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 1bgm_1_K 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 SEMDFCIELG DATA SEQUENCE NKRWQFNRQS GFLSQMWIGD KKQLLTPLRD QFTRAPLDND IGVSEATRID DATA SEQUENCE PNAWVERWKA AGHYQAEAAL LQCTADTLAD AVLITTAHAW QHQGKTLFIS DATA SEQUENCE RKTYRIDGSG QMAITVDVEV ASDTPHPARI GLNCQLAQVA ERVNWLGLGP DATA SEQUENCE QENYPDRLTA ACFDRWDLPL SDMYTPYVFP SENGLRCGTR ELNYGPHQWR DATA SEQUENCE GDFQFNISRY SQQQLMETSH RHLLHAEEGT WLNIDGFHMG IGGDDSWSPS DATA SEQUENCE VSAEFQLSAG RYHYQLVWCQ 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 0.000 176.143 176.117 0.043 0.000 1.063 3 I CA 0.000 61.325 61.300 0.041 0.000 1.566 3 I CB 0.000 38.012 38.000 0.020 0.000 1.214 4 T N -2.145 112.437 114.554 0.047 0.000 3.163 4 T HA 0.121 4.471 4.350 -0.000 0.000 0.260 4 T C 0.796 175.532 174.700 0.060 0.000 1.156 4 T CA 1.358 63.471 62.100 0.023 0.000 1.072 4 T CB -0.539 68.341 68.868 0.019 0.000 0.937 4 T HN 0.393 nan 8.240 nan 0.000 0.528 5 D N 1.616 122.111 120.400 0.158 0.000 2.389 5 D HA 0.116 4.756 4.640 -0.000 0.000 0.206 5 D C 0.872 177.386 176.300 0.356 0.000 1.055 5 D CA 0.125 54.334 54.000 0.349 0.000 0.856 5 D CB 0.189 41.230 40.800 0.401 0.000 0.957 5 D HN 0.534 nan 8.370 nan 0.000 0.509 6 S N 0.886 116.679 115.700 0.155 0.000 2.515 6 S HA -0.018 4.452 4.470 -0.000 0.000 0.285 6 S C 1.450 176.102 174.600 0.086 0.000 1.265 6 S CA -0.532 57.718 58.200 0.083 0.000 1.079 6 S CB 0.558 63.776 63.200 0.030 0.000 0.877 6 S HN -0.053 nan 8.310 nan 0.000 0.493 7 L N 4.911 126.167 121.223 0.055 0.000 2.034 7 L HA -0.187 4.153 4.340 -0.000 0.000 0.217 7 L C 2.953 179.847 176.870 0.039 0.000 1.077 7 L CA 2.561 57.437 54.840 0.059 0.000 0.769 7 L CB -1.678 40.359 42.059 -0.036 0.000 0.890 7 L HN 0.982 nan 8.230 nan 0.000 0.435 8 A N -1.341 121.485 122.820 0.010 0.000 1.940 8 A HA -0.236 4.084 4.320 -0.000 0.000 0.221 8 A C 2.389 179.964 177.584 -0.014 0.000 1.190 8 A CA 2.539 54.576 52.037 0.001 0.000 0.647 8 A CB -1.006 17.991 19.000 -0.005 0.000 0.821 8 A HN 0.261 nan 8.150 nan 0.000 0.457 9 V N -0.795 119.102 119.914 -0.028 0.000 2.283 9 V HA -0.163 3.957 4.120 -0.000 0.000 0.239 9 V C 2.537 178.543 176.094 -0.148 0.000 1.035 9 V CA 1.525 63.778 62.300 -0.077 0.000 1.018 9 V CB -0.799 30.979 31.823 -0.074 0.000 0.658 9 V HN 0.388 nan 8.190 nan 0.000 0.459 10 V N 1.010 120.811 119.914 -0.189 0.000 2.218 10 V HA -0.364 3.756 4.120 -0.000 0.000 0.251 10 V C 2.292 178.232 176.094 -0.258 0.000 1.057 10 V CA 2.600 64.657 62.300 -0.406 0.000 1.022 10 V CB -1.163 30.366 31.823 -0.490 0.000 0.645 10 V HN 0.519 nan 8.190 nan 0.000 0.451 11 L N 0.306 121.497 121.223 -0.053 0.000 2.556 11 L HA -0.246 4.094 4.340 -0.000 0.000 0.230 11 L C 2.515 179.380 176.870 -0.008 0.000 1.163 11 L CA 1.704 56.617 54.840 0.122 0.000 0.819 11 L CB -0.942 41.307 42.059 0.318 0.000 0.939 11 L HN 0.514 nan 8.230 nan 0.000 0.452 12 Q N 0.826 120.575 119.800 -0.085 0.000 2.224 12 Q HA -0.142 4.198 4.340 -0.000 0.000 0.203 12 Q C 2.274 178.176 176.000 -0.162 0.000 0.970 12 Q CA 1.230 56.976 55.803 -0.095 0.000 0.865 12 Q CB -0.060 28.629 28.738 -0.081 0.000 0.922 12 Q HN 0.303 nan 8.270 nan 0.000 0.445 13 R N 0.230 120.592 120.500 -0.229 0.000 2.148 13 R HA 0.073 4.413 4.340 -0.000 0.000 0.227 13 R C 0.072 176.129 176.300 -0.403 0.000 1.103 13 R CA 0.753 56.687 56.100 -0.277 0.000 0.983 13 R CB 0.021 30.159 30.300 -0.270 0.000 0.874 13 R HN 0.278 nan 8.270 nan 0.000 0.451 14 R N 1.191 121.292 120.500 -0.665 0.000 3.205 14 R HA -0.135 4.205 4.340 -0.000 0.000 0.249 14 R C -0.467 175.208 176.300 -1.043 0.000 0.937 14 R CA 0.402 55.728 56.100 -1.290 0.000 0.641 14 R CB -1.099 28.775 30.300 -0.710 0.000 1.114 14 R HN 0.289 nan 8.270 nan 0.000 0.451 15 D N -0.511 119.397 120.400 -0.821 0.000 2.350 15 D HA -0.141 4.499 4.640 -0.000 0.000 0.216 15 D C 1.568 177.743 176.300 -0.208 0.000 0.968 15 D CA 1.294 55.007 54.000 -0.480 0.000 0.894 15 D CB -0.115 40.303 40.800 -0.636 0.000 0.909 15 D HN 0.700 nan 8.370 nan 0.000 0.520 16 W N 1.178 122.514 121.300 0.060 0.000 3.047 16 W HA 0.207 4.867 4.660 -0.000 0.000 0.250 16 W C 0.553 177.176 176.519 0.174 0.000 1.314 16 W CA -0.134 57.322 57.345 0.185 0.000 1.540 16 W CB -0.347 29.243 29.460 0.216 0.000 1.127 16 W HN -0.157 nan 8.180 nan 0.000 0.679 17 E N 0.957 121.064 120.200 -0.154 0.000 2.736 17 E HA 0.084 4.434 4.350 -0.000 0.000 0.208 17 E C -0.522 176.027 176.600 -0.085 0.000 0.996 17 E CA -0.177 56.236 56.400 0.023 0.000 1.104 17 E CB -0.230 29.550 29.700 0.133 0.000 1.111 17 E HN 0.022 nan 8.360 nan 0.000 0.455 18 N N 1.552 120.194 118.700 -0.097 0.000 2.549 18 N HA 0.152 4.891 4.740 -0.000 0.000 0.281 18 N C -2.269 173.144 175.510 -0.161 0.000 1.084 18 N CA -2.081 50.875 53.050 -0.157 0.000 0.862 18 N CB 1.745 40.135 38.487 -0.161 0.000 1.333 18 N HN -0.175 nan 8.380 nan 0.000 0.523 19 P HA 0.076 nan 4.420 nan 0.000 0.233 19 P C 1.122 178.203 177.300 -0.365 0.000 1.167 19 P CA 0.522 63.337 63.100 -0.475 0.000 0.770 19 P CB 0.301 31.326 31.700 -1.125 0.000 0.837 20 G N 0.317 108.951 108.800 -0.277 0.000 2.394 20 G HA2 -0.042 3.918 3.960 -0.000 0.000 0.215 20 G HA3 -0.042 3.918 3.960 -0.000 0.000 0.215 20 G C 0.391 175.220 174.900 -0.118 0.000 1.165 20 G CA 0.296 45.277 45.100 -0.200 0.000 0.784 20 G HN 0.219 nan 8.290 nan 0.000 0.535 21 V N 1.660 121.526 119.914 -0.079 0.000 2.333 21 V HA 0.460 4.580 4.120 -0.000 0.000 0.274 21 V C 0.916 177.071 176.094 0.102 0.000 1.028 21 V CA 0.289 62.593 62.300 0.007 0.000 0.851 21 V CB 0.765 32.580 31.823 -0.013 0.000 1.000 21 V HN 0.344 nan 8.190 nan 0.000 0.456 22 T N 0.596 115.201 114.554 0.085 0.000 2.975 22 T HA 0.327 4.677 4.350 -0.000 0.000 0.257 22 T C 0.330 175.043 174.700 0.022 0.000 1.003 22 T CA 0.319 62.459 62.100 0.066 0.000 0.932 22 T CB 0.383 69.249 68.868 -0.003 0.000 1.087 22 T HN 0.739 nan 8.240 nan 0.000 0.512 23 Q N 0.247 120.095 119.800 0.080 0.000 2.590 23 Q HA 0.754 5.094 4.340 -0.000 0.000 0.295 23 Q C -2.334 173.778 176.000 0.187 0.000 0.973 23 Q CA -1.067 54.770 55.803 0.056 0.000 0.768 23 Q CB 1.236 29.949 28.738 -0.042 0.000 1.479 23 Q HN 0.094 nan 8.270 nan 0.000 0.419 24 L N 2.586 123.938 121.223 0.215 0.000 2.737 24 L HA 0.465 4.804 4.340 -0.000 0.000 0.261 24 L C -1.144 175.866 176.870 0.233 0.000 0.949 24 L CA 0.060 55.062 54.840 0.271 0.000 0.952 24 L CB 1.591 43.935 42.059 0.474 0.000 1.337 24 L HN 0.854 nan 8.230 nan 0.000 0.430 25 N N 0.892 119.683 118.700 0.151 0.000 2.800 25 N HA -0.207 4.532 4.740 -0.000 0.000 0.250 25 N C 0.436 175.977 175.510 0.051 0.000 1.078 25 N CA 0.681 53.809 53.050 0.129 0.000 0.804 25 N CB -0.682 37.885 38.487 0.132 0.000 1.135 25 N HN 0.614 nan 8.380 nan 0.000 0.565 26 R N 0.960 121.382 120.500 -0.131 0.000 2.390 26 R HA 0.352 4.692 4.340 -0.000 0.000 0.291 26 R C 0.926 177.055 176.300 -0.284 0.000 1.070 26 R CA -0.335 55.461 56.100 -0.507 0.000 1.014 26 R CB 0.632 30.656 30.300 -0.461 0.000 1.007 26 R HN 0.118 nan 8.270 nan 0.000 0.466 27 L N 1.951 122.992 121.223 -0.303 0.000 2.464 27 L HA 0.242 4.582 4.340 -0.000 0.000 0.224 27 L C 0.738 177.556 176.870 -0.086 0.000 1.219 27 L CA -0.441 54.328 54.840 -0.119 0.000 0.831 27 L CB 0.220 42.252 42.059 -0.045 0.000 1.284 27 L HN 0.659 nan 8.230 nan 0.000 0.522 28 A N 0.103 122.923 122.820 -0.001 0.000 2.302 28 A HA 0.631 4.951 4.320 -0.000 0.000 0.285 28 A C -0.040 177.574 177.584 0.050 0.000 1.105 28 A CA -0.305 51.743 52.037 0.018 0.000 0.816 28 A CB 0.685 19.718 19.000 0.055 0.000 1.067 28 A HN 0.719 nan 8.150 nan 0.000 0.489 29 A N 1.207 124.005 122.820 -0.036 0.000 2.388 29 A HA 0.655 4.975 4.320 -0.000 0.000 0.257 29 A C 0.032 177.558 177.584 -0.097 0.000 1.095 29 A CA 0.311 52.259 52.037 -0.149 0.000 0.791 29 A CB -0.233 18.676 19.000 -0.152 0.000 1.029 29 A HN 1.666 nan 8.150 nan 0.000 0.489 30 H N -0.927 118.022 119.070 -0.201 0.000 2.932 30 H HA 0.688 5.244 4.556 -0.000 0.000 0.307 30 H C -3.341 171.723 175.328 -0.441 0.000 1.391 30 H CA -2.033 53.836 56.048 -0.299 0.000 1.130 30 H CB 0.224 29.750 29.762 -0.392 0.000 1.836 30 H HN 0.364 nan 8.280 nan 0.000 0.522 31 P HA 0.157 nan 4.420 nan 0.000 0.272 31 P C -2.528 174.543 177.300 -0.381 0.000 1.230 31 P CA -1.299 61.570 63.100 -0.384 0.000 0.788 31 P CB -0.354 31.051 31.700 -0.491 0.000 0.949 32 P HA 0.021 nan 4.420 nan 0.000 0.265 32 P C -0.938 176.431 177.300 0.114 0.000 1.187 32 P CA 0.862 63.925 63.100 -0.061 0.000 0.766 32 P CB 0.013 31.742 31.700 0.048 0.000 0.820 33 F N 0.667 120.755 119.950 0.229 0.000 2.532 33 F HA 0.550 5.077 4.527 -0.000 0.000 0.321 33 F C 1.019 176.812 175.800 -0.012 0.000 1.089 33 F CA -1.169 56.907 58.000 0.128 0.000 0.926 33 F CB 1.494 40.513 39.000 0.032 0.000 1.168 33 F HN 0.369 nan 8.300 nan 0.000 0.459 34 A N 0.907 123.776 122.820 0.082 0.000 2.026 34 A HA 0.334 4.654 4.320 -0.000 0.000 0.201 34 A C 0.828 178.219 177.584 -0.321 0.000 1.318 34 A CA 0.755 52.591 52.037 -0.336 0.000 0.857 34 A CB -0.378 17.909 19.000 -1.189 0.000 0.939 34 A HN 1.073 nan 8.150 nan 0.000 0.476 35 S N -0.323 115.282 115.700 -0.158 0.000 3.766 35 S HA -0.121 4.349 4.470 -0.000 0.000 0.416 35 S C -0.202 174.371 174.600 -0.045 0.000 0.902 35 S CA 0.266 58.401 58.200 -0.109 0.000 1.283 35 S CB -1.845 61.256 63.200 -0.165 0.000 0.891 35 S HN 0.445 nan 8.310 nan 0.000 0.556 36 W N 2.280 123.576 121.300 -0.007 0.000 2.126 36 W HA 0.302 4.962 4.660 -0.000 0.000 0.346 36 W C 1.640 178.157 176.519 -0.003 0.000 1.279 36 W CA -0.587 56.764 57.345 0.011 0.000 1.259 36 W CB 0.345 29.812 29.460 0.011 0.000 1.133 36 W HN 0.450 nan 8.180 nan 0.000 0.592 37 R N 0.743 121.404 120.500 0.269 0.000 2.446 37 R HA 0.046 4.385 4.340 -0.000 0.000 0.254 37 R C -0.213 176.169 176.300 0.137 0.000 0.918 37 R CA -0.150 56.044 56.100 0.156 0.000 1.069 37 R CB 0.233 30.605 30.300 0.119 0.000 1.194 37 R HN 0.298 nan 8.270 nan 0.000 0.534 38 N N 0.588 119.394 118.700 0.177 0.000 2.354 38 N HA 0.032 4.772 4.740 -0.000 0.000 0.287 38 N C 0.659 176.165 175.510 -0.007 0.000 1.016 38 N CA -0.138 52.965 53.050 0.089 0.000 0.871 38 N CB 1.974 40.509 38.487 0.081 0.000 1.299 38 N HN -0.137 nan 8.380 nan 0.000 0.482 39 S N 2.985 118.657 115.700 -0.047 0.000 2.353 39 S HA -0.166 4.304 4.470 -0.000 0.000 0.222 39 S C 1.226 175.691 174.600 -0.225 0.000 1.035 39 S CA 1.462 59.592 58.200 -0.115 0.000 1.025 39 S CB -0.399 62.770 63.200 -0.052 0.000 0.902 39 S HN 0.708 nan 8.310 nan 0.000 0.440 40 E N 0.682 120.778 120.200 -0.172 0.000 2.023 40 E HA -0.169 4.181 4.350 -0.000 0.000 0.196 40 E C 2.322 178.744 176.600 -0.296 0.000 1.003 40 E CA 1.478 57.740 56.400 -0.229 0.000 0.809 40 E CB -0.309 29.296 29.700 -0.158 0.000 0.755 40 E HN 0.666 nan 8.360 nan 0.000 0.449 41 E N 0.272 120.347 120.200 -0.208 0.000 2.113 41 E HA -0.307 4.043 4.350 -0.000 0.000 0.210 41 E C 2.068 178.229 176.600 -0.732 0.000 1.040 41 E CA 1.382 57.668 56.400 -0.189 0.000 0.847 41 E CB -0.251 29.515 29.700 0.110 0.000 0.755 41 E HN 0.247 nan 8.360 nan 0.000 0.459 42 A N 1.361 123.345 122.820 -1.394 0.000 1.902 42 A HA -0.235 4.085 4.320 -0.000 0.000 0.217 42 A C 2.125 179.003 177.584 -1.177 0.000 1.181 42 A CA 1.748 52.374 52.037 -2.353 0.000 0.623 42 A CB -0.565 17.615 19.000 -1.366 0.000 0.818 42 A HN 0.159 nan 8.150 nan 0.000 0.443 43 R N -0.095 120.002 120.500 -0.672 0.000 2.073 43 R HA -0.134 4.206 4.340 -0.000 0.000 0.234 43 R C 1.833 177.891 176.300 -0.402 0.000 1.134 43 R CA 2.094 57.893 56.100 -0.503 0.000 0.952 43 R CB -0.577 29.376 30.300 -0.579 0.000 0.850 43 R HN 0.588 nan 8.270 nan 0.000 0.433 44 T N -1.954 112.390 114.554 -0.350 0.000 3.219 44 T HA 0.038 4.388 4.350 -0.000 0.000 0.249 44 T C 0.377 175.014 174.700 -0.105 0.000 1.099 44 T CA 0.466 62.442 62.100 -0.206 0.000 0.988 44 T CB 0.049 68.817 68.868 -0.167 0.000 0.999 44 T HN 0.364 nan 8.240 nan 0.000 0.550 45 D N 1.234 121.547 120.400 -0.146 0.000 3.039 45 D HA -0.179 4.461 4.640 -0.000 0.000 0.222 45 D C 0.004 176.488 176.300 0.307 0.000 1.179 45 D CA 0.497 54.554 54.000 0.095 0.000 0.880 45 D CB -0.973 39.906 40.800 0.131 0.000 1.115 45 D HN 0.602 nan 8.370 nan 0.000 0.416 46 R N 0.225 120.867 120.500 0.236 0.000 2.756 46 R HA 0.207 4.547 4.340 -0.000 0.000 0.264 46 R C -2.088 174.526 176.300 0.522 0.000 1.026 46 R CA -0.655 55.629 56.100 0.306 0.000 1.121 46 R CB -0.325 30.107 30.300 0.220 0.000 0.999 46 R HN 0.195 nan 8.270 nan 0.000 0.449 47 P HA -0.013 nan 4.420 nan 0.000 0.271 47 P C -0.360 176.992 177.300 0.087 0.000 1.216 47 P CA 0.005 63.198 63.100 0.154 0.000 0.771 47 P CB 0.921 32.681 31.700 0.101 0.000 0.864 48 S N 2.350 117.933 115.700 -0.194 0.000 2.489 48 S HA 0.125 4.595 4.470 -0.000 0.000 0.291 48 S C 1.188 175.746 174.600 -0.069 0.000 1.151 48 S CA -0.564 57.483 58.200 -0.254 0.000 1.082 48 S CB 0.661 63.410 63.200 -0.751 0.000 1.019 48 S HN 0.385 nan 8.310 nan 0.000 0.492 49 Q N 2.469 122.294 119.800 0.042 0.000 2.437 49 Q HA -0.116 4.224 4.340 -0.000 0.000 0.210 49 Q C 0.920 177.072 176.000 0.253 0.000 0.972 49 Q CA 0.915 56.793 55.803 0.126 0.000 0.903 49 Q CB -0.342 28.480 28.738 0.139 0.000 0.967 49 Q HN 0.699 nan 8.270 nan 0.000 0.486 50 Q N 0.256 120.154 119.800 0.164 0.000 2.472 50 Q HA 0.073 4.413 4.340 -0.000 0.000 0.208 50 Q C -0.199 175.908 176.000 0.178 0.000 0.958 50 Q CA 0.423 56.348 55.803 0.203 0.000 0.932 50 Q CB 0.242 28.981 28.738 0.001 0.000 1.007 50 Q HN 0.159 nan 8.270 nan 0.000 0.508 51 L N 0.567 121.863 121.223 0.122 0.000 2.296 51 L HA 0.432 4.772 4.340 -0.000 0.000 0.286 51 L C -1.006 175.958 176.870 0.157 0.000 1.023 51 L CA -0.304 54.594 54.840 0.098 0.000 0.812 51 L CB 1.196 43.235 42.059 -0.034 0.000 1.223 51 L HN -0.104 nan 8.230 nan 0.000 0.421 52 R N 2.849 123.462 120.500 0.189 0.000 2.513 52 R HA 0.464 4.804 4.340 -0.000 0.000 0.301 52 R C -0.797 175.543 176.300 0.066 0.000 0.968 52 R CA -0.556 55.624 56.100 0.132 0.000 0.872 52 R CB 2.070 32.471 30.300 0.168 0.000 1.177 52 R HN 0.720 nan 8.270 nan 0.000 0.444 53 S N 2.344 118.069 115.700 0.042 0.000 2.584 53 S HA 0.346 4.816 4.470 -0.000 0.000 0.273 53 S C 0.804 175.421 174.600 0.029 0.000 1.311 53 S CA -0.424 57.794 58.200 0.030 0.000 1.034 53 S CB 0.588 63.811 63.200 0.038 0.000 0.939 53 S HN 0.519 nan 8.310 nan 0.000 0.513 54 L N 2.745 123.996 121.223 0.046 0.000 3.069 54 L HA 0.307 4.647 4.340 -0.000 0.000 0.271 54 L C -0.143 176.935 176.870 0.346 0.000 1.201 54 L CA -0.376 54.528 54.840 0.105 0.000 1.015 54 L CB -0.186 41.891 42.059 0.030 0.000 1.371 54 L HN 0.436 nan 8.230 nan 0.000 0.574 55 N N 1.809 120.625 118.700 0.192 0.000 2.454 55 N HA 0.452 5.192 4.740 -0.000 0.000 0.254 55 N C 0.631 176.303 175.510 0.270 0.000 1.228 55 N CA 1.024 54.182 53.050 0.180 0.000 0.900 55 N CB 1.263 39.786 38.487 0.061 0.000 1.089 55 N HN 0.351 nan 8.380 nan 0.000 0.449 56 G N 0.685 109.673 108.800 0.313 0.000 2.347 56 G HA2 -0.050 3.910 3.960 -0.000 0.000 0.224 56 G HA3 -0.050 3.910 3.960 -0.000 0.000 0.224 56 G C -1.465 173.717 174.900 0.470 0.000 1.318 56 G CA -0.840 44.448 45.100 0.313 0.000 1.016 56 G HN 0.458 nan 8.290 nan 0.000 0.469 57 E N 0.025 120.441 120.200 0.360 0.000 2.299 57 E HA 0.398 4.748 4.350 -0.000 0.000 0.272 57 E C -1.198 175.672 176.600 0.449 0.000 1.043 57 E CA 0.292 56.893 56.400 0.334 0.000 0.895 57 E CB 0.629 30.435 29.700 0.177 0.000 1.011 57 E HN 0.337 nan 8.360 nan 0.000 0.432 58 W N 2.040 123.424 121.300 0.141 0.000 3.032 58 W HA 0.331 4.991 4.660 -0.000 0.000 0.335 58 W C 0.081 176.715 176.519 0.192 0.000 1.154 58 W CA -0.786 56.670 57.345 0.185 0.000 1.204 58 W CB 0.928 30.546 29.460 0.265 0.000 1.416 58 W HN 0.265 nan 8.180 nan 0.000 0.521 59 R N 1.518 122.249 120.500 0.386 0.000 2.679 59 R HA 0.559 4.898 4.340 -0.000 0.000 0.269 59 R C -1.070 175.440 176.300 0.350 0.000 1.076 59 R CA -0.285 56.002 56.100 0.311 0.000 1.160 59 R CB 0.724 31.163 30.300 0.231 0.000 1.054 59 R HN 0.450 nan 8.270 nan 0.000 0.507 60 F N -0.557 119.411 119.950 0.030 0.000 2.641 60 F HA 0.564 5.091 4.527 -0.000 0.000 0.308 60 F C -1.701 173.964 175.800 -0.226 0.000 1.105 60 F CA -0.547 57.329 58.000 -0.205 0.000 0.964 60 F CB 1.968 40.730 39.000 -0.397 0.000 1.294 60 F HN 0.627 nan 8.300 nan 0.000 0.442 61 A N 3.518 125.621 122.820 -1.195 0.000 2.547 61 A HA 0.587 4.907 4.320 -0.000 0.000 0.297 61 A C -2.553 174.361 177.584 -1.116 0.000 1.056 61 A CA -0.510 51.074 52.037 -0.755 0.000 0.688 61 A CB 0.762 19.566 19.000 -0.328 0.000 1.282 61 A HN 0.964 nan 8.150 nan 0.000 0.400 62 W N 2.011 122.765 121.300 -0.909 0.000 2.606 62 W HA 0.797 5.457 4.660 -0.000 0.000 0.332 62 W C -1.954 174.022 176.519 -0.904 0.000 1.052 62 W CA -0.485 56.407 57.345 -0.755 0.000 1.223 62 W CB 1.443 30.666 29.460 -0.395 0.000 1.383 62 W HN 0.502 nan 8.180 nan 0.000 0.524 63 F N 5.755 125.140 119.950 -0.941 0.000 2.581 63 F HA 0.306 4.833 4.527 -0.000 0.000 0.311 63 F C -1.415 173.723 175.800 -1.103 0.000 1.113 63 F CA -2.364 55.223 58.000 -0.689 0.000 0.935 63 F CB 1.634 40.354 39.000 -0.466 0.000 1.232 63 F HN 0.181 nan 8.300 nan 0.000 0.445 64 P HA -0.027 nan 4.420 nan 0.000 0.223 64 P C -0.136 177.082 177.300 -0.138 0.000 1.144 64 P CA 1.162 64.140 63.100 -0.204 0.000 0.783 64 P CB 0.513 32.285 31.700 0.120 0.000 0.771 65 A N -1.091 121.647 122.820 -0.137 0.000 2.594 65 A HA 0.516 4.836 4.320 -0.000 0.000 0.296 65 A C -2.321 175.157 177.584 -0.176 0.000 1.061 65 A CA -1.154 50.815 52.037 -0.115 0.000 0.689 65 A CB 0.735 19.721 19.000 -0.023 0.000 1.280 65 A HN -0.264 nan 8.150 nan 0.000 0.406 66 P HA -0.206 nan 4.420 nan 0.000 0.216 66 P C 0.648 177.839 177.300 -0.181 0.000 1.150 66 P CA 1.689 64.638 63.100 -0.251 0.000 0.837 66 P CB -0.020 31.516 31.700 -0.273 0.000 0.786 67 E N -0.296 119.854 120.200 -0.083 0.000 2.533 67 E HA 0.087 4.437 4.350 -0.000 0.000 0.201 67 E C 1.315 177.878 176.600 -0.061 0.000 1.097 67 E CA 0.543 56.923 56.400 -0.032 0.000 0.887 67 E CB -0.457 29.261 29.700 0.030 0.000 0.855 67 E HN 0.267 nan 8.360 nan 0.000 0.540 68 A N 0.827 123.573 122.820 -0.124 0.000 2.469 68 A HA 0.228 4.548 4.320 -0.000 0.000 0.245 68 A C 0.731 178.154 177.584 -0.268 0.000 1.221 68 A CA -0.368 51.625 52.037 -0.073 0.000 0.946 68 A CB 0.598 19.646 19.000 0.079 0.000 1.049 68 A HN 0.063 nan 8.150 nan 0.000 0.529 69 V N 2.458 122.081 119.914 -0.485 0.000 2.811 69 V HA 0.246 4.366 4.120 -0.000 0.000 0.302 69 V C -2.285 173.614 176.094 -0.325 0.000 1.063 69 V CA -1.021 60.845 62.300 -0.724 0.000 1.088 69 V CB 0.820 32.258 31.823 -0.642 0.000 0.982 69 V HN 0.344 nan 8.190 nan 0.000 0.485 70 P HA 0.383 nan 4.420 nan 0.000 0.301 70 P C 0.291 177.575 177.300 -0.026 0.000 1.348 70 P CA -0.549 62.504 63.100 -0.080 0.000 0.826 70 P CB 1.770 33.466 31.700 -0.007 0.000 0.945 71 E N 2.291 122.465 120.200 -0.042 0.000 2.136 71 E HA -0.267 4.083 4.350 -0.000 0.000 0.208 71 E C 1.653 178.223 176.600 -0.049 0.000 1.035 71 E CA 2.539 58.905 56.400 -0.057 0.000 0.838 71 E CB -0.644 29.029 29.700 -0.045 0.000 0.748 71 E HN 0.411 nan 8.360 nan 0.000 0.459 72 S N -0.299 115.395 115.700 -0.009 0.000 2.393 72 S HA -0.289 4.181 4.470 -0.000 0.000 0.234 72 S C 1.496 176.100 174.600 0.007 0.000 1.064 72 S CA 1.446 59.649 58.200 0.004 0.000 1.088 72 S CB -1.055 62.169 63.200 0.039 0.000 0.939 72 S HN 0.560 nan 8.310 nan 0.000 0.448 73 W N 2.520 123.733 121.300 -0.145 0.000 2.276 73 W HA -0.233 4.427 4.660 -0.000 0.000 0.307 73 W C 1.679 178.088 176.519 -0.184 0.000 1.240 73 W CA 1.482 58.729 57.345 -0.163 0.000 1.249 73 W CB -0.752 28.573 29.460 -0.225 0.000 1.140 73 W HN 0.315 nan 8.180 nan 0.000 0.519 74 L N -0.253 120.675 121.223 -0.491 0.000 2.141 74 L HA -0.147 4.193 4.340 -0.000 0.000 0.209 74 L C 2.485 179.115 176.870 -0.400 0.000 1.094 74 L CA 1.441 55.889 54.840 -0.655 0.000 0.763 74 L CB -0.802 40.918 42.059 -0.565 0.000 0.908 74 L HN -0.051 nan 8.230 nan 0.000 0.437 75 E N -0.945 119.110 120.200 -0.241 0.000 2.132 75 E HA 0.109 4.459 4.350 -0.000 0.000 0.193 75 E C 0.318 176.849 176.600 -0.115 0.000 0.951 75 E CA 0.439 56.754 56.400 -0.142 0.000 0.843 75 E CB 0.408 30.060 29.700 -0.081 0.000 0.807 75 E HN 0.375 nan 8.360 nan 0.000 0.467 76 C N 1.930 121.180 119.300 -0.083 0.000 2.563 76 C HA 0.380 4.840 4.460 -0.000 0.000 0.314 76 C C 0.038 175.056 174.990 0.046 0.000 1.199 76 C CA -1.367 57.637 59.018 -0.022 0.000 1.564 76 C CB 1.673 29.418 27.740 0.007 0.000 2.173 76 C HN 0.209 nan 8.230 nan 0.000 0.485 77 D N 1.569 122.008 120.400 0.065 0.000 2.423 77 D HA 0.201 4.841 4.640 -0.000 0.000 0.238 77 D C -0.108 176.283 176.300 0.152 0.000 1.142 77 D CA 0.435 54.525 54.000 0.149 0.000 0.884 77 D CB 0.736 41.607 40.800 0.120 0.000 1.199 77 D HN 0.398 nan 8.370 nan 0.000 0.438 78 L N 4.077 125.416 121.223 0.193 0.000 2.397 78 L HA 0.136 4.476 4.340 -0.000 0.000 0.271 78 L C -0.883 176.046 176.870 0.098 0.000 1.148 78 L CA -1.466 53.458 54.840 0.140 0.000 0.825 78 L CB 0.388 42.532 42.059 0.140 0.000 1.117 78 L HN 0.275 nan 8.230 nan 0.000 0.456 79 P HA -0.179 nan 4.420 nan 0.000 0.214 79 P C 0.347 177.681 177.300 0.056 0.000 1.163 79 P CA 1.237 64.372 63.100 0.058 0.000 0.883 79 P CB -0.001 31.728 31.700 0.048 0.000 0.788 80 E N 0.017 120.249 120.200 0.053 0.000 2.594 80 E HA 0.483 4.833 4.350 -0.000 0.000 0.300 80 E C 0.080 176.706 176.600 0.043 0.000 1.568 80 E CA -0.552 55.873 56.400 0.041 0.000 1.811 80 E CB -0.527 29.188 29.700 0.025 0.000 1.458 80 E HN 0.177 nan 8.360 nan 0.000 0.470 81 A N 1.211 124.070 122.820 0.065 0.000 2.386 81 A HA 0.595 4.915 4.320 -0.000 0.000 0.308 81 A C -1.009 176.641 177.584 0.110 0.000 1.128 81 A CA -1.014 51.070 52.037 0.078 0.000 0.789 81 A CB 1.196 20.250 19.000 0.090 0.000 1.325 81 A HN 0.226 nan 8.150 nan 0.000 0.437 82 D N 0.049 120.544 120.400 0.159 0.000 2.374 82 D HA 0.541 5.181 4.640 -0.000 0.000 0.239 82 D C -0.438 175.964 176.300 0.169 0.000 0.991 82 D CA -0.126 53.969 54.000 0.160 0.000 0.960 82 D CB 1.394 42.314 40.800 0.201 0.000 1.284 82 D HN 0.357 nan 8.370 nan 0.000 0.512 83 T N 0.296 114.929 114.554 0.131 0.000 2.913 83 T HA 0.545 4.895 4.350 -0.000 0.000 0.287 83 T C -0.063 174.719 174.700 0.137 0.000 1.008 83 T CA -0.309 61.879 62.100 0.146 0.000 1.067 83 T CB 0.940 69.879 68.868 0.117 0.000 0.996 83 T HN 0.074 nan 8.240 nan 0.000 0.513 84 V N 1.840 121.864 119.914 0.183 0.000 3.178 84 V HA 0.438 4.558 4.120 -0.000 0.000 0.302 84 V C -0.573 175.642 176.094 0.202 0.000 1.262 84 V CA -0.878 61.513 62.300 0.151 0.000 1.030 84 V CB 2.507 34.409 31.823 0.132 0.000 1.074 84 V HN 0.656 nan 8.190 nan 0.000 0.438 85 V N 2.172 122.186 119.914 0.167 0.000 2.617 85 V HA 0.738 4.858 4.120 -0.000 0.000 0.298 85 V C -0.462 175.686 176.094 0.090 0.000 1.048 85 V CA -0.349 62.036 62.300 0.143 0.000 0.964 85 V CB 1.853 33.739 31.823 0.105 0.000 1.004 85 V HN 0.585 nan 8.190 nan 0.000 0.466 86 V N 4.867 124.767 119.914 -0.023 0.000 2.851 86 V HA 0.444 4.564 4.120 -0.000 0.000 0.307 86 V C -2.435 173.558 176.094 -0.168 0.000 1.129 86 V CA -1.475 60.712 62.300 -0.189 0.000 0.932 86 V CB 2.972 34.411 31.823 -0.639 0.000 1.024 86 V HN 0.775 nan 8.190 nan 0.000 0.426 87 P HA 0.398 nan 4.420 nan 0.000 0.272 87 P C -0.851 176.416 177.300 -0.055 0.000 1.240 87 P CA 0.019 63.040 63.100 -0.132 0.000 0.791 87 P CB 1.027 32.663 31.700 -0.107 0.000 0.978 88 S N -0.834 114.865 115.700 -0.002 0.000 2.608 88 S HA 0.251 4.721 4.470 -0.000 0.000 0.285 88 S C -1.384 173.205 174.600 -0.020 0.000 1.108 88 S CA -1.051 57.138 58.200 -0.019 0.000 0.858 88 S CB -0.307 62.890 63.200 -0.005 0.000 1.077 88 S HN 0.332 nan 8.310 nan 0.000 0.450 89 N N 1.942 120.563 118.700 -0.132 0.000 2.408 89 N HA 0.329 5.069 4.740 -0.000 0.000 0.257 89 N C 0.940 176.323 175.510 -0.212 0.000 1.064 89 N CA -0.467 52.469 53.050 -0.190 0.000 0.952 89 N CB 0.392 38.725 38.487 -0.257 0.000 1.093 89 N HN 0.811 nan 8.380 nan 0.000 0.490 90 W N 3.600 124.814 121.300 -0.144 0.000 2.313 90 W HA -0.247 4.413 4.660 -0.000 0.000 0.293 90 W C 1.122 177.617 176.519 -0.039 0.000 1.216 90 W CA 1.197 58.464 57.345 -0.130 0.000 1.223 90 W CB -0.491 28.928 29.460 -0.069 0.000 1.138 90 W HN 0.519 nan 8.180 nan 0.000 0.535 91 Q N 0.318 120.113 119.800 -0.009 0.000 2.124 91 Q HA -0.132 4.207 4.340 -0.000 0.000 0.202 91 Q C 2.088 178.044 176.000 -0.073 0.000 0.977 91 Q CA 2.071 57.861 55.803 -0.023 0.000 0.850 91 Q CB -0.684 27.925 28.738 -0.215 0.000 0.901 91 Q HN 0.256 nan 8.270 nan 0.000 0.429 92 M N 0.277 119.770 119.600 -0.177 0.000 2.788 92 M HA -0.042 4.438 4.480 -0.000 0.000 0.224 92 M C -0.040 176.257 176.300 -0.005 0.000 1.078 92 M CA 1.039 56.239 55.300 -0.167 0.000 1.046 92 M CB -0.400 32.054 32.600 -0.243 0.000 1.690 92 M HN 0.187 nan 8.290 nan 0.000 0.532 93 H N -1.283 117.807 119.070 0.032 0.000 3.182 93 H HA 0.383 4.939 4.556 -0.000 0.000 0.254 93 H C 1.472 176.655 175.328 -0.241 0.000 1.197 93 H CA 0.109 56.141 56.048 -0.027 0.000 1.061 93 H CB 0.310 30.134 29.762 0.104 0.000 1.722 93 H HN 0.452 nan 8.280 nan 0.000 0.662 94 G N 0.671 109.450 108.800 -0.035 0.000 2.184 94 G HA2 -0.422 3.538 3.960 -0.000 0.000 0.264 94 G HA3 -0.422 3.538 3.960 -0.000 0.000 0.264 94 G C 0.926 175.667 174.900 -0.265 0.000 0.975 94 G CA 0.704 45.711 45.100 -0.154 0.000 0.642 94 G HN 0.443 nan 8.290 nan 0.000 0.536 95 Y N 1.778 122.035 120.300 -0.071 0.000 2.256 95 Y HA 0.170 4.720 4.550 -0.000 0.000 0.288 95 Y C 1.783 177.416 175.900 -0.445 0.000 1.155 95 Y CA 1.786 59.694 58.100 -0.321 0.000 1.203 95 Y CB 0.079 38.375 38.460 -0.272 0.000 0.980 95 Y HN 0.681 nan 8.280 nan 0.000 0.530 96 D N -2.119 118.357 120.400 0.127 0.000 2.768 96 D HA 0.437 5.077 4.640 -0.000 0.000 0.327 96 D C -1.200 175.196 176.300 0.159 0.000 1.302 96 D CA -0.757 53.335 54.000 0.154 0.000 0.897 96 D CB 0.759 41.826 40.800 0.444 0.000 1.420 96 D HN -0.073 nan 8.370 nan 0.000 0.494 97 A N 0.153 123.081 122.820 0.181 0.000 2.366 97 A HA 0.637 4.957 4.320 -0.000 0.000 0.272 97 A C -2.331 175.313 177.584 0.101 0.000 1.135 97 A CA -1.023 51.106 52.037 0.152 0.000 0.804 97 A CB -0.051 19.080 19.000 0.218 0.000 1.064 97 A HN 0.457 nan 8.150 nan 0.000 0.499 98 P HA 0.462 nan 4.420 nan 0.000 0.292 98 P C -0.648 176.832 177.300 0.300 0.000 1.287 98 P CA 0.030 63.110 63.100 -0.034 0.000 0.800 98 P CB 0.855 32.279 31.700 -0.459 0.000 0.945 99 I N 2.786 123.578 120.570 0.370 0.000 2.676 99 I HA 0.385 4.555 4.170 -0.000 0.000 0.309 99 I C -0.462 175.796 176.117 0.235 0.000 0.990 99 I CA -0.946 60.556 61.300 0.336 0.000 1.168 99 I CB 1.417 39.562 38.000 0.242 0.000 1.343 99 I HN 0.321 nan 8.210 nan 0.000 0.482 100 Y N 3.413 123.603 120.300 -0.183 0.000 2.475 100 Y HA 0.408 4.958 4.550 -0.000 0.000 0.343 100 Y C -1.055 174.676 175.900 -0.280 0.000 1.068 100 Y CA -0.463 57.320 58.100 -0.528 0.000 1.307 100 Y CB 1.019 38.657 38.460 -1.369 0.000 1.097 100 Y HN 0.577 nan 8.280 nan 0.000 0.530 101 T N 4.293 118.327 114.554 -0.867 0.000 2.932 101 T HA 0.272 4.622 4.350 -0.000 0.000 0.289 101 T C 0.496 174.678 174.700 -0.862 0.000 1.039 101 T CA -0.836 60.813 62.100 -0.752 0.000 1.024 101 T CB 1.969 70.610 68.868 -0.378 0.000 1.090 101 T HN 0.737 nan 8.240 nan 0.000 0.496 102 N N 0.242 118.531 118.700 -0.685 0.000 2.646 102 N HA 0.013 4.753 4.740 -0.000 0.000 0.214 102 N C 0.992 176.202 175.510 -0.499 0.000 1.042 102 N CA 0.433 53.166 53.050 -0.529 0.000 0.925 102 N CB 0.348 38.552 38.487 -0.472 0.000 1.383 102 N HN 0.309 nan 8.380 nan 0.000 0.439 103 V N 1.369 120.945 119.914 -0.565 0.000 2.721 103 V HA 0.080 4.200 4.120 -0.000 0.000 0.236 103 V C 0.354 176.128 176.094 -0.533 0.000 1.116 103 V CA 1.044 62.939 62.300 -0.676 0.000 1.148 103 V CB -0.050 31.279 31.823 -0.823 0.000 0.886 103 V HN 0.371 nan 8.190 nan 0.000 0.490 104 T N 0.959 115.270 114.554 -0.405 0.000 2.871 104 T HA 0.132 4.482 4.350 -0.000 0.000 0.296 104 T C -0.428 174.131 174.700 -0.235 0.000 0.998 104 T CA 0.047 61.979 62.100 -0.280 0.000 1.162 104 T CB -0.312 68.439 68.868 -0.194 0.000 0.947 104 T HN 0.156 nan 8.240 nan 0.000 0.536 105 Y N 3.867 124.083 120.300 -0.141 0.000 2.550 105 Y HA 0.188 4.738 4.550 -0.000 0.000 0.343 105 Y C -0.917 174.868 175.900 -0.192 0.000 1.245 105 Y CA -1.774 56.236 58.100 -0.150 0.000 1.462 105 Y CB 0.145 38.518 38.460 -0.145 0.000 1.340 105 Y HN 0.498 nan 8.280 nan 0.000 0.604 106 P HA 0.005 nan 4.420 nan 0.000 0.242 106 P C -0.374 176.669 177.300 -0.427 0.000 1.197 106 P CA 1.124 64.116 63.100 -0.180 0.000 0.765 106 P CB 0.062 31.699 31.700 -0.106 0.000 0.936 107 I N -5.339 114.977 120.570 -0.424 0.000 2.994 107 I HA 0.388 4.558 4.170 -0.000 0.000 0.306 107 I C -0.959 175.014 176.117 -0.240 0.000 1.195 107 I CA -1.087 59.922 61.300 -0.486 0.000 1.001 107 I CB 1.895 39.433 38.000 -0.769 0.000 1.244 107 I HN -0.446 nan 8.210 nan 0.000 0.437 108 T N 3.188 117.650 114.554 -0.153 0.000 2.871 108 T HA 0.168 4.518 4.350 -0.000 0.000 0.296 108 T C 0.470 175.182 174.700 0.020 0.000 0.998 108 T CA -0.268 61.809 62.100 -0.038 0.000 1.162 108 T CB 0.391 69.257 68.868 -0.004 0.000 0.947 108 T HN 0.397 nan 8.240 nan 0.000 0.536 109 V N 4.671 124.626 119.914 0.069 0.000 2.377 109 V HA 0.173 4.292 4.120 -0.000 0.000 0.254 109 V C 0.739 176.913 176.094 0.133 0.000 1.060 109 V CA -0.111 62.276 62.300 0.145 0.000 1.068 109 V CB -0.724 31.183 31.823 0.141 0.000 1.113 109 V HN 0.854 nan 8.190 nan 0.000 0.484 110 N N 5.963 124.793 118.700 0.217 0.000 2.732 110 N HA 0.281 5.021 4.740 -0.000 0.000 0.235 110 N C -3.003 172.593 175.510 0.143 0.000 1.466 110 N CA -1.405 51.755 53.050 0.183 0.000 0.751 110 N CB 1.727 40.377 38.487 0.272 0.000 1.317 110 N HN 0.239 nan 8.380 nan 0.000 0.525 111 P HA 0.225 nan 4.420 nan 0.000 0.268 111 P C -2.326 174.709 177.300 -0.442 0.000 1.204 111 P CA -0.799 61.915 63.100 -0.644 0.000 0.768 111 P CB 0.552 31.660 31.700 -0.987 0.000 0.842 112 P HA 0.255 nan 4.420 nan 0.000 0.274 112 P C -0.506 176.826 177.300 0.053 0.000 1.673 112 P CA -0.451 62.556 63.100 -0.155 0.000 1.193 112 P CB 0.047 31.688 31.700 -0.098 0.000 1.571 113 F N 0.191 120.286 119.950 0.243 0.000 2.459 113 F HA 0.188 4.715 4.527 -0.000 0.000 0.346 113 F C 1.217 177.192 175.800 0.292 0.000 1.128 113 F CA -0.421 57.716 58.000 0.228 0.000 1.268 113 F CB 0.330 39.416 39.000 0.143 0.000 1.161 113 F HN -0.241 nan 8.300 nan 0.000 0.583 114 V N 3.133 123.341 119.914 0.490 0.000 3.001 114 V HA 0.465 4.584 4.120 -0.000 0.000 0.314 114 V C -2.120 174.119 176.094 0.243 0.000 1.099 114 V CA -1.921 60.569 62.300 0.317 0.000 0.989 114 V CB 2.379 34.451 31.823 0.415 0.000 1.040 114 V HN 0.574 nan 8.190 nan 0.000 0.434 115 P HA 0.140 nan 4.420 nan 0.000 0.271 115 P C 0.925 178.325 177.300 0.165 0.000 1.220 115 P CA 0.067 63.229 63.100 0.104 0.000 0.768 115 P CB 0.807 32.519 31.700 0.019 0.000 0.848 116 T N 0.818 115.454 114.554 0.137 0.000 2.620 116 T HA -0.245 4.105 4.350 -0.000 0.000 0.267 116 T C 0.440 175.216 174.700 0.127 0.000 1.044 116 T CA 1.240 63.421 62.100 0.134 0.000 1.161 116 T CB -1.115 67.811 68.868 0.095 0.000 0.862 116 T HN 0.420 nan 8.240 nan 0.000 0.438 117 E N 2.826 123.104 120.200 0.129 0.000 2.351 117 E HA 0.423 4.773 4.350 -0.000 0.000 0.266 117 E C -0.233 176.488 176.600 0.200 0.000 1.031 117 E CA -0.078 56.409 56.400 0.144 0.000 0.911 117 E CB 0.198 29.993 29.700 0.159 0.000 0.986 117 E HN 0.407 nan 8.360 nan 0.000 0.446 118 N N 3.950 122.733 118.700 0.138 0.000 2.701 118 N HA 0.183 4.923 4.740 -0.000 0.000 0.258 118 N C -2.889 172.609 175.510 -0.020 0.000 1.262 118 N CA -2.312 50.841 53.050 0.173 0.000 0.780 118 N CB 0.887 39.456 38.487 0.137 0.000 1.380 118 N HN 0.057 nan 8.380 nan 0.000 0.548 119 P HA -0.034 nan 4.420 nan 0.000 0.257 119 P C -0.685 176.449 177.300 -0.276 0.000 1.153 119 P CA 0.587 63.544 63.100 -0.238 0.000 0.762 119 P CB 0.049 31.925 31.700 0.294 0.000 0.743 120 T N 2.818 116.989 114.554 -0.638 0.000 2.770 120 T HA 0.522 4.871 4.350 -0.000 0.000 0.283 120 T C 0.598 174.826 174.700 -0.787 0.000 0.988 120 T CA -0.536 61.273 62.100 -0.486 0.000 0.957 120 T CB 1.472 70.111 68.868 -0.381 0.000 0.930 120 T HN 0.380 nan 8.240 nan 0.000 0.443 121 G N 1.082 109.484 108.800 -0.663 0.000 2.377 121 G HA2 0.417 4.377 3.960 -0.000 0.000 0.316 121 G HA3 0.417 4.377 3.960 -0.000 0.000 0.316 121 G C -0.056 174.589 174.900 -0.425 0.000 1.115 121 G CA -0.414 44.193 45.100 -0.822 0.000 0.952 121 G HN 0.874 nan 8.290 nan 0.000 0.441 122 C N 4.177 122.946 119.300 -0.885 0.000 2.145 122 C HA 0.338 4.798 4.460 -0.000 0.000 0.374 122 C C -0.243 174.454 174.990 -0.489 0.000 1.035 122 C CA -1.129 57.388 59.018 -0.835 0.000 1.431 122 C CB -2.222 24.714 27.740 -1.339 0.000 1.789 122 C HN 0.589 nan 8.230 nan 0.000 0.483 123 Y N 1.595 121.883 120.300 -0.021 0.000 2.307 123 Y HA 0.539 5.089 4.550 -0.000 0.000 0.324 123 Y C 0.791 177.105 175.900 0.689 0.000 1.238 123 Y CA -0.192 58.134 58.100 0.378 0.000 1.280 123 Y CB 0.859 39.624 38.460 0.509 0.000 1.248 123 Y HN 0.522 nan 8.280 nan 0.000 0.508 124 S N 2.283 118.454 115.700 0.784 0.000 2.579 124 S HA 0.804 5.274 4.470 -0.000 0.000 0.272 124 S C -2.139 172.585 174.600 0.206 0.000 1.141 124 S CA -0.644 57.866 58.200 0.517 0.000 0.843 124 S CB 1.589 65.058 63.200 0.448 0.000 1.122 124 S HN 0.665 nan 8.310 nan 0.000 0.468 125 L N 1.945 123.132 121.223 -0.062 0.000 2.641 125 L HA 0.655 4.995 4.340 -0.000 0.000 0.261 125 L C -0.934 175.899 176.870 -0.062 0.000 0.926 125 L CA 0.187 54.798 54.840 -0.383 0.000 0.917 125 L CB 1.855 43.076 42.059 -1.397 0.000 1.361 125 L HN 0.788 nan 8.230 nan 0.000 0.417 126 T N 5.110 119.658 114.554 -0.010 0.000 2.824 126 T HA 0.864 5.214 4.350 -0.000 0.000 0.280 126 T C -1.043 173.793 174.700 0.227 0.000 0.995 126 T CA 0.027 62.197 62.100 0.118 0.000 1.009 126 T CB 0.441 69.317 68.868 0.012 0.000 0.955 126 T HN 0.521 nan 8.240 nan 0.000 0.452 127 F N 1.462 121.340 119.950 -0.119 0.000 2.779 127 F HA 0.711 5.238 4.527 -0.000 0.000 0.316 127 F C -1.286 174.468 175.800 -0.078 0.000 1.164 127 F CA -1.639 56.298 58.000 -0.106 0.000 0.924 127 F CB 0.723 39.649 39.000 -0.123 0.000 1.348 127 F HN 0.273 nan 8.300 nan 0.000 0.467 128 N N -0.200 118.430 118.700 -0.116 0.000 2.384 128 N HA 0.803 5.542 4.740 -0.000 0.000 0.301 128 N C -1.303 174.134 175.510 -0.122 0.000 1.133 128 N CA -0.575 52.367 53.050 -0.179 0.000 0.853 128 N CB 2.249 40.674 38.487 -0.105 0.000 1.241 128 N HN 0.643 nan 8.380 nan 0.000 0.502 129 V N -0.894 118.924 119.914 -0.160 0.000 3.046 129 V HA 0.489 4.609 4.120 -0.000 0.000 0.316 129 V C -0.428 175.552 176.094 -0.189 0.000 1.104 129 V CA -1.027 61.187 62.300 -0.143 0.000 1.006 129 V CB 1.934 33.737 31.823 -0.032 0.000 1.058 129 V HN 0.543 nan 8.190 nan 0.000 0.440 130 D N 0.781 120.994 120.400 -0.312 0.000 2.264 130 D HA 0.167 4.807 4.640 -0.000 0.000 0.250 130 D C 1.139 177.375 176.300 -0.107 0.000 1.113 130 D CA -0.203 53.630 54.000 -0.277 0.000 0.871 130 D CB 1.788 42.294 40.800 -0.489 0.000 1.167 130 D HN 0.785 nan 8.370 nan 0.000 0.447 131 E N 1.470 121.633 120.200 -0.061 0.000 2.267 131 E HA -0.230 4.120 4.350 -0.000 0.000 0.197 131 E C 1.710 178.335 176.600 0.041 0.000 0.998 131 E CA 1.145 57.542 56.400 -0.005 0.000 0.830 131 E CB -0.171 29.525 29.700 -0.006 0.000 0.751 131 E HN 0.432 nan 8.360 nan 0.000 0.491 132 S N 0.338 116.061 115.700 0.038 0.000 2.382 132 S HA -0.184 4.286 4.470 -0.000 0.000 0.228 132 S C 1.489 176.208 174.600 0.199 0.000 1.027 132 S CA 0.737 59.002 58.200 0.108 0.000 0.991 132 S CB -0.535 62.729 63.200 0.107 0.000 0.823 132 S HN 0.463 nan 8.310 nan 0.000 0.469 133 W N 1.522 122.706 121.300 -0.192 0.000 2.519 133 W HA 0.386 5.046 4.660 -0.000 0.000 0.266 133 W C 1.978 178.467 176.519 -0.050 0.000 1.253 133 W CA -0.310 56.792 57.345 -0.406 0.000 1.274 133 W CB -0.563 28.615 29.460 -0.469 0.000 1.114 133 W HN 0.327 nan 8.180 nan 0.000 0.596 134 L N -0.780 120.569 121.223 0.209 0.000 2.307 134 L HA -0.090 4.250 4.340 -0.000 0.000 0.211 134 L C 2.182 179.131 176.870 0.131 0.000 1.099 134 L CA 0.520 55.453 54.840 0.155 0.000 0.816 134 L CB -0.590 41.530 42.059 0.102 0.000 0.952 134 L HN -0.106 nan 8.230 nan 0.000 0.455 135 Q N 0.867 120.745 119.800 0.131 0.000 1.723 135 Q HA -0.115 4.225 4.340 -0.000 0.000 0.363 135 Q C 0.432 176.503 176.000 0.117 0.000 0.987 135 Q CA 1.434 57.302 55.803 0.108 0.000 0.896 135 Q CB 0.043 28.843 28.738 0.103 0.000 0.941 135 Q HN 0.437 nan 8.270 nan 0.000 0.410 136 E N -1.373 118.914 120.200 0.146 0.000 2.302 136 E HA 0.544 4.894 4.350 -0.000 0.000 0.255 136 E C 0.244 176.923 176.600 0.132 0.000 1.099 136 E CA -0.386 56.082 56.400 0.114 0.000 0.929 136 E CB 0.598 30.348 29.700 0.083 0.000 1.203 136 E HN 0.484 nan 8.360 nan 0.000 0.459 137 G N 0.288 109.067 108.800 -0.034 0.000 2.645 137 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.246 137 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.246 137 G C -0.750 174.039 174.900 -0.184 0.000 1.322 137 G CA 0.170 45.130 45.100 -0.234 0.000 0.898 137 G HN 0.705 nan 8.290 nan 0.000 0.573 138 Q N -0.847 118.754 119.800 -0.331 0.000 2.337 138 Q HA 0.663 5.003 4.340 -0.000 0.000 0.266 138 Q C -1.074 174.846 176.000 -0.134 0.000 1.023 138 Q CA -0.443 55.266 55.803 -0.157 0.000 0.829 138 Q CB 1.809 30.480 28.738 -0.111 0.000 1.306 138 Q HN 0.519 nan 8.270 nan 0.000 0.449 139 T N 4.796 119.382 114.554 0.055 0.000 2.893 139 T HA 0.366 4.716 4.350 -0.000 0.000 0.324 139 T C -0.749 174.033 174.700 0.137 0.000 1.082 139 T CA -0.614 61.562 62.100 0.125 0.000 0.983 139 T CB 0.211 69.241 68.868 0.269 0.000 1.005 139 T HN 0.655 nan 8.240 nan 0.000 0.475 140 R N 3.468 124.023 120.500 0.093 0.000 2.787 140 R HA 0.764 5.104 4.340 -0.000 0.000 0.271 140 R C -0.934 175.445 176.300 0.132 0.000 0.993 140 R CA -0.932 55.242 56.100 0.124 0.000 0.993 140 R CB 1.532 31.891 30.300 0.099 0.000 1.155 140 R HN 0.468 nan 8.270 nan 0.000 0.486 141 I N 2.700 123.368 120.570 0.164 0.000 2.530 141 I HA 0.433 4.603 4.170 -0.000 0.000 0.297 141 I C -1.356 174.835 176.117 0.124 0.000 1.011 141 I CA -1.565 59.798 61.300 0.106 0.000 1.107 141 I CB 1.778 39.836 38.000 0.096 0.000 1.285 141 I HN 0.696 nan 8.210 nan 0.000 0.436 142 I N 6.998 127.553 120.570 -0.025 0.000 2.439 142 I HA 0.310 4.480 4.170 -0.000 0.000 0.285 142 I C -1.102 174.915 176.117 -0.166 0.000 1.021 142 I CA -0.281 61.018 61.300 -0.002 0.000 1.091 142 I CB 1.435 39.433 38.000 -0.003 0.000 1.242 142 I HN 0.286 nan 8.210 nan 0.000 0.439 143 F N 4.105 124.065 119.950 0.016 0.000 2.411 143 F HA 0.283 4.810 4.527 -0.000 0.000 0.350 143 F C 1.329 177.034 175.800 -0.158 0.000 1.114 143 F CA -0.331 57.611 58.000 -0.096 0.000 1.135 143 F CB 0.818 39.727 39.000 -0.150 0.000 1.120 143 F HN 0.472 nan 8.300 nan 0.000 0.495 144 D N 1.869 122.207 120.400 -0.103 0.000 2.347 144 D HA 0.181 4.821 4.640 -0.000 0.000 0.213 144 D C 0.801 176.927 176.300 -0.289 0.000 0.985 144 D CA 0.667 54.551 54.000 -0.192 0.000 0.879 144 D CB 0.447 41.101 40.800 -0.243 0.000 0.919 144 D HN 0.668 nan 8.370 nan 0.000 0.526 145 G N -0.902 107.674 108.800 -0.373 0.000 2.498 145 G HA2 0.420 4.380 3.960 -0.000 0.000 0.301 145 G HA3 0.420 4.380 3.960 -0.000 0.000 0.301 145 G C -1.775 172.825 174.900 -0.501 0.000 1.577 145 G CA -0.517 44.247 45.100 -0.559 0.000 0.868 145 G HN -0.068 nan 8.290 nan 0.000 0.599 146 V N 2.197 122.017 119.914 -0.158 0.000 2.752 146 V HA 0.519 4.638 4.120 -0.000 0.000 0.302 146 V C -1.049 175.106 176.094 0.102 0.000 1.133 146 V CA -1.177 61.051 62.300 -0.121 0.000 0.919 146 V CB 2.093 33.557 31.823 -0.600 0.000 1.026 146 V HN 0.776 nan 8.190 nan 0.000 0.429 147 N N 1.816 120.590 118.700 0.124 0.000 2.392 147 N HA 0.349 5.089 4.740 -0.000 0.000 0.283 147 N C 0.723 176.163 175.510 -0.117 0.000 1.003 147 N CA 0.371 53.407 53.050 -0.023 0.000 0.892 147 N CB 2.371 40.714 38.487 -0.241 0.000 1.193 147 N HN 0.730 nan 8.380 nan 0.000 0.487 148 S N 2.101 117.748 115.700 -0.088 0.000 2.497 148 S HA 0.463 4.933 4.470 -0.000 0.000 0.218 148 S C 0.416 175.059 174.600 0.071 0.000 1.023 148 S CA 0.406 58.597 58.200 -0.015 0.000 0.913 148 S CB 0.280 63.470 63.200 -0.017 0.000 0.800 148 S HN 0.689 nan 8.310 nan 0.000 0.505 149 A N 0.352 123.237 122.820 0.109 0.000 2.557 149 A HA 0.779 5.099 4.320 -0.000 0.000 0.292 149 A C -1.476 176.311 177.584 0.337 0.000 1.139 149 A CA -0.586 51.553 52.037 0.170 0.000 0.665 149 A CB 0.596 19.688 19.000 0.152 0.000 1.285 149 A HN 1.315 nan 8.150 nan 0.000 0.433 150 F N -1.927 117.935 119.950 -0.146 0.000 2.843 150 F HA 0.616 5.143 4.527 -0.000 0.000 0.323 150 F C -1.690 174.143 175.800 0.054 0.000 1.142 150 F CA -0.915 57.087 58.000 0.003 0.000 0.925 150 F CB 0.459 39.413 39.000 -0.075 0.000 1.277 150 F HN 0.671 nan 8.300 nan 0.000 0.446 151 H N 1.832 121.108 119.070 0.343 0.000 2.529 151 H HA 0.827 5.383 4.556 -0.000 0.000 0.348 151 H C -1.359 174.059 175.328 0.150 0.000 1.152 151 H CA -0.691 55.508 56.048 0.251 0.000 1.202 151 H CB 2.352 32.396 29.762 0.470 0.000 1.562 151 H HN 0.778 nan 8.280 nan 0.000 0.515 152 L N 2.302 123.407 121.223 -0.198 0.000 2.388 152 L HA 0.460 4.799 4.340 -0.000 0.000 0.264 152 L C -1.784 174.802 176.870 -0.473 0.000 0.998 152 L CA -0.689 54.036 54.840 -0.191 0.000 0.817 152 L CB 1.886 43.627 42.059 -0.530 0.000 1.338 152 L HN 0.550 nan 8.230 nan 0.000 0.414 153 W N 4.375 125.579 121.300 -0.160 0.000 2.998 153 W HA 0.557 5.217 4.660 -0.000 0.000 0.335 153 W C -1.244 175.182 176.519 -0.156 0.000 1.110 153 W CA -0.697 56.548 57.345 -0.167 0.000 1.230 153 W CB 2.078 31.477 29.460 -0.101 0.000 1.405 153 W HN 0.696 nan 8.180 nan 0.000 0.493 154 C N 5.511 124.831 119.300 0.032 0.000 2.441 154 C HA 0.356 4.816 4.460 -0.000 0.000 0.318 154 C C 0.663 175.750 174.990 0.162 0.000 1.222 154 C CA -0.213 58.838 59.018 0.056 0.000 1.474 154 C CB 0.189 27.890 27.740 -0.066 0.000 2.125 154 C HN 0.832 nan 8.230 nan 0.000 0.479 155 N N 3.166 121.936 118.700 0.117 0.000 2.678 155 N HA -0.212 4.528 4.740 -0.000 0.000 0.249 155 N C 0.997 176.567 175.510 0.099 0.000 1.119 155 N CA 2.056 55.156 53.050 0.082 0.000 0.718 155 N CB -1.274 37.259 38.487 0.078 0.000 1.060 155 N HN 1.801 nan 8.380 nan 0.000 0.552 156 G N -1.101 107.767 108.800 0.114 0.000 2.213 156 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.236 156 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.236 156 G C 0.066 175.167 174.900 0.334 0.000 0.991 156 G CA 0.318 45.490 45.100 0.120 0.000 0.629 156 G HN 0.497 nan 8.290 nan 0.000 0.517 157 R N -0.610 120.118 120.500 0.381 0.000 2.312 157 R HA 0.428 4.768 4.340 -0.000 0.000 0.311 157 R C -0.022 176.478 176.300 0.334 0.000 1.004 157 R CA -0.818 55.554 56.100 0.453 0.000 0.902 157 R CB 0.954 31.530 30.300 0.461 0.000 1.073 157 R HN 0.251 nan 8.270 nan 0.000 0.457 158 W N 3.828 125.141 121.300 0.022 0.000 2.264 158 W HA 0.013 4.673 4.660 -0.000 0.000 0.331 158 W C 0.004 176.280 176.519 -0.405 0.000 1.364 158 W CA 0.223 57.152 57.345 -0.694 0.000 1.253 158 W CB 0.579 29.642 29.460 -0.662 0.000 1.215 158 W HN 0.338 nan 8.180 nan 0.000 0.561 159 V N 5.247 124.138 119.914 -1.705 0.000 2.854 159 V HA 0.530 4.649 4.120 -0.000 0.000 0.236 159 V C 1.014 176.073 176.094 -1.726 0.000 1.157 159 V CA 1.010 62.436 62.300 -1.457 0.000 1.187 159 V CB -0.168 30.903 31.823 -1.252 0.000 0.949 159 V HN 0.790 nan 8.190 nan 0.000 0.488 160 G N -1.778 105.834 108.800 -1.979 0.000 2.650 160 G HA2 0.542 4.502 3.960 -0.000 0.000 0.310 160 G HA3 0.542 4.502 3.960 -0.000 0.000 0.310 160 G C -2.312 172.285 174.900 -0.505 0.000 1.270 160 G CA -0.200 44.244 45.100 -1.093 0.000 0.810 160 G HN 0.081 nan 8.290 nan 0.000 0.493 161 Y N -0.963 119.216 120.300 -0.202 0.000 2.573 161 Y HA 0.592 5.142 4.550 -0.000 0.000 0.328 161 Y C -0.372 175.379 175.900 -0.249 0.000 1.170 161 Y CA -0.071 57.846 58.100 -0.306 0.000 1.078 161 Y CB 1.517 39.992 38.460 0.024 0.000 1.341 161 Y HN 1.292 nan 8.280 nan 0.000 0.459 162 G N 3.439 111.426 108.800 -1.355 0.000 2.690 162 G HA2 0.647 4.607 3.960 -0.000 0.000 0.291 162 G HA3 0.647 4.607 3.960 -0.000 0.000 0.291 162 G C -2.120 172.389 174.900 -0.652 0.000 1.403 162 G CA -0.960 43.699 45.100 -0.734 0.000 0.864 162 G HN 0.623 nan 8.290 nan 0.000 0.480 163 Q N -0.377 119.269 119.800 -0.257 0.000 2.495 163 Q HA 0.568 4.908 4.340 -0.000 0.000 0.287 163 Q C -1.617 174.384 176.000 0.003 0.000 1.078 163 Q CA -0.857 54.895 55.803 -0.085 0.000 0.793 163 Q CB 2.960 31.681 28.738 -0.029 0.000 1.459 163 Q HN 0.609 nan 8.270 nan 0.000 0.422 164 D N 0.267 120.697 120.400 0.050 0.000 3.862 164 D HA -0.090 4.550 4.640 -0.000 0.000 0.224 164 D C -0.077 176.271 176.300 0.079 0.000 1.152 164 D CA 0.681 54.720 54.000 0.066 0.000 0.894 164 D CB -0.587 40.238 40.800 0.041 0.000 0.624 164 D HN 0.620 nan 8.370 nan 0.000 0.287 165 S N 2.234 117.995 115.700 0.102 0.000 2.500 165 S HA -0.146 4.324 4.470 -0.000 0.000 0.239 165 S C 1.618 176.331 174.600 0.188 0.000 0.989 165 S CA 0.524 58.821 58.200 0.161 0.000 0.951 165 S CB 0.288 63.573 63.200 0.142 0.000 0.759 165 S HN 0.397 nan 8.310 nan 0.000 0.523 166 R N 0.367 120.938 120.500 0.118 0.000 2.312 166 R HA 0.487 4.827 4.340 -0.000 0.000 0.205 166 R C 0.273 176.611 176.300 0.063 0.000 0.904 166 R CA -0.050 56.115 56.100 0.108 0.000 1.052 166 R CB -0.588 29.810 30.300 0.164 0.000 1.014 166 R HN 0.417 nan 8.270 nan 0.000 0.503 167 L N 0.401 121.639 121.223 0.026 0.000 2.286 167 L HA 0.547 4.887 4.340 -0.000 0.000 0.265 167 L C -2.243 174.598 176.870 -0.048 0.000 1.012 167 L CA -2.449 52.381 54.840 -0.016 0.000 0.818 167 L CB 1.624 43.668 42.059 -0.024 0.000 1.337 167 L HN -0.209 nan 8.230 nan 0.000 0.438 168 P HA 0.226 nan 4.420 nan 0.000 0.279 168 P C -1.250 176.027 177.300 -0.039 0.000 1.239 168 P CA -0.380 62.678 63.100 -0.070 0.000 0.789 168 P CB 1.299 32.922 31.700 -0.130 0.000 0.933 169 S N 1.625 117.362 115.700 0.062 0.000 2.478 169 S HA 0.387 4.857 4.470 -0.000 0.000 0.312 169 S C -0.605 174.038 174.600 0.071 0.000 1.094 169 S CA -0.578 57.659 58.200 0.062 0.000 1.081 169 S CB 0.885 64.258 63.200 0.288 0.000 1.007 169 S HN 0.348 nan 8.310 nan 0.000 0.475 170 E N 1.794 121.853 120.200 -0.234 0.000 2.234 170 E HA 0.570 4.920 4.350 -0.000 0.000 0.266 170 E C -1.530 174.800 176.600 -0.450 0.000 0.877 170 E CA -0.494 55.820 56.400 -0.144 0.000 0.758 170 E CB 1.626 31.314 29.700 -0.020 0.000 1.170 170 E HN 0.418 nan 8.360 nan 0.000 0.415 171 F N 0.610 120.615 119.950 0.092 0.000 2.578 171 F HA 0.224 4.751 4.527 -0.000 0.000 0.311 171 F C -0.025 175.799 175.800 0.041 0.000 1.094 171 F CA -1.150 56.870 58.000 0.032 0.000 0.923 171 F CB 1.479 40.459 39.000 -0.033 0.000 1.230 171 F HN 0.262 nan 8.300 nan 0.000 0.450 172 D N 2.453 122.988 120.400 0.226 0.000 2.358 172 D HA 0.184 4.824 4.640 -0.000 0.000 0.258 172 D C 0.745 177.169 176.300 0.208 0.000 1.223 172 D CA 0.507 54.617 54.000 0.184 0.000 0.886 172 D CB 0.935 41.830 40.800 0.159 0.000 1.120 172 D HN 0.548 nan 8.370 nan 0.000 0.482 173 L N 2.501 123.844 121.223 0.199 0.000 2.162 173 L HA -0.121 4.219 4.340 -0.000 0.000 0.205 173 L C 2.305 179.381 176.870 0.344 0.000 1.086 173 L CA 0.186 55.157 54.840 0.218 0.000 0.778 173 L CB -0.258 41.920 42.059 0.197 0.000 0.928 173 L HN 0.378 nan 8.230 nan 0.000 0.446 174 S N 0.754 116.611 115.700 0.262 0.000 2.490 174 S HA -0.424 4.046 4.470 -0.000 0.000 0.291 174 S C 1.969 176.689 174.600 0.200 0.000 1.182 174 S CA 2.111 60.438 58.200 0.211 0.000 1.215 174 S CB -0.712 62.576 63.200 0.146 0.000 1.176 174 S HN 0.599 nan 8.310 nan 0.000 0.440 175 A N -0.441 122.509 122.820 0.217 0.000 2.216 175 A HA 0.127 4.447 4.320 -0.000 0.000 0.214 175 A C 1.347 178.833 177.584 -0.164 0.000 1.160 175 A CA 1.171 53.195 52.037 -0.021 0.000 0.725 175 A CB -0.502 18.384 19.000 -0.190 0.000 0.784 175 A HN 0.544 nan 8.150 nan 0.000 0.472 176 F N -1.436 118.544 119.950 0.051 0.000 2.784 176 F HA 0.373 4.900 4.527 -0.000 0.000 0.323 176 F C 0.561 176.386 175.800 0.043 0.000 1.085 176 F CA -1.090 56.937 58.000 0.044 0.000 1.196 176 F CB -0.429 38.596 39.000 0.041 0.000 1.053 176 F HN -0.094 nan 8.300 nan 0.000 0.578 177 L N 1.584 122.961 121.223 0.256 0.000 2.473 177 L HA 0.317 4.656 4.340 -0.000 0.000 0.268 177 L C 0.574 177.488 176.870 0.074 0.000 1.215 177 L CA 0.018 54.947 54.840 0.149 0.000 0.823 177 L CB 0.451 42.612 42.059 0.170 0.000 1.099 177 L HN 0.045 nan 8.230 nan 0.000 0.483 178 R N 0.432 120.937 120.500 0.008 0.000 2.912 178 R HA 0.653 4.993 4.340 -0.000 0.000 0.262 178 R C -0.884 175.392 176.300 -0.041 0.000 1.057 178 R CA -1.039 55.050 56.100 -0.018 0.000 0.981 178 R CB 1.869 32.141 30.300 -0.048 0.000 1.201 178 R HN 0.695 nan 8.270 nan 0.000 0.484 179 A N 0.749 123.547 122.820 -0.037 0.000 2.450 179 A HA 0.493 4.813 4.320 -0.000 0.000 0.255 179 A C 0.922 178.457 177.584 -0.081 0.000 1.096 179 A CA 0.916 52.925 52.037 -0.047 0.000 0.778 179 A CB -0.227 18.754 19.000 -0.031 0.000 1.031 179 A HN 0.883 nan 8.150 nan 0.000 0.494 180 G N 1.769 110.508 108.800 -0.102 0.000 2.557 180 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.292 180 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.292 180 G C 0.209 174.996 174.900 -0.189 0.000 1.162 180 G CA 0.381 45.407 45.100 -0.123 0.000 0.964 180 G HN 0.965 nan 8.290 nan 0.000 0.541 181 E N 2.683 122.783 120.200 -0.166 0.000 2.383 181 E HA 0.202 4.552 4.350 -0.000 0.000 0.257 181 E C -0.061 176.381 176.600 -0.263 0.000 1.079 181 E CA 0.241 56.520 56.400 -0.201 0.000 0.934 181 E CB -0.068 29.556 29.700 -0.126 0.000 0.978 181 E HN 0.380 nan 8.360 nan 0.000 0.462 182 N N 2.889 121.314 118.700 -0.459 0.000 2.321 182 N HA 0.386 5.126 4.740 -0.000 0.000 0.290 182 N C -0.827 174.434 175.510 -0.415 0.000 1.212 182 N CA -0.649 52.094 53.050 -0.512 0.000 0.767 182 N CB 2.462 40.424 38.487 -0.875 0.000 1.494 182 N HN 0.320 nan 8.380 nan 0.000 0.479 183 R N 2.000 122.420 120.500 -0.132 0.000 2.515 183 R HA 0.350 4.690 4.340 -0.000 0.000 0.291 183 R C -1.361 175.021 176.300 0.138 0.000 1.046 183 R CA -0.451 55.681 56.100 0.052 0.000 0.914 183 R CB 0.840 31.134 30.300 -0.010 0.000 1.191 183 R HN 0.478 nan 8.270 nan 0.000 0.435 184 L N 2.539 123.913 121.223 0.251 0.000 2.456 184 L HA 0.671 5.011 4.340 -0.000 0.000 0.257 184 L C 0.084 177.032 176.870 0.129 0.000 1.162 184 L CA -0.295 54.667 54.840 0.203 0.000 0.808 184 L CB 1.453 43.634 42.059 0.203 0.000 1.136 184 L HN 0.837 nan 8.230 nan 0.000 0.466 185 A N 1.489 124.414 122.820 0.175 0.000 2.626 185 A HA 0.563 4.883 4.320 -0.000 0.000 0.293 185 A C -1.307 176.529 177.584 0.419 0.000 1.111 185 A CA -0.413 51.663 52.037 0.065 0.000 0.874 185 A CB 0.639 19.200 19.000 -0.732 0.000 1.451 185 A HN 0.284 nan 8.150 nan 0.000 0.396 186 V N 3.440 123.776 119.914 0.704 0.000 2.370 186 V HA 0.568 4.688 4.120 -0.000 0.000 0.279 186 V C 0.283 176.844 176.094 0.778 0.000 1.029 186 V CA -0.176 62.530 62.300 0.676 0.000 0.870 186 V CB 1.344 33.441 31.823 0.457 0.000 0.984 186 V HN 0.942 nan 8.190 nan 0.000 0.451 187 M N 7.404 127.450 119.600 0.742 0.000 2.047 187 M HA 0.622 5.102 4.480 -0.000 0.000 0.342 187 M C -1.238 175.288 176.300 0.376 0.000 1.058 187 M CA -0.129 55.466 55.300 0.491 0.000 0.991 187 M CB 1.140 34.084 32.600 0.573 0.000 1.474 187 M HN 0.371 nan 8.290 nan 0.000 0.419 188 V N 5.678 125.752 119.914 0.268 0.000 2.539 188 V HA 0.514 4.634 4.120 -0.000 0.000 0.292 188 V C 0.102 176.334 176.094 0.231 0.000 1.045 188 V CA -0.761 61.694 62.300 0.259 0.000 0.945 188 V CB 1.262 33.248 31.823 0.271 0.000 0.993 188 V HN 0.822 nan 8.190 nan 0.000 0.464 189 L N 3.609 124.924 121.223 0.152 0.000 2.342 189 L HA 0.592 4.932 4.340 -0.000 0.000 0.271 189 L C 1.095 177.918 176.870 -0.078 0.000 1.008 189 L CA -0.689 54.167 54.840 0.026 0.000 0.818 189 L CB 2.323 44.349 42.059 -0.056 0.000 1.296 189 L HN 0.655 nan 8.230 nan 0.000 0.427 190 R N 1.641 121.996 120.500 -0.242 0.000 2.041 190 R HA 0.062 4.402 4.340 -0.000 0.000 0.221 190 R C -0.396 175.481 176.300 -0.705 0.000 1.196 190 R CA 0.940 56.622 56.100 -0.697 0.000 0.969 190 R CB 0.141 29.861 30.300 -0.967 0.000 0.858 190 R HN 0.522 nan 8.270 nan 0.000 0.444 191 W N 1.358 122.668 121.300 0.017 0.000 2.351 191 W HA 0.276 4.936 4.660 -0.000 0.000 0.311 191 W C 0.216 176.780 176.519 0.076 0.000 1.168 191 W CA -0.602 56.754 57.345 0.018 0.000 1.200 191 W CB 1.079 30.547 29.460 0.013 0.000 1.221 191 W HN 0.109 nan 8.180 nan 0.000 0.519 192 S N -0.092 115.826 115.700 0.363 0.000 2.638 192 S HA 0.251 4.721 4.470 -0.000 0.000 0.274 192 S C 0.250 175.070 174.600 0.367 0.000 1.157 192 S CA -0.626 57.815 58.200 0.402 0.000 0.826 192 S CB 1.370 64.772 63.200 0.337 0.000 1.139 192 S HN 0.567 nan 8.310 nan 0.000 0.474 193 D N 0.531 121.170 120.400 0.398 0.000 2.351 193 D HA 0.080 4.720 4.640 -0.000 0.000 0.216 193 D C 1.667 178.247 176.300 0.467 0.000 0.968 193 D CA 1.158 55.428 54.000 0.451 0.000 0.899 193 D CB -0.638 40.340 40.800 0.297 0.000 0.907 193 D HN 0.681 nan 8.370 nan 0.000 0.514 194 G N -0.071 108.931 108.800 0.336 0.000 2.448 194 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.218 194 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.218 194 G C 1.724 176.783 174.900 0.265 0.000 1.135 194 G CA 0.462 45.734 45.100 0.288 0.000 0.784 194 G HN 0.292 nan 8.290 nan 0.000 0.543 195 S N 0.061 115.896 115.700 0.224 0.000 2.383 195 S HA -0.127 4.342 4.470 -0.000 0.000 0.229 195 S C 1.897 176.569 174.600 0.121 0.000 1.030 195 S CA 0.805 59.107 58.200 0.170 0.000 1.002 195 S CB -0.402 62.922 63.200 0.206 0.000 0.829 195 S HN 0.501 nan 8.310 nan 0.000 0.467 196 Y N 0.825 121.179 120.300 0.091 0.000 2.651 196 Y HA 0.077 4.627 4.550 -0.000 0.000 0.296 196 Y C 1.490 177.442 175.900 0.088 0.000 1.150 196 Y CA 0.550 58.605 58.100 -0.074 0.000 1.348 196 Y CB -0.216 38.124 38.460 -0.200 0.000 0.983 196 Y HN 0.219 nan 8.280 nan 0.000 0.555 197 L N -0.423 120.976 121.223 0.294 0.000 2.808 197 L HA 0.155 4.495 4.340 -0.000 0.000 0.246 197 L C 0.169 177.182 176.870 0.238 0.000 1.153 197 L CA 0.357 55.340 54.840 0.239 0.000 0.956 197 L CB 0.278 42.478 42.059 0.236 0.000 1.270 197 L HN 0.151 nan 8.230 nan 0.000 0.528 198 E N -0.631 119.729 120.200 0.267 0.000 3.385 198 E HA 0.032 4.381 4.350 -0.000 0.000 0.206 198 E C -0.428 176.324 176.600 0.253 0.000 0.997 198 E CA -0.095 56.452 56.400 0.245 0.000 1.278 198 E CB 0.480 30.301 29.700 0.202 0.000 1.165 198 E HN 0.013 nan 8.360 nan 0.000 0.452 199 D N 1.442 121.990 120.400 0.247 0.000 2.494 199 D HA -0.014 4.626 4.640 -0.000 0.000 0.249 199 D C -0.198 176.162 176.300 0.101 0.000 1.223 199 D CA 0.134 54.201 54.000 0.111 0.000 0.865 199 D CB -0.043 40.662 40.800 -0.158 0.000 0.974 199 D HN 0.096 nan 8.370 nan 0.000 0.491 200 Q N 0.619 120.542 119.800 0.205 0.000 2.300 200 Q HA 0.043 4.382 4.340 -0.000 0.000 0.280 200 Q C -0.120 175.996 176.000 0.194 0.000 1.033 200 Q CA 0.092 56.061 55.803 0.277 0.000 0.903 200 Q CB 0.616 29.607 28.738 0.423 0.000 1.195 200 Q HN 0.096 nan 8.270 nan 0.000 0.386 201 D N 4.284 124.789 120.400 0.175 0.000 2.389 201 D HA 0.090 4.730 4.640 -0.000 0.000 0.278 201 D C -0.546 175.875 176.300 0.200 0.000 1.398 201 D CA 0.418 54.468 54.000 0.083 0.000 1.090 201 D CB -0.278 40.554 40.800 0.052 0.000 1.108 201 D HN 0.517 nan 8.370 nan 0.000 0.532 202 M N 1.523 121.230 119.600 0.178 0.000 3.118 202 M HA 0.244 4.724 4.480 -0.000 0.000 0.276 202 M C -1.609 174.847 176.300 0.259 0.000 1.099 202 M CA -1.023 54.424 55.300 0.245 0.000 0.802 202 M CB 0.593 33.333 32.600 0.234 0.000 1.618 202 M HN 0.022 nan 8.290 nan 0.000 0.535 203 W N 2.524 123.988 121.300 0.273 0.000 2.264 203 W HA 0.271 4.931 4.660 -0.000 0.000 0.331 203 W C 0.579 177.135 176.519 0.061 0.000 1.364 203 W CA -0.014 57.438 57.345 0.179 0.000 1.253 203 W CB 0.423 29.927 29.460 0.074 0.000 1.215 203 W HN 0.330 nan 8.180 nan 0.000 0.561 204 R N 5.731 126.407 120.500 0.294 0.000 3.570 204 R HA 0.201 4.541 4.340 -0.000 0.000 0.233 204 R C 0.279 176.580 176.300 0.002 0.000 1.492 204 R CA -0.112 56.075 56.100 0.145 0.000 1.504 204 R CB -0.470 29.956 30.300 0.211 0.000 1.314 204 R HN 0.516 nan 8.270 nan 0.000 0.687 205 M N 0.524 120.052 119.600 -0.121 0.000 1.791 205 M HA 0.192 4.672 4.480 -0.000 0.000 0.161 205 M C 0.843 176.836 176.300 -0.511 0.000 1.144 205 M CA 0.088 55.198 55.300 -0.315 0.000 0.949 205 M CB 0.202 32.593 32.600 -0.349 0.000 1.011 205 M HN 0.376 nan 8.290 nan 0.000 0.508 206 S N -1.681 113.603 115.700 -0.693 0.000 2.597 206 S HA 0.754 5.224 4.470 -0.000 0.000 0.274 206 S C -0.715 173.430 174.600 -0.759 0.000 1.132 206 S CA -0.168 57.513 58.200 -0.864 0.000 0.835 206 S CB 1.402 63.808 63.200 -1.324 0.000 1.092 206 S HN 1.499 nan 8.310 nan 0.000 0.457 207 G N 0.551 109.106 108.800 -0.409 0.000 2.331 207 G HA2 0.180 4.140 3.960 -0.000 0.000 0.402 207 G HA3 0.180 4.140 3.960 -0.000 0.000 0.402 207 G C -1.363 173.585 174.900 0.080 0.000 1.275 207 G CA -0.485 44.651 45.100 0.060 0.000 1.003 207 G HN 1.315 nan 8.290 nan 0.000 0.500 208 I N 2.210 122.780 120.570 0.001 0.000 2.417 208 I HA 0.242 4.412 4.170 -0.000 0.000 0.283 208 I C 1.104 177.195 176.117 -0.044 0.000 1.121 208 I CA -0.322 60.875 61.300 -0.171 0.000 1.211 208 I CB -0.189 37.501 38.000 -0.516 0.000 1.492 208 I HN 0.484 nan 8.210 nan 0.000 0.522 209 F N 2.903 122.751 119.950 -0.170 0.000 2.797 209 F HA 0.369 4.896 4.527 -0.000 0.000 0.302 209 F C 0.752 176.500 175.800 -0.088 0.000 1.130 209 F CA -0.567 57.355 58.000 -0.130 0.000 1.387 209 F CB -0.304 38.615 39.000 -0.135 0.000 1.107 209 F HN 0.112 nan 8.300 nan 0.000 0.577 210 R N 0.633 120.812 120.500 -0.535 0.000 2.939 210 R HA 0.296 4.636 4.340 -0.000 0.000 0.254 210 R C -0.888 175.271 176.300 -0.235 0.000 1.123 210 R CA -1.051 54.831 56.100 -0.362 0.000 1.020 210 R CB 0.525 30.563 30.300 -0.437 0.000 1.206 210 R HN -0.000 nan 8.270 nan 0.000 0.491 211 D N 0.465 120.778 120.400 -0.144 0.000 2.378 211 D HA 0.183 4.823 4.640 -0.000 0.000 0.238 211 D C -0.275 175.915 176.300 -0.183 0.000 1.180 211 D CA -0.034 53.893 54.000 -0.121 0.000 0.895 211 D CB 0.517 41.289 40.800 -0.047 0.000 1.192 211 D HN 0.006 nan 8.370 nan 0.000 0.438 212 V N 0.871 120.674 119.914 -0.184 0.000 2.495 212 V HA 0.612 4.732 4.120 -0.000 0.000 0.298 212 V C -0.223 175.761 176.094 -0.182 0.000 1.031 212 V CA -0.397 61.728 62.300 -0.292 0.000 0.871 212 V CB 1.554 33.200 31.823 -0.296 0.000 0.988 212 V HN 0.775 nan 8.190 nan 0.000 0.432 213 S N 4.704 120.275 115.700 -0.215 0.000 2.671 213 S HA 0.779 5.248 4.470 -0.000 0.000 0.277 213 S C -1.207 173.366 174.600 -0.044 0.000 1.165 213 S CA -0.928 57.218 58.200 -0.090 0.000 0.822 213 S CB 1.896 65.079 63.200 -0.029 0.000 1.150 213 S HN 0.440 nan 8.310 nan 0.000 0.479 214 L N 1.704 122.963 121.223 0.060 0.000 2.372 214 L HA 0.584 4.923 4.340 -0.000 0.000 0.274 214 L C -1.575 175.402 176.870 0.179 0.000 0.988 214 L CA -0.667 54.275 54.840 0.170 0.000 0.833 214 L CB 1.581 43.837 42.059 0.327 0.000 1.236 214 L HN 0.545 nan 8.230 nan 0.000 0.410 215 L N 3.287 124.557 121.223 0.078 0.000 2.305 215 L HA 0.468 4.808 4.340 -0.000 0.000 0.284 215 L C -0.679 176.083 176.870 -0.180 0.000 1.013 215 L CA -0.188 54.639 54.840 -0.021 0.000 0.819 215 L CB 1.159 43.231 42.059 0.022 0.000 1.227 215 L HN 0.420 nan 8.230 nan 0.000 0.417 216 H N 4.436 123.169 119.070 -0.561 0.000 2.597 216 H HA 0.516 5.072 4.556 -0.000 0.000 0.303 216 H C -1.086 173.956 175.328 -0.476 0.000 1.057 216 H CA -0.150 55.392 56.048 -0.843 0.000 1.261 216 H CB 0.634 29.305 29.762 -1.818 0.000 1.397 216 H HN 0.605 nan 8.280 nan 0.000 0.461 217 K N 5.979 125.967 120.400 -0.687 0.000 2.318 217 K HA 0.359 4.679 4.320 -0.000 0.000 0.249 217 K C -2.659 173.624 176.600 -0.529 0.000 0.942 217 K CA -2.403 53.577 56.287 -0.512 0.000 0.808 217 K CB 1.752 34.056 32.500 -0.328 0.000 1.189 217 K HN 0.464 nan 8.250 nan 0.000 0.428 218 P HA -0.070 nan 4.420 nan 0.000 0.268 218 P C 0.460 177.632 177.300 -0.213 0.000 1.208 218 P CA 0.083 63.029 63.100 -0.257 0.000 0.777 218 P CB 0.402 32.000 31.700 -0.170 0.000 0.875 219 T N -1.960 112.500 114.554 -0.156 0.000 2.867 219 T HA -0.043 4.307 4.350 -0.000 0.000 0.268 219 T C 0.666 175.293 174.700 -0.122 0.000 1.057 219 T CA 1.184 63.211 62.100 -0.122 0.000 1.136 219 T CB -0.822 67.998 68.868 -0.081 0.000 0.874 219 T HN 0.345 nan 8.240 nan 0.000 0.466 220 T N 3.394 117.874 114.554 -0.123 0.000 2.853 220 T HA 0.442 4.791 4.350 -0.000 0.000 0.317 220 T C -0.431 174.184 174.700 -0.142 0.000 1.059 220 T CA -0.806 61.213 62.100 -0.136 0.000 0.954 220 T CB 0.705 69.496 68.868 -0.129 0.000 0.994 220 T HN 0.618 nan 8.240 nan 0.000 0.479 221 Q N 2.558 122.262 119.800 -0.159 0.000 2.484 221 Q HA 0.632 4.972 4.340 -0.000 0.000 0.285 221 Q C -1.104 174.794 176.000 -0.170 0.000 1.097 221 Q CA -1.166 54.529 55.803 -0.181 0.000 0.802 221 Q CB 1.540 30.142 28.738 -0.227 0.000 1.444 221 Q HN 0.392 nan 8.270 nan 0.000 0.429 222 I N 2.471 122.917 120.570 -0.206 0.000 2.517 222 I HA -0.043 4.127 4.170 -0.000 0.000 0.285 222 I C 0.797 176.762 176.117 -0.253 0.000 1.106 222 I CA 0.388 61.587 61.300 -0.169 0.000 1.402 222 I CB 1.162 39.016 38.000 -0.244 0.000 1.399 222 I HN 0.875 nan 8.210 nan 0.000 0.535 223 S N 2.685 118.373 115.700 -0.020 0.000 2.539 223 S HA 0.304 4.774 4.470 -0.000 0.000 0.221 223 S C 0.021 174.861 174.600 0.400 0.000 0.987 223 S CA -0.375 57.885 58.200 0.100 0.000 0.929 223 S CB 0.142 63.374 63.200 0.054 0.000 0.832 223 S HN 0.728 nan 8.310 nan 0.000 0.492 224 D N -0.158 120.537 120.400 0.492 0.000 2.926 224 D HA 0.442 5.082 4.640 -0.000 0.000 0.272 224 D C -2.000 174.604 176.300 0.507 0.000 1.172 224 D CA -0.620 53.673 54.000 0.489 0.000 0.731 224 D CB 0.945 41.898 40.800 0.255 0.000 1.282 224 D HN 0.231 nan 8.370 nan 0.000 0.430 225 F N -0.551 119.542 119.950 0.238 0.000 2.660 225 F HA 0.505 5.032 4.527 -0.000 0.000 0.320 225 F C -1.815 174.174 175.800 0.316 0.000 1.099 225 F CA -0.721 57.360 58.000 0.136 0.000 1.061 225 F CB 0.637 39.706 39.000 0.116 0.000 1.300 225 F HN 0.292 nan 8.300 nan 0.000 0.479 226 H N 2.400 121.464 119.070 -0.010 0.000 2.524 226 H HA 0.803 5.359 4.556 -0.000 0.000 0.353 226 H C -1.029 174.290 175.328 -0.014 0.000 1.136 226 H CA -1.641 54.355 56.048 -0.087 0.000 1.193 226 H CB 2.671 32.386 29.762 -0.078 0.000 1.558 226 H HN 0.592 nan 8.280 nan 0.000 0.515 227 V N 1.536 121.494 119.914 0.073 0.000 2.547 227 V HA 0.746 4.866 4.120 -0.000 0.000 0.299 227 V C 0.060 176.117 176.094 -0.063 0.000 1.040 227 V CA -0.672 61.628 62.300 -0.000 0.000 0.913 227 V CB 1.238 33.037 31.823 -0.039 0.000 0.992 227 V HN 0.961 nan 8.190 nan 0.000 0.449 228 A N 2.691 125.449 122.820 -0.104 0.000 2.566 228 A HA 1.013 5.333 4.320 -0.000 0.000 0.292 228 A C -0.350 177.102 177.584 -0.220 0.000 1.112 228 A CA -0.240 51.720 52.037 -0.128 0.000 0.707 228 A CB 2.358 21.310 19.000 -0.080 0.000 1.302 228 A HN 1.194 nan 8.150 nan 0.000 0.409 229 T N -0.672 113.737 114.554 -0.241 0.000 3.032 229 T HA 0.774 5.123 4.350 -0.000 0.000 0.312 229 T C -0.838 173.553 174.700 -0.516 0.000 1.078 229 T CA -0.685 61.166 62.100 -0.415 0.000 1.028 229 T CB 1.362 69.946 68.868 -0.473 0.000 1.091 229 T HN 0.739 nan 8.240 nan 0.000 0.457 230 R N 1.424 121.537 120.500 -0.646 0.000 2.892 230 R HA 0.919 5.259 4.340 -0.000 0.000 0.265 230 R C -1.352 174.467 176.300 -0.803 0.000 1.025 230 R CA -0.734 55.052 56.100 -0.524 0.000 0.982 230 R CB 1.425 31.587 30.300 -0.229 0.000 1.185 230 R HN 0.669 nan 8.270 nan 0.000 0.484 231 F N -0.154 119.758 119.950 -0.064 0.000 2.641 231 F HA 0.333 4.860 4.527 -0.000 0.000 0.308 231 F C -0.334 175.303 175.800 -0.271 0.000 1.105 231 F CA -1.425 56.479 58.000 -0.160 0.000 0.964 231 F CB 1.079 39.892 39.000 -0.311 0.000 1.294 231 F HN 0.459 nan 8.300 nan 0.000 0.442 232 N N 0.288 118.960 118.700 -0.047 0.000 2.381 232 N HA 0.026 4.766 4.740 -0.000 0.000 0.241 232 N C 0.659 176.035 175.510 -0.224 0.000 1.279 232 N CA -0.024 52.969 53.050 -0.094 0.000 0.896 232 N CB 0.303 38.765 38.487 -0.041 0.000 1.118 232 N HN 0.724 nan 8.380 nan 0.000 0.438 233 D N -1.005 119.304 120.400 -0.152 0.000 2.332 233 D HA -0.276 4.364 4.640 -0.000 0.000 0.209 233 D C 0.309 176.524 176.300 -0.142 0.000 0.988 233 D CA 1.635 55.544 54.000 -0.152 0.000 0.912 233 D CB -0.323 40.451 40.800 -0.043 0.000 0.899 233 D HN 0.765 nan 8.370 nan 0.000 0.477 234 D N -1.746 118.601 120.400 -0.089 0.000 2.469 234 D HA -0.011 4.629 4.640 -0.000 0.000 0.215 234 D C 0.254 176.725 176.300 0.285 0.000 1.154 234 D CA -0.795 53.278 54.000 0.122 0.000 0.832 234 D CB -0.908 39.956 40.800 0.108 0.000 1.008 234 D HN 0.196 nan 8.370 nan 0.000 0.506 235 F N 0.350 120.348 119.950 0.081 0.000 2.988 235 F HA -0.290 4.237 4.527 -0.000 0.000 0.287 235 F C 1.596 177.461 175.800 0.107 0.000 0.781 235 F CA 0.793 58.850 58.000 0.094 0.000 1.221 235 F CB -2.543 36.414 39.000 -0.070 0.000 1.392 235 F HN 0.088 nan 8.300 nan 0.000 0.425 236 S N -1.311 114.491 115.700 0.170 0.000 2.425 236 S HA 0.117 4.587 4.470 -0.000 0.000 0.225 236 S C 0.807 175.462 174.600 0.092 0.000 1.024 236 S CA 0.318 58.589 58.200 0.118 0.000 0.951 236 S CB 0.202 63.447 63.200 0.074 0.000 0.796 236 S HN 0.434 nan 8.310 nan 0.000 0.498 237 R N 0.984 121.536 120.500 0.088 0.000 2.494 237 R HA 0.769 5.108 4.340 -0.000 0.000 0.305 237 R C -0.924 175.417 176.300 0.068 0.000 0.959 237 R CA -0.277 55.853 56.100 0.050 0.000 0.864 237 R CB 1.848 32.155 30.300 0.012 0.000 1.159 237 R HN 0.305 nan 8.270 nan 0.000 0.446 238 A N 2.232 125.066 122.820 0.023 0.000 2.350 238 A HA 0.780 5.100 4.320 -0.000 0.000 0.318 238 A C -0.957 176.589 177.584 -0.063 0.000 1.132 238 A CA -0.692 51.326 52.037 -0.032 0.000 0.811 238 A CB 1.783 20.827 19.000 0.074 0.000 1.313 238 A HN 0.410 nan 8.150 nan 0.000 0.454 239 V N 1.550 121.383 119.914 -0.134 0.000 2.524 239 V HA 0.344 4.463 4.120 -0.000 0.000 0.297 239 V C -1.153 174.869 176.094 -0.120 0.000 1.035 239 V CA -0.373 61.865 62.300 -0.103 0.000 0.867 239 V CB 1.352 33.105 31.823 -0.117 0.000 1.004 239 V HN 0.804 nan 8.190 nan 0.000 0.426 240 L N 4.654 125.842 121.223 -0.059 0.000 2.260 240 L HA 0.568 4.908 4.340 -0.000 0.000 0.289 240 L C -0.014 176.802 176.870 -0.091 0.000 1.057 240 L CA 0.526 55.306 54.840 -0.100 0.000 0.811 240 L CB 0.835 42.870 42.059 -0.040 0.000 1.184 240 L HN 0.728 nan 8.230 nan 0.000 0.429 241 E N 4.035 124.173 120.200 -0.103 0.000 2.155 241 E HA 0.670 5.020 4.350 -0.000 0.000 0.264 241 E C -1.239 175.334 176.600 -0.046 0.000 0.886 241 E CA -0.743 55.614 56.400 -0.072 0.000 0.752 241 E CB 1.535 31.191 29.700 -0.074 0.000 1.133 241 E HN 0.804 nan 8.360 nan 0.000 0.414 242 A N 4.128 126.929 122.820 -0.032 0.000 2.317 242 A HA 0.422 4.742 4.320 -0.000 0.000 0.327 242 A C -0.580 176.992 177.584 -0.020 0.000 1.178 242 A CA -0.551 51.489 52.037 0.004 0.000 0.817 242 A CB 1.126 20.127 19.000 0.001 0.000 1.189 242 A HN 0.664 nan 8.150 nan 0.000 0.489 243 E N 2.517 122.709 120.200 -0.013 0.000 2.255 243 E HA 0.533 4.883 4.350 -0.000 0.000 0.256 243 E C -1.719 174.819 176.600 -0.104 0.000 0.887 243 E CA -0.388 55.949 56.400 -0.104 0.000 0.782 243 E CB 1.494 31.075 29.700 -0.198 0.000 1.214 243 E HN 0.424 nan 8.360 nan 0.000 0.417 244 V N 3.725 123.604 119.914 -0.058 0.000 2.667 244 V HA 0.429 4.548 4.120 -0.000 0.000 0.308 244 V C -0.281 175.857 176.094 0.073 0.000 1.048 244 V CA -0.762 61.552 62.300 0.024 0.000 0.928 244 V CB 1.753 33.581 31.823 0.008 0.000 1.004 244 V HN 0.691 nan 8.190 nan 0.000 0.444 245 Q N 3.485 123.356 119.800 0.118 0.000 2.375 245 Q HA 0.774 5.114 4.340 -0.000 0.000 0.271 245 Q C -0.944 175.140 176.000 0.139 0.000 1.074 245 Q CA -0.774 55.102 55.803 0.122 0.000 0.808 245 Q CB 2.752 31.504 28.738 0.024 0.000 1.327 245 Q HN 0.858 nan 8.270 nan 0.000 0.441 246 M N -0.808 118.821 119.600 0.049 0.000 2.724 246 M HA 0.791 5.271 4.480 -0.000 0.000 0.310 246 M C -1.150 175.055 176.300 -0.158 0.000 1.217 246 M CA -0.548 54.687 55.300 -0.108 0.000 0.894 246 M CB 1.996 34.343 32.600 -0.422 0.000 1.719 246 M HN 0.541 nan 8.290 nan 0.000 0.479 247 C N 1.100 120.305 119.300 -0.158 0.000 2.707 247 C HA 0.998 5.458 4.460 -0.000 0.000 0.313 247 C C 0.598 175.494 174.990 -0.156 0.000 1.209 247 C CA 1.022 59.962 59.018 -0.130 0.000 1.635 247 C CB 0.990 28.677 27.740 -0.088 0.000 2.206 247 C HN 1.435 nan 8.230 nan 0.000 0.485 248 G N 3.384 112.106 108.800 -0.131 0.000 2.451 248 G HA2 -0.098 3.862 3.960 -0.000 0.000 0.208 248 G HA3 -0.098 3.862 3.960 -0.000 0.000 0.208 248 G C -0.784 174.033 174.900 -0.139 0.000 1.248 248 G CA -0.503 44.522 45.100 -0.125 0.000 0.989 248 G HN 0.831 nan 8.290 nan 0.000 0.559 249 E N 0.747 120.869 120.200 -0.130 0.000 1.858 249 E HA 0.400 4.750 4.350 -0.000 0.000 0.267 249 E C 0.708 177.202 176.600 -0.178 0.000 1.215 249 E CA -0.188 56.139 56.400 -0.122 0.000 0.952 249 E CB 0.311 29.966 29.700 -0.074 0.000 1.058 249 E HN 0.455 nan 8.360 nan 0.000 0.407 250 L N 4.002 125.109 121.223 -0.193 0.000 2.455 250 L HA 0.177 4.517 4.340 -0.000 0.000 0.272 250 L C 0.106 176.877 176.870 -0.166 0.000 1.174 250 L CA 0.603 55.300 54.840 -0.238 0.000 0.869 250 L CB 0.256 42.189 42.059 -0.209 0.000 1.130 250 L HN 0.472 nan 8.230 nan 0.000 0.474 251 R N 2.811 123.183 120.500 -0.213 0.000 2.542 251 R HA 0.037 4.377 4.340 -0.000 0.000 0.284 251 R C 0.510 176.718 176.300 -0.152 0.000 1.167 251 R CA -0.580 55.434 56.100 -0.144 0.000 1.000 251 R CB 1.237 31.480 30.300 -0.095 0.000 1.229 251 R HN 0.825 nan 8.270 nan 0.000 0.416 252 D N 3.063 123.485 120.400 0.037 0.000 3.305 252 D HA -0.308 4.332 4.640 -0.000 0.000 0.191 252 D C 0.832 177.208 176.300 0.127 0.000 1.175 252 D CA 2.275 56.332 54.000 0.094 0.000 0.927 252 D CB -0.013 40.869 40.800 0.136 0.000 0.871 252 D HN 0.711 nan 8.370 nan 0.000 0.498 253 Y N -0.376 119.929 120.300 0.008 0.000 2.466 253 Y HA 0.446 4.996 4.550 -0.000 0.000 0.272 253 Y C 1.154 177.051 175.900 -0.005 0.000 1.169 253 Y CA -1.005 57.097 58.100 0.004 0.000 1.285 253 Y CB -0.820 37.642 38.460 0.004 0.000 1.078 253 Y HN -0.118 nan 8.280 nan 0.000 0.523 254 L N 1.803 122.837 121.223 -0.315 0.000 2.473 254 L HA 0.307 4.647 4.340 -0.000 0.000 0.268 254 L C 0.181 176.976 176.870 -0.125 0.000 1.215 254 L CA -0.008 54.696 54.840 -0.226 0.000 0.823 254 L CB 0.387 42.370 42.059 -0.127 0.000 1.099 254 L HN 0.138 nan 8.230 nan 0.000 0.483 255 R N 0.165 120.511 120.500 -0.257 0.000 2.692 255 R HA 0.664 5.004 4.340 -0.000 0.000 0.269 255 R C -1.963 173.993 176.300 -0.574 0.000 1.030 255 R CA -0.584 55.259 56.100 -0.429 0.000 0.882 255 R CB 2.087 32.063 30.300 -0.540 0.000 1.250 255 R HN 0.230 nan 8.270 nan 0.000 0.465 256 V N 1.244 120.895 119.914 -0.437 0.000 2.623 256 V HA 0.606 4.726 4.120 -0.000 0.000 0.304 256 V C -0.709 175.347 176.094 -0.063 0.000 1.054 256 V CA -0.744 61.379 62.300 -0.295 0.000 0.882 256 V CB 2.174 33.723 31.823 -0.457 0.000 1.002 256 V HN 0.780 nan 8.190 nan 0.000 0.424 257 T N 3.838 118.463 114.554 0.119 0.000 2.829 257 T HA 0.736 5.086 4.350 -0.000 0.000 0.280 257 T C -0.588 174.108 174.700 -0.006 0.000 0.999 257 T CA -0.543 61.605 62.100 0.080 0.000 0.983 257 T CB 1.949 70.868 68.868 0.085 0.000 0.968 257 T HN 0.400 nan 8.240 nan 0.000 0.446 258 V N 3.135 123.026 119.914 -0.038 0.000 2.577 258 V HA 0.661 4.781 4.120 -0.000 0.000 0.303 258 V C -0.431 175.629 176.094 -0.057 0.000 1.042 258 V CA -0.874 61.399 62.300 -0.045 0.000 0.872 258 V CB 1.979 33.770 31.823 -0.055 0.000 0.998 258 V HN 1.081 nan 8.190 nan 0.000 0.423 259 S N 4.912 120.587 115.700 -0.042 0.000 2.526 259 S HA 0.864 5.334 4.470 -0.000 0.000 0.293 259 S C -1.079 173.473 174.600 -0.081 0.000 1.092 259 S CA -0.760 57.359 58.200 -0.134 0.000 0.980 259 S CB 2.342 65.419 63.200 -0.204 0.000 1.048 259 S HN 0.541 nan 8.310 nan 0.000 0.483 260 L N 2.257 123.371 121.223 -0.182 0.000 2.322 260 L HA 0.790 5.130 4.340 -0.000 0.000 0.281 260 L C -1.792 175.063 176.870 -0.025 0.000 1.014 260 L CA -0.170 54.666 54.840 -0.006 0.000 0.815 260 L CB 0.700 42.753 42.059 -0.010 0.000 1.247 260 L HN 0.893 nan 8.230 nan 0.000 0.421 261 W N 3.000 124.396 121.300 0.161 0.000 2.902 261 W HA 0.648 5.308 4.660 -0.000 0.000 0.346 261 W C -0.756 175.917 176.519 0.256 0.000 1.139 261 W CA -0.535 56.909 57.345 0.164 0.000 1.139 261 W CB 1.414 30.922 29.460 0.080 0.000 1.439 261 W HN 0.367 nan 8.180 nan 0.000 0.558 262 Q N 1.568 121.653 119.800 0.475 0.000 2.533 262 Q HA 0.465 4.805 4.340 -0.000 0.000 0.251 262 Q C 0.475 176.566 176.000 0.153 0.000 0.966 262 Q CA 0.564 56.487 55.803 0.200 0.000 0.714 262 Q CB 0.824 29.619 28.738 0.097 0.000 1.284 262 Q HN 0.778 nan 8.270 nan 0.000 0.478 263 G N 3.053 111.904 108.800 0.084 0.000 2.609 263 G HA2 -0.337 3.623 3.960 -0.000 0.000 0.288 263 G HA3 -0.337 3.623 3.960 -0.000 0.000 0.288 263 G C 0.459 175.376 174.900 0.028 0.000 1.211 263 G CA 0.482 45.603 45.100 0.035 0.000 0.963 263 G HN 0.600 nan 8.290 nan 0.000 0.541 264 E N 0.922 121.171 120.200 0.082 0.000 2.539 264 E HA 0.187 4.537 4.350 -0.000 0.000 0.215 264 E C 0.143 176.939 176.600 0.327 0.000 0.965 264 E CA 0.596 57.043 56.400 0.079 0.000 1.019 264 E CB 0.712 30.430 29.700 0.029 0.000 1.059 264 E HN 0.515 nan 8.360 nan 0.000 0.496 265 T N 1.344 116.109 114.554 0.352 0.000 2.817 265 T HA 0.150 4.500 4.350 -0.000 0.000 0.293 265 T C 0.023 174.966 174.700 0.405 0.000 0.964 265 T CA -0.391 61.901 62.100 0.319 0.000 1.085 265 T CB 1.850 70.818 68.868 0.167 0.000 0.921 265 T HN -0.017 nan 8.240 nan 0.000 0.502 266 Q N 2.912 122.681 119.800 -0.051 0.000 2.303 266 Q HA 0.294 4.634 4.340 -0.000 0.000 0.257 266 Q C 0.244 176.026 176.000 -0.364 0.000 0.941 266 Q CA -0.611 54.742 55.803 -0.749 0.000 0.931 266 Q CB 1.045 28.710 28.738 -1.789 0.000 1.215 266 Q HN 0.591 nan 8.270 nan 0.000 0.437 267 V N 2.511 122.272 119.914 -0.255 0.000 2.649 267 V HA 0.251 4.371 4.120 -0.000 0.000 0.248 267 V C 0.613 176.611 176.094 -0.159 0.000 1.054 267 V CA 1.092 63.327 62.300 -0.109 0.000 1.073 267 V CB -0.519 31.325 31.823 0.034 0.000 0.699 267 V HN 0.785 nan 8.190 nan 0.000 0.463 268 A N -1.272 121.403 122.820 -0.241 0.000 2.586 268 A HA 0.672 4.992 4.320 -0.000 0.000 0.296 268 A C -0.788 176.670 177.584 -0.209 0.000 1.040 268 A CA -0.062 51.862 52.037 -0.188 0.000 0.701 268 A CB 1.360 20.287 19.000 -0.121 0.000 1.277 268 A HN 0.003 nan 8.150 nan 0.000 0.413 269 S N -0.830 114.773 115.700 -0.162 0.000 2.599 269 S HA 0.909 5.379 4.470 -0.000 0.000 0.294 269 S C -0.268 174.275 174.600 -0.096 0.000 1.094 269 S CA 0.108 58.224 58.200 -0.141 0.000 0.931 269 S CB 1.929 65.038 63.200 -0.153 0.000 1.093 269 S HN 2.201 nan 8.310 nan 0.000 0.488 270 G N 1.623 110.376 108.800 -0.080 0.000 2.684 270 G HA2 0.541 4.501 3.960 -0.000 0.000 0.289 270 G HA3 0.541 4.501 3.960 -0.000 0.000 0.289 270 G C -1.308 173.561 174.900 -0.052 0.000 1.416 270 G CA -0.338 44.722 45.100 -0.066 0.000 1.235 270 G HN 0.626 nan 8.290 nan 0.000 0.576 271 T N 0.305 114.835 114.554 -0.041 0.000 2.876 271 T HA 0.924 5.274 4.350 -0.000 0.000 0.289 271 T C -0.154 174.515 174.700 -0.052 0.000 1.014 271 T CA 0.144 62.235 62.100 -0.016 0.000 0.986 271 T CB 1.870 70.760 68.868 0.037 0.000 1.021 271 T HN 1.838 nan 8.240 nan 0.000 0.458 272 A N 3.402 126.167 122.820 -0.093 0.000 2.550 272 A HA 0.747 5.067 4.320 -0.000 0.000 0.295 272 A C -3.266 174.189 177.584 -0.216 0.000 1.001 272 A CA -1.287 50.675 52.037 -0.126 0.000 0.660 272 A CB 0.756 19.683 19.000 -0.121 0.000 1.308 272 A HN 0.521 nan 8.150 nan 0.000 0.426 273 P HA 0.637 nan 4.420 nan 0.000 0.282 273 P C -0.270 176.909 177.300 -0.202 0.000 1.259 273 P CA -0.320 62.686 63.100 -0.156 0.000 0.826 273 P CB 0.368 32.044 31.700 -0.039 0.000 1.064 274 F N 0.320 120.222 119.950 -0.079 0.000 2.521 274 F HA 0.368 4.895 4.527 -0.000 0.000 0.298 274 F C 1.719 177.496 175.800 -0.037 0.000 1.289 274 F CA 1.871 59.834 58.000 -0.060 0.000 1.315 274 F CB -0.612 38.348 39.000 -0.067 0.000 1.257 274 F HN 0.642 nan 8.300 nan 0.000 0.541 275 G N 0.322 109.263 108.800 0.235 0.000 3.439 275 G HA2 0.333 4.293 3.960 -0.000 0.000 0.684 275 G HA3 0.333 4.293 3.960 -0.000 0.000 0.684 275 G C -0.465 174.480 174.900 0.075 0.000 1.005 275 G CA -0.657 44.518 45.100 0.126 0.000 0.837 275 G HN 1.106 nan 8.290 nan 0.000 0.470 276 G N 0.929 109.783 108.800 0.090 0.000 2.667 276 G HA2 0.839 4.799 3.960 -0.000 0.000 0.310 276 G HA3 0.839 4.799 3.960 -0.000 0.000 0.310 276 G C 0.199 175.134 174.900 0.057 0.000 1.259 276 G CA -0.180 44.961 45.100 0.068 0.000 1.019 276 G HN 0.990 nan 8.290 nan 0.000 0.496 277 E N -0.895 119.331 120.200 0.044 0.000 2.435 277 E HA 0.169 4.519 4.350 -0.000 0.000 0.256 277 E C -0.611 176.006 176.600 0.029 0.000 1.245 277 E CA -0.350 56.067 56.400 0.029 0.000 0.989 277 E CB 0.778 30.488 29.700 0.016 0.000 0.983 277 E HN 0.171 nan 8.360 nan 0.000 0.480 278 I N 1.698 122.274 120.570 0.010 0.000 2.452 278 I HA -0.041 4.129 4.170 -0.000 0.000 0.287 278 I C 1.071 177.190 176.117 0.003 0.000 1.079 278 I CA 0.504 61.802 61.300 -0.003 0.000 1.387 278 I CB 0.407 38.401 38.000 -0.010 0.000 1.404 278 I HN 0.550 nan 8.210 nan 0.000 0.522 279 I N 2.074 122.642 120.570 -0.004 0.000 3.172 279 I HA 0.272 4.442 4.170 -0.000 0.000 0.278 279 I C -0.039 176.073 176.117 -0.008 0.000 1.174 279 I CA 0.337 61.643 61.300 0.010 0.000 1.445 279 I CB 0.183 38.215 38.000 0.053 0.000 1.175 279 I HN 0.537 nan 8.210 nan 0.000 0.447 280 D N 0.157 120.540 120.400 -0.028 0.000 2.989 280 D HA 0.227 4.867 4.640 -0.000 0.000 0.284 280 D C 0.592 176.874 176.300 -0.030 0.000 1.212 280 D CA -0.474 53.511 54.000 -0.026 0.000 1.055 280 D CB 0.525 41.308 40.800 -0.029 0.000 1.351 280 D HN -0.101 nan 8.370 nan 0.000 0.611 281 E N -0.710 119.472 120.200 -0.029 0.000 2.106 281 E HA -0.005 4.345 4.350 -0.000 0.000 0.192 281 E C 1.857 178.436 176.600 -0.036 0.000 0.984 281 E CA 0.947 57.331 56.400 -0.028 0.000 0.806 281 E CB -0.001 29.686 29.700 -0.023 0.000 0.750 281 E HN 0.243 nan 8.360 nan 0.000 0.458 282 R N -0.182 120.289 120.500 -0.047 0.000 2.235 282 R HA 0.130 4.470 4.340 -0.000 0.000 0.213 282 R C 0.956 177.214 176.300 -0.070 0.000 1.059 282 R CA 0.884 56.949 56.100 -0.058 0.000 0.997 282 R CB 0.288 30.548 30.300 -0.067 0.000 0.884 282 R HN 0.228 nan 8.270 nan 0.000 0.462 283 G N -0.862 107.893 108.800 -0.074 0.000 2.292 283 G HA2 0.156 4.115 3.960 -0.000 0.000 0.194 283 G HA3 0.156 4.115 3.960 -0.000 0.000 0.194 283 G C -1.069 173.775 174.900 -0.092 0.000 1.329 283 G CA -0.574 44.480 45.100 -0.077 0.000 1.100 283 G HN 0.404 nan 8.290 nan 0.000 0.470 284 G N -1.665 107.071 108.800 -0.107 0.000 2.672 284 G HA2 0.640 4.600 3.960 -0.000 0.000 0.292 284 G HA3 0.640 4.600 3.960 -0.000 0.000 0.292 284 G C -1.518 173.287 174.900 -0.160 0.000 1.375 284 G CA -0.710 44.334 45.100 -0.093 0.000 0.890 284 G HN 0.688 nan 8.290 nan 0.000 0.476 285 Y N 0.828 121.128 120.300 0.001 0.000 2.569 285 Y HA 0.325 4.875 4.550 -0.000 0.000 0.332 285 Y C 1.553 177.463 175.900 0.017 0.000 1.120 285 Y CA 0.744 58.847 58.100 0.005 0.000 1.416 285 Y CB 1.592 40.057 38.460 0.010 0.000 1.210 285 Y HN 0.599 nan 8.280 nan 0.000 0.528 286 A N 1.972 124.853 122.820 0.102 0.000 1.975 286 A HA -0.101 4.219 4.320 -0.000 0.000 0.215 286 A C 1.353 178.990 177.584 0.088 0.000 1.170 286 A CA 1.117 53.195 52.037 0.068 0.000 0.656 286 A CB -0.263 18.738 19.000 0.001 0.000 0.821 286 A HN 0.807 nan 8.150 nan 0.000 0.449 287 D N -0.631 119.817 120.400 0.079 0.000 2.325 287 D HA 0.107 4.747 4.640 -0.000 0.000 0.225 287 D C 0.630 177.046 176.300 0.193 0.000 1.096 287 D CA 0.005 53.981 54.000 -0.040 0.000 0.844 287 D CB -0.013 40.736 40.800 -0.086 0.000 0.925 287 D HN 0.327 nan 8.370 nan 0.000 0.513 288 R N -0.258 120.427 120.500 0.309 0.000 2.873 288 R HA 0.740 5.080 4.340 -0.000 0.000 0.264 288 R C -1.268 175.165 176.300 0.222 0.000 1.026 288 R CA -1.206 55.050 56.100 0.260 0.000 1.002 288 R CB 3.020 33.360 30.300 0.067 0.000 1.174 288 R HN 0.004 nan 8.270 nan 0.000 0.488 289 V N 0.310 120.244 119.914 0.033 0.000 2.852 289 V HA 0.397 4.517 4.120 -0.000 0.000 0.300 289 V C -1.519 174.506 176.094 -0.115 0.000 1.205 289 V CA -0.233 61.998 62.300 -0.115 0.000 0.940 289 V CB 2.463 34.050 31.823 -0.393 0.000 1.047 289 V HN 0.771 nan 8.190 nan 0.000 0.429 290 T N 8.069 122.568 114.554 -0.091 0.000 2.786 290 T HA 0.726 5.076 4.350 -0.000 0.000 0.283 290 T C -0.701 173.951 174.700 -0.080 0.000 0.992 290 T CA -0.218 61.834 62.100 -0.079 0.000 0.954 290 T CB 1.062 69.895 68.868 -0.058 0.000 0.934 290 T HN 0.554 nan 8.240 nan 0.000 0.440 291 L N 3.193 124.369 121.223 -0.079 0.000 2.352 291 L HA 0.657 4.997 4.340 -0.000 0.000 0.269 291 L C 0.554 177.387 176.870 -0.062 0.000 1.034 291 L CA -0.624 54.172 54.840 -0.074 0.000 0.806 291 L CB 0.980 42.991 42.059 -0.081 0.000 1.244 291 L HN 0.399 nan 8.230 nan 0.000 0.447 292 R N 2.705 123.169 120.500 -0.061 0.000 2.507 292 R HA 0.561 4.901 4.340 -0.000 0.000 0.298 292 R C -1.586 174.680 176.300 -0.057 0.000 1.087 292 R CA -0.594 55.471 56.100 -0.059 0.000 0.917 292 R CB 1.417 31.683 30.300 -0.056 0.000 1.173 292 R HN 0.456 nan 8.270 nan 0.000 0.472 293 L N 2.379 123.569 121.223 -0.055 0.000 2.322 293 L HA 0.447 4.787 4.340 -0.000 0.000 0.279 293 L C 0.134 176.977 176.870 -0.046 0.000 1.036 293 L CA -0.783 54.026 54.840 -0.053 0.000 0.807 293 L CB 1.566 43.594 42.059 -0.051 0.000 1.226 293 L HN 0.469 nan 8.230 nan 0.000 0.433 294 N N 1.759 120.429 118.700 -0.050 0.000 2.421 294 N HA 0.449 5.189 4.740 -0.000 0.000 0.285 294 N C -1.118 174.358 175.510 -0.056 0.000 1.027 294 N CA -0.298 52.723 53.050 -0.048 0.000 0.918 294 N CB 2.757 41.217 38.487 -0.046 0.000 1.152 294 N HN 0.198 nan 8.380 nan 0.000 0.485 295 V N 2.125 122.002 119.914 -0.063 0.000 2.531 295 V HA 0.309 4.429 4.120 -0.000 0.000 0.301 295 V C -0.120 175.917 176.094 -0.095 0.000 1.034 295 V CA -0.781 61.448 62.300 -0.118 0.000 0.865 295 V CB 2.148 33.812 31.823 -0.264 0.000 0.995 295 V HN 0.542 nan 8.190 nan 0.000 0.424 296 E N 3.511 123.668 120.200 -0.071 0.000 2.166 296 E HA 0.360 4.710 4.350 -0.000 0.000 0.275 296 E C -0.385 176.200 176.600 -0.024 0.000 0.941 296 E CA -0.573 55.808 56.400 -0.033 0.000 0.784 296 E CB 1.000 30.688 29.700 -0.020 0.000 1.115 296 E HN 0.694 nan 8.360 nan 0.000 0.399 297 N N 1.882 120.586 118.700 0.007 0.000 2.714 297 N HA -0.119 4.621 4.740 -0.000 0.000 0.252 297 N C -2.435 173.079 175.510 0.005 0.000 1.014 297 N CA 0.447 53.512 53.050 0.024 0.000 0.735 297 N CB -1.385 37.116 38.487 0.023 0.000 0.924 297 N HN 0.408 nan 8.380 nan 0.000 0.540 298 P HA 0.049 nan 4.420 nan 0.000 0.270 298 P C 0.050 177.358 177.300 0.014 0.000 1.223 298 P CA 0.288 63.297 63.100 -0.151 0.000 0.785 298 P CB 0.801 32.154 31.700 -0.579 0.000 0.923 299 K N 1.748 122.247 120.400 0.165 0.000 2.285 299 K HA 0.315 4.635 4.320 -0.000 0.000 0.286 299 K C 0.157 176.881 176.600 0.206 0.000 1.072 299 K CA -0.469 55.892 56.287 0.122 0.000 0.913 299 K CB 0.237 32.746 32.500 0.016 0.000 1.067 299 K HN 0.398 nan 8.250 nan 0.000 0.479 300 L N 2.623 123.907 121.223 0.102 0.000 2.439 300 L HA 0.202 4.542 4.340 -0.000 0.000 0.269 300 L C -0.118 176.834 176.870 0.137 0.000 1.179 300 L CA -0.372 54.530 54.840 0.104 0.000 0.828 300 L CB 0.386 42.351 42.059 -0.156 0.000 1.106 300 L HN 0.653 nan 8.230 nan 0.000 0.467 301 W N 3.495 124.809 121.300 0.023 0.000 2.429 301 W HA 0.471 5.131 4.660 -0.000 0.000 0.314 301 W C -0.197 176.288 176.519 -0.058 0.000 1.062 301 W CA -0.168 57.190 57.345 0.022 0.000 1.211 301 W CB 1.445 30.976 29.460 0.118 0.000 1.305 301 W HN 0.588 nan 8.180 nan 0.000 0.476 302 S N 3.259 118.544 115.700 -0.691 0.000 2.638 302 S HA 0.691 5.161 4.470 -0.000 0.000 0.274 302 S C 0.236 174.180 174.600 -1.094 0.000 1.157 302 S CA -0.343 57.494 58.200 -0.606 0.000 0.826 302 S CB 1.361 64.392 63.200 -0.281 0.000 1.139 302 S HN 0.927 nan 8.310 nan 0.000 0.474 303 A N 0.389 122.794 122.820 -0.691 0.000 2.066 303 A HA 0.062 4.382 4.320 -0.000 0.000 0.218 303 A C 1.774 179.052 177.584 -0.511 0.000 1.157 303 A CA 1.268 52.779 52.037 -0.877 0.000 0.670 303 A CB -0.930 17.255 19.000 -1.357 0.000 0.804 303 A HN 0.883 nan 8.150 nan 0.000 0.453 304 E N -0.556 119.477 120.200 -0.278 0.000 2.072 304 E HA -0.034 4.316 4.350 -0.000 0.000 0.191 304 E C -0.174 176.291 176.600 -0.224 0.000 0.985 304 E CA 0.922 57.205 56.400 -0.196 0.000 0.801 304 E CB -0.079 29.623 29.700 0.003 0.000 0.750 304 E HN 0.667 nan 8.360 nan 0.000 0.452 305 I N 1.028 121.436 120.570 -0.270 0.000 2.714 305 I HA 0.142 4.312 4.170 -0.000 0.000 0.274 305 I C -2.511 173.394 176.117 -0.354 0.000 1.261 305 I CA -1.724 59.438 61.300 -0.230 0.000 1.008 305 I CB 1.849 39.767 38.000 -0.137 0.000 1.289 305 I HN -0.220 nan 8.210 nan 0.000 0.529 306 P HA -0.012 nan 4.420 nan 0.000 0.251 306 P C -0.372 176.902 177.300 -0.044 0.000 1.624 306 P CA 0.079 62.838 63.100 -0.569 0.000 0.907 306 P CB -0.424 31.103 31.700 -0.289 0.000 1.867 307 N N 1.338 120.037 118.700 -0.003 0.000 2.411 307 N HA 0.039 4.779 4.740 -0.000 0.000 0.261 307 N C 0.238 175.923 175.510 0.293 0.000 1.248 307 N CA 0.567 53.674 53.050 0.094 0.000 0.885 307 N CB 0.750 39.273 38.487 0.060 0.000 1.062 307 N HN 0.277 nan 8.380 nan 0.000 0.471 308 L N 2.145 123.452 121.223 0.141 0.000 2.301 308 L HA 0.535 4.875 4.340 -0.000 0.000 0.264 308 L C -0.936 175.960 176.870 0.045 0.000 1.016 308 L CA -0.845 54.115 54.840 0.201 0.000 0.821 308 L CB 1.313 43.484 42.059 0.186 0.000 1.346 308 L HN 0.436 nan 8.230 nan 0.000 0.429 309 Y N -0.216 120.210 120.300 0.211 0.000 2.534 309 Y HA 0.451 5.001 4.550 -0.000 0.000 0.345 309 Y C -0.272 175.736 175.900 0.180 0.000 1.031 309 Y CA -0.701 57.531 58.100 0.219 0.000 1.022 309 Y CB 2.353 40.999 38.460 0.310 0.000 1.292 309 Y HN 0.428 nan 8.280 nan 0.000 0.459 310 R N 1.625 122.343 120.500 0.364 0.000 2.457 310 R HA 0.878 5.218 4.340 -0.000 0.000 0.284 310 R C -1.370 175.113 176.300 0.304 0.000 1.024 310 R CA -0.432 55.814 56.100 0.244 0.000 1.025 310 R CB 0.979 31.326 30.300 0.079 0.000 1.063 310 R HN 0.755 nan 8.270 nan 0.000 0.493 311 A N 3.526 126.467 122.820 0.201 0.000 2.414 311 A HA 0.510 4.830 4.320 -0.000 0.000 0.286 311 A C -1.424 176.219 177.584 0.099 0.000 1.073 311 A CA -0.696 51.448 52.037 0.180 0.000 0.727 311 A CB 1.254 20.340 19.000 0.143 0.000 1.215 311 A HN 0.451 nan 8.150 nan 0.000 0.430 312 V N 1.426 121.405 119.914 0.108 0.000 2.581 312 V HA 0.664 4.784 4.120 -0.000 0.000 0.303 312 V C -0.179 175.889 176.094 -0.043 0.000 1.041 312 V CA -0.805 61.501 62.300 0.010 0.000 0.907 312 V CB 1.636 33.467 31.823 0.014 0.000 0.994 312 V HN 0.614 nan 8.190 nan 0.000 0.442 313 V N 3.763 123.599 119.914 -0.131 0.000 2.304 313 V HA 0.385 4.505 4.120 -0.000 0.000 0.278 313 V C 0.009 176.048 176.094 -0.092 0.000 1.018 313 V CA -0.552 61.651 62.300 -0.162 0.000 0.814 313 V CB 0.757 32.362 31.823 -0.363 0.000 1.021 313 V HN 1.025 nan 8.190 nan 0.000 0.440 314 E N 4.748 124.938 120.200 -0.016 0.000 2.174 314 E HA 0.554 4.904 4.350 -0.000 0.000 0.282 314 E C -0.951 175.734 176.600 0.142 0.000 0.992 314 E CA -0.980 55.458 56.400 0.062 0.000 0.803 314 E CB 2.660 32.395 29.700 0.058 0.000 1.090 314 E HN 0.417 nan 8.360 nan 0.000 0.396 315 L N 5.337 126.619 121.223 0.097 0.000 2.264 315 L HA 0.228 4.568 4.340 -0.000 0.000 0.287 315 L C -0.431 176.508 176.870 0.115 0.000 1.039 315 L CA -0.042 54.830 54.840 0.053 0.000 0.829 315 L CB -0.094 41.973 42.059 0.014 0.000 1.211 315 L HN 0.679 nan 8.230 nan 0.000 0.427 316 H N 1.522 120.592 119.070 0.001 0.000 3.971 316 H HA 0.780 5.335 4.556 -0.000 0.000 0.370 316 H C -0.959 174.388 175.328 0.032 0.000 1.647 316 H CA -0.213 55.845 56.048 0.016 0.000 1.211 316 H CB 0.953 30.724 29.762 0.015 0.000 1.343 316 H HN 0.394 nan 8.280 nan 0.000 0.748 317 T N -3.380 111.281 114.554 0.179 0.000 2.906 317 T HA 0.584 4.934 4.350 -0.000 0.000 0.295 317 T C 1.139 175.980 174.700 0.236 0.000 1.061 317 T CA -0.280 61.912 62.100 0.154 0.000 1.000 317 T CB 2.276 71.322 68.868 0.298 0.000 1.103 317 T HN 0.809 nan 8.240 nan 0.000 0.486 318 A N 2.558 125.490 122.820 0.187 0.000 1.882 318 A HA -0.293 4.027 4.320 -0.000 0.000 0.220 318 A C 1.948 179.627 177.584 0.158 0.000 1.253 318 A CA 3.083 55.218 52.037 0.162 0.000 0.664 318 A CB -1.766 17.313 19.000 0.131 0.000 0.838 318 A HN 1.132 nan 8.150 nan 0.000 0.460 319 D N -2.192 118.285 120.400 0.129 0.000 2.154 319 D HA 0.108 4.748 4.640 -0.000 0.000 0.190 319 D C 1.360 177.716 176.300 0.094 0.000 1.003 319 D CA 2.810 56.863 54.000 0.088 0.000 0.849 319 D CB -0.671 40.166 40.800 0.062 0.000 0.942 319 D HN 1.164 nan 8.370 nan 0.000 0.446 320 G N -2.635 106.245 108.800 0.134 0.000 3.658 320 G HA2 -0.113 3.847 3.960 -0.000 0.000 0.220 320 G HA3 -0.113 3.847 3.960 -0.000 0.000 0.220 320 G C 0.086 175.046 174.900 0.100 0.000 0.917 320 G CA 0.067 45.224 45.100 0.096 0.000 0.865 320 G HN 0.378 nan 8.290 nan 0.000 0.652 321 T N 2.453 117.084 114.554 0.127 0.000 2.778 321 T HA 0.288 4.637 4.350 -0.000 0.000 0.282 321 T C 0.517 175.306 174.700 0.149 0.000 0.983 321 T CA 0.348 62.519 62.100 0.118 0.000 1.193 321 T CB 1.003 69.946 68.868 0.123 0.000 0.938 321 T HN 0.439 nan 8.240 nan 0.000 0.523 322 L N 4.243 125.529 121.223 0.104 0.000 2.371 322 L HA 0.395 4.735 4.340 -0.000 0.000 0.272 322 L C 0.485 177.407 176.870 0.087 0.000 1.124 322 L CA -0.247 54.658 54.840 0.108 0.000 0.816 322 L CB 0.596 42.693 42.059 0.062 0.000 1.129 322 L HN 0.626 nan 8.230 nan 0.000 0.448 323 I N 1.997 122.614 120.570 0.077 0.000 3.812 323 I HA 0.317 4.486 4.170 -0.000 0.000 0.292 323 I C 0.143 176.268 176.117 0.014 0.000 1.206 323 I CA 0.207 61.529 61.300 0.037 0.000 1.370 323 I CB 0.426 38.434 38.000 0.014 0.000 1.328 323 I HN 0.573 nan 8.210 nan 0.000 0.453 324 E N 0.144 120.356 120.200 0.019 0.000 2.388 324 E HA 0.687 5.037 4.350 -0.000 0.000 0.282 324 E C -1.808 174.805 176.600 0.022 0.000 1.026 324 E CA -0.614 55.788 56.400 0.003 0.000 0.820 324 E CB 2.549 32.206 29.700 -0.072 0.000 1.226 324 E HN 0.063 nan 8.360 nan 0.000 0.432 325 A N 2.925 125.783 122.820 0.063 0.000 2.393 325 A HA 0.703 5.022 4.320 -0.000 0.000 0.306 325 A C -1.006 176.668 177.584 0.150 0.000 1.050 325 A CA -0.596 51.479 52.037 0.063 0.000 0.724 325 A CB 1.602 20.630 19.000 0.046 0.000 1.248 325 A HN 0.435 nan 8.150 nan 0.000 0.424 326 E N -0.043 120.170 120.200 0.021 0.000 2.367 326 E HA 0.763 5.113 4.350 -0.000 0.000 0.273 326 E C -0.758 175.806 176.600 -0.060 0.000 0.903 326 E CA -0.662 55.787 56.400 0.081 0.000 0.764 326 E CB 2.615 32.287 29.700 -0.047 0.000 1.252 326 E HN 1.070 nan 8.360 nan 0.000 0.446 327 A N 0.414 123.303 122.820 0.115 0.000 2.602 327 A HA 0.808 5.127 4.320 -0.000 0.000 0.290 327 A C -1.160 176.587 177.584 0.272 0.000 1.114 327 A CA -0.599 51.483 52.037 0.075 0.000 0.683 327 A CB 1.047 20.008 19.000 -0.065 0.000 1.281 327 A HN 0.797 nan 8.150 nan 0.000 0.416 328 C N -0.544 118.890 119.300 0.223 0.000 3.239 328 C HA 0.765 5.225 4.460 -0.000 0.000 0.317 328 C C -1.078 173.996 174.990 0.140 0.000 1.310 328 C CA -1.058 58.087 59.018 0.211 0.000 1.371 328 C CB 1.130 29.018 27.740 0.247 0.000 1.714 328 C HN 0.833 nan 8.230 nan 0.000 0.473 329 D N 0.682 121.146 120.400 0.107 0.000 2.302 329 D HA 0.474 5.114 4.640 -0.000 0.000 0.248 329 D C -0.692 175.663 176.300 0.091 0.000 1.094 329 D CA 0.166 54.235 54.000 0.116 0.000 0.897 329 D CB 2.056 42.925 40.800 0.115 0.000 1.200 329 D HN 0.446 nan 8.370 nan 0.000 0.429 330 V N 1.223 121.235 119.914 0.163 0.000 2.531 330 V HA 0.508 4.628 4.120 -0.000 0.000 0.301 330 V C 0.437 176.648 176.094 0.196 0.000 1.034 330 V CA -0.689 61.668 62.300 0.094 0.000 0.865 330 V CB 1.972 33.812 31.823 0.028 0.000 0.995 330 V HN 0.639 nan 8.190 nan 0.000 0.424 331 G N 3.319 112.117 108.800 -0.004 0.000 2.416 331 G HA2 0.641 4.601 3.960 -0.000 0.000 0.324 331 G HA3 0.641 4.601 3.960 -0.000 0.000 0.324 331 G C -1.210 173.741 174.900 0.086 0.000 1.194 331 G CA -0.361 44.790 45.100 0.086 0.000 0.922 331 G HN 0.435 nan 8.290 nan 0.000 0.467 332 F N 2.070 122.200 119.950 0.299 0.000 2.313 332 F HA 0.532 5.059 4.527 -0.000 0.000 0.369 332 F C 0.870 176.872 175.800 0.336 0.000 1.109 332 F CA -0.492 57.729 58.000 0.369 0.000 1.132 332 F CB 1.154 40.412 39.000 0.431 0.000 1.291 332 F HN 0.507 nan 8.300 nan 0.000 0.496 333 R N 0.957 121.713 120.500 0.427 0.000 2.734 333 R HA 0.595 4.935 4.340 -0.000 0.000 0.271 333 R C -1.570 174.872 176.300 0.236 0.000 1.021 333 R CA -1.154 55.065 56.100 0.198 0.000 0.893 333 R CB 1.935 32.377 30.300 0.238 0.000 1.244 333 R HN 0.359 nan 8.270 nan 0.000 0.464 334 E N 1.639 121.896 120.200 0.095 0.000 2.244 334 E HA 0.330 4.680 4.350 -0.000 0.000 0.260 334 E C -1.355 175.313 176.600 0.114 0.000 0.884 334 E CA -0.798 55.729 56.400 0.212 0.000 0.777 334 E CB 2.226 32.128 29.700 0.337 0.000 1.197 334 E HN 0.418 nan 8.360 nan 0.000 0.416 335 V N 5.568 125.539 119.914 0.096 0.000 2.394 335 V HA 0.556 4.676 4.120 -0.000 0.000 0.282 335 V C -0.028 176.103 176.094 0.062 0.000 1.031 335 V CA -0.427 61.902 62.300 0.049 0.000 0.881 335 V CB 1.235 33.064 31.823 0.010 0.000 0.982 335 V HN 0.660 nan 8.190 nan 0.000 0.451 336 R N 5.069 125.601 120.500 0.054 0.000 2.560 336 R HA 0.443 4.783 4.340 -0.000 0.000 0.267 336 R C -1.945 174.381 176.300 0.043 0.000 1.150 336 R CA -0.772 55.363 56.100 0.058 0.000 0.997 336 R CB 1.234 31.584 30.300 0.083 0.000 1.250 336 R HN 0.599 nan 8.270 nan 0.000 0.433 337 I N 3.735 124.327 120.570 0.036 0.000 2.329 337 I HA 0.126 4.296 4.170 -0.000 0.000 0.295 337 I C 0.083 176.218 176.117 0.030 0.000 1.109 337 I CA 0.135 61.450 61.300 0.026 0.000 1.297 337 I CB 0.828 38.844 38.000 0.026 0.000 1.433 337 I HN 0.630 nan 8.210 nan 0.000 0.509 338 E N 7.346 127.563 120.200 0.029 0.000 2.158 338 E HA 0.164 4.514 4.350 -0.000 0.000 0.271 338 E C -0.259 176.354 176.600 0.021 0.000 0.911 338 E CA -0.786 55.632 56.400 0.030 0.000 0.767 338 E CB 0.964 30.688 29.700 0.039 0.000 1.120 338 E HN 0.492 nan 8.360 nan 0.000 0.405 339 N N 3.577 122.288 118.700 0.019 0.000 2.560 339 N HA -0.218 4.522 4.740 -0.000 0.000 0.296 339 N C 0.697 176.212 175.510 0.007 0.000 1.257 339 N CA 1.543 54.601 53.050 0.014 0.000 0.717 339 N CB -0.952 37.543 38.487 0.014 0.000 0.951 339 N HN 1.002 nan 8.380 nan 0.000 0.542 340 G N 1.232 110.035 108.800 0.004 0.000 2.279 340 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.269 340 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.269 340 G C 0.318 175.209 174.900 -0.014 0.000 0.992 340 G CA 1.265 46.362 45.100 -0.005 0.000 0.656 340 G HN 0.610 nan 8.290 nan 0.000 0.551 341 L N -0.347 120.871 121.223 -0.008 0.000 2.334 341 L HA 0.665 5.005 4.340 -0.000 0.000 0.276 341 L C 0.034 176.897 176.870 -0.012 0.000 1.014 341 L CA -1.300 53.531 54.840 -0.016 0.000 0.815 341 L CB 1.815 43.867 42.059 -0.012 0.000 1.268 341 L HN 0.074 nan 8.230 nan 0.000 0.428 342 L N 4.758 125.964 121.223 -0.028 0.000 2.261 342 L HA 0.487 4.827 4.340 -0.000 0.000 0.289 342 L C -0.812 176.043 176.870 -0.025 0.000 1.059 342 L CA 0.205 55.029 54.840 -0.026 0.000 0.816 342 L CB 0.417 42.448 42.059 -0.047 0.000 1.191 342 L HN 0.380 nan 8.230 nan 0.000 0.431 343 L N 5.153 126.374 121.223 -0.002 0.000 2.333 343 L HA 0.625 4.965 4.340 -0.000 0.000 0.269 343 L C -0.673 176.204 176.870 0.011 0.000 1.010 343 L CA -0.749 54.096 54.840 0.009 0.000 0.818 343 L CB 1.735 43.817 42.059 0.038 0.000 1.306 343 L HN 0.553 nan 8.230 nan 0.000 0.430 344 L N 2.529 123.766 121.223 0.023 0.000 2.356 344 L HA 0.514 4.854 4.340 -0.000 0.000 0.277 344 L C -0.336 176.545 176.870 0.019 0.000 0.996 344 L CA -0.347 54.504 54.840 0.019 0.000 0.822 344 L CB 1.143 43.191 42.059 -0.020 0.000 1.256 344 L HN 0.764 nan 8.230 nan 0.000 0.413 345 N N 3.969 122.571 118.700 -0.164 0.000 2.678 345 N HA -0.241 4.499 4.740 -0.000 0.000 0.249 345 N C 0.763 176.004 175.510 -0.449 0.000 1.119 345 N CA 1.352 54.061 53.050 -0.569 0.000 0.718 345 N CB -1.260 36.738 38.487 -0.814 0.000 1.060 345 N HN 1.154 nan 8.380 nan 0.000 0.552 346 G N -2.123 106.641 108.800 -0.059 0.000 2.313 346 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.215 346 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.215 346 G C -0.119 174.825 174.900 0.074 0.000 1.023 346 G CA 0.364 45.510 45.100 0.076 0.000 0.626 346 G HN 0.330 nan 8.290 nan 0.000 0.503 347 K N 1.790 122.242 120.400 0.086 0.000 2.130 347 K HA 0.556 4.876 4.320 -0.000 0.000 0.268 347 K C -2.770 173.837 176.600 0.011 0.000 0.983 347 K CA -2.179 54.125 56.287 0.029 0.000 0.893 347 K CB 1.773 34.242 32.500 -0.052 0.000 1.066 347 K HN 0.135 nan 8.250 nan 0.000 0.450 348 P HA 0.223 nan 4.420 nan 0.000 0.281 348 P C -0.130 177.137 177.300 -0.054 0.000 1.252 348 P CA -0.200 62.879 63.100 -0.034 0.000 0.778 348 P CB 0.575 32.253 31.700 -0.037 0.000 0.895 349 L N 3.277 124.464 121.223 -0.060 0.000 2.399 349 L HA 0.408 4.748 4.340 -0.000 0.000 0.266 349 L C 0.377 177.206 176.870 -0.069 0.000 1.114 349 L CA -0.799 54.002 54.840 -0.065 0.000 0.804 349 L CB 0.744 42.733 42.059 -0.117 0.000 1.146 349 L HN 0.252 nan 8.230 nan 0.000 0.451 350 L N 3.713 124.918 121.223 -0.031 0.000 2.372 350 L HA 0.435 4.775 4.340 -0.000 0.000 0.273 350 L C -0.501 176.377 176.870 0.013 0.000 0.989 350 L CA -0.123 54.698 54.840 -0.033 0.000 0.841 350 L CB 1.040 43.122 42.059 0.039 0.000 1.225 350 L HN 0.276 nan 8.230 nan 0.000 0.414 351 I N 5.047 125.559 120.570 -0.097 0.000 2.379 351 I HA 0.226 4.396 4.170 -0.000 0.000 0.290 351 I C 0.287 176.409 176.117 0.008 0.000 1.063 351 I CA -0.109 61.136 61.300 -0.091 0.000 1.351 351 I CB 0.806 38.636 38.000 -0.282 0.000 1.410 351 I HN 0.612 nan 8.210 nan 0.000 0.505 352 R N 4.746 125.305 120.500 0.099 0.000 2.666 352 R HA 0.537 4.877 4.340 -0.000 0.000 0.275 352 R C 0.257 176.654 176.300 0.161 0.000 1.266 352 R CA -0.241 55.942 56.100 0.138 0.000 1.401 352 R CB 1.093 31.326 30.300 -0.110 0.000 1.145 352 R HN 0.805 nan 8.270 nan 0.000 0.581 353 G N -0.109 108.753 108.800 0.104 0.000 2.680 353 G HA2 0.572 4.532 3.960 -0.000 0.000 0.290 353 G HA3 0.572 4.532 3.960 -0.000 0.000 0.290 353 G C -1.648 173.533 174.900 0.470 0.000 1.355 353 G CA -0.543 44.686 45.100 0.215 0.000 0.903 353 G HN 0.242 nan 8.290 nan 0.000 0.474 354 V N -0.298 119.908 119.914 0.485 0.000 3.001 354 V HA 0.602 4.722 4.120 -0.000 0.000 0.314 354 V C -0.929 175.392 176.094 0.378 0.000 1.099 354 V CA -1.284 61.255 62.300 0.398 0.000 0.989 354 V CB 2.129 33.960 31.823 0.014 0.000 1.040 354 V HN 0.730 nan 8.190 nan 0.000 0.434 355 N N 4.583 123.454 118.700 0.286 0.000 2.444 355 N HA 0.386 5.126 4.740 -0.000 0.000 0.271 355 N C -0.806 174.632 175.510 -0.119 0.000 1.069 355 N CA -0.372 52.760 53.050 0.136 0.000 0.965 355 N CB 1.502 40.203 38.487 0.357 0.000 1.092 355 N HN 0.687 nan 8.380 nan 0.000 0.476 356 R N 2.127 122.541 120.500 -0.143 0.000 2.621 356 R HA 0.328 4.668 4.340 -0.000 0.000 0.292 356 R C -1.177 174.995 176.300 -0.214 0.000 0.969 356 R CA -0.537 55.456 56.100 -0.179 0.000 0.887 356 R CB 0.988 31.126 30.300 -0.269 0.000 1.180 356 R HN 0.538 nan 8.270 nan 0.000 0.450 357 H N 1.022 119.990 119.070 -0.169 0.000 2.508 357 H HA 0.204 4.760 4.556 -0.000 0.000 0.344 357 H C -0.457 174.878 175.328 0.011 0.000 1.192 357 H CA -0.246 55.781 56.048 -0.036 0.000 1.290 357 H CB 1.440 31.250 29.762 0.080 0.000 1.571 357 H HN 0.492 nan 8.280 nan 0.000 0.555 358 E N 1.505 121.868 120.200 0.271 0.000 1.924 358 E HA 0.080 4.429 4.350 -0.000 0.000 0.261 358 E C -0.814 175.900 176.600 0.191 0.000 1.088 358 E CA -0.062 56.428 56.400 0.150 0.000 0.909 358 E CB 0.070 29.855 29.700 0.141 0.000 1.112 358 E HN 0.420 nan 8.360 nan 0.000 0.425 359 H N 1.417 120.551 119.070 0.107 0.000 2.609 359 H HA 0.206 4.762 4.556 -0.000 0.000 0.344 359 H C -1.328 174.051 175.328 0.086 0.000 1.040 359 H CA -0.646 55.457 56.048 0.091 0.000 1.216 359 H CB 0.901 30.702 29.762 0.065 0.000 1.529 359 H HN 0.333 nan 8.280 nan 0.000 0.519 360 H N 7.183 126.080 119.070 -0.288 0.000 2.823 360 H HA 0.177 4.733 4.556 -0.000 0.000 0.332 360 H C -2.199 172.997 175.328 -0.221 0.000 0.980 360 H CA -2.453 53.533 56.048 -0.103 0.000 1.286 360 H CB 2.221 31.954 29.762 -0.049 0.000 1.541 360 H HN 0.556 nan 8.280 nan 0.000 0.521 361 P HA -0.200 nan 4.420 nan 0.000 0.218 361 P C 1.311 178.574 177.300 -0.062 0.000 1.152 361 P CA 1.170 64.195 63.100 -0.124 0.000 0.857 361 P CB 0.731 32.294 31.700 -0.229 0.000 0.787 362 L N -2.199 119.148 121.223 0.207 0.000 2.262 362 L HA 0.049 4.389 4.340 -0.000 0.000 0.197 362 L C 2.593 179.383 176.870 -0.134 0.000 1.073 362 L CA 0.867 55.695 54.840 -0.019 0.000 0.800 362 L CB -0.851 41.083 42.059 -0.209 0.000 0.987 362 L HN -0.018 nan 8.230 nan 0.000 0.470 363 H N -0.532 118.549 119.070 0.018 0.000 2.551 363 H HA 0.192 4.748 4.556 -0.000 0.000 0.266 363 H C 1.417 176.650 175.328 -0.159 0.000 0.977 363 H CA 0.253 56.206 56.048 -0.158 0.000 1.163 363 H CB 0.229 29.798 29.762 -0.323 0.000 1.381 363 H HN 0.441 nan 8.280 nan 0.000 0.581 364 G N 1.112 109.848 108.800 -0.108 0.000 2.552 364 G HA2 -0.410 3.550 3.960 -0.000 0.000 0.267 364 G HA3 -0.410 3.550 3.960 -0.000 0.000 0.267 364 G C 0.768 175.511 174.900 -0.262 0.000 1.174 364 G CA 0.382 45.307 45.100 -0.292 0.000 0.955 364 G HN 0.400 nan 8.290 nan 0.000 0.546 365 Q N 0.030 119.710 119.800 -0.201 0.000 2.389 365 Q HA 0.382 4.722 4.340 -0.000 0.000 0.204 365 Q C 1.336 177.373 176.000 0.062 0.000 0.944 365 Q CA 0.500 56.231 55.803 -0.119 0.000 0.908 365 Q CB 0.244 28.814 28.738 -0.280 0.000 1.002 365 Q HN 0.495 nan 8.270 nan 0.000 0.493 366 V N 1.895 121.848 119.914 0.066 0.000 2.763 366 V HA -0.037 4.082 4.120 -0.000 0.000 0.306 366 V C 0.376 176.499 176.094 0.050 0.000 1.059 366 V CA 0.612 62.964 62.300 0.087 0.000 1.138 366 V CB 0.543 32.372 31.823 0.010 0.000 0.940 366 V HN 0.308 nan 8.190 nan 0.000 0.489 367 M N 3.664 123.275 119.600 0.019 0.000 2.796 367 M HA 0.641 5.120 4.480 -0.000 0.000 0.303 367 M C -1.004 175.223 176.300 -0.123 0.000 1.240 367 M CA -0.675 54.605 55.300 -0.033 0.000 0.831 367 M CB 2.100 34.668 32.600 -0.054 0.000 1.750 367 M HN 0.967 nan 8.290 nan 0.000 0.484 368 D N -2.270 118.065 120.400 -0.107 0.000 2.663 368 D HA 0.186 4.826 4.640 -0.000 0.000 0.233 368 D C 0.063 176.347 176.300 -0.026 0.000 1.240 368 D CA -0.651 53.290 54.000 -0.098 0.000 0.774 368 D CB 1.235 42.008 40.800 -0.045 0.000 1.443 368 D HN 0.672 nan 8.370 nan 0.000 0.441 369 E N 0.041 120.237 120.200 -0.006 0.000 2.095 369 E HA -0.395 3.955 4.350 -0.000 0.000 0.212 369 E C 1.474 178.135 176.600 0.101 0.000 1.044 369 E CA 2.189 58.629 56.400 0.066 0.000 0.857 369 E CB 0.056 29.805 29.700 0.083 0.000 0.764 369 E HN 0.564 nan 8.360 nan 0.000 0.462 370 Q N -0.648 119.207 119.800 0.093 0.000 1.998 370 Q HA -0.220 4.120 4.340 -0.000 0.000 0.209 370 Q C 2.380 178.460 176.000 0.133 0.000 1.002 370 Q CA 2.602 58.473 55.803 0.112 0.000 0.858 370 Q CB -0.519 28.284 28.738 0.109 0.000 0.932 370 Q HN 0.407 nan 8.270 nan 0.000 0.416 371 T N 1.319 115.960 114.554 0.145 0.000 2.635 371 T HA -0.237 4.113 4.350 -0.000 0.000 0.267 371 T C 1.892 176.692 174.700 0.165 0.000 1.040 371 T CA 1.679 63.881 62.100 0.171 0.000 1.156 371 T CB -0.335 68.647 68.868 0.190 0.000 0.863 371 T HN 0.218 nan 8.240 nan 0.000 0.430 372 M N 0.651 120.347 119.600 0.161 0.000 2.255 372 M HA -0.188 4.292 4.480 -0.000 0.000 0.260 372 M C 2.460 178.903 176.300 0.238 0.000 1.069 372 M CA 1.846 57.295 55.300 0.249 0.000 1.089 372 M CB -0.704 32.057 32.600 0.269 0.000 1.269 372 M HN 0.123 nan 8.290 nan 0.000 0.434 373 V N -0.188 119.832 119.914 0.177 0.000 2.324 373 V HA -0.342 3.777 4.120 -0.000 0.000 0.250 373 V C 2.179 178.300 176.094 0.045 0.000 1.060 373 V CA 2.294 64.650 62.300 0.093 0.000 1.042 373 V CB -1.226 30.677 31.823 0.133 0.000 0.650 373 V HN 0.587 nan 8.190 nan 0.000 0.450 374 Q N 0.181 120.046 119.800 0.110 0.000 1.998 374 Q HA -0.308 4.032 4.340 -0.000 0.000 0.209 374 Q C 2.162 178.257 176.000 0.159 0.000 1.002 374 Q CA 2.568 58.447 55.803 0.127 0.000 0.858 374 Q CB -0.279 28.550 28.738 0.152 0.000 0.932 374 Q HN 0.687 nan 8.270 nan 0.000 0.416 375 D N 0.124 120.647 120.400 0.205 0.000 2.116 375 D HA -0.205 4.435 4.640 -0.000 0.000 0.193 375 D C 2.005 178.311 176.300 0.009 0.000 0.998 375 D CA 1.460 55.593 54.000 0.221 0.000 0.836 375 D CB -0.322 40.557 40.800 0.131 0.000 0.951 375 D HN 0.387 nan 8.370 nan 0.000 0.449 376 I N 0.733 121.290 120.570 -0.021 0.000 2.151 376 I HA -0.289 3.881 4.170 -0.000 0.000 0.243 376 I C 2.475 178.495 176.117 -0.161 0.000 1.080 376 I CA 0.874 62.069 61.300 -0.174 0.000 1.339 376 I CB -0.212 37.600 38.000 -0.314 0.000 1.039 376 I HN -0.017 nan 8.210 nan 0.000 0.409 377 L N 0.060 121.219 121.223 -0.107 0.000 2.042 377 L HA -0.238 4.102 4.340 -0.000 0.000 0.210 377 L C 2.472 179.436 176.870 0.158 0.000 1.076 377 L CA 1.368 56.224 54.840 0.026 0.000 0.749 377 L CB -0.688 41.396 42.059 0.043 0.000 0.893 377 L HN 0.228 nan 8.230 nan 0.000 0.432 378 L N -1.041 120.309 121.223 0.212 0.000 2.017 378 L HA -0.228 4.112 4.340 -0.000 0.000 0.208 378 L C 2.753 179.865 176.870 0.403 0.000 1.073 378 L CA 1.345 56.408 54.840 0.371 0.000 0.745 378 L CB -0.627 41.767 42.059 0.559 0.000 0.894 378 L HN 0.329 nan 8.230 nan 0.000 0.432 379 M N -0.208 119.472 119.600 0.132 0.000 2.086 379 M HA -0.182 4.298 4.480 -0.000 0.000 0.261 379 M C 2.270 178.672 176.300 0.169 0.000 1.067 379 M CA 1.729 57.021 55.300 -0.013 0.000 1.116 379 M CB -0.743 31.637 32.600 -0.366 0.000 1.348 379 M HN 0.209 nan 8.290 nan 0.000 0.407 380 K N 0.591 120.991 120.400 0.000 0.000 2.026 380 K HA -0.158 4.162 4.320 -0.000 0.000 0.208 380 K C 2.041 178.663 176.600 0.037 0.000 1.048 380 K CA 1.411 57.599 56.287 -0.165 0.000 0.929 380 K CB -0.346 31.857 32.500 -0.495 0.000 0.713 380 K HN 0.451 nan 8.250 nan 0.000 0.439 381 Q N 0.731 120.700 119.800 0.281 0.000 2.135 381 Q HA -0.080 4.260 4.340 -0.000 0.000 0.204 381 Q C 1.225 177.498 176.000 0.455 0.000 0.981 381 Q CA 1.036 57.114 55.803 0.459 0.000 0.856 381 Q CB 0.009 29.029 28.738 0.470 0.000 0.902 381 Q HN 0.222 nan 8.270 nan 0.000 0.425 382 N N 0.876 119.831 118.700 0.425 0.000 2.413 382 N HA -0.019 4.721 4.740 -0.000 0.000 0.207 382 N C -0.504 175.168 175.510 0.270 0.000 1.206 382 N CA 0.217 53.531 53.050 0.440 0.000 0.832 382 N CB 0.234 39.057 38.487 0.559 0.000 1.037 382 N HN 0.200 nan 8.380 nan 0.000 0.467 383 N N -0.531 118.289 118.700 0.199 0.000 2.782 383 N HA -0.203 4.537 4.740 -0.000 0.000 0.251 383 N C -1.002 174.417 175.510 -0.152 0.000 1.101 383 N CA 0.648 53.705 53.050 0.011 0.000 0.764 383 N CB -1.758 36.618 38.487 -0.184 0.000 1.122 383 N HN 0.226 nan 8.380 nan 0.000 0.561 384 F N 0.273 120.233 119.950 0.016 0.000 2.396 384 F HA 0.338 4.865 4.527 -0.000 0.000 0.343 384 F C 1.798 177.578 175.800 -0.034 0.000 1.104 384 F CA -0.552 57.447 58.000 -0.001 0.000 1.161 384 F CB 0.874 39.873 39.000 -0.002 0.000 1.146 384 F HN -0.168 nan 8.300 nan 0.000 0.522 385 N N 1.247 120.050 118.700 0.171 0.000 2.428 385 N HA 0.275 5.015 4.740 -0.000 0.000 0.181 385 N C -0.411 175.121 175.510 0.036 0.000 1.028 385 N CA 0.573 53.669 53.050 0.076 0.000 0.877 385 N CB 0.361 38.965 38.487 0.196 0.000 1.064 385 N HN 0.606 nan 8.380 nan 0.000 0.434 386 A N -0.284 122.646 122.820 0.183 0.000 2.454 386 A HA 0.660 4.980 4.320 -0.000 0.000 0.302 386 A C -1.374 176.443 177.584 0.388 0.000 1.079 386 A CA -0.578 51.638 52.037 0.298 0.000 0.731 386 A CB 1.780 21.035 19.000 0.424 0.000 1.299 386 A HN -0.043 nan 8.150 nan 0.000 0.413 387 V N 1.542 121.698 119.914 0.404 0.000 2.588 387 V HA 0.759 4.879 4.120 -0.000 0.000 0.304 387 V C -0.300 175.958 176.094 0.273 0.000 1.042 387 V CA -0.746 61.766 62.300 0.353 0.000 0.877 387 V CB 1.522 33.509 31.823 0.273 0.000 0.996 387 V HN 1.044 nan 8.190 nan 0.000 0.425 388 R N 5.248 125.794 120.500 0.078 0.000 2.312 388 R HA 0.441 4.781 4.340 -0.000 0.000 0.311 388 R C -0.349 175.896 176.300 -0.093 0.000 1.004 388 R CA -0.442 55.521 56.100 -0.227 0.000 0.902 388 R CB 0.958 30.862 30.300 -0.660 0.000 1.073 388 R HN 0.854 nan 8.270 nan 0.000 0.457 389 C N 4.276 123.531 119.300 -0.076 0.000 3.506 389 C HA 0.086 4.546 4.460 -0.000 0.000 0.578 389 C C 0.576 175.393 174.990 -0.289 0.000 1.153 389 C CA -0.462 58.470 59.018 -0.143 0.000 1.248 389 C CB -2.358 25.371 27.740 -0.018 0.000 1.532 389 C HN 0.755 nan 8.230 nan 0.000 0.646 390 S N 0.809 116.343 115.700 -0.278 0.000 2.509 390 S HA 0.059 4.529 4.470 -0.000 0.000 0.287 390 S C -0.087 173.807 174.600 -1.177 0.000 1.248 390 S CA 0.443 58.446 58.200 -0.329 0.000 1.089 390 S CB 0.039 63.103 63.200 -0.226 0.000 0.900 390 S HN 0.691 nan 8.310 nan 0.000 0.496 391 H N 3.446 121.839 119.070 -1.128 0.000 2.716 391 H HA 0.349 4.905 4.556 -0.000 0.000 0.230 391 H C -0.936 174.195 175.328 -0.328 0.000 1.401 391 H CA -0.579 55.196 56.048 -0.454 0.000 1.168 391 H CB -0.343 29.362 29.762 -0.095 0.000 1.935 391 H HN 0.861 nan 8.280 nan 0.000 0.538 392 Y N -3.031 117.355 120.300 0.143 0.000 2.814 392 Y HA 0.515 5.065 4.550 -0.000 0.000 0.348 392 Y C -3.318 172.670 175.900 0.148 0.000 1.245 392 Y CA -3.301 54.886 58.100 0.145 0.000 1.086 392 Y CB 0.047 38.590 38.460 0.139 0.000 1.373 392 Y HN -0.159 nan 8.280 nan 0.000 0.451 393 P HA 0.239 nan 4.420 nan 0.000 0.275 393 P C -0.810 176.775 177.300 0.475 0.000 1.227 393 P CA 0.125 63.474 63.100 0.415 0.000 0.781 393 P CB 0.772 32.649 31.700 0.295 0.000 0.906 394 N N 0.216 119.198 118.700 0.469 0.000 2.538 394 N HA 0.124 4.864 4.740 -0.000 0.000 0.292 394 N C 0.092 175.835 175.510 0.389 0.000 1.262 394 N CA -0.667 52.581 53.050 0.331 0.000 0.976 394 N CB 0.407 38.894 38.487 -0.000 0.000 1.161 394 N HN 0.587 nan 8.380 nan 0.000 0.598 395 H N 1.530 120.714 119.070 0.190 0.000 2.928 395 H HA 0.033 4.589 4.556 -0.000 0.000 0.338 395 H C -1.766 173.750 175.328 0.312 0.000 1.047 395 H CA -0.897 55.260 56.048 0.182 0.000 1.435 395 H CB 1.148 30.978 29.762 0.115 0.000 1.428 395 H HN 0.373 nan 8.280 nan 0.000 0.590 396 P HA -0.190 nan 4.420 nan 0.000 0.218 396 P C 1.733 179.273 177.300 0.399 0.000 1.146 396 P CA 0.462 63.690 63.100 0.213 0.000 0.813 396 P CB 0.268 31.953 31.700 -0.024 0.000 0.778 397 L N -1.290 120.310 121.223 0.628 0.000 2.141 397 L HA -0.071 4.269 4.340 -0.000 0.000 0.209 397 L C 2.201 179.297 176.870 0.376 0.000 1.094 397 L CA 1.386 56.528 54.840 0.504 0.000 0.763 397 L CB -1.763 40.590 42.059 0.491 0.000 0.908 397 L HN 0.116 nan 8.230 nan 0.000 0.437 398 W N -0.216 121.172 121.300 0.147 0.000 2.290 398 W HA -0.407 4.253 4.660 -0.000 0.000 0.328 398 W C 2.335 178.745 176.519 -0.180 0.000 1.272 398 W CA 2.265 59.548 57.345 -0.103 0.000 1.262 398 W CB -0.484 28.779 29.460 -0.329 0.000 1.151 398 W HN 0.247 nan 8.180 nan 0.000 0.473 399 Y N 0.546 120.762 120.300 -0.139 0.000 2.181 399 Y HA -0.225 4.325 4.550 -0.000 0.000 0.288 399 Y C 2.863 178.546 175.900 -0.362 0.000 1.146 399 Y CA 2.022 59.840 58.100 -0.469 0.000 1.164 399 Y CB -1.543 36.388 38.460 -0.883 0.000 0.982 399 Y HN -0.167 nan 8.280 nan 0.000 0.515 400 T N 1.064 115.622 114.554 0.007 0.000 2.607 400 T HA -0.218 4.132 4.350 -0.000 0.000 0.267 400 T C 2.062 176.790 174.700 0.047 0.000 1.049 400 T CA 1.835 64.011 62.100 0.126 0.000 1.162 400 T CB -0.727 68.258 68.868 0.196 0.000 0.863 400 T HN 0.222 nan 8.240 nan 0.000 0.424 401 L N 0.656 121.888 121.223 0.014 0.000 1.997 401 L HA -0.211 4.129 4.340 -0.000 0.000 0.216 401 L C 2.976 179.818 176.870 -0.047 0.000 1.074 401 L CA 1.466 56.315 54.840 0.015 0.000 0.763 401 L CB -0.988 41.116 42.059 0.074 0.000 0.890 401 L HN 0.447 nan 8.230 nan 0.000 0.434 402 C N -0.310 118.831 119.300 -0.265 0.000 2.422 402 C HA -0.130 4.330 4.460 -0.000 0.000 0.279 402 C C 2.323 177.355 174.990 0.070 0.000 1.305 402 C CA 0.177 59.072 59.018 -0.205 0.000 1.757 402 C CB -1.059 26.444 27.740 -0.395 0.000 1.962 402 C HN 0.564 nan 8.230 nan 0.000 0.499 403 D N 1.137 121.591 120.400 0.090 0.000 2.117 403 D HA -0.106 4.534 4.640 -0.000 0.000 0.197 403 D C 2.246 178.735 176.300 0.316 0.000 0.987 403 D CA 1.246 55.389 54.000 0.239 0.000 0.829 403 D CB -0.400 40.488 40.800 0.147 0.000 0.961 403 D HN 0.501 nan 8.370 nan 0.000 0.460 404 R N -0.632 119.932 120.500 0.106 0.000 2.119 404 R HA 0.008 4.348 4.340 -0.000 0.000 0.222 404 R C 2.027 178.242 176.300 -0.142 0.000 1.088 404 R CA 0.629 56.707 56.100 -0.036 0.000 0.984 404 R CB -0.361 29.837 30.300 -0.171 0.000 0.884 404 R HN 0.246 nan 8.270 nan 0.000 0.447 405 Y N -0.843 119.465 120.300 0.012 0.000 2.397 405 Y HA 0.273 4.823 4.550 -0.000 0.000 0.292 405 Y C 1.117 176.930 175.900 -0.146 0.000 1.115 405 Y CA 0.898 58.971 58.100 -0.045 0.000 1.208 405 Y CB 0.547 38.964 38.460 -0.072 0.000 1.046 405 Y HN 0.200 nan 8.280 nan 0.000 0.552 406 G N 0.613 109.397 108.800 -0.028 0.000 2.932 406 G HA2 -0.093 3.867 3.960 -0.000 0.000 0.180 406 G HA3 -0.093 3.867 3.960 -0.000 0.000 0.180 406 G C -1.055 173.631 174.900 -0.358 0.000 1.072 406 G CA -0.648 44.282 45.100 -0.282 0.000 0.997 406 G HN 0.120 nan 8.290 nan 0.000 0.541 407 L N 1.097 122.197 121.223 -0.205 0.000 2.441 407 L HA 0.396 4.736 4.340 -0.000 0.000 0.270 407 L C -0.144 176.667 176.870 -0.099 0.000 0.973 407 L CA -1.344 53.333 54.840 -0.272 0.000 0.842 407 L CB 1.384 43.316 42.059 -0.212 0.000 1.239 407 L HN 0.250 nan 8.230 nan 0.000 0.406 408 Y N 2.854 123.261 120.300 0.179 0.000 2.721 408 Y HA 0.069 4.618 4.550 -0.000 0.000 0.329 408 Y C 0.571 176.580 175.900 0.181 0.000 1.211 408 Y CA -0.099 58.136 58.100 0.226 0.000 1.512 408 Y CB 0.011 38.593 38.460 0.203 0.000 1.249 408 Y HN 0.161 nan 8.280 nan 0.000 0.549 409 V N 3.956 124.045 119.914 0.292 0.000 2.834 409 V HA 0.511 4.631 4.120 -0.000 0.000 0.313 409 V C -0.329 175.847 176.094 0.138 0.000 1.060 409 V CA -1.046 61.362 62.300 0.179 0.000 0.989 409 V CB 2.159 34.039 31.823 0.095 0.000 1.041 409 V HN 0.422 nan 8.190 nan 0.000 0.459 410 V N 2.240 122.206 119.914 0.087 0.000 2.340 410 V HA 0.284 4.403 4.120 -0.000 0.000 0.277 410 V C -0.457 175.660 176.094 0.039 0.000 1.017 410 V CA -0.542 61.756 62.300 -0.003 0.000 0.820 410 V CB 1.295 33.032 31.823 -0.144 0.000 1.028 410 V HN 0.897 nan 8.190 nan 0.000 0.436 411 D N 3.785 124.224 120.400 0.065 0.000 2.390 411 D HA 0.203 4.843 4.640 -0.000 0.000 0.249 411 D C -0.136 176.317 176.300 0.255 0.000 1.144 411 D CA 0.475 54.608 54.000 0.222 0.000 0.880 411 D CB 1.162 42.115 40.800 0.255 0.000 1.182 411 D HN 0.620 nan 8.370 nan 0.000 0.451 412 E N 1.150 121.490 120.200 0.233 0.000 2.256 412 E HA 0.569 4.919 4.350 -0.000 0.000 0.268 412 E C -1.104 175.617 176.600 0.202 0.000 0.877 412 E CA -1.022 55.490 56.400 0.187 0.000 0.757 412 E CB 1.605 31.357 29.700 0.085 0.000 1.183 412 E HN 0.484 nan 8.360 nan 0.000 0.418 413 A N 3.410 126.344 122.820 0.189 0.000 2.425 413 A HA 0.113 4.433 4.320 -0.000 0.000 0.249 413 A C 0.392 178.083 177.584 0.179 0.000 1.084 413 A CA -0.315 51.820 52.037 0.163 0.000 0.781 413 A CB 0.242 19.305 19.000 0.105 0.000 1.019 413 A HN 0.632 nan 8.150 nan 0.000 0.490 414 N N 1.291 120.107 118.700 0.195 0.000 2.950 414 N HA 0.154 4.894 4.740 -0.000 0.000 0.313 414 N C -0.898 174.727 175.510 0.192 0.000 1.213 414 N CA 0.363 53.555 53.050 0.236 0.000 1.184 414 N CB -0.977 37.646 38.487 0.227 0.000 1.454 414 N HN 0.505 nan 8.380 nan 0.000 0.532 415 I N 0.090 120.768 120.570 0.179 0.000 2.548 415 I HA 0.347 4.517 4.170 -0.000 0.000 0.287 415 I C -0.491 175.718 176.117 0.154 0.000 1.103 415 I CA -0.815 60.578 61.300 0.156 0.000 1.049 415 I CB 2.118 40.187 38.000 0.115 0.000 1.232 415 I HN 0.084 nan 8.210 nan 0.000 0.429 416 E N 3.768 124.060 120.200 0.154 0.000 2.343 416 E HA 0.280 4.630 4.350 -0.000 0.000 0.288 416 E C -0.582 176.096 176.600 0.129 0.000 0.907 416 E CA -0.497 55.974 56.400 0.118 0.000 0.792 416 E CB 1.653 31.428 29.700 0.124 0.000 1.275 416 E HN 0.704 nan 8.360 nan 0.000 0.402 417 T N 0.786 115.395 114.554 0.091 0.000 3.248 417 T HA 0.161 4.511 4.350 -0.000 0.000 0.271 417 T C 1.091 175.820 174.700 0.049 0.000 1.005 417 T CA 0.045 62.221 62.100 0.125 0.000 0.902 417 T CB -0.360 68.554 68.868 0.077 0.000 1.102 417 T HN 0.681 nan 8.240 nan 0.000 0.548 418 H N 1.733 120.727 119.070 -0.127 0.000 2.277 418 H HA -0.236 4.320 4.556 -0.000 0.000 0.281 418 H C 2.239 177.387 175.328 -0.301 0.000 1.125 418 H CA 1.649 57.561 56.048 -0.227 0.000 1.165 418 H CB -0.464 29.142 29.762 -0.259 0.000 1.364 418 H HN 0.573 nan 8.280 nan 0.000 0.489 419 G N 0.460 109.006 108.800 -0.422 0.000 2.916 419 G HA2 -0.025 3.934 3.960 -0.000 0.000 0.205 419 G HA3 -0.025 3.934 3.960 -0.000 0.000 0.205 419 G C 0.349 175.227 174.900 -0.036 0.000 1.163 419 G CA 0.010 44.863 45.100 -0.412 0.000 0.821 419 G HN 0.166 nan 8.290 nan 0.000 0.515 420 M N -0.211 119.431 119.600 0.071 0.000 2.159 420 M HA 0.418 4.898 4.480 -0.000 0.000 0.293 420 M C -0.430 175.884 176.300 0.023 0.000 1.186 420 M CA -0.382 54.984 55.300 0.110 0.000 1.073 420 M CB 1.422 34.057 32.600 0.060 0.000 1.419 420 M HN -0.200 nan 8.290 nan 0.000 0.490 421 V N 1.947 121.863 119.914 0.004 0.000 2.532 421 V HA 0.305 4.425 4.120 -0.000 0.000 0.294 421 V C -2.150 173.929 176.094 -0.025 0.000 1.036 421 V CA -1.274 61.016 62.300 -0.016 0.000 0.876 421 V CB 1.782 33.595 31.823 -0.017 0.000 1.012 421 V HN 0.685 nan 8.190 nan 0.000 0.432 422 P HA 0.239 nan 4.420 nan 0.000 0.288 422 P C 1.028 178.317 177.300 -0.019 0.000 1.291 422 P CA -0.389 62.697 63.100 -0.023 0.000 0.766 422 P CB 0.767 32.457 31.700 -0.017 0.000 1.242 423 M N 0.269 119.860 119.600 -0.013 0.000 2.394 423 M HA -0.108 4.372 4.480 -0.000 0.000 0.264 423 M C 1.386 177.690 176.300 0.006 0.000 1.073 423 M CA 1.319 56.617 55.300 -0.004 0.000 1.111 423 M CB -0.428 32.160 32.600 -0.021 0.000 1.401 423 M HN 0.315 nan 8.290 nan 0.000 0.448 424 N N 0.705 119.411 118.700 0.010 0.000 2.461 424 N HA -0.150 4.590 4.740 -0.000 0.000 0.188 424 N C 1.315 176.793 175.510 -0.053 0.000 1.134 424 N CA 0.553 53.610 53.050 0.012 0.000 0.878 424 N CB -0.574 37.938 38.487 0.041 0.000 0.972 424 N HN 0.353 nan 8.380 nan 0.000 0.456 425 R N 0.581 121.038 120.500 -0.071 0.000 2.196 425 R HA -0.174 4.166 4.340 -0.000 0.000 0.244 425 R C 1.830 178.010 176.300 -0.199 0.000 1.121 425 R CA 2.391 58.422 56.100 -0.116 0.000 0.930 425 R CB -0.361 29.877 30.300 -0.105 0.000 0.890 425 R HN 0.329 nan 8.270 nan 0.000 0.435 426 L N -0.618 120.408 121.223 -0.328 0.000 2.127 426 L HA -0.031 4.309 4.340 -0.000 0.000 0.203 426 L C 2.631 179.318 176.870 -0.304 0.000 1.080 426 L CA 1.394 55.894 54.840 -0.567 0.000 0.768 426 L CB -0.762 40.678 42.059 -1.032 0.000 0.924 426 L HN 0.470 nan 8.230 nan 0.000 0.444 427 T N -3.859 110.554 114.554 -0.235 0.000 2.946 427 T HA -0.215 4.135 4.350 -0.000 0.000 0.271 427 T C 1.148 175.711 174.700 -0.229 0.000 1.104 427 T CA 1.536 63.475 62.100 -0.269 0.000 1.114 427 T CB -0.311 68.376 68.868 -0.301 0.000 0.867 427 T HN 0.178 nan 8.240 nan 0.000 0.513 428 D N 0.728 121.044 120.400 -0.139 0.000 2.462 428 D HA 0.169 4.809 4.640 -0.000 0.000 0.221 428 D C -0.626 175.637 176.300 -0.062 0.000 1.173 428 D CA -0.393 53.542 54.000 -0.108 0.000 0.831 428 D CB 0.092 40.845 40.800 -0.079 0.000 1.001 428 D HN 0.275 nan 8.370 nan 0.000 0.499 429 D N -0.427 119.954 120.400 -0.031 0.000 2.308 429 D HA 0.204 4.844 4.640 -0.000 0.000 0.242 429 D C -1.726 174.623 176.300 0.081 0.000 1.059 429 D CA -2.328 51.702 54.000 0.051 0.000 0.830 429 D CB 2.287 43.170 40.800 0.139 0.000 1.161 429 D HN -0.123 nan 8.370 nan 0.000 0.494 430 P HA -0.107 nan 4.420 nan 0.000 0.215 430 P C 0.877 178.172 177.300 -0.008 0.000 1.153 430 P CA 1.108 64.210 63.100 0.002 0.000 0.853 430 P CB 0.262 31.952 31.700 -0.017 0.000 0.788 431 R N -2.176 118.322 120.500 -0.002 0.000 2.303 431 R HA -0.125 4.215 4.340 -0.000 0.000 0.225 431 R C 1.548 177.640 176.300 -0.346 0.000 1.114 431 R CA 1.166 57.175 56.100 -0.152 0.000 1.007 431 R CB -0.804 29.384 30.300 -0.187 0.000 0.861 431 R HN 0.368 nan 8.270 nan 0.000 0.471 432 W N -1.320 119.918 121.300 -0.103 0.000 2.993 432 W HA 0.214 4.874 4.660 -0.000 0.000 0.290 432 W C 1.432 177.884 176.519 -0.112 0.000 1.203 432 W CA -0.635 56.648 57.345 -0.104 0.000 1.582 432 W CB -0.248 29.147 29.460 -0.109 0.000 1.033 432 W HN -0.029 nan 8.180 nan 0.000 0.594 433 L N 2.650 123.894 121.223 0.036 0.000 2.034 433 L HA -0.173 4.167 4.340 -0.000 0.000 0.217 433 L C -0.745 176.082 176.870 -0.072 0.000 1.077 433 L CA 2.475 57.292 54.840 -0.038 0.000 0.769 433 L CB -1.976 40.050 42.059 -0.054 0.000 0.890 433 L HN -0.195 nan 8.230 nan 0.000 0.435 434 P HA -0.183 nan 4.420 nan 0.000 0.212 434 P C 1.710 178.950 177.300 -0.101 0.000 1.178 434 P CA 2.470 65.502 63.100 -0.113 0.000 0.915 434 P CB -0.377 31.245 31.700 -0.130 0.000 0.788 435 A N -0.556 122.213 122.820 -0.084 0.000 1.903 435 A HA -0.271 4.049 4.320 -0.000 0.000 0.219 435 A C 2.233 179.821 177.584 0.006 0.000 1.191 435 A CA 2.899 54.922 52.037 -0.024 0.000 0.638 435 A CB -1.639 17.378 19.000 0.028 0.000 0.823 435 A HN 0.155 nan 8.150 nan 0.000 0.451 436 M N -0.740 118.869 119.600 0.016 0.000 2.099 436 M HA -0.117 4.363 4.480 -0.000 0.000 0.262 436 M C 2.461 178.702 176.300 -0.098 0.000 1.067 436 M CA 1.702 56.990 55.300 -0.020 0.000 1.124 436 M CB -0.709 31.860 32.600 -0.052 0.000 1.353 436 M HN 0.514 nan 8.290 nan 0.000 0.410 437 S N 0.675 116.288 115.700 -0.145 0.000 2.400 437 S HA -0.245 4.225 4.470 -0.000 0.000 0.234 437 S C 1.789 176.213 174.600 -0.294 0.000 1.049 437 S CA 1.973 60.024 58.200 -0.249 0.000 1.039 437 S CB -0.364 62.692 63.200 -0.240 0.000 0.856 437 S HN 0.530 nan 8.310 nan 0.000 0.465 438 E N 0.010 120.091 120.200 -0.198 0.000 2.107 438 E HA -0.045 4.305 4.350 -0.000 0.000 0.191 438 E C 2.479 178.983 176.600 -0.160 0.000 0.982 438 E CA 0.715 57.004 56.400 -0.184 0.000 0.809 438 E CB -0.098 29.530 29.700 -0.120 0.000 0.756 438 E HN 0.545 nan 8.360 nan 0.000 0.459 439 R N 0.224 120.660 120.500 -0.106 0.000 2.120 439 R HA -0.092 4.248 4.340 -0.000 0.000 0.234 439 R C 2.329 178.575 176.300 -0.090 0.000 1.123 439 R CA 0.811 56.877 56.100 -0.057 0.000 0.975 439 R CB -0.090 30.216 30.300 0.009 0.000 0.866 439 R HN 0.011 nan 8.270 nan 0.000 0.446 440 V N 0.337 120.153 119.914 -0.163 0.000 2.346 440 V HA -0.197 3.923 4.120 -0.000 0.000 0.244 440 V C 2.338 178.240 176.094 -0.321 0.000 1.037 440 V CA 2.167 64.346 62.300 -0.203 0.000 1.029 440 V CB -0.448 31.248 31.823 -0.212 0.000 0.663 440 V HN 0.537 nan 8.190 nan 0.000 0.454 441 T N -0.488 113.766 114.554 -0.501 0.000 2.674 441 T HA -0.251 4.099 4.350 -0.000 0.000 0.265 441 T C 1.966 176.499 174.700 -0.277 0.000 1.039 441 T CA 1.374 63.111 62.100 -0.605 0.000 1.150 441 T CB -0.483 67.915 68.868 -0.785 0.000 0.864 441 T HN 0.373 nan 8.240 nan 0.000 0.427 442 R N 0.558 120.924 120.500 -0.223 0.000 2.139 442 R HA -0.018 4.322 4.340 -0.000 0.000 0.243 442 R C 2.647 178.866 176.300 -0.135 0.000 1.145 442 R CA 1.649 57.655 56.100 -0.158 0.000 0.976 442 R CB -0.598 29.619 30.300 -0.138 0.000 0.866 442 R HN 0.503 nan 8.270 nan 0.000 0.449 443 M N 0.801 120.330 119.600 -0.119 0.000 2.066 443 M HA -0.179 4.301 4.480 -0.000 0.000 0.259 443 M C 2.069 178.313 176.300 -0.094 0.000 1.074 443 M CA 1.869 57.135 55.300 -0.056 0.000 1.114 443 M CB -0.074 32.534 32.600 0.013 0.000 1.306 443 M HN -0.024 nan 8.290 nan 0.000 0.411 444 V N 0.918 120.667 119.914 -0.274 0.000 2.324 444 V HA -0.323 3.797 4.120 -0.000 0.000 0.250 444 V C 2.312 178.303 176.094 -0.173 0.000 1.060 444 V CA 2.195 64.244 62.300 -0.420 0.000 1.042 444 V CB -1.265 30.228 31.823 -0.550 0.000 0.650 444 V HN 0.605 nan 8.190 nan 0.000 0.450 445 Q N -0.553 119.164 119.800 -0.138 0.000 2.135 445 Q HA -0.258 4.082 4.340 -0.000 0.000 0.204 445 Q C 2.547 178.443 176.000 -0.173 0.000 0.981 445 Q CA 1.996 57.721 55.803 -0.131 0.000 0.856 445 Q CB -0.193 28.488 28.738 -0.094 0.000 0.902 445 Q HN 0.587 nan 8.270 nan 0.000 0.425 446 R N 0.028 120.426 120.500 -0.170 0.000 2.080 446 R HA -0.090 4.249 4.340 -0.000 0.000 0.222 446 R C 1.002 177.213 176.300 -0.149 0.000 1.107 446 R CA 1.329 57.309 56.100 -0.199 0.000 0.980 446 R CB 0.321 30.508 30.300 -0.189 0.000 0.879 446 R HN 0.173 nan 8.270 nan 0.000 0.439 447 D N 0.247 120.619 120.400 -0.046 0.000 2.355 447 D HA -0.046 4.593 4.640 -0.000 0.000 0.206 447 D C 1.629 177.985 176.300 0.095 0.000 1.010 447 D CA 0.421 54.435 54.000 0.024 0.000 0.875 447 D CB 0.115 40.902 40.800 -0.023 0.000 0.966 447 D HN 0.298 nan 8.370 nan 0.000 0.512 448 R N 1.047 121.637 120.500 0.150 0.000 2.350 448 R HA -0.113 4.227 4.340 -0.000 0.000 0.246 448 R C 1.020 177.282 176.300 -0.064 0.000 1.182 448 R CA 1.193 57.374 56.100 0.134 0.000 1.030 448 R CB -0.493 29.827 30.300 0.034 0.000 0.861 448 R HN -0.024 nan 8.270 nan 0.000 0.483 449 N N -0.072 118.517 118.700 -0.186 0.000 2.280 449 N HA -0.004 4.736 4.740 -0.000 0.000 0.192 449 N C -0.603 174.723 175.510 -0.306 0.000 1.109 449 N CA 0.158 53.051 53.050 -0.261 0.000 0.855 449 N CB 0.200 38.485 38.487 -0.337 0.000 0.974 449 N HN 0.322 nan 8.380 nan 0.000 0.482 450 H N 1.249 120.229 119.070 -0.150 0.000 2.846 450 H HA 0.131 4.687 4.556 -0.000 0.000 0.278 450 H C -1.279 173.886 175.328 -0.272 0.000 1.117 450 H CA -1.486 54.461 56.048 -0.169 0.000 1.406 450 H CB 1.341 31.038 29.762 -0.109 0.000 1.445 450 H HN 0.027 nan 8.280 nan 0.000 0.469 451 P HA -0.218 nan 4.420 nan 0.000 0.218 451 P C 1.578 178.357 177.300 -0.869 0.000 1.146 451 P CA 1.540 64.264 63.100 -0.628 0.000 0.820 451 P CB 0.299 31.418 31.700 -0.969 0.000 0.778 452 S N -1.664 113.698 115.700 -0.563 0.000 2.414 452 S HA -0.007 4.463 4.470 -0.000 0.000 0.227 452 S C 0.936 175.519 174.600 -0.029 0.000 1.022 452 S CA 0.109 58.166 58.200 -0.238 0.000 0.958 452 S CB -1.241 61.975 63.200 0.027 0.000 0.797 452 S HN -0.083 nan 8.310 nan 0.000 0.493 453 V N 3.659 123.524 119.914 -0.081 0.000 2.450 453 V HA 0.198 4.318 4.120 -0.000 0.000 0.281 453 V C 0.991 176.957 176.094 -0.214 0.000 1.019 453 V CA 0.213 62.430 62.300 -0.138 0.000 1.062 453 V CB 0.135 31.810 31.823 -0.247 0.000 0.979 453 V HN 0.663 nan 8.190 nan 0.000 0.477 454 I N 2.819 123.298 120.570 -0.151 0.000 4.403 454 I HA 0.489 4.659 4.170 -0.000 0.000 0.331 454 I C 0.299 176.294 176.117 -0.202 0.000 1.327 454 I CA 0.483 61.701 61.300 -0.137 0.000 1.175 454 I CB 0.431 38.421 38.000 -0.017 0.000 1.165 454 I HN 0.302 nan 8.210 nan 0.000 0.413 455 I N -0.012 120.399 120.570 -0.266 0.000 2.656 455 I HA 0.370 4.540 4.170 -0.000 0.000 0.292 455 I C -1.684 174.290 176.117 -0.238 0.000 1.144 455 I CA -0.481 60.698 61.300 -0.201 0.000 1.038 455 I CB 1.575 39.554 38.000 -0.035 0.000 1.244 455 I HN 0.023 nan 8.210 nan 0.000 0.420 456 W N 3.230 124.571 121.300 0.068 0.000 2.496 456 W HA 0.620 5.280 4.660 -0.000 0.000 0.327 456 W C 0.435 177.005 176.519 0.085 0.000 1.086 456 W CA -0.743 56.648 57.345 0.077 0.000 1.222 456 W CB 1.733 31.239 29.460 0.077 0.000 1.304 456 W HN 0.421 nan 8.180 nan 0.000 0.547 457 S N 2.592 118.501 115.700 0.347 0.000 2.521 457 S HA 0.408 4.878 4.470 -0.000 0.000 0.295 457 S C 0.123 174.874 174.600 0.252 0.000 1.098 457 S CA -0.706 57.637 58.200 0.239 0.000 0.999 457 S CB 0.831 64.103 63.200 0.119 0.000 1.034 457 S HN 0.584 nan 8.310 nan 0.000 0.483 458 L N 4.128 125.510 121.223 0.265 0.000 2.610 458 L HA 0.358 4.698 4.340 -0.000 0.000 0.232 458 L C 1.447 178.426 176.870 0.181 0.000 1.149 458 L CA 0.522 55.468 54.840 0.177 0.000 0.872 458 L CB -1.157 40.924 42.059 0.036 0.000 0.992 458 L HN 1.007 nan 8.230 nan 0.000 0.447 459 G N -0.344 108.603 108.800 0.244 0.000 2.255 459 G HA2 -0.136 3.824 3.960 -0.000 0.000 0.216 459 G HA3 -0.136 3.824 3.960 -0.000 0.000 0.216 459 G C -1.593 173.368 174.900 0.101 0.000 1.307 459 G CA -0.656 44.554 45.100 0.183 0.000 1.162 459 G HN 0.115 nan 8.290 nan 0.000 0.494 460 N N 0.925 119.641 118.700 0.027 0.000 2.329 460 N HA 0.481 5.220 4.740 -0.000 0.000 0.282 460 N C -0.544 174.878 175.510 -0.146 0.000 1.198 460 N CA -0.032 52.879 53.050 -0.231 0.000 0.790 460 N CB 1.681 39.743 38.487 -0.708 0.000 1.579 460 N HN 0.802 nan 8.380 nan 0.000 0.475 461 E N 0.456 120.460 120.200 -0.327 0.000 0.936 461 E HA -0.184 4.166 4.350 -0.000 0.000 0.278 461 E C -0.755 175.737 176.600 -0.181 0.000 0.848 461 E CA 0.634 56.801 56.400 -0.387 0.000 0.960 461 E CB -0.993 28.208 29.700 -0.831 0.000 0.813 461 E HN 0.337 nan 8.360 nan 0.000 0.302 462 S N 1.117 116.839 115.700 0.037 0.000 3.041 462 S HA 0.366 4.835 4.470 -0.000 0.000 0.250 462 S C 0.630 175.372 174.600 0.238 0.000 0.898 462 S CA -0.188 58.104 58.200 0.153 0.000 1.100 462 S CB 1.261 64.618 63.200 0.262 0.000 1.149 462 S HN 0.952 nan 8.310 nan 0.000 0.540 463 G N 1.974 110.852 108.800 0.131 0.000 2.574 463 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.282 463 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.282 463 G C -0.456 174.634 174.900 0.317 0.000 1.257 463 G CA 0.221 45.414 45.100 0.155 0.000 0.956 463 G HN 0.660 nan 8.290 nan 0.000 0.560 464 H N 0.469 119.642 119.070 0.172 0.000 3.172 464 H HA 0.540 5.096 4.556 -0.000 0.000 0.322 464 H C 0.300 175.785 175.328 0.262 0.000 1.003 464 H CA 0.040 56.216 56.048 0.214 0.000 1.466 464 H CB 0.507 30.334 29.762 0.109 0.000 1.673 464 H HN 1.054 nan 8.280 nan 0.000 0.512 465 G N 1.281 110.110 108.800 0.049 0.000 2.644 465 G HA2 0.469 4.429 3.960 -0.000 0.000 0.307 465 G HA3 0.469 4.429 3.960 -0.000 0.000 0.307 465 G C 0.637 175.343 174.900 -0.324 0.000 1.250 465 G CA -0.119 44.845 45.100 -0.227 0.000 0.996 465 G HN 0.622 nan 8.290 nan 0.000 0.489 466 A N 0.106 122.798 122.820 -0.214 0.000 1.972 466 A HA -0.082 4.238 4.320 -0.000 0.000 0.219 466 A C 2.155 179.671 177.584 -0.114 0.000 1.169 466 A CA 1.942 53.897 52.037 -0.136 0.000 0.635 466 A CB -0.549 18.406 19.000 -0.075 0.000 0.810 466 A HN 0.553 nan 8.150 nan 0.000 0.446 467 N N 0.043 118.639 118.700 -0.174 0.000 2.137 467 N HA -0.195 4.545 4.740 -0.000 0.000 0.190 467 N C 1.344 176.751 175.510 -0.172 0.000 1.017 467 N CA 1.966 54.905 53.050 -0.184 0.000 0.859 467 N CB -0.761 37.576 38.487 -0.249 0.000 1.002 467 N HN 0.802 nan 8.380 nan 0.000 0.428 468 H N 0.094 119.087 119.070 -0.129 0.000 2.326 468 H HA -0.025 4.531 4.556 -0.000 0.000 0.301 468 H C 1.340 176.683 175.328 0.024 0.000 1.081 468 H CA 1.260 57.235 56.048 -0.121 0.000 1.334 468 H CB 0.089 29.744 29.762 -0.179 0.000 1.385 468 H HN 0.178 nan 8.280 nan 0.000 0.504 469 D N 0.464 120.963 120.400 0.165 0.000 2.104 469 D HA -0.163 4.477 4.640 -0.000 0.000 0.194 469 D C 2.351 178.780 176.300 0.215 0.000 0.994 469 D CA 1.242 55.358 54.000 0.193 0.000 0.830 469 D CB -0.494 40.379 40.800 0.122 0.000 0.959 469 D HN 0.417 nan 8.370 nan 0.000 0.452 470 A N 0.778 123.669 122.820 0.117 0.000 1.873 470 A HA -0.178 4.142 4.320 -0.000 0.000 0.218 470 A C 2.419 180.088 177.584 0.142 0.000 1.193 470 A CA 1.324 53.422 52.037 0.102 0.000 0.629 470 A CB -0.915 18.105 19.000 0.034 0.000 0.826 470 A HN 0.233 nan 8.150 nan 0.000 0.447 471 L N -2.146 119.146 121.223 0.115 0.000 2.217 471 L HA -0.108 4.232 4.340 -0.000 0.000 0.211 471 L C 2.471 179.462 176.870 0.203 0.000 1.107 471 L CA 1.270 56.181 54.840 0.119 0.000 0.783 471 L CB -0.578 41.486 42.059 0.007 0.000 0.919 471 L HN 0.618 nan 8.230 nan 0.000 0.442 472 Y N 0.300 120.664 120.300 0.106 0.000 2.200 472 Y HA -0.211 4.339 4.550 -0.000 0.000 0.290 472 Y C 2.813 178.778 175.900 0.108 0.000 1.137 472 Y CA 1.360 59.526 58.100 0.110 0.000 1.163 472 Y CB -0.086 38.439 38.460 0.109 0.000 0.988 472 Y HN -0.073 nan 8.280 nan 0.000 0.518 473 R N 0.052 120.563 120.500 0.018 0.000 2.062 473 R HA -0.226 4.114 4.340 -0.000 0.000 0.231 473 R C 2.110 178.367 176.300 -0.073 0.000 1.136 473 R CA 1.913 57.972 56.100 -0.068 0.000 0.948 473 R CB -1.686 28.671 30.300 0.095 0.000 0.845 473 R HN 0.650 nan 8.270 nan 0.000 0.430 474 W N 1.583 122.819 121.300 -0.106 0.000 2.290 474 W HA -0.286 4.373 4.660 -0.000 0.000 0.328 474 W C 1.963 178.378 176.519 -0.173 0.000 1.272 474 W CA 2.331 59.605 57.345 -0.118 0.000 1.262 474 W CB -0.479 28.918 29.460 -0.105 0.000 1.151 474 W HN 0.035 nan 8.180 nan 0.000 0.473 475 I N 0.398 120.998 120.570 0.051 0.000 2.099 475 I HA -0.385 3.785 4.170 -0.000 0.000 0.239 475 I C 2.521 178.439 176.117 -0.330 0.000 1.066 475 I CA 1.702 62.895 61.300 -0.179 0.000 1.324 475 I CB -1.252 36.681 38.000 -0.112 0.000 1.037 475 I HN -0.026 nan 8.210 nan 0.000 0.401 476 K N 1.058 121.266 120.400 -0.320 0.000 2.071 476 K HA -0.206 4.114 4.320 -0.000 0.000 0.217 476 K C 2.288 178.735 176.600 -0.255 0.000 1.054 476 K CA 1.857 57.963 56.287 -0.301 0.000 0.937 476 K CB -0.782 31.494 32.500 -0.372 0.000 0.719 476 K HN 0.275 nan 8.250 nan 0.000 0.454 477 S N 0.375 115.889 115.700 -0.309 0.000 2.345 477 S HA -0.089 4.381 4.470 -0.000 0.000 0.220 477 S C 2.210 176.586 174.600 -0.372 0.000 1.031 477 S CA 1.315 59.329 58.200 -0.310 0.000 0.996 477 S CB -0.225 62.780 63.200 -0.324 0.000 0.882 477 S HN 0.052 nan 8.310 nan 0.000 0.445 478 V N 1.326 120.875 119.914 -0.609 0.000 2.270 478 V HA -0.074 4.046 4.120 -0.000 0.000 0.245 478 V C 0.816 176.693 176.094 -0.361 0.000 1.043 478 V CA 1.500 63.433 62.300 -0.611 0.000 1.014 478 V CB -0.336 30.831 31.823 -1.093 0.000 0.645 478 V HN 0.401 nan 8.190 nan 0.000 0.447 479 D N -0.567 119.656 120.400 -0.296 0.000 2.408 479 D HA 0.270 4.910 4.640 -0.000 0.000 0.261 479 D C -2.184 174.102 176.300 -0.023 0.000 1.190 479 D CA -2.059 51.879 54.000 -0.103 0.000 0.910 479 D CB 1.630 42.447 40.800 0.029 0.000 1.097 479 D HN 0.142 nan 8.370 nan 0.000 0.522 480 P HA -0.003 nan 4.420 nan 0.000 0.249 480 P C 1.218 178.533 177.300 0.024 0.000 1.229 480 P CA 0.284 63.372 63.100 -0.021 0.000 0.788 480 P CB 0.308 31.985 31.700 -0.040 0.000 1.072 481 S N -0.573 115.154 115.700 0.044 0.000 2.406 481 S HA -0.015 4.455 4.470 -0.000 0.000 0.228 481 S C 1.001 175.632 174.600 0.052 0.000 1.020 481 S CA 0.290 58.519 58.200 0.049 0.000 0.965 481 S CB -0.301 62.919 63.200 0.034 0.000 0.798 481 S HN 0.068 nan 8.310 nan 0.000 0.488 482 R N 0.962 121.509 120.500 0.079 0.000 2.854 482 R HA 0.671 5.011 4.340 -0.000 0.000 0.271 482 R C -2.987 173.367 176.300 0.090 0.000 0.996 482 R CA -2.390 53.725 56.100 0.025 0.000 0.961 482 R CB 0.901 31.111 30.300 -0.151 0.000 1.182 482 R HN 0.188 nan 8.270 nan 0.000 0.479 483 P HA 0.233 nan 4.420 nan 0.000 0.278 483 P C -0.980 176.429 177.300 0.181 0.000 1.266 483 P CA -0.560 62.606 63.100 0.110 0.000 0.807 483 P CB 0.765 32.511 31.700 0.078 0.000 1.094 484 V N 0.576 120.630 119.914 0.235 0.000 2.680 484 V HA 0.555 4.675 4.120 -0.000 0.000 0.309 484 V C -0.049 176.216 176.094 0.285 0.000 1.052 484 V CA -0.592 61.896 62.300 0.313 0.000 0.908 484 V CB 1.310 33.349 31.823 0.360 0.000 1.001 484 V HN 0.656 nan 8.190 nan 0.000 0.431 485 Q N 2.673 122.616 119.800 0.238 0.000 2.451 485 Q HA 0.820 5.160 4.340 -0.000 0.000 0.281 485 Q C -1.755 174.363 176.000 0.196 0.000 1.099 485 Q CA -0.996 54.899 55.803 0.153 0.000 0.806 485 Q CB 2.928 31.699 28.738 0.055 0.000 1.419 485 Q HN 0.749 nan 8.270 nan 0.000 0.427 486 Y N 0.448 120.717 120.300 -0.053 0.000 2.246 486 Y HA 0.122 4.672 4.550 -0.000 0.000 0.315 486 Y C -0.237 175.562 175.900 -0.169 0.000 1.251 486 Y CA -0.494 57.542 58.100 -0.107 0.000 1.212 486 Y CB 1.783 40.188 38.460 -0.092 0.000 1.277 486 Y HN 0.965 nan 8.280 nan 0.000 0.398 487 E N 3.695 123.415 120.200 -0.799 0.000 2.208 487 E HA 0.054 4.404 4.350 -0.000 0.000 0.193 487 E C 0.912 177.063 176.600 -0.749 0.000 0.988 487 E CA 0.966 56.983 56.400 -0.637 0.000 0.828 487 E CB 0.108 29.501 29.700 -0.512 0.000 0.763 487 E HN 0.897 nan 8.360 nan 0.000 0.478 488 G N -0.250 107.677 108.800 -1.456 0.000 2.670 488 G HA2 0.116 4.076 3.960 -0.000 0.000 0.233 488 G HA3 0.116 4.076 3.960 -0.000 0.000 0.233 488 G C 0.853 175.599 174.900 -0.258 0.000 1.251 488 G CA 0.427 45.070 45.100 -0.763 0.000 0.849 488 G HN 0.382 nan 8.290 nan 0.000 0.588 489 G N -0.868 107.880 108.800 -0.088 0.000 2.233 489 G HA2 0.190 4.150 3.960 -0.000 0.000 0.270 489 G HA3 0.190 4.150 3.960 -0.000 0.000 0.270 489 G C 1.310 176.181 174.900 -0.048 0.000 1.011 489 G CA 1.314 46.409 45.100 -0.009 0.000 0.762 489 G HN 2.580 nan 8.290 nan 0.000 0.511 490 G N -2.083 106.682 108.800 -0.059 0.000 2.318 490 G HA2 0.420 4.380 3.960 -0.000 0.000 0.172 490 G HA3 0.420 4.380 3.960 -0.000 0.000 0.172 490 G C 1.098 176.056 174.900 0.097 0.000 1.002 490 G CA 1.180 46.304 45.100 0.040 0.000 0.697 490 G HN 2.260 nan 8.290 nan 0.000 0.483 491 A N 0.125 122.897 122.820 -0.080 0.000 2.945 491 A HA -0.081 4.239 4.320 -0.000 0.000 0.263 491 A C 1.057 178.561 177.584 -0.135 0.000 1.293 491 A CA 2.601 54.543 52.037 -0.158 0.000 0.944 491 A CB -1.762 17.129 19.000 -0.182 0.000 1.093 491 A HN 2.098 nan 8.150 nan 0.000 0.786 492 D N -1.414 118.965 120.400 -0.034 0.000 2.712 492 D HA 0.251 4.891 4.640 -0.000 0.000 0.300 492 D C 0.314 176.585 176.300 -0.048 0.000 1.521 492 D CA 0.791 54.782 54.000 -0.015 0.000 0.790 492 D CB -1.150 39.742 40.800 0.154 0.000 1.155 492 D HN 0.760 nan 8.370 nan 0.000 0.456 493 T N -2.563 111.900 114.554 -0.151 0.000 2.729 493 T HA 0.229 4.579 4.350 -0.000 0.000 0.298 493 T C 1.791 176.368 174.700 -0.204 0.000 1.013 493 T CA 0.570 62.525 62.100 -0.240 0.000 0.957 493 T CB 0.741 69.267 68.868 -0.570 0.000 1.130 493 T HN 0.077 nan 8.240 nan 0.000 0.526 494 T N -1.746 112.698 114.554 -0.183 0.000 2.833 494 T HA -0.002 4.348 4.350 -0.000 0.000 0.269 494 T C 1.981 176.430 174.700 -0.418 0.000 1.054 494 T CA 0.744 62.740 62.100 -0.172 0.000 1.135 494 T CB -0.871 67.974 68.868 -0.039 0.000 0.869 494 T HN 0.845 nan 8.240 nan 0.000 0.466 495 A N 0.583 123.194 122.820 -0.349 0.000 2.265 495 A HA 0.404 4.724 4.320 -0.000 0.000 0.213 495 A C 1.013 178.302 177.584 -0.491 0.000 1.255 495 A CA 0.185 51.907 52.037 -0.526 0.000 0.862 495 A CB -0.487 18.493 19.000 -0.033 0.000 0.852 495 A HN 0.478 nan 8.150 nan 0.000 0.484 496 T N -1.666 112.650 114.554 -0.396 0.000 2.909 496 T HA 0.416 4.766 4.350 -0.000 0.000 0.299 496 T C -0.449 174.216 174.700 -0.059 0.000 1.073 496 T CA -0.514 61.511 62.100 -0.126 0.000 0.999 496 T CB 1.366 70.196 68.868 -0.064 0.000 1.098 496 T HN 0.121 nan 8.240 nan 0.000 0.477 497 D N 2.110 122.559 120.400 0.083 0.000 2.366 497 D HA 0.290 4.930 4.640 -0.000 0.000 0.205 497 D C 0.182 176.490 176.300 0.014 0.000 1.022 497 D CA 0.534 54.588 54.000 0.090 0.000 0.868 497 D CB 0.537 41.438 40.800 0.168 0.000 0.953 497 D HN 0.451 nan 8.370 nan 0.000 0.514 498 I N 1.135 121.693 120.570 -0.020 0.000 2.509 498 I HA 0.235 4.405 4.170 -0.000 0.000 0.293 498 I C -0.058 175.971 176.117 -0.148 0.000 1.020 498 I CA -0.776 60.478 61.300 -0.077 0.000 1.088 498 I CB 2.802 40.769 38.000 -0.056 0.000 1.267 498 I HN -0.307 nan 8.210 nan 0.000 0.430 499 I N 5.656 126.093 120.570 -0.223 0.000 2.406 499 I HA 0.084 4.254 4.170 -0.000 0.000 0.293 499 I C -0.091 175.794 176.117 -0.387 0.000 1.101 499 I CA -0.163 60.913 61.300 -0.372 0.000 1.334 499 I CB -0.119 37.553 38.000 -0.546 0.000 1.421 499 I HN 0.656 nan 8.210 nan 0.000 0.513 500 C N 5.683 124.779 119.300 -0.340 0.000 2.717 500 C HA 0.487 4.947 4.460 -0.000 0.000 0.306 500 C C -2.167 172.647 174.990 -0.293 0.000 1.225 500 C CA -2.382 56.468 59.018 -0.281 0.000 1.658 500 C CB -0.974 26.645 27.740 -0.202 0.000 1.714 500 C HN 0.418 nan 8.230 nan 0.000 0.463 501 P HA 0.402 nan 4.420 nan 0.000 0.276 501 P C -0.463 176.742 177.300 -0.159 0.000 1.261 501 P CA -0.000 62.980 63.100 -0.200 0.000 0.800 501 P CB 0.753 32.388 31.700 -0.108 0.000 1.066 502 M N -0.134 119.385 119.600 -0.135 0.000 2.253 502 M HA 0.506 4.986 4.480 -0.000 0.000 0.314 502 M C -1.143 175.044 176.300 -0.188 0.000 1.019 502 M CA -0.667 54.440 55.300 -0.323 0.000 0.932 502 M CB 1.394 33.715 32.600 -0.465 0.000 1.606 502 M HN 0.227 nan 8.290 nan 0.000 0.430 503 Y N -0.334 120.094 120.300 0.213 0.000 3.892 503 Y HA -0.119 4.431 4.550 -0.000 0.000 0.231 503 Y C 0.068 176.114 175.900 0.243 0.000 1.266 503 Y CA 0.433 58.670 58.100 0.229 0.000 1.856 503 Y CB -2.452 36.140 38.460 0.220 0.000 1.578 503 Y HN 0.993 nan 8.280 nan 0.000 0.669 504 A N 0.700 123.725 122.820 0.341 0.000 2.310 504 A HA 0.787 5.107 4.320 -0.000 0.000 0.299 504 A C 0.533 178.337 177.584 0.367 0.000 1.147 504 A CA -0.768 51.475 52.037 0.343 0.000 0.818 504 A CB 0.608 19.844 19.000 0.394 0.000 1.096 504 A HN 0.350 nan 8.150 nan 0.000 0.495 505 R N 1.615 122.256 120.500 0.235 0.000 2.459 505 R HA 0.333 4.673 4.340 -0.000 0.000 0.281 505 R C 1.020 177.339 176.300 0.033 0.000 1.050 505 R CA -0.684 55.493 56.100 0.128 0.000 1.055 505 R CB 1.105 31.438 30.300 0.055 0.000 1.045 505 R HN 0.493 nan 8.270 nan 0.000 0.495 506 V N 1.561 121.371 119.914 -0.174 0.000 2.282 506 V HA -0.297 3.823 4.120 -0.000 0.000 0.249 506 V C 0.875 176.903 176.094 -0.110 0.000 1.057 506 V CA 2.181 64.350 62.300 -0.219 0.000 1.032 506 V CB -0.245 31.329 31.823 -0.415 0.000 0.645 506 V HN 0.854 nan 8.190 nan 0.000 0.447 507 D N -2.431 117.922 120.400 -0.079 0.000 2.502 507 D HA 0.118 4.757 4.640 -0.000 0.000 0.232 507 D C 0.762 177.058 176.300 -0.008 0.000 1.137 507 D CA -0.092 53.887 54.000 -0.035 0.000 0.827 507 D CB 0.933 41.714 40.800 -0.032 0.000 1.141 507 D HN 0.446 nan 8.370 nan 0.000 0.517 508 E N 1.770 121.964 120.200 -0.009 0.000 2.227 508 E HA 0.114 4.464 4.350 -0.000 0.000 0.282 508 E C -0.769 175.826 176.600 -0.007 0.000 1.015 508 E CA -0.488 55.906 56.400 -0.011 0.000 0.823 508 E CB 1.187 30.873 29.700 -0.024 0.000 1.081 508 E HN -0.123 nan 8.360 nan 0.000 0.396 509 D N 2.800 123.192 120.400 -0.012 0.000 2.313 509 D HA 0.117 4.757 4.640 -0.000 0.000 0.247 509 D C -0.528 175.662 176.300 -0.183 0.000 1.094 509 D CA 0.165 54.146 54.000 -0.030 0.000 0.925 509 D CB 1.117 41.961 40.800 0.075 0.000 1.188 509 D HN 0.358 nan 8.370 nan 0.000 0.430 510 Q N 1.327 120.911 119.800 -0.360 0.000 2.798 510 Q HA 0.226 4.566 4.340 -0.000 0.000 0.250 510 Q C -2.080 173.386 176.000 -0.890 0.000 1.006 510 Q CA -1.556 53.862 55.803 -0.642 0.000 0.759 510 Q CB 1.942 30.325 28.738 -0.592 0.000 1.201 510 Q HN 0.117 nan 8.270 nan 0.000 0.486 511 P HA -0.049 nan 4.420 nan 0.000 0.277 511 P C -0.604 176.432 177.300 -0.440 0.000 1.617 511 P CA 0.005 62.772 63.100 -0.555 0.000 0.829 511 P CB -0.589 30.948 31.700 -0.273 0.000 1.774 512 F N 2.465 122.250 119.950 -0.275 0.000 2.623 512 F HA 0.065 4.592 4.527 -0.000 0.000 0.383 512 F C -1.165 174.526 175.800 -0.182 0.000 1.077 512 F CA -2.190 55.697 58.000 -0.189 0.000 1.268 512 F CB -1.039 37.864 39.000 -0.162 0.000 1.053 512 F HN 0.063 nan 8.300 nan 0.000 0.571 513 P HA 0.167 nan 4.420 nan 0.000 0.268 513 P C 0.411 177.723 177.300 0.020 0.000 1.204 513 P CA 1.072 64.189 63.100 0.028 0.000 0.768 513 P CB 1.161 32.878 31.700 0.028 0.000 0.842 514 A N 3.137 125.959 122.820 0.004 0.000 1.470 514 A HA -0.249 4.071 4.320 -0.000 0.000 0.224 514 A C 0.665 178.246 177.584 -0.005 0.000 0.453 514 A CA 1.759 53.800 52.037 0.006 0.000 1.102 514 A CB -2.712 16.292 19.000 0.006 0.000 1.462 514 A HN 0.690 nan 8.150 nan 0.000 0.719 515 V N -2.201 117.706 119.914 -0.011 0.000 2.271 515 V HA 0.640 4.760 4.120 -0.000 0.000 0.259 515 V C -2.526 173.546 176.094 -0.037 0.000 1.030 515 V CA -1.371 60.916 62.300 -0.022 0.000 0.957 515 V CB 0.635 32.446 31.823 -0.020 0.000 1.186 515 V HN 0.510 nan 8.190 nan 0.000 0.471 516 P HA 0.437 nan 4.420 nan 0.000 0.276 516 P C -0.841 176.007 177.300 -0.754 0.000 1.252 516 P CA -0.366 62.407 63.100 -0.545 0.000 0.802 516 P CB 0.939 31.984 31.700 -1.093 0.000 1.035 517 K N 1.141 121.113 120.400 -0.713 0.000 2.478 517 K HA 0.304 4.624 4.320 -0.000 0.000 0.236 517 K C -0.604 175.664 176.600 -0.554 0.000 1.021 517 K CA -0.417 55.562 56.287 -0.515 0.000 1.010 517 K CB 0.276 32.808 32.500 0.054 0.000 1.331 517 K HN 0.412 nan 8.250 nan 0.000 0.470 518 W N 1.603 122.552 121.300 -0.587 0.000 2.123 518 W HA 0.000 4.660 4.660 -0.000 0.000 0.351 518 W C 1.361 177.857 176.519 -0.037 0.000 1.292 518 W CA -0.480 56.629 57.345 -0.394 0.000 1.263 518 W CB 0.419 29.447 29.460 -0.720 0.000 1.165 518 W HN 0.433 nan 8.180 nan 0.000 0.590 519 S N 2.530 118.384 115.700 0.258 0.000 2.559 519 S HA -0.070 4.400 4.470 -0.000 0.000 0.282 519 S C 1.180 175.939 174.600 0.265 0.000 1.336 519 S CA -0.127 58.179 58.200 0.176 0.000 1.037 519 S CB 0.267 63.519 63.200 0.088 0.000 0.853 519 S HN 0.480 nan 8.310 nan 0.000 0.523 520 I N 1.656 122.348 120.570 0.202 0.000 2.439 520 I HA -0.086 4.084 4.170 -0.000 0.000 0.251 520 I C 1.979 178.147 176.117 0.084 0.000 1.139 520 I CA 0.956 62.386 61.300 0.217 0.000 1.438 520 I CB -0.498 37.582 38.000 0.134 0.000 1.085 520 I HN 0.597 nan 8.210 nan 0.000 0.427 521 K N 1.885 122.244 120.400 -0.069 0.000 2.026 521 K HA -0.199 4.121 4.320 -0.000 0.000 0.208 521 K C 2.246 178.849 176.600 0.006 0.000 1.048 521 K CA 1.799 57.967 56.287 -0.198 0.000 0.929 521 K CB -0.283 32.035 32.500 -0.304 0.000 0.713 521 K HN 0.367 nan 8.250 nan 0.000 0.439 522 K N 0.457 120.885 120.400 0.046 0.000 2.026 522 K HA -0.189 4.131 4.320 -0.000 0.000 0.208 522 K C 1.998 178.623 176.600 0.041 0.000 1.048 522 K CA 1.078 57.371 56.287 0.010 0.000 0.929 522 K CB -0.128 32.349 32.500 -0.039 0.000 0.713 522 K HN 0.198 nan 8.250 nan 0.000 0.439 523 W N 1.963 123.243 121.300 -0.033 0.000 2.290 523 W HA -0.277 4.383 4.660 -0.000 0.000 0.323 523 W C 1.738 178.232 176.519 -0.042 0.000 1.260 523 W CA 1.551 58.889 57.345 -0.012 0.000 1.266 523 W CB -0.952 28.581 29.460 0.121 0.000 1.149 523 W HN 0.149 nan 8.180 nan 0.000 0.482 524 L N 0.666 122.031 121.223 0.237 0.000 2.103 524 L HA -0.291 4.049 4.340 -0.000 0.000 0.215 524 L C 2.187 179.114 176.870 0.095 0.000 1.080 524 L CA 2.163 57.075 54.840 0.119 0.000 0.764 524 L CB -1.074 41.045 42.059 0.100 0.000 0.890 524 L HN 0.070 nan 8.230 nan 0.000 0.435 525 S N -1.592 114.151 115.700 0.073 0.000 2.575 525 S HA 0.290 4.760 4.470 -0.000 0.000 0.237 525 S C 0.416 174.999 174.600 -0.029 0.000 0.975 525 S CA -0.625 57.589 58.200 0.023 0.000 0.960 525 S CB -0.353 62.859 63.200 0.020 0.000 0.822 525 S HN 0.162 nan 8.310 nan 0.000 0.472 526 L N 2.028 123.227 121.223 -0.039 0.000 2.467 526 L HA 0.309 4.649 4.340 -0.000 0.000 0.270 526 L C -2.218 174.621 176.870 -0.051 0.000 1.205 526 L CA -2.000 52.773 54.840 -0.112 0.000 0.828 526 L CB -0.259 41.697 42.059 -0.171 0.000 1.101 526 L HN 0.054 nan 8.230 nan 0.000 0.479 527 P HA 0.025 nan 4.420 nan 0.000 0.257 527 P C 0.731 178.023 177.300 -0.014 0.000 1.189 527 P CA 0.922 64.000 63.100 -0.036 0.000 0.780 527 P CB 0.519 32.194 31.700 -0.042 0.000 0.772 528 G N 2.399 111.198 108.800 -0.002 0.000 2.313 528 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.215 528 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.215 528 G C 0.268 175.180 174.900 0.019 0.000 1.023 528 G CA -0.122 44.984 45.100 0.009 0.000 0.626 528 G HN 0.634 nan 8.290 nan 0.000 0.503 529 E N 1.644 121.862 120.200 0.029 0.000 2.414 529 E HA 0.485 4.835 4.350 -0.000 0.000 0.263 529 E C 1.406 178.023 176.600 0.029 0.000 1.000 529 E CA 1.317 57.743 56.400 0.044 0.000 0.914 529 E CB 0.748 30.501 29.700 0.087 0.000 0.948 529 E HN 0.716 nan 8.360 nan 0.000 0.444 530 T N 0.507 115.073 114.554 0.019 0.000 3.046 530 T HA 0.267 4.617 4.350 -0.000 0.000 0.270 530 T C 0.467 175.166 174.700 -0.002 0.000 0.920 530 T CA -0.466 61.641 62.100 0.011 0.000 0.874 530 T CB 0.028 68.903 68.868 0.012 0.000 1.214 530 T HN 0.333 nan 8.240 nan 0.000 0.536 531 R N 2.247 122.738 120.500 -0.015 0.000 2.822 531 R HA 0.486 4.826 4.340 -0.000 0.000 0.277 531 R C -2.540 173.724 176.300 -0.060 0.000 1.102 531 R CA -1.594 54.485 56.100 -0.035 0.000 1.207 531 R CB -0.444 29.827 30.300 -0.048 0.000 1.139 531 R HN 0.224 nan 8.270 nan 0.000 0.557 532 P HA 0.163 nan 4.420 nan 0.000 0.279 532 P C -1.250 175.959 177.300 -0.151 0.000 1.276 532 P CA -0.392 62.650 63.100 -0.096 0.000 0.801 532 P CB 0.584 32.232 31.700 -0.087 0.000 1.127 533 L N 1.202 122.312 121.223 -0.189 0.000 2.409 533 L HA 0.589 4.929 4.340 -0.000 0.000 0.272 533 L C -1.286 175.404 176.870 -0.300 0.000 0.980 533 L CA -0.690 53.994 54.840 -0.260 0.000 0.826 533 L CB 0.499 42.401 42.059 -0.262 0.000 1.268 533 L HN 0.282 nan 8.230 nan 0.000 0.407 534 I N 5.413 125.808 120.570 -0.292 0.000 2.644 534 I HA 0.325 4.495 4.170 -0.000 0.000 0.291 534 I C -1.001 174.964 176.117 -0.253 0.000 1.180 534 I CA -0.667 60.449 61.300 -0.306 0.000 1.040 534 I CB 2.307 40.206 38.000 -0.169 0.000 1.255 534 I HN 0.434 nan 8.210 nan 0.000 0.422 535 L N 5.232 126.262 121.223 -0.322 0.000 2.319 535 L HA 0.181 4.521 4.340 -0.000 0.000 0.280 535 L C 1.307 178.172 176.870 -0.008 0.000 1.099 535 L CA -0.405 54.303 54.840 -0.220 0.000 0.828 535 L CB 0.924 42.798 42.059 -0.309 0.000 1.150 535 L HN 0.863 nan 8.230 nan 0.000 0.442 536 C N 0.064 119.346 119.300 -0.031 0.000 2.446 536 C HA 0.117 4.577 4.460 -0.000 0.000 0.279 536 C C 0.637 175.716 174.990 0.149 0.000 1.366 536 C CA -0.172 58.870 59.018 0.041 0.000 1.763 536 C CB -0.930 26.738 27.740 -0.120 0.000 1.929 536 C HN 0.815 nan 8.230 nan 0.000 0.509 537 E N 0.022 120.240 120.200 0.031 0.000 2.274 537 E HA 0.541 4.891 4.350 -0.000 0.000 0.269 537 E C -1.286 175.322 176.600 0.014 0.000 0.891 537 E CA -0.364 56.089 56.400 0.088 0.000 0.784 537 E CB 1.780 31.368 29.700 -0.187 0.000 1.225 537 E HN 0.593 nan 8.360 nan 0.000 0.412 538 Y N -0.349 119.992 120.300 0.068 0.000 2.669 538 Y HA 0.729 5.279 4.550 -0.000 0.000 0.335 538 Y C -0.350 175.731 175.900 0.301 0.000 1.116 538 Y CA -1.970 56.160 58.100 0.050 0.000 1.081 538 Y CB 0.308 38.620 38.460 -0.247 0.000 1.297 538 Y HN 0.605 nan 8.280 nan 0.000 0.484 539 A N 1.755 124.607 122.820 0.052 0.000 1.978 539 A HA -0.262 4.058 4.320 -0.000 0.000 0.260 539 A C -0.179 177.570 177.584 0.275 0.000 1.340 539 A CA 1.070 53.144 52.037 0.061 0.000 0.740 539 A CB -2.536 16.353 19.000 -0.186 0.000 1.189 539 A HN 1.118 nan 8.150 nan 0.000 0.299 540 H N 1.744 120.960 119.070 0.243 0.000 3.215 540 H HA 0.294 4.850 4.556 -0.000 0.000 0.253 540 H C 1.277 176.679 175.328 0.122 0.000 1.102 540 H CA 0.451 56.661 56.048 0.271 0.000 1.482 540 H CB 0.373 30.170 29.762 0.058 0.000 1.542 540 H HN 0.816 nan 8.280 nan 0.000 0.498 541 A N 6.082 128.857 122.820 -0.074 0.000 2.223 541 A HA -0.035 4.285 4.320 -0.000 0.000 0.222 541 A C 1.092 178.505 177.584 -0.286 0.000 1.317 541 A CA -0.179 51.752 52.037 -0.178 0.000 0.985 541 A CB -0.729 18.171 19.000 -0.167 0.000 0.858 541 A HN 0.802 nan 8.150 nan 0.000 0.496 542 M N 1.085 120.447 119.600 -0.397 0.000 2.251 542 M HA 0.397 4.877 4.480 -0.000 0.000 0.346 542 M C 1.049 177.140 176.300 -0.348 0.000 1.499 542 M CA 1.310 56.394 55.300 -0.360 0.000 1.128 542 M CB -0.351 32.062 32.600 -0.312 0.000 1.809 542 M HN 0.768 nan 8.290 nan 0.000 0.464 543 G N 4.238 112.790 108.800 -0.413 0.000 2.539 543 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.256 543 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.256 543 G C -0.267 174.097 174.900 -0.892 0.000 1.233 543 G CA 0.037 44.746 45.100 -0.652 0.000 0.936 543 G HN 0.873 nan 8.290 nan 0.000 0.571 544 N N 1.345 119.440 118.700 -1.009 0.000 2.549 544 N HA 0.497 5.237 4.740 -0.000 0.000 0.267 544 N C 0.233 175.489 175.510 -0.423 0.000 1.182 544 N CA 1.000 53.621 53.050 -0.715 0.000 1.019 544 N CB 0.339 38.529 38.487 -0.494 0.000 1.380 544 N HN 0.624 nan 8.380 nan 0.000 0.505 545 S N 1.523 117.032 115.700 -0.317 0.000 3.728 545 S HA 0.495 4.965 4.470 -0.000 0.000 0.253 545 S C 0.248 174.757 174.600 -0.151 0.000 1.032 545 S CA -0.462 57.607 58.200 -0.218 0.000 1.323 545 S CB 0.127 63.218 63.200 -0.182 0.000 1.223 545 S HN 0.488 nan 8.310 nan 0.000 0.728 546 L N 0.340 121.511 121.223 -0.087 0.000 4.291 546 L HA -0.121 4.219 4.340 -0.000 0.000 0.413 546 L C 0.311 177.197 176.870 0.026 0.000 1.162 546 L CA 0.665 55.491 54.840 -0.024 0.000 0.961 546 L CB -1.587 40.396 42.059 -0.127 0.000 2.095 546 L HN 0.596 nan 8.230 nan 0.000 0.838 547 G N -0.972 107.806 108.800 -0.037 0.000 2.370 547 G HA2 0.503 4.463 3.960 -0.000 0.000 0.272 547 G HA3 0.503 4.463 3.960 -0.000 0.000 0.272 547 G C 1.137 176.004 174.900 -0.055 0.000 1.208 547 G CA 0.042 45.091 45.100 -0.085 0.000 0.856 547 G HN 1.258 nan 8.290 nan 0.000 0.500 548 G N 1.629 110.388 108.800 -0.068 0.000 2.176 548 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.232 548 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.232 548 G C 0.988 175.946 174.900 0.096 0.000 0.986 548 G CA 0.646 45.715 45.100 -0.051 0.000 0.643 548 G HN 0.711 nan 8.290 nan 0.000 0.522 549 F N 1.986 121.973 119.950 0.061 0.000 2.043 549 F HA 0.019 4.546 4.527 -0.000 0.000 0.297 549 F C 2.820 178.746 175.800 0.210 0.000 1.118 549 F CA 3.165 61.261 58.000 0.161 0.000 1.202 549 F CB -0.599 38.455 39.000 0.090 0.000 0.965 549 F HN 0.370 nan 8.300 nan 0.000 0.482 550 A N -0.399 122.551 122.820 0.217 0.000 1.986 550 A HA -0.271 4.049 4.320 -0.000 0.000 0.220 550 A C 2.298 179.875 177.584 -0.012 0.000 1.171 550 A CA 1.935 54.047 52.037 0.125 0.000 0.640 550 A CB -0.838 18.246 19.000 0.140 0.000 0.811 550 A HN 0.477 nan 8.150 nan 0.000 0.451 551 K N -1.674 118.679 120.400 -0.079 0.000 2.063 551 K HA -0.188 4.132 4.320 -0.000 0.000 0.208 551 K C 1.796 178.169 176.600 -0.379 0.000 1.048 551 K CA 1.823 57.995 56.287 -0.192 0.000 0.928 551 K CB -0.331 32.029 32.500 -0.234 0.000 0.713 551 K HN 0.608 nan 8.250 nan 0.000 0.442 552 Y N -0.338 119.678 120.300 -0.472 0.000 2.049 552 Y HA -0.286 4.264 4.550 -0.000 0.000 0.277 552 Y C 2.162 177.189 175.900 -1.455 0.000 1.143 552 Y CA 1.835 59.342 58.100 -0.989 0.000 1.115 552 Y CB -0.877 36.877 38.460 -1.178 0.000 0.975 552 Y HN 0.181 nan 8.280 nan 0.000 0.487 553 W N 0.436 121.217 121.300 -0.866 0.000 2.296 553 W HA -0.298 4.362 4.660 -0.000 0.000 0.296 553 W C 2.665 179.022 176.519 -0.271 0.000 1.220 553 W CA 2.024 59.026 57.345 -0.570 0.000 1.223 553 W CB -0.605 28.646 29.460 -0.348 0.000 1.139 553 W HN 0.205 nan 8.180 nan 0.000 0.534 554 Q N 0.268 119.990 119.800 -0.129 0.000 2.046 554 Q HA -0.184 4.156 4.340 -0.000 0.000 0.200 554 Q C 2.330 178.330 176.000 0.000 0.000 0.975 554 Q CA 1.890 57.678 55.803 -0.025 0.000 0.836 554 Q CB -0.477 28.257 28.738 -0.007 0.000 0.896 554 Q HN 0.260 nan 8.270 nan 0.000 0.428 555 A N 1.071 123.838 122.820 -0.090 0.000 1.851 555 A HA -0.200 4.120 4.320 -0.000 0.000 0.216 555 A C 1.810 179.504 177.584 0.183 0.000 1.195 555 A CA 1.489 53.533 52.037 0.012 0.000 0.622 555 A CB -1.054 17.856 19.000 -0.150 0.000 0.831 555 A HN 0.423 nan 8.150 nan 0.000 0.444 556 F N 0.065 119.907 119.950 -0.181 0.000 2.067 556 F HA -0.283 4.244 4.527 -0.000 0.000 0.295 556 F C 2.493 178.257 175.800 -0.061 0.000 1.142 556 F CA 1.959 59.816 58.000 -0.239 0.000 1.230 556 F CB -1.434 37.218 39.000 -0.579 0.000 0.941 556 F HN 0.216 nan 8.300 nan 0.000 0.518 557 R N -0.215 120.421 120.500 0.226 0.000 2.249 557 R HA -0.182 4.158 4.340 -0.000 0.000 0.230 557 R C 2.107 178.482 176.300 0.124 0.000 1.121 557 R CA 1.145 57.338 56.100 0.155 0.000 0.997 557 R CB -0.395 29.985 30.300 0.134 0.000 0.867 557 R HN 0.534 nan 8.270 nan 0.000 0.465 558 Q N -0.454 119.456 119.800 0.185 0.000 2.165 558 Q HA -0.014 4.326 4.340 -0.000 0.000 0.197 558 Q C -0.385 175.662 176.000 0.079 0.000 0.952 558 Q CA 0.758 56.653 55.803 0.154 0.000 0.848 558 Q CB 0.475 29.344 28.738 0.219 0.000 0.931 558 Q HN 0.212 nan 8.270 nan 0.000 0.470 559 Y N 0.580 120.888 120.300 0.012 0.000 2.385 559 Y HA 0.223 4.773 4.550 -0.000 0.000 0.341 559 Y C -1.704 174.180 175.900 -0.026 0.000 0.965 559 Y CA -2.749 55.350 58.100 -0.003 0.000 1.180 559 Y CB 1.202 39.664 38.460 0.004 0.000 1.139 559 Y HN 0.194 nan 8.280 nan 0.000 0.502 560 P HA -0.201 nan 4.420 nan 0.000 0.217 560 P C 1.188 178.490 177.300 0.003 0.000 1.148 560 P CA 1.607 64.717 63.100 0.016 0.000 0.834 560 P CB 0.357 32.052 31.700 -0.008 0.000 0.783 561 R N -1.236 119.281 120.500 0.029 0.000 2.297 561 R HA 0.170 4.510 4.340 -0.000 0.000 0.197 561 R C 0.529 176.785 176.300 -0.073 0.000 0.943 561 R CA -0.060 56.031 56.100 -0.016 0.000 1.038 561 R CB -0.260 30.043 30.300 0.005 0.000 0.957 561 R HN 0.273 nan 8.270 nan 0.000 0.484 562 L N 1.919 123.106 121.223 -0.060 0.000 2.295 562 L HA 0.122 4.462 4.340 -0.000 0.000 0.288 562 L C 0.956 177.626 176.870 -0.333 0.000 1.079 562 L CA 0.166 54.889 54.840 -0.196 0.000 0.830 562 L CB 1.183 43.186 42.059 -0.093 0.000 1.200 562 L HN 0.015 nan 8.230 nan 0.000 0.438 563 Q N 2.672 122.224 119.800 -0.414 0.000 2.282 563 Q HA 0.338 4.678 4.340 -0.000 0.000 0.206 563 Q C 0.770 176.396 176.000 -0.624 0.000 0.878 563 Q CA 0.155 55.715 55.803 -0.405 0.000 0.944 563 Q CB 1.157 29.753 28.738 -0.238 0.000 1.100 563 Q HN 0.928 nan 8.270 nan 0.000 0.509 564 G N -0.456 107.664 108.800 -1.134 0.000 2.293 564 G HA2 0.299 4.259 3.960 -0.000 0.000 0.282 564 G HA3 0.299 4.259 3.960 -0.000 0.000 0.282 564 G C -0.909 173.261 174.900 -1.217 0.000 1.299 564 G CA -0.644 43.617 45.100 -1.399 0.000 1.018 564 G HN 0.364 nan 8.290 nan 0.000 0.478 565 G N -1.941 106.314 108.800 -0.907 0.000 2.506 565 G HA2 0.655 4.615 3.960 -0.000 0.000 0.292 565 G HA3 0.655 4.615 3.960 -0.000 0.000 0.292 565 G C -1.966 172.623 174.900 -0.519 0.000 1.425 565 G CA -0.578 44.042 45.100 -0.800 0.000 0.788 565 G HN 0.965 nan 8.290 nan 0.000 0.490 566 F N 0.799 120.776 119.950 0.045 0.000 2.375 566 F HA 0.499 5.026 4.527 -0.000 0.000 0.361 566 F C 0.756 176.929 175.800 0.622 0.000 1.117 566 F CA -0.694 57.514 58.000 0.348 0.000 1.037 566 F CB 1.988 41.124 39.000 0.227 0.000 1.192 566 F HN 0.221 nan 8.300 nan 0.000 0.452 567 V N 3.738 124.159 119.914 0.846 0.000 2.843 567 V HA -0.078 4.042 4.120 -0.000 0.000 0.305 567 V C -0.317 176.096 176.094 0.532 0.000 1.065 567 V CA -0.295 62.380 62.300 0.624 0.000 1.116 567 V CB 0.948 33.065 31.823 0.489 0.000 0.968 567 V HN 0.752 nan 8.190 nan 0.000 0.487 568 W N 6.308 127.819 121.300 0.352 0.000 2.361 568 W HA 0.455 5.115 4.660 -0.000 0.000 0.314 568 W C -0.941 175.714 176.519 0.228 0.000 1.041 568 W CA -0.755 56.800 57.345 0.350 0.000 1.241 568 W CB 1.565 31.338 29.460 0.522 0.000 1.279 568 W HN 0.876 nan 8.180 nan 0.000 0.436 569 D N 3.207 123.242 120.400 -0.608 0.000 2.837 569 D HA 0.138 4.778 4.640 -0.000 0.000 0.294 569 D C 0.635 176.719 176.300 -0.361 0.000 1.158 569 D CA -0.509 52.992 54.000 -0.832 0.000 1.073 569 D CB 0.285 39.809 40.800 -2.126 0.000 1.419 569 D HN 0.459 nan 8.370 nan 0.000 0.584 570 W N 0.651 121.660 121.300 -0.486 0.000 2.488 570 W HA 0.148 4.808 4.660 -0.000 0.000 0.304 570 W C -0.299 175.991 176.519 -0.382 0.000 1.175 570 W CA 0.924 58.034 57.345 -0.391 0.000 1.365 570 W CB 0.323 29.588 29.460 -0.324 0.000 1.131 570 W HN 0.202 nan 8.180 nan 0.000 0.520 571 V N 1.086 120.836 119.914 -0.273 0.000 2.815 571 V HA 0.345 4.465 4.120 -0.000 0.000 0.314 571 V C -0.458 175.414 176.094 -0.371 0.000 1.064 571 V CA -1.062 60.998 62.300 -0.400 0.000 0.952 571 V CB 1.410 33.122 31.823 -0.184 0.000 1.020 571 V HN -0.126 nan 8.190 nan 0.000 0.439 572 D N 2.132 122.306 120.400 -0.377 0.000 2.390 572 D HA 0.170 4.810 4.640 -0.000 0.000 0.249 572 D C -0.128 175.928 176.300 -0.406 0.000 1.144 572 D CA 0.340 54.152 54.000 -0.313 0.000 0.880 572 D CB 1.431 42.115 40.800 -0.193 0.000 1.182 572 D HN 0.634 nan 8.370 nan 0.000 0.451 573 Q N 1.320 120.873 119.800 -0.412 0.000 2.566 573 Q HA 0.217 4.557 4.340 -0.000 0.000 0.221 573 Q C -0.446 175.433 176.000 -0.201 0.000 1.195 573 Q CA -0.328 55.097 55.803 -0.630 0.000 0.967 573 Q CB 0.445 28.991 28.738 -0.319 0.000 1.337 573 Q HN 0.369 nan 8.270 nan 0.000 0.553 574 S N 1.840 117.416 115.700 -0.207 0.000 2.542 574 S HA 0.700 5.170 4.470 -0.000 0.000 0.293 574 S C -0.692 173.970 174.600 0.103 0.000 1.089 574 S CA -0.876 57.377 58.200 0.090 0.000 0.961 574 S CB 1.341 64.589 63.200 0.081 0.000 1.062 574 S HN 0.409 nan 8.310 nan 0.000 0.483 575 L N 2.478 123.733 121.223 0.052 0.000 2.329 575 L HA 0.566 4.906 4.340 -0.000 0.000 0.279 575 L C -0.413 176.349 176.870 -0.179 0.000 1.014 575 L CA -0.952 53.826 54.840 -0.103 0.000 0.814 575 L CB 1.589 43.451 42.059 -0.328 0.000 1.257 575 L HN 0.679 nan 8.230 nan 0.000 0.424 576 I N 3.561 123.983 120.570 -0.246 0.000 2.471 576 I HA 0.090 4.260 4.170 -0.000 0.000 0.286 576 I C 0.248 175.991 176.117 -0.623 0.000 1.079 576 I CA 0.381 61.426 61.300 -0.426 0.000 1.398 576 I CB 0.391 38.137 38.000 -0.424 0.000 1.403 576 I HN 0.554 nan 8.210 nan 0.000 0.530 577 K N 5.303 125.128 120.400 -0.959 0.000 2.280 577 K HA 0.525 4.845 4.320 -0.000 0.000 0.234 577 K C -1.480 174.527 176.600 -0.989 0.000 1.028 577 K CA -0.794 54.873 56.287 -1.034 0.000 0.882 577 K CB 1.685 33.281 32.500 -1.508 0.000 1.194 577 K HN 0.254 nan 8.250 nan 0.000 0.458 578 Y N 0.575 120.693 120.300 -0.302 0.000 2.468 578 Y HA 0.155 4.705 4.550 -0.000 0.000 0.342 578 Y C 0.041 176.006 175.900 0.108 0.000 1.021 578 Y CA -0.915 57.150 58.100 -0.058 0.000 1.079 578 Y CB 1.414 39.855 38.460 -0.033 0.000 1.226 578 Y HN 0.624 nan 8.280 nan 0.000 0.460 579 D N 0.775 121.418 120.400 0.405 0.000 2.326 579 D HA 0.180 4.820 4.640 -0.000 0.000 0.248 579 D C 0.560 176.984 176.300 0.207 0.000 1.001 579 D CA -0.496 53.713 54.000 0.349 0.000 0.961 579 D CB 1.052 42.051 40.800 0.332 0.000 1.183 579 D HN 0.676 nan 8.370 nan 0.000 0.502 580 E N 1.389 121.673 120.200 0.139 0.000 2.241 580 E HA -0.340 4.010 4.350 -0.000 0.000 0.244 580 E C 1.141 177.785 176.600 0.074 0.000 1.070 580 E CA 2.004 58.453 56.400 0.082 0.000 0.998 580 E CB -0.696 29.034 29.700 0.050 0.000 0.879 580 E HN 0.642 nan 8.360 nan 0.000 0.501 581 N N 0.850 119.595 118.700 0.075 0.000 2.626 581 N HA -0.029 4.711 4.740 -0.000 0.000 0.193 581 N C 0.994 176.551 175.510 0.078 0.000 1.213 581 N CA 0.654 53.741 53.050 0.062 0.000 0.914 581 N CB 0.220 38.737 38.487 0.050 0.000 0.994 581 N HN 0.443 nan 8.380 nan 0.000 0.447 582 G N 1.367 110.239 108.800 0.120 0.000 2.149 582 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.235 582 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.235 582 G C -0.467 174.592 174.900 0.265 0.000 1.018 582 G CA -0.508 44.675 45.100 0.138 0.000 0.728 582 G HN 0.343 nan 8.290 nan 0.000 0.508 583 N N 1.587 120.447 118.700 0.266 0.000 2.422 583 N HA 0.420 5.160 4.740 -0.000 0.000 0.264 583 N C -2.812 172.889 175.510 0.318 0.000 1.063 583 N CA -1.147 52.056 53.050 0.256 0.000 0.959 583 N CB 1.810 40.409 38.487 0.186 0.000 1.087 583 N HN 0.139 nan 8.380 nan 0.000 0.483 584 P HA 0.225 nan 4.420 nan 0.000 0.287 584 P C -0.407 176.894 177.300 0.001 0.000 1.294 584 P CA -0.365 62.673 63.100 -0.104 0.000 0.776 584 P CB 0.374 31.994 31.700 -0.133 0.000 0.889 585 W N 0.886 121.992 121.300 -0.324 0.000 2.844 585 W HA 0.493 5.152 4.660 -0.000 0.000 0.340 585 W C -1.104 175.215 176.519 -0.333 0.000 1.093 585 W CA -1.269 55.862 57.345 -0.356 0.000 1.212 585 W CB 0.507 29.564 29.460 -0.672 0.000 1.422 585 W HN 0.089 nan 8.180 nan 0.000 0.515 586 S N 1.920 117.641 115.700 0.034 0.000 2.430 586 S HA 0.458 4.928 4.470 -0.000 0.000 0.282 586 S C 0.416 175.074 174.600 0.096 0.000 1.186 586 S CA -0.108 58.099 58.200 0.011 0.000 1.060 586 S CB 0.030 63.294 63.200 0.107 0.000 0.966 586 S HN 0.565 nan 8.310 nan 0.000 0.501 587 A N 3.393 126.113 122.820 -0.168 0.000 2.248 587 A HA 0.928 5.248 4.320 -0.000 0.000 0.316 587 A C -0.516 177.220 177.584 0.253 0.000 1.101 587 A CA -0.486 51.471 52.037 -0.134 0.000 0.875 587 A CB 0.558 19.192 19.000 -0.610 0.000 1.207 587 A HN 0.893 nan 8.150 nan 0.000 0.504 588 Y N -2.695 117.842 120.300 0.395 0.000 3.008 588 Y HA 0.633 5.183 4.550 -0.000 0.000 0.306 588 Y C 0.392 176.563 175.900 0.452 0.000 1.643 588 Y CA -1.335 57.011 58.100 0.410 0.000 1.087 588 Y CB -0.081 38.465 38.460 0.143 0.000 1.760 588 Y HN 1.112 nan 8.280 nan 0.000 0.438 589 G N 0.496 109.681 108.800 0.641 0.000 2.150 589 G HA2 0.406 4.366 3.960 -0.000 0.000 0.250 589 G HA3 0.406 4.366 3.960 -0.000 0.000 0.250 589 G C 1.046 176.280 174.900 0.557 0.000 1.179 589 G CA 0.752 46.130 45.100 0.463 0.000 0.934 589 G HN 2.103 nan 8.290 nan 0.000 0.453 590 G N 2.671 111.747 108.800 0.459 0.000 2.253 590 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.251 590 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.251 590 G C 0.878 175.980 174.900 0.337 0.000 0.998 590 G CA 0.600 45.923 45.100 0.371 0.000 0.621 590 G HN 0.666 nan 8.290 nan 0.000 0.524 591 D N -0.310 120.304 120.400 0.356 0.000 2.390 591 D HA 0.180 4.820 4.640 -0.000 0.000 0.235 591 D C 1.221 177.370 176.300 -0.251 0.000 1.040 591 D CA 0.591 54.639 54.000 0.080 0.000 0.923 591 D CB -0.236 40.554 40.800 -0.016 0.000 0.886 591 D HN 0.503 nan 8.370 nan 0.000 0.532 592 F N -1.436 118.635 119.950 0.203 0.000 2.856 592 F HA 0.269 4.796 4.527 -0.000 0.000 0.338 592 F C 1.665 177.553 175.800 0.146 0.000 1.100 592 F CA -0.089 57.998 58.000 0.145 0.000 1.150 592 F CB 0.893 39.992 39.000 0.164 0.000 1.101 592 F HN -0.049 nan 8.300 nan 0.000 0.548 593 G N 1.348 110.321 108.800 0.289 0.000 2.137 593 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.237 593 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.237 593 G C -0.305 174.736 174.900 0.235 0.000 1.002 593 G CA 0.110 45.340 45.100 0.216 0.000 0.702 593 G HN 0.405 nan 8.290 nan 0.000 0.515 594 D N 0.229 120.814 120.400 0.307 0.000 2.341 594 D HA 0.531 5.171 4.640 -0.000 0.000 0.245 594 D C -0.028 176.393 176.300 0.202 0.000 1.106 594 D CA 0.337 54.503 54.000 0.277 0.000 0.905 594 D CB 1.549 42.564 40.800 0.358 0.000 1.202 594 D HN 0.071 nan 8.370 nan 0.000 0.426 595 T N 1.043 115.688 114.554 0.152 0.000 3.012 595 T HA 0.399 4.749 4.350 -0.000 0.000 0.330 595 T C -2.539 172.199 174.700 0.065 0.000 1.321 595 T CA -0.888 61.273 62.100 0.102 0.000 1.067 595 T CB 2.026 70.952 68.868 0.097 0.000 1.235 595 T HN 0.357 nan 8.240 nan 0.000 0.479 596 P HA 0.521 nan 4.420 nan 0.000 0.279 596 P C -1.012 176.288 177.300 0.001 0.000 1.276 596 P CA -0.707 62.402 63.100 0.015 0.000 0.801 596 P CB 0.743 32.428 31.700 -0.024 0.000 1.127 597 N N -1.110 117.600 118.700 0.016 0.000 2.697 597 N HA 0.209 4.949 4.740 -0.000 0.000 0.272 597 N C -0.980 174.529 175.510 -0.002 0.000 1.381 597 N CA -0.530 52.527 53.050 0.010 0.000 0.797 597 N CB 1.365 39.947 38.487 0.158 0.000 1.523 597 N HN 0.244 nan 8.380 nan 0.000 0.518 598 D N -0.407 120.021 120.400 0.047 0.000 2.593 598 D HA 0.124 4.764 4.640 -0.000 0.000 0.241 598 D C 0.412 176.898 176.300 0.311 0.000 1.257 598 D CA -0.149 53.936 54.000 0.142 0.000 0.828 598 D CB 1.192 41.964 40.800 -0.046 0.000 1.049 598 D HN 0.624 nan 8.370 nan 0.000 0.490 599 R N 0.234 120.876 120.500 0.237 0.000 3.835 599 R HA -0.383 3.957 4.340 -0.000 0.000 0.455 599 R C 1.134 177.331 176.300 -0.172 0.000 0.241 599 R CA 1.517 57.674 56.100 0.096 0.000 1.439 599 R CB -1.417 28.858 30.300 -0.041 0.000 0.987 599 R HN 0.042 nan 8.270 nan 0.000 0.570 600 Q N 0.023 119.439 119.800 -0.640 0.000 2.226 600 Q HA -0.005 4.335 4.340 -0.000 0.000 0.204 600 Q C 1.900 177.627 176.000 -0.455 0.000 0.975 600 Q CA 1.790 57.083 55.803 -0.850 0.000 0.866 600 Q CB -0.252 27.837 28.738 -1.083 0.000 0.915 600 Q HN 0.426 nan 8.270 nan 0.000 0.440 601 F N 1.385 121.198 119.950 -0.228 0.000 2.244 601 F HA -0.299 4.228 4.527 -0.000 0.000 0.301 601 F C 2.193 177.939 175.800 -0.090 0.000 1.050 601 F CA 1.039 59.008 58.000 -0.053 0.000 1.345 601 F CB -0.770 38.275 39.000 0.075 0.000 1.070 601 F HN 0.399 nan 8.300 nan 0.000 0.519 602 C N -1.723 117.383 119.300 -0.323 0.000 2.472 602 C HA 0.157 4.617 4.460 -0.000 0.000 0.278 602 C C 1.143 175.975 174.990 -0.263 0.000 1.447 602 C CA -0.520 58.144 59.018 -0.590 0.000 1.773 602 C CB -1.829 25.086 27.740 -1.375 0.000 1.793 602 C HN 0.186 nan 8.230 nan 0.000 0.544 603 M N 2.876 122.356 119.600 -0.199 0.000 2.268 603 M HA 0.358 4.838 4.480 -0.000 0.000 0.344 603 M C 0.163 176.370 176.300 -0.155 0.000 1.106 603 M CA 0.221 55.413 55.300 -0.180 0.000 1.010 603 M CB 0.928 33.429 32.600 -0.166 0.000 1.649 603 M HN 0.315 nan 8.290 nan 0.000 0.443 604 N N 0.915 119.498 118.700 -0.196 0.000 1.872 604 N HA 0.047 4.787 4.740 -0.000 0.000 0.223 604 N C 0.315 175.632 175.510 -0.321 0.000 1.424 604 N CA -0.251 52.653 53.050 -0.243 0.000 0.710 604 N CB 0.501 38.912 38.487 -0.127 0.000 1.074 604 N HN 0.787 nan 8.380 nan 0.000 0.544 605 G N 0.939 109.513 108.800 -0.377 0.000 2.716 605 G HA2 0.329 4.289 3.960 -0.000 0.000 0.251 605 G HA3 0.329 4.289 3.960 -0.000 0.000 0.251 605 G C 0.806 175.335 174.900 -0.618 0.000 1.224 605 G CA -0.249 44.545 45.100 -0.511 0.000 0.891 605 G HN 0.099 nan 8.290 nan 0.000 0.561 606 L N -0.488 120.298 121.223 -0.729 0.000 2.616 606 L HA 0.273 4.613 4.340 -0.000 0.000 0.229 606 L C 0.453 176.641 176.870 -1.136 0.000 1.110 606 L CA 0.042 54.456 54.840 -0.711 0.000 0.884 606 L CB 0.368 42.132 42.059 -0.490 0.000 1.115 606 L HN 0.399 nan 8.230 nan 0.000 0.481 607 V N -4.531 114.568 119.914 -1.358 0.000 2.969 607 V HA 0.464 4.584 4.120 -0.000 0.000 0.304 607 V C -0.554 174.977 176.094 -0.938 0.000 1.192 607 V CA -1.106 60.478 62.300 -1.194 0.000 0.962 607 V CB 1.616 32.892 31.823 -0.911 0.000 1.045 607 V HN -0.089 nan 8.190 nan 0.000 0.428 608 F N 3.068 122.819 119.950 -0.332 0.000 2.602 608 F HA 0.482 5.009 4.527 -0.000 0.000 0.367 608 F C 1.949 177.638 175.800 -0.186 0.000 1.126 608 F CA 1.029 58.975 58.000 -0.089 0.000 1.321 608 F CB 0.804 39.815 39.000 0.017 0.000 1.094 608 F HN 0.920 nan 8.300 nan 0.000 0.594 609 A N 2.073 124.905 122.820 0.021 0.000 1.971 609 A HA -0.279 4.041 4.320 -0.000 0.000 0.222 609 A C 1.750 179.292 177.584 -0.071 0.000 1.182 609 A CA 2.092 54.091 52.037 -0.063 0.000 0.649 609 A CB -0.965 18.006 19.000 -0.048 0.000 0.818 609 A HN 0.807 nan 8.150 nan 0.000 0.458 610 D N -2.527 117.862 120.400 -0.019 0.000 2.323 610 D HA 0.115 4.755 4.640 -0.000 0.000 0.239 610 D C 0.575 176.869 176.300 -0.011 0.000 1.129 610 D CA 0.064 54.039 54.000 -0.042 0.000 0.865 610 D CB -0.313 40.470 40.800 -0.029 0.000 0.913 610 D HN 0.244 nan 8.370 nan 0.000 0.517 611 R N -1.602 118.878 120.500 -0.034 0.000 3.951 611 R HA -0.129 4.211 4.340 -0.000 0.000 0.352 611 R C -0.563 175.716 176.300 -0.034 0.000 1.178 611 R CA 1.083 57.143 56.100 -0.067 0.000 0.949 611 R CB -3.112 27.195 30.300 0.010 0.000 1.452 611 R HN 0.242 nan 8.270 nan 0.000 0.540 612 T N 2.350 116.945 114.554 0.067 0.000 2.749 612 T HA 0.370 4.720 4.350 -0.000 0.000 0.295 612 T C -2.117 172.723 174.700 0.233 0.000 0.936 612 T CA -1.200 60.984 62.100 0.140 0.000 1.060 612 T CB 1.381 70.339 68.868 0.150 0.000 0.904 612 T HN -0.027 nan 8.240 nan 0.000 0.500 613 P HA 0.082 nan 4.420 nan 0.000 0.271 613 P C -0.550 176.933 177.300 0.305 0.000 1.233 613 P CA -0.089 63.028 63.100 0.029 0.000 0.795 613 P CB 0.534 32.248 31.700 0.023 0.000 0.936 614 H N -0.817 118.186 119.070 -0.111 0.000 2.771 614 H HA 0.327 4.883 4.556 -0.000 0.000 0.367 614 H C -1.529 173.764 175.328 -0.058 0.000 1.172 614 H CA -2.220 53.775 56.048 -0.088 0.000 1.186 614 H CB 0.049 29.678 29.762 -0.222 0.000 1.790 614 H HN 0.179 nan 8.280 nan 0.000 0.556 615 P HA -0.121 nan 4.420 nan 0.000 0.216 615 P C 1.064 178.373 177.300 0.014 0.000 1.150 615 P CA 1.890 65.008 63.100 0.030 0.000 0.837 615 P CB -0.015 31.694 31.700 0.015 0.000 0.786 616 A N -0.167 122.659 122.820 0.010 0.000 2.024 616 A HA -0.183 4.137 4.320 -0.000 0.000 0.220 616 A C 2.112 179.631 177.584 -0.108 0.000 1.164 616 A CA 1.453 53.449 52.037 -0.069 0.000 0.643 616 A CB -1.638 17.302 19.000 -0.101 0.000 0.806 616 A HN 0.208 nan 8.150 nan 0.000 0.451 617 L N -0.277 120.908 121.223 -0.063 0.000 2.127 617 L HA -0.125 4.215 4.340 -0.000 0.000 0.211 617 L C 2.267 179.154 176.870 0.029 0.000 1.089 617 L CA 2.736 57.562 54.840 -0.024 0.000 0.757 617 L CB -0.901 41.132 42.059 -0.043 0.000 0.899 617 L HN 0.330 nan 8.230 nan 0.000 0.434 618 T N -1.013 113.567 114.554 0.044 0.000 2.857 618 T HA -0.148 4.202 4.350 -0.000 0.000 0.266 618 T C 1.688 176.470 174.700 0.136 0.000 1.048 618 T CA 1.308 63.489 62.100 0.136 0.000 1.139 618 T CB -0.110 68.832 68.868 0.123 0.000 0.874 618 T HN 0.381 nan 8.240 nan 0.000 0.455 619 E N 1.711 121.922 120.200 0.017 0.000 2.051 619 E HA -0.020 4.330 4.350 -0.000 0.000 0.192 619 E C 2.177 178.682 176.600 -0.158 0.000 0.991 619 E CA 1.331 57.722 56.400 -0.014 0.000 0.799 619 E CB -0.601 29.059 29.700 -0.066 0.000 0.748 619 E HN 0.400 nan 8.360 nan 0.000 0.449 620 A N 1.300 123.892 122.820 -0.379 0.000 1.837 620 A HA -0.315 4.005 4.320 -0.000 0.000 0.216 620 A C 2.224 179.622 177.584 -0.310 0.000 1.210 620 A CA 2.604 54.329 52.037 -0.519 0.000 0.632 620 A CB -1.033 17.803 19.000 -0.274 0.000 0.843 620 A HN 0.334 nan 8.150 nan 0.000 0.448 621 K N -1.192 119.118 120.400 -0.150 0.000 2.173 621 K HA -0.289 4.031 4.320 -0.000 0.000 0.207 621 K C 2.052 178.515 176.600 -0.229 0.000 1.046 621 K CA 2.143 58.365 56.287 -0.107 0.000 0.929 621 K CB -0.387 32.209 32.500 0.160 0.000 0.720 621 K HN 0.798 nan 8.250 nan 0.000 0.453 622 H N -0.476 118.406 119.070 -0.313 0.000 2.372 622 H HA -0.025 4.530 4.556 -0.000 0.000 0.301 622 H C 1.644 176.664 175.328 -0.513 0.000 1.065 622 H CA 1.221 56.888 56.048 -0.636 0.000 1.364 622 H CB 0.310 29.694 29.762 -0.630 0.000 1.406 622 H HN 0.304 nan 8.280 nan 0.000 0.521 623 Q N 0.624 120.125 119.800 -0.497 0.000 2.226 623 Q HA -0.121 4.219 4.340 -0.000 0.000 0.204 623 Q C 1.930 177.408 176.000 -0.870 0.000 0.975 623 Q CA 1.149 56.626 55.803 -0.543 0.000 0.866 623 Q CB -0.092 28.559 28.738 -0.144 0.000 0.915 623 Q HN 0.692 nan 8.270 nan 0.000 0.440 624 Q N 0.673 119.918 119.800 -0.925 0.000 2.392 624 Q HA 0.010 4.349 4.340 -0.000 0.000 0.203 624 Q C 0.100 175.474 176.000 -1.043 0.000 0.917 624 Q CA -0.247 54.860 55.803 -1.160 0.000 0.939 624 Q CB 0.261 28.354 28.738 -1.075 0.000 1.063 624 Q HN 0.442 nan 8.270 nan 0.000 0.516 625 Q N -0.241 119.090 119.800 -0.782 0.000 2.326 625 Q HA -0.102 4.238 4.340 -0.000 0.000 0.314 625 Q C -0.346 175.196 176.000 -0.764 0.000 1.091 625 Q CA 0.334 55.766 55.803 -0.619 0.000 0.974 625 Q CB 0.266 28.797 28.738 -0.345 0.000 1.220 625 Q HN 0.177 nan 8.270 nan 0.000 0.398 626 F N 0.451 120.096 119.950 -0.509 0.000 2.558 626 F HA 0.150 4.677 4.527 -0.000 0.000 0.298 626 F C 0.190 175.395 175.800 -0.992 0.000 1.119 626 F CA 0.177 57.648 58.000 -0.881 0.000 1.451 626 F CB 0.151 38.262 39.000 -1.483 0.000 1.091 626 F HN 0.376 nan 8.300 nan 0.000 0.563 627 F N 0.326 120.193 119.950 -0.138 0.000 2.425 627 F HA 0.490 5.017 4.527 -0.000 0.000 0.331 627 F C 0.101 175.556 175.800 -0.576 0.000 1.085 627 F CA -1.062 56.745 58.000 -0.321 0.000 1.028 627 F CB 0.894 39.741 39.000 -0.256 0.000 1.177 627 F HN -0.272 nan 8.300 nan 0.000 0.487 628 Q N 2.960 122.428 119.800 -0.554 0.000 2.323 628 Q HA 0.456 4.796 4.340 -0.000 0.000 0.271 628 Q C -1.585 174.085 176.000 -0.549 0.000 1.048 628 Q CA -0.596 54.931 55.803 -0.459 0.000 0.792 628 Q CB 2.935 31.567 28.738 -0.177 0.000 1.280 628 Q HN 0.517 nan 8.270 nan 0.000 0.441 629 F N 0.591 120.670 119.950 0.215 0.000 2.508 629 F HA 0.591 5.118 4.527 -0.000 0.000 0.325 629 F C 0.493 176.520 175.800 0.380 0.000 1.090 629 F CA -0.822 57.381 58.000 0.338 0.000 0.945 629 F CB 1.864 41.191 39.000 0.544 0.000 1.156 629 F HN 0.107 nan 8.300 nan 0.000 0.463 630 R N 2.037 122.815 120.500 0.464 0.000 2.621 630 R HA 0.641 4.981 4.340 -0.000 0.000 0.292 630 R C -1.877 174.508 176.300 0.140 0.000 0.969 630 R CA -1.201 55.087 56.100 0.313 0.000 0.887 630 R CB 2.527 32.923 30.300 0.160 0.000 1.180 630 R HN 0.675 nan 8.270 nan 0.000 0.450 631 L N 1.892 123.094 121.223 -0.036 0.000 2.318 631 L HA 0.376 4.716 4.340 -0.000 0.000 0.277 631 L C -0.927 175.815 176.870 -0.213 0.000 1.008 631 L CA 0.242 54.848 54.840 -0.390 0.000 0.846 631 L CB 1.803 43.168 42.059 -1.156 0.000 1.220 631 L HN 0.411 nan 8.230 nan 0.000 0.423 632 S N 4.098 119.704 115.700 -0.156 0.000 2.516 632 S HA 0.698 5.168 4.470 -0.000 0.000 0.268 632 S C 0.535 175.067 174.600 -0.114 0.000 1.251 632 S CA 0.282 58.421 58.200 -0.101 0.000 1.153 632 S CB -0.118 63.051 63.200 -0.052 0.000 1.009 632 S HN 1.335 nan 8.310 nan 0.000 0.479 633 G N 4.346 113.072 108.800 -0.124 0.000 2.536 633 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.280 633 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.280 633 G C 0.431 175.238 174.900 -0.154 0.000 1.152 633 G CA 0.590 45.620 45.100 -0.117 0.000 0.970 633 G HN 0.612 nan 8.290 nan 0.000 0.549 634 Q N 0.683 120.400 119.800 -0.139 0.000 2.403 634 Q HA 0.290 4.630 4.340 -0.000 0.000 0.203 634 Q C 0.682 176.563 176.000 -0.198 0.000 0.932 634 Q CA 1.048 56.747 55.803 -0.173 0.000 0.945 634 Q CB 0.477 29.127 28.738 -0.146 0.000 1.045 634 Q HN 0.452 nan 8.270 nan 0.000 0.511 635 T N 0.748 115.204 114.554 -0.163 0.000 2.767 635 T HA 0.447 4.797 4.350 -0.000 0.000 0.284 635 T C -0.168 174.440 174.700 -0.154 0.000 0.973 635 T CA -0.415 61.600 62.100 -0.141 0.000 0.996 635 T CB 0.966 69.782 68.868 -0.087 0.000 0.927 635 T HN 0.061 nan 8.240 nan 0.000 0.456 636 I N 2.989 123.482 120.570 -0.129 0.000 2.331 636 I HA 0.247 4.417 4.170 -0.000 0.000 0.292 636 I C 0.645 176.787 176.117 0.043 0.000 0.998 636 I CA -0.423 60.836 61.300 -0.068 0.000 1.267 636 I CB 1.129 39.113 38.000 -0.027 0.000 1.386 636 I HN 0.621 nan 8.210 nan 0.000 0.476 637 E N 7.618 127.877 120.200 0.099 0.000 2.070 637 E HA 0.310 4.660 4.350 -0.000 0.000 0.261 637 E C -1.382 175.291 176.600 0.121 0.000 0.926 637 E CA -0.601 55.858 56.400 0.098 0.000 0.760 637 E CB 1.069 30.808 29.700 0.065 0.000 1.133 637 E HN 0.361 nan 8.360 nan 0.000 0.420 638 V N 3.826 123.800 119.914 0.100 0.000 2.530 638 V HA 0.254 4.374 4.120 -0.000 0.000 0.282 638 V C 0.328 176.423 176.094 0.002 0.000 1.048 638 V CA -0.206 62.097 62.300 0.005 0.000 0.997 638 V CB 1.340 33.184 31.823 0.036 0.000 0.987 638 V HN 0.651 nan 8.190 nan 0.000 0.477 639 T N 3.479 118.002 114.554 -0.051 0.000 2.841 639 T HA 0.326 4.676 4.350 -0.000 0.000 0.285 639 T C -0.195 174.492 174.700 -0.023 0.000 0.991 639 T CA -0.240 61.847 62.100 -0.021 0.000 0.966 639 T CB 1.623 70.464 68.868 -0.046 0.000 0.962 639 T HN 0.734 nan 8.240 nan 0.000 0.438 640 S N 1.685 117.389 115.700 0.007 0.000 2.562 640 S HA 0.283 4.753 4.470 -0.000 0.000 0.275 640 S C 0.703 175.205 174.600 -0.164 0.000 1.281 640 S CA -0.437 57.722 58.200 -0.067 0.000 1.045 640 S CB 0.616 63.851 63.200 0.059 0.000 0.962 640 S HN 0.743 nan 8.310 nan 0.000 0.503 641 E N 2.262 122.272 120.200 -0.318 0.000 2.583 641 E HA 0.105 4.455 4.350 -0.000 0.000 0.213 641 E C -0.964 175.475 176.600 -0.268 0.000 0.989 641 E CA -0.094 56.151 56.400 -0.259 0.000 0.991 641 E CB 0.431 29.968 29.700 -0.271 0.000 1.040 641 E HN 0.624 nan 8.360 nan 0.000 0.481 642 Y N 0.645 120.833 120.300 -0.185 0.000 2.336 642 Y HA 0.063 4.613 4.550 -0.000 0.000 0.331 642 Y C 1.421 177.137 175.900 -0.306 0.000 1.211 642 Y CA 0.217 58.157 58.100 -0.266 0.000 1.346 642 Y CB 0.736 39.025 38.460 -0.284 0.000 1.271 642 Y HN -0.049 nan 8.280 nan 0.000 0.538 643 L N 1.044 122.063 121.223 -0.340 0.000 2.253 643 L HA -0.014 4.326 4.340 -0.000 0.000 0.205 643 L C 0.820 177.143 176.870 -0.912 0.000 1.078 643 L CA 0.831 55.180 54.840 -0.817 0.000 0.805 643 L CB -0.087 41.072 42.059 -1.500 0.000 0.963 643 L HN 0.569 nan 8.230 nan 0.000 0.459 644 F N -0.459 119.497 119.950 0.010 0.000 2.549 644 F HA 0.194 4.721 4.527 -0.000 0.000 0.275 644 F C 1.470 177.248 175.800 -0.036 0.000 0.990 644 F CA -0.774 57.208 58.000 -0.030 0.000 1.274 644 F CB -0.379 38.580 39.000 -0.067 0.000 1.064 644 F HN -0.137 nan 8.300 nan 0.000 0.715 645 R N 0.794 121.313 120.500 0.032 0.000 2.637 645 R HA 0.320 4.660 4.340 -0.000 0.000 0.269 645 R C -1.011 175.273 176.300 -0.026 0.000 1.089 645 R CA -0.469 55.596 56.100 -0.059 0.000 1.177 645 R CB 0.344 30.509 30.300 -0.225 0.000 1.091 645 R HN 0.247 nan 8.270 nan 0.000 0.540 646 H N 0.466 119.495 119.070 -0.069 0.000 2.481 646 H HA 0.173 4.729 4.556 -0.000 0.000 0.333 646 H C -0.591 174.743 175.328 0.009 0.000 1.066 646 H CA -0.445 55.602 56.048 -0.001 0.000 1.209 646 H CB 1.312 31.085 29.762 0.018 0.000 1.445 646 H HN 0.811 nan 8.280 nan 0.000 0.488 647 S N 3.710 119.238 115.700 -0.286 0.000 3.184 647 S HA -0.096 4.374 4.470 -0.000 0.000 0.376 647 S C -0.060 174.582 174.600 0.070 0.000 1.163 647 S CA 0.285 58.461 58.200 -0.040 0.000 1.314 647 S CB -0.357 62.817 63.200 -0.043 0.000 0.962 647 S HN 0.802 nan 8.310 nan 0.000 0.543 648 D N 0.376 120.840 120.400 0.107 0.000 2.651 648 D HA 0.139 4.779 4.640 -0.000 0.000 0.280 648 D C -0.068 176.273 176.300 0.069 0.000 1.496 648 D CA -0.511 53.566 54.000 0.129 0.000 0.792 648 D CB -0.430 40.466 40.800 0.160 0.000 1.144 648 D HN 0.476 nan 8.370 nan 0.000 0.470 649 N N 0.247 118.985 118.700 0.063 0.000 2.527 649 N HA 0.133 4.873 4.740 -0.000 0.000 0.279 649 N C -1.378 174.173 175.510 0.068 0.000 1.571 649 N CA 0.023 53.104 53.050 0.051 0.000 0.858 649 N CB 0.526 39.036 38.487 0.038 0.000 1.422 649 N HN -0.044 nan 8.380 nan 0.000 0.491 650 E N 0.070 120.298 120.200 0.047 0.000 2.256 650 E HA 0.487 4.837 4.350 -0.000 0.000 0.268 650 E C -1.430 175.149 176.600 -0.034 0.000 0.877 650 E CA -0.572 55.835 56.400 0.011 0.000 0.757 650 E CB 2.104 31.767 29.700 -0.062 0.000 1.183 650 E HN 0.026 nan 8.360 nan 0.000 0.418 651 L N 2.837 124.019 121.223 -0.068 0.000 2.365 651 L HA 0.523 4.863 4.340 -0.000 0.000 0.273 651 L C -1.541 175.221 176.870 -0.180 0.000 1.000 651 L CA -0.999 53.775 54.840 -0.109 0.000 0.819 651 L CB 1.667 43.650 42.059 -0.126 0.000 1.284 651 L HN 0.515 nan 8.230 nan 0.000 0.418 652 L N 4.856 126.044 121.223 -0.058 0.000 2.265 652 L HA 0.434 4.774 4.340 -0.000 0.000 0.289 652 L C -0.765 176.211 176.870 0.177 0.000 1.033 652 L CA 0.082 54.949 54.840 0.045 0.000 0.814 652 L CB 0.516 42.669 42.059 0.157 0.000 1.203 652 L HN 0.591 nan 8.230 nan 0.000 0.423 653 H N 5.683 124.820 119.070 0.112 0.000 2.539 653 H HA 0.441 4.997 4.556 -0.000 0.000 0.332 653 H C -0.992 174.388 175.328 0.087 0.000 1.031 653 H CA -0.799 55.256 56.048 0.012 0.000 1.206 653 H CB 0.987 30.719 29.762 -0.051 0.000 1.446 653 H HN 0.687 nan 8.280 nan 0.000 0.496 654 W N 3.906 125.319 121.300 0.189 0.000 2.736 654 W HA 0.714 5.374 4.660 -0.000 0.000 0.355 654 W C -1.648 174.930 176.519 0.099 0.000 1.102 654 W CA -1.328 56.101 57.345 0.140 0.000 1.164 654 W CB 1.769 31.299 29.460 0.116 0.000 1.422 654 W HN 0.438 nan 8.180 nan 0.000 0.572 655 M N 2.306 122.139 119.600 0.389 0.000 2.449 655 M HA 0.370 4.850 4.480 -0.000 0.000 0.291 655 M C -2.341 174.182 176.300 0.371 0.000 1.148 655 M CA -0.419 54.997 55.300 0.192 0.000 0.925 655 M CB 2.302 34.887 32.600 -0.026 0.000 1.767 655 M HN 0.270 nan 8.290 nan 0.000 0.503 656 V N 2.862 122.978 119.914 0.337 0.000 2.581 656 V HA 0.994 5.114 4.120 -0.000 0.000 0.303 656 V C -0.446 175.752 176.094 0.174 0.000 1.041 656 V CA -0.393 62.078 62.300 0.284 0.000 0.907 656 V CB 1.635 33.628 31.823 0.284 0.000 0.994 656 V HN 0.911 nan 8.190 nan 0.000 0.442 657 A N 4.352 127.282 122.820 0.184 0.000 2.517 657 A HA 0.723 5.043 4.320 -0.000 0.000 0.297 657 A C -1.705 175.981 177.584 0.170 0.000 1.050 657 A CA -0.488 51.618 52.037 0.116 0.000 0.694 657 A CB 1.529 20.547 19.000 0.030 0.000 1.277 657 A HN 0.652 nan 8.150 nan 0.000 0.400 658 L N 1.951 123.243 121.223 0.114 0.000 2.276 658 L HA 0.445 4.785 4.340 -0.000 0.000 0.286 658 L C 0.142 177.077 176.870 0.110 0.000 1.061 658 L CA 0.454 55.377 54.840 0.139 0.000 0.807 658 L CB 0.150 42.267 42.059 0.096 0.000 1.177 658 L HN 0.853 nan 8.230 nan 0.000 0.429 659 D N 4.529 125.046 120.400 0.194 0.000 2.909 659 D HA -0.240 4.400 4.640 -0.000 0.000 0.224 659 D C 1.165 177.423 176.300 -0.069 0.000 1.171 659 D CA 1.432 55.517 54.000 0.142 0.000 0.702 659 D CB -0.723 40.169 40.800 0.154 0.000 1.064 659 D HN 1.070 nan 8.370 nan 0.000 0.416 660 G N -0.584 108.131 108.800 -0.141 0.000 2.905 660 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.196 660 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.196 660 G C 0.325 175.113 174.900 -0.186 0.000 1.044 660 G CA 0.049 44.982 45.100 -0.280 0.000 0.778 660 G HN 0.451 nan 8.290 nan 0.000 0.474 661 K N 3.353 123.695 120.400 -0.096 0.000 2.361 661 K HA 0.373 4.693 4.320 -0.000 0.000 0.283 661 K C -2.268 174.312 176.600 -0.034 0.000 1.078 661 K CA -0.994 55.258 56.287 -0.059 0.000 1.041 661 K CB 0.506 32.995 32.500 -0.019 0.000 0.932 661 K HN 0.134 nan 8.250 nan 0.000 0.462 662 P HA -0.006 nan 4.420 nan 0.000 0.276 662 P C -0.137 177.157 177.300 -0.011 0.000 1.253 662 P CA 0.099 63.175 63.100 -0.039 0.000 0.766 662 P CB 0.818 32.468 31.700 -0.082 0.000 0.845 663 L N 1.721 122.961 121.223 0.029 0.000 2.470 663 L HA 0.442 4.782 4.340 -0.000 0.000 0.219 663 L C 0.884 177.788 176.870 0.058 0.000 1.071 663 L CA 0.364 55.231 54.840 0.045 0.000 0.850 663 L CB 0.058 42.160 42.059 0.071 0.000 1.040 663 L HN 0.336 nan 8.230 nan 0.000 0.475 664 A N -0.212 122.656 122.820 0.079 0.000 2.512 664 A HA 0.637 4.957 4.320 -0.000 0.000 0.294 664 A C -0.666 176.843 177.584 -0.125 0.000 1.054 664 A CA -0.304 51.791 52.037 0.097 0.000 0.756 664 A CB 1.318 20.503 19.000 0.308 0.000 1.293 664 A HN -0.005 nan 8.150 nan 0.000 0.395 665 S N 0.022 115.458 115.700 -0.440 0.000 2.704 665 S HA 0.986 5.456 4.470 -0.000 0.000 0.305 665 S C 0.149 173.861 174.600 -1.480 0.000 1.107 665 S CA -0.200 57.445 58.200 -0.925 0.000 0.993 665 S CB 1.964 64.861 63.200 -0.506 0.000 1.110 665 S HN 2.019 nan 8.310 nan 0.000 0.534 666 G N 0.492 108.271 108.800 -1.700 0.000 2.596 666 G HA2 0.499 4.459 3.960 -0.000 0.000 0.296 666 G HA3 0.499 4.459 3.960 -0.000 0.000 0.296 666 G C -2.261 172.320 174.900 -0.532 0.000 1.513 666 G CA -0.796 43.673 45.100 -1.052 0.000 0.851 666 G HN 0.544 nan 8.290 nan 0.000 0.548 667 E N 0.119 120.314 120.200 -0.008 0.000 2.210 667 E HA 0.626 4.976 4.350 -0.000 0.000 0.266 667 E C -0.931 175.828 176.600 0.264 0.000 0.883 667 E CA -1.019 55.525 56.400 0.240 0.000 0.761 667 E CB 3.045 32.885 29.700 0.233 0.000 1.156 667 E HN 0.358 nan 8.360 nan 0.000 0.412 668 V N 1.932 122.009 119.914 0.271 0.000 2.760 668 V HA 0.370 4.490 4.120 -0.000 0.000 0.309 668 V C -2.571 173.600 176.094 0.128 0.000 1.077 668 V CA -2.499 59.920 62.300 0.197 0.000 0.910 668 V CB 1.860 33.807 31.823 0.205 0.000 1.008 668 V HN 0.550 nan 8.190 nan 0.000 0.424 669 P HA 0.319 nan 4.420 nan 0.000 0.271 669 P C -0.705 176.624 177.300 0.049 0.000 1.216 669 P CA -0.021 63.118 63.100 0.065 0.000 0.771 669 P CB 0.640 32.382 31.700 0.070 0.000 0.864 670 L N 3.311 124.540 121.223 0.010 0.000 2.275 670 L HA 0.332 4.672 4.340 -0.000 0.000 0.288 670 L C 0.280 177.153 176.870 0.005 0.000 1.046 670 L CA 0.082 54.903 54.840 -0.031 0.000 0.805 670 L CB 0.953 42.913 42.059 -0.166 0.000 1.193 670 L HN 0.313 nan 8.230 nan 0.000 0.426 671 D N 3.141 123.556 120.400 0.026 0.000 2.513 671 D HA 0.349 4.989 4.640 -0.000 0.000 0.295 671 D C -1.051 175.237 176.300 -0.021 0.000 1.202 671 D CA -0.181 53.893 54.000 0.123 0.000 0.849 671 D CB 0.838 41.780 40.800 0.238 0.000 1.116 671 D HN 0.116 nan 8.370 nan 0.000 0.502 672 V N -0.262 119.415 119.914 -0.395 0.000 2.715 672 V HA 0.980 5.099 4.120 -0.000 0.000 0.310 672 V C 0.275 176.048 176.094 -0.534 0.000 1.054 672 V CA -1.310 60.840 62.300 -0.250 0.000 0.928 672 V CB 1.555 33.383 31.823 0.008 0.000 1.007 672 V HN 0.343 nan 8.190 nan 0.000 0.437 673 A N 3.718 126.516 122.820 -0.037 0.000 2.312 673 A HA 0.928 5.248 4.320 -0.000 0.000 0.328 673 A C -2.621 175.007 177.584 0.074 0.000 1.158 673 A CA -2.154 49.976 52.037 0.156 0.000 0.821 673 A CB 0.570 19.720 19.000 0.251 0.000 1.170 673 A HN 0.768 nan 8.150 nan 0.000 0.490 674 P HA -0.091 nan 4.420 nan 0.000 0.261 674 P C -0.420 176.880 177.300 0.000 0.000 1.158 674 P CA 0.916 64.028 63.100 0.021 0.000 0.758 674 P CB 0.039 31.718 31.700 -0.035 0.000 0.763 675 Q N -1.141 118.644 119.800 -0.025 0.000 2.480 675 Q HA -0.200 4.139 4.340 -0.000 0.000 0.265 675 Q C 0.731 176.729 176.000 -0.003 0.000 1.072 675 Q CA 1.255 57.038 55.803 -0.034 0.000 1.018 675 Q CB -2.425 26.284 28.738 -0.048 0.000 1.433 675 Q HN 0.754 nan 8.270 nan 0.000 0.513 676 G N 0.444 109.256 108.800 0.020 0.000 2.671 676 G HA2 0.625 4.585 3.960 -0.000 0.000 0.275 676 G HA3 0.625 4.585 3.960 -0.000 0.000 0.275 676 G C -0.665 174.255 174.900 0.034 0.000 1.368 676 G CA -0.699 44.421 45.100 0.034 0.000 1.044 676 G HN 0.007 nan 8.290 nan 0.000 0.543 677 K N 0.176 120.600 120.400 0.040 0.000 2.578 677 K HA 0.254 4.574 4.320 -0.000 0.000 0.250 677 K C -0.727 175.900 176.600 0.046 0.000 0.955 677 K CA -0.345 55.965 56.287 0.038 0.000 0.825 677 K CB 2.375 34.892 32.500 0.029 0.000 1.151 677 K HN 0.535 nan 8.250 nan 0.000 0.432 678 Q N 2.935 122.765 119.800 0.050 0.000 2.221 678 Q HA 0.464 4.804 4.340 -0.000 0.000 0.242 678 Q C -1.055 174.974 176.000 0.049 0.000 0.940 678 Q CA -0.588 55.246 55.803 0.051 0.000 0.896 678 Q CB 0.960 29.728 28.738 0.051 0.000 1.226 678 Q HN 0.475 nan 8.270 nan 0.000 0.463 679 L N 4.656 125.904 121.223 0.042 0.000 2.415 679 L HA 0.457 4.797 4.340 -0.000 0.000 0.268 679 L C -0.991 175.892 176.870 0.021 0.000 0.984 679 L CA -0.477 54.380 54.840 0.029 0.000 0.853 679 L CB 1.320 43.390 42.059 0.017 0.000 1.215 679 L HN 0.652 nan 8.230 nan 0.000 0.419 680 I N 3.054 123.634 120.570 0.017 0.000 2.321 680 I HA 0.265 4.435 4.170 -0.000 0.000 0.291 680 I C 0.296 176.377 176.117 -0.060 0.000 0.998 680 I CA -0.431 60.866 61.300 -0.005 0.000 1.227 680 I CB 1.789 39.801 38.000 0.019 0.000 1.368 680 I HN 0.531 nan 8.210 nan 0.000 0.466 681 E N 6.591 126.752 120.200 -0.065 0.000 2.216 681 E HA 0.464 4.814 4.350 -0.000 0.000 0.279 681 E C -1.004 175.505 176.600 -0.151 0.000 0.997 681 E CA -0.754 55.588 56.400 -0.097 0.000 0.817 681 E CB 2.384 32.046 29.700 -0.063 0.000 1.096 681 E HN 0.437 nan 8.360 nan 0.000 0.393 682 L N 5.461 126.554 121.223 -0.217 0.000 2.272 682 L HA 0.321 4.661 4.340 -0.000 0.000 0.289 682 L C -2.012 174.716 176.870 -0.237 0.000 1.032 682 L CA -2.099 52.540 54.840 -0.334 0.000 0.810 682 L CB 1.075 42.851 42.059 -0.472 0.000 1.205 682 L HN 0.297 nan 8.230 nan 0.000 0.422 683 P HA -0.132 nan 4.420 nan 0.000 0.267 683 P C -0.352 176.891 177.300 -0.096 0.000 1.175 683 P CA 0.039 63.084 63.100 -0.091 0.000 0.763 683 P CB 0.477 32.167 31.700 -0.016 0.000 0.795 684 E N 0.618 120.789 120.200 -0.048 0.000 2.502 684 E HA 0.046 4.396 4.350 -0.000 0.000 0.261 684 E C -0.355 176.227 176.600 -0.029 0.000 0.974 684 E CA 0.460 56.835 56.400 -0.041 0.000 0.936 684 E CB -0.053 29.634 29.700 -0.021 0.000 0.926 684 E HN 0.230 nan 8.360 nan 0.000 0.459 685 L N 5.816 127.018 121.223 -0.035 0.000 2.334 685 L HA 0.460 4.800 4.340 -0.000 0.000 0.275 685 L C -1.999 174.880 176.870 0.015 0.000 1.036 685 L CA -2.071 52.765 54.840 -0.006 0.000 0.807 685 L CB 0.658 42.703 42.059 -0.022 0.000 1.231 685 L HN 0.486 nan 8.230 nan 0.000 0.438 686 P HA 0.111 nan 4.420 nan 0.000 0.268 686 P C -1.213 176.107 177.300 0.034 0.000 1.204 686 P CA -0.247 62.878 63.100 0.041 0.000 0.768 686 P CB 0.379 32.114 31.700 0.059 0.000 0.842 687 Q N 2.373 122.188 119.800 0.025 0.000 2.773 687 Q HA 0.278 4.618 4.340 -0.000 0.000 0.373 687 Q C -2.116 173.898 176.000 0.023 0.000 0.940 687 Q CA -1.682 54.133 55.803 0.020 0.000 1.015 687 Q CB 0.048 28.791 28.738 0.008 0.000 1.349 687 Q HN 0.424 nan 8.270 nan 0.000 0.413 688 P HA -0.151 nan 4.420 nan 0.000 0.266 688 P C 0.399 177.716 177.300 0.029 0.000 1.180 688 P CA 0.460 63.579 63.100 0.033 0.000 0.765 688 P CB 0.882 32.608 31.700 0.043 0.000 0.806 689 E N 0.026 120.242 120.200 0.026 0.000 2.166 689 E HA 0.007 4.357 4.350 -0.000 0.000 0.192 689 E C 0.254 176.872 176.600 0.030 0.000 0.967 689 E CA 0.201 56.615 56.400 0.024 0.000 0.840 689 E CB -0.394 29.318 29.700 0.020 0.000 0.795 689 E HN 0.444 nan 8.360 nan 0.000 0.470 690 S N 1.998 117.718 115.700 0.032 0.000 2.574 690 S HA 0.099 4.569 4.470 -0.000 0.000 0.302 690 S C 0.419 175.046 174.600 0.046 0.000 1.270 690 S CA 0.152 58.375 58.200 0.037 0.000 1.040 690 S CB 0.357 63.580 63.200 0.038 0.000 0.767 690 S HN 0.404 nan 8.310 nan 0.000 0.494 691 A N 2.068 124.917 122.820 0.049 0.000 2.366 691 A HA 0.747 5.067 4.320 -0.000 0.000 0.249 691 A C 0.929 178.559 177.584 0.076 0.000 1.084 691 A CA 0.248 52.319 52.037 0.058 0.000 0.794 691 A CB -0.136 18.898 19.000 0.058 0.000 1.034 691 A HN 1.907 nan 8.150 nan 0.000 0.491 692 G N -0.603 108.250 108.800 0.088 0.000 2.361 692 G HA2 0.357 4.317 3.960 -0.000 0.000 0.305 692 G HA3 0.357 4.317 3.960 -0.000 0.000 0.305 692 G C -1.346 173.633 174.900 0.133 0.000 1.367 692 G CA -0.892 44.285 45.100 0.127 0.000 0.951 692 G HN 0.833 nan 8.290 nan 0.000 0.615 693 Q N -0.331 119.601 119.800 0.219 0.000 2.340 693 Q HA 0.538 4.878 4.340 -0.000 0.000 0.259 693 Q C -0.567 175.594 176.000 0.269 0.000 0.964 693 Q CA -0.786 55.141 55.803 0.206 0.000 0.900 693 Q CB 1.970 30.956 28.738 0.413 0.000 1.228 693 Q HN 0.439 nan 8.270 nan 0.000 0.449 694 L N 4.091 125.343 121.223 0.049 0.000 2.281 694 L HA 0.377 4.717 4.340 -0.000 0.000 0.285 694 L C -1.585 175.294 176.870 0.014 0.000 1.074 694 L CA 0.084 54.986 54.840 0.104 0.000 0.817 694 L CB 0.227 42.319 42.059 0.055 0.000 1.168 694 L HN 0.582 nan 8.230 nan 0.000 0.434 695 W N 5.978 127.378 121.300 0.167 0.000 2.683 695 W HA 0.501 5.161 4.660 -0.000 0.000 0.329 695 W C -0.846 175.807 176.519 0.223 0.000 1.037 695 W CA -0.728 56.744 57.345 0.212 0.000 1.232 695 W CB 1.534 31.151 29.460 0.262 0.000 1.390 695 W HN 0.246 nan 8.180 nan 0.000 0.465 696 L N 3.738 125.265 121.223 0.506 0.000 2.289 696 L HA 0.768 5.108 4.340 -0.000 0.000 0.285 696 L C -0.251 176.990 176.870 0.618 0.000 1.049 696 L CA 0.295 55.425 54.840 0.484 0.000 0.804 696 L CB 1.202 43.460 42.059 0.332 0.000 1.195 696 L HN 0.329 nan 8.230 nan 0.000 0.428 697 T N 4.885 119.733 114.554 0.490 0.000 2.916 697 T HA 0.687 5.037 4.350 -0.000 0.000 0.298 697 T C -1.071 173.849 174.700 0.368 0.000 1.031 697 T CA -0.401 61.931 62.100 0.386 0.000 0.993 697 T CB 1.596 70.607 68.868 0.239 0.000 1.045 697 T HN 0.592 nan 8.240 nan 0.000 0.454 698 V N 1.747 121.842 119.914 0.302 0.000 2.823 698 V HA 0.898 5.018 4.120 -0.000 0.000 0.312 698 V C -0.993 175.177 176.094 0.127 0.000 1.072 698 V CA -1.239 61.199 62.300 0.230 0.000 0.937 698 V CB 2.033 33.963 31.823 0.178 0.000 1.013 698 V HN 0.835 nan 8.190 nan 0.000 0.430 699 R N 2.033 122.623 120.500 0.150 0.000 2.604 699 R HA 0.771 5.111 4.340 -0.000 0.000 0.281 699 R C -1.556 174.813 176.300 0.115 0.000 1.020 699 R CA -0.655 55.548 56.100 0.171 0.000 0.899 699 R CB 2.574 32.964 30.300 0.150 0.000 1.205 699 R HN 0.652 nan 8.270 nan 0.000 0.450 700 V N 3.359 123.390 119.914 0.195 0.000 2.439 700 V HA 0.517 4.636 4.120 -0.000 0.000 0.282 700 V C -0.267 175.901 176.094 0.123 0.000 1.039 700 V CA -0.530 61.852 62.300 0.137 0.000 0.913 700 V CB 1.608 33.556 31.823 0.209 0.000 0.983 700 V HN 0.478 nan 8.190 nan 0.000 0.460 701 V N 4.376 124.293 119.914 0.004 0.000 2.876 701 V HA 0.463 4.583 4.120 -0.000 0.000 0.312 701 V C -0.695 175.424 176.094 0.041 0.000 1.085 701 V CA -0.893 61.417 62.300 0.017 0.000 0.945 701 V CB 2.182 33.932 31.823 -0.121 0.000 1.017 701 V HN 0.874 nan 8.190 nan 0.000 0.428 702 Q N 3.567 123.429 119.800 0.103 0.000 2.431 702 Q HA 0.311 4.651 4.340 -0.000 0.000 0.249 702 Q C -1.939 174.086 176.000 0.042 0.000 1.025 702 Q CA -1.796 54.054 55.803 0.079 0.000 0.835 702 Q CB 2.053 30.843 28.738 0.087 0.000 1.207 702 Q HN 0.451 nan 8.270 nan 0.000 0.490 703 P HA -0.257 nan 4.420 nan 0.000 0.216 703 P C -0.506 176.801 177.300 0.011 0.000 1.167 703 P CA 1.590 64.705 63.100 0.025 0.000 0.914 703 P CB 0.179 31.895 31.700 0.026 0.000 0.793 704 N N -0.994 117.703 118.700 -0.005 0.000 2.489 704 N HA 0.464 5.204 4.740 -0.000 0.000 0.284 704 N C -0.398 175.067 175.510 -0.076 0.000 1.158 704 N CA -0.820 52.212 53.050 -0.029 0.000 0.965 704 N CB 0.292 38.765 38.487 -0.024 0.000 1.195 704 N HN 0.062 nan 8.380 nan 0.000 0.506 705 A N -0.049 122.715 122.820 -0.092 0.000 2.327 705 A HA 0.596 4.916 4.320 -0.000 0.000 0.255 705 A C 0.499 177.941 177.584 -0.236 0.000 1.099 705 A CA -0.085 51.855 52.037 -0.163 0.000 0.801 705 A CB -0.212 18.722 19.000 -0.110 0.000 1.062 705 A HN 0.854 nan 8.150 nan 0.000 0.496 706 T N -3.668 110.639 114.554 -0.411 0.000 2.831 706 T HA 0.617 4.967 4.350 -0.000 0.000 0.287 706 T C 0.838 175.306 174.700 -0.387 0.000 1.070 706 T CA 0.019 61.811 62.100 -0.513 0.000 1.010 706 T CB 1.211 69.379 68.868 -1.168 0.000 1.264 706 T HN 1.393 nan 8.240 nan 0.000 0.532 707 A N -0.037 122.683 122.820 -0.166 0.000 2.121 707 A HA 0.097 4.417 4.320 -0.000 0.000 0.218 707 A C 1.684 179.369 177.584 0.168 0.000 1.154 707 A CA 1.134 53.239 52.037 0.113 0.000 0.679 707 A CB -0.912 18.291 19.000 0.339 0.000 0.795 707 A HN 0.920 nan 8.150 nan 0.000 0.458 708 W N -1.001 120.331 121.300 0.054 0.000 2.865 708 W HA 0.341 5.001 4.660 -0.000 0.000 0.300 708 W C -0.008 176.478 176.519 -0.056 0.000 1.096 708 W CA 0.586 57.916 57.345 -0.025 0.000 1.524 708 W CB -0.885 28.538 29.460 -0.062 0.000 0.991 708 W HN 0.377 nan 8.180 nan 0.000 0.571 709 S N 0.929 116.101 115.700 -0.880 0.000 2.526 709 S HA 0.452 4.922 4.470 -0.000 0.000 0.293 709 S C -0.566 173.804 174.600 -0.384 0.000 1.092 709 S CA -0.639 57.171 58.200 -0.651 0.000 0.980 709 S CB 2.662 65.182 63.200 -1.132 0.000 1.048 709 S HN 0.117 nan 8.310 nan 0.000 0.483 710 E N 1.085 121.202 120.200 -0.138 0.000 2.369 710 E HA 0.504 4.854 4.350 -0.000 0.000 0.255 710 E C 0.336 176.916 176.600 -0.033 0.000 1.172 710 E CA -0.692 55.675 56.400 -0.055 0.000 0.932 710 E CB 0.512 30.223 29.700 0.018 0.000 1.040 710 E HN 0.869 nan 8.360 nan 0.000 0.454 711 A N 0.521 123.331 122.820 -0.016 0.000 2.462 711 A HA 0.401 4.720 4.320 -0.000 0.000 0.243 711 A C 1.156 178.763 177.584 0.038 0.000 1.076 711 A CA 0.542 52.581 52.037 0.002 0.000 0.773 711 A CB -0.494 18.507 19.000 0.002 0.000 1.010 711 A HN 0.809 nan 8.150 nan 0.000 0.493 712 G N 0.399 109.230 108.800 0.051 0.000 2.159 712 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.256 712 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.256 712 G C 0.393 175.344 174.900 0.086 0.000 0.977 712 G CA 0.482 45.621 45.100 0.065 0.000 0.652 712 G HN 1.441 nan 8.290 nan 0.000 0.531 713 H N 0.541 119.622 119.070 0.019 0.000 3.073 713 H HA 0.129 4.685 4.556 -0.000 0.000 0.340 713 H C 0.129 175.519 175.328 0.104 0.000 1.054 713 H CA 0.498 56.579 56.048 0.055 0.000 1.372 713 H CB 0.284 30.064 29.762 0.030 0.000 1.314 713 H HN 0.103 nan 8.280 nan 0.000 0.603 714 I N 5.056 125.363 120.570 -0.437 0.000 2.307 714 I HA -0.080 4.090 4.170 -0.000 0.000 0.289 714 I C 1.571 177.740 176.117 0.085 0.000 1.021 714 I CA 0.101 61.339 61.300 -0.103 0.000 1.224 714 I CB 0.918 38.862 38.000 -0.094 0.000 1.376 714 I HN 0.609 nan 8.210 nan 0.000 0.470 715 S N 4.895 120.831 115.700 0.394 0.000 2.483 715 S HA 0.462 4.932 4.470 -0.000 0.000 0.221 715 S C 0.683 175.585 174.600 0.502 0.000 1.030 715 S CA 0.378 58.909 58.200 0.553 0.000 0.925 715 S CB 0.641 64.222 63.200 0.633 0.000 0.795 715 S HN 0.709 nan 8.310 nan 0.000 0.511 716 A N -0.014 123.128 122.820 0.536 0.000 2.564 716 A HA 0.692 5.012 4.320 -0.000 0.000 0.291 716 A C -2.026 175.917 177.584 0.598 0.000 1.102 716 A CA -0.627 51.671 52.037 0.435 0.000 0.660 716 A CB 0.185 19.423 19.000 0.396 0.000 1.283 716 A HN 1.141 nan 8.150 nan 0.000 0.430 717 W N -1.391 120.065 121.300 0.260 0.000 3.173 717 W HA 0.709 5.369 4.660 -0.000 0.000 0.313 717 W C -1.467 175.074 176.519 0.036 0.000 1.228 717 W CA -0.321 57.060 57.345 0.059 0.000 1.185 717 W CB 0.816 30.291 29.460 0.024 0.000 1.390 717 W HN 1.072 nan 8.180 nan 0.000 0.568 718 Q N 1.869 121.622 119.800 -0.078 0.000 2.472 718 Q HA 0.514 4.854 4.340 -0.000 0.000 0.281 718 Q C -1.571 174.115 176.000 -0.523 0.000 0.997 718 Q CA -0.632 54.945 55.803 -0.377 0.000 0.828 718 Q CB 2.518 30.848 28.738 -0.680 0.000 1.443 718 Q HN 0.652 nan 8.270 nan 0.000 0.390 719 Q N 2.484 121.887 119.800 -0.661 0.000 2.377 719 Q HA 0.625 4.965 4.340 -0.000 0.000 0.279 719 Q C -1.483 174.411 176.000 -0.175 0.000 1.049 719 Q CA -0.621 55.042 55.803 -0.233 0.000 0.825 719 Q CB 1.767 30.606 28.738 0.168 0.000 1.401 719 Q HN 0.684 nan 8.270 nan 0.000 0.404 720 W N 1.661 123.152 121.300 0.319 0.000 3.033 720 W HA 0.514 5.174 4.660 -0.000 0.000 0.336 720 W C -0.461 176.065 176.519 0.011 0.000 1.173 720 W CA -1.026 56.429 57.345 0.183 0.000 1.185 720 W CB 2.010 31.518 29.460 0.080 0.000 1.425 720 W HN 0.619 nan 8.180 nan 0.000 0.536 721 R N 1.933 122.309 120.500 -0.207 0.000 2.216 721 R HA 0.266 4.606 4.340 -0.000 0.000 0.332 721 R C 0.897 177.006 176.300 -0.318 0.000 1.056 721 R CA -0.114 55.511 56.100 -0.791 0.000 0.901 721 R CB 0.591 30.149 30.300 -1.237 0.000 1.039 721 R HN 0.580 nan 8.270 nan 0.000 0.456 722 L N 2.922 124.014 121.223 -0.219 0.000 2.162 722 L HA 0.244 4.584 4.340 -0.000 0.000 0.205 722 L C 0.840 177.638 176.870 -0.119 0.000 1.086 722 L CA 0.679 55.452 54.840 -0.112 0.000 0.778 722 L CB -0.149 41.885 42.059 -0.043 0.000 0.928 722 L HN 0.682 nan 8.230 nan 0.000 0.446 723 A N -0.564 122.168 122.820 -0.147 0.000 2.511 723 A HA 0.611 4.931 4.320 -0.000 0.000 0.293 723 A C -1.595 175.929 177.584 -0.100 0.000 1.098 723 A CA -0.496 51.480 52.037 -0.101 0.000 0.643 723 A CB 1.462 20.431 19.000 -0.051 0.000 1.302 723 A HN 0.002 nan 8.150 nan 0.000 0.446 724 E N 0.054 120.222 120.200 -0.053 0.000 2.292 724 E HA 0.509 4.859 4.350 -0.000 0.000 0.272 724 E C -1.626 174.976 176.600 0.004 0.000 0.881 724 E CA -0.635 55.751 56.400 -0.023 0.000 0.754 724 E CB 1.282 30.965 29.700 -0.028 0.000 1.201 724 E HN 0.508 nan 8.360 nan 0.000 0.425 725 N N 4.631 123.346 118.700 0.026 0.000 2.898 725 N HA 0.225 4.965 4.740 -0.000 0.000 0.245 725 N C -0.700 174.833 175.510 0.038 0.000 1.185 725 N CA -0.289 52.780 53.050 0.031 0.000 0.879 725 N CB 0.710 39.220 38.487 0.039 0.000 1.157 725 N HN 0.552 nan 8.380 nan 0.000 0.503 726 L N 1.886 123.128 121.223 0.032 0.000 2.660 726 L HA -0.047 4.293 4.340 -0.000 0.000 0.272 726 L C 0.807 177.700 176.870 0.039 0.000 1.194 726 L CA 0.360 55.223 54.840 0.037 0.000 0.945 726 L CB -0.122 41.954 42.059 0.030 0.000 1.212 726 L HN 0.410 nan 8.230 nan 0.000 0.490 727 S N 2.919 118.648 115.700 0.048 0.000 2.510 727 S HA 0.220 4.690 4.470 -0.000 0.000 0.279 727 S C 0.514 175.138 174.600 0.040 0.000 1.284 727 S CA -0.885 57.342 58.200 0.045 0.000 1.059 727 S CB 1.343 64.575 63.200 0.054 0.000 0.901 727 S HN 0.484 nan 8.310 nan 0.000 0.491 728 V N -0.194 119.739 119.914 0.033 0.000 3.085 728 V HA 0.311 4.431 4.120 -0.000 0.000 0.345 728 V C 0.771 176.880 176.094 0.026 0.000 1.397 728 V CA -0.113 62.204 62.300 0.028 0.000 1.165 728 V CB -1.208 30.629 31.823 0.023 0.000 1.153 728 V HN 0.994 nan 8.190 nan 0.000 0.495 729 T N 0.164 114.735 114.554 0.029 0.000 2.909 729 T HA 0.652 5.001 4.350 -0.000 0.000 0.289 729 T C -0.244 174.471 174.700 0.025 0.000 1.005 729 T CA -0.445 61.670 62.100 0.025 0.000 1.084 729 T CB 1.472 70.356 68.868 0.026 0.000 0.975 729 T HN 0.283 nan 8.240 nan 0.000 0.509 730 L N 4.007 125.240 121.223 0.018 0.000 2.312 730 L HA 0.411 4.751 4.340 -0.000 0.000 0.281 730 L C -1.578 175.299 176.870 0.012 0.000 1.070 730 L CA -2.157 52.691 54.840 0.014 0.000 0.805 730 L CB 0.692 42.756 42.059 0.008 0.000 1.174 730 L HN 0.640 nan 8.230 nan 0.000 0.434 731 P HA 0.165 nan 4.420 nan 0.000 0.269 731 P C -0.246 177.050 177.300 -0.005 0.000 1.263 731 P CA -0.360 62.746 63.100 0.010 0.000 0.813 731 P CB 0.662 32.371 31.700 0.014 0.000 0.868 732 A N 4.226 127.040 122.820 -0.010 0.000 2.600 732 A HA 0.242 4.562 4.320 -0.000 0.000 0.244 732 A C 1.062 178.613 177.584 -0.055 0.000 1.016 732 A CA 0.232 52.250 52.037 -0.032 0.000 0.778 732 A CB -0.534 18.445 19.000 -0.035 0.000 0.920 732 A HN 0.779 nan 8.150 nan 0.000 0.513 733 A N 4.242 127.021 122.820 -0.067 0.000 2.572 733 A HA 0.390 4.710 4.320 -0.000 0.000 0.256 733 A C 1.067 178.565 177.584 -0.144 0.000 1.041 733 A CA 0.612 52.599 52.037 -0.084 0.000 0.790 733 A CB -0.677 18.276 19.000 -0.078 0.000 0.947 733 A HN 1.971 nan 8.150 nan 0.000 0.518 734 S N 2.709 118.353 115.700 -0.094 0.000 2.510 734 S HA 0.237 4.707 4.470 -0.000 0.000 0.279 734 S C 0.674 175.233 174.600 -0.068 0.000 1.284 734 S CA -0.079 58.074 58.200 -0.079 0.000 1.059 734 S CB 0.324 63.519 63.200 -0.010 0.000 0.901 734 S HN 0.731 nan 8.310 nan 0.000 0.491 735 H N 2.673 121.749 119.070 0.011 0.000 2.253 735 H HA 0.097 4.653 4.556 -0.000 0.000 0.296 735 H C 1.580 176.914 175.328 0.010 0.000 1.074 735 H CA 1.792 57.845 56.048 0.009 0.000 1.263 735 H CB -0.321 29.446 29.762 0.008 0.000 1.363 735 H HN 0.865 nan 8.280 nan 0.000 0.489 736 A N 0.794 123.717 122.820 0.171 0.000 2.267 736 A HA 0.518 4.838 4.320 -0.000 0.000 0.271 736 A C 0.013 177.637 177.584 0.067 0.000 1.131 736 A CA 0.035 52.131 52.037 0.099 0.000 0.818 736 A CB 0.079 19.135 19.000 0.093 0.000 1.118 736 A HN 0.498 nan 8.150 nan 0.000 0.501 737 I N -1.567 119.040 120.570 0.061 0.000 2.690 737 I HA 0.425 4.595 4.170 -0.000 0.000 0.286 737 I C -2.935 173.222 176.117 0.067 0.000 1.313 737 I CA -1.854 59.474 61.300 0.047 0.000 1.070 737 I CB 2.044 40.061 38.000 0.028 0.000 1.323 737 I HN 0.407 nan 8.210 nan 0.000 0.432 738 P HA -0.113 nan 4.420 nan 0.000 0.268 738 P C -1.211 176.149 177.300 0.101 0.000 1.171 738 P CA 0.632 63.769 63.100 0.062 0.000 0.761 738 P CB 0.142 31.813 31.700 -0.049 0.000 0.786 739 H N 2.711 121.800 119.070 0.032 0.000 2.539 739 H HA 0.347 4.903 4.556 -0.000 0.000 0.332 739 H C -0.836 174.506 175.328 0.023 0.000 1.031 739 H CA -1.086 54.973 56.048 0.019 0.000 1.206 739 H CB 1.014 30.790 29.762 0.023 0.000 1.446 739 H HN 0.208 nan 8.280 nan 0.000 0.496 740 L N 4.675 125.532 121.223 -0.610 0.000 2.395 740 L HA 0.297 4.636 4.340 -0.000 0.000 0.269 740 L C -0.620 175.887 176.870 -0.606 0.000 1.133 740 L CA 0.268 54.823 54.840 -0.474 0.000 0.812 740 L CB 1.286 43.155 42.059 -0.317 0.000 1.125 740 L HN 0.669 nan 8.230 nan 0.000 0.452 741 T N 3.058 117.474 114.554 -0.230 0.000 3.050 741 T HA 0.394 4.744 4.350 -0.000 0.000 0.310 741 T C -0.411 174.340 174.700 0.085 0.000 0.978 741 T CA -0.521 61.536 62.100 -0.072 0.000 1.013 741 T CB 0.977 69.838 68.868 -0.011 0.000 1.000 741 T HN 0.665 nan 8.240 nan 0.000 0.447 742 T N 2.365 116.991 114.554 0.119 0.000 2.902 742 T HA 0.741 5.091 4.350 -0.000 0.000 0.283 742 T C 0.346 175.102 174.700 0.093 0.000 1.009 742 T CA -0.577 61.664 62.100 0.234 0.000 1.051 742 T CB 1.834 70.875 68.868 0.289 0.000 0.999 742 T HN 0.573 nan 8.240 nan 0.000 0.474 743 S N 0.155 115.865 115.700 0.017 0.000 2.998 743 S HA 0.403 4.873 4.470 -0.000 0.000 0.307 743 S C 0.701 175.247 174.600 -0.089 0.000 1.063 743 S CA -0.626 57.556 58.200 -0.030 0.000 0.895 743 S CB 1.033 64.215 63.200 -0.031 0.000 1.362 743 S HN 0.656 nan 8.310 nan 0.000 0.657 744 E N 0.573 120.721 120.200 -0.087 0.000 2.035 744 E HA 0.079 4.428 4.350 -0.000 0.000 0.191 744 E C 1.857 178.357 176.600 -0.168 0.000 0.966 744 E CA 0.751 57.089 56.400 -0.104 0.000 0.823 744 E CB -0.289 29.372 29.700 -0.065 0.000 0.791 744 E HN 0.602 nan 8.360 nan 0.000 0.459 745 M N 1.242 120.766 119.600 -0.126 0.000 2.632 745 M HA -0.075 4.405 4.480 -0.000 0.000 0.256 745 M C -0.158 176.040 176.300 -0.171 0.000 1.080 745 M CA 0.878 56.104 55.300 -0.123 0.000 1.084 745 M CB -0.507 32.057 32.600 -0.060 0.000 1.439 745 M HN 0.134 nan 8.290 nan 0.000 0.509 746 D N -1.827 118.425 120.400 -0.247 0.000 2.970 746 D HA 0.486 5.126 4.640 -0.000 0.000 0.344 746 D C -1.212 174.854 176.300 -0.390 0.000 1.365 746 D CA -0.737 53.099 54.000 -0.274 0.000 0.910 746 D CB 0.885 41.670 40.800 -0.025 0.000 1.445 746 D HN -0.113 nan 8.370 nan 0.000 0.532 747 F N -0.358 119.649 119.950 0.094 0.000 2.689 747 F HA 0.484 5.011 4.527 -0.000 0.000 0.332 747 F C -0.662 175.234 175.800 0.161 0.000 1.209 747 F CA -1.506 56.539 58.000 0.074 0.000 1.028 747 F CB 1.618 40.633 39.000 0.025 0.000 1.291 747 F HN 0.695 nan 8.300 nan 0.000 0.500 748 C N 4.451 123.928 119.300 0.294 0.000 2.349 748 C HA 0.862 5.322 4.460 -0.000 0.000 0.361 748 C C -0.378 174.748 174.990 0.228 0.000 1.189 748 C CA -0.483 58.693 59.018 0.263 0.000 2.155 748 C CB 0.930 28.751 27.740 0.136 0.000 2.336 748 C HN 0.690 nan 8.230 nan 0.000 0.540 749 I N 2.958 123.712 120.570 0.306 0.000 2.610 749 I HA 0.336 4.506 4.170 -0.000 0.000 0.289 749 I C -0.462 175.908 176.117 0.422 0.000 1.163 749 I CA -0.205 61.254 61.300 0.265 0.000 1.044 749 I CB 1.632 39.774 38.000 0.236 0.000 1.251 749 I HN 0.687 nan 8.210 nan 0.000 0.424 750 E N 4.998 125.370 120.200 0.286 0.000 2.249 750 E HA 0.739 5.089 4.350 -0.000 0.000 0.263 750 E C -1.361 175.439 176.600 0.334 0.000 0.950 750 E CA -0.924 55.650 56.400 0.291 0.000 0.827 750 E CB 3.021 32.829 29.700 0.180 0.000 1.220 750 E HN 0.423 nan 8.360 nan 0.000 0.411 751 L N 2.156 123.549 121.223 0.284 0.000 2.691 751 L HA 0.249 4.589 4.340 -0.000 0.000 0.239 751 L C -0.159 176.795 176.870 0.141 0.000 1.062 751 L CA 0.670 55.659 54.840 0.248 0.000 1.002 751 L CB 0.434 42.709 42.059 0.361 0.000 1.232 751 L HN 0.829 nan 8.230 nan 0.000 0.542 752 G N 2.504 111.350 108.800 0.077 0.000 2.514 752 G HA2 -0.356 3.604 3.960 -0.000 0.000 0.265 752 G HA3 -0.356 3.604 3.960 -0.000 0.000 0.265 752 G C 0.306 175.200 174.900 -0.010 0.000 1.150 752 G CA 0.350 45.465 45.100 0.025 0.000 0.959 752 G HN 1.070 nan 8.290 nan 0.000 0.556 753 N N 1.460 120.139 118.700 -0.035 0.000 2.410 753 N HA 0.224 4.964 4.740 -0.000 0.000 0.231 753 N C 0.126 175.572 175.510 -0.106 0.000 1.172 753 N CA 0.678 53.690 53.050 -0.064 0.000 0.849 753 N CB 0.421 38.874 38.487 -0.058 0.000 1.116 753 N HN 0.737 nan 8.380 nan 0.000 0.485 754 K N 0.331 120.648 120.400 -0.139 0.000 2.513 754 K HA 0.456 4.775 4.320 -0.000 0.000 0.251 754 K C -0.777 175.592 176.600 -0.386 0.000 0.939 754 K CA -0.566 55.519 56.287 -0.336 0.000 0.793 754 K CB 2.286 34.525 32.500 -0.435 0.000 1.241 754 K HN 0.082 nan 8.250 nan 0.000 0.431 755 R N 1.284 121.499 120.500 -0.475 0.000 2.867 755 R HA 0.503 4.843 4.340 -0.000 0.000 0.268 755 R C -1.131 174.988 176.300 -0.302 0.000 1.014 755 R CA -0.960 55.039 56.100 -0.169 0.000 0.946 755 R CB 1.911 32.210 30.300 -0.002 0.000 1.208 755 R HN 0.452 nan 8.270 nan 0.000 0.477 756 W N 1.716 123.139 121.300 0.204 0.000 2.756 756 W HA 0.288 4.948 4.660 -0.000 0.000 0.333 756 W C -0.714 175.939 176.519 0.223 0.000 1.025 756 W CA -0.470 56.971 57.345 0.161 0.000 1.246 756 W CB 2.001 31.577 29.460 0.194 0.000 1.358 756 W HN 0.413 nan 8.180 nan 0.000 0.444 757 Q N 2.710 122.692 119.800 0.303 0.000 2.290 757 Q HA 0.357 4.697 4.340 -0.000 0.000 0.259 757 Q C -1.465 174.559 176.000 0.039 0.000 0.941 757 Q CA -0.435 55.536 55.803 0.280 0.000 0.912 757 Q CB 0.976 29.911 28.738 0.328 0.000 1.244 757 Q HN 0.323 nan 8.270 nan 0.000 0.441 758 F N 3.913 123.966 119.950 0.171 0.000 2.293 758 F HA 0.223 4.750 4.527 -0.000 0.000 0.370 758 F C 0.802 176.637 175.800 0.057 0.000 1.090 758 F CA -0.756 57.316 58.000 0.120 0.000 1.133 758 F CB 0.555 39.647 39.000 0.154 0.000 1.360 758 F HN 0.528 nan 8.300 nan 0.000 0.489 759 N N 2.836 121.613 118.700 0.128 0.000 2.294 759 N HA -0.066 4.674 4.740 -0.000 0.000 0.248 759 N C 1.050 176.562 175.510 0.002 0.000 1.242 759 N CA 0.456 53.539 53.050 0.056 0.000 0.848 759 N CB 0.728 39.249 38.487 0.056 0.000 1.084 759 N HN 0.598 nan 8.380 nan 0.000 0.457 760 R N 2.139 122.576 120.500 -0.104 0.000 2.290 760 R HA 0.042 4.382 4.340 -0.000 0.000 0.197 760 R C 1.116 177.329 176.300 -0.144 0.000 0.913 760 R CA 0.528 56.508 56.100 -0.200 0.000 1.040 760 R CB 0.356 30.420 30.300 -0.392 0.000 0.992 760 R HN 0.695 nan 8.270 nan 0.000 0.500 761 Q N -0.580 119.158 119.800 -0.103 0.000 2.324 761 Q HA 0.025 4.365 4.340 -0.000 0.000 0.207 761 Q C 1.953 177.881 176.000 -0.120 0.000 0.928 761 Q CA 1.189 56.935 55.803 -0.095 0.000 0.890 761 Q CB 0.277 28.980 28.738 -0.059 0.000 1.001 761 Q HN 0.146 nan 8.270 nan 0.000 0.517 762 S N -0.260 115.370 115.700 -0.118 0.000 2.425 762 S HA 0.132 4.602 4.470 -0.000 0.000 0.225 762 S C 1.629 175.891 174.600 -0.563 0.000 1.024 762 S CA 0.722 58.788 58.200 -0.225 0.000 0.951 762 S CB 0.099 63.298 63.200 -0.002 0.000 0.796 762 S HN 0.516 nan 8.310 nan 0.000 0.498 763 G N 0.385 108.997 108.800 -0.313 0.000 2.136 763 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.242 763 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.242 763 G C -0.273 174.610 174.900 -0.028 0.000 0.989 763 G CA 0.237 45.218 45.100 -0.198 0.000 0.682 763 G HN 0.470 nan 8.290 nan 0.000 0.522 764 F N -0.716 119.387 119.950 0.256 0.000 2.495 764 F HA 0.627 5.154 4.527 -0.000 0.000 0.327 764 F C 0.479 176.266 175.800 -0.021 0.000 1.103 764 F CA -2.167 55.940 58.000 0.177 0.000 0.949 764 F CB 1.517 40.594 39.000 0.129 0.000 1.142 764 F HN 0.038 nan 8.300 nan 0.000 0.457 765 L N 2.436 123.673 121.223 0.024 0.000 2.827 765 L HA 0.028 4.368 4.340 -0.000 0.000 0.280 765 L C 0.964 177.751 176.870 -0.138 0.000 1.122 765 L CA 0.882 55.450 54.840 -0.454 0.000 1.044 765 L CB -0.323 41.526 42.059 -0.350 0.000 1.402 765 L HN 0.681 nan 8.230 nan 0.000 0.467 766 S N 2.128 117.750 115.700 -0.130 0.000 2.414 766 S HA 0.032 4.502 4.470 -0.000 0.000 0.227 766 S C 0.487 175.011 174.600 -0.127 0.000 1.022 766 S CA 0.889 59.062 58.200 -0.045 0.000 0.958 766 S CB -0.048 63.163 63.200 0.020 0.000 0.797 766 S HN 0.800 nan 8.310 nan 0.000 0.493 767 Q N -0.462 119.219 119.800 -0.199 0.000 2.647 767 Q HA 0.569 4.909 4.340 -0.000 0.000 0.283 767 Q C -1.444 174.308 176.000 -0.412 0.000 0.943 767 Q CA -0.509 55.065 55.803 -0.381 0.000 0.813 767 Q CB 1.175 29.547 28.738 -0.610 0.000 1.477 767 Q HN 0.240 nan 8.270 nan 0.000 0.393 768 M N 1.662 120.921 119.600 -0.570 0.000 2.446 768 M HA 0.765 5.245 4.480 -0.000 0.000 0.294 768 M C -1.953 173.997 176.300 -0.584 0.000 1.158 768 M CA -0.223 54.781 55.300 -0.493 0.000 0.899 768 M CB 1.847 34.147 32.600 -0.501 0.000 1.687 768 M HN 0.569 nan 8.290 nan 0.000 0.455 769 W N 4.843 125.906 121.300 -0.396 0.000 2.702 769 W HA 0.563 5.223 4.660 -0.000 0.000 0.331 769 W C -1.467 174.842 176.519 -0.351 0.000 1.049 769 W CA -0.753 56.414 57.345 -0.296 0.000 1.230 769 W CB 1.903 31.224 29.460 -0.230 0.000 1.408 769 W HN 0.583 nan 8.180 nan 0.000 0.492 770 I N 3.889 124.428 120.570 -0.051 0.000 2.460 770 I HA 0.309 4.479 4.170 -0.000 0.000 0.277 770 I C 0.859 176.959 176.117 -0.028 0.000 1.057 770 I CA 0.236 61.471 61.300 -0.108 0.000 1.179 770 I CB 0.543 38.444 38.000 -0.165 0.000 1.329 770 I HN 0.703 nan 8.210 nan 0.000 0.478 771 G N 5.096 113.884 108.800 -0.019 0.000 2.556 771 G HA2 -0.342 3.618 3.960 -0.000 0.000 0.283 771 G HA3 -0.342 3.618 3.960 -0.000 0.000 0.283 771 G C 0.622 175.564 174.900 0.070 0.000 1.177 771 G CA 0.473 45.569 45.100 -0.007 0.000 0.978 771 G HN 0.612 nan 8.290 nan 0.000 0.554 772 D N 1.309 121.742 120.400 0.055 0.000 2.264 772 D HA 0.027 4.667 4.640 -0.000 0.000 0.208 772 D C 1.068 177.490 176.300 0.203 0.000 0.966 772 D CA 1.280 55.338 54.000 0.097 0.000 0.864 772 D CB -0.146 40.676 40.800 0.037 0.000 0.933 772 D HN 0.600 nan 8.370 nan 0.000 0.499 773 K N 0.933 121.409 120.400 0.127 0.000 2.234 773 K HA 0.274 4.594 4.320 -0.000 0.000 0.282 773 K C -0.010 176.528 176.600 -0.103 0.000 1.039 773 K CA -0.362 55.945 56.287 0.034 0.000 0.928 773 K CB 1.300 33.783 32.500 -0.027 0.000 1.039 773 K HN -0.110 nan 8.250 nan 0.000 0.470 774 K N 2.491 122.732 120.400 -0.265 0.000 2.276 774 K HA 0.048 4.368 4.320 -0.000 0.000 0.283 774 K C 0.665 177.067 176.600 -0.331 0.000 1.044 774 K CA -0.408 55.548 56.287 -0.551 0.000 0.944 774 K CB 0.930 33.144 32.500 -0.478 0.000 1.012 774 K HN 0.410 nan 8.250 nan 0.000 0.472 775 Q N 1.385 120.973 119.800 -0.353 0.000 2.349 775 Q HA 0.169 4.509 4.340 -0.000 0.000 0.209 775 Q C 0.214 176.125 176.000 -0.147 0.000 0.920 775 Q CA 0.747 56.449 55.803 -0.167 0.000 0.901 775 Q CB 0.397 29.082 28.738 -0.088 0.000 1.021 775 Q HN 0.516 nan 8.270 nan 0.000 0.519 776 L N 1.491 122.584 121.223 -0.216 0.000 2.307 776 L HA 0.329 4.669 4.340 -0.000 0.000 0.284 776 L C 0.948 177.693 176.870 -0.208 0.000 1.023 776 L CA -0.311 54.420 54.840 -0.183 0.000 0.810 776 L CB 1.310 43.269 42.059 -0.167 0.000 1.231 776 L HN 0.006 nan 8.230 nan 0.000 0.423 777 L N 1.334 122.424 121.223 -0.222 0.000 2.477 777 L HA 0.177 4.517 4.340 -0.000 0.000 0.220 777 L C 0.208 176.962 176.870 -0.193 0.000 1.106 777 L CA 0.622 55.333 54.840 -0.214 0.000 0.851 777 L CB 0.079 41.990 42.059 -0.246 0.000 0.994 777 L HN 0.626 nan 8.230 nan 0.000 0.462 778 T N -0.653 113.776 114.554 -0.208 0.000 2.923 778 T HA 0.383 4.732 4.350 -0.000 0.000 0.311 778 T C -2.682 171.969 174.700 -0.081 0.000 1.183 778 T CA -1.135 60.887 62.100 -0.130 0.000 1.020 778 T CB 2.543 71.310 68.868 -0.169 0.000 1.165 778 T HN -0.307 nan 8.240 nan 0.000 0.482 779 P HA 0.242 nan 4.420 nan 0.000 0.270 779 P C -0.747 176.529 177.300 -0.039 0.000 1.223 779 P CA -0.714 62.379 63.100 -0.011 0.000 0.785 779 P CB 0.391 32.119 31.700 0.047 0.000 0.923 780 L N 3.224 124.448 121.223 0.001 0.000 2.282 780 L HA 0.364 4.704 4.340 -0.000 0.000 0.287 780 L C -0.053 176.738 176.870 -0.132 0.000 1.075 780 L CA -0.007 54.844 54.840 0.017 0.000 0.839 780 L CB -0.345 41.829 42.059 0.192 0.000 1.219 780 L HN 0.303 nan 8.230 nan 0.000 0.434 781 R N 2.313 122.641 120.500 -0.286 0.000 2.854 781 R HA 0.592 4.932 4.340 -0.000 0.000 0.271 781 R C -0.917 175.234 176.300 -0.248 0.000 0.996 781 R CA -0.927 54.880 56.100 -0.488 0.000 0.961 781 R CB 0.965 30.707 30.300 -0.930 0.000 1.182 781 R HN 0.439 nan 8.270 nan 0.000 0.479 782 D N 1.419 121.715 120.400 -0.172 0.000 2.443 782 D HA -0.030 4.610 4.640 -0.000 0.000 0.239 782 D C -0.568 175.336 176.300 -0.659 0.000 1.136 782 D CA 0.641 54.432 54.000 -0.350 0.000 0.879 782 D CB 1.168 41.813 40.800 -0.259 0.000 1.195 782 D HN 0.345 nan 8.370 nan 0.000 0.443 783 Q N 0.885 120.121 119.800 -0.941 0.000 2.377 783 Q HA 0.378 4.718 4.340 -0.000 0.000 0.271 783 Q C -1.082 174.157 176.000 -1.268 0.000 1.077 783 Q CA -0.629 54.649 55.803 -0.875 0.000 0.820 783 Q CB 1.207 29.666 28.738 -0.466 0.000 1.347 783 Q HN 0.352 nan 8.270 nan 0.000 0.444 784 F N 0.263 119.879 119.950 -0.556 0.000 2.901 784 F HA 0.208 4.735 4.527 -0.000 0.000 0.329 784 F C -0.003 175.431 175.800 -0.609 0.000 1.185 784 F CA -0.104 57.475 58.000 -0.702 0.000 1.114 784 F CB 1.244 39.571 39.000 -1.120 0.000 1.199 784 F HN 0.540 nan 8.300 nan 0.000 0.513 785 T N -1.194 113.120 114.554 -0.400 0.000 2.681 785 T HA 0.853 5.202 4.350 -0.000 0.000 0.296 785 T C -0.829 173.682 174.700 -0.315 0.000 1.157 785 T CA -0.915 60.891 62.100 -0.490 0.000 1.025 785 T CB 3.252 71.758 68.868 -0.603 0.000 1.441 785 T HN 0.260 nan 8.240 nan 0.000 0.504 786 R N -0.394 119.978 120.500 -0.212 0.000 2.716 786 R HA 0.745 5.085 4.340 -0.000 0.000 0.271 786 R C -1.267 175.109 176.300 0.127 0.000 1.028 786 R CA -1.106 54.974 56.100 -0.034 0.000 0.883 786 R CB 1.261 31.554 30.300 -0.011 0.000 1.250 786 R HN 0.920 nan 8.270 nan 0.000 0.465 787 A N 2.911 125.777 122.820 0.075 0.000 2.457 787 A HA 0.318 4.638 4.320 -0.000 0.000 0.298 787 A C -1.975 175.668 177.584 0.099 0.000 1.288 787 A CA -1.497 50.574 52.037 0.057 0.000 0.956 787 A CB -0.511 18.467 19.000 -0.038 0.000 1.135 787 A HN 0.517 nan 8.150 nan 0.000 0.535 788 P HA -0.068 nan 4.420 nan 0.000 0.259 788 P C -0.049 177.354 177.300 0.173 0.000 1.155 788 P CA 0.665 63.915 63.100 0.249 0.000 0.759 788 P CB 0.259 32.129 31.700 0.283 0.000 0.753 789 L N 2.837 124.137 121.223 0.128 0.000 2.476 789 L HA 0.047 4.387 4.340 -0.000 0.000 0.264 789 L C 1.991 178.891 176.870 0.050 0.000 1.224 789 L CA -0.126 54.739 54.840 0.042 0.000 0.821 789 L CB -0.123 41.901 42.059 -0.057 0.000 1.101 789 L HN 0.340 nan 8.230 nan 0.000 0.488 790 D N 0.393 120.774 120.400 -0.031 0.000 2.149 790 D HA -0.160 4.480 4.640 -0.000 0.000 0.198 790 D C 1.581 177.801 176.300 -0.132 0.000 0.990 790 D CA 1.384 55.284 54.000 -0.168 0.000 0.839 790 D CB 0.026 40.635 40.800 -0.318 0.000 0.948 790 D HN 0.471 nan 8.370 nan 0.000 0.460 791 N N 1.019 119.660 118.700 -0.099 0.000 2.381 791 N HA -0.096 4.644 4.740 -0.000 0.000 0.182 791 N C 1.045 176.554 175.510 -0.002 0.000 1.025 791 N CA 0.648 53.661 53.050 -0.061 0.000 0.888 791 N CB -0.083 38.352 38.487 -0.087 0.000 0.965 791 N HN 0.310 nan 8.380 nan 0.000 0.438 792 D N 0.031 120.445 120.400 0.024 0.000 2.249 792 D HA 0.064 4.704 4.640 -0.000 0.000 0.205 792 D C 1.930 178.272 176.300 0.070 0.000 0.962 792 D CA 0.288 54.334 54.000 0.078 0.000 0.860 792 D CB 0.320 41.218 40.800 0.164 0.000 0.955 792 D HN 0.312 nan 8.370 nan 0.000 0.505 793 I N 0.713 121.305 120.570 0.037 0.000 2.235 793 I HA 0.006 4.176 4.170 -0.000 0.000 0.241 793 I C 1.948 178.074 176.117 0.014 0.000 1.085 793 I CA 0.945 62.252 61.300 0.012 0.000 1.378 793 I CB -0.449 37.522 38.000 -0.049 0.000 1.076 793 I HN 0.085 nan 8.210 nan 0.000 0.415 794 G N 0.984 109.797 108.800 0.023 0.000 2.561 794 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.289 794 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.289 794 G C 0.551 175.606 174.900 0.258 0.000 1.169 794 G CA 0.756 45.943 45.100 0.146 0.000 0.980 794 G HN 0.642 nan 8.290 nan 0.000 0.550 795 V N -2.392 117.659 119.914 0.228 0.000 3.085 795 V HA 0.694 4.814 4.120 -0.000 0.000 0.345 795 V C 0.909 177.069 176.094 0.111 0.000 1.397 795 V CA 0.952 63.399 62.300 0.245 0.000 1.165 795 V CB 0.328 32.259 31.823 0.179 0.000 1.153 795 V HN 1.206 nan 8.190 nan 0.000 0.495 796 S N 1.522 117.262 115.700 0.067 0.000 2.531 796 S HA 0.394 4.864 4.470 -0.000 0.000 0.279 796 S C -0.125 174.494 174.600 0.031 0.000 1.305 796 S CA 0.068 58.289 58.200 0.034 0.000 1.058 796 S CB 0.366 63.577 63.200 0.019 0.000 0.899 796 S HN 0.774 nan 8.310 nan 0.000 0.493 797 E N 1.768 121.985 120.200 0.028 0.000 2.367 797 E HA 0.502 4.852 4.350 -0.000 0.000 0.273 797 E C 0.690 177.306 176.600 0.027 0.000 0.903 797 E CA -0.639 55.779 56.400 0.030 0.000 0.764 797 E CB 1.611 31.330 29.700 0.032 0.000 1.252 797 E HN 0.620 nan 8.360 nan 0.000 0.446 798 A N 1.456 124.296 122.820 0.032 0.000 1.903 798 A HA -0.253 4.067 4.320 -0.000 0.000 0.219 798 A C 1.966 179.565 177.584 0.025 0.000 1.191 798 A CA 2.794 54.849 52.037 0.031 0.000 0.638 798 A CB -1.141 17.880 19.000 0.035 0.000 0.823 798 A HN 0.736 nan 8.150 nan 0.000 0.451 799 T N -0.346 114.223 114.554 0.025 0.000 2.595 799 T HA -0.123 4.227 4.350 -0.000 0.000 0.264 799 T C 0.837 175.544 174.700 0.012 0.000 1.058 799 T CA 1.615 63.726 62.100 0.019 0.000 1.166 799 T CB -0.262 68.617 68.868 0.018 0.000 0.863 799 T HN 0.485 nan 8.240 nan 0.000 0.415 800 R N 0.819 121.325 120.500 0.011 0.000 2.332 800 R HA 0.547 4.887 4.340 -0.000 0.000 0.306 800 R C -0.959 175.345 176.300 0.007 0.000 1.117 800 R CA -0.138 55.965 56.100 0.004 0.000 1.108 800 R CB 0.075 30.371 30.300 -0.007 0.000 1.126 800 R HN 0.332 nan 8.270 nan 0.000 0.548 801 I N 1.728 122.301 120.570 0.006 0.000 2.533 801 I HA -0.041 4.128 4.170 -0.000 0.000 0.284 801 I C 0.264 176.378 176.117 -0.006 0.000 1.109 801 I CA 0.338 61.641 61.300 0.005 0.000 1.412 801 I CB 0.655 38.660 38.000 0.007 0.000 1.396 801 I HN 0.459 nan 8.210 nan 0.000 0.543 802 D N 9.674 130.069 120.400 -0.010 0.000 2.518 802 D HA 0.246 4.886 4.640 -0.000 0.000 0.230 802 D C -1.613 174.654 176.300 -0.055 0.000 1.138 802 D CA -2.347 51.637 54.000 -0.026 0.000 0.964 802 D CB 0.871 41.662 40.800 -0.015 0.000 1.011 802 D HN 0.158 nan 8.370 nan 0.000 0.517 803 P HA -0.181 nan 4.420 nan 0.000 0.220 803 P C 0.214 177.435 177.300 -0.131 0.000 1.144 803 P CA 1.209 64.264 63.100 -0.075 0.000 0.808 803 P CB 0.119 31.782 31.700 -0.061 0.000 0.763 804 N N -1.781 116.828 118.700 -0.152 0.000 2.197 804 N HA 0.198 4.938 4.740 -0.000 0.000 0.201 804 N C 0.517 175.831 175.510 -0.326 0.000 1.148 804 N CA -0.186 52.716 53.050 -0.246 0.000 0.883 804 N CB 0.372 38.728 38.487 -0.219 0.000 1.012 804 N HN 0.031 nan 8.380 nan 0.000 0.507 805 A N 0.887 123.577 122.820 -0.215 0.000 2.561 805 A HA -0.041 4.279 4.320 -0.000 0.000 0.234 805 A C 0.695 178.093 177.584 -0.309 0.000 1.055 805 A CA -0.105 51.821 52.037 -0.184 0.000 0.756 805 A CB 0.047 19.005 19.000 -0.070 0.000 0.986 805 A HN 0.387 nan 8.150 nan 0.000 0.505 806 W N 1.878 122.932 121.300 -0.409 0.000 2.332 806 W HA -0.177 4.483 4.660 -0.000 0.000 0.321 806 W C 2.302 178.347 176.519 -0.789 0.000 1.219 806 W CA 1.859 58.703 57.345 -0.834 0.000 1.277 806 W CB -0.550 28.253 29.460 -1.094 0.000 1.161 806 W HN 0.556 nan 8.180 nan 0.000 0.476 807 V N 0.945 120.814 119.914 -0.075 0.000 2.363 807 V HA -0.337 3.783 4.120 -0.000 0.000 0.254 807 V C 2.238 178.447 176.094 0.192 0.000 1.074 807 V CA 2.298 64.755 62.300 0.262 0.000 1.069 807 V CB -0.431 31.533 31.823 0.235 0.000 0.659 807 V HN 0.125 nan 8.190 nan 0.000 0.455 808 E N -0.061 120.152 120.200 0.022 0.000 2.106 808 E HA -0.152 4.198 4.350 -0.000 0.000 0.192 808 E C 2.359 178.959 176.600 0.001 0.000 0.984 808 E CA 1.247 57.654 56.400 0.011 0.000 0.806 808 E CB -0.308 29.369 29.700 -0.039 0.000 0.750 808 E HN 0.662 nan 8.360 nan 0.000 0.458 809 R N -0.669 119.768 120.500 -0.105 0.000 2.119 809 R HA -0.066 4.274 4.340 -0.000 0.000 0.222 809 R C 2.188 178.501 176.300 0.022 0.000 1.088 809 R CA 0.683 56.714 56.100 -0.114 0.000 0.984 809 R CB -0.165 29.954 30.300 -0.301 0.000 0.884 809 R HN 0.215 nan 8.270 nan 0.000 0.447 810 W N 2.173 123.442 121.300 -0.052 0.000 2.379 810 W HA -0.010 4.650 4.660 -0.000 0.000 0.307 810 W C 1.978 178.493 176.519 -0.007 0.000 1.200 810 W CA 0.603 57.843 57.345 -0.176 0.000 1.297 810 W CB -0.521 28.923 29.460 -0.027 0.000 1.140 810 W HN 0.032 nan 8.180 nan 0.000 0.507 811 K N -0.003 120.638 120.400 0.403 0.000 2.026 811 K HA -0.094 4.226 4.320 -0.000 0.000 0.208 811 K C 2.247 178.941 176.600 0.156 0.000 1.048 811 K CA 1.759 58.248 56.287 0.337 0.000 0.929 811 K CB -0.636 32.009 32.500 0.242 0.000 0.713 811 K HN -0.012 nan 8.250 nan 0.000 0.439 812 A N 1.576 124.455 122.820 0.099 0.000 1.898 812 A HA -0.072 4.248 4.320 -0.000 0.000 0.216 812 A C 2.395 179.974 177.584 -0.008 0.000 1.181 812 A CA 1.690 53.754 52.037 0.045 0.000 0.620 812 A CB -0.719 18.304 19.000 0.038 0.000 0.819 812 A HN 0.325 nan 8.150 nan 0.000 0.442 813 A N -1.951 120.887 122.820 0.030 0.000 2.019 813 A HA 0.277 4.597 4.320 -0.000 0.000 0.219 813 A C 2.126 179.630 177.584 -0.134 0.000 1.164 813 A CA 1.931 53.999 52.037 0.052 0.000 0.644 813 A CB -0.850 18.270 19.000 0.199 0.000 0.805 813 A HN 1.909 nan 8.150 nan 0.000 0.449 814 G N -2.895 105.810 108.800 -0.158 0.000 2.201 814 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.212 814 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.212 814 G C 0.726 175.658 174.900 0.054 0.000 0.994 814 G CA 0.638 45.512 45.100 -0.376 0.000 0.644 814 G HN 0.681 nan 8.290 nan 0.000 0.508 815 H N -0.684 118.336 119.070 -0.083 0.000 2.337 815 H HA -0.282 4.274 4.556 -0.000 0.000 0.288 815 H C 2.272 177.536 175.328 -0.106 0.000 1.117 815 H CA 2.059 58.047 56.048 -0.099 0.000 1.205 815 H CB -0.130 29.481 29.762 -0.252 0.000 1.353 815 H HN 0.563 nan 8.280 nan 0.000 0.480 816 Y N 0.981 121.396 120.300 0.192 0.000 2.256 816 Y HA -0.194 4.356 4.550 -0.000 0.000 0.288 816 Y C 1.926 177.910 175.900 0.140 0.000 1.155 816 Y CA 1.424 59.601 58.100 0.129 0.000 1.203 816 Y CB 0.033 38.556 38.460 0.104 0.000 0.980 816 Y HN 0.386 nan 8.280 nan 0.000 0.530 817 Q N -0.676 119.293 119.800 0.282 0.000 2.135 817 Q HA 0.457 4.797 4.340 -0.000 0.000 0.222 817 Q C 0.192 176.376 176.000 0.307 0.000 0.808 817 Q CA -0.082 55.885 55.803 0.274 0.000 1.049 817 Q CB 0.713 29.612 28.738 0.268 0.000 1.168 817 Q HN 0.185 nan 8.270 nan 0.000 0.483 818 A N 2.354 125.364 122.820 0.317 0.000 2.477 818 A HA 0.157 4.477 4.320 -0.000 0.000 0.246 818 A C 0.190 178.048 177.584 0.456 0.000 1.078 818 A CA -0.237 52.026 52.037 0.377 0.000 0.770 818 A CB 0.242 19.446 19.000 0.340 0.000 1.011 818 A HN 0.287 nan 8.150 nan 0.000 0.494 819 E N 1.950 122.343 120.200 0.321 0.000 2.197 819 E HA 0.524 4.874 4.350 -0.000 0.000 0.281 819 E C -0.095 176.527 176.600 0.038 0.000 0.995 819 E CA -0.490 56.036 56.400 0.209 0.000 0.808 819 E CB 1.285 31.065 29.700 0.133 0.000 1.093 819 E HN 0.656 nan 8.360 nan 0.000 0.394 820 A N 2.531 125.250 122.820 -0.169 0.000 2.445 820 A HA 0.474 4.794 4.320 -0.000 0.000 0.242 820 A C -0.135 177.306 177.584 -0.238 0.000 1.075 820 A CA 0.050 51.709 52.037 -0.629 0.000 0.777 820 A CB 0.353 19.022 19.000 -0.552 0.000 1.013 820 A HN 0.723 nan 8.150 nan 0.000 0.493 821 A N 2.396 125.073 122.820 -0.238 0.000 2.375 821 A HA 0.546 4.866 4.320 -0.000 0.000 0.291 821 A C -0.658 176.853 177.584 -0.123 0.000 1.160 821 A CA -0.552 51.420 52.037 -0.109 0.000 0.747 821 A CB 0.556 19.520 19.000 -0.061 0.000 1.170 821 A HN 0.969 nan 8.150 nan 0.000 0.458 822 L N 2.965 124.084 121.223 -0.174 0.000 2.477 822 L HA 0.267 4.607 4.340 -0.000 0.000 0.272 822 L C 0.476 177.228 176.870 -0.196 0.000 1.157 822 L CA 0.091 54.738 54.840 -0.321 0.000 0.889 822 L CB 0.305 42.180 42.059 -0.307 0.000 1.158 822 L HN 0.799 nan 8.230 nan 0.000 0.473 823 L N 3.920 125.026 121.223 -0.194 0.000 2.701 823 L HA 0.300 4.640 4.340 -0.000 0.000 0.238 823 L C 0.096 176.912 176.870 -0.090 0.000 1.106 823 L CA 0.002 54.782 54.840 -0.100 0.000 0.898 823 L CB 0.208 42.238 42.059 -0.049 0.000 1.188 823 L HN 0.789 nan 8.230 nan 0.000 0.508 824 Q N -0.183 119.537 119.800 -0.134 0.000 2.913 824 Q HA 0.140 4.480 4.340 -0.000 0.000 0.213 824 Q C -2.082 173.865 176.000 -0.089 0.000 0.981 824 Q CA -0.518 55.235 55.803 -0.085 0.000 1.133 824 Q CB 0.973 29.688 28.738 -0.039 0.000 1.839 824 Q HN 0.027 nan 8.270 nan 0.000 0.540 825 C N 3.616 122.891 119.300 -0.041 0.000 2.431 825 C HA 0.977 5.437 4.460 -0.000 0.000 0.321 825 C C -0.852 174.198 174.990 0.101 0.000 1.202 825 C CA 0.688 59.719 59.018 0.022 0.000 1.398 825 C CB 1.007 28.754 27.740 0.011 0.000 2.047 825 C HN 0.851 nan 8.230 nan 0.000 0.465 826 T N 2.905 117.496 114.554 0.062 0.000 2.982 826 T HA 0.778 5.128 4.350 -0.000 0.000 0.321 826 T C -0.675 173.871 174.700 -0.256 0.000 1.229 826 T CA -0.178 61.912 62.100 -0.016 0.000 1.044 826 T CB 1.406 70.255 68.868 -0.032 0.000 1.184 826 T HN 1.584 nan 8.240 nan 0.000 0.477 827 A N 2.349 124.845 122.820 -0.540 0.000 2.325 827 A HA 0.841 5.161 4.320 -0.000 0.000 0.333 827 A C -0.669 176.666 177.584 -0.414 0.000 1.155 827 A CA -0.602 50.997 52.037 -0.730 0.000 0.814 827 A CB 0.980 19.136 19.000 -1.406 0.000 1.206 827 A HN 0.931 nan 8.150 nan 0.000 0.482 828 D N 0.215 120.419 120.400 -0.327 0.000 2.837 828 D HA 0.391 5.031 4.640 -0.000 0.000 0.220 828 D C -1.370 174.821 176.300 -0.183 0.000 1.236 828 D CA -0.087 53.788 54.000 -0.208 0.000 0.838 828 D CB 2.418 43.131 40.800 -0.145 0.000 1.647 828 D HN 0.435 nan 8.370 nan 0.000 0.486 829 T N 1.944 116.418 114.554 -0.134 0.000 2.772 829 T HA 0.396 4.745 4.350 -0.000 0.000 0.288 829 T C 0.248 174.904 174.700 -0.074 0.000 0.994 829 T CA -0.563 61.473 62.100 -0.107 0.000 0.951 829 T CB 0.965 69.780 68.868 -0.087 0.000 0.933 829 T HN 0.069 nan 8.240 nan 0.000 0.447 830 L N 1.855 123.037 121.223 -0.069 0.000 2.472 830 L HA 0.615 4.955 4.340 -0.000 0.000 0.256 830 L C 1.787 178.637 176.870 -0.034 0.000 1.111 830 L CA -0.295 54.516 54.840 -0.048 0.000 0.800 830 L CB -0.068 41.963 42.059 -0.047 0.000 1.286 830 L HN 0.720 nan 8.230 nan 0.000 0.479 831 A N -0.337 122.468 122.820 -0.025 0.000 2.209 831 A HA -0.032 4.288 4.320 -0.000 0.000 0.212 831 A C 0.346 177.921 177.584 -0.015 0.000 1.158 831 A CA 1.444 53.471 52.037 -0.016 0.000 0.742 831 A CB -0.795 18.197 19.000 -0.014 0.000 0.790 831 A HN 0.807 nan 8.150 nan 0.000 0.472 832 D N -3.495 116.892 120.400 -0.021 0.000 2.475 832 D HA 0.494 5.134 4.640 -0.000 0.000 0.306 832 D C 0.105 176.388 176.300 -0.028 0.000 1.304 832 D CA 0.635 54.624 54.000 -0.019 0.000 0.862 832 D CB -0.427 40.363 40.800 -0.017 0.000 1.306 832 D HN 0.559 nan 8.370 nan 0.000 0.494 833 A N -0.437 122.357 122.820 -0.044 0.000 2.522 833 A HA 0.570 4.890 4.320 -0.000 0.000 0.291 833 A C -1.326 176.199 177.584 -0.098 0.000 1.039 833 A CA -0.762 51.233 52.037 -0.070 0.000 0.643 833 A CB 0.442 19.398 19.000 -0.072 0.000 1.310 833 A HN 0.064 nan 8.150 nan 0.000 0.436 834 V N -0.076 119.753 119.914 -0.142 0.000 3.036 834 V HA 0.727 4.847 4.120 -0.000 0.000 0.308 834 V C -0.335 175.643 176.094 -0.193 0.000 1.070 834 V CA -0.366 61.822 62.300 -0.188 0.000 1.056 834 V CB 1.403 33.082 31.823 -0.240 0.000 1.084 834 V HN 1.209 nan 8.190 nan 0.000 0.471 835 L N 3.310 124.398 121.223 -0.225 0.000 2.528 835 L HA 0.568 4.908 4.340 -0.000 0.000 0.267 835 L C -0.916 175.803 176.870 -0.251 0.000 0.961 835 L CA -0.011 54.716 54.840 -0.188 0.000 0.866 835 L CB 1.443 43.429 42.059 -0.121 0.000 1.248 835 L HN 0.455 nan 8.230 nan 0.000 0.404 836 I N 3.266 123.688 120.570 -0.246 0.000 2.437 836 I HA 0.529 4.699 4.170 -0.000 0.000 0.298 836 I C -0.271 175.826 176.117 -0.033 0.000 0.984 836 I CA -0.356 60.766 61.300 -0.297 0.000 1.214 836 I CB 1.635 39.213 38.000 -0.703 0.000 1.365 836 I HN 0.578 nan 8.210 nan 0.000 0.469 837 T N 3.800 118.336 114.554 -0.030 0.000 3.078 837 T HA 0.358 4.708 4.350 -0.000 0.000 0.328 837 T C 0.105 174.848 174.700 0.073 0.000 0.987 837 T CA -0.566 61.567 62.100 0.055 0.000 1.049 837 T CB 1.230 70.104 68.868 0.010 0.000 1.011 837 T HN 0.797 nan 8.240 nan 0.000 0.463 838 T N 0.021 114.672 114.554 0.161 0.000 2.948 838 T HA 0.904 5.254 4.350 -0.000 0.000 0.285 838 T C -0.377 174.393 174.700 0.116 0.000 1.019 838 T CA -1.206 60.963 62.100 0.115 0.000 1.013 838 T CB 2.048 71.070 68.868 0.256 0.000 1.117 838 T HN 0.684 nan 8.240 nan 0.000 0.533 839 A N 1.548 124.373 122.820 0.009 0.000 2.562 839 A HA 0.562 4.882 4.320 -0.000 0.000 0.297 839 A C -0.970 176.597 177.584 -0.028 0.000 1.100 839 A CA -0.863 51.224 52.037 0.083 0.000 0.914 839 A CB -0.102 18.938 19.000 0.067 0.000 1.490 839 A HN 0.918 nan 8.150 nan 0.000 0.391 840 H N 0.746 119.844 119.070 0.047 0.000 2.530 840 H HA 0.867 5.423 4.556 -0.000 0.000 0.342 840 H C 0.432 175.741 175.328 -0.031 0.000 1.312 840 H CA -0.210 55.772 56.048 -0.110 0.000 1.376 840 H CB 1.265 30.802 29.762 -0.376 0.000 1.692 840 H HN 1.016 nan 8.280 nan 0.000 0.622 841 A N 0.579 123.410 122.820 0.018 0.000 2.402 841 A HA 0.326 4.646 4.320 -0.000 0.000 0.291 841 A C -1.451 176.210 177.584 0.128 0.000 1.051 841 A CA -0.744 51.387 52.037 0.157 0.000 0.716 841 A CB 0.918 19.984 19.000 0.110 0.000 1.223 841 A HN 0.533 nan 8.150 nan 0.000 0.425 842 W N 1.919 123.332 121.300 0.188 0.000 2.365 842 W HA 0.487 5.147 4.660 -0.000 0.000 0.316 842 W C -0.055 176.463 176.519 -0.001 0.000 1.164 842 W CA -0.117 57.315 57.345 0.145 0.000 1.204 842 W CB 1.571 31.173 29.460 0.236 0.000 1.213 842 W HN 0.768 nan 8.180 nan 0.000 0.539 843 Q N 0.954 120.899 119.800 0.240 0.000 2.544 843 Q HA 0.419 4.759 4.340 -0.000 0.000 0.291 843 Q C -0.975 175.137 176.000 0.186 0.000 1.068 843 Q CA -0.931 54.953 55.803 0.136 0.000 0.785 843 Q CB 3.478 32.261 28.738 0.075 0.000 1.481 843 Q HN 0.393 nan 8.270 nan 0.000 0.430 844 H N 1.212 120.305 119.070 0.040 0.000 3.083 844 H HA 0.094 4.650 4.556 -0.000 0.000 0.339 844 H C -1.219 174.136 175.328 0.044 0.000 1.020 844 H CA -0.192 55.889 56.048 0.055 0.000 1.360 844 H CB 1.140 30.938 29.762 0.060 0.000 1.811 844 H HN 0.807 nan 8.280 nan 0.000 0.493 845 Q N 3.213 122.670 119.800 -0.573 0.000 2.434 845 Q HA -0.184 4.155 4.340 -0.000 0.000 0.366 845 Q C 0.999 176.941 176.000 -0.097 0.000 1.398 845 Q CA 1.017 56.619 55.803 -0.335 0.000 1.074 845 Q CB -1.350 27.174 28.738 -0.356 0.000 1.236 845 Q HN 1.096 nan 8.270 nan 0.000 0.329 846 G N 0.829 109.592 108.800 -0.061 0.000 2.393 846 G HA2 -0.376 3.584 3.960 -0.000 0.000 0.304 846 G HA3 -0.376 3.584 3.960 -0.000 0.000 0.304 846 G C 0.156 175.062 174.900 0.009 0.000 0.977 846 G CA 1.468 46.559 45.100 -0.015 0.000 0.803 846 G HN 0.476 nan 8.290 nan 0.000 0.511 847 K N 0.004 120.419 120.400 0.026 0.000 2.203 847 K HA 0.668 4.988 4.320 -0.000 0.000 0.251 847 K C -0.059 176.550 176.600 0.016 0.000 0.944 847 K CA -0.481 55.824 56.287 0.029 0.000 0.829 847 K CB 1.269 33.801 32.500 0.052 0.000 1.125 847 K HN -0.042 nan 8.250 nan 0.000 0.430 848 T N 5.216 119.768 114.554 -0.003 0.000 2.781 848 T HA 0.268 4.618 4.350 -0.000 0.000 0.305 848 T C 1.209 175.833 174.700 -0.127 0.000 1.001 848 T CA -0.680 61.408 62.100 -0.021 0.000 0.950 848 T CB 0.303 69.186 68.868 0.025 0.000 0.955 848 T HN 0.543 nan 8.240 nan 0.000 0.471 849 L N 1.698 122.734 121.223 -0.311 0.000 1.961 849 L HA 0.139 4.479 4.340 -0.000 0.000 0.209 849 L C 0.502 176.896 176.870 -0.794 0.000 1.075 849 L CA 1.358 55.748 54.840 -0.752 0.000 0.749 849 L CB -0.453 40.743 42.059 -1.437 0.000 0.890 849 L HN 0.452 nan 8.230 nan 0.000 0.433 850 F N -1.444 118.417 119.950 -0.147 0.000 2.697 850 F HA 0.706 5.233 4.527 -0.000 0.000 0.386 850 F C -0.234 175.647 175.800 0.134 0.000 1.154 850 F CA -1.254 56.642 58.000 -0.173 0.000 1.108 850 F CB 1.012 39.604 39.000 -0.680 0.000 1.429 850 F HN -0.295 nan 8.300 nan 0.000 0.509 851 I N 0.197 121.033 120.570 0.444 0.000 2.715 851 I HA 0.235 4.405 4.170 -0.000 0.000 0.288 851 I C -1.374 175.031 176.117 0.480 0.000 1.371 851 I CA -0.182 61.386 61.300 0.446 0.000 1.056 851 I CB 2.144 40.303 38.000 0.266 0.000 1.339 851 I HN 0.499 nan 8.210 nan 0.000 0.425 852 S N 6.104 122.171 115.700 0.612 0.000 2.596 852 S HA 0.589 5.059 4.470 -0.000 0.000 0.318 852 S C -0.839 174.000 174.600 0.398 0.000 1.097 852 S CA -0.597 57.936 58.200 0.554 0.000 1.080 852 S CB 0.762 64.451 63.200 0.815 0.000 0.991 852 S HN 0.513 nan 8.310 nan 0.000 0.471 853 R N 3.950 124.610 120.500 0.267 0.000 2.358 853 R HA 0.359 4.699 4.340 -0.000 0.000 0.309 853 R C -0.479 175.898 176.300 0.129 0.000 1.026 853 R CA -0.611 55.604 56.100 0.192 0.000 0.909 853 R CB 1.315 31.701 30.300 0.144 0.000 1.153 853 R HN 0.589 nan 8.270 nan 0.000 0.515 854 K N 0.232 120.720 120.400 0.148 0.000 2.280 854 K HA 0.608 4.928 4.320 -0.000 0.000 0.234 854 K C -0.384 176.242 176.600 0.043 0.000 1.028 854 K CA -0.896 55.401 56.287 0.017 0.000 0.882 854 K CB 1.842 34.270 32.500 -0.120 0.000 1.194 854 K HN 0.321 nan 8.250 nan 0.000 0.458 855 T N -1.025 113.481 114.554 -0.080 0.000 3.071 855 T HA 0.419 4.769 4.350 -0.000 0.000 0.311 855 T C -1.315 173.382 174.700 -0.005 0.000 1.042 855 T CA -0.829 61.294 62.100 0.038 0.000 1.028 855 T CB 0.316 69.202 68.868 0.030 0.000 1.068 855 T HN 0.436 nan 8.240 nan 0.000 0.451 856 Y N 1.606 121.907 120.300 0.001 0.000 2.419 856 Y HA 0.807 5.356 4.550 -0.000 0.000 0.328 856 Y C 0.801 176.652 175.900 -0.082 0.000 1.162 856 Y CA -1.936 56.168 58.100 0.006 0.000 1.174 856 Y CB 1.254 39.791 38.460 0.128 0.000 1.228 856 Y HN 0.909 nan 8.280 nan 0.000 0.473 857 R N 2.963 123.514 120.500 0.085 0.000 3.107 857 R HA 0.412 4.752 4.340 -0.000 0.000 0.251 857 R C -2.050 174.206 176.300 -0.074 0.000 1.818 857 R CA -0.158 55.927 56.100 -0.026 0.000 1.228 857 R CB 0.005 30.299 30.300 -0.011 0.000 1.459 857 R HN 0.783 nan 8.270 nan 0.000 0.520 858 I N 3.147 123.603 120.570 -0.190 0.000 2.452 858 I HA 0.222 4.392 4.170 -0.000 0.000 0.287 858 I C 0.062 176.053 176.117 -0.209 0.000 1.079 858 I CA -0.448 60.664 61.300 -0.314 0.000 1.387 858 I CB 0.343 37.931 38.000 -0.688 0.000 1.404 858 I HN 0.543 nan 8.210 nan 0.000 0.522 859 D N 4.163 124.485 120.400 -0.129 0.000 2.494 859 D HA 0.331 4.971 4.640 -0.000 0.000 0.259 859 D C 1.301 177.580 176.300 -0.035 0.000 1.109 859 D CA -0.689 53.272 54.000 -0.065 0.000 1.040 859 D CB 0.884 41.667 40.800 -0.028 0.000 1.175 859 D HN 0.481 nan 8.370 nan 0.000 0.584 860 G N -1.002 107.796 108.800 -0.002 0.000 2.479 860 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.220 860 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.220 860 G C 1.350 176.284 174.900 0.056 0.000 1.115 860 G CA 0.678 45.798 45.100 0.033 0.000 0.757 860 G HN 0.413 nan 8.290 nan 0.000 0.560 861 S N -0.459 115.267 115.700 0.045 0.000 2.561 861 S HA 0.282 4.752 4.470 -0.000 0.000 0.225 861 S C 1.914 176.569 174.600 0.090 0.000 0.977 861 S CA 1.096 59.333 58.200 0.062 0.000 0.926 861 S CB -0.277 62.953 63.200 0.049 0.000 0.769 861 S HN 1.233 nan 8.310 nan 0.000 0.533 862 G N 1.172 110.036 108.800 0.106 0.000 2.143 862 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.248 862 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.248 862 G C -0.229 174.787 174.900 0.193 0.000 0.991 862 G CA -0.104 45.127 45.100 0.219 0.000 0.689 862 G HN 0.547 nan 8.290 nan 0.000 0.522 863 Q N -0.648 119.200 119.800 0.079 0.000 2.243 863 Q HA 0.608 4.948 4.340 -0.000 0.000 0.252 863 Q C 0.182 176.192 176.000 0.016 0.000 0.909 863 Q CA -0.269 55.582 55.803 0.080 0.000 0.922 863 Q CB 1.714 30.495 28.738 0.073 0.000 1.215 863 Q HN 0.485 nan 8.270 nan 0.000 0.427 864 M N 1.860 121.509 119.600 0.081 0.000 2.078 864 M HA 0.502 4.982 4.480 -0.000 0.000 0.320 864 M C -1.494 174.904 176.300 0.162 0.000 0.969 864 M CA -0.452 54.882 55.300 0.058 0.000 0.929 864 M CB 1.110 33.748 32.600 0.062 0.000 1.504 864 M HN 0.679 nan 8.290 nan 0.000 0.419 865 A N 7.343 130.227 122.820 0.108 0.000 2.253 865 A HA 0.601 4.921 4.320 -0.000 0.000 0.316 865 A C -0.477 177.146 177.584 0.065 0.000 1.327 865 A CA -0.743 51.355 52.037 0.103 0.000 0.917 865 A CB 0.099 19.145 19.000 0.076 0.000 1.162 865 A HN 0.894 nan 8.150 nan 0.000 0.535 866 I N 2.019 122.611 120.570 0.037 0.000 2.395 866 I HA 0.291 4.461 4.170 -0.000 0.000 0.289 866 I C 0.003 176.011 176.117 -0.181 0.000 1.023 866 I CA 0.071 61.289 61.300 -0.136 0.000 1.350 866 I CB 1.319 39.254 38.000 -0.108 0.000 1.409 866 I HN 0.430 nan 8.210 nan 0.000 0.507 867 T N 5.773 120.172 114.554 -0.259 0.000 2.963 867 T HA 0.332 4.682 4.350 -0.000 0.000 0.328 867 T C -0.279 174.206 174.700 -0.359 0.000 1.048 867 T CA -0.292 61.648 62.100 -0.267 0.000 1.033 867 T CB 1.249 70.056 68.868 -0.102 0.000 1.010 867 T HN 0.235 nan 8.240 nan 0.000 0.469 868 V N 3.820 123.370 119.914 -0.607 0.000 2.407 868 V HA 0.439 4.558 4.120 -0.000 0.000 0.278 868 V C -0.264 175.582 176.094 -0.415 0.000 1.037 868 V CA -0.538 61.386 62.300 -0.625 0.000 0.900 868 V CB 1.586 32.684 31.823 -1.208 0.000 0.983 868 V HN 0.824 nan 8.190 nan 0.000 0.459 869 D N 3.249 123.593 120.400 -0.093 0.000 2.375 869 D HA 0.416 5.056 4.640 -0.000 0.000 0.259 869 D C -0.553 175.861 176.300 0.189 0.000 1.235 869 D CA -0.118 53.942 54.000 0.101 0.000 0.924 869 D CB 1.686 42.576 40.800 0.151 0.000 1.143 869 D HN 0.292 nan 8.370 nan 0.000 0.529 870 V N 1.733 121.810 119.914 0.272 0.000 2.686 870 V HA 0.347 4.467 4.120 -0.000 0.000 0.295 870 V C 0.409 176.640 176.094 0.227 0.000 1.057 870 V CA -0.383 62.088 62.300 0.284 0.000 1.012 870 V CB 1.709 33.719 31.823 0.311 0.000 1.006 870 V HN 0.415 nan 8.190 nan 0.000 0.477 871 E N 1.734 122.052 120.200 0.197 0.000 2.199 871 E HA 0.601 4.951 4.350 -0.000 0.000 0.265 871 E C -1.655 175.032 176.600 0.144 0.000 0.882 871 E CA -0.440 56.048 56.400 0.147 0.000 0.759 871 E CB 2.189 31.969 29.700 0.133 0.000 1.148 871 E HN 0.482 nan 8.360 nan 0.000 0.412 872 V N 2.482 122.467 119.914 0.117 0.000 2.448 872 V HA 0.459 4.578 4.120 -0.000 0.000 0.295 872 V C 0.138 176.266 176.094 0.057 0.000 1.025 872 V CA -1.083 61.291 62.300 0.122 0.000 0.859 872 V CB 1.451 33.365 31.823 0.151 0.000 0.988 872 V HN 0.859 nan 8.190 nan 0.000 0.431 873 A N 3.453 126.285 122.820 0.020 0.000 2.580 873 A HA 0.219 4.539 4.320 -0.000 0.000 0.244 873 A C 1.778 179.371 177.584 0.015 0.000 1.045 873 A CA 0.781 52.819 52.037 0.002 0.000 0.761 873 A CB 0.172 19.151 19.000 -0.034 0.000 0.962 873 A HN 1.426 nan 8.150 nan 0.000 0.512 874 S N 1.824 117.532 115.700 0.013 0.000 2.365 874 S HA -0.198 4.272 4.470 -0.000 0.000 0.225 874 S C 1.036 175.660 174.600 0.041 0.000 1.039 874 S CA 1.602 59.809 58.200 0.011 0.000 1.033 874 S CB -0.462 62.747 63.200 0.014 0.000 0.887 874 S HN 0.837 nan 8.310 nan 0.000 0.447 875 D N 0.792 121.222 120.400 0.050 0.000 2.504 875 D HA 0.135 4.775 4.640 -0.000 0.000 0.243 875 D C 0.059 176.421 176.300 0.102 0.000 1.203 875 D CA 0.053 54.096 54.000 0.072 0.000 0.847 875 D CB -0.389 40.443 40.800 0.053 0.000 0.973 875 D HN 0.285 nan 8.370 nan 0.000 0.490 876 T N 1.098 115.734 114.554 0.138 0.000 2.841 876 T HA 0.380 4.729 4.350 -0.000 0.000 0.283 876 T C -2.783 172.143 174.700 0.376 0.000 1.000 876 T CA -2.032 60.202 62.100 0.224 0.000 0.977 876 T CB 1.618 70.586 68.868 0.168 0.000 0.979 876 T HN -0.180 nan 8.240 nan 0.000 0.446 877 P HA 0.038 nan 4.420 nan 0.000 0.256 877 P C -0.465 177.340 177.300 0.842 0.000 1.173 877 P CA 0.041 63.462 63.100 0.535 0.000 0.768 877 P CB -0.244 31.666 31.700 0.350 0.000 0.758 878 H N 4.170 123.585 119.070 0.575 0.000 3.177 878 H HA -0.025 4.531 4.556 -0.000 0.000 0.313 878 H C -1.868 173.815 175.328 0.593 0.000 0.983 878 H CA -1.012 55.336 56.048 0.499 0.000 1.358 878 H CB -1.264 28.734 29.762 0.394 0.000 1.294 878 H HN 0.368 nan 8.280 nan 0.000 0.587 879 P HA 0.133 nan 4.420 nan 0.000 0.285 879 P C 0.370 177.545 177.300 -0.207 0.000 1.259 879 P CA -0.300 62.828 63.100 0.047 0.000 0.794 879 P CB 1.211 32.832 31.700 -0.132 0.000 0.940 880 A N 4.389 126.811 122.820 -0.663 0.000 2.009 880 A HA -0.196 4.124 4.320 -0.000 0.000 0.222 880 A C 1.026 178.265 177.584 -0.574 0.000 1.175 880 A CA 1.804 53.444 52.037 -0.663 0.000 0.651 880 A CB -0.727 17.666 19.000 -1.012 0.000 0.815 880 A HN 0.798 nan 8.150 nan 0.000 0.459 881 R N -3.927 116.268 120.500 -0.509 0.000 2.832 881 R HA 0.692 5.032 4.340 -0.000 0.000 0.283 881 R C -1.822 174.277 176.300 -0.335 0.000 0.998 881 R CA -0.866 54.937 56.100 -0.495 0.000 0.843 881 R CB 0.418 30.343 30.300 -0.625 0.000 1.332 881 R HN 0.100 nan 8.270 nan 0.000 0.490 882 I N 0.653 121.050 120.570 -0.289 0.000 2.560 882 I HA 0.633 4.803 4.170 -0.000 0.000 0.283 882 I C -0.445 175.457 176.117 -0.358 0.000 1.115 882 I CA -0.237 60.933 61.300 -0.216 0.000 1.066 882 I CB 1.944 39.885 38.000 -0.099 0.000 1.221 882 I HN 0.997 nan 8.210 nan 0.000 0.450 883 G N 5.852 114.425 108.800 -0.379 0.000 2.578 883 G HA2 0.779 4.739 3.960 -0.000 0.000 0.302 883 G HA3 0.779 4.739 3.960 -0.000 0.000 0.302 883 G C -1.894 172.863 174.900 -0.237 0.000 1.243 883 G CA -0.607 44.294 45.100 -0.333 0.000 0.843 883 G HN 0.345 nan 8.290 nan 0.000 0.486 884 L N 0.437 121.549 121.223 -0.185 0.000 2.465 884 L HA 0.679 5.019 4.340 -0.000 0.000 0.257 884 L C -0.918 175.852 176.870 -0.166 0.000 0.988 884 L CA -1.123 53.616 54.840 -0.167 0.000 0.827 884 L CB 2.485 44.505 42.059 -0.065 0.000 1.397 884 L HN 0.825 nan 8.230 nan 0.000 0.410 885 N N 0.731 119.356 118.700 -0.126 0.000 2.525 885 N HA 0.791 5.531 4.740 -0.000 0.000 0.270 885 N C -1.298 174.233 175.510 0.035 0.000 1.321 885 N CA -0.444 52.574 53.050 -0.053 0.000 0.797 885 N CB 2.709 41.180 38.487 -0.026 0.000 1.529 885 N HN 0.953 nan 8.380 nan 0.000 0.491 886 C N -1.425 117.928 119.300 0.088 0.000 3.321 886 C HA 0.549 5.009 4.460 -0.000 0.000 0.329 886 C C -0.892 173.967 174.990 -0.219 0.000 1.394 886 C CA -0.825 58.208 59.018 0.024 0.000 1.291 886 C CB 1.126 28.874 27.740 0.014 0.000 1.606 886 C HN 0.836 nan 8.230 nan 0.000 0.463 887 Q N 1.506 120.964 119.800 -0.569 0.000 2.431 887 Q HA 0.553 4.893 4.340 -0.000 0.000 0.249 887 Q C -0.855 174.847 176.000 -0.496 0.000 1.025 887 Q CA -0.381 54.819 55.803 -1.005 0.000 0.835 887 Q CB 0.667 28.382 28.738 -1.705 0.000 1.207 887 Q HN 0.777 nan 8.270 nan 0.000 0.490 888 L N 2.952 123.979 121.223 -0.327 0.000 2.453 888 L HA 0.090 4.430 4.340 -0.000 0.000 0.272 888 L C 1.309 178.070 176.870 -0.182 0.000 1.182 888 L CA -0.120 54.624 54.840 -0.160 0.000 0.858 888 L CB 0.501 42.545 42.059 -0.026 0.000 1.120 888 L HN 0.796 nan 8.230 nan 0.000 0.474 889 A N 2.898 125.634 122.820 -0.141 0.000 1.898 889 A HA -0.139 4.181 4.320 -0.000 0.000 0.216 889 A C 1.228 178.759 177.584 -0.088 0.000 1.181 889 A CA 0.771 52.729 52.037 -0.132 0.000 0.620 889 A CB -0.243 18.681 19.000 -0.128 0.000 0.819 889 A HN 0.818 nan 8.150 nan 0.000 0.442 890 Q N -0.678 119.091 119.800 -0.051 0.000 2.535 890 Q HA 0.422 4.762 4.340 -0.000 0.000 0.228 890 Q C -1.052 174.939 176.000 -0.016 0.000 1.062 890 Q CA 0.426 56.203 55.803 -0.043 0.000 0.967 890 Q CB 0.767 29.482 28.738 -0.039 0.000 1.273 890 Q HN 0.180 nan 8.270 nan 0.000 0.554 891 V N 2.353 122.238 119.914 -0.049 0.000 2.559 891 V HA 0.636 4.756 4.120 -0.000 0.000 0.289 891 V C -0.666 175.391 176.094 -0.061 0.000 1.036 891 V CA -0.129 62.180 62.300 0.015 0.000 0.887 891 V CB 0.994 32.822 31.823 0.009 0.000 1.022 891 V HN 0.957 nan 8.190 nan 0.000 0.442 892 A N 3.533 126.259 122.820 -0.158 0.000 2.274 892 A HA 0.817 5.137 4.320 -0.000 0.000 0.297 892 A C 0.762 178.382 177.584 0.060 0.000 1.191 892 A CA -0.139 51.804 52.037 -0.156 0.000 0.889 892 A CB 0.609 19.362 19.000 -0.412 0.000 1.294 892 A HN 0.649 nan 8.150 nan 0.000 0.506 893 E N -0.462 119.769 120.200 0.052 0.000 2.431 893 E HA 0.157 4.507 4.350 -0.000 0.000 0.200 893 E C 0.309 176.979 176.600 0.117 0.000 0.995 893 E CA 0.503 56.948 56.400 0.074 0.000 0.915 893 E CB 0.325 30.048 29.700 0.038 0.000 0.930 893 E HN 0.524 nan 8.360 nan 0.000 0.496 894 R N -0.671 119.923 120.500 0.156 0.000 2.869 894 R HA 0.665 5.005 4.340 -0.000 0.000 0.263 894 R C -0.942 175.540 176.300 0.303 0.000 1.066 894 R CA -0.877 55.338 56.100 0.191 0.000 0.960 894 R CB 2.236 32.619 30.300 0.137 0.000 1.221 894 R HN -0.236 nan 8.270 nan 0.000 0.474 895 V N 0.940 121.035 119.914 0.302 0.000 2.888 895 V HA 0.460 4.580 4.120 -0.000 0.000 0.309 895 V C -0.905 175.448 176.094 0.431 0.000 1.114 895 V CA -0.933 61.586 62.300 0.364 0.000 0.940 895 V CB 2.219 34.205 31.823 0.272 0.000 1.021 895 V HN 0.744 nan 8.190 nan 0.000 0.426 896 N N 2.973 121.942 118.700 0.448 0.000 2.542 896 N HA 0.387 5.127 4.740 -0.000 0.000 0.288 896 N C -1.504 174.280 175.510 0.456 0.000 1.115 896 N CA -0.395 52.899 53.050 0.405 0.000 0.924 896 N CB 2.364 40.965 38.487 0.190 0.000 1.526 896 N HN 0.849 nan 8.380 nan 0.000 0.515 897 W N 3.241 124.614 121.300 0.121 0.000 3.032 897 W HA 0.730 5.390 4.660 -0.000 0.000 0.341 897 W C -1.785 174.768 176.519 0.056 0.000 1.202 897 W CA -1.070 56.338 57.345 0.105 0.000 1.132 897 W CB 0.903 30.464 29.460 0.168 0.000 1.465 897 W HN 0.212 nan 8.180 nan 0.000 0.576 898 L N 3.112 124.386 121.223 0.086 0.000 2.316 898 L HA 0.884 5.224 4.340 -0.000 0.000 0.280 898 L C 0.070 177.063 176.870 0.205 0.000 1.006 898 L CA 0.309 55.074 54.840 -0.124 0.000 0.836 898 L CB 0.890 42.921 42.059 -0.045 0.000 1.221 898 L HN 0.983 nan 8.230 nan 0.000 0.418 899 G N 3.352 112.212 108.800 0.100 0.000 2.327 899 G HA2 0.184 4.143 3.960 -0.000 0.000 0.291 899 G HA3 0.184 4.143 3.960 -0.000 0.000 0.291 899 G C -1.621 173.599 174.900 0.533 0.000 1.290 899 G CA -1.127 44.309 45.100 0.559 0.000 0.857 899 G HN 0.493 nan 8.290 nan 0.000 0.520 900 L N 0.738 122.235 121.223 0.457 0.000 2.499 900 L HA 0.555 4.895 4.340 -0.000 0.000 0.273 900 L C 1.196 178.105 176.870 0.064 0.000 1.195 900 L CA 0.932 55.909 54.840 0.229 0.000 0.882 900 L CB 0.071 42.189 42.059 0.099 0.000 1.133 900 L HN 1.358 nan 8.230 nan 0.000 0.483 901 G N 2.530 111.091 108.800 -0.397 0.000 2.348 901 G HA2 0.294 4.253 3.960 -0.000 0.000 0.296 901 G HA3 0.294 4.253 3.960 -0.000 0.000 0.296 901 G C -2.756 171.253 174.900 -1.484 0.000 1.258 901 G CA -0.241 44.350 45.100 -0.849 0.000 0.868 901 G HN 0.290 nan 8.290 nan 0.000 0.488 902 P HA 0.067 nan 4.420 nan 0.000 0.224 902 P C 0.434 177.545 177.300 -0.315 0.000 1.157 902 P CA 0.667 63.235 63.100 -0.886 0.000 0.799 902 P CB 0.236 31.598 31.700 -0.564 0.000 0.809 903 Q N 0.942 120.553 119.800 -0.316 0.000 2.417 903 Q HA 0.071 4.411 4.340 -0.000 0.000 0.241 903 Q C 0.431 176.327 176.000 -0.173 0.000 1.008 903 Q CA -0.324 55.366 55.803 -0.188 0.000 0.901 903 Q CB 0.612 29.263 28.738 -0.145 0.000 1.259 903 Q HN 0.236 nan 8.270 nan 0.000 0.489 904 E N 1.793 121.907 120.200 -0.144 0.000 2.708 904 E HA -0.167 4.183 4.350 -0.000 0.000 0.260 904 E C -1.066 175.490 176.600 -0.073 0.000 0.937 904 E CA 0.378 56.700 56.400 -0.130 0.000 0.953 904 E CB 0.195 29.879 29.700 -0.027 0.000 0.915 904 E HN 0.620 nan 8.360 nan 0.000 0.487 905 N N 2.908 121.497 118.700 -0.185 0.000 2.371 905 N HA 0.279 5.019 4.740 -0.000 0.000 0.280 905 N C -1.891 173.420 175.510 -0.332 0.000 1.084 905 N CA -0.687 52.303 53.050 -0.101 0.000 0.892 905 N CB 0.649 39.072 38.487 -0.106 0.000 1.653 905 N HN 0.217 nan 8.380 nan 0.000 0.480 906 Y N 0.546 120.768 120.300 -0.130 0.000 2.567 906 Y HA 0.521 5.071 4.550 -0.000 0.000 0.333 906 Y C -1.499 174.384 175.900 -0.029 0.000 1.106 906 Y CA -2.147 55.884 58.100 -0.115 0.000 1.157 906 Y CB 1.353 39.744 38.460 -0.116 0.000 1.277 906 Y HN 0.437 nan 8.280 nan 0.000 0.490 907 P HA -0.167 nan 4.420 nan 0.000 0.216 907 P C 0.406 177.891 177.300 0.307 0.000 1.150 907 P CA 1.990 65.254 63.100 0.274 0.000 0.843 907 P CB 0.181 32.116 31.700 0.392 0.000 0.787 908 D N -1.859 118.522 120.400 -0.031 0.000 2.342 908 D HA -0.004 4.636 4.640 -0.000 0.000 0.221 908 D C 0.667 176.831 176.300 -0.227 0.000 1.101 908 D CA -0.058 53.573 54.000 -0.614 0.000 0.837 908 D CB -0.265 39.709 40.800 -1.376 0.000 0.938 908 D HN 0.136 nan 8.370 nan 0.000 0.508 909 R N 0.973 121.460 120.500 -0.021 0.000 2.684 909 R HA 0.255 4.595 4.340 -0.000 0.000 0.252 909 R C -0.837 175.504 176.300 0.068 0.000 1.628 909 R CA -0.268 55.851 56.100 0.032 0.000 1.622 909 R CB -0.133 30.179 30.300 0.020 0.000 1.418 909 R HN 0.137 nan 8.270 nan 0.000 0.697 910 L N -1.222 120.049 121.223 0.079 0.000 3.606 910 L HA 0.358 4.698 4.340 -0.000 0.000 0.336 910 L C 1.043 177.951 176.870 0.064 0.000 1.300 910 L CA -0.093 54.782 54.840 0.059 0.000 1.050 910 L CB 0.539 42.628 42.059 0.050 0.000 1.439 910 L HN 0.127 nan 8.230 nan 0.000 0.621 911 T N -2.918 111.692 114.554 0.093 0.000 2.904 911 T HA 0.078 4.428 4.350 -0.000 0.000 0.267 911 T C 1.749 176.417 174.700 -0.053 0.000 1.059 911 T CA 1.180 63.335 62.100 0.092 0.000 1.137 911 T CB -0.174 68.809 68.868 0.191 0.000 0.879 911 T HN 0.391 nan 8.240 nan 0.000 0.467 912 A N 1.586 124.400 122.820 -0.009 0.000 2.067 912 A HA 0.653 4.972 4.320 -0.000 0.000 0.217 912 A C 1.621 179.271 177.584 0.111 0.000 1.156 912 A CA 0.445 52.450 52.037 -0.052 0.000 0.683 912 A CB -0.914 18.232 19.000 0.243 0.000 0.808 912 A HN 0.807 nan 8.150 nan 0.000 0.455 913 A N -0.570 122.256 122.820 0.009 0.000 2.488 913 A HA 0.416 4.736 4.320 -0.000 0.000 0.249 913 A C 0.143 177.717 177.584 -0.017 0.000 1.083 913 A CA -0.080 51.925 52.037 -0.053 0.000 0.768 913 A CB -0.400 18.568 19.000 -0.053 0.000 1.017 913 A HN 0.488 nan 8.150 nan 0.000 0.496 914 C N 1.717 120.987 119.300 -0.050 0.000 2.391 914 C HA 0.492 4.952 4.460 -0.000 0.000 0.339 914 C C 0.192 175.282 174.990 0.167 0.000 1.205 914 C CA -0.464 58.592 59.018 0.063 0.000 1.937 914 C CB 0.536 28.332 27.740 0.093 0.000 2.341 914 C HN 0.792 nan 8.230 nan 0.000 0.516 915 F N 3.279 123.119 119.950 -0.184 0.000 2.494 915 F HA 0.425 4.952 4.527 -0.000 0.000 0.351 915 F C 0.070 175.667 175.800 -0.338 0.000 1.205 915 F CA 0.461 58.241 58.000 -0.367 0.000 1.125 915 F CB -0.681 37.638 39.000 -1.135 0.000 1.268 915 F HN 0.741 nan 8.300 nan 0.000 0.593 916 D N 2.793 122.813 120.400 -0.634 0.000 3.057 916 D HA 0.346 4.985 4.640 -0.000 0.000 0.328 916 D C -1.392 173.865 176.300 -1.738 0.000 1.317 916 D CA -0.843 52.336 54.000 -1.368 0.000 0.973 916 D CB 1.127 41.091 40.800 -1.394 0.000 1.424 916 D HN 0.441 nan 8.370 nan 0.000 0.569 917 R N 0.461 119.912 120.500 -1.747 0.000 2.229 917 R HA 0.549 4.888 4.340 -0.000 0.000 0.328 917 R C -1.536 173.855 176.300 -1.515 0.000 1.009 917 R CA -0.434 54.881 56.100 -1.309 0.000 0.864 917 R CB 0.408 30.261 30.300 -0.745 0.000 1.085 917 R HN 0.360 nan 8.270 nan 0.000 0.453 918 W N 3.447 124.204 121.300 -0.905 0.000 2.683 918 W HA 0.303 4.962 4.660 -0.000 0.000 0.329 918 W C -0.820 175.326 176.519 -0.622 0.000 1.037 918 W CA -0.883 55.883 57.345 -0.964 0.000 1.232 918 W CB 1.723 30.184 29.460 -1.665 0.000 1.390 918 W HN 0.433 nan 8.180 nan 0.000 0.465 919 D N 3.782 124.135 120.400 -0.078 0.000 2.471 919 D HA 0.604 5.244 4.640 -0.000 0.000 0.245 919 D C -1.158 175.236 176.300 0.157 0.000 1.116 919 D CA -0.091 53.955 54.000 0.076 0.000 0.853 919 D CB 0.769 41.579 40.800 0.017 0.000 1.123 919 D HN 0.373 nan 8.370 nan 0.000 0.540 920 L N 3.511 124.897 121.223 0.272 0.000 2.359 920 L HA 0.588 4.928 4.340 -0.000 0.000 0.256 920 L C -2.305 174.682 176.870 0.196 0.000 1.026 920 L CA -2.471 52.505 54.840 0.226 0.000 0.828 920 L CB 2.791 45.023 42.059 0.288 0.000 1.406 920 L HN 0.220 nan 8.230 nan 0.000 0.413 921 P HA 0.045 nan 4.420 nan 0.000 0.271 921 P C 0.548 177.920 177.300 0.120 0.000 1.220 921 P CA -0.242 62.927 63.100 0.114 0.000 0.768 921 P CB 0.771 32.519 31.700 0.079 0.000 0.848 922 L N 4.198 125.498 121.223 0.128 0.000 2.103 922 L HA -0.327 4.013 4.340 -0.000 0.000 0.215 922 L C 2.240 179.148 176.870 0.065 0.000 1.080 922 L CA 2.774 57.674 54.840 0.100 0.000 0.764 922 L CB -1.324 40.806 42.059 0.117 0.000 0.890 922 L HN 0.456 nan 8.230 nan 0.000 0.435 923 S N -0.972 114.767 115.700 0.065 0.000 2.368 923 S HA -0.277 4.193 4.470 -0.000 0.000 0.226 923 S C 1.627 176.279 174.600 0.088 0.000 1.044 923 S CA 1.494 59.736 58.200 0.070 0.000 1.062 923 S CB -1.216 62.020 63.200 0.059 0.000 0.931 923 S HN 0.576 nan 8.310 nan 0.000 0.440 924 D N 1.410 121.850 120.400 0.066 0.000 2.411 924 D HA 0.003 4.643 4.640 -0.000 0.000 0.226 924 D C 1.144 177.455 176.300 0.019 0.000 0.988 924 D CA 0.630 54.655 54.000 0.041 0.000 0.938 924 D CB -0.291 40.536 40.800 0.046 0.000 0.883 924 D HN 0.402 nan 8.370 nan 0.000 0.525 925 M N -0.604 119.016 119.600 0.033 0.000 2.563 925 M HA 0.077 4.556 4.480 -0.000 0.000 0.231 925 M C -0.081 176.236 176.300 0.027 0.000 1.136 925 M CA -0.093 55.192 55.300 -0.024 0.000 1.026 925 M CB -0.885 31.690 32.600 -0.041 0.000 1.597 925 M HN -0.033 nan 8.290 nan 0.000 0.495 926 Y N -0.289 119.952 120.300 -0.098 0.000 2.425 926 Y HA 0.471 5.021 4.550 -0.000 0.000 0.344 926 Y C -0.718 175.074 175.900 -0.179 0.000 0.969 926 Y CA -0.935 57.102 58.100 -0.106 0.000 1.052 926 Y CB 1.439 39.890 38.460 -0.015 0.000 1.215 926 Y HN -0.113 nan 8.280 nan 0.000 0.451 927 T N 8.945 123.029 114.554 -0.784 0.000 2.929 927 T HA 0.237 4.587 4.350 -0.000 0.000 0.331 927 T C -2.485 171.348 174.700 -1.446 0.000 1.120 927 T CA -1.401 60.096 62.100 -1.006 0.000 0.973 927 T CB 0.686 68.966 68.868 -0.981 0.000 1.036 927 T HN 0.461 nan 8.240 nan 0.000 0.502 928 P HA -0.011 nan 4.420 nan 0.000 0.290 928 P C -0.518 176.556 177.300 -0.377 0.000 1.584 928 P CA -0.351 62.174 63.100 -0.958 0.000 0.813 928 P CB -0.765 30.579 31.700 -0.593 0.000 1.775 929 Y N -0.402 119.780 120.300 -0.197 0.000 2.805 929 Y HA -0.108 4.442 4.550 -0.000 0.000 0.331 929 Y C 2.295 178.216 175.900 0.036 0.000 1.241 929 Y CA -0.254 57.830 58.100 -0.026 0.000 1.546 929 Y CB -0.456 37.933 38.460 -0.118 0.000 1.248 929 Y HN -0.149 nan 8.280 nan 0.000 0.559 930 V N 3.646 123.748 119.914 0.314 0.000 2.252 930 V HA -0.337 3.783 4.120 -0.000 0.000 0.255 930 V C 0.816 177.048 176.094 0.231 0.000 1.071 930 V CA 1.837 64.291 62.300 0.256 0.000 1.050 930 V CB -0.631 31.365 31.823 0.288 0.000 0.654 930 V HN 0.643 nan 8.190 nan 0.000 0.448 931 F N 3.342 123.322 119.950 0.050 0.000 2.391 931 F HA 0.506 5.033 4.527 -0.000 0.000 0.359 931 F C -2.312 173.495 175.800 0.011 0.000 1.122 931 F CA -3.259 54.731 58.000 -0.018 0.000 1.120 931 F CB 1.022 39.918 39.000 -0.174 0.000 1.142 931 F HN -0.006 nan 8.300 nan 0.000 0.483 932 P HA 0.354 nan 4.420 nan 0.000 0.284 932 P C -1.243 175.763 177.300 -0.490 0.000 1.253 932 P CA -0.193 62.672 63.100 -0.392 0.000 0.800 932 P CB 1.739 33.256 31.700 -0.304 0.000 0.961 933 S N 0.228 115.825 115.700 -0.171 0.000 2.683 933 S HA 0.377 4.847 4.470 -0.000 0.000 0.269 933 S C -0.836 173.764 174.600 -0.001 0.000 1.165 933 S CA -0.869 57.276 58.200 -0.091 0.000 0.840 933 S CB 0.364 63.552 63.200 -0.019 0.000 1.169 933 S HN 0.367 nan 8.310 nan 0.000 0.490 934 E N 1.156 121.370 120.200 0.024 0.000 2.481 934 E HA 0.403 4.753 4.350 -0.000 0.000 0.263 934 E C 0.063 176.719 176.600 0.094 0.000 0.992 934 E CA 1.089 57.523 56.400 0.056 0.000 0.938 934 E CB -0.150 29.609 29.700 0.099 0.000 0.933 934 E HN 0.839 nan 8.360 nan 0.000 0.453 935 N N 0.762 119.526 118.700 0.106 0.000 3.547 935 N HA 0.394 5.134 4.740 -0.000 0.000 0.347 935 N C 0.566 176.108 175.510 0.052 0.000 1.533 935 N CA -0.706 52.424 53.050 0.132 0.000 0.848 935 N CB -0.186 38.300 38.487 -0.002 0.000 2.112 935 N HN 0.651 nan 8.380 nan 0.000 0.527 936 G N -0.781 107.992 108.800 -0.045 0.000 2.230 936 G HA2 -0.340 3.620 3.960 -0.000 0.000 0.270 936 G HA3 -0.340 3.620 3.960 -0.000 0.000 0.270 936 G C 0.126 174.815 174.900 -0.351 0.000 0.987 936 G CA 1.135 46.132 45.100 -0.171 0.000 0.664 936 G HN 0.668 nan 8.290 nan 0.000 0.539 937 L N 0.012 120.989 121.223 -0.411 0.000 2.498 937 L HA 0.366 4.706 4.340 -0.000 0.000 0.293 937 L C 0.844 177.186 176.870 -0.881 0.000 1.271 937 L CA 0.846 55.169 54.840 -0.862 0.000 0.831 937 L CB 0.348 41.481 42.059 -1.543 0.000 1.091 937 L HN 0.405 nan 8.230 nan 0.000 0.535 938 R N 2.658 122.558 120.500 -0.999 0.000 2.603 938 R HA 0.317 4.657 4.340 -0.000 0.000 0.280 938 R C -1.429 174.477 176.300 -0.656 0.000 1.185 938 R CA -0.720 54.887 56.100 -0.823 0.000 1.039 938 R CB 0.171 29.867 30.300 -1.005 0.000 1.247 938 R HN 0.558 nan 8.270 nan 0.000 0.413 939 C N 0.253 119.325 119.300 -0.381 0.000 2.347 939 C HA 0.665 5.125 4.460 -0.000 0.000 0.366 939 C C 1.398 176.335 174.990 -0.089 0.000 1.241 939 C CA 0.633 59.511 59.018 -0.234 0.000 2.360 939 C CB 1.008 28.650 27.740 -0.164 0.000 2.290 939 C HN 1.053 nan 8.230 nan 0.000 0.587 940 G N 2.481 111.228 108.800 -0.088 0.000 2.352 940 G HA2 -0.152 3.808 3.960 -0.000 0.000 0.283 940 G HA3 -0.152 3.808 3.960 -0.000 0.000 0.283 940 G C -0.212 174.692 174.900 0.007 0.000 0.946 940 G CA 0.329 45.405 45.100 -0.041 0.000 1.317 940 G HN 0.821 nan 8.290 nan 0.000 0.478 941 T N 0.846 115.282 114.554 -0.197 0.000 2.797 941 T HA 0.543 4.893 4.350 -0.000 0.000 0.279 941 T C 1.432 175.825 174.700 -0.512 0.000 0.991 941 T CA -0.721 61.230 62.100 -0.248 0.000 0.979 941 T CB 1.512 70.248 68.868 -0.220 0.000 0.943 941 T HN 0.459 nan 8.240 nan 0.000 0.444 942 R N 1.379 121.829 120.500 -0.084 0.000 2.307 942 R HA 0.274 4.614 4.340 -0.000 0.000 0.200 942 R C 0.410 176.825 176.300 0.190 0.000 0.893 942 R CA 0.003 56.135 56.100 0.053 0.000 1.042 942 R CB 1.059 31.461 30.300 0.171 0.000 1.059 942 R HN 0.548 nan 8.270 nan 0.000 0.530 943 E N 1.491 121.815 120.200 0.207 0.000 2.367 943 E HA 0.131 4.481 4.350 -0.000 0.000 0.292 943 E C -1.970 174.817 176.600 0.313 0.000 0.900 943 E CA -0.443 56.133 56.400 0.293 0.000 0.807 943 E CB 1.586 31.416 29.700 0.217 0.000 1.337 943 E HN -0.065 nan 8.360 nan 0.000 0.394 944 L N 4.722 126.169 121.223 0.373 0.000 2.313 944 L HA 0.565 4.905 4.340 -0.000 0.000 0.283 944 L C -1.490 175.615 176.870 0.391 0.000 1.013 944 L CA -0.384 54.593 54.840 0.228 0.000 0.816 944 L CB 1.242 43.191 42.059 -0.184 0.000 1.236 944 L HN 0.324 nan 8.230 nan 0.000 0.419 945 N N 4.947 123.843 118.700 0.326 0.000 2.446 945 N HA 0.292 5.032 4.740 -0.000 0.000 0.265 945 N C -1.810 173.944 175.510 0.406 0.000 0.975 945 N CA -0.148 53.097 53.050 0.326 0.000 0.928 945 N CB 1.528 40.140 38.487 0.207 0.000 1.160 945 N HN 0.609 nan 8.380 nan 0.000 0.495 946 Y N 1.735 122.220 120.300 0.309 0.000 2.373 946 Y HA 0.430 4.980 4.550 -0.000 0.000 0.327 946 Y C 0.661 176.704 175.900 0.238 0.000 1.036 946 Y CA -0.014 58.246 58.100 0.267 0.000 1.265 946 Y CB 0.408 39.044 38.460 0.294 0.000 1.108 946 Y HN 0.851 nan 8.280 nan 0.000 0.471 947 G N 6.399 115.112 108.800 -0.144 0.000 2.552 947 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.265 947 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.265 947 G C -1.590 173.297 174.900 -0.021 0.000 1.234 947 G CA -0.180 44.832 45.100 -0.146 0.000 0.944 947 G HN 0.485 nan 8.290 nan 0.000 0.568 948 P HA -0.053 nan 4.420 nan 0.000 0.221 948 P C 0.715 177.882 177.300 -0.222 0.000 1.145 948 P CA 1.652 64.663 63.100 -0.149 0.000 0.795 948 P CB -0.245 31.303 31.700 -0.253 0.000 0.775 949 H N -0.467 118.554 119.070 -0.082 0.000 2.607 949 H HA 0.436 4.992 4.556 -0.000 0.000 0.367 949 H C 0.707 175.877 175.328 -0.263 0.000 1.181 949 H CA 0.213 56.143 56.048 -0.197 0.000 1.402 949 H CB 0.427 29.994 29.762 -0.325 0.000 1.474 949 H HN 0.010 nan 8.280 nan 0.000 0.596 950 Q N 2.296 121.875 119.800 -0.368 0.000 2.429 950 Q HA 0.133 4.473 4.340 -0.000 0.000 0.247 950 Q C -1.837 173.998 176.000 -0.276 0.000 0.915 950 Q CA -0.600 55.088 55.803 -0.192 0.000 0.971 950 Q CB 1.134 29.889 28.738 0.029 0.000 1.468 950 Q HN 0.622 nan 8.270 nan 0.000 0.439 951 W N 2.953 124.245 121.300 -0.013 0.000 2.497 951 W HA 0.704 5.364 4.660 -0.000 0.000 0.359 951 W C 0.124 176.714 176.519 0.118 0.000 1.131 951 W CA -0.854 56.449 57.345 -0.069 0.000 1.280 951 W CB 1.900 31.152 29.460 -0.347 0.000 1.319 951 W HN 0.571 nan 8.180 nan 0.000 0.626 952 R N -0.551 120.185 120.500 0.393 0.000 2.643 952 R HA 0.592 4.932 4.340 -0.000 0.000 0.269 952 R C -0.046 176.507 176.300 0.421 0.000 1.037 952 R CA -0.109 56.235 56.100 0.407 0.000 0.894 952 R CB 2.250 32.713 30.300 0.271 0.000 1.238 952 R HN 0.780 nan 8.270 nan 0.000 0.459 953 G N 0.941 110.022 108.800 0.468 0.000 2.384 953 G HA2 -0.009 3.951 3.960 -0.000 0.000 0.113 953 G HA3 -0.009 3.951 3.960 -0.000 0.000 0.113 953 G C -1.788 173.322 174.900 0.351 0.000 1.224 953 G CA -0.316 45.023 45.100 0.399 0.000 1.126 953 G HN 0.496 nan 8.290 nan 0.000 0.461 954 D N 0.290 120.928 120.400 0.396 0.000 2.375 954 D HA 0.611 5.251 4.640 -0.000 0.000 0.241 954 D C -0.884 175.474 176.300 0.096 0.000 1.361 954 D CA -0.216 53.848 54.000 0.108 0.000 0.995 954 D CB 0.782 41.635 40.800 0.088 0.000 1.312 954 D HN 0.613 nan 8.370 nan 0.000 0.576 955 F N 0.016 119.946 119.950 -0.033 0.000 2.923 955 F HA 0.612 5.139 4.527 -0.000 0.000 0.323 955 F C -1.350 174.388 175.800 -0.104 0.000 1.189 955 F CA -1.031 56.883 58.000 -0.143 0.000 0.930 955 F CB 0.596 39.501 39.000 -0.159 0.000 1.414 955 F HN -0.164 nan 8.300 nan 0.000 0.496 956 Q N 1.717 121.525 119.800 0.014 0.000 2.337 956 Q HA 0.618 4.958 4.340 -0.000 0.000 0.266 956 Q C -1.299 174.723 176.000 0.036 0.000 1.023 956 Q CA -0.438 55.294 55.803 -0.119 0.000 0.829 956 Q CB 2.597 31.190 28.738 -0.241 0.000 1.306 956 Q HN 0.811 nan 8.270 nan 0.000 0.449 957 F N -0.500 119.310 119.950 -0.232 0.000 2.643 957 F HA 0.805 5.332 4.527 -0.000 0.000 0.314 957 F C -1.452 174.127 175.800 -0.368 0.000 1.096 957 F CA -1.048 56.797 58.000 -0.257 0.000 0.953 957 F CB 1.751 40.639 39.000 -0.187 0.000 1.345 957 F HN 0.572 nan 8.300 nan 0.000 0.468 958 N N 1.335 119.948 118.700 -0.145 0.000 2.396 958 N HA 0.696 5.436 4.740 -0.000 0.000 0.275 958 N C -2.156 173.322 175.510 -0.054 0.000 1.218 958 N CA -0.727 52.190 53.050 -0.222 0.000 0.812 958 N CB 2.467 40.801 38.487 -0.255 0.000 1.592 958 N HN 1.126 nan 8.380 nan 0.000 0.480 959 I N 0.605 121.125 120.570 -0.084 0.000 2.667 959 I HA 0.589 4.759 4.170 -0.000 0.000 0.288 959 I C -1.281 174.766 176.117 -0.117 0.000 1.267 959 I CA 0.059 61.278 61.300 -0.134 0.000 1.055 959 I CB 1.245 39.089 38.000 -0.261 0.000 1.294 959 I HN 1.039 nan 8.210 nan 0.000 0.429 960 S N 6.457 122.107 115.700 -0.084 0.000 3.070 960 S HA 0.592 5.062 4.470 -0.000 0.000 0.320 960 S C 0.016 174.530 174.600 -0.142 0.000 1.215 960 S CA -0.928 57.216 58.200 -0.093 0.000 0.956 960 S CB 1.731 64.942 63.200 0.017 0.000 1.337 960 S HN 0.624 nan 8.310 nan 0.000 0.639 961 R N -0.315 119.955 120.500 -0.383 0.000 2.432 961 R HA 0.274 4.614 4.340 -0.000 0.000 0.260 961 R C -1.016 174.993 176.300 -0.485 0.000 0.935 961 R CA 0.180 55.995 56.100 -0.474 0.000 1.080 961 R CB -0.205 29.677 30.300 -0.697 0.000 1.155 961 R HN 0.596 nan 8.270 nan 0.000 0.531 962 Y N 0.964 121.244 120.300 -0.033 0.000 2.328 962 Y HA 0.218 4.768 4.550 -0.000 0.000 0.336 962 Y C 0.705 176.400 175.900 -0.342 0.000 0.960 962 Y CA -1.221 56.785 58.100 -0.156 0.000 1.134 962 Y CB 1.441 39.756 38.460 -0.241 0.000 1.166 962 Y HN -0.080 nan 8.280 nan 0.000 0.464 963 S N 2.250 117.657 115.700 -0.488 0.000 2.576 963 S HA 0.037 4.507 4.470 -0.000 0.000 0.276 963 S C 0.965 175.246 174.600 -0.531 0.000 1.339 963 S CA -0.736 56.793 58.200 -1.118 0.000 1.039 963 S CB 1.144 63.615 63.200 -1.214 0.000 0.902 963 S HN 0.751 nan 8.310 nan 0.000 0.516 964 Q N 1.218 120.709 119.800 -0.515 0.000 2.112 964 Q HA -0.248 4.092 4.340 -0.000 0.000 0.206 964 Q C 2.116 177.980 176.000 -0.226 0.000 0.987 964 Q CA 1.915 57.552 55.803 -0.276 0.000 0.858 964 Q CB -0.517 28.092 28.738 -0.214 0.000 0.905 964 Q HN 0.923 nan 8.270 nan 0.000 0.420 965 Q N 0.512 120.151 119.800 -0.267 0.000 2.197 965 Q HA -0.239 4.101 4.340 -0.000 0.000 0.207 965 Q C 2.066 177.981 176.000 -0.143 0.000 0.984 965 Q CA 1.539 57.240 55.803 -0.170 0.000 0.869 965 Q CB 0.058 28.711 28.738 -0.142 0.000 0.906 965 Q HN 0.454 nan 8.270 nan 0.000 0.426 966 Q N -0.085 119.613 119.800 -0.170 0.000 1.994 966 Q HA -0.136 4.204 4.340 -0.000 0.000 0.198 966 Q C 2.346 178.250 176.000 -0.160 0.000 0.976 966 Q CA 0.909 56.630 55.803 -0.137 0.000 0.828 966 Q CB -0.079 28.576 28.738 -0.138 0.000 0.894 966 Q HN 0.407 nan 8.270 nan 0.000 0.432 967 L N 0.484 121.596 121.223 -0.185 0.000 1.987 967 L HA -0.321 4.019 4.340 -0.000 0.000 0.230 967 L C 2.731 179.475 176.870 -0.209 0.000 1.089 967 L CA 2.065 56.782 54.840 -0.207 0.000 0.802 967 L CB -0.619 41.341 42.059 -0.164 0.000 0.905 967 L HN 0.487 nan 8.230 nan 0.000 0.441 968 M N -0.736 118.767 119.600 -0.162 0.000 2.623 968 M HA -0.195 4.285 4.480 -0.000 0.000 0.258 968 M C 1.193 177.418 176.300 -0.126 0.000 1.067 968 M CA 1.654 56.868 55.300 -0.142 0.000 1.068 968 M CB -0.032 32.502 32.600 -0.112 0.000 1.409 968 M HN 0.239 nan 8.290 nan 0.000 0.504 969 E N -0.665 119.463 120.200 -0.120 0.000 2.562 969 E HA 0.129 4.479 4.350 -0.000 0.000 0.214 969 E C -0.534 176.025 176.600 -0.068 0.000 0.979 969 E CA -0.052 56.302 56.400 -0.077 0.000 1.002 969 E CB 0.944 30.611 29.700 -0.055 0.000 1.048 969 E HN 0.339 nan 8.360 nan 0.000 0.488 970 T N 0.103 114.589 114.554 -0.113 0.000 2.794 970 T HA 0.113 4.463 4.350 -0.000 0.000 0.280 970 T C 1.153 175.814 174.700 -0.065 0.000 0.987 970 T CA -0.417 61.630 62.100 -0.088 0.000 0.993 970 T CB 1.743 70.533 68.868 -0.131 0.000 0.939 970 T HN 0.014 nan 8.240 nan 0.000 0.449 971 S N 1.680 117.440 115.700 0.100 0.000 2.406 971 S HA -0.001 4.469 4.470 -0.000 0.000 0.224 971 S C 0.309 175.148 174.600 0.397 0.000 1.030 971 S CA 0.475 58.872 58.200 0.327 0.000 0.958 971 S CB -0.333 63.186 63.200 0.532 0.000 0.811 971 S HN 0.744 nan 8.310 nan 0.000 0.489 972 H N 0.903 120.013 119.070 0.067 0.000 2.600 972 H HA 0.545 5.101 4.556 -0.000 0.000 0.357 972 H C 0.989 176.366 175.328 0.080 0.000 1.106 972 H CA -0.666 55.483 56.048 0.169 0.000 1.193 972 H CB 1.488 31.428 29.762 0.296 0.000 1.594 972 H HN 0.251 nan 8.280 nan 0.000 0.526 973 R N 1.348 121.972 120.500 0.207 0.000 2.174 973 R HA -0.254 4.086 4.340 -0.000 0.000 0.253 973 R C 0.796 177.158 176.300 0.103 0.000 1.165 973 R CA 2.384 58.545 56.100 0.102 0.000 0.984 973 R CB -0.767 29.598 30.300 0.109 0.000 0.873 973 R HN 0.870 nan 8.270 nan 0.000 0.456 974 H N -0.430 118.650 119.070 0.018 0.000 2.553 974 H HA 0.216 4.772 4.556 -0.000 0.000 0.269 974 H C 1.109 176.367 175.328 -0.117 0.000 1.011 974 H CA 0.187 56.210 56.048 -0.043 0.000 1.150 974 H CB 0.178 29.914 29.762 -0.044 0.000 1.339 974 H HN 0.228 nan 8.280 nan 0.000 0.604 975 L N 0.777 121.752 121.223 -0.413 0.000 2.766 975 L HA 0.279 4.619 4.340 -0.000 0.000 0.242 975 L C 0.130 176.912 176.870 -0.148 0.000 1.136 975 L CA -0.211 54.378 54.840 -0.419 0.000 0.933 975 L CB 0.357 42.134 42.059 -0.470 0.000 1.241 975 L HN 0.283 nan 8.230 nan 0.000 0.522 976 L N 0.863 122.008 121.223 -0.130 0.000 2.453 976 L HA 0.287 4.627 4.340 -0.000 0.000 0.261 976 L C -0.106 176.806 176.870 0.069 0.000 1.179 976 L CA -0.202 54.560 54.840 -0.130 0.000 0.813 976 L CB 0.708 42.532 42.059 -0.391 0.000 1.110 976 L HN 0.236 nan 8.230 nan 0.000 0.466 977 H N 0.457 119.626 119.070 0.164 0.000 3.087 977 H HA 0.380 4.936 4.556 -0.000 0.000 0.348 977 H C -1.188 174.220 175.328 0.133 0.000 1.092 977 H CA -1.061 55.063 56.048 0.127 0.000 1.285 977 H CB 1.102 30.877 29.762 0.022 0.000 1.875 977 H HN 0.657 nan 8.280 nan 0.000 0.512 978 A N 4.495 127.276 122.820 -0.065 0.000 2.496 978 A HA 0.101 4.420 4.320 -0.000 0.000 0.278 978 A C 0.675 178.181 177.584 -0.129 0.000 1.137 978 A CA -0.174 51.653 52.037 -0.351 0.000 0.805 978 A CB -0.379 18.420 19.000 -0.335 0.000 1.077 978 A HN 0.776 nan 8.150 nan 0.000 0.513 979 E N 2.102 122.230 120.200 -0.120 0.000 2.665 979 E HA -0.093 4.257 4.350 -0.000 0.000 0.269 979 E C 0.731 177.321 176.600 -0.016 0.000 1.432 979 E CA 0.134 56.559 56.400 0.042 0.000 1.176 979 E CB 0.362 30.172 29.700 0.184 0.000 0.966 979 E HN 0.798 nan 8.360 nan 0.000 0.581 980 E N 0.075 120.266 120.200 -0.015 0.000 2.000 980 E HA -0.173 4.177 4.350 -0.000 0.000 0.199 980 E C 1.290 177.820 176.600 -0.117 0.000 1.011 980 E CA 1.481 57.841 56.400 -0.066 0.000 0.836 980 E CB -0.254 29.402 29.700 -0.073 0.000 0.778 980 E HN 0.514 nan 8.360 nan 0.000 0.462 981 G N -1.053 107.629 108.800 -0.196 0.000 3.411 981 G HA2 0.175 4.135 3.960 -0.000 0.000 0.186 981 G HA3 0.175 4.135 3.960 -0.000 0.000 0.186 981 G C -0.430 174.359 174.900 -0.186 0.000 1.766 981 G CA -0.103 44.884 45.100 -0.189 0.000 0.971 981 G HN 0.160 nan 8.290 nan 0.000 0.590 982 T N 0.410 114.839 114.554 -0.208 0.000 2.840 982 T HA 0.358 4.708 4.350 -0.000 0.000 0.287 982 T C -1.452 173.105 174.700 -0.239 0.000 0.991 982 T CA -0.183 61.833 62.100 -0.141 0.000 0.964 982 T CB 1.260 70.160 68.868 0.053 0.000 0.954 982 T HN 0.312 nan 8.240 nan 0.000 0.438 983 W N 3.094 124.298 121.300 -0.160 0.000 2.316 983 W HA 0.659 5.319 4.660 -0.000 0.000 0.321 983 W C -0.309 176.090 176.519 -0.201 0.000 1.203 983 W CA -0.621 56.632 57.345 -0.154 0.000 1.214 983 W CB 0.857 30.235 29.460 -0.135 0.000 1.169 983 W HN 0.362 nan 8.180 nan 0.000 0.561 984 L N 4.454 125.764 121.223 0.145 0.000 2.436 984 L HA 0.449 4.789 4.340 -0.000 0.000 0.268 984 L C -1.193 175.618 176.870 -0.098 0.000 0.974 984 L CA -0.407 54.373 54.840 -0.098 0.000 0.826 984 L CB 1.378 43.262 42.059 -0.292 0.000 1.291 984 L HN 0.360 nan 8.230 nan 0.000 0.406 985 N N 6.364 124.976 118.700 -0.148 0.000 2.442 985 N HA 0.512 5.252 4.740 -0.000 0.000 0.274 985 N C -1.314 174.078 175.510 -0.196 0.000 1.002 985 N CA -0.293 52.663 53.050 -0.157 0.000 0.910 985 N CB 2.196 40.610 38.487 -0.121 0.000 1.244 985 N HN 0.445 nan 8.380 nan 0.000 0.492 986 I N 1.806 122.215 120.570 -0.268 0.000 2.362 986 I HA 0.252 4.422 4.170 -0.000 0.000 0.289 986 I C -0.414 175.551 176.117 -0.254 0.000 0.994 986 I CA -0.589 60.534 61.300 -0.294 0.000 1.158 986 I CB 1.296 38.957 38.000 -0.565 0.000 1.315 986 I HN 0.198 nan 8.210 nan 0.000 0.451 987 D N 4.427 124.710 120.400 -0.195 0.000 2.350 987 D HA 0.337 4.977 4.640 -0.000 0.000 0.245 987 D C 0.715 176.752 176.300 -0.439 0.000 1.036 987 D CA -0.411 53.410 54.000 -0.299 0.000 0.848 987 D CB 2.471 43.191 40.800 -0.133 0.000 1.307 987 D HN 0.692 nan 8.370 nan 0.000 0.469 988 G N 0.322 108.609 108.800 -0.854 0.000 2.833 988 G HA2 0.214 4.174 3.960 -0.000 0.000 0.210 988 G HA3 0.214 4.174 3.960 -0.000 0.000 0.210 988 G C -0.093 173.856 174.900 -1.585 0.000 1.139 988 G CA 0.057 44.431 45.100 -1.211 0.000 0.771 988 G HN 0.346 nan 8.290 nan 0.000 0.535 989 F N -0.736 119.039 119.950 -0.292 0.000 2.635 989 F HA 0.480 5.007 4.527 -0.000 0.000 0.314 989 F C -0.859 174.837 175.800 -0.174 0.000 1.119 989 F CA -1.290 56.595 58.000 -0.192 0.000 1.000 989 F CB 1.588 40.416 39.000 -0.286 0.000 1.278 989 F HN -0.100 nan 8.300 nan 0.000 0.446 990 H N 3.567 122.640 119.070 0.005 0.000 2.717 990 H HA 0.544 5.100 4.556 -0.000 0.000 0.366 990 H C -1.084 174.277 175.328 0.054 0.000 1.132 990 H CA -0.776 55.259 56.048 -0.022 0.000 1.180 990 H CB 2.533 32.260 29.762 -0.059 0.000 1.678 990 H HN 0.898 nan 8.280 nan 0.000 0.537 991 M N 2.711 122.303 119.600 -0.014 0.000 2.255 991 M HA 0.432 4.912 4.480 -0.000 0.000 0.336 991 M C 0.094 176.526 176.300 0.220 0.000 1.135 991 M CA -0.174 55.176 55.300 0.083 0.000 1.145 991 M CB 0.910 33.467 32.600 -0.071 0.000 1.473 991 M HN 0.610 nan 8.290 nan 0.000 0.462 992 G N 2.073 110.990 108.800 0.195 0.000 2.664 992 G HA2 0.289 4.249 3.960 -0.000 0.000 0.242 992 G HA3 0.289 4.249 3.960 -0.000 0.000 0.242 992 G C 0.598 175.489 174.900 -0.015 0.000 1.225 992 G CA -0.346 44.821 45.100 0.112 0.000 0.849 992 G HN 1.016 nan 8.290 nan 0.000 0.581 993 I N -0.860 119.651 120.570 -0.097 0.000 3.035 993 I HA 0.384 4.554 4.170 -0.000 0.000 0.271 993 I C 1.251 177.273 176.117 -0.158 0.000 1.190 993 I CA 0.634 61.831 61.300 -0.173 0.000 1.472 993 I CB -0.508 37.303 38.000 -0.315 0.000 1.116 993 I HN 0.949 nan 8.210 nan 0.000 0.443 994 G N 1.302 110.011 108.800 -0.152 0.000 2.645 994 G HA2 0.030 3.990 3.960 -0.000 0.000 0.246 994 G HA3 0.030 3.990 3.960 -0.000 0.000 0.246 994 G C 0.550 175.397 174.900 -0.088 0.000 1.322 994 G CA 0.040 45.074 45.100 -0.110 0.000 0.898 994 G HN 1.427 nan 8.290 nan 0.000 0.573 995 G N -2.294 106.468 108.800 -0.063 0.000 2.559 995 G HA2 0.071 4.031 3.960 -0.000 0.000 0.202 995 G HA3 0.071 4.031 3.960 -0.000 0.000 0.202 995 G C 0.566 175.472 174.900 0.010 0.000 0.992 995 G CA 0.948 46.023 45.100 -0.041 0.000 0.764 995 G HN 0.950 nan 8.290 nan 0.000 0.525 996 D N 1.194 121.605 120.400 0.018 0.000 2.271 996 D HA 0.117 4.757 4.640 -0.000 0.000 0.207 996 D C 1.158 177.431 176.300 -0.046 0.000 0.983 996 D CA 2.121 56.183 54.000 0.104 0.000 0.878 996 D CB 0.196 41.068 40.800 0.121 0.000 0.920 996 D HN 0.820 nan 8.370 nan 0.000 0.479 997 D N -3.514 116.670 120.400 -0.361 0.000 2.992 997 D HA 0.280 4.920 4.640 -0.000 0.000 0.349 997 D C -0.752 175.061 176.300 -0.811 0.000 1.393 997 D CA -0.673 52.704 54.000 -1.039 0.000 0.887 997 D CB 0.441 40.126 40.800 -1.858 0.000 1.447 997 D HN -0.257 nan 8.370 nan 0.000 0.524 998 S N -1.408 113.571 115.700 -1.202 0.000 3.073 998 S HA 0.244 4.714 4.470 -0.000 0.000 0.252 998 S C -0.796 173.830 174.600 0.044 0.000 0.953 998 S CA -0.614 57.442 58.200 -0.241 0.000 1.105 998 S CB -0.290 63.091 63.200 0.302 0.000 1.070 998 S HN 0.594 nan 8.310 nan 0.000 0.574 999 W N 1.483 122.766 121.300 -0.027 0.000 2.284 999 W HA 0.626 5.286 4.660 -0.000 0.000 0.334 999 W C 0.091 176.585 176.519 -0.042 0.000 0.917 999 W CA -0.385 56.940 57.345 -0.034 0.000 1.621 999 W CB -0.507 28.853 29.460 -0.168 0.000 1.129 999 W HN 0.201 nan 8.180 nan 0.000 0.528 1000 S N -1.094 114.514 115.700 -0.153 0.000 2.587 1000 S HA 0.554 5.024 4.470 -0.000 0.000 0.269 1000 S C -3.170 171.360 174.600 -0.117 0.000 1.154 1000 S CA -1.468 56.669 58.200 -0.105 0.000 0.824 1000 S CB 1.346 64.505 63.200 -0.068 0.000 1.118 1000 S HN -0.198 nan 8.310 nan 0.000 0.462 1001 P HA 0.206 nan 4.420 nan 0.000 0.264 1001 P C 0.525 177.831 177.300 0.010 0.000 1.236 1001 P CA -0.046 63.050 63.100 -0.007 0.000 0.811 1001 P CB 0.330 31.955 31.700 -0.124 0.000 0.840 1002 S N 1.220 116.930 115.700 0.018 0.000 2.557 1002 S HA 0.117 4.587 4.470 -0.000 0.000 0.223 1002 S C 0.525 175.146 174.600 0.035 0.000 0.969 1002 S CA -0.331 57.864 58.200 -0.007 0.000 0.927 1002 S CB -0.197 62.963 63.200 -0.067 0.000 0.806 1002 S HN 0.131 nan 8.310 nan 0.000 0.489 1003 V N 4.132 124.112 119.914 0.111 0.000 2.455 1003 V HA 0.359 4.479 4.120 -0.000 0.000 0.273 1003 V C 0.725 176.912 176.094 0.156 0.000 1.045 1003 V CA -0.371 61.987 62.300 0.097 0.000 0.976 1003 V CB 0.742 32.576 31.823 0.017 0.000 0.993 1003 V HN 0.663 nan 8.190 nan 0.000 0.475 1004 S N 4.692 120.495 115.700 0.173 0.000 2.580 1004 S HA 0.469 4.939 4.470 -0.000 0.000 0.274 1004 S C 1.461 176.205 174.600 0.240 0.000 1.329 1004 S CA -0.077 58.248 58.200 0.209 0.000 1.036 1004 S CB 1.577 64.880 63.200 0.170 0.000 0.919 1004 S HN 1.092 nan 8.310 nan 0.000 0.515 1005 A N 2.460 125.374 122.820 0.158 0.000 1.923 1005 A HA -0.291 4.029 4.320 -0.000 0.000 0.222 1005 A C 1.860 179.510 177.584 0.109 0.000 1.258 1005 A CA 2.448 54.563 52.037 0.130 0.000 0.670 1005 A CB -1.565 17.488 19.000 0.087 0.000 0.834 1005 A HN 1.018 nan 8.150 nan 0.000 0.470 1006 E N -1.266 118.969 120.200 0.059 0.000 2.396 1006 E HA -0.102 4.248 4.350 -0.000 0.000 0.200 1006 E C 0.667 176.993 176.600 -0.457 0.000 1.023 1006 E CA 1.140 57.428 56.400 -0.187 0.000 0.857 1006 E CB -0.378 29.142 29.700 -0.300 0.000 0.775 1006 E HN 0.747 nan 8.360 nan 0.000 0.525 1007 F N 0.579 120.576 119.950 0.078 0.000 2.698 1007 F HA 0.250 4.777 4.527 -0.000 0.000 0.304 1007 F C 0.213 176.054 175.800 0.067 0.000 1.108 1007 F CA -0.433 57.611 58.000 0.074 0.000 1.263 1007 F CB 0.477 39.510 39.000 0.055 0.000 1.013 1007 F HN -0.176 nan 8.300 nan 0.000 0.532 1008 Q N 1.722 121.640 119.800 0.196 0.000 2.340 1008 Q HA 0.374 4.714 4.340 -0.000 0.000 0.259 1008 Q C -0.162 176.003 176.000 0.275 0.000 0.964 1008 Q CA -0.488 55.440 55.803 0.209 0.000 0.900 1008 Q CB 1.926 30.808 28.738 0.241 0.000 1.228 1008 Q HN 0.284 nan 8.270 nan 0.000 0.449 1009 L N 2.768 124.123 121.223 0.221 0.000 2.583 1009 L HA -0.032 4.307 4.340 -0.000 0.000 0.280 1009 L C 0.874 177.902 176.870 0.264 0.000 1.261 1009 L CA 0.182 55.130 54.840 0.180 0.000 1.164 1009 L CB -0.752 41.231 42.059 -0.126 0.000 1.402 1009 L HN 0.661 nan 8.230 nan 0.000 0.443 1010 S N -0.888 114.978 115.700 0.277 0.000 2.578 1010 S HA 0.183 4.653 4.470 -0.000 0.000 0.231 1010 S C 1.729 176.328 174.600 -0.003 0.000 0.994 1010 S CA 0.113 58.334 58.200 0.036 0.000 0.956 1010 S CB 0.797 64.151 63.200 0.257 0.000 0.870 1010 S HN 0.542 nan 8.310 nan 0.000 0.494 1011 A N 2.001 124.829 122.820 0.012 0.000 1.948 1011 A HA 0.329 4.649 4.320 -0.000 0.000 0.220 1011 A C 2.199 179.585 177.584 -0.330 0.000 1.177 1011 A CA 1.931 53.767 52.037 -0.334 0.000 0.636 1011 A CB -1.375 17.106 19.000 -0.866 0.000 0.815 1011 A HN 1.588 nan 8.150 nan 0.000 0.449 1012 G N -2.002 106.669 108.800 -0.216 0.000 2.420 1012 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.221 1012 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.221 1012 G C 0.415 175.251 174.900 -0.107 0.000 1.117 1012 G CA 0.268 45.302 45.100 -0.109 0.000 0.657 1012 G HN 0.726 nan 8.290 nan 0.000 0.512 1013 R N -0.353 119.961 120.500 -0.310 0.000 2.575 1013 R HA 0.668 5.008 4.340 -0.000 0.000 0.293 1013 R C -1.537 174.463 176.300 -0.500 0.000 0.983 1013 R CA -0.606 55.369 56.100 -0.207 0.000 0.887 1013 R CB 1.666 31.897 30.300 -0.114 0.000 1.184 1013 R HN 0.240 nan 8.270 nan 0.000 0.445 1014 Y N 0.001 120.289 120.300 -0.019 0.000 2.576 1014 Y HA 0.410 4.960 4.550 -0.000 0.000 0.346 1014 Y C -0.322 175.738 175.900 0.267 0.000 1.018 1014 Y CA -0.893 57.180 58.100 -0.044 0.000 1.050 1014 Y CB 2.223 40.497 38.460 -0.311 0.000 1.280 1014 Y HN 0.617 nan 8.280 nan 0.000 0.474 1015 H N 1.533 120.891 119.070 0.480 0.000 2.947 1015 H HA 0.578 5.134 4.556 -0.000 0.000 0.354 1015 H C -1.938 173.772 175.328 0.636 0.000 1.085 1015 H CA -0.802 55.505 56.048 0.432 0.000 1.253 1015 H CB 1.256 31.153 29.762 0.226 0.000 1.757 1015 H HN 0.561 nan 8.280 nan 0.000 0.523 1016 Y N 1.584 121.817 120.300 -0.110 0.000 2.581 1016 Y HA 0.583 5.133 4.550 -0.000 0.000 0.345 1016 Y C -1.530 174.210 175.900 -0.267 0.000 1.036 1016 Y CA -1.211 56.850 58.100 -0.064 0.000 1.042 1016 Y CB 1.666 40.124 38.460 -0.003 0.000 1.289 1016 Y HN 0.684 nan 8.280 nan 0.000 0.471 1017 Q N 2.252 122.081 119.800 0.049 0.000 2.304 1017 Q HA 0.663 5.002 4.340 -0.000 0.000 0.270 1017 Q C -1.758 174.300 176.000 0.097 0.000 1.035 1017 Q CA -0.648 55.158 55.803 0.005 0.000 0.781 1017 Q CB 2.782 31.596 28.738 0.125 0.000 1.261 1017 Q HN 0.839 nan 8.270 nan 0.000 0.444 1018 L N 2.010 123.258 121.223 0.041 0.000 2.309 1018 L HA 0.755 5.095 4.340 -0.000 0.000 0.261 1018 L C -1.263 175.684 176.870 0.129 0.000 1.021 1018 L CA -1.125 53.764 54.840 0.081 0.000 0.823 1018 L CB 2.392 44.463 42.059 0.021 0.000 1.366 1018 L HN 0.370 nan 8.230 nan 0.000 0.423 1019 V N 1.589 121.613 119.914 0.183 0.000 2.462 1019 V HA 0.253 4.373 4.120 -0.000 0.000 0.288 1019 V C -1.372 174.887 176.094 0.276 0.000 1.020 1019 V CA -0.427 62.003 62.300 0.216 0.000 0.857 1019 V CB 1.934 33.865 31.823 0.179 0.000 1.013 1019 V HN 0.568 nan 8.190 nan 0.000 0.431 1020 W N 6.989 128.341 121.300 0.086 0.000 2.316 1020 W HA 0.692 5.352 4.660 -0.000 0.000 0.308 1020 W C -0.017 176.499 176.519 -0.005 0.000 1.106 1020 W CA -1.010 56.330 57.345 -0.009 0.000 1.262 1020 W CB 1.277 30.779 29.460 0.070 0.000 1.233 1020 W HN 0.764 nan 8.180 nan 0.000 0.447 1021 C N 5.490 125.062 119.300 0.453 0.000 3.259 1021 C HA 0.830 5.290 4.460 -0.000 0.000 0.328 1021 C C -0.416 174.597 174.990 0.038 0.000 1.425 1021 C CA -0.325 58.793 59.018 0.168 0.000 1.465 1021 C CB 1.386 29.197 27.740 0.118 0.000 1.890 1021 C HN 0.657 nan 8.230 nan 0.000 0.450 1022 Q N 0.551 120.314 119.800 -0.062 0.000 3.353 1022 Q HA 0.838 5.178 4.340 -0.000 0.000 0.302 1022 Q C -1.076 174.863 176.000 -0.101 0.000 0.991 1022 Q CA -0.518 55.181 55.803 -0.173 0.000 0.827 1022 Q CB 1.222 29.799 28.738 -0.268 0.000 1.694 1022 Q HN 0.808 nan 8.270 nan 0.000 0.458 1023 K N 0.000 120.324 120.400 -0.126 0.000 2.780 1023 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 1023 K CA 0.000 56.239 56.287 -0.080 0.000 0.838 1023 K CB 0.000 32.464 32.500 -0.060 0.000 1.064 1023 K HN 0.000 nan 8.250 nan 0.000 0.543