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 1dp0_1_C DATA FIRST_RESID 13 DATA SEQUENCE RRDWENPGVT QLNRLAAHPP FASWRNSEEA RTDRPSQQLR SLNGEWRFAW DATA SEQUENCE FPAPEAVPES WLECDLPEAD TVVVPSNWQM HGYDAPIYTN VTYPITVNPP DATA SEQUENCE FVPTENPTGC YSLTFNVDES WLQEGQTRII FDGVNSAFHL WCNGRWVGYG DATA SEQUENCE QDSRLPSEFD LSAFLRAGEN RLAVMVLRWS DGSYLEDQDM WRMSGIFRDV DATA SEQUENCE SLLHKPTTQI SDFHVATRFN DDFSRAVLEA EVQMCGELRD YLRVTVSLWQ DATA SEQUENCE GETQVASGTA PFGGEIIDER GGYADRVTLR LNVENPKLWS AEIPNLYRAV DATA SEQUENCE VELHTADGTL IEAEACDVGF REVRIENGLL LLNGKPLLIR GVNRHEHHPL DATA SEQUENCE HGQVMDEQTM VQDILLMKQN NFNAVRCSHY PNHPLWYTLC DRYGLYVVDE DATA SEQUENCE ANIETHGMVP MNRLTDDPRW LPAMSERVTR MVQRDRNHPS VIIWSLGNES DATA SEQUENCE GHGANHDALY RWIKSVDPSR PVQYEGGGAD TTATDIICPM YARVDEDQPF DATA SEQUENCE PAVPKWSIKK WLSLPGETRP LILCEYAHAM GNSLGGFAKY WQAFRQYPRL DATA SEQUENCE QGGFVWDWVD QSLIKYDENG NPWSAYGGDF GDTPNDRQFC MNGLVFADRT DATA SEQUENCE PHPALTEAKH QQQFFQFRLS GQTIEVTSEY LFRHSDNELL HWMVALDGKP DATA SEQUENCE LASGEVPLDV APQGKQLIEL PELPQPESAG QLWLTVRVVQ PNATAWSEAG DATA SEQUENCE HISAWQQWRL AENLSVTLPA ASHAIPHLTT SEMDFCIELG NKRWQFNRQS DATA SEQUENCE GFLSQMWIGD KKQLLTPLRD QFTRAPLDND IGVSEATRID PNAWVERWKA DATA SEQUENCE AGHYQAEAAL LQCTADTLAD AVLITTAHAW QHQGKTLFIS RKTYRIDGSG DATA SEQUENCE QMAITVDVEV ASDTPHPARI GLNCQLAQVA ERVNWLGLGP QENYPDRLTA DATA SEQUENCE ACFDRWDLPL SDMYTPYVFP SENGLRCGTR ELNYGPHQWR GDFQFNISRY DATA SEQUENCE SQQQLMETSH RHLLHAEEGT WLNIDGFHMG IGGDDSWSPS VSAEFQLSAG DATA SEQUENCE 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 13 R HA 0.000 nan 4.340 nan 0.000 0.208 13 R C 0.000 176.076 176.300 -0.374 0.000 0.893 13 R CA 0.000 55.959 56.100 -0.234 0.000 0.921 13 R CB 0.000 30.169 30.300 -0.218 0.000 0.687 14 R N 1.778 121.928 120.500 -0.583 0.000 3.225 14 R HA -0.178 4.178 4.340 0.026 0.000 0.245 14 R C -0.325 175.418 176.300 -0.929 0.000 0.928 14 R CA 0.825 56.157 56.100 -1.280 0.000 0.632 14 R CB -1.281 28.458 30.300 -0.936 0.000 1.038 14 R HN 0.295 nan 8.270 nan 0.000 0.461 15 D N -0.125 119.928 120.400 -0.578 0.000 2.265 15 D HA -0.177 4.478 4.640 0.026 0.000 0.208 15 D C 1.581 177.783 176.300 -0.163 0.000 0.977 15 D CA 1.615 55.369 54.000 -0.410 0.000 0.871 15 D CB -0.128 40.244 40.800 -0.713 0.000 0.925 15 D HN 0.730 nan 8.370 nan 0.000 0.485 16 W N 1.207 122.523 121.300 0.027 0.000 3.204 16 W HA 0.198 4.873 4.660 0.025 0.000 0.249 16 W C 0.403 177.015 176.519 0.154 0.000 1.322 16 W CA -0.279 57.185 57.345 0.199 0.000 1.593 16 W CB -0.244 29.379 29.460 0.272 0.000 1.122 16 W HN -0.193 nan 8.180 nan 0.000 0.710 17 E N 1.312 121.375 120.200 -0.229 0.000 3.385 17 E HA 0.062 4.427 4.350 0.026 0.000 0.206 17 E C -0.752 175.701 176.600 -0.245 0.000 0.997 17 E CA -0.220 56.084 56.400 -0.160 0.000 1.278 17 E CB -0.184 29.422 29.700 -0.157 0.000 1.165 17 E HN 0.030 nan 8.360 nan 0.000 0.452 18 N N 1.079 119.665 118.700 -0.190 0.000 2.699 18 N HA 0.122 4.877 4.740 0.026 0.000 0.271 18 N C -2.440 172.922 175.510 -0.246 0.000 1.216 18 N CA -1.775 51.126 53.050 -0.249 0.000 0.844 18 N CB 1.487 39.841 38.487 -0.221 0.000 1.462 18 N HN -0.163 nan 8.380 nan 0.000 0.555 19 P HA 0.089 nan 4.420 nan 0.000 0.234 19 P C 1.091 178.153 177.300 -0.398 0.000 1.167 19 P CA 0.545 63.313 63.100 -0.553 0.000 0.763 19 P CB 0.116 30.992 31.700 -1.374 0.000 0.835 20 G N -0.454 108.155 108.800 -0.318 0.000 2.650 20 G HA2 0.054 4.029 3.960 0.026 0.000 0.214 20 G HA3 0.054 4.029 3.960 0.026 0.000 0.214 20 G C 0.269 175.090 174.900 -0.132 0.000 1.136 20 G CA 0.200 45.169 45.100 -0.218 0.000 0.789 20 G HN 0.215 nan 8.290 nan 0.000 0.536 21 V N 1.545 121.397 119.914 -0.104 0.000 2.357 21 V HA 0.284 4.419 4.120 0.026 0.000 0.281 21 V C 0.762 176.912 176.094 0.093 0.000 1.015 21 V CA 0.053 62.344 62.300 -0.015 0.000 0.827 21 V CB 1.252 33.047 31.823 -0.046 0.000 1.018 21 V HN 0.311 nan 8.190 nan 0.000 0.432 22 T N 0.572 115.174 114.554 0.080 0.000 3.054 22 T HA 0.370 4.736 4.350 0.026 0.000 0.255 22 T C 0.240 174.989 174.700 0.082 0.000 1.035 22 T CA 0.070 62.225 62.100 0.091 0.000 0.941 22 T CB 0.258 69.132 68.868 0.010 0.000 1.026 22 T HN 0.703 nan 8.240 nan 0.000 0.533 23 Q N 0.214 120.111 119.800 0.162 0.000 2.721 23 Q HA 0.667 5.023 4.340 0.026 0.000 0.282 23 Q C -2.285 173.850 176.000 0.226 0.000 0.932 23 Q CA -1.049 54.844 55.803 0.149 0.000 0.816 23 Q CB 0.849 29.594 28.738 0.012 0.000 1.506 23 Q HN 0.217 nan 8.270 nan 0.000 0.399 24 L N 1.889 123.271 121.223 0.264 0.000 2.470 24 L HA 0.602 4.957 4.340 0.026 0.000 0.268 24 L C -0.637 176.357 176.870 0.207 0.000 0.964 24 L CA -0.868 54.126 54.840 0.257 0.000 0.839 24 L CB 1.932 44.247 42.059 0.427 0.000 1.276 24 L HN 0.860 nan 8.230 nan 0.000 0.403 25 N N 0.796 119.588 118.700 0.155 0.000 2.800 25 N HA -0.202 4.554 4.740 0.026 0.000 0.250 25 N C 0.161 175.764 175.510 0.155 0.000 1.078 25 N CA 0.827 53.961 53.050 0.140 0.000 0.804 25 N CB -0.805 37.720 38.487 0.064 0.000 1.135 25 N HN 0.659 nan 8.380 nan 0.000 0.565 26 R N 0.782 121.296 120.500 0.023 0.000 2.490 26 R HA 0.446 4.802 4.340 0.026 0.000 0.278 26 R C 0.482 176.649 176.300 -0.222 0.000 1.069 26 R CA -0.355 55.541 56.100 -0.339 0.000 1.080 26 R CB 0.571 30.672 30.300 -0.331 0.000 1.030 26 R HN 0.127 nan 8.270 nan 0.000 0.491 27 L N 2.732 123.791 121.223 -0.274 0.000 2.456 27 L HA 0.365 4.720 4.340 0.026 0.000 0.257 27 L C 0.591 177.412 176.870 -0.081 0.000 1.162 27 L CA -0.696 54.080 54.840 -0.107 0.000 0.808 27 L CB 1.017 43.041 42.059 -0.058 0.000 1.136 27 L HN 0.795 nan 8.230 nan 0.000 0.466 28 A N 1.262 124.076 122.820 -0.010 0.000 2.507 28 A HA 0.451 4.787 4.320 0.026 0.000 0.235 28 A C 0.281 177.870 177.584 0.007 0.000 1.070 28 A CA 0.135 52.174 52.037 0.003 0.000 0.768 28 A CB 0.099 19.126 19.000 0.045 0.000 1.011 28 A HN 0.790 nan 8.150 nan 0.000 0.502 29 A N 1.077 123.858 122.820 -0.065 0.000 2.287 29 A HA 0.727 5.062 4.320 0.026 0.000 0.273 29 A C 0.044 177.534 177.584 -0.156 0.000 1.091 29 A CA 0.423 52.345 52.037 -0.192 0.000 0.817 29 A CB 0.049 18.935 19.000 -0.189 0.000 1.069 29 A HN 2.032 nan 8.150 nan 0.000 0.492 30 H N -2.760 116.162 119.070 -0.248 0.000 2.935 30 H HA 0.586 5.157 4.556 0.026 0.000 0.297 30 H C -3.452 171.587 175.328 -0.481 0.000 1.423 30 H CA -1.644 54.191 56.048 -0.357 0.000 1.161 30 H CB -0.017 29.429 29.762 -0.527 0.000 1.841 30 H HN 0.385 nan 8.280 nan 0.000 0.506 31 P HA 0.222 nan 4.420 nan 0.000 0.274 31 P C -2.586 174.554 177.300 -0.267 0.000 1.256 31 P CA -1.405 61.494 63.100 -0.335 0.000 0.795 31 P CB -0.189 31.233 31.700 -0.463 0.000 1.038 32 P HA 0.032 nan 4.420 nan 0.000 0.260 32 P C -0.805 176.682 177.300 0.311 0.000 1.185 32 P CA 1.163 64.299 63.100 0.060 0.000 0.763 32 P CB -0.181 31.592 31.700 0.122 0.000 0.776 33 F N 1.458 121.518 119.950 0.183 0.000 2.556 33 F HA 0.619 5.161 4.527 0.026 0.000 0.327 33 F C 1.029 176.770 175.800 -0.098 0.000 1.059 33 F CA -1.030 57.020 58.000 0.083 0.000 0.953 33 F CB 2.130 41.131 39.000 0.002 0.000 1.227 33 F HN 0.204 nan 8.300 nan 0.000 0.478 34 A N 0.232 122.992 122.820 -0.099 0.000 2.664 34 A HA 0.236 4.572 4.320 0.026 0.000 0.222 34 A C 0.561 177.861 177.584 -0.472 0.000 1.320 34 A CA 0.385 52.129 52.037 -0.488 0.000 1.029 34 A CB -0.124 18.112 19.000 -1.273 0.000 1.318 34 A HN 0.736 nan 8.150 nan 0.000 0.589 35 S N 0.603 116.135 115.700 -0.281 0.000 3.524 35 S HA -0.149 4.336 4.470 0.026 0.000 0.377 35 S C 0.013 174.546 174.600 -0.111 0.000 0.949 35 S CA 0.415 58.507 58.200 -0.180 0.000 1.264 35 S CB -1.519 61.576 63.200 -0.174 0.000 0.918 35 S HN 0.457 nan 8.310 nan 0.000 0.517 36 W N 1.976 123.257 121.300 -0.030 0.000 2.137 36 W HA 0.238 4.913 4.660 0.025 0.000 0.344 36 W C 1.374 177.874 176.519 -0.033 0.000 1.286 36 W CA -0.534 56.799 57.345 -0.021 0.000 1.240 36 W CB 0.255 29.703 29.460 -0.020 0.000 1.141 36 W HN 0.360 nan 8.180 nan 0.000 0.579 37 R N 1.777 122.406 120.500 0.215 0.000 2.577 37 R HA 0.084 4.439 4.340 0.026 0.000 0.344 37 R C -0.091 176.266 176.300 0.096 0.000 1.037 37 R CA -0.121 56.045 56.100 0.110 0.000 1.102 37 R CB -0.167 30.167 30.300 0.055 0.000 1.313 37 R HN 0.365 nan 8.270 nan 0.000 0.561 38 N N 0.099 118.872 118.700 0.122 0.000 2.430 38 N HA 0.120 4.876 4.740 0.026 0.000 0.290 38 N C -0.156 175.330 175.510 -0.039 0.000 1.063 38 N CA -0.014 53.057 53.050 0.036 0.000 0.883 38 N CB 1.857 40.368 38.487 0.040 0.000 1.465 38 N HN -0.257 nan 8.380 nan 0.000 0.493 39 S N 2.380 118.034 115.700 -0.077 0.000 2.402 39 S HA -0.148 4.338 4.470 0.026 0.000 0.229 39 S C 1.411 175.846 174.600 -0.274 0.000 1.021 39 S CA 1.017 59.127 58.200 -0.149 0.000 0.974 39 S CB -0.000 63.143 63.200 -0.094 0.000 0.800 39 S HN 0.772 nan 8.310 nan 0.000 0.484 40 E N 1.867 121.926 120.200 -0.235 0.000 2.106 40 E HA -0.153 4.212 4.350 0.026 0.000 0.192 40 E C 1.726 178.103 176.600 -0.372 0.000 0.984 40 E CA 1.338 57.557 56.400 -0.301 0.000 0.806 40 E CB -0.230 29.349 29.700 -0.202 0.000 0.750 40 E HN 0.578 nan 8.360 nan 0.000 0.458 41 E N -0.135 119.853 120.200 -0.354 0.000 2.110 41 E HA -0.175 4.190 4.350 0.026 0.000 0.193 41 E C 2.012 177.997 176.600 -1.026 0.000 0.988 41 E CA 1.026 57.155 56.400 -0.452 0.000 0.804 41 E CB -0.214 29.359 29.700 -0.211 0.000 0.745 41 E HN 0.415 nan 8.360 nan 0.000 0.458 42 A N 1.418 123.446 122.820 -1.320 0.000 1.930 42 A HA -0.180 4.155 4.320 0.026 0.000 0.217 42 A C 2.083 179.075 177.584 -0.987 0.000 1.175 42 A CA 1.297 52.228 52.037 -1.842 0.000 0.627 42 A CB -0.392 18.037 19.000 -0.951 0.000 0.815 42 A HN 0.076 nan 8.150 nan 0.000 0.443 43 R N -0.089 120.006 120.500 -0.675 0.000 2.081 43 R HA -0.126 4.230 4.340 0.026 0.000 0.235 43 R C 1.794 177.832 176.300 -0.436 0.000 1.131 43 R CA 2.023 57.781 56.100 -0.571 0.000 0.960 43 R CB -0.357 29.474 30.300 -0.782 0.000 0.856 43 R HN 0.605 nan 8.270 nan 0.000 0.436 44 T N -2.883 111.427 114.554 -0.407 0.000 3.086 44 T HA 0.085 4.450 4.350 0.026 0.000 0.250 44 T C 0.129 174.740 174.700 -0.149 0.000 1.074 44 T CA 0.344 62.298 62.100 -0.243 0.000 0.988 44 T CB 0.186 68.938 68.868 -0.193 0.000 0.988 44 T HN 0.312 nan 8.240 nan 0.000 0.530 45 D N 0.888 121.161 120.400 -0.211 0.000 2.800 45 D HA -0.149 4.507 4.640 0.026 0.000 0.232 45 D C -0.039 176.388 176.300 0.212 0.000 1.137 45 D CA 0.398 54.438 54.000 0.066 0.000 0.718 45 D CB -1.228 39.648 40.800 0.128 0.000 1.084 45 D HN 0.584 nan 8.370 nan 0.000 0.432 46 R N 0.141 120.738 120.500 0.162 0.000 2.560 46 R HA 0.531 4.886 4.340 0.026 0.000 0.270 46 R C -2.090 174.469 176.300 0.432 0.000 1.074 46 R CA -1.401 54.832 56.100 0.221 0.000 1.140 46 R CB 0.364 30.731 30.300 0.112 0.000 1.073 46 R HN 0.035 nan 8.270 nan 0.000 0.527 47 P HA -0.073 nan 4.420 nan 0.000 0.266 47 P C -0.890 176.562 177.300 0.252 0.000 1.193 47 P CA 0.398 63.632 63.100 0.224 0.000 0.770 47 P CB 0.739 32.526 31.700 0.144 0.000 0.836 48 S N 1.668 117.399 115.700 0.052 0.000 2.454 48 S HA 0.120 4.606 4.470 0.026 0.000 0.306 48 S C 0.997 175.606 174.600 0.014 0.000 1.100 48 S CA -0.566 57.594 58.200 -0.066 0.000 1.087 48 S CB 0.482 63.316 63.200 -0.609 0.000 1.019 48 S HN 0.279 nan 8.310 nan 0.000 0.480 49 Q N 2.695 122.542 119.800 0.079 0.000 2.364 49 Q HA -0.101 4.255 4.340 0.026 0.000 0.209 49 Q C 0.859 176.973 176.000 0.189 0.000 0.977 49 Q CA 1.188 57.070 55.803 0.132 0.000 0.885 49 Q CB -0.047 28.772 28.738 0.135 0.000 0.941 49 Q HN 0.709 nan 8.270 nan 0.000 0.464 50 Q N -0.103 119.725 119.800 0.047 0.000 2.444 50 Q HA 0.086 4.441 4.340 0.026 0.000 0.206 50 Q C -0.147 175.896 176.000 0.071 0.000 0.948 50 Q CA 0.234 56.008 55.803 -0.049 0.000 0.946 50 Q CB 0.361 28.989 28.738 -0.184 0.000 1.027 50 Q HN 0.070 nan 8.270 nan 0.000 0.513 51 L N 0.572 121.851 121.223 0.093 0.000 2.388 51 L HA 0.433 4.789 4.340 0.026 0.000 0.267 51 L C -1.208 175.742 176.870 0.133 0.000 0.995 51 L CA -0.346 54.551 54.840 0.095 0.000 0.864 51 L CB 1.021 43.050 42.059 -0.051 0.000 1.216 51 L HN -0.140 nan 8.230 nan 0.000 0.430 52 R N 2.470 123.084 120.500 0.191 0.000 2.604 52 R HA 0.607 4.962 4.340 0.026 0.000 0.287 52 R C -0.545 175.776 176.300 0.037 0.000 0.970 52 R CA -0.735 55.425 56.100 0.100 0.000 0.946 52 R CB 2.024 32.351 30.300 0.045 0.000 1.127 52 R HN 0.646 nan 8.270 nan 0.000 0.473 53 S N 1.937 117.648 115.700 0.019 0.000 2.525 53 S HA 0.292 4.777 4.470 0.026 0.000 0.278 53 S C 0.591 175.186 174.600 -0.008 0.000 1.234 53 S CA -0.647 57.556 58.200 0.004 0.000 1.058 53 S CB 0.568 63.782 63.200 0.023 0.000 0.983 53 S HN 0.552 nan 8.310 nan 0.000 0.495 54 L N 3.601 124.816 121.223 -0.012 0.000 2.769 54 L HA 0.291 4.647 4.340 0.026 0.000 0.240 54 L C 0.182 177.188 176.870 0.227 0.000 1.163 54 L CA -0.343 54.506 54.840 0.015 0.000 0.962 54 L CB -0.257 41.744 42.059 -0.096 0.000 1.258 54 L HN 0.523 nan 8.230 nan 0.000 0.513 55 N N 1.132 119.917 118.700 0.142 0.000 2.415 55 N HA 0.468 5.223 4.740 0.026 0.000 0.248 55 N C 0.699 176.341 175.510 0.220 0.000 1.271 55 N CA 1.020 54.170 53.050 0.167 0.000 0.913 55 N CB 1.203 39.721 38.487 0.052 0.000 1.129 55 N HN 0.277 nan 8.380 nan 0.000 0.444 56 G N 0.227 109.172 108.800 0.241 0.000 2.225 56 G HA2 -0.101 3.875 3.960 0.026 0.000 0.203 56 G HA3 -0.101 3.875 3.960 0.026 0.000 0.203 56 G C -1.521 173.585 174.900 0.343 0.000 1.335 56 G CA -0.770 44.462 45.100 0.220 0.000 1.183 56 G HN 0.479 nan 8.290 nan 0.000 0.488 57 E N 0.072 120.443 120.200 0.285 0.000 2.229 57 E HA 0.489 4.855 4.350 0.026 0.000 0.283 57 E C -0.963 175.881 176.600 0.406 0.000 1.030 57 E CA -0.224 56.364 56.400 0.313 0.000 0.836 57 E CB 1.090 30.893 29.700 0.171 0.000 1.068 57 E HN 0.367 nan 8.360 nan 0.000 0.401 58 W N 1.579 122.969 121.300 0.151 0.000 2.894 58 W HA 0.415 5.091 4.660 0.026 0.000 0.345 58 W C 0.112 176.761 176.519 0.217 0.000 1.152 58 W CA -0.755 56.711 57.345 0.202 0.000 1.089 58 W CB 0.783 30.420 29.460 0.296 0.000 1.454 58 W HN 0.177 nan 8.180 nan 0.000 0.589 59 R N 1.469 122.256 120.500 0.478 0.000 2.407 59 R HA 0.592 4.947 4.340 0.026 0.000 0.303 59 R C -1.486 175.067 176.300 0.422 0.000 0.981 59 R CA -0.886 55.429 56.100 0.359 0.000 0.905 59 R CB 1.177 31.633 30.300 0.261 0.000 1.099 59 R HN 0.491 nan 8.270 nan 0.000 0.459 60 F N 0.476 120.465 119.950 0.065 0.000 2.596 60 F HA 0.628 5.170 4.527 0.026 0.000 0.311 60 F C -1.585 174.044 175.800 -0.284 0.000 1.116 60 F CA -0.582 57.306 58.000 -0.186 0.000 0.957 60 F CB 1.926 40.722 39.000 -0.341 0.000 1.250 60 F HN 0.620 nan 8.300 nan 0.000 0.444 61 A N 4.435 126.481 122.820 -1.290 0.000 2.449 61 A HA 0.624 4.959 4.320 0.026 0.000 0.302 61 A C -2.403 174.188 177.584 -1.654 0.000 1.048 61 A CA -0.571 50.780 52.037 -1.143 0.000 0.708 61 A CB 0.888 19.489 19.000 -0.665 0.000 1.274 61 A HN 0.955 nan 8.150 nan 0.000 0.410 62 W N 2.171 122.571 121.300 -1.500 0.000 2.551 62 W HA 0.748 5.423 4.660 0.026 0.000 0.330 62 W C -1.732 174.113 176.519 -1.122 0.000 1.063 62 W CA -0.319 56.306 57.345 -1.199 0.000 1.222 62 W CB 1.132 30.175 29.460 -0.696 0.000 1.349 62 W HN 0.518 nan 8.180 nan 0.000 0.536 63 F N 5.468 124.754 119.950 -1.107 0.000 2.613 63 F HA 0.392 4.935 4.527 0.026 0.000 0.314 63 F C -1.333 173.595 175.800 -1.454 0.000 1.075 63 F CA -2.009 55.466 58.000 -0.875 0.000 0.945 63 F CB 2.107 40.724 39.000 -0.639 0.000 1.310 63 F HN 0.190 nan 8.300 nan 0.000 0.467 64 P HA 0.183 nan 4.420 nan 0.000 0.235 64 P C -0.517 176.648 177.300 -0.226 0.000 1.177 64 P CA 0.673 63.505 63.100 -0.446 0.000 0.785 64 P CB 0.901 32.624 31.700 0.038 0.000 0.885 65 A N -0.143 122.555 122.820 -0.203 0.000 2.608 65 A HA 0.524 4.860 4.320 0.026 0.000 0.292 65 A C -2.436 175.036 177.584 -0.187 0.000 1.066 65 A CA -1.011 50.951 52.037 -0.126 0.000 0.676 65 A CB 0.503 19.493 19.000 -0.016 0.000 1.277 65 A HN -0.299 nan 8.150 nan 0.000 0.413 66 P HA -0.116 nan 4.420 nan 0.000 0.220 66 P C 0.723 177.923 177.300 -0.166 0.000 1.148 66 P CA 1.449 64.414 63.100 -0.225 0.000 0.803 66 P CB 0.255 31.794 31.700 -0.268 0.000 0.782 67 E N 0.082 120.241 120.200 -0.070 0.000 2.333 67 E HA -0.062 4.304 4.350 0.026 0.000 0.198 67 E C 1.976 178.495 176.600 -0.135 0.000 1.007 67 E CA 1.196 57.563 56.400 -0.055 0.000 0.845 67 E CB -0.814 28.889 29.700 0.004 0.000 0.766 67 E HN 0.249 nan 8.360 nan 0.000 0.507 68 A N 0.214 122.911 122.820 -0.205 0.000 2.275 68 A HA 0.121 4.456 4.320 0.026 0.000 0.212 68 A C 0.624 177.855 177.584 -0.588 0.000 1.201 68 A CA -0.181 51.710 52.037 -0.244 0.000 0.843 68 A CB 0.337 19.284 19.000 -0.088 0.000 0.873 68 A HN 0.029 nan 8.150 nan 0.000 0.492 69 V N 2.947 122.424 119.914 -0.729 0.000 2.508 69 V HA 0.205 4.341 4.120 0.026 0.000 0.281 69 V C -2.141 173.592 176.094 -0.602 0.000 1.041 69 V CA -1.405 60.228 62.300 -1.112 0.000 1.016 69 V CB 0.645 31.904 31.823 -0.941 0.000 0.984 69 V HN 0.319 nan 8.190 nan 0.000 0.478 70 P HA 0.260 nan 4.420 nan 0.000 0.275 70 P C 0.401 177.630 177.300 -0.119 0.000 1.227 70 P CA -0.361 62.605 63.100 -0.223 0.000 0.781 70 P CB 1.154 32.781 31.700 -0.123 0.000 0.906 71 E N 1.132 121.283 120.200 -0.081 0.000 2.209 71 E HA -0.189 4.176 4.350 0.026 0.000 0.196 71 E C 1.929 178.511 176.600 -0.031 0.000 0.993 71 E CA 1.820 58.185 56.400 -0.058 0.000 0.819 71 E CB -0.410 29.260 29.700 -0.050 0.000 0.745 71 E HN 0.564 nan 8.360 nan 0.000 0.477 72 S N -0.422 115.276 115.700 -0.004 0.000 2.400 72 S HA -0.238 4.247 4.470 0.026 0.000 0.232 72 S C 1.859 176.485 174.600 0.044 0.000 1.025 72 S CA 1.024 59.232 58.200 0.012 0.000 0.993 72 S CB -0.776 62.440 63.200 0.026 0.000 0.808 72 S HN 0.588 nan 8.310 nan 0.000 0.478 73 W N 2.286 123.495 121.300 -0.152 0.000 2.364 73 W HA 0.042 4.717 4.660 0.025 0.000 0.281 73 W C 1.663 178.067 176.519 -0.191 0.000 1.219 73 W CA 0.986 58.239 57.345 -0.152 0.000 1.220 73 W CB -0.354 28.990 29.460 -0.193 0.000 1.127 73 W HN 0.293 nan 8.180 nan 0.000 0.556 74 L N 0.078 121.113 121.223 -0.313 0.000 2.131 74 L HA -0.162 4.193 4.340 0.026 0.000 0.210 74 L C 2.121 178.751 176.870 -0.400 0.000 1.092 74 L CA 1.752 56.227 54.840 -0.609 0.000 0.759 74 L CB -0.658 41.075 42.059 -0.543 0.000 0.903 74 L HN -0.047 nan 8.230 nan 0.000 0.435 75 E N -2.063 117.998 120.200 -0.232 0.000 2.389 75 E HA 0.053 4.418 4.350 0.026 0.000 0.199 75 E C -0.118 176.408 176.600 -0.123 0.000 0.978 75 E CA -0.035 56.277 56.400 -0.147 0.000 0.912 75 E CB 0.833 30.484 29.700 -0.081 0.000 0.907 75 E HN 0.298 nan 8.360 nan 0.000 0.494 76 C N 0.214 119.446 119.300 -0.114 0.000 2.797 76 C HA 0.373 4.848 4.460 0.026 0.000 0.306 76 C C -0.937 174.040 174.990 -0.022 0.000 1.207 76 C CA -1.136 57.846 59.018 -0.059 0.000 1.507 76 C CB 1.054 28.782 27.740 -0.020 0.000 2.028 76 C HN 0.335 nan 8.230 nan 0.000 0.475 77 D N 2.191 122.594 120.400 0.005 0.000 2.472 77 D HA 0.226 4.881 4.640 0.026 0.000 0.237 77 D C -0.393 175.981 176.300 0.124 0.000 1.141 77 D CA 0.515 54.560 54.000 0.076 0.000 0.875 77 D CB 0.596 41.432 40.800 0.060 0.000 1.192 77 D HN 0.518 nan 8.370 nan 0.000 0.450 78 L N 5.637 126.979 121.223 0.198 0.000 2.319 78 L HA 0.248 4.603 4.340 0.026 0.000 0.280 78 L C -1.254 175.676 176.870 0.100 0.000 1.099 78 L CA -1.476 53.459 54.840 0.158 0.000 0.828 78 L CB 1.274 43.435 42.059 0.169 0.000 1.150 78 L HN 0.523 nan 8.230 nan 0.000 0.442 79 P HA -0.149 nan 4.420 nan 0.000 0.218 79 P C 0.619 177.948 177.300 0.047 0.000 1.149 79 P CA 1.001 64.133 63.100 0.054 0.000 0.817 79 P CB 0.219 31.944 31.700 0.041 0.000 0.785 80 E N -0.307 119.917 120.200 0.041 0.000 2.511 80 E HA 0.176 4.541 4.350 0.026 0.000 0.196 80 E C 0.991 177.600 176.600 0.016 0.000 1.066 80 E CA 0.055 56.468 56.400 0.022 0.000 0.871 80 E CB -0.857 28.843 29.700 -0.000 0.000 0.863 80 E HN 0.187 nan 8.360 nan 0.000 0.520 81 A N 1.220 124.059 122.820 0.032 0.000 2.429 81 A HA 0.138 4.474 4.320 0.026 0.000 0.242 81 A C 0.042 177.675 177.584 0.083 0.000 1.088 81 A CA -0.212 51.842 52.037 0.029 0.000 0.784 81 A CB 0.299 19.341 19.000 0.070 0.000 1.038 81 A HN -0.013 nan 8.150 nan 0.000 0.501 82 D N -0.331 120.151 120.400 0.136 0.000 2.384 82 D HA 0.483 5.138 4.640 0.026 0.000 0.250 82 D C -0.495 175.917 176.300 0.188 0.000 1.029 82 D CA 0.045 54.146 54.000 0.169 0.000 0.990 82 D CB 1.253 42.202 40.800 0.247 0.000 1.175 82 D HN 0.409 nan 8.370 nan 0.000 0.532 83 T N 0.518 115.163 114.554 0.152 0.000 2.767 83 T HA 0.498 4.864 4.350 0.026 0.000 0.288 83 T C 0.172 174.962 174.700 0.149 0.000 0.963 83 T CA -0.532 61.666 62.100 0.163 0.000 1.019 83 T CB 0.677 69.616 68.868 0.118 0.000 0.923 83 T HN 0.270 nan 8.240 nan 0.000 0.468 84 V N 1.102 121.135 119.914 0.198 0.000 3.160 84 V HA 0.797 4.933 4.120 0.026 0.000 0.310 84 V C -0.341 175.863 176.094 0.183 0.000 1.181 84 V CA -1.076 61.291 62.300 0.112 0.000 1.047 84 V CB 1.594 33.500 31.823 0.140 0.000 1.068 84 V HN 0.516 nan 8.190 nan 0.000 0.441 85 V N 1.401 121.398 119.914 0.138 0.000 2.686 85 V HA 0.581 4.717 4.120 0.026 0.000 0.295 85 V C -0.051 176.127 176.094 0.140 0.000 1.057 85 V CA -0.119 62.271 62.300 0.149 0.000 1.012 85 V CB 1.503 33.378 31.823 0.087 0.000 1.006 85 V HN 0.760 nan 8.190 nan 0.000 0.477 86 V N 6.231 126.144 119.914 -0.001 0.000 2.638 86 V HA 0.454 4.590 4.120 0.026 0.000 0.306 86 V C -2.341 173.641 176.094 -0.186 0.000 1.052 86 V CA -1.614 60.540 62.300 -0.243 0.000 0.885 86 V CB 2.540 33.835 31.823 -0.880 0.000 0.999 86 V HN 0.768 nan 8.190 nan 0.000 0.424 87 P HA 0.463 nan 4.420 nan 0.000 0.277 87 P C -0.833 176.396 177.300 -0.119 0.000 1.240 87 P CA -0.114 62.864 63.100 -0.203 0.000 0.798 87 P CB 1.399 32.992 31.700 -0.179 0.000 0.979 88 S N 0.283 115.922 115.700 -0.101 0.000 2.595 88 S HA 0.389 4.875 4.470 0.026 0.000 0.270 88 S C -1.230 173.299 174.600 -0.119 0.000 1.145 88 S CA -1.049 57.072 58.200 -0.132 0.000 0.825 88 S CB 0.449 63.489 63.200 -0.266 0.000 1.107 88 S HN 0.364 nan 8.310 nan 0.000 0.461 89 N N 0.925 119.497 118.700 -0.213 0.000 2.419 89 N HA 0.429 5.184 4.740 0.026 0.000 0.277 89 N C 0.524 175.871 175.510 -0.272 0.000 1.006 89 N CA -0.850 52.055 53.050 -0.243 0.000 0.923 89 N CB 0.689 39.005 38.487 -0.285 0.000 1.140 89 N HN 0.865 nan 8.380 nan 0.000 0.488 90 W N 2.394 123.568 121.300 -0.209 0.000 2.421 90 W HA -0.065 4.610 4.660 0.026 0.000 0.270 90 W C 0.971 177.464 176.519 -0.042 0.000 1.233 90 W CA 0.579 57.800 57.345 -0.206 0.000 1.226 90 W CB -0.303 29.069 29.460 -0.147 0.000 1.121 90 W HN 0.508 nan 8.180 nan 0.000 0.579 91 Q N 0.486 120.269 119.800 -0.029 0.000 2.167 91 Q HA -0.122 4.233 4.340 0.026 0.000 0.202 91 Q C 2.155 178.100 176.000 -0.092 0.000 0.970 91 Q CA 1.739 57.515 55.803 -0.044 0.000 0.855 91 Q CB -0.567 28.026 28.738 -0.241 0.000 0.911 91 Q HN 0.248 nan 8.270 nan 0.000 0.438 92 M N -0.788 118.722 119.600 -0.150 0.000 2.557 92 M HA -0.063 4.433 4.480 0.026 0.000 0.259 92 M C 0.715 177.073 176.300 0.098 0.000 1.086 92 M CA 1.422 56.664 55.300 -0.097 0.000 1.096 92 M CB -0.603 31.921 32.600 -0.126 0.000 1.424 92 M HN 0.382 nan 8.290 nan 0.000 0.488 93 H N -1.179 117.897 119.070 0.010 0.000 2.586 93 H HA 0.301 4.872 4.556 0.026 0.000 0.273 93 H C 1.283 176.478 175.328 -0.221 0.000 0.997 93 H CA 0.134 56.156 56.048 -0.043 0.000 1.177 93 H CB 0.485 30.302 29.762 0.092 0.000 1.471 93 H HN 0.540 nan 8.280 nan 0.000 0.538 94 G N 0.567 109.351 108.800 -0.027 0.000 2.157 94 G HA2 -0.354 3.621 3.960 0.026 0.000 0.239 94 G HA3 -0.354 3.621 3.960 0.026 0.000 0.239 94 G C 0.405 175.159 174.900 -0.243 0.000 0.982 94 G CA 0.247 45.260 45.100 -0.145 0.000 0.650 94 G HN 0.465 nan 8.290 nan 0.000 0.527 95 Y N 1.675 121.981 120.300 0.010 0.000 2.373 95 Y HA 0.275 4.841 4.550 0.026 0.000 0.293 95 Y C 1.639 177.320 175.900 -0.364 0.000 1.129 95 Y CA 1.510 59.500 58.100 -0.184 0.000 1.226 95 Y CB 0.241 38.649 38.460 -0.086 0.000 1.000 95 Y HN 0.640 nan 8.280 nan 0.000 0.549 96 D N -1.899 118.575 120.400 0.124 0.000 2.665 96 D HA 0.476 5.132 4.640 0.026 0.000 0.287 96 D C -1.223 175.163 176.300 0.143 0.000 1.266 96 D CA -0.869 53.199 54.000 0.113 0.000 0.830 96 D CB 0.737 41.734 40.800 0.328 0.000 1.356 96 D HN -0.069 nan 8.370 nan 0.000 0.437 97 A N 0.091 123.004 122.820 0.154 0.000 2.327 97 A HA 0.700 5.036 4.320 0.026 0.000 0.283 97 A C -2.312 175.302 177.584 0.050 0.000 1.127 97 A CA -1.149 50.955 52.037 0.112 0.000 0.810 97 A CB 0.109 19.242 19.000 0.222 0.000 1.066 97 A HN 0.544 nan 8.150 nan 0.000 0.492 98 P HA 0.447 nan 4.420 nan 0.000 0.277 98 P C -0.891 176.574 177.300 0.275 0.000 1.240 98 P CA 0.020 63.068 63.100 -0.087 0.000 0.798 98 P CB 0.836 32.236 31.700 -0.500 0.000 0.979 99 I N 1.999 122.829 120.570 0.433 0.000 2.465 99 I HA 0.259 4.444 4.170 0.026 0.000 0.291 99 I C -0.659 175.630 176.117 0.285 0.000 1.014 99 I CA -0.976 60.561 61.300 0.396 0.000 1.093 99 I CB 1.755 39.925 38.000 0.284 0.000 1.267 99 I HN 0.295 nan 8.210 nan 0.000 0.431 100 Y N 6.155 126.361 120.300 -0.156 0.000 2.478 100 Y HA 0.521 5.086 4.550 0.025 0.000 0.329 100 Y C -0.413 175.325 175.900 -0.271 0.000 0.967 100 Y CA -0.608 57.137 58.100 -0.591 0.000 1.255 100 Y CB 1.201 38.844 38.460 -1.363 0.000 1.103 100 Y HN 0.522 nan 8.280 nan 0.000 0.497 101 T N 5.434 119.504 114.554 -0.807 0.000 2.861 101 T HA 0.258 4.624 4.350 0.026 0.000 0.287 101 T C 0.248 174.471 174.700 -0.796 0.000 1.003 101 T CA -0.590 61.056 62.100 -0.756 0.000 0.977 101 T CB 1.037 69.694 68.868 -0.353 0.000 0.996 101 T HN 0.779 nan 8.240 nan 0.000 0.448 102 N N 2.995 121.247 118.700 -0.746 0.000 2.202 102 N HA 0.016 4.771 4.740 0.026 0.000 0.191 102 N C 1.570 176.818 175.510 -0.437 0.000 1.054 102 N CA 1.550 54.310 53.050 -0.483 0.000 0.877 102 N CB -0.544 37.676 38.487 -0.444 0.000 1.057 102 N HN 0.422 nan 8.380 nan 0.000 0.456 103 V N 0.418 120.006 119.914 -0.543 0.000 2.492 103 V HA 0.095 4.230 4.120 0.026 0.000 0.241 103 V C 0.454 176.238 176.094 -0.516 0.000 1.041 103 V CA 0.804 62.705 62.300 -0.665 0.000 1.057 103 V CB -0.669 30.649 31.823 -0.843 0.000 0.711 103 V HN 0.301 nan 8.190 nan 0.000 0.468 104 T N 0.999 115.316 114.554 -0.395 0.000 2.908 104 T HA 0.124 4.489 4.350 0.026 0.000 0.301 104 T C -0.347 174.221 174.700 -0.219 0.000 1.019 104 T CA 0.289 62.233 62.100 -0.261 0.000 1.152 104 T CB -0.183 68.564 68.868 -0.202 0.000 0.966 104 T HN 0.180 nan 8.240 nan 0.000 0.540 105 Y N 4.516 124.720 120.300 -0.160 0.000 2.578 105 Y HA 0.117 4.683 4.550 0.025 0.000 0.339 105 Y C -0.721 175.055 175.900 -0.207 0.000 1.231 105 Y CA -1.666 56.332 58.100 -0.170 0.000 1.461 105 Y CB 0.489 38.849 38.460 -0.168 0.000 1.323 105 Y HN 0.517 nan 8.280 nan 0.000 0.590 106 P HA -0.017 nan 4.420 nan 0.000 0.237 106 P C -0.337 176.738 177.300 -0.376 0.000 1.178 106 P CA 1.137 64.130 63.100 -0.179 0.000 0.766 106 P CB 0.069 31.700 31.700 -0.115 0.000 0.876 107 I N -5.033 115.293 120.570 -0.408 0.000 2.892 107 I HA 0.473 4.659 4.170 0.026 0.000 0.306 107 I C -0.572 175.409 176.117 -0.227 0.000 1.078 107 I CA -1.216 59.808 61.300 -0.459 0.000 1.032 107 I CB 1.852 39.413 38.000 -0.732 0.000 1.229 107 I HN -0.449 nan 8.210 nan 0.000 0.435 108 T N 2.999 117.466 114.554 -0.146 0.000 2.933 108 T HA 0.097 4.462 4.350 0.026 0.000 0.306 108 T C 0.259 174.946 174.700 -0.022 0.000 1.045 108 T CA -0.172 61.895 62.100 -0.055 0.000 1.143 108 T CB 0.506 69.363 68.868 -0.017 0.000 1.003 108 T HN 0.387 nan 8.240 nan 0.000 0.540 109 V N 4.711 124.630 119.914 0.008 0.000 2.370 109 V HA 0.236 4.371 4.120 0.026 0.000 0.257 109 V C 0.693 176.832 176.094 0.076 0.000 1.064 109 V CA -0.129 62.196 62.300 0.041 0.000 0.975 109 V CB -0.132 31.706 31.823 0.024 0.000 1.067 109 V HN 0.890 nan 8.190 nan 0.000 0.485 110 N N 5.959 124.757 118.700 0.164 0.000 2.679 110 N HA 0.238 4.993 4.740 0.026 0.000 0.240 110 N C -2.942 172.657 175.510 0.148 0.000 1.537 110 N CA -1.098 52.043 53.050 0.152 0.000 0.793 110 N CB 1.427 40.042 38.487 0.213 0.000 1.391 110 N HN 0.270 nan 8.380 nan 0.000 0.524 111 P HA 0.198 nan 4.420 nan 0.000 0.267 111 P C -2.232 174.859 177.300 -0.347 0.000 1.200 111 P CA -0.699 62.033 63.100 -0.613 0.000 0.772 111 P CB 0.476 31.642 31.700 -0.890 0.000 0.855 112 P HA 0.220 nan 4.420 nan 0.000 0.259 112 P C -0.380 176.804 177.300 -0.194 0.000 1.530 112 P CA -0.213 62.698 63.100 -0.316 0.000 1.022 112 P CB -0.053 31.436 31.700 -0.351 0.000 1.514 113 F N 0.889 120.949 119.950 0.184 0.000 2.370 113 F HA 0.328 4.871 4.527 0.026 0.000 0.324 113 F C 1.353 177.323 175.800 0.283 0.000 1.116 113 F CA -0.698 57.421 58.000 0.197 0.000 1.123 113 F CB 0.977 40.042 39.000 0.108 0.000 1.238 113 F HN -0.205 nan 8.300 nan 0.000 0.536 114 V N -1.094 119.100 119.914 0.467 0.000 3.126 114 V HA 0.701 4.837 4.120 0.026 0.000 0.314 114 V C -2.839 173.416 176.094 0.269 0.000 1.138 114 V CA -2.805 59.687 62.300 0.319 0.000 1.034 114 V CB 1.411 33.469 31.823 0.391 0.000 1.075 114 V HN 0.471 nan 8.190 nan 0.000 0.442 115 P HA 0.246 nan 4.420 nan 0.000 0.269 115 P C 0.994 178.429 177.300 0.224 0.000 1.215 115 P CA 0.448 63.639 63.100 0.153 0.000 0.780 115 P CB 0.600 32.355 31.700 0.093 0.000 0.898 116 T N -2.065 112.590 114.554 0.169 0.000 2.904 116 T HA -0.075 4.291 4.350 0.026 0.000 0.267 116 T C 0.506 175.307 174.700 0.168 0.000 1.059 116 T CA 0.815 63.019 62.100 0.174 0.000 1.137 116 T CB -0.557 68.382 68.868 0.117 0.000 0.879 116 T HN 0.361 nan 8.240 nan 0.000 0.467 117 E N 2.512 122.812 120.200 0.165 0.000 1.996 117 E HA 0.311 4.676 4.350 0.026 0.000 0.280 117 E C -0.760 175.984 176.600 0.240 0.000 1.092 117 E CA -0.384 56.118 56.400 0.170 0.000 0.862 117 E CB 0.243 30.050 29.700 0.179 0.000 1.066 117 E HN 0.250 nan 8.360 nan 0.000 0.396 118 N N 4.755 123.572 118.700 0.194 0.000 2.573 118 N HA 0.263 5.018 4.740 0.026 0.000 0.262 118 N C -2.861 172.672 175.510 0.039 0.000 1.029 118 N CA -2.562 50.642 53.050 0.258 0.000 0.882 118 N CB 1.132 39.760 38.487 0.235 0.000 1.204 118 N HN 0.064 nan 8.380 nan 0.000 0.519 119 P HA 0.025 nan 4.420 nan 0.000 0.260 119 P C -0.843 176.352 177.300 -0.175 0.000 1.172 119 P CA 0.509 63.525 63.100 -0.140 0.000 0.760 119 P CB 0.408 32.335 31.700 0.378 0.000 0.773 120 T N 2.878 117.074 114.554 -0.597 0.000 2.812 120 T HA 0.565 4.930 4.350 0.026 0.000 0.282 120 T C 0.190 174.376 174.700 -0.858 0.000 0.990 120 T CA -0.559 61.252 62.100 -0.482 0.000 0.960 120 T CB 1.517 70.138 68.868 -0.412 0.000 0.948 120 T HN 0.333 nan 8.240 nan 0.000 0.438 121 G N 1.095 109.441 108.800 -0.756 0.000 2.370 121 G HA2 0.482 4.457 3.960 0.026 0.000 0.317 121 G HA3 0.482 4.457 3.960 0.026 0.000 0.317 121 G C -0.282 174.343 174.900 -0.458 0.000 1.162 121 G CA -0.365 44.146 45.100 -0.982 0.000 0.922 121 G HN 0.863 nan 8.290 nan 0.000 0.454 122 C N 3.288 122.115 119.300 -0.788 0.000 2.203 122 C HA 0.455 4.931 4.460 0.026 0.000 0.325 122 C C -0.499 174.455 174.990 -0.060 0.000 1.156 122 C CA -0.895 57.831 59.018 -0.486 0.000 1.597 122 C CB -1.797 25.262 27.740 -1.134 0.000 2.148 122 C HN 0.626 nan 8.230 nan 0.000 0.472 123 Y N 2.006 122.576 120.300 0.450 0.000 2.387 123 Y HA 0.632 5.198 4.550 0.026 0.000 0.330 123 Y C 0.831 177.165 175.900 0.724 0.000 1.133 123 Y CA -0.067 58.401 58.100 0.613 0.000 1.152 123 Y CB 1.517 40.331 38.460 0.591 0.000 1.215 123 Y HN 0.681 nan 8.280 nan 0.000 0.466 124 S N 2.175 118.341 115.700 0.777 0.000 2.607 124 S HA 0.822 5.307 4.470 0.026 0.000 0.273 124 S C -1.974 172.708 174.600 0.136 0.000 1.148 124 S CA -0.834 57.609 58.200 0.406 0.000 0.833 124 S CB 2.222 65.535 63.200 0.187 0.000 1.130 124 S HN 0.573 nan 8.310 nan 0.000 0.470 125 L N 0.802 121.922 121.223 -0.171 0.000 2.526 125 L HA 0.680 5.035 4.340 0.026 0.000 0.263 125 L C -1.079 175.733 176.870 -0.096 0.000 0.943 125 L CA 0.142 54.723 54.840 -0.430 0.000 0.859 125 L CB 2.191 43.498 42.059 -1.254 0.000 1.313 125 L HN 0.919 nan 8.230 nan 0.000 0.406 126 T N 5.809 120.337 114.554 -0.044 0.000 2.767 126 T HA 0.737 5.103 4.350 0.026 0.000 0.284 126 T C -0.789 173.953 174.700 0.070 0.000 0.973 126 T CA 0.051 62.158 62.100 0.011 0.000 0.996 126 T CB 0.193 69.035 68.868 -0.042 0.000 0.927 126 T HN 0.452 nan 8.240 nan 0.000 0.456 127 F N 1.096 120.946 119.950 -0.168 0.000 2.662 127 F HA 0.731 5.274 4.527 0.026 0.000 0.312 127 F C -0.766 174.951 175.800 -0.138 0.000 1.113 127 F CA -1.561 56.339 58.000 -0.166 0.000 0.951 127 F CB 1.355 40.231 39.000 -0.207 0.000 1.344 127 F HN 0.374 nan 8.300 nan 0.000 0.462 128 N N 0.529 119.146 118.700 -0.137 0.000 2.487 128 N HA 0.628 5.384 4.740 0.026 0.000 0.292 128 N C -1.924 173.443 175.510 -0.239 0.000 1.108 128 N CA -0.422 52.483 53.050 -0.241 0.000 0.956 128 N CB 1.927 40.328 38.487 -0.143 0.000 1.176 128 N HN 0.647 nan 8.380 nan 0.000 0.484 129 V N 2.137 121.885 119.914 -0.276 0.000 2.531 129 V HA 0.238 4.373 4.120 0.026 0.000 0.301 129 V C -0.496 175.479 176.094 -0.199 0.000 1.034 129 V CA -0.885 61.266 62.300 -0.248 0.000 0.865 129 V CB 1.371 33.105 31.823 -0.148 0.000 0.995 129 V HN 0.811 nan 8.190 nan 0.000 0.424 130 D N 2.419 122.660 120.400 -0.265 0.000 2.372 130 D HA 0.128 4.783 4.640 0.026 0.000 0.243 130 D C 1.122 177.431 176.300 0.014 0.000 1.121 130 D CA -0.011 53.921 54.000 -0.113 0.000 0.898 130 D CB 1.415 42.156 40.800 -0.098 0.000 1.202 130 D HN 0.685 nan 8.370 nan 0.000 0.428 131 E N 1.339 121.557 120.200 0.030 0.000 2.209 131 E HA -0.193 4.172 4.350 0.026 0.000 0.196 131 E C 1.628 178.297 176.600 0.115 0.000 0.993 131 E CA 1.664 58.103 56.400 0.065 0.000 0.819 131 E CB -0.228 29.494 29.700 0.037 0.000 0.745 131 E HN 0.443 nan 8.360 nan 0.000 0.477 132 S N -1.028 114.750 115.700 0.130 0.000 2.419 132 S HA -0.164 4.321 4.470 0.026 0.000 0.233 132 S C 1.694 176.385 174.600 0.151 0.000 1.016 132 S CA 0.931 59.207 58.200 0.126 0.000 0.974 132 S CB -0.801 62.470 63.200 0.118 0.000 0.786 132 S HN 0.407 nan 8.310 nan 0.000 0.492 133 W N 1.646 122.890 121.300 -0.094 0.000 2.519 133 W HA 0.369 5.045 4.660 0.026 0.000 0.266 133 W C 1.860 178.450 176.519 0.120 0.000 1.253 133 W CA -0.027 57.255 57.345 -0.105 0.000 1.274 133 W CB -0.367 29.099 29.460 0.010 0.000 1.114 133 W HN 0.310 nan 8.180 nan 0.000 0.596 134 L N -1.059 120.340 121.223 0.293 0.000 2.513 134 L HA 0.096 4.452 4.340 0.026 0.000 0.222 134 L C 2.074 179.031 176.870 0.146 0.000 1.096 134 L CA 0.338 55.306 54.840 0.214 0.000 0.857 134 L CB -0.620 41.536 42.059 0.162 0.000 1.026 134 L HN -0.138 nan 8.230 nan 0.000 0.469 135 Q N 0.214 120.088 119.800 0.122 0.000 2.230 135 Q HA 0.005 4.360 4.340 0.026 0.000 0.202 135 Q C 0.090 176.142 176.000 0.087 0.000 0.963 135 Q CA 0.998 56.852 55.803 0.085 0.000 0.866 135 Q CB 0.591 29.367 28.738 0.063 0.000 0.931 135 Q HN 0.274 nan 8.270 nan 0.000 0.452 136 E N -1.886 118.386 120.200 0.120 0.000 2.408 136 E HA 0.499 4.865 4.350 0.026 0.000 0.275 136 E C -0.304 176.405 176.600 0.181 0.000 0.935 136 E CA 0.140 56.608 56.400 0.114 0.000 0.775 136 E CB 1.716 31.476 29.700 0.099 0.000 1.277 136 E HN 0.232 nan 8.360 nan 0.000 0.455 137 G N 1.391 110.230 108.800 0.065 0.000 2.741 137 G HA2 -0.243 3.732 3.960 0.026 0.000 0.222 137 G HA3 -0.243 3.732 3.960 0.026 0.000 0.222 137 G C -0.611 174.205 174.900 -0.140 0.000 1.364 137 G CA -0.017 45.028 45.100 -0.092 0.000 0.866 137 G HN 0.506 nan 8.290 nan 0.000 0.555 138 Q N -0.572 118.999 119.800 -0.382 0.000 2.340 138 Q HA 0.645 5.000 4.340 0.026 0.000 0.268 138 Q C -0.950 174.922 176.000 -0.214 0.000 1.031 138 Q CA -0.499 55.187 55.803 -0.194 0.000 0.804 138 Q CB 1.584 30.232 28.738 -0.150 0.000 1.286 138 Q HN 0.621 nan 8.270 nan 0.000 0.448 139 T N 4.989 119.578 114.554 0.059 0.000 2.772 139 T HA 0.457 4.823 4.350 0.026 0.000 0.288 139 T C -0.617 174.203 174.700 0.199 0.000 0.994 139 T CA -0.627 61.605 62.100 0.221 0.000 0.951 139 T CB 0.469 69.603 68.868 0.444 0.000 0.933 139 T HN 0.619 nan 8.240 nan 0.000 0.447 140 R N 2.948 123.551 120.500 0.171 0.000 2.832 140 R HA 0.781 5.136 4.340 0.026 0.000 0.271 140 R C -1.047 175.347 176.300 0.157 0.000 0.996 140 R CA -0.976 55.219 56.100 0.157 0.000 0.977 140 R CB 1.526 31.894 30.300 0.113 0.000 1.168 140 R HN 0.556 nan 8.270 nan 0.000 0.482 141 I N 2.173 122.834 120.570 0.152 0.000 2.525 141 I HA 0.464 4.649 4.170 0.026 0.000 0.301 141 I C -1.088 175.063 176.117 0.057 0.000 0.992 141 I CA -1.268 60.067 61.300 0.058 0.000 1.162 141 I CB 1.386 39.410 38.000 0.040 0.000 1.332 141 I HN 0.622 nan 8.210 nan 0.000 0.458 142 I N 6.922 127.429 120.570 -0.105 0.000 2.478 142 I HA 0.295 4.480 4.170 0.026 0.000 0.287 142 I C -1.362 174.623 176.117 -0.220 0.000 1.042 142 I CA -0.343 60.926 61.300 -0.052 0.000 1.067 142 I CB 1.695 39.672 38.000 -0.038 0.000 1.233 142 I HN 0.385 nan 8.210 nan 0.000 0.431 143 F N 4.498 124.439 119.950 -0.015 0.000 2.332 143 F HA 0.280 4.822 4.527 0.025 0.000 0.368 143 F C 1.281 176.975 175.800 -0.177 0.000 1.110 143 F CA -0.441 57.480 58.000 -0.133 0.000 1.087 143 F CB 0.898 39.784 39.000 -0.190 0.000 1.235 143 F HN 0.464 nan 8.300 nan 0.000 0.470 144 D N 2.410 122.741 120.400 -0.116 0.000 2.310 144 D HA 0.044 4.699 4.640 0.026 0.000 0.212 144 D C 0.965 177.110 176.300 -0.258 0.000 0.965 144 D CA 0.835 54.720 54.000 -0.191 0.000 0.879 144 D CB 0.418 41.046 40.800 -0.287 0.000 0.921 144 D HN 0.622 nan 8.370 nan 0.000 0.510 145 G N -0.319 108.273 108.800 -0.346 0.000 2.505 145 G HA2 0.431 4.406 3.960 0.026 0.000 0.292 145 G HA3 0.431 4.406 3.960 0.026 0.000 0.292 145 G C -1.437 173.227 174.900 -0.393 0.000 1.332 145 G CA -0.402 44.380 45.100 -0.530 0.000 1.286 145 G HN -0.056 nan 8.290 nan 0.000 0.606 146 V N 2.535 122.417 119.914 -0.053 0.000 2.569 146 V HA 0.540 4.676 4.120 0.026 0.000 0.301 146 V C -0.876 175.300 176.094 0.138 0.000 1.044 146 V CA -1.158 61.102 62.300 -0.068 0.000 0.874 146 V CB 2.010 33.537 31.823 -0.493 0.000 1.002 146 V HN 0.706 nan 8.190 nan 0.000 0.424 147 N N 2.437 121.208 118.700 0.118 0.000 2.443 147 N HA 0.343 5.098 4.740 0.026 0.000 0.269 147 N C 0.563 176.006 175.510 -0.110 0.000 0.985 147 N CA 0.146 53.180 53.050 -0.028 0.000 0.921 147 N CB 2.208 40.529 38.487 -0.276 0.000 1.195 147 N HN 0.676 nan 8.380 nan 0.000 0.492 148 S N 1.897 117.568 115.700 -0.049 0.000 2.526 148 S HA 0.584 5.069 4.470 0.026 0.000 0.220 148 S C 0.332 174.987 174.600 0.092 0.000 1.017 148 S CA 0.085 58.305 58.200 0.033 0.000 0.930 148 S CB 0.336 63.569 63.200 0.055 0.000 0.856 148 S HN 0.664 nan 8.310 nan 0.000 0.497 149 A N 0.822 123.706 122.820 0.107 0.000 2.612 149 A HA 0.790 5.126 4.320 0.026 0.000 0.293 149 A C -1.300 176.362 177.584 0.130 0.000 1.075 149 A CA -0.988 51.076 52.037 0.044 0.000 0.680 149 A CB 0.849 19.898 19.000 0.083 0.000 1.279 149 A HN 1.088 nan 8.150 nan 0.000 0.411 150 F N -0.853 118.906 119.950 -0.319 0.000 2.719 150 F HA 0.737 5.279 4.527 0.025 0.000 0.309 150 F C -1.132 174.550 175.800 -0.196 0.000 1.138 150 F CA -0.842 57.071 58.000 -0.145 0.000 0.943 150 F CB 1.097 40.000 39.000 -0.162 0.000 1.304 150 F HN 0.634 nan 8.300 nan 0.000 0.445 151 H N 1.590 120.777 119.070 0.196 0.000 2.529 151 H HA 0.729 5.300 4.556 0.026 0.000 0.348 151 H C -1.484 173.808 175.328 -0.060 0.000 1.152 151 H CA -0.735 55.301 56.048 -0.020 0.000 1.202 151 H CB 2.528 32.263 29.762 -0.046 0.000 1.562 151 H HN 0.748 nan 8.280 nan 0.000 0.515 152 L N 2.680 123.687 121.223 -0.360 0.000 2.386 152 L HA 0.417 4.772 4.340 0.026 0.000 0.271 152 L C -1.618 174.988 176.870 -0.441 0.000 0.993 152 L CA -0.521 54.193 54.840 -0.210 0.000 0.819 152 L CB 1.540 43.310 42.059 -0.481 0.000 1.294 152 L HN 0.532 nan 8.230 nan 0.000 0.414 153 W N 4.115 125.373 121.300 -0.070 0.000 2.864 153 W HA 0.622 5.297 4.660 0.026 0.000 0.343 153 W C -1.187 175.275 176.519 -0.094 0.000 1.109 153 W CA -0.811 56.484 57.345 -0.083 0.000 1.192 153 W CB 2.082 31.542 29.460 -0.001 0.000 1.426 153 W HN 0.631 nan 8.180 nan 0.000 0.529 154 C N 4.065 123.459 119.300 0.157 0.000 2.481 154 C HA 0.309 4.784 4.460 0.026 0.000 0.324 154 C C 0.244 175.366 174.990 0.219 0.000 1.170 154 C CA -0.371 58.734 59.018 0.146 0.000 1.361 154 C CB -0.228 27.533 27.740 0.035 0.000 1.977 154 C HN 0.813 nan 8.230 nan 0.000 0.459 155 N N 3.434 122.217 118.700 0.138 0.000 2.716 155 N HA -0.194 4.561 4.740 0.026 0.000 0.250 155 N C 1.003 176.578 175.510 0.108 0.000 1.033 155 N CA 2.120 55.225 53.050 0.091 0.000 0.727 155 N CB -1.261 37.284 38.487 0.096 0.000 0.950 155 N HN 1.895 nan 8.380 nan 0.000 0.541 156 G N -1.329 107.531 108.800 0.099 0.000 2.179 156 G HA2 -0.365 3.610 3.960 0.026 0.000 0.260 156 G HA3 -0.365 3.610 3.960 0.026 0.000 0.260 156 G C 0.130 175.201 174.900 0.285 0.000 0.977 156 G CA 0.636 45.793 45.100 0.095 0.000 0.641 156 G HN 0.556 nan 8.290 nan 0.000 0.533 157 R N -1.037 119.697 120.500 0.391 0.000 2.460 157 R HA 0.450 4.806 4.340 0.026 0.000 0.303 157 R C -0.291 176.351 176.300 0.570 0.000 0.968 157 R CA -0.862 55.537 56.100 0.498 0.000 0.889 157 R CB 1.195 31.789 30.300 0.491 0.000 1.123 157 R HN 0.201 nan 8.270 nan 0.000 0.455 158 W N 3.268 124.747 121.300 0.298 0.000 2.216 158 W HA 0.114 4.789 4.660 0.025 0.000 0.326 158 W C 0.067 176.523 176.519 -0.105 0.000 1.319 158 W CA 0.030 57.248 57.345 -0.212 0.000 1.213 158 W CB 0.742 30.032 29.460 -0.282 0.000 1.171 158 W HN 0.313 nan 8.180 nan 0.000 0.557 159 V N 4.908 124.104 119.914 -1.197 0.000 2.743 159 V HA 0.539 4.675 4.120 0.026 0.000 0.237 159 V C 0.986 176.111 176.094 -1.616 0.000 1.113 159 V CA 1.017 62.574 62.300 -1.239 0.000 1.141 159 V CB -0.196 30.911 31.823 -1.193 0.000 0.873 159 V HN 0.834 nan 8.190 nan 0.000 0.486 160 G N -1.681 105.928 108.800 -1.984 0.000 2.341 160 G HA2 0.461 4.437 3.960 0.026 0.000 0.299 160 G HA3 0.461 4.437 3.960 0.026 0.000 0.299 160 G C -2.412 172.025 174.900 -0.773 0.000 1.274 160 G CA -0.184 44.111 45.100 -1.341 0.000 0.853 160 G HN 0.029 nan 8.290 nan 0.000 0.493 161 Y N -0.582 119.444 120.300 -0.457 0.000 2.571 161 Y HA 0.696 5.262 4.550 0.026 0.000 0.341 161 Y C -0.160 175.496 175.900 -0.406 0.000 1.076 161 Y CA -0.046 57.720 58.100 -0.557 0.000 1.029 161 Y CB 2.106 40.402 38.460 -0.274 0.000 1.308 161 Y HN 1.316 nan 8.280 nan 0.000 0.461 162 G N 3.548 111.481 108.800 -1.445 0.000 2.718 162 G HA2 0.591 4.567 3.960 0.026 0.000 0.295 162 G HA3 0.591 4.567 3.960 0.026 0.000 0.295 162 G C -2.121 172.329 174.900 -0.749 0.000 1.421 162 G CA -0.846 43.753 45.100 -0.836 0.000 0.902 162 G HN 0.636 nan 8.290 nan 0.000 0.501 163 Q N -0.433 119.177 119.800 -0.317 0.000 2.668 163 Q HA 0.582 4.937 4.340 0.026 0.000 0.298 163 Q C -1.417 174.583 176.000 0.001 0.000 1.071 163 Q CA -0.803 54.931 55.803 -0.115 0.000 0.789 163 Q CB 2.653 31.371 28.738 -0.033 0.000 1.497 163 Q HN 0.669 nan 8.270 nan 0.000 0.460 164 D N -0.247 120.190 120.400 0.062 0.000 4.303 164 D HA -0.096 4.559 4.640 0.026 0.000 0.230 164 D C -0.562 175.802 176.300 0.107 0.000 1.172 164 D CA 0.494 54.547 54.000 0.088 0.000 1.001 164 D CB -0.684 40.153 40.800 0.062 0.000 0.641 164 D HN 0.518 nan 8.370 nan 0.000 0.296 165 S N 3.227 119.004 115.700 0.128 0.000 2.547 165 S HA -0.060 4.425 4.470 0.026 0.000 0.235 165 S C 1.514 176.249 174.600 0.225 0.000 0.980 165 S CA 0.534 58.837 58.200 0.173 0.000 0.941 165 S CB 0.227 63.494 63.200 0.111 0.000 0.763 165 S HN 0.460 nan 8.310 nan 0.000 0.532 166 R N 0.146 120.742 120.500 0.159 0.000 2.565 166 R HA 0.436 4.792 4.340 0.026 0.000 0.347 166 R C -0.461 175.903 176.300 0.106 0.000 1.010 166 R CA 0.052 56.247 56.100 0.158 0.000 1.126 166 R CB 0.194 30.611 30.300 0.196 0.000 1.331 166 R HN 0.317 nan 8.270 nan 0.000 0.552 167 L N 1.391 122.648 121.223 0.056 0.000 2.350 167 L HA 0.527 4.882 4.340 0.026 0.000 0.260 167 L C -2.404 174.449 176.870 -0.029 0.000 1.015 167 L CA -2.268 52.575 54.840 0.003 0.000 0.821 167 L CB 3.022 45.075 42.059 -0.010 0.000 1.370 167 L HN -0.200 nan 8.230 nan 0.000 0.416 168 P HA 0.127 nan 4.420 nan 0.000 0.275 168 P C -1.031 176.235 177.300 -0.058 0.000 1.227 168 P CA -0.263 62.795 63.100 -0.071 0.000 0.781 168 P CB 1.212 32.832 31.700 -0.134 0.000 0.906 169 S N 1.848 117.570 115.700 0.038 0.000 2.498 169 S HA 0.306 4.792 4.470 0.026 0.000 0.317 169 S C -0.406 174.140 174.600 -0.090 0.000 1.090 169 S CA -0.554 57.625 58.200 -0.035 0.000 1.089 169 S CB 0.753 64.106 63.200 0.255 0.000 0.997 169 S HN 0.361 nan 8.310 nan 0.000 0.470 170 E N 2.056 122.002 120.200 -0.423 0.000 2.212 170 E HA 0.547 4.912 4.350 0.026 0.000 0.268 170 E C -1.393 174.808 176.600 -0.665 0.000 0.902 170 E CA -0.535 55.694 56.400 -0.285 0.000 0.779 170 E CB 1.662 31.297 29.700 -0.108 0.000 1.172 170 E HN 0.416 nan 8.360 nan 0.000 0.409 171 F N 0.663 120.666 119.950 0.089 0.000 2.565 171 F HA 0.195 4.738 4.527 0.026 0.000 0.313 171 F C 0.117 175.939 175.800 0.036 0.000 1.091 171 F CA -1.104 56.910 58.000 0.024 0.000 0.915 171 F CB 1.540 40.520 39.000 -0.033 0.000 1.208 171 F HN 0.278 nan 8.300 nan 0.000 0.453 172 D N 2.986 123.512 120.400 0.209 0.000 2.339 172 D HA 0.188 4.844 4.640 0.026 0.000 0.256 172 D C 0.287 176.722 176.300 0.225 0.000 1.214 172 D CA 0.322 54.431 54.000 0.180 0.000 0.877 172 D CB 0.912 41.804 40.800 0.154 0.000 1.111 172 D HN 0.563 nan 8.370 nan 0.000 0.478 173 L N 2.908 124.268 121.223 0.228 0.000 2.667 173 L HA 0.032 4.388 4.340 0.026 0.000 0.232 173 L C 2.073 179.174 176.870 0.385 0.000 1.138 173 L CA -0.169 54.842 54.840 0.285 0.000 0.921 173 L CB 0.054 42.248 42.059 0.225 0.000 1.180 173 L HN 0.283 nan 8.230 nan 0.000 0.487 174 S N 1.332 117.205 115.700 0.289 0.000 2.380 174 S HA -0.260 4.226 4.470 0.026 0.000 0.229 174 S C 1.950 176.663 174.600 0.188 0.000 1.043 174 S CA 1.832 60.163 58.200 0.217 0.000 1.038 174 S CB -0.115 63.170 63.200 0.142 0.000 0.872 174 S HN 0.566 nan 8.310 nan 0.000 0.456 175 A N -0.837 122.090 122.820 0.178 0.000 2.251 175 A HA 0.401 4.736 4.320 0.026 0.000 0.209 175 A C 1.097 178.603 177.584 -0.131 0.000 1.187 175 A CA 0.118 52.143 52.037 -0.019 0.000 0.823 175 A CB -0.340 18.567 19.000 -0.155 0.000 0.846 175 A HN 0.472 nan 8.150 nan 0.000 0.486 176 F N -1.055 118.939 119.950 0.073 0.000 2.724 176 F HA 0.402 4.945 4.527 0.026 0.000 0.306 176 F C 0.576 176.414 175.800 0.063 0.000 1.100 176 F CA -0.092 57.950 58.000 0.069 0.000 1.255 176 F CB 0.279 39.327 39.000 0.080 0.000 1.072 176 F HN -0.010 nan 8.300 nan 0.000 0.589 177 L N 0.679 122.047 121.223 0.241 0.000 2.365 177 L HA 0.606 4.962 4.340 0.026 0.000 0.267 177 L C 0.017 176.929 176.870 0.070 0.000 1.033 177 L CA -0.919 54.007 54.840 0.142 0.000 0.802 177 L CB 1.446 43.600 42.059 0.160 0.000 1.267 177 L HN -0.044 nan 8.230 nan 0.000 0.457 178 R N 0.638 121.141 120.500 0.005 0.000 2.774 178 R HA 0.783 5.138 4.340 0.026 0.000 0.272 178 R C -1.178 175.096 176.300 -0.043 0.000 1.000 178 R CA -0.884 55.210 56.100 -0.009 0.000 0.906 178 R CB 1.563 31.849 30.300 -0.023 0.000 1.227 178 R HN 0.552 nan 8.270 nan 0.000 0.468 179 A N 1.183 123.988 122.820 -0.026 0.000 2.531 179 A HA 0.482 4.818 4.320 0.026 0.000 0.236 179 A C 1.058 178.593 177.584 -0.082 0.000 1.062 179 A CA 1.185 53.196 52.037 -0.043 0.000 0.760 179 A CB -0.674 18.314 19.000 -0.019 0.000 0.995 179 A HN 1.435 nan 8.150 nan 0.000 0.501 180 G N 1.250 109.982 108.800 -0.113 0.000 2.481 180 G HA2 -0.086 3.889 3.960 0.026 0.000 0.230 180 G HA3 -0.086 3.889 3.960 0.026 0.000 0.230 180 G C -0.379 174.395 174.900 -0.210 0.000 1.210 180 G CA -0.066 44.954 45.100 -0.134 0.000 0.936 180 G HN 0.935 nan 8.290 nan 0.000 0.583 181 E N 1.900 121.984 120.200 -0.193 0.000 2.373 181 E HA 0.418 4.783 4.350 0.026 0.000 0.267 181 E C 0.409 176.811 176.600 -0.329 0.000 1.032 181 E CA 0.052 56.295 56.400 -0.261 0.000 0.889 181 E CB 0.546 30.144 29.700 -0.171 0.000 0.984 181 E HN 0.496 nan 8.360 nan 0.000 0.425 182 N N 1.722 120.094 118.700 -0.545 0.000 2.416 182 N HA 0.384 5.140 4.740 0.026 0.000 0.276 182 N C -0.816 174.460 175.510 -0.389 0.000 1.261 182 N CA -0.651 52.088 53.050 -0.519 0.000 0.790 182 N CB 2.731 40.700 38.487 -0.863 0.000 1.554 182 N HN 0.207 nan 8.380 nan 0.000 0.481 183 R N 1.421 121.858 120.500 -0.106 0.000 2.532 183 R HA 0.508 4.863 4.340 0.026 0.000 0.297 183 R C -1.237 175.139 176.300 0.127 0.000 0.984 183 R CA -0.480 55.638 56.100 0.031 0.000 0.884 183 R CB 1.115 31.386 30.300 -0.048 0.000 1.182 183 R HN 0.483 nan 8.270 nan 0.000 0.442 184 L N 2.891 124.223 121.223 0.182 0.000 2.334 184 L HA 0.777 5.133 4.340 0.026 0.000 0.275 184 L C -0.285 176.630 176.870 0.075 0.000 1.036 184 L CA -0.964 53.973 54.840 0.160 0.000 0.807 184 L CB 1.928 44.070 42.059 0.138 0.000 1.231 184 L HN 0.751 nan 8.230 nan 0.000 0.438 185 A N 2.602 125.480 122.820 0.097 0.000 2.381 185 A HA 0.755 5.091 4.320 0.026 0.000 0.299 185 A C -1.150 176.692 177.584 0.430 0.000 1.049 185 A CA -0.443 51.558 52.037 -0.059 0.000 0.715 185 A CB 1.667 20.120 19.000 -0.911 0.000 1.222 185 A HN 0.361 nan 8.150 nan 0.000 0.428 186 V N 3.216 123.556 119.914 0.709 0.000 2.483 186 V HA 0.507 4.642 4.120 0.026 0.000 0.297 186 V C -0.130 176.495 176.094 0.885 0.000 1.027 186 V CA -0.317 62.418 62.300 0.725 0.000 0.855 186 V CB 1.615 33.687 31.823 0.415 0.000 0.995 186 V HN 0.969 nan 8.190 nan 0.000 0.424 187 M N 5.912 126.053 119.600 0.902 0.000 2.088 187 M HA 0.605 5.101 4.480 0.026 0.000 0.346 187 M C -1.521 175.037 176.300 0.431 0.000 1.111 187 M CA -0.379 55.274 55.300 0.588 0.000 1.017 187 M CB 1.202 34.178 32.600 0.627 0.000 1.568 187 M HN 0.483 nan 8.290 nan 0.000 0.445 188 V N 6.806 126.924 119.914 0.340 0.000 2.398 188 V HA 0.414 4.550 4.120 0.026 0.000 0.286 188 V C -0.154 176.096 176.094 0.261 0.000 1.026 188 V CA -0.701 61.806 62.300 0.345 0.000 0.868 188 V CB 1.483 33.598 31.823 0.488 0.000 0.982 188 V HN 0.813 nan 8.190 nan 0.000 0.443 189 L N 4.756 126.063 121.223 0.140 0.000 2.292 189 L HA 0.520 4.875 4.340 0.026 0.000 0.284 189 L C 1.547 178.426 176.870 0.015 0.000 1.065 189 L CA -0.380 54.466 54.840 0.010 0.000 0.806 189 L CB 1.255 43.233 42.059 -0.136 0.000 1.175 189 L HN 0.645 nan 8.230 nan 0.000 0.431 190 R N 2.656 123.115 120.500 -0.069 0.000 2.075 190 R HA -0.040 4.316 4.340 0.026 0.000 0.232 190 R C -0.379 175.581 176.300 -0.567 0.000 1.126 190 R CA 1.244 57.067 56.100 -0.462 0.000 0.963 190 R CB 0.233 30.116 30.300 -0.695 0.000 0.858 190 R HN 0.566 nan 8.270 nan 0.000 0.435 191 W N 0.035 121.393 121.300 0.097 0.000 2.666 191 W HA 0.418 5.093 4.660 0.025 0.000 0.334 191 W C -0.395 176.229 176.519 0.176 0.000 1.051 191 W CA -0.784 56.624 57.345 0.105 0.000 1.224 191 W CB 1.869 31.393 29.460 0.107 0.000 1.405 191 W HN 0.021 nan 8.180 nan 0.000 0.513 192 S N -1.094 114.878 115.700 0.455 0.000 2.672 192 S HA 0.202 4.688 4.470 0.026 0.000 0.271 192 S C 0.070 174.917 174.600 0.411 0.000 1.171 192 S CA -0.429 58.053 58.200 0.469 0.000 0.817 192 S CB 1.156 64.605 63.200 0.414 0.000 1.150 192 S HN 0.639 nan 8.310 nan 0.000 0.478 193 D N 0.273 120.927 120.400 0.424 0.000 2.309 193 D HA 0.075 4.731 4.640 0.026 0.000 0.212 193 D C 1.704 178.319 176.300 0.524 0.000 0.968 193 D CA 1.134 55.443 54.000 0.513 0.000 0.882 193 D CB -0.633 40.337 40.800 0.283 0.000 0.918 193 D HN 0.703 nan 8.370 nan 0.000 0.503 194 G N -0.020 109.000 108.800 0.367 0.000 2.471 194 G HA2 -0.215 3.761 3.960 0.026 0.000 0.219 194 G HA3 -0.215 3.761 3.960 0.026 0.000 0.219 194 G C 1.661 176.745 174.900 0.306 0.000 1.125 194 G CA 0.524 45.815 45.100 0.319 0.000 0.775 194 G HN 0.294 nan 8.290 nan 0.000 0.548 195 S N -0.158 115.706 115.700 0.274 0.000 2.442 195 S HA -0.073 4.412 4.470 0.026 0.000 0.236 195 S C 1.839 176.529 174.600 0.150 0.000 1.007 195 S CA 0.520 58.849 58.200 0.214 0.000 0.965 195 S CB -0.369 62.967 63.200 0.225 0.000 0.773 195 S HN 0.559 nan 8.310 nan 0.000 0.504 196 Y N 1.132 121.559 120.300 0.210 0.000 2.421 196 Y HA 0.080 4.646 4.550 0.025 0.000 0.292 196 Y C 1.592 177.602 175.900 0.183 0.000 1.136 196 Y CA 0.653 58.792 58.100 0.064 0.000 1.255 196 Y CB -0.155 38.215 38.460 -0.152 0.000 0.991 196 Y HN 0.198 nan 8.280 nan 0.000 0.552 197 L N -0.365 121.060 121.223 0.336 0.000 2.667 197 L HA 0.113 4.469 4.340 0.026 0.000 0.232 197 L C 0.092 177.109 176.870 0.244 0.000 1.138 197 L CA 0.426 55.420 54.840 0.258 0.000 0.921 197 L CB 0.097 42.310 42.059 0.257 0.000 1.180 197 L HN 0.129 nan 8.230 nan 0.000 0.487 198 E N -0.092 120.267 120.200 0.264 0.000 3.846 198 E HA 0.042 4.407 4.350 0.026 0.000 0.216 198 E C -0.485 176.235 176.600 0.200 0.000 1.092 198 E CA -0.070 56.468 56.400 0.231 0.000 1.370 198 E CB 0.483 30.308 29.700 0.208 0.000 1.227 198 E HN 0.031 nan 8.360 nan 0.000 0.442 199 D N 1.183 121.662 120.400 0.131 0.000 2.690 199 D HA 0.031 4.686 4.640 0.026 0.000 0.236 199 D C -0.202 176.103 176.300 0.009 0.000 1.218 199 D CA -0.090 53.881 54.000 -0.049 0.000 0.829 199 D CB 0.127 40.662 40.800 -0.443 0.000 1.009 199 D HN 0.066 nan 8.370 nan 0.000 0.482 200 Q N 0.384 120.280 119.800 0.160 0.000 2.421 200 Q HA 0.115 4.471 4.340 0.026 0.000 0.255 200 Q C -0.038 176.084 176.000 0.203 0.000 1.013 200 Q CA 0.055 56.015 55.803 0.261 0.000 0.895 200 Q CB 0.555 29.610 28.738 0.529 0.000 1.271 200 Q HN 0.041 nan 8.270 nan 0.000 0.460 201 D N 2.853 123.392 120.400 0.232 0.000 2.489 201 D HA 0.157 4.812 4.640 0.026 0.000 0.237 201 D C -0.801 175.651 176.300 0.254 0.000 1.212 201 D CA 0.163 54.277 54.000 0.190 0.000 1.058 201 D CB -0.477 40.422 40.800 0.164 0.000 1.098 201 D HN 0.496 nan 8.370 nan 0.000 0.509 202 M N 0.274 120.001 119.600 0.212 0.000 3.012 202 M HA 0.362 4.857 4.480 0.026 0.000 0.272 202 M C -1.331 175.076 176.300 0.179 0.000 1.187 202 M CA -1.146 54.205 55.300 0.085 0.000 0.813 202 M CB 1.013 33.599 32.600 -0.022 0.000 1.626 202 M HN -0.101 nan 8.290 nan 0.000 0.507 203 W N 1.853 123.243 121.300 0.151 0.000 2.193 203 W HA 0.316 4.991 4.660 0.026 0.000 0.338 203 W C 0.304 176.851 176.519 0.047 0.000 1.310 203 W CA -0.053 57.374 57.345 0.137 0.000 1.243 203 W CB 0.359 29.838 29.460 0.031 0.000 1.165 203 W HN 0.305 nan 8.180 nan 0.000 0.566 204 R N 4.519 125.205 120.500 0.309 0.000 2.204 204 R HA 0.431 4.786 4.340 0.026 0.000 0.341 204 R C -0.148 176.161 176.300 0.015 0.000 1.035 204 R CA -0.260 55.935 56.100 0.158 0.000 0.887 204 R CB 0.308 30.771 30.300 0.272 0.000 1.114 204 R HN 0.562 nan 8.270 nan 0.000 0.473 205 M N 0.219 119.716 119.600 -0.172 0.000 2.752 205 M HA 0.522 5.018 4.480 0.026 0.000 0.285 205 M C -0.092 175.860 176.300 -0.581 0.000 1.140 205 M CA -0.789 54.290 55.300 -0.369 0.000 0.767 205 M CB 2.289 34.669 32.600 -0.367 0.000 1.736 205 M HN 0.658 nan 8.290 nan 0.000 0.452 206 S N -1.263 113.965 115.700 -0.787 0.000 2.636 206 S HA 0.933 5.419 4.470 0.026 0.000 0.266 206 S C -0.646 173.467 174.600 -0.812 0.000 1.147 206 S CA -0.208 57.472 58.200 -0.865 0.000 0.815 206 S CB 1.702 64.197 63.200 -1.174 0.000 1.119 206 S HN 1.455 nan 8.310 nan 0.000 0.470 207 G N -0.160 108.400 108.800 -0.400 0.000 2.331 207 G HA2 0.217 4.193 3.960 0.026 0.000 0.402 207 G HA3 0.217 4.193 3.960 0.026 0.000 0.402 207 G C -1.549 173.365 174.900 0.024 0.000 1.275 207 G CA -0.618 44.524 45.100 0.070 0.000 1.003 207 G HN 1.151 nan 8.290 nan 0.000 0.500 208 I N 2.034 122.483 120.570 -0.202 0.000 2.268 208 I HA 0.285 4.471 4.170 0.026 0.000 0.290 208 I C 1.071 177.053 176.117 -0.225 0.000 1.125 208 I CA -0.265 60.800 61.300 -0.392 0.000 1.236 208 I CB -0.117 37.375 38.000 -0.847 0.000 1.469 208 I HN 0.514 nan 8.210 nan 0.000 0.512 209 F N 4.109 123.909 119.950 -0.250 0.000 2.695 209 F HA 0.465 5.007 4.527 0.025 0.000 0.303 209 F C 0.674 176.395 175.800 -0.131 0.000 1.091 209 F CA -0.567 57.320 58.000 -0.188 0.000 1.300 209 F CB 0.120 39.012 39.000 -0.179 0.000 1.071 209 F HN 0.113 nan 8.300 nan 0.000 0.578 210 R N 0.548 120.572 120.500 -0.794 0.000 2.939 210 R HA 0.253 4.609 4.340 0.026 0.000 0.254 210 R C -0.670 175.414 176.300 -0.359 0.000 1.123 210 R CA -1.162 54.602 56.100 -0.561 0.000 1.020 210 R CB 0.688 30.596 30.300 -0.653 0.000 1.206 210 R HN -0.022 nan 8.270 nan 0.000 0.491 211 D N 0.678 120.915 120.400 -0.271 0.000 2.419 211 D HA 0.096 4.751 4.640 0.026 0.000 0.236 211 D C -0.433 175.730 176.300 -0.228 0.000 1.165 211 D CA 0.446 54.329 54.000 -0.195 0.000 0.882 211 D CB 0.758 41.477 40.800 -0.136 0.000 1.201 211 D HN -0.019 nan 8.370 nan 0.000 0.443 212 V N 0.832 120.622 119.914 -0.207 0.000 2.604 212 V HA 0.561 4.696 4.120 0.026 0.000 0.305 212 V C 0.094 176.067 176.094 -0.203 0.000 1.043 212 V CA -0.559 61.556 62.300 -0.307 0.000 0.888 212 V CB 1.796 33.437 31.823 -0.303 0.000 0.995 212 V HN 0.779 nan 8.190 nan 0.000 0.429 213 S N 4.257 119.816 115.700 -0.234 0.000 2.638 213 S HA 0.882 5.367 4.470 0.026 0.000 0.274 213 S C -1.568 172.977 174.600 -0.092 0.000 1.157 213 S CA -0.824 57.306 58.200 -0.117 0.000 0.826 213 S CB 2.136 65.304 63.200 -0.054 0.000 1.139 213 S HN 0.457 nan 8.310 nan 0.000 0.474 214 L N 1.227 122.460 121.223 0.015 0.000 2.385 214 L HA 0.798 5.153 4.340 0.026 0.000 0.273 214 L C -1.483 175.564 176.870 0.296 0.000 0.990 214 L CA -0.703 54.217 54.840 0.133 0.000 0.821 214 L CB 1.670 43.793 42.059 0.107 0.000 1.279 214 L HN 0.859 nan 8.230 nan 0.000 0.412 215 L N 4.147 125.536 121.223 0.276 0.000 2.385 215 L HA 0.504 4.859 4.340 0.026 0.000 0.273 215 L C -1.149 175.763 176.870 0.071 0.000 0.990 215 L CA -0.202 54.742 54.840 0.174 0.000 0.821 215 L CB 1.386 43.502 42.059 0.096 0.000 1.279 215 L HN 0.641 nan 8.230 nan 0.000 0.412 216 H N 5.164 124.028 119.070 -0.343 0.000 2.467 216 H HA 0.501 5.073 4.556 0.026 0.000 0.326 216 H C -1.278 173.838 175.328 -0.353 0.000 1.094 216 H CA -0.603 55.114 56.048 -0.551 0.000 1.253 216 H CB 1.226 30.163 29.762 -1.376 0.000 1.439 216 H HN 0.533 nan 8.280 nan 0.000 0.479 217 K N 5.281 125.279 120.400 -0.669 0.000 2.385 217 K HA 0.376 4.712 4.320 0.026 0.000 0.248 217 K C -2.738 173.567 176.600 -0.491 0.000 0.955 217 K CA -2.042 53.992 56.287 -0.422 0.000 0.816 217 K CB 2.182 34.515 32.500 -0.279 0.000 1.250 217 K HN 0.485 nan 8.250 nan 0.000 0.434 218 P HA 0.163 nan 4.420 nan 0.000 0.274 218 P C 0.538 177.749 177.300 -0.149 0.000 1.246 218 P CA -0.185 62.825 63.100 -0.151 0.000 0.795 218 P CB 0.510 32.174 31.700 -0.060 0.000 1.006 219 T N -0.929 113.568 114.554 -0.096 0.000 2.720 219 T HA -0.057 4.308 4.350 0.026 0.000 0.268 219 T C 0.609 175.264 174.700 -0.076 0.000 1.037 219 T CA 1.616 63.670 62.100 -0.076 0.000 1.144 219 T CB -0.595 68.248 68.868 -0.040 0.000 0.864 219 T HN 0.437 nan 8.240 nan 0.000 0.444 220 T N 3.560 118.076 114.554 -0.063 0.000 2.743 220 T HA 0.478 4.844 4.350 0.026 0.000 0.293 220 T C -0.240 174.413 174.700 -0.080 0.000 0.945 220 T CA -0.606 61.450 62.100 -0.074 0.000 1.030 220 T CB 0.768 69.608 68.868 -0.047 0.000 0.912 220 T HN 0.484 nan 8.240 nan 0.000 0.483 221 Q N 2.295 122.033 119.800 -0.103 0.000 2.590 221 Q HA 0.575 4.931 4.340 0.026 0.000 0.295 221 Q C -1.350 174.584 176.000 -0.111 0.000 0.973 221 Q CA -1.134 54.598 55.803 -0.118 0.000 0.768 221 Q CB 1.162 29.805 28.738 -0.159 0.000 1.479 221 Q HN 0.468 nan 8.270 nan 0.000 0.419 222 I N 2.535 123.012 120.570 -0.156 0.000 2.452 222 I HA 0.024 4.210 4.170 0.026 0.000 0.287 222 I C 0.774 176.785 176.117 -0.176 0.000 1.079 222 I CA 0.131 61.358 61.300 -0.120 0.000 1.387 222 I CB 1.083 38.975 38.000 -0.181 0.000 1.404 222 I HN 0.881 nan 8.210 nan 0.000 0.522 223 S N 2.615 118.328 115.700 0.022 0.000 2.512 223 S HA 0.224 4.709 4.470 0.026 0.000 0.216 223 S C 0.161 174.988 174.600 0.378 0.000 1.006 223 S CA -0.294 57.991 58.200 0.140 0.000 0.915 223 S CB 0.308 63.549 63.200 0.068 0.000 0.824 223 S HN 0.703 nan 8.310 nan 0.000 0.497 224 D N -0.174 120.430 120.400 0.340 0.000 2.683 224 D HA 0.521 5.176 4.640 0.026 0.000 0.246 224 D C -1.938 174.529 176.300 0.279 0.000 1.238 224 D CA -0.682 53.506 54.000 0.313 0.000 0.759 224 D CB 1.704 42.571 40.800 0.112 0.000 1.349 224 D HN 0.210 nan 8.370 nan 0.000 0.426 225 F N -0.591 119.400 119.950 0.068 0.000 2.635 225 F HA 0.601 5.144 4.527 0.026 0.000 0.314 225 F C -1.548 174.297 175.800 0.076 0.000 1.119 225 F CA -0.777 57.202 58.000 -0.034 0.000 1.000 225 F CB 1.184 40.215 39.000 0.052 0.000 1.278 225 F HN 0.236 nan 8.300 nan 0.000 0.446 226 H N 1.899 121.028 119.070 0.098 0.000 2.600 226 H HA 0.747 5.319 4.556 0.027 0.000 0.357 226 H C -1.316 174.049 175.328 0.063 0.000 1.106 226 H CA -1.510 54.531 56.048 -0.012 0.000 1.193 226 H CB 2.705 32.449 29.762 -0.030 0.000 1.594 226 H HN 0.611 nan 8.280 nan 0.000 0.526 227 V N 2.257 122.265 119.914 0.157 0.000 2.417 227 V HA 0.666 4.801 4.120 0.026 0.000 0.291 227 V C -0.201 175.887 176.094 -0.011 0.000 1.024 227 V CA -0.547 61.798 62.300 0.074 0.000 0.861 227 V CB 1.260 33.123 31.823 0.067 0.000 0.985 227 V HN 0.923 nan 8.190 nan 0.000 0.436 228 A N 3.325 126.115 122.820 -0.049 0.000 2.413 228 A HA 0.964 5.300 4.320 0.026 0.000 0.307 228 A C -0.155 177.324 177.584 -0.175 0.000 1.087 228 A CA -0.538 51.449 52.037 -0.085 0.000 0.750 228 A CB 2.019 20.992 19.000 -0.046 0.000 1.296 228 A HN 0.916 nan 8.150 nan 0.000 0.423 229 T N -0.386 114.048 114.554 -0.201 0.000 2.881 229 T HA 0.697 5.063 4.350 0.026 0.000 0.291 229 T C -0.504 173.981 174.700 -0.359 0.000 0.990 229 T CA -0.828 61.054 62.100 -0.365 0.000 0.976 229 T CB 0.995 69.533 68.868 -0.549 0.000 0.970 229 T HN 0.990 nan 8.240 nan 0.000 0.438 230 R N 2.079 122.291 120.500 -0.479 0.000 2.740 230 R HA 0.817 5.173 4.340 0.026 0.000 0.282 230 R C -1.710 174.227 176.300 -0.605 0.000 0.969 230 R CA -0.911 54.988 56.100 -0.336 0.000 0.918 230 R CB 1.319 31.551 30.300 -0.114 0.000 1.175 230 R HN 0.489 nan 8.270 nan 0.000 0.464 231 F N 0.553 120.484 119.950 -0.032 0.000 2.611 231 F HA 0.357 4.898 4.527 0.024 0.000 0.324 231 F C 0.372 176.036 175.800 -0.226 0.000 1.061 231 F CA -0.990 56.934 58.000 -0.127 0.000 0.954 231 F CB 1.404 40.224 39.000 -0.300 0.000 1.301 231 F HN 0.692 nan 8.300 nan 0.000 0.482 232 N N -0.089 118.590 118.700 -0.036 0.000 2.366 232 N HA 0.061 4.817 4.740 0.026 0.000 0.277 232 N C 0.403 175.770 175.510 -0.237 0.000 1.275 232 N CA -0.152 52.841 53.050 -0.096 0.000 0.964 232 N CB 0.031 38.491 38.487 -0.045 0.000 1.167 232 N HN 0.660 nan 8.380 nan 0.000 0.568 233 D N -1.430 118.879 120.400 -0.152 0.000 2.178 233 D HA -0.212 4.443 4.640 0.026 0.000 0.201 233 D C 0.432 176.643 176.300 -0.148 0.000 0.980 233 D CA 1.408 55.315 54.000 -0.154 0.000 0.842 233 D CB -0.501 40.270 40.800 -0.048 0.000 0.948 233 D HN 0.721 nan 8.370 nan 0.000 0.472 234 D N -1.482 118.880 120.400 -0.064 0.000 2.395 234 D HA 0.002 4.657 4.640 0.026 0.000 0.213 234 D C 0.160 176.606 176.300 0.243 0.000 1.110 234 D CA -0.763 53.306 54.000 0.115 0.000 0.835 234 D CB -0.828 40.042 40.800 0.117 0.000 0.965 234 D HN 0.228 nan 8.370 nan 0.000 0.505 235 F N 0.258 120.269 119.950 0.102 0.000 2.884 235 F HA -0.276 4.265 4.527 0.023 0.000 0.294 235 F C 1.569 177.452 175.800 0.139 0.000 0.723 235 F CA 0.751 58.821 58.000 0.117 0.000 1.294 235 F CB -2.506 36.453 39.000 -0.067 0.000 1.551 235 F HN 0.191 nan 8.300 nan 0.000 0.363 236 S N -1.009 114.802 115.700 0.186 0.000 2.524 236 S HA 0.309 4.794 4.470 0.026 0.000 0.216 236 S C 0.608 175.266 174.600 0.096 0.000 0.987 236 S CA -0.081 58.199 58.200 0.132 0.000 0.909 236 S CB 0.392 63.645 63.200 0.088 0.000 0.781 236 S HN 0.444 nan 8.310 nan 0.000 0.521 237 R N 0.303 120.863 120.500 0.100 0.000 2.673 237 R HA 0.816 5.171 4.340 0.026 0.000 0.281 237 R C -1.210 175.116 176.300 0.043 0.000 0.991 237 R CA -0.388 55.736 56.100 0.040 0.000 0.896 237 R CB 2.177 32.479 30.300 0.004 0.000 1.201 237 R HN 0.238 nan 8.270 nan 0.000 0.457 238 A N 1.677 124.463 122.820 -0.056 0.000 2.527 238 A HA 0.780 5.116 4.320 0.026 0.000 0.293 238 A C -1.267 176.232 177.584 -0.141 0.000 1.117 238 A CA -0.713 51.199 52.037 -0.209 0.000 0.723 238 A CB 2.080 20.943 19.000 -0.229 0.000 1.313 238 A HN 0.348 nan 8.150 nan 0.000 0.411 239 V N 1.265 121.072 119.914 -0.178 0.000 2.531 239 V HA 0.420 4.556 4.120 0.026 0.000 0.301 239 V C -0.600 175.432 176.094 -0.103 0.000 1.034 239 V CA -0.362 61.876 62.300 -0.102 0.000 0.865 239 V CB 1.438 33.200 31.823 -0.101 0.000 0.995 239 V HN 0.802 nan 8.190 nan 0.000 0.424 240 L N 4.769 125.970 121.223 -0.037 0.000 2.265 240 L HA 0.586 4.941 4.340 0.026 0.000 0.288 240 L C 0.081 176.911 176.870 -0.066 0.000 1.058 240 L CA 0.091 54.886 54.840 -0.075 0.000 0.809 240 L CB 0.986 43.039 42.059 -0.010 0.000 1.179 240 L HN 0.821 nan 8.230 nan 0.000 0.429 241 E N 4.876 125.031 120.200 -0.075 0.000 2.155 241 E HA 0.633 4.999 4.350 0.026 0.000 0.264 241 E C -1.464 175.128 176.600 -0.014 0.000 0.886 241 E CA -0.794 55.581 56.400 -0.042 0.000 0.752 241 E CB 1.603 31.279 29.700 -0.040 0.000 1.133 241 E HN 0.713 nan 8.360 nan 0.000 0.414 242 A N 4.844 127.663 122.820 -0.002 0.000 2.310 242 A HA 0.293 4.628 4.320 0.026 0.000 0.304 242 A C -0.634 176.961 177.584 0.018 0.000 1.231 242 A CA -0.691 51.367 52.037 0.036 0.000 0.799 242 A CB 0.997 20.018 19.000 0.034 0.000 1.162 242 A HN 0.758 nan 8.150 nan 0.000 0.486 243 E N 2.695 122.910 120.200 0.025 0.000 2.174 243 E HA 0.531 4.896 4.350 0.026 0.000 0.282 243 E C -1.335 175.236 176.600 -0.049 0.000 0.992 243 E CA -0.361 56.018 56.400 -0.036 0.000 0.803 243 E CB 1.137 30.794 29.700 -0.071 0.000 1.090 243 E HN 0.365 nan 8.360 nan 0.000 0.396 244 V N 4.926 124.825 119.914 -0.024 0.000 2.540 244 V HA 0.284 4.419 4.120 0.026 0.000 0.302 244 V C -0.427 175.732 176.094 0.109 0.000 1.035 244 V CA -0.775 61.553 62.300 0.046 0.000 0.873 244 V CB 1.625 33.454 31.823 0.009 0.000 0.992 244 V HN 0.744 nan 8.190 nan 0.000 0.428 245 Q N 4.234 124.101 119.800 0.112 0.000 2.345 245 Q HA 0.840 5.195 4.340 0.026 0.000 0.268 245 Q C -0.813 175.259 176.000 0.119 0.000 1.054 245 Q CA -0.905 54.967 55.803 0.114 0.000 0.835 245 Q CB 2.694 31.433 28.738 0.000 0.000 1.339 245 Q HN 0.809 nan 8.270 nan 0.000 0.447 246 M N -0.947 118.646 119.600 -0.012 0.000 2.716 246 M HA 0.747 5.242 4.480 0.026 0.000 0.307 246 M C -1.331 174.874 176.300 -0.158 0.000 1.223 246 M CA -0.497 54.718 55.300 -0.142 0.000 0.871 246 M CB 1.608 33.949 32.600 -0.432 0.000 1.739 246 M HN 0.530 nan 8.290 nan 0.000 0.475 247 C N 0.816 120.036 119.300 -0.134 0.000 2.667 247 C HA 1.036 5.511 4.460 0.026 0.000 0.323 247 C C 0.656 175.568 174.990 -0.131 0.000 1.214 247 C CA 0.645 59.598 59.018 -0.109 0.000 1.721 247 C CB 1.045 28.749 27.740 -0.061 0.000 2.275 247 C HN 1.399 nan 8.230 nan 0.000 0.491 248 G N 1.567 110.301 108.800 -0.111 0.000 2.409 248 G HA2 0.017 3.993 3.960 0.026 0.000 0.421 248 G HA3 0.017 3.993 3.960 0.026 0.000 0.421 248 G C -1.024 173.803 174.900 -0.122 0.000 1.259 248 G CA -0.412 44.625 45.100 -0.104 0.000 1.011 248 G HN 0.926 nan 8.290 nan 0.000 0.497 249 E N 0.148 120.283 120.200 -0.108 0.000 2.194 249 E HA 0.447 4.812 4.350 0.026 0.000 0.284 249 E C 0.353 176.848 176.600 -0.175 0.000 1.035 249 E CA -0.565 55.764 56.400 -0.118 0.000 0.836 249 E CB 0.429 30.084 29.700 -0.074 0.000 1.070 249 E HN 0.474 nan 8.360 nan 0.000 0.401 250 L N 4.895 126.005 121.223 -0.189 0.000 2.453 250 L HA 0.205 4.560 4.340 0.026 0.000 0.272 250 L C 0.552 177.283 176.870 -0.232 0.000 1.182 250 L CA 0.242 54.942 54.840 -0.232 0.000 0.858 250 L CB 0.308 42.255 42.059 -0.187 0.000 1.120 250 L HN 0.459 nan 8.230 nan 0.000 0.474 251 R N 1.633 121.944 120.500 -0.316 0.000 2.698 251 R HA 0.175 4.530 4.340 0.026 0.000 0.275 251 R C -0.274 175.789 176.300 -0.395 0.000 1.001 251 R CA -0.814 55.021 56.100 -0.442 0.000 0.896 251 R CB 1.585 31.337 30.300 -0.913 0.000 1.218 251 R HN 0.504 nan 8.270 nan 0.000 0.462 252 D N 0.912 121.167 120.400 -0.243 0.000 2.265 252 D HA -0.148 4.507 4.640 0.026 0.000 0.208 252 D C 1.458 177.716 176.300 -0.070 0.000 0.977 252 D CA 1.537 55.477 54.000 -0.101 0.000 0.871 252 D CB 0.060 40.850 40.800 -0.016 0.000 0.925 252 D HN 0.565 nan 8.370 nan 0.000 0.485 253 Y N -0.460 119.852 120.300 0.021 0.000 2.529 253 Y HA 0.287 4.853 4.550 0.026 0.000 0.290 253 Y C 0.607 176.512 175.900 0.009 0.000 1.177 253 Y CA -0.509 57.600 58.100 0.015 0.000 1.305 253 Y CB -0.896 37.574 38.460 0.016 0.000 1.047 253 Y HN -0.192 nan 8.280 nan 0.000 0.522 254 L N 2.548 123.715 121.223 -0.093 0.000 2.436 254 L HA 0.358 4.714 4.340 0.026 0.000 0.265 254 L C 0.257 177.115 176.870 -0.019 0.000 1.168 254 L CA -0.221 54.637 54.840 0.029 0.000 0.815 254 L CB 0.567 42.668 42.059 0.070 0.000 1.109 254 L HN 0.164 nan 8.230 nan 0.000 0.462 255 R N 1.542 121.916 120.500 -0.210 0.000 2.774 255 R HA 0.655 5.011 4.340 0.026 0.000 0.272 255 R C -1.535 174.416 176.300 -0.581 0.000 1.000 255 R CA -0.810 55.024 56.100 -0.444 0.000 0.906 255 R CB 2.208 32.106 30.300 -0.670 0.000 1.227 255 R HN 0.264 nan 8.270 nan 0.000 0.468 256 V N 1.045 120.664 119.914 -0.492 0.000 2.540 256 V HA 0.464 4.600 4.120 0.026 0.000 0.302 256 V C -0.301 175.734 176.094 -0.097 0.000 1.035 256 V CA -0.500 61.613 62.300 -0.313 0.000 0.873 256 V CB 2.228 33.803 31.823 -0.415 0.000 0.992 256 V HN 0.712 nan 8.190 nan 0.000 0.428 257 T N 4.184 118.798 114.554 0.100 0.000 2.792 257 T HA 0.593 4.958 4.350 0.026 0.000 0.280 257 T C -0.596 174.119 174.700 0.025 0.000 0.990 257 T CA -0.343 61.824 62.100 0.113 0.000 0.960 257 T CB 1.600 70.578 68.868 0.184 0.000 0.939 257 T HN 0.335 nan 8.240 nan 0.000 0.439 258 V N 3.994 123.902 119.914 -0.009 0.000 2.409 258 V HA 0.648 4.784 4.120 0.026 0.000 0.291 258 V C 0.070 176.164 176.094 0.000 0.000 1.020 258 V CA -0.753 61.538 62.300 -0.015 0.000 0.848 258 V CB 1.608 33.412 31.823 -0.031 0.000 0.990 258 V HN 1.044 nan 8.190 nan 0.000 0.430 259 S N 5.406 121.129 115.700 0.039 0.000 2.536 259 S HA 0.881 5.366 4.470 0.026 0.000 0.298 259 S C -1.084 173.547 174.600 0.052 0.000 1.083 259 S CA -0.776 57.427 58.200 0.006 0.000 0.995 259 S CB 2.189 65.410 63.200 0.035 0.000 1.058 259 S HN 0.556 nan 8.310 nan 0.000 0.488 260 L N 2.013 123.183 121.223 -0.087 0.000 2.362 260 L HA 0.823 5.179 4.340 0.026 0.000 0.275 260 L C -2.028 174.803 176.870 -0.065 0.000 0.998 260 L CA -0.313 54.574 54.840 0.077 0.000 0.820 260 L CB 1.181 43.288 42.059 0.080 0.000 1.270 260 L HN 0.911 nan 8.230 nan 0.000 0.415 261 W N 3.499 124.904 121.300 0.175 0.000 2.844 261 W HA 0.602 5.278 4.660 0.025 0.000 0.340 261 W C -0.662 175.937 176.519 0.133 0.000 1.093 261 W CA -0.448 56.971 57.345 0.125 0.000 1.212 261 W CB 1.425 30.910 29.460 0.042 0.000 1.422 261 W HN 0.389 nan 8.180 nan 0.000 0.515 262 Q N 2.482 122.421 119.800 0.232 0.000 2.401 262 Q HA 0.468 4.824 4.340 0.026 0.000 0.260 262 Q C 0.627 176.633 176.000 0.010 0.000 1.034 262 Q CA 0.539 56.283 55.803 -0.099 0.000 0.737 262 Q CB 1.068 29.635 28.738 -0.284 0.000 1.227 262 Q HN 0.823 nan 8.270 nan 0.000 0.488 263 G N 3.993 112.803 108.800 0.016 0.000 2.561 263 G HA2 -0.334 3.641 3.960 0.026 0.000 0.289 263 G HA3 -0.334 3.641 3.960 0.026 0.000 0.289 263 G C 0.382 175.349 174.900 0.112 0.000 1.169 263 G CA 0.395 45.514 45.100 0.032 0.000 0.980 263 G HN 0.680 nan 8.290 nan 0.000 0.550 264 E N 1.165 121.428 120.200 0.105 0.000 2.479 264 E HA 0.154 4.520 4.350 0.026 0.000 0.193 264 E C 0.354 177.141 176.600 0.313 0.000 1.049 264 E CA 0.558 57.051 56.400 0.155 0.000 0.870 264 E CB 0.168 29.906 29.700 0.063 0.000 0.944 264 E HN 0.389 nan 8.360 nan 0.000 0.492 265 T N 1.206 115.921 114.554 0.269 0.000 2.767 265 T HA 0.142 4.508 4.350 0.026 0.000 0.288 265 T C -0.081 174.656 174.700 0.061 0.000 0.963 265 T CA -0.354 61.848 62.100 0.170 0.000 1.019 265 T CB 1.903 70.807 68.868 0.060 0.000 0.923 265 T HN 0.007 nan 8.240 nan 0.000 0.468 266 Q N 2.852 122.466 119.800 -0.310 0.000 2.279 266 Q HA 0.292 4.647 4.340 0.026 0.000 0.256 266 Q C 0.268 176.029 176.000 -0.399 0.000 0.937 266 Q CA -0.357 54.932 55.803 -0.856 0.000 0.933 266 Q CB 0.861 28.841 28.738 -1.263 0.000 1.189 266 Q HN 0.541 nan 8.270 nan 0.000 0.417 267 V N 2.849 122.584 119.914 -0.298 0.000 2.685 267 V HA 0.280 4.415 4.120 0.026 0.000 0.244 267 V C 0.297 176.302 176.094 -0.149 0.000 1.054 267 V CA 1.277 63.502 62.300 -0.124 0.000 1.076 267 V CB 0.419 32.261 31.823 0.032 0.000 0.725 267 V HN 0.825 nan 8.190 nan 0.000 0.467 268 A N -1.325 121.373 122.820 -0.203 0.000 2.566 268 A HA 0.773 5.108 4.320 0.026 0.000 0.290 268 A C -0.826 176.653 177.584 -0.174 0.000 1.071 268 A CA 0.135 52.079 52.037 -0.154 0.000 0.658 268 A CB 1.746 20.689 19.000 -0.094 0.000 1.285 268 A HN 0.101 nan 8.150 nan 0.000 0.427 269 S N -1.234 114.394 115.700 -0.121 0.000 2.543 269 S HA 0.759 5.244 4.470 0.026 0.000 0.274 269 S C -0.641 173.922 174.600 -0.061 0.000 1.149 269 S CA 0.267 58.410 58.200 -0.096 0.000 0.866 269 S CB 1.539 64.672 63.200 -0.112 0.000 1.111 269 S HN 2.404 nan 8.310 nan 0.000 0.457 270 G N 1.577 110.353 108.800 -0.041 0.000 2.706 270 G HA2 0.653 4.629 3.960 0.026 0.000 0.297 270 G HA3 0.653 4.629 3.960 0.026 0.000 0.297 270 G C -1.395 173.492 174.900 -0.022 0.000 1.403 270 G CA -0.405 44.674 45.100 -0.035 0.000 0.954 270 G HN 0.716 nan 8.290 nan 0.000 0.500 271 T N -0.135 114.408 114.554 -0.018 0.000 2.893 271 T HA 0.846 5.212 4.350 0.026 0.000 0.293 271 T C -0.357 174.311 174.700 -0.053 0.000 1.027 271 T CA -0.032 62.063 62.100 -0.008 0.000 0.988 271 T CB 1.816 70.717 68.868 0.055 0.000 1.043 271 T HN 1.501 nan 8.240 nan 0.000 0.461 272 A N 3.475 126.228 122.820 -0.113 0.000 2.604 272 A HA 0.907 5.242 4.320 0.026 0.000 0.295 272 A C -3.076 174.376 177.584 -0.219 0.000 1.067 272 A CA -1.608 50.346 52.037 -0.138 0.000 0.683 272 A CB 1.383 20.299 19.000 -0.140 0.000 1.281 272 A HN 0.531 nan 8.150 nan 0.000 0.407 273 P HA 0.515 nan 4.420 nan 0.000 0.278 273 P C -0.562 176.621 177.300 -0.196 0.000 1.266 273 P CA -0.256 62.757 63.100 -0.146 0.000 0.807 273 P CB 0.399 32.075 31.700 -0.041 0.000 1.094 274 F N -0.122 119.786 119.950 -0.070 0.000 2.444 274 F HA 0.468 5.011 4.527 0.025 0.000 0.331 274 F C 1.467 177.248 175.800 -0.031 0.000 1.167 274 F CA 1.512 59.482 58.000 -0.051 0.000 1.262 274 F CB 0.299 39.264 39.000 -0.059 0.000 1.196 274 F HN 0.579 nan 8.300 nan 0.000 0.583 275 G N 1.416 110.348 108.800 0.220 0.000 2.648 275 G HA2 0.345 4.320 3.960 0.026 0.000 0.317 275 G HA3 0.345 4.320 3.960 0.026 0.000 0.317 275 G C -0.512 174.442 174.900 0.091 0.000 1.216 275 G CA -0.729 44.447 45.100 0.127 0.000 1.210 275 G HN 1.029 nan 8.290 nan 0.000 0.583 276 G N 0.735 109.609 108.800 0.123 0.000 2.580 276 G HA2 0.679 4.654 3.960 0.026 0.000 0.278 276 G HA3 0.679 4.654 3.960 0.026 0.000 0.278 276 G C 0.477 175.423 174.900 0.076 0.000 1.212 276 G CA 0.036 45.199 45.100 0.105 0.000 0.939 276 G HN 1.091 nan 8.290 nan 0.000 0.513 277 E N -0.570 119.668 120.200 0.062 0.000 2.408 277 E HA 0.080 4.446 4.350 0.026 0.000 0.259 277 E C -0.368 176.259 176.600 0.045 0.000 1.110 277 E CA -0.729 55.697 56.400 0.042 0.000 0.929 277 E CB 0.548 30.269 29.700 0.034 0.000 0.971 277 E HN 0.059 nan 8.360 nan 0.000 0.438 278 I N 2.323 122.906 120.570 0.022 0.000 2.752 278 I HA -0.148 4.038 4.170 0.026 0.000 0.289 278 I C 1.125 177.253 176.117 0.017 0.000 1.197 278 I CA 0.013 61.318 61.300 0.008 0.000 1.432 278 I CB 0.007 38.007 38.000 0.001 0.000 1.359 278 I HN 0.663 nan 8.210 nan 0.000 0.571 279 I N 4.010 124.583 120.570 0.006 0.000 3.445 279 I HA 0.078 4.264 4.170 0.026 0.000 0.288 279 I C 0.526 176.644 176.117 0.002 0.000 1.198 279 I CA 0.760 62.074 61.300 0.024 0.000 1.417 279 I CB -0.488 37.529 38.000 0.027 0.000 1.205 279 I HN 0.663 nan 8.210 nan 0.000 0.448 280 D N -1.342 119.044 120.400 -0.022 0.000 2.946 280 D HA 0.100 4.755 4.640 0.026 0.000 0.337 280 D C 0.353 176.637 176.300 -0.027 0.000 1.332 280 D CA -0.390 53.598 54.000 -0.020 0.000 0.935 280 D CB 0.503 41.291 40.800 -0.020 0.000 1.440 280 D HN -0.281 nan 8.370 nan 0.000 0.540 281 E N -0.985 119.202 120.200 -0.023 0.000 2.267 281 E HA -0.043 4.322 4.350 0.026 0.000 0.197 281 E C 1.343 177.924 176.600 -0.031 0.000 0.998 281 E CA 0.969 57.356 56.400 -0.022 0.000 0.830 281 E CB -0.050 29.640 29.700 -0.017 0.000 0.751 281 E HN 0.219 nan 8.360 nan 0.000 0.491 282 R N -0.397 120.076 120.500 -0.046 0.000 2.334 282 R HA 0.299 4.654 4.340 0.026 0.000 0.216 282 R C 0.846 177.104 176.300 -0.070 0.000 0.905 282 R CA 0.712 56.778 56.100 -0.057 0.000 1.064 282 R CB 0.661 30.921 30.300 -0.067 0.000 1.046 282 R HN 0.206 nan 8.270 nan 0.000 0.508 283 G N -0.668 108.092 108.800 -0.067 0.000 2.341 283 G HA2 -0.062 3.914 3.960 0.026 0.000 0.196 283 G HA3 -0.062 3.914 3.960 0.026 0.000 0.196 283 G C -0.332 174.512 174.900 -0.093 0.000 1.231 283 G CA -0.625 44.434 45.100 -0.068 0.000 1.155 283 G HN 0.434 nan 8.290 nan 0.000 0.529 284 G N -1.959 106.782 108.800 -0.098 0.000 3.211 284 G HA2 0.639 4.615 3.960 0.026 0.000 0.262 284 G HA3 0.639 4.615 3.960 0.026 0.000 0.262 284 G C -1.548 173.236 174.900 -0.194 0.000 1.352 284 G CA -0.759 44.283 45.100 -0.097 0.000 1.004 284 G HN 0.752 nan 8.290 nan 0.000 0.559 285 Y N 1.022 121.333 120.300 0.019 0.000 2.477 285 Y HA 0.420 4.985 4.550 0.025 0.000 0.349 285 Y C 1.446 177.366 175.900 0.033 0.000 0.977 285 Y CA 0.097 58.210 58.100 0.022 0.000 1.214 285 Y CB 1.683 40.162 38.460 0.032 0.000 1.124 285 Y HN 0.532 nan 8.280 nan 0.000 0.521 286 A N 1.739 124.619 122.820 0.101 0.000 2.119 286 A HA -0.137 4.198 4.320 0.026 0.000 0.217 286 A C 1.315 178.952 177.584 0.088 0.000 1.153 286 A CA 1.343 53.425 52.037 0.076 0.000 0.692 286 A CB -0.273 18.733 19.000 0.010 0.000 0.799 286 A HN 0.788 nan 8.150 nan 0.000 0.458 287 D N -0.884 119.568 120.400 0.086 0.000 2.358 287 D HA 0.157 4.813 4.640 0.026 0.000 0.224 287 D C 0.457 176.828 176.300 0.119 0.000 1.123 287 D CA -0.033 53.937 54.000 -0.051 0.000 0.833 287 D CB -0.021 40.733 40.800 -0.077 0.000 0.946 287 D HN 0.367 nan 8.370 nan 0.000 0.505 288 R N -0.764 119.931 120.500 0.326 0.000 2.808 288 R HA 0.734 5.090 4.340 0.026 0.000 0.272 288 R C -1.650 174.816 176.300 0.277 0.000 0.995 288 R CA -1.116 55.173 56.100 0.316 0.000 0.917 288 R CB 3.078 33.434 30.300 0.093 0.000 1.217 288 R HN -0.015 nan 8.270 nan 0.000 0.471 289 V N 0.391 120.353 119.914 0.080 0.000 3.012 289 V HA 0.519 4.655 4.120 0.026 0.000 0.307 289 V C -1.443 174.608 176.094 -0.072 0.000 1.166 289 V CA -0.294 61.964 62.300 -0.069 0.000 0.974 289 V CB 2.742 34.386 31.823 -0.298 0.000 1.040 289 V HN 0.798 nan 8.190 nan 0.000 0.428 290 T N 7.330 121.850 114.554 -0.056 0.000 2.786 290 T HA 0.574 4.939 4.350 0.026 0.000 0.283 290 T C -0.854 173.813 174.700 -0.056 0.000 0.992 290 T CA -0.373 61.699 62.100 -0.045 0.000 0.954 290 T CB 0.939 69.794 68.868 -0.022 0.000 0.934 290 T HN 0.423 nan 8.240 nan 0.000 0.440 291 L N 3.698 124.887 121.223 -0.057 0.000 2.322 291 L HA 0.579 4.935 4.340 0.026 0.000 0.279 291 L C 0.470 177.315 176.870 -0.041 0.000 1.036 291 L CA -0.443 54.364 54.840 -0.056 0.000 0.807 291 L CB 1.366 43.389 42.059 -0.059 0.000 1.226 291 L HN 0.534 nan 8.230 nan 0.000 0.433 292 R N 4.398 124.874 120.500 -0.040 0.000 2.451 292 R HA 0.639 4.994 4.340 0.026 0.000 0.307 292 R C -1.205 175.072 176.300 -0.038 0.000 0.965 292 R CA -0.695 55.382 56.100 -0.039 0.000 0.865 292 R CB 2.019 32.297 30.300 -0.038 0.000 1.174 292 R HN 0.478 nan 8.270 nan 0.000 0.455 293 L N 2.998 124.200 121.223 -0.035 0.000 2.333 293 L HA 0.424 4.779 4.340 0.026 0.000 0.280 293 L C -0.336 176.512 176.870 -0.036 0.000 1.004 293 L CA -0.973 53.846 54.840 -0.035 0.000 0.820 293 L CB 1.981 44.024 42.059 -0.026 0.000 1.247 293 L HN 0.506 nan 8.230 nan 0.000 0.416 294 N N 1.632 120.304 118.700 -0.046 0.000 2.514 294 N HA 0.441 5.196 4.740 0.026 0.000 0.277 294 N C -1.052 174.416 175.510 -0.070 0.000 1.126 294 N CA -0.284 52.734 53.050 -0.054 0.000 0.978 294 N CB 1.739 40.197 38.487 -0.050 0.000 1.106 294 N HN 0.190 nan 8.380 nan 0.000 0.461 295 V N 1.757 121.615 119.914 -0.094 0.000 2.482 295 V HA 0.257 4.393 4.120 0.026 0.000 0.295 295 V C -0.499 175.514 176.094 -0.135 0.000 1.026 295 V CA -0.830 61.376 62.300 -0.157 0.000 0.856 295 V CB 1.508 33.137 31.823 -0.323 0.000 1.001 295 V HN 0.575 nan 8.190 nan 0.000 0.424 296 E N 2.812 122.956 120.200 -0.092 0.000 2.266 296 E HA 0.354 4.720 4.350 0.026 0.000 0.277 296 E C 0.255 176.829 176.600 -0.042 0.000 1.018 296 E CA -0.453 55.916 56.400 -0.051 0.000 0.840 296 E CB 0.805 30.486 29.700 -0.031 0.000 1.082 296 E HN 0.742 nan 8.360 nan 0.000 0.395 297 N N 0.780 119.477 118.700 -0.006 0.000 2.725 297 N HA -0.150 4.606 4.740 0.026 0.000 0.251 297 N C -2.474 173.037 175.510 0.001 0.000 1.031 297 N CA 0.214 53.275 53.050 0.019 0.000 0.720 297 N CB -1.138 37.364 38.487 0.025 0.000 0.930 297 N HN 0.314 nan 8.380 nan 0.000 0.543 298 P HA -0.022 nan 4.420 nan 0.000 0.267 298 P C -0.415 176.918 177.300 0.055 0.000 1.200 298 P CA 0.436 63.439 63.100 -0.163 0.000 0.772 298 P CB 0.692 32.137 31.700 -0.424 0.000 0.855 299 K N 2.689 123.211 120.400 0.203 0.000 2.349 299 K HA 0.276 4.611 4.320 0.026 0.000 0.289 299 K C 0.256 177.020 176.600 0.273 0.000 1.064 299 K CA -0.373 56.032 56.287 0.196 0.000 0.947 299 K CB 0.175 32.771 32.500 0.160 0.000 1.007 299 K HN 0.423 nan 8.250 nan 0.000 0.478 300 L N 2.585 123.900 121.223 0.153 0.000 2.395 300 L HA 0.271 4.626 4.340 0.026 0.000 0.269 300 L C 0.021 176.975 176.870 0.140 0.000 1.133 300 L CA -0.741 54.190 54.840 0.152 0.000 0.812 300 L CB 0.427 42.416 42.059 -0.118 0.000 1.125 300 L HN 0.615 nan 8.230 nan 0.000 0.452 301 W N 3.106 124.436 121.300 0.050 0.000 2.376 301 W HA 0.464 5.139 4.660 0.024 0.000 0.322 301 W C -0.012 176.452 176.519 -0.091 0.000 1.160 301 W CA 0.095 57.455 57.345 0.025 0.000 1.218 301 W CB 1.314 30.843 29.460 0.114 0.000 1.205 301 W HN 0.598 nan 8.180 nan 0.000 0.559 302 S N 2.851 118.027 115.700 -0.874 0.000 2.615 302 S HA 0.627 5.113 4.470 0.026 0.000 0.269 302 S C -0.001 173.826 174.600 -1.289 0.000 1.161 302 S CA -0.371 57.360 58.200 -0.782 0.000 0.817 302 S CB 1.124 64.119 63.200 -0.341 0.000 1.131 302 S HN 1.029 nan 8.310 nan 0.000 0.467 303 A N 0.252 122.479 122.820 -0.989 0.000 2.119 303 A HA 0.113 4.448 4.320 0.026 0.000 0.217 303 A C 1.669 178.934 177.584 -0.531 0.000 1.153 303 A CA 1.223 52.689 52.037 -0.952 0.000 0.692 303 A CB -0.840 17.482 19.000 -1.131 0.000 0.799 303 A HN 0.856 nan 8.150 nan 0.000 0.458 304 E N -0.746 119.274 120.200 -0.301 0.000 2.076 304 E HA 0.110 4.476 4.350 0.026 0.000 0.190 304 E C -0.217 176.243 176.600 -0.234 0.000 0.979 304 E CA 0.642 56.925 56.400 -0.194 0.000 0.807 304 E CB 0.100 29.811 29.700 0.019 0.000 0.761 304 E HN 0.563 nan 8.360 nan 0.000 0.454 305 I N 2.048 122.457 120.570 -0.269 0.000 2.560 305 I HA 0.149 4.335 4.170 0.026 0.000 0.278 305 I C -2.471 173.429 176.117 -0.360 0.000 1.089 305 I CA -1.864 59.299 61.300 -0.228 0.000 1.086 305 I CB 2.288 40.207 38.000 -0.136 0.000 1.202 305 I HN -0.200 nan 8.210 nan 0.000 0.471 306 P HA 0.063 nan 4.420 nan 0.000 0.225 306 P C -0.554 176.744 177.300 -0.002 0.000 1.768 306 P CA -0.208 62.603 63.100 -0.482 0.000 0.943 306 P CB -0.288 31.277 31.700 -0.225 0.000 1.936 307 N N 1.590 120.311 118.700 0.036 0.000 2.454 307 N HA 0.129 4.884 4.740 0.026 0.000 0.260 307 N C 0.118 175.853 175.510 0.374 0.000 1.218 307 N CA 0.441 53.587 53.050 0.159 0.000 0.904 307 N CB 0.799 39.376 38.487 0.149 0.000 1.065 307 N HN 0.303 nan 8.380 nan 0.000 0.462 308 L N 2.313 123.679 121.223 0.238 0.000 2.370 308 L HA 0.470 4.826 4.340 0.026 0.000 0.266 308 L C -0.778 176.197 176.870 0.175 0.000 1.002 308 L CA -0.860 54.166 54.840 0.310 0.000 0.818 308 L CB 1.261 43.464 42.059 0.240 0.000 1.325 308 L HN 0.385 nan 8.230 nan 0.000 0.418 309 Y N 0.359 120.813 120.300 0.257 0.000 2.631 309 Y HA 0.664 5.230 4.550 0.026 0.000 0.328 309 Y C -0.146 175.874 175.900 0.200 0.000 1.118 309 Y CA -0.872 57.378 58.100 0.251 0.000 1.206 309 Y CB 1.497 40.172 38.460 0.358 0.000 1.337 309 Y HN 0.379 nan 8.280 nan 0.000 0.515 310 R N 0.937 121.665 120.500 0.381 0.000 2.439 310 R HA 0.772 5.128 4.340 0.026 0.000 0.310 310 R C -1.597 174.882 176.300 0.298 0.000 0.955 310 R CA -0.496 55.758 56.100 0.257 0.000 0.853 310 R CB 0.981 31.368 30.300 0.144 0.000 1.171 310 R HN 0.739 nan 8.270 nan 0.000 0.449 311 A N 3.882 126.823 122.820 0.203 0.000 2.274 311 A HA 0.596 4.931 4.320 0.026 0.000 0.309 311 A C -0.905 176.729 177.584 0.084 0.000 1.226 311 A CA -0.575 51.556 52.037 0.158 0.000 0.853 311 A CB 1.086 20.149 19.000 0.106 0.000 1.146 311 A HN 0.490 nan 8.150 nan 0.000 0.518 312 V N 3.599 123.566 119.914 0.090 0.000 2.448 312 V HA 0.384 4.519 4.120 0.026 0.000 0.295 312 V C -0.399 175.666 176.094 -0.048 0.000 1.025 312 V CA -0.474 61.822 62.300 -0.006 0.000 0.859 312 V CB 1.713 33.552 31.823 0.027 0.000 0.988 312 V HN 0.623 nan 8.190 nan 0.000 0.431 313 V N 4.882 124.704 119.914 -0.154 0.000 2.334 313 V HA 0.438 4.574 4.120 0.026 0.000 0.281 313 V C -0.084 175.954 176.094 -0.094 0.000 1.016 313 V CA -0.563 61.628 62.300 -0.182 0.000 0.832 313 V CB 1.337 32.899 31.823 -0.435 0.000 0.999 313 V HN 0.915 nan 8.190 nan 0.000 0.439 314 E N 3.672 123.868 120.200 -0.006 0.000 2.179 314 E HA 0.539 4.904 4.350 0.026 0.000 0.275 314 E C -1.122 175.564 176.600 0.145 0.000 0.945 314 E CA -0.893 55.551 56.400 0.073 0.000 0.792 314 E CB 2.553 32.319 29.700 0.111 0.000 1.125 314 E HN 0.450 nan 8.360 nan 0.000 0.397 315 L N 4.417 125.710 121.223 0.116 0.000 2.272 315 L HA 0.425 4.781 4.340 0.026 0.000 0.289 315 L C -1.022 175.953 176.870 0.175 0.000 1.032 315 L CA 0.066 54.963 54.840 0.094 0.000 0.810 315 L CB 0.167 42.269 42.059 0.072 0.000 1.205 315 L HN 0.704 nan 8.230 nan 0.000 0.422 316 H N 0.145 119.254 119.070 0.065 0.000 2.918 316 H HA 0.787 5.358 4.556 0.026 0.000 0.303 316 H C -0.787 174.611 175.328 0.116 0.000 1.380 316 H CA -0.532 55.559 56.048 0.071 0.000 1.134 316 H CB 0.707 30.493 29.762 0.040 0.000 1.842 316 H HN 0.506 nan 8.280 nan 0.000 0.533 317 T N -2.213 112.500 114.554 0.265 0.000 2.927 317 T HA 0.571 4.937 4.350 0.026 0.000 0.281 317 T C 1.362 176.214 174.700 0.253 0.000 0.998 317 T CA -0.414 61.830 62.100 0.241 0.000 1.019 317 T CB 1.583 70.542 68.868 0.152 0.000 1.061 317 T HN 0.916 nan 8.240 nan 0.000 0.518 318 A N 0.951 123.887 122.820 0.193 0.000 1.972 318 A HA -0.057 4.279 4.320 0.026 0.000 0.219 318 A C 1.758 179.415 177.584 0.122 0.000 1.169 318 A CA 1.765 53.896 52.037 0.156 0.000 0.635 318 A CB -1.212 17.863 19.000 0.125 0.000 0.810 318 A HN 1.002 nan 8.150 nan 0.000 0.446 319 D N -2.375 118.069 120.400 0.073 0.000 2.378 319 D HA 0.294 4.950 4.640 0.026 0.000 0.227 319 D C 1.072 177.398 176.300 0.044 0.000 1.012 319 D CA 0.952 54.972 54.000 0.034 0.000 0.905 319 D CB -0.418 40.372 40.800 -0.016 0.000 0.895 319 D HN 0.744 nan 8.370 nan 0.000 0.532 320 G N -1.174 107.684 108.800 0.097 0.000 2.144 320 G HA2 -0.221 3.754 3.960 0.026 0.000 0.218 320 G HA3 -0.221 3.754 3.960 0.026 0.000 0.218 320 G C 0.185 175.102 174.900 0.029 0.000 0.988 320 G CA 0.083 45.209 45.100 0.043 0.000 0.659 320 G HN 0.413 nan 8.290 nan 0.000 0.522 321 T N 1.199 115.792 114.554 0.065 0.000 2.806 321 T HA 0.553 4.919 4.350 0.026 0.000 0.290 321 T C 0.259 175.012 174.700 0.089 0.000 0.966 321 T CA -0.297 61.832 62.100 0.047 0.000 1.060 321 T CB 2.026 70.913 68.868 0.032 0.000 0.927 321 T HN 0.569 nan 8.240 nan 0.000 0.485 322 L N 4.365 125.621 121.223 0.055 0.000 2.380 322 L HA 0.390 4.746 4.340 0.026 0.000 0.273 322 L C 0.701 177.621 176.870 0.083 0.000 1.138 322 L CA 0.327 55.216 54.840 0.082 0.000 0.832 322 L CB 0.164 42.244 42.059 0.035 0.000 1.124 322 L HN 0.713 nan 8.230 nan 0.000 0.454 323 I N 2.289 122.920 120.570 0.103 0.000 2.512 323 I HA 0.142 4.328 4.170 0.026 0.000 0.247 323 I C 0.253 176.397 176.117 0.044 0.000 1.094 323 I CA 0.446 61.788 61.300 0.070 0.000 1.427 323 I CB 0.127 38.172 38.000 0.076 0.000 1.149 323 I HN 0.807 nan 8.210 nan 0.000 0.438 324 E N 0.158 120.385 120.200 0.045 0.000 2.422 324 E HA 0.712 5.078 4.350 0.026 0.000 0.280 324 E C -1.511 175.114 176.600 0.042 0.000 1.091 324 E CA -1.106 55.313 56.400 0.032 0.000 0.849 324 E CB 1.714 31.400 29.700 -0.024 0.000 1.353 324 E HN -0.008 nan 8.360 nan 0.000 0.449 325 A N 0.899 123.768 122.820 0.082 0.000 2.414 325 A HA 0.708 5.043 4.320 0.026 0.000 0.306 325 A C -0.993 176.698 177.584 0.177 0.000 1.054 325 A CA -0.705 51.383 52.037 0.086 0.000 0.724 325 A CB 1.722 20.780 19.000 0.097 0.000 1.267 325 A HN 0.501 nan 8.150 nan 0.000 0.418 326 E N -0.391 119.842 120.200 0.056 0.000 2.370 326 E HA 0.877 5.242 4.350 0.026 0.000 0.259 326 E C -0.430 176.204 176.600 0.058 0.000 0.947 326 E CA -0.385 56.106 56.400 0.152 0.000 0.809 326 E CB 2.331 31.992 29.700 -0.066 0.000 1.300 326 E HN 1.333 nan 8.360 nan 0.000 0.419 327 A N -0.342 122.610 122.820 0.220 0.000 2.544 327 A HA 0.652 4.988 4.320 0.026 0.000 0.291 327 A C -1.279 176.492 177.584 0.311 0.000 1.055 327 A CA -0.286 51.809 52.037 0.097 0.000 0.651 327 A CB 0.465 19.462 19.000 -0.003 0.000 1.296 327 A HN 0.880 nan 8.150 nan 0.000 0.431 328 C N -0.669 118.768 119.300 0.229 0.000 3.311 328 C HA 0.820 5.296 4.460 0.026 0.000 0.325 328 C C -1.354 173.729 174.990 0.156 0.000 1.352 328 C CA -0.907 58.251 59.018 0.233 0.000 1.308 328 C CB 1.088 28.989 27.740 0.267 0.000 1.619 328 C HN 0.832 nan 8.230 nan 0.000 0.469 329 D N 0.981 121.457 120.400 0.127 0.000 2.302 329 D HA 0.561 5.217 4.640 0.026 0.000 0.248 329 D C -0.369 175.987 176.300 0.093 0.000 1.094 329 D CA 0.190 54.267 54.000 0.127 0.000 0.897 329 D CB 1.811 42.688 40.800 0.129 0.000 1.200 329 D HN 0.555 nan 8.370 nan 0.000 0.429 330 V N 1.106 121.104 119.914 0.140 0.000 2.540 330 V HA 0.665 4.800 4.120 0.026 0.000 0.302 330 V C 0.537 176.708 176.094 0.130 0.000 1.035 330 V CA -0.874 61.458 62.300 0.054 0.000 0.873 330 V CB 2.089 33.929 31.823 0.028 0.000 0.992 330 V HN 0.603 nan 8.190 nan 0.000 0.428 331 G N 3.000 111.769 108.800 -0.052 0.000 2.502 331 G HA2 0.600 4.575 3.960 0.026 0.000 0.311 331 G HA3 0.600 4.575 3.960 0.026 0.000 0.311 331 G C -0.983 173.992 174.900 0.124 0.000 1.270 331 G CA -0.383 44.768 45.100 0.085 0.000 0.948 331 G HN 0.431 nan 8.290 nan 0.000 0.487 332 F N 4.040 124.174 119.950 0.307 0.000 2.462 332 F HA 0.407 4.949 4.527 0.025 0.000 0.360 332 F C 1.192 177.237 175.800 0.408 0.000 1.134 332 F CA -0.042 58.204 58.000 0.410 0.000 1.148 332 F CB 0.583 39.826 39.000 0.406 0.000 1.147 332 F HN 0.454 nan 8.300 nan 0.000 0.550 333 R N 3.004 123.775 120.500 0.452 0.000 2.663 333 R HA 0.430 4.786 4.340 0.026 0.000 0.267 333 R C -1.830 174.611 176.300 0.234 0.000 1.038 333 R CA -0.813 55.390 56.100 0.172 0.000 0.886 333 R CB 1.664 32.114 30.300 0.251 0.000 1.249 333 R HN 0.565 nan 8.270 nan 0.000 0.463 334 E N 1.950 122.194 120.200 0.074 0.000 2.195 334 E HA 0.499 4.864 4.350 0.026 0.000 0.271 334 E C -1.285 175.380 176.600 0.108 0.000 0.923 334 E CA -0.974 55.554 56.400 0.212 0.000 0.790 334 E CB 2.230 32.141 29.700 0.353 0.000 1.155 334 E HN 0.388 nan 8.360 nan 0.000 0.402 335 V N 5.221 125.195 119.914 0.101 0.000 2.487 335 V HA 0.572 4.708 4.120 0.026 0.000 0.298 335 V C -0.308 175.824 176.094 0.063 0.000 1.028 335 V CA -0.625 61.705 62.300 0.051 0.000 0.860 335 V CB 1.411 33.243 31.823 0.015 0.000 0.991 335 V HN 0.747 nan 8.190 nan 0.000 0.427 336 R N 4.355 124.889 120.500 0.056 0.000 2.692 336 R HA 0.723 5.079 4.340 0.026 0.000 0.269 336 R C -2.160 174.166 176.300 0.043 0.000 1.030 336 R CA -0.923 55.213 56.100 0.061 0.000 0.882 336 R CB 1.995 32.346 30.300 0.086 0.000 1.250 336 R HN 0.516 nan 8.270 nan 0.000 0.465 337 I N 1.158 121.754 120.570 0.043 0.000 2.378 337 I HA 0.365 4.550 4.170 0.026 0.000 0.291 337 I C -0.710 175.429 176.117 0.037 0.000 0.992 337 I CA -0.491 60.828 61.300 0.032 0.000 1.154 337 I CB 1.962 39.982 38.000 0.034 0.000 1.315 337 I HN 0.699 nan 8.210 nan 0.000 0.448 338 E N 5.662 125.880 120.200 0.030 0.000 2.290 338 E HA 0.257 4.623 4.350 0.026 0.000 0.274 338 E C -0.231 176.383 176.600 0.022 0.000 0.889 338 E CA -0.536 55.883 56.400 0.032 0.000 0.760 338 E CB 1.109 30.835 29.700 0.042 0.000 1.206 338 E HN 0.547 nan 8.360 nan 0.000 0.419 339 N N 3.091 121.803 118.700 0.022 0.000 2.725 339 N HA -0.241 4.514 4.740 0.026 0.000 0.249 339 N C 0.424 175.940 175.510 0.009 0.000 1.103 339 N CA 2.154 55.213 53.050 0.015 0.000 0.707 339 N CB -1.131 37.364 38.487 0.013 0.000 1.043 339 N HN 0.964 nan 8.380 nan 0.000 0.553 340 G N -2.430 106.375 108.800 0.009 0.000 2.175 340 G HA2 -0.260 3.716 3.960 0.026 0.000 0.244 340 G HA3 -0.260 3.716 3.960 0.026 0.000 0.244 340 G C -0.147 174.747 174.900 -0.009 0.000 0.982 340 G CA 0.379 45.480 45.100 0.002 0.000 0.641 340 G HN 0.446 nan 8.290 nan 0.000 0.527 341 L N 0.041 121.259 121.223 -0.008 0.000 2.362 341 L HA 0.717 5.073 4.340 0.026 0.000 0.271 341 L C 0.044 176.902 176.870 -0.020 0.000 1.002 341 L CA -1.329 53.498 54.840 -0.022 0.000 0.818 341 L CB 1.951 43.997 42.059 -0.022 0.000 1.298 341 L HN 0.104 nan 8.230 nan 0.000 0.420 342 L N 4.194 125.393 121.223 -0.040 0.000 2.315 342 L HA 0.432 4.788 4.340 0.026 0.000 0.283 342 L C -0.852 175.991 176.870 -0.044 0.000 1.089 342 L CA 0.377 55.194 54.840 -0.038 0.000 0.833 342 L CB 0.332 42.356 42.059 -0.059 0.000 1.170 342 L HN 0.374 nan 8.230 nan 0.000 0.442 343 L N 5.928 127.141 121.223 -0.017 0.000 2.334 343 L HA 0.544 4.899 4.340 0.026 0.000 0.276 343 L C -0.806 176.061 176.870 -0.007 0.000 1.014 343 L CA -0.841 53.995 54.840 -0.007 0.000 0.815 343 L CB 1.819 43.897 42.059 0.031 0.000 1.268 343 L HN 0.538 nan 8.230 nan 0.000 0.428 344 L N 4.002 125.227 121.223 0.004 0.000 2.343 344 L HA 0.486 4.841 4.340 0.026 0.000 0.278 344 L C -0.219 176.643 176.870 -0.012 0.000 0.996 344 L CA 0.039 54.886 54.840 0.010 0.000 0.831 344 L CB 0.862 42.933 42.059 0.020 0.000 1.232 344 L HN 0.605 nan 8.230 nan 0.000 0.413 345 N N 4.081 122.621 118.700 -0.267 0.000 2.735 345 N HA -0.216 4.540 4.740 0.026 0.000 0.248 345 N C 0.926 176.021 175.510 -0.692 0.000 1.083 345 N CA 1.288 53.815 53.050 -0.872 0.000 0.703 345 N CB -1.393 36.503 38.487 -0.985 0.000 1.005 345 N HN 1.197 nan 8.380 nan 0.000 0.550 346 G N -2.029 106.675 108.800 -0.159 0.000 2.179 346 G HA2 -0.351 3.625 3.960 0.026 0.000 0.260 346 G HA3 -0.351 3.625 3.960 0.026 0.000 0.260 346 G C -0.044 174.881 174.900 0.041 0.000 0.977 346 G CA 0.938 46.083 45.100 0.075 0.000 0.641 346 G HN 0.422 nan 8.290 nan 0.000 0.533 347 K N 0.721 121.135 120.400 0.023 0.000 2.259 347 K HA 0.548 4.884 4.320 0.026 0.000 0.249 347 K C -2.838 173.733 176.600 -0.049 0.000 0.942 347 K CA -2.178 54.090 56.287 -0.032 0.000 0.816 347 K CB 2.545 34.962 32.500 -0.138 0.000 1.155 347 K HN 0.044 nan 8.250 nan 0.000 0.428 348 P HA 0.205 nan 4.420 nan 0.000 0.276 348 P C -0.146 177.088 177.300 -0.111 0.000 1.243 348 P CA -0.241 62.811 63.100 -0.081 0.000 0.768 348 P CB 0.467 32.124 31.700 -0.072 0.000 0.856 349 L N 3.398 124.552 121.223 -0.115 0.000 2.464 349 L HA 0.284 4.639 4.340 0.026 0.000 0.264 349 L C 0.673 177.461 176.870 -0.137 0.000 1.199 349 L CA -0.538 54.222 54.840 -0.132 0.000 0.818 349 L CB 0.269 42.209 42.059 -0.198 0.000 1.102 349 L HN 0.273 nan 8.230 nan 0.000 0.473 350 L N 3.741 124.900 121.223 -0.106 0.000 2.442 350 L HA 0.414 4.769 4.340 0.026 0.000 0.261 350 L C -0.578 176.246 176.870 -0.076 0.000 1.000 350 L CA -0.216 54.547 54.840 -0.129 0.000 0.882 350 L CB 0.787 42.796 42.059 -0.083 0.000 1.207 350 L HN 0.247 nan 8.230 nan 0.000 0.443 351 I N 4.601 125.061 120.570 -0.184 0.000 2.421 351 I HA 0.172 4.357 4.170 0.026 0.000 0.291 351 I C 0.588 176.675 176.117 -0.049 0.000 1.089 351 I CA 0.275 61.483 61.300 -0.152 0.000 1.354 351 I CB 0.352 38.139 38.000 -0.355 0.000 1.413 351 I HN 0.560 nan 8.210 nan 0.000 0.513 352 R N 4.800 125.353 120.500 0.088 0.000 3.070 352 R HA 0.440 4.796 4.340 0.026 0.000 0.252 352 R C 0.517 176.937 176.300 0.200 0.000 1.370 352 R CA -0.273 55.919 56.100 0.154 0.000 1.482 352 R CB 0.839 31.047 30.300 -0.152 0.000 1.220 352 R HN 0.768 nan 8.270 nan 0.000 0.622 353 G N 0.154 109.034 108.800 0.134 0.000 2.509 353 G HA2 0.582 4.558 3.960 0.026 0.000 0.328 353 G HA3 0.582 4.558 3.960 0.026 0.000 0.328 353 G C -1.277 173.909 174.900 0.477 0.000 1.194 353 G CA -0.470 44.685 45.100 0.091 0.000 0.967 353 G HN 0.240 nan 8.290 nan 0.000 0.488 354 V N 0.228 120.402 119.914 0.434 0.000 2.932 354 V HA 0.450 4.586 4.120 0.026 0.000 0.307 354 V C -1.114 175.111 176.094 0.219 0.000 1.147 354 V CA -1.223 61.220 62.300 0.238 0.000 0.951 354 V CB 2.170 33.842 31.823 -0.251 0.000 1.031 354 V HN 0.757 nan 8.190 nan 0.000 0.426 355 N N 4.388 123.136 118.700 0.081 0.000 2.529 355 N HA 0.417 5.173 4.740 0.026 0.000 0.278 355 N C -0.651 174.658 175.510 -0.335 0.000 1.146 355 N CA -0.184 52.766 53.050 -0.167 0.000 0.980 355 N CB 1.326 39.612 38.487 -0.334 0.000 1.124 355 N HN 0.651 nan 8.380 nan 0.000 0.458 356 R N 2.037 122.314 120.500 -0.372 0.000 2.510 356 R HA 0.207 4.563 4.340 0.026 0.000 0.294 356 R C -0.954 175.115 176.300 -0.384 0.000 1.056 356 R CA -0.549 55.361 56.100 -0.316 0.000 0.918 356 R CB 0.835 30.936 30.300 -0.331 0.000 1.187 356 R HN 0.595 nan 8.270 nan 0.000 0.437 357 H N 2.030 120.972 119.070 -0.212 0.000 2.546 357 H HA 0.131 4.703 4.556 0.026 0.000 0.365 357 H C -0.486 174.855 175.328 0.021 0.000 1.220 357 H CA 0.096 56.114 56.048 -0.049 0.000 1.386 357 H CB 1.390 31.192 29.762 0.068 0.000 1.510 357 H HN 0.551 nan 8.280 nan 0.000 0.591 358 E N 1.655 122.055 120.200 0.334 0.000 1.996 358 E HA 0.109 4.475 4.350 0.026 0.000 0.280 358 E C -0.791 175.970 176.600 0.268 0.000 1.092 358 E CA -0.005 56.516 56.400 0.202 0.000 0.862 358 E CB 0.252 30.098 29.700 0.243 0.000 1.066 358 E HN 0.383 nan 8.360 nan 0.000 0.396 359 H N 1.773 120.916 119.070 0.122 0.000 2.954 359 H HA 0.247 4.819 4.556 0.026 0.000 0.361 359 H C -1.738 173.654 175.328 0.106 0.000 1.122 359 H CA -0.662 55.453 56.048 0.112 0.000 1.217 359 H CB 1.081 30.899 29.762 0.094 0.000 1.776 359 H HN 0.407 nan 8.280 nan 0.000 0.533 360 H N 6.245 124.915 119.070 -0.668 0.000 2.689 360 H HA 0.221 4.792 4.556 0.026 0.000 0.346 360 H C -2.311 172.672 175.328 -0.576 0.000 1.037 360 H CA -2.391 53.422 56.048 -0.392 0.000 1.234 360 H CB 2.745 32.402 29.762 -0.174 0.000 1.572 360 H HN 0.540 nan 8.280 nan 0.000 0.524 361 P HA -0.083 nan 4.420 nan 0.000 0.221 361 P C 1.076 178.276 177.300 -0.166 0.000 1.145 361 P CA 0.836 63.788 63.100 -0.246 0.000 0.795 361 P CB 0.782 32.371 31.700 -0.185 0.000 0.775 362 L N -2.183 119.031 121.223 -0.014 0.000 2.467 362 L HA 0.153 4.508 4.340 0.026 0.000 0.213 362 L C 2.063 178.797 176.870 -0.227 0.000 1.053 362 L CA 0.450 55.190 54.840 -0.166 0.000 0.847 362 L CB -0.533 41.318 42.059 -0.346 0.000 1.075 362 L HN -0.012 nan 8.230 nan 0.000 0.479 363 H N -0.424 118.655 119.070 0.015 0.000 2.551 363 H HA 0.278 4.849 4.556 0.026 0.000 0.271 363 H C 1.424 176.652 175.328 -0.168 0.000 0.984 363 H CA 0.180 56.117 56.048 -0.185 0.000 1.164 363 H CB 0.504 30.024 29.762 -0.403 0.000 1.437 363 H HN 0.380 nan 8.280 nan 0.000 0.550 364 G N 1.497 110.216 108.800 -0.135 0.000 2.559 364 G HA2 -0.384 3.591 3.960 0.026 0.000 0.282 364 G HA3 -0.384 3.591 3.960 0.026 0.000 0.282 364 G C 0.670 175.473 174.900 -0.161 0.000 1.177 364 G CA 0.377 45.342 45.100 -0.226 0.000 0.960 364 G HN 0.459 nan 8.290 nan 0.000 0.540 365 Q N -0.136 119.612 119.800 -0.088 0.000 2.194 365 Q HA 0.465 4.820 4.340 0.026 0.000 0.214 365 Q C 0.278 176.384 176.000 0.178 0.000 0.838 365 Q CA -0.109 55.694 55.803 0.000 0.000 0.972 365 Q CB 1.529 30.160 28.738 -0.180 0.000 1.131 365 Q HN 0.382 nan 8.270 nan 0.000 0.498 366 V N 2.137 122.128 119.914 0.129 0.000 2.488 366 V HA 0.158 4.293 4.120 0.026 0.000 0.277 366 V C 0.177 176.321 176.094 0.083 0.000 1.046 366 V CA 0.207 62.586 62.300 0.132 0.000 0.986 366 V CB 0.869 32.701 31.823 0.015 0.000 0.989 366 V HN 0.308 nan 8.190 nan 0.000 0.475 367 M N 5.282 124.936 119.600 0.089 0.000 2.472 367 M HA 0.502 4.998 4.480 0.026 0.000 0.331 367 M C -0.388 175.869 176.300 -0.071 0.000 1.170 367 M CA -0.575 54.733 55.300 0.013 0.000 1.009 367 M CB 1.846 34.410 32.600 -0.059 0.000 1.672 367 M HN 0.846 nan 8.290 nan 0.000 0.453 368 D N 0.305 120.678 120.400 -0.046 0.000 2.490 368 D HA 0.217 4.872 4.640 0.026 0.000 0.232 368 D C 0.132 176.418 176.300 -0.023 0.000 1.053 368 D CA -0.437 53.535 54.000 -0.047 0.000 0.914 368 D CB 1.941 42.735 40.800 -0.010 0.000 1.431 368 D HN 0.737 nan 8.370 nan 0.000 0.483 369 E N 0.228 120.425 120.200 -0.005 0.000 2.118 369 E HA -0.282 4.083 4.350 0.026 0.000 0.195 369 E C 1.731 178.379 176.600 0.080 0.000 0.992 369 E CA 1.258 57.683 56.400 0.042 0.000 0.804 369 E CB 0.162 29.902 29.700 0.065 0.000 0.741 369 E HN 0.530 nan 8.360 nan 0.000 0.458 370 Q N -0.282 119.567 119.800 0.081 0.000 2.061 370 Q HA -0.154 4.202 4.340 0.026 0.000 0.204 370 Q C 2.018 178.085 176.000 0.112 0.000 0.984 370 Q CA 2.130 57.990 55.803 0.096 0.000 0.846 370 Q CB -0.028 28.767 28.738 0.095 0.000 0.902 370 Q HN 0.301 nan 8.270 nan 0.000 0.421 371 T N 0.967 115.598 114.554 0.128 0.000 2.777 371 T HA -0.117 4.249 4.350 0.026 0.000 0.266 371 T C 1.873 176.664 174.700 0.152 0.000 1.040 371 T CA 1.357 63.548 62.100 0.152 0.000 1.141 371 T CB -0.129 68.857 68.868 0.198 0.000 0.868 371 T HN 0.292 nan 8.240 nan 0.000 0.444 372 M N 0.594 120.283 119.600 0.149 0.000 2.065 372 M HA -0.119 4.376 4.480 0.026 0.000 0.259 372 M C 2.467 178.898 176.300 0.217 0.000 1.069 372 M CA 1.485 56.941 55.300 0.260 0.000 1.110 372 M CB -0.716 32.061 32.600 0.295 0.000 1.328 372 M HN 0.106 nan 8.290 nan 0.000 0.405 373 V N 0.174 120.157 119.914 0.116 0.000 2.343 373 V HA -0.298 3.837 4.120 0.026 0.000 0.247 373 V C 2.323 178.411 176.094 -0.011 0.000 1.051 373 V CA 2.129 64.432 62.300 0.006 0.000 1.036 373 V CB -0.915 30.947 31.823 0.064 0.000 0.654 373 V HN 0.563 nan 8.190 nan 0.000 0.451 374 Q N -0.246 119.596 119.800 0.070 0.000 2.096 374 Q HA -0.271 4.085 4.340 0.026 0.000 0.204 374 Q C 1.960 178.036 176.000 0.126 0.000 0.982 374 Q CA 2.149 58.007 55.803 0.091 0.000 0.850 374 Q CB -0.139 28.671 28.738 0.120 0.000 0.901 374 Q HN 0.615 nan 8.270 nan 0.000 0.422 375 D N 0.265 120.765 120.400 0.167 0.000 2.117 375 D HA -0.132 4.523 4.640 0.026 0.000 0.197 375 D C 1.875 178.144 176.300 -0.052 0.000 0.987 375 D CA 1.081 55.188 54.000 0.179 0.000 0.829 375 D CB -0.125 40.773 40.800 0.164 0.000 0.961 375 D HN 0.361 nan 8.370 nan 0.000 0.460 376 I N 0.465 120.991 120.570 -0.073 0.000 2.315 376 I HA -0.198 3.987 4.170 0.026 0.000 0.248 376 I C 2.344 178.316 176.117 -0.243 0.000 1.117 376 I CA 0.483 61.629 61.300 -0.257 0.000 1.404 376 I CB 0.004 37.736 38.000 -0.446 0.000 1.071 376 I HN -0.016 nan 8.210 nan 0.000 0.419 377 L N -0.011 121.101 121.223 -0.185 0.000 2.056 377 L HA -0.210 4.145 4.340 0.026 0.000 0.207 377 L C 2.481 179.405 176.870 0.091 0.000 1.078 377 L CA 1.278 56.090 54.840 -0.046 0.000 0.749 377 L CB -0.411 41.643 42.059 -0.008 0.000 0.901 377 L HN 0.268 nan 8.230 nan 0.000 0.433 378 L N -1.098 120.206 121.223 0.135 0.000 2.093 378 L HA -0.225 4.130 4.340 0.026 0.000 0.208 378 L C 2.642 179.679 176.870 0.278 0.000 1.085 378 L CA 1.195 56.205 54.840 0.282 0.000 0.755 378 L CB -0.287 42.071 42.059 0.498 0.000 0.904 378 L HN 0.291 nan 8.230 nan 0.000 0.435 379 M N -0.549 119.043 119.600 -0.014 0.000 2.067 379 M HA -0.246 4.249 4.480 0.026 0.000 0.260 379 M C 2.308 178.698 176.300 0.149 0.000 1.069 379 M CA 1.897 57.118 55.300 -0.131 0.000 1.117 379 M CB -0.358 31.927 32.600 -0.523 0.000 1.334 379 M HN 0.077 nan 8.290 nan 0.000 0.407 380 K N 0.000 120.392 120.400 -0.014 0.000 2.097 380 K HA -0.184 4.152 4.320 0.026 0.000 0.206 380 K C 1.950 178.545 176.600 -0.008 0.000 1.049 380 K CA 1.321 57.498 56.287 -0.184 0.000 0.933 380 K CB -0.229 31.989 32.500 -0.471 0.000 0.717 380 K HN 0.475 nan 8.250 nan 0.000 0.442 381 Q N 0.340 120.302 119.800 0.270 0.000 2.224 381 Q HA -0.045 4.310 4.340 0.026 0.000 0.203 381 Q C 0.857 177.154 176.000 0.495 0.000 0.970 381 Q CA 0.756 56.827 55.803 0.447 0.000 0.865 381 Q CB 0.111 29.081 28.738 0.387 0.000 0.922 381 Q HN 0.279 nan 8.270 nan 0.000 0.445 382 N N 0.715 119.658 118.700 0.406 0.000 2.320 382 N HA 0.055 4.810 4.740 0.026 0.000 0.237 382 N C -0.644 174.962 175.510 0.160 0.000 1.129 382 N CA 0.026 53.303 53.050 0.378 0.000 0.854 382 N CB 0.644 39.437 38.487 0.510 0.000 1.083 382 N HN 0.187 nan 8.380 nan 0.000 0.504 383 N N 0.051 118.856 118.700 0.176 0.000 2.782 383 N HA -0.187 4.569 4.740 0.026 0.000 0.251 383 N C -0.778 174.630 175.510 -0.170 0.000 1.101 383 N CA 0.822 53.919 53.050 0.078 0.000 0.764 383 N CB -1.728 36.756 38.487 -0.005 0.000 1.122 383 N HN 0.251 nan 8.380 nan 0.000 0.561 384 F N 1.242 121.214 119.950 0.036 0.000 2.379 384 F HA 0.317 4.859 4.527 0.025 0.000 0.332 384 F C 1.769 177.563 175.800 -0.009 0.000 1.096 384 F CA -0.538 57.464 58.000 0.004 0.000 1.105 384 F CB 0.814 39.788 39.000 -0.044 0.000 1.189 384 F HN 0.031 nan 8.300 nan 0.000 0.515 385 N N 0.527 119.339 118.700 0.187 0.000 2.143 385 N HA 0.438 5.193 4.740 0.026 0.000 0.222 385 N C -0.879 174.673 175.510 0.069 0.000 1.264 385 N CA -0.021 53.067 53.050 0.063 0.000 0.897 385 N CB 0.782 39.352 38.487 0.138 0.000 1.092 385 N HN 0.480 nan 8.380 nan 0.000 0.516 386 A N -0.490 122.452 122.820 0.203 0.000 2.594 386 A HA 0.750 5.085 4.320 0.026 0.000 0.295 386 A C -1.787 176.026 177.584 0.382 0.000 1.071 386 A CA -0.701 51.523 52.037 0.313 0.000 0.685 386 A CB 1.812 21.032 19.000 0.366 0.000 1.285 386 A HN 0.245 nan 8.150 nan 0.000 0.405 387 V N 1.293 121.483 119.914 0.460 0.000 2.888 387 V HA 0.809 4.944 4.120 0.026 0.000 0.309 387 V C -0.647 175.583 176.094 0.227 0.000 1.114 387 V CA -0.695 61.819 62.300 0.358 0.000 0.940 387 V CB 1.889 33.851 31.823 0.231 0.000 1.021 387 V HN 1.154 nan 8.190 nan 0.000 0.426 388 R N 5.005 125.487 120.500 -0.030 0.000 2.338 388 R HA 0.501 4.857 4.340 0.026 0.000 0.317 388 R C -0.821 175.336 176.300 -0.239 0.000 0.968 388 R CA -0.435 55.442 56.100 -0.372 0.000 0.849 388 R CB 1.137 30.967 30.300 -0.783 0.000 1.128 388 R HN 0.796 nan 8.270 nan 0.000 0.448 389 C N 4.602 123.794 119.300 -0.180 0.000 2.896 389 C HA 0.134 4.610 4.460 0.026 0.000 0.499 389 C C 0.469 175.192 174.990 -0.445 0.000 1.022 389 C CA -0.419 58.447 59.018 -0.254 0.000 1.127 389 C CB -1.960 25.743 27.740 -0.062 0.000 1.452 389 C HN 0.738 nan 8.230 nan 0.000 0.580 390 S N 1.804 117.122 115.700 -0.637 0.000 2.481 390 S HA 0.219 4.705 4.470 0.026 0.000 0.276 390 S C -0.196 173.532 174.600 -1.454 0.000 1.247 390 S CA 0.049 57.628 58.200 -1.036 0.000 1.053 390 S CB 0.192 62.739 63.200 -1.087 0.000 0.925 390 S HN 0.731 nan 8.310 nan 0.000 0.491 391 H N 3.801 122.282 119.070 -0.981 0.000 2.439 391 H HA 0.335 4.907 4.556 0.025 0.000 0.228 391 H C -1.217 173.984 175.328 -0.211 0.000 1.423 391 H CA -0.334 55.507 56.048 -0.346 0.000 1.386 391 H CB -0.103 29.660 29.762 0.001 0.000 1.641 391 H HN 0.886 nan 8.280 nan 0.000 0.508 392 Y N -2.529 117.877 120.300 0.177 0.000 2.765 392 Y HA 0.378 4.944 4.550 0.026 0.000 0.350 392 Y C -3.314 172.699 175.900 0.188 0.000 1.196 392 Y CA -3.009 55.205 58.100 0.191 0.000 1.119 392 Y CB 0.009 38.588 38.460 0.198 0.000 1.368 392 Y HN -0.046 nan 8.280 nan 0.000 0.463 393 P HA 0.181 nan 4.420 nan 0.000 0.268 393 P C -0.628 176.964 177.300 0.487 0.000 1.205 393 P CA 0.077 63.429 63.100 0.420 0.000 0.771 393 P CB 0.610 32.489 31.700 0.299 0.000 0.858 394 N N 0.315 119.328 118.700 0.522 0.000 2.491 394 N HA 0.107 4.862 4.740 0.026 0.000 0.279 394 N C 0.031 175.807 175.510 0.444 0.000 1.236 394 N CA -0.608 52.675 53.050 0.388 0.000 0.982 394 N CB 0.358 38.890 38.487 0.075 0.000 1.194 394 N HN 0.596 nan 8.380 nan 0.000 0.582 395 H N 2.173 121.371 119.070 0.213 0.000 3.001 395 H HA -0.002 4.569 4.556 0.025 0.000 0.334 395 H C -1.615 173.896 175.328 0.307 0.000 1.034 395 H CA -0.690 55.464 56.048 0.177 0.000 1.420 395 H CB 1.008 30.840 29.762 0.116 0.000 1.405 395 H HN 0.423 nan 8.280 nan 0.000 0.593 396 P HA -0.194 nan 4.420 nan 0.000 0.218 396 P C 1.748 179.370 177.300 0.536 0.000 1.148 396 P CA 0.674 64.023 63.100 0.415 0.000 0.822 396 P CB 0.246 32.039 31.700 0.155 0.000 0.784 397 L N -1.184 120.431 121.223 0.653 0.000 2.275 397 L HA -0.005 4.351 4.340 0.026 0.000 0.215 397 L C 2.360 179.409 176.870 0.298 0.000 1.119 397 L CA 1.196 56.279 54.840 0.406 0.000 0.790 397 L CB -1.334 40.913 42.059 0.314 0.000 0.919 397 L HN 0.004 nan 8.230 nan 0.000 0.443 398 W N -0.517 120.837 121.300 0.089 0.000 2.338 398 W HA -0.327 4.348 4.660 0.025 0.000 0.304 398 W C 2.006 178.393 176.519 -0.220 0.000 1.212 398 W CA 1.849 59.106 57.345 -0.145 0.000 1.264 398 W CB -0.326 28.944 29.460 -0.316 0.000 1.142 398 W HN 0.263 nan 8.180 nan 0.000 0.512 399 Y N 0.618 120.856 120.300 -0.103 0.000 2.242 399 Y HA -0.209 4.356 4.550 0.025 0.000 0.291 399 Y C 2.876 178.564 175.900 -0.354 0.000 1.137 399 Y CA 2.125 59.953 58.100 -0.455 0.000 1.181 399 Y CB -1.306 36.531 38.460 -1.038 0.000 0.989 399 Y HN -0.228 nan 8.280 nan 0.000 0.527 400 T N 0.625 115.207 114.554 0.047 0.000 2.746 400 T HA -0.149 4.217 4.350 0.026 0.000 0.267 400 T C 1.989 176.730 174.700 0.068 0.000 1.039 400 T CA 1.347 63.544 62.100 0.162 0.000 1.142 400 T CB -0.506 68.505 68.868 0.239 0.000 0.866 400 T HN 0.226 nan 8.240 nan 0.000 0.444 401 L N 0.240 121.461 121.223 -0.003 0.000 2.056 401 L HA -0.093 4.263 4.340 0.026 0.000 0.207 401 L C 2.884 179.734 176.870 -0.033 0.000 1.078 401 L CA 0.912 55.773 54.840 0.036 0.000 0.749 401 L CB -0.700 41.334 42.059 -0.041 0.000 0.901 401 L HN 0.375 nan 8.230 nan 0.000 0.433 402 C N -0.167 118.942 119.300 -0.318 0.000 2.425 402 C HA -0.148 4.327 4.460 0.026 0.000 0.277 402 C C 2.427 177.463 174.990 0.075 0.000 1.280 402 C CA 0.451 59.324 59.018 -0.242 0.000 1.744 402 C CB -0.785 26.706 27.740 -0.415 0.000 1.989 402 C HN 0.539 nan 8.230 nan 0.000 0.491 403 D N 0.443 120.896 120.400 0.087 0.000 2.104 403 D HA -0.107 4.548 4.640 0.026 0.000 0.194 403 D C 2.413 178.926 176.300 0.355 0.000 0.994 403 D CA 1.253 55.382 54.000 0.214 0.000 0.830 403 D CB -0.347 40.540 40.800 0.144 0.000 0.959 403 D HN 0.523 nan 8.370 nan 0.000 0.452 404 R N -1.066 119.531 120.500 0.162 0.000 2.100 404 R HA 0.010 4.366 4.340 0.026 0.000 0.220 404 R C 2.139 178.410 176.300 -0.049 0.000 1.091 404 R CA 0.533 56.660 56.100 0.045 0.000 0.986 404 R CB -0.145 30.105 30.300 -0.085 0.000 0.888 404 R HN 0.301 nan 8.270 nan 0.000 0.444 405 Y N -0.030 120.288 120.300 0.030 0.000 2.420 405 Y HA 0.150 4.715 4.550 0.025 0.000 0.292 405 Y C 1.015 176.852 175.900 -0.106 0.000 1.119 405 Y CA 0.702 58.790 58.100 -0.020 0.000 1.229 405 Y CB 0.662 39.081 38.460 -0.067 0.000 1.026 405 Y HN 0.226 nan 8.280 nan 0.000 0.554 406 G N 1.257 110.096 108.800 0.065 0.000 2.830 406 G HA2 -0.154 3.822 3.960 0.026 0.000 0.298 406 G HA3 -0.154 3.822 3.960 0.026 0.000 0.298 406 G C -1.182 173.567 174.900 -0.251 0.000 1.031 406 G CA -0.541 44.466 45.100 -0.156 0.000 1.179 406 G HN 0.169 nan 8.290 nan 0.000 0.527 407 L N 1.037 122.190 121.223 -0.116 0.000 2.455 407 L HA 0.497 4.853 4.340 0.026 0.000 0.264 407 L C 0.009 176.886 176.870 0.012 0.000 0.968 407 L CA -1.309 53.418 54.840 -0.189 0.000 0.827 407 L CB 2.002 43.977 42.059 -0.139 0.000 1.317 407 L HN 0.463 nan 8.230 nan 0.000 0.407 408 Y N 1.674 122.113 120.300 0.232 0.000 2.359 408 Y HA 0.394 4.961 4.550 0.029 0.000 0.330 408 Y C 0.206 176.236 175.900 0.217 0.000 1.143 408 Y CA -0.658 57.611 58.100 0.281 0.000 1.318 408 Y CB 1.321 39.923 38.460 0.237 0.000 1.234 408 Y HN 0.160 nan 8.280 nan 0.000 0.522 409 V N 4.046 124.146 119.914 0.311 0.000 2.735 409 V HA 0.318 4.453 4.120 0.026 0.000 0.310 409 V C -0.657 175.514 176.094 0.128 0.000 1.061 409 V CA -1.024 61.396 62.300 0.200 0.000 0.913 409 V CB 2.073 33.972 31.823 0.126 0.000 1.005 409 V HN 0.444 nan 8.190 nan 0.000 0.428 410 V N 3.101 123.052 119.914 0.062 0.000 2.333 410 V HA 0.333 4.469 4.120 0.026 0.000 0.274 410 V C -0.387 175.735 176.094 0.047 0.000 1.028 410 V CA -0.321 61.968 62.300 -0.019 0.000 0.851 410 V CB 1.418 33.105 31.823 -0.226 0.000 1.000 410 V HN 0.883 nan 8.190 nan 0.000 0.456 411 D N 4.260 124.736 120.400 0.126 0.000 2.232 411 D HA 0.335 4.990 4.640 0.026 0.000 0.242 411 D C -0.270 176.226 176.300 0.327 0.000 1.093 411 D CA -0.127 54.047 54.000 0.290 0.000 0.845 411 D CB 1.352 42.373 40.800 0.368 0.000 1.124 411 D HN 0.678 nan 8.370 nan 0.000 0.467 412 E N 2.020 122.374 120.200 0.258 0.000 2.210 412 E HA 0.622 4.987 4.350 0.026 0.000 0.266 412 E C -1.019 175.720 176.600 0.232 0.000 0.883 412 E CA -1.051 55.485 56.400 0.227 0.000 0.761 412 E CB 1.345 31.131 29.700 0.144 0.000 1.156 412 E HN 0.459 nan 8.360 nan 0.000 0.412 413 A N 3.924 126.872 122.820 0.214 0.000 2.483 413 A HA 0.048 4.383 4.320 0.026 0.000 0.238 413 A C 0.316 178.026 177.584 0.211 0.000 1.070 413 A CA -0.185 51.958 52.037 0.177 0.000 0.770 413 A CB 0.119 19.186 19.000 0.112 0.000 1.008 413 A HN 0.699 nan 8.150 nan 0.000 0.497 414 N N 1.366 120.200 118.700 0.224 0.000 3.050 414 N HA 0.270 5.026 4.740 0.026 0.000 0.289 414 N C -1.053 174.588 175.510 0.218 0.000 1.209 414 N CA 0.218 53.434 53.050 0.277 0.000 1.154 414 N CB -0.814 37.833 38.487 0.266 0.000 1.444 414 N HN 0.478 nan 8.380 nan 0.000 0.529 415 I N 1.091 121.785 120.570 0.206 0.000 2.497 415 I HA 0.259 4.444 4.170 0.026 0.000 0.284 415 I C -0.637 175.582 176.117 0.171 0.000 1.060 415 I CA -0.579 60.823 61.300 0.171 0.000 1.071 415 I CB 1.747 39.823 38.000 0.126 0.000 1.216 415 I HN 0.255 nan 8.210 nan 0.000 0.442 416 E N 4.417 124.713 120.200 0.160 0.000 2.294 416 E HA 0.370 4.736 4.350 0.026 0.000 0.272 416 E C -0.682 175.981 176.600 0.104 0.000 0.896 416 E CA -0.473 55.992 56.400 0.108 0.000 0.802 416 E CB 1.580 31.325 29.700 0.076 0.000 1.267 416 E HN 0.584 nan 8.360 nan 0.000 0.406 417 T N 0.668 115.274 114.554 0.086 0.000 3.448 417 T HA 0.163 4.528 4.350 0.026 0.000 0.271 417 T C 0.846 175.583 174.700 0.061 0.000 1.002 417 T CA -0.372 61.805 62.100 0.129 0.000 0.995 417 T CB -0.268 68.667 68.868 0.112 0.000 1.153 417 T HN 0.659 nan 8.240 nan 0.000 0.510 418 H N 1.159 120.130 119.070 -0.165 0.000 2.390 418 H HA -0.043 4.529 4.556 0.027 0.000 0.298 418 H C 2.288 177.478 175.328 -0.230 0.000 1.106 418 H CA 1.250 57.177 56.048 -0.201 0.000 1.297 418 H CB -0.149 29.457 29.762 -0.260 0.000 1.375 418 H HN 0.588 nan 8.280 nan 0.000 0.509 419 G N 0.136 108.762 108.800 -0.291 0.000 2.744 419 G HA2 -0.040 3.936 3.960 0.026 0.000 0.211 419 G HA3 -0.040 3.936 3.960 0.026 0.000 0.211 419 G C 0.478 175.467 174.900 0.149 0.000 1.143 419 G CA -0.178 44.777 45.100 -0.242 0.000 0.788 419 G HN 0.143 nan 8.290 nan 0.000 0.534 420 M N 0.406 120.149 119.600 0.238 0.000 2.226 420 M HA 0.295 4.790 4.480 0.026 0.000 0.324 420 M C -0.290 176.044 176.300 0.057 0.000 1.112 420 M CA -0.295 55.106 55.300 0.168 0.000 1.176 420 M CB 1.368 34.021 32.600 0.088 0.000 1.430 420 M HN -0.213 nan 8.290 nan 0.000 0.462 421 V N 4.082 124.008 119.914 0.021 0.000 2.443 421 V HA 0.375 4.510 4.120 0.026 0.000 0.293 421 V C -1.894 174.191 176.094 -0.014 0.000 1.021 421 V CA -1.356 60.942 62.300 -0.004 0.000 0.848 421 V CB 1.748 33.563 31.823 -0.013 0.000 0.998 421 V HN 0.741 nan 8.190 nan 0.000 0.424 422 P HA 0.200 nan 4.420 nan 0.000 0.274 422 P C 0.951 178.252 177.300 0.001 0.000 1.260 422 P CA -0.438 62.656 63.100 -0.010 0.000 0.793 422 P CB 0.980 32.676 31.700 -0.007 0.000 1.048 423 M N 0.653 120.259 119.600 0.009 0.000 2.279 423 M HA -0.164 4.332 4.480 0.026 0.000 0.264 423 M C 1.155 177.475 176.300 0.032 0.000 1.062 423 M CA 1.706 57.021 55.300 0.026 0.000 1.099 423 M CB -0.457 32.150 32.600 0.012 0.000 1.394 423 M HN 0.368 nan 8.290 nan 0.000 0.426 424 N N -0.141 118.579 118.700 0.032 0.000 2.313 424 N HA -0.068 4.687 4.740 0.026 0.000 0.207 424 N C 1.092 176.583 175.510 -0.032 0.000 1.141 424 N CA 0.143 53.214 53.050 0.034 0.000 0.830 424 N CB -0.719 37.806 38.487 0.063 0.000 1.008 424 N HN 0.353 nan 8.380 nan 0.000 0.481 425 R N 0.310 120.777 120.500 -0.054 0.000 2.105 425 R HA 0.023 4.379 4.340 0.026 0.000 0.239 425 R C 1.384 177.583 176.300 -0.168 0.000 1.135 425 R CA 1.242 57.285 56.100 -0.093 0.000 0.967 425 R CB -0.016 30.225 30.300 -0.099 0.000 0.861 425 R HN 0.294 nan 8.270 nan 0.000 0.442 426 L N -0.714 120.348 121.223 -0.268 0.000 2.202 426 L HA 0.001 4.356 4.340 0.026 0.000 0.205 426 L C 2.394 179.120 176.870 -0.240 0.000 1.083 426 L CA 1.263 55.824 54.840 -0.465 0.000 0.790 426 L CB -0.396 41.152 42.059 -0.852 0.000 0.942 426 L HN 0.333 nan 8.230 nan 0.000 0.452 427 T N -4.501 109.947 114.554 -0.178 0.000 3.072 427 T HA -0.138 4.228 4.350 0.026 0.000 0.266 427 T C 1.260 175.862 174.700 -0.165 0.000 1.127 427 T CA 0.993 62.968 62.100 -0.208 0.000 1.107 427 T CB -0.179 68.510 68.868 -0.300 0.000 0.910 427 T HN 0.082 nan 8.240 nan 0.000 0.513 428 D N 1.188 121.529 120.400 -0.098 0.000 2.349 428 D HA 0.102 4.757 4.640 0.026 0.000 0.214 428 D C -0.259 176.017 176.300 -0.040 0.000 1.063 428 D CA -0.201 53.754 54.000 -0.076 0.000 0.847 428 D CB -0.101 40.664 40.800 -0.059 0.000 0.933 428 D HN 0.316 nan 8.370 nan 0.000 0.513 429 D N -0.019 120.373 120.400 -0.013 0.000 2.317 429 D HA 0.120 4.775 4.640 0.026 0.000 0.234 429 D C -1.670 174.680 176.300 0.083 0.000 1.112 429 D CA -2.186 51.845 54.000 0.052 0.000 0.840 429 D CB 1.988 42.861 40.800 0.121 0.000 1.078 429 D HN -0.021 nan 8.370 nan 0.000 0.486 430 P HA -0.096 nan 4.420 nan 0.000 0.225 430 P C 0.938 178.243 177.300 0.007 0.000 1.148 430 P CA 0.599 63.708 63.100 0.015 0.000 0.779 430 P CB 0.330 32.027 31.700 -0.005 0.000 0.780 431 R N -1.719 118.793 120.500 0.020 0.000 2.235 431 R HA -0.054 4.301 4.340 0.026 0.000 0.213 431 R C 1.437 177.612 176.300 -0.208 0.000 1.059 431 R CA 0.966 57.009 56.100 -0.095 0.000 0.997 431 R CB -0.541 29.695 30.300 -0.107 0.000 0.884 431 R HN 0.342 nan 8.270 nan 0.000 0.462 432 W N 0.083 121.328 121.300 -0.092 0.000 3.278 432 W HA 0.114 4.789 4.660 0.025 0.000 0.308 432 W C 1.574 178.034 176.519 -0.099 0.000 1.253 432 W CA -0.489 56.801 57.345 -0.092 0.000 1.759 432 W CB 0.074 29.477 29.460 -0.094 0.000 1.093 432 W HN -0.008 nan 8.180 nan 0.000 0.648 433 L N 2.205 123.456 121.223 0.047 0.000 2.046 433 L HA -0.044 4.312 4.340 0.026 0.000 0.208 433 L C -0.726 176.110 176.870 -0.058 0.000 1.077 433 L CA 2.241 57.070 54.840 -0.019 0.000 0.747 433 L CB -1.698 40.339 42.059 -0.037 0.000 0.896 433 L HN -0.231 nan 8.230 nan 0.000 0.432 434 P HA -0.152 nan 4.420 nan 0.000 0.214 434 P C 1.648 178.894 177.300 -0.090 0.000 1.163 434 P CA 2.251 65.289 63.100 -0.104 0.000 0.883 434 P CB -0.258 31.372 31.700 -0.118 0.000 0.788 435 A N -1.015 121.763 122.820 -0.071 0.000 1.902 435 A HA -0.201 4.135 4.320 0.026 0.000 0.217 435 A C 2.260 179.856 177.584 0.019 0.000 1.181 435 A CA 2.045 54.074 52.037 -0.015 0.000 0.623 435 A CB -1.518 17.503 19.000 0.035 0.000 0.818 435 A HN 0.109 nan 8.150 nan 0.000 0.443 436 M N 0.160 119.782 119.600 0.036 0.000 2.175 436 M HA -0.144 4.351 4.480 0.026 0.000 0.264 436 M C 2.547 178.794 176.300 -0.088 0.000 1.063 436 M CA 1.668 56.967 55.300 -0.003 0.000 1.119 436 M CB -0.359 32.217 32.600 -0.040 0.000 1.377 436 M HN 0.673 nan 8.290 nan 0.000 0.415 437 S N 0.465 116.084 115.700 -0.134 0.000 2.374 437 S HA -0.212 4.273 4.470 0.026 0.000 0.227 437 S C 1.616 176.047 174.600 -0.281 0.000 1.037 437 S CA 1.659 59.713 58.200 -0.244 0.000 1.024 437 S CB -0.582 62.452 63.200 -0.277 0.000 0.861 437 S HN 0.543 nan 8.310 nan 0.000 0.456 438 E N 0.742 120.829 120.200 -0.188 0.000 2.204 438 E HA -0.029 4.337 4.350 0.026 0.000 0.194 438 E C 2.428 178.942 176.600 -0.143 0.000 0.989 438 E CA 0.650 56.943 56.400 -0.178 0.000 0.824 438 E CB -0.079 29.555 29.700 -0.111 0.000 0.756 438 E HN 0.578 nan 8.360 nan 0.000 0.477 439 R N 0.001 120.446 120.500 -0.090 0.000 2.115 439 R HA -0.067 4.288 4.340 0.026 0.000 0.230 439 R C 2.246 178.507 176.300 -0.066 0.000 1.111 439 R CA 0.751 56.830 56.100 -0.035 0.000 0.976 439 R CB 0.031 30.349 30.300 0.031 0.000 0.870 439 R HN 0.022 nan 8.270 nan 0.000 0.445 440 V N 0.272 120.101 119.914 -0.141 0.000 2.379 440 V HA -0.180 3.955 4.120 0.026 0.000 0.243 440 V C 2.498 178.409 176.094 -0.304 0.000 1.035 440 V CA 2.141 64.334 62.300 -0.178 0.000 1.035 440 V CB -0.305 31.402 31.823 -0.194 0.000 0.673 440 V HN 0.524 nan 8.190 nan 0.000 0.457 441 T N -0.763 113.483 114.554 -0.513 0.000 2.746 441 T HA -0.231 4.135 4.350 0.026 0.000 0.267 441 T C 1.937 176.481 174.700 -0.260 0.000 1.039 441 T CA 1.344 63.061 62.100 -0.638 0.000 1.142 441 T CB -0.413 67.885 68.868 -0.949 0.000 0.866 441 T HN 0.403 nan 8.240 nan 0.000 0.444 442 R N 0.315 120.688 120.500 -0.212 0.000 2.148 442 R HA 0.177 4.532 4.340 0.026 0.000 0.227 442 R C 2.623 178.850 176.300 -0.123 0.000 1.103 442 R CA 1.424 57.436 56.100 -0.146 0.000 0.983 442 R CB -0.463 29.759 30.300 -0.130 0.000 0.874 442 R HN 0.510 nan 8.270 nan 0.000 0.451 443 M N 0.434 119.968 119.600 -0.110 0.000 2.123 443 M HA -0.108 4.388 4.480 0.026 0.000 0.263 443 M C 1.828 178.063 176.300 -0.109 0.000 1.069 443 M CA 1.553 56.818 55.300 -0.057 0.000 1.133 443 M CB 0.150 32.757 32.600 0.013 0.000 1.356 443 M HN -0.039 nan 8.290 nan 0.000 0.415 444 V N 1.201 120.942 119.914 -0.289 0.000 2.343 444 V HA -0.276 3.859 4.120 0.026 0.000 0.247 444 V C 2.282 178.276 176.094 -0.167 0.000 1.051 444 V CA 2.007 64.001 62.300 -0.510 0.000 1.036 444 V CB -0.909 30.588 31.823 -0.543 0.000 0.654 444 V HN 0.593 nan 8.190 nan 0.000 0.451 445 Q N -0.536 119.200 119.800 -0.106 0.000 2.170 445 Q HA -0.238 4.117 4.340 0.026 0.000 0.203 445 Q C 2.449 178.371 176.000 -0.129 0.000 0.976 445 Q CA 1.688 57.436 55.803 -0.092 0.000 0.858 445 Q CB -0.217 28.486 28.738 -0.058 0.000 0.907 445 Q HN 0.534 nan 8.270 nan 0.000 0.433 446 R N 0.298 120.714 120.500 -0.140 0.000 2.100 446 R HA -0.090 4.265 4.340 0.026 0.000 0.220 446 R C 0.473 176.705 176.300 -0.113 0.000 1.091 446 R CA 1.266 57.259 56.100 -0.179 0.000 0.986 446 R CB 0.426 30.620 30.300 -0.176 0.000 0.888 446 R HN 0.135 nan 8.270 nan 0.000 0.444 447 D N -0.363 120.038 120.400 0.002 0.000 2.398 447 D HA 0.006 4.661 4.640 0.026 0.000 0.210 447 D C 1.192 177.611 176.300 0.199 0.000 1.094 447 D CA 0.084 54.135 54.000 0.084 0.000 0.839 447 D CB 0.314 41.119 40.800 0.007 0.000 0.963 447 D HN 0.348 nan 8.370 nan 0.000 0.506 448 R N 0.486 121.117 120.500 0.219 0.000 2.293 448 R HA 0.023 4.378 4.340 0.026 0.000 0.219 448 R C 0.652 176.961 176.300 0.015 0.000 1.091 448 R CA 0.819 57.058 56.100 0.231 0.000 1.004 448 R CB -0.264 30.111 30.300 0.125 0.000 0.865 448 R HN -0.086 nan 8.270 nan 0.000 0.469 449 N N 0.375 119.013 118.700 -0.104 0.000 2.336 449 N HA 0.009 4.765 4.740 0.026 0.000 0.189 449 N C -0.573 174.811 175.510 -0.209 0.000 1.113 449 N CA 0.210 53.168 53.050 -0.154 0.000 0.858 449 N CB 0.138 38.508 38.487 -0.195 0.000 0.970 449 N HN 0.291 nan 8.380 nan 0.000 0.471 450 H N 1.286 120.297 119.070 -0.098 0.000 2.668 450 H HA 0.116 4.687 4.556 0.025 0.000 0.303 450 H C -1.205 173.972 175.328 -0.250 0.000 1.074 450 H CA -1.293 54.678 56.048 -0.128 0.000 1.406 450 H CB 1.660 31.382 29.762 -0.065 0.000 1.442 450 H HN 0.046 nan 8.280 nan 0.000 0.482 451 P HA -0.157 nan 4.420 nan 0.000 0.218 451 P C 1.422 178.262 177.300 -0.768 0.000 1.149 451 P CA 1.114 63.863 63.100 -0.585 0.000 0.817 451 P CB 0.299 31.423 31.700 -0.960 0.000 0.785 452 S N -0.658 114.690 115.700 -0.588 0.000 2.399 452 S HA -0.049 4.437 4.470 0.026 0.000 0.231 452 S C 1.141 175.701 174.600 -0.067 0.000 1.022 452 S CA 0.403 58.421 58.200 -0.303 0.000 0.983 452 S CB -1.559 61.629 63.200 -0.020 0.000 0.803 452 S HN -0.053 nan 8.310 nan 0.000 0.480 453 V N 3.667 123.522 119.914 -0.098 0.000 2.479 453 V HA 0.203 4.339 4.120 0.026 0.000 0.281 453 V C 1.155 177.113 176.094 -0.226 0.000 1.031 453 V CA 0.106 62.315 62.300 -0.152 0.000 1.038 453 V CB 0.383 32.021 31.823 -0.307 0.000 0.981 453 V HN 0.634 nan 8.190 nan 0.000 0.478 454 I N 2.647 123.142 120.570 -0.125 0.000 4.187 454 I HA 0.506 4.692 4.170 0.026 0.000 0.326 454 I C 0.394 176.397 176.117 -0.190 0.000 1.302 454 I CA 0.521 61.752 61.300 -0.115 0.000 1.196 454 I CB 0.481 38.497 38.000 0.028 0.000 1.095 454 I HN 0.325 nan 8.210 nan 0.000 0.411 455 I N 0.198 120.636 120.570 -0.220 0.000 2.722 455 I HA 0.347 4.533 4.170 0.026 0.000 0.295 455 I C -1.570 174.457 176.117 -0.150 0.000 1.161 455 I CA -0.424 60.789 61.300 -0.145 0.000 1.032 455 I CB 2.175 40.181 38.000 0.010 0.000 1.244 455 I HN 0.030 nan 8.210 nan 0.000 0.421 456 W N 4.003 125.352 121.300 0.081 0.000 2.438 456 W HA 0.609 5.282 4.660 0.022 0.000 0.324 456 W C 0.413 176.997 176.519 0.108 0.000 1.119 456 W CA -0.645 56.755 57.345 0.091 0.000 1.221 456 W CB 1.655 31.165 29.460 0.082 0.000 1.253 456 W HN 0.310 nan 8.180 nan 0.000 0.555 457 S N 2.750 118.680 115.700 0.383 0.000 2.503 457 S HA 0.407 4.893 4.470 0.026 0.000 0.301 457 S C 0.276 175.042 174.600 0.277 0.000 1.087 457 S CA -0.728 57.648 58.200 0.293 0.000 1.042 457 S CB 0.882 64.210 63.200 0.214 0.000 1.043 457 S HN 0.586 nan 8.310 nan 0.000 0.489 458 L N 3.934 125.314 121.223 0.261 0.000 2.610 458 L HA 0.327 4.683 4.340 0.026 0.000 0.232 458 L C 1.390 178.325 176.870 0.108 0.000 1.149 458 L CA 0.513 55.427 54.840 0.124 0.000 0.872 458 L CB -1.193 40.833 42.059 -0.056 0.000 0.992 458 L HN 1.007 nan 8.230 nan 0.000 0.447 459 G N 0.001 108.950 108.800 0.249 0.000 2.280 459 G HA2 -0.134 3.842 3.960 0.026 0.000 0.277 459 G HA3 -0.134 3.842 3.960 0.026 0.000 0.277 459 G C -1.598 173.500 174.900 0.330 0.000 1.288 459 G CA -0.547 44.705 45.100 0.254 0.000 1.075 459 G HN 0.176 nan 8.290 nan 0.000 0.480 460 N N 0.082 118.919 118.700 0.228 0.000 2.405 460 N HA 0.469 5.225 4.740 0.026 0.000 0.274 460 N C -0.470 175.004 175.510 -0.060 0.000 1.170 460 N CA 0.133 53.181 53.050 -0.005 0.000 0.848 460 N CB 1.613 39.821 38.487 -0.466 0.000 1.629 460 N HN 0.894 nan 8.380 nan 0.000 0.481 461 E N 0.520 120.591 120.200 -0.215 0.000 2.160 461 E HA -0.178 4.188 4.350 0.026 0.000 0.180 461 E C -0.813 175.703 176.600 -0.140 0.000 1.452 461 E CA 0.791 56.978 56.400 -0.355 0.000 0.683 461 E CB -1.266 27.979 29.700 -0.758 0.000 1.072 461 E HN 0.426 nan 8.360 nan 0.000 0.332 462 S N 0.004 115.765 115.700 0.103 0.000 2.941 462 S HA 0.399 4.884 4.470 0.026 0.000 0.251 462 S C 0.643 175.407 174.600 0.273 0.000 1.029 462 S CA -0.150 58.167 58.200 0.194 0.000 1.062 462 S CB 1.395 64.768 63.200 0.289 0.000 0.977 462 S HN 0.843 nan 8.310 nan 0.000 0.552 463 G N 2.001 110.896 108.800 0.158 0.000 2.601 463 G HA2 -0.268 3.708 3.960 0.026 0.000 0.261 463 G HA3 -0.268 3.708 3.960 0.026 0.000 0.261 463 G C -0.504 174.595 174.900 0.332 0.000 1.289 463 G CA -0.109 45.089 45.100 0.162 0.000 0.920 463 G HN 0.636 nan 8.290 nan 0.000 0.571 464 H N 0.519 119.709 119.070 0.200 0.000 2.800 464 H HA 0.572 5.144 4.556 0.027 0.000 0.322 464 H C 0.300 175.798 175.328 0.283 0.000 0.979 464 H CA -0.064 56.146 56.048 0.271 0.000 1.277 464 H CB 0.681 30.534 29.762 0.152 0.000 1.484 464 H HN 1.056 nan 8.280 nan 0.000 0.512 465 G N 1.505 110.398 108.800 0.156 0.000 2.630 465 G HA2 0.451 4.426 3.960 0.026 0.000 0.296 465 G HA3 0.451 4.426 3.960 0.026 0.000 0.296 465 G C 0.533 175.304 174.900 -0.215 0.000 1.285 465 G CA -0.153 44.865 45.100 -0.137 0.000 0.958 465 G HN 0.665 nan 8.290 nan 0.000 0.479 466 A N 0.330 123.049 122.820 -0.168 0.000 2.019 466 A HA -0.076 4.259 4.320 0.026 0.000 0.219 466 A C 2.101 179.649 177.584 -0.060 0.000 1.164 466 A CA 1.759 53.739 52.037 -0.095 0.000 0.644 466 A CB -0.403 18.565 19.000 -0.055 0.000 0.805 466 A HN 0.531 nan 8.150 nan 0.000 0.449 467 N N -0.140 118.486 118.700 -0.124 0.000 2.223 467 N HA -0.151 4.605 4.740 0.026 0.000 0.185 467 N C 1.358 176.795 175.510 -0.121 0.000 1.016 467 N CA 1.703 54.670 53.050 -0.137 0.000 0.863 467 N CB -0.663 37.702 38.487 -0.203 0.000 0.983 467 N HN 0.789 nan 8.380 nan 0.000 0.429 468 H N 0.418 119.465 119.070 -0.039 0.000 2.321 468 H HA -0.033 4.538 4.556 0.025 0.000 0.300 468 H C 1.291 176.683 175.328 0.106 0.000 1.087 468 H CA 1.323 57.358 56.048 -0.020 0.000 1.319 468 H CB 0.122 29.877 29.762 -0.012 0.000 1.379 468 H HN 0.185 nan 8.280 nan 0.000 0.501 469 D N 0.447 121.001 120.400 0.257 0.000 2.123 469 D HA -0.148 4.508 4.640 0.026 0.000 0.196 469 D C 2.305 178.751 176.300 0.242 0.000 0.992 469 D CA 1.198 55.345 54.000 0.245 0.000 0.833 469 D CB -0.424 40.485 40.800 0.181 0.000 0.954 469 D HN 0.435 nan 8.370 nan 0.000 0.455 470 A N 0.812 123.724 122.820 0.153 0.000 1.902 470 A HA -0.128 4.207 4.320 0.026 0.000 0.217 470 A C 2.430 180.119 177.584 0.174 0.000 1.181 470 A CA 0.982 53.100 52.037 0.135 0.000 0.623 470 A CB -0.741 18.296 19.000 0.062 0.000 0.818 470 A HN 0.200 nan 8.150 nan 0.000 0.443 471 L N -2.229 119.082 121.223 0.147 0.000 2.109 471 L HA -0.133 4.223 4.340 0.026 0.000 0.207 471 L C 2.582 179.591 176.870 0.232 0.000 1.086 471 L CA 1.521 56.445 54.840 0.141 0.000 0.760 471 L CB -0.703 41.371 42.059 0.024 0.000 0.910 471 L HN 0.602 nan 8.230 nan 0.000 0.437 472 Y N 1.346 121.727 120.300 0.136 0.000 2.128 472 Y HA -0.336 4.226 4.550 0.020 0.000 0.284 472 Y C 2.807 178.791 175.900 0.141 0.000 1.154 472 Y CA 1.847 60.032 58.100 0.142 0.000 1.149 472 Y CB -0.173 38.372 38.460 0.142 0.000 0.976 472 Y HN -0.029 nan 8.280 nan 0.000 0.505 473 R N -0.209 120.422 120.500 0.219 0.000 2.092 473 R HA -0.194 4.161 4.340 0.026 0.000 0.231 473 R C 2.034 178.348 176.300 0.024 0.000 1.119 473 R CA 1.870 58.016 56.100 0.077 0.000 0.970 473 R CB -1.398 29.019 30.300 0.194 0.000 0.864 473 R HN 0.645 nan 8.270 nan 0.000 0.440 474 W N 0.514 121.775 121.300 -0.066 0.000 2.335 474 W HA -0.141 4.534 4.660 0.025 0.000 0.311 474 W C 1.579 178.007 176.519 -0.152 0.000 1.213 474 W CA 1.967 59.258 57.345 -0.091 0.000 1.274 474 W CB -0.238 29.171 29.460 -0.085 0.000 1.148 474 W HN 0.078 nan 8.180 nan 0.000 0.498 475 I N 0.825 121.430 120.570 0.059 0.000 2.179 475 I HA -0.355 3.831 4.170 0.026 0.000 0.242 475 I C 2.471 178.392 176.117 -0.327 0.000 1.088 475 I CA 1.390 62.552 61.300 -0.229 0.000 1.357 475 I CB -0.786 37.129 38.000 -0.142 0.000 1.051 475 I HN -0.123 nan 8.210 nan 0.000 0.409 476 K N 0.366 120.584 120.400 -0.304 0.000 2.160 476 K HA -0.190 4.146 4.320 0.026 0.000 0.206 476 K C 2.282 178.745 176.600 -0.229 0.000 1.047 476 K CA 1.545 57.670 56.287 -0.270 0.000 0.930 476 K CB -0.559 31.739 32.500 -0.337 0.000 0.720 476 K HN 0.257 nan 8.250 nan 0.000 0.450 477 S N 0.788 116.318 115.700 -0.284 0.000 2.362 477 S HA -0.083 4.402 4.470 0.026 0.000 0.221 477 S C 2.027 176.404 174.600 -0.371 0.000 1.032 477 S CA 1.182 59.212 58.200 -0.282 0.000 0.973 477 S CB -0.106 62.929 63.200 -0.275 0.000 0.849 477 S HN 0.184 nan 8.310 nan 0.000 0.465 478 V N -0.720 118.823 119.914 -0.619 0.000 2.719 478 V HA 0.236 4.371 4.120 0.026 0.000 0.252 478 V C 0.299 176.154 176.094 -0.397 0.000 1.065 478 V CA 1.435 63.361 62.300 -0.624 0.000 1.086 478 V CB -0.412 30.784 31.823 -1.045 0.000 0.700 478 V HN 0.449 nan 8.190 nan 0.000 0.467 479 D N 0.272 120.491 120.400 -0.302 0.000 2.330 479 D HA 0.400 5.055 4.640 0.026 0.000 0.249 479 D C -2.458 173.826 176.300 -0.026 0.000 1.306 479 D CA -1.742 52.193 54.000 -0.109 0.000 0.956 479 D CB 1.772 42.588 40.800 0.027 0.000 1.261 479 D HN 0.159 nan 8.370 nan 0.000 0.544 480 P HA 0.014 nan 4.420 nan 0.000 0.245 480 P C 1.108 178.426 177.300 0.030 0.000 1.212 480 P CA 0.350 63.442 63.100 -0.013 0.000 0.774 480 P CB 0.202 31.889 31.700 -0.022 0.000 0.999 481 S N -1.390 114.338 115.700 0.046 0.000 2.522 481 S HA 0.067 4.553 4.470 0.026 0.000 0.227 481 S C 0.873 175.500 174.600 0.045 0.000 0.986 481 S CA 0.042 58.272 58.200 0.051 0.000 0.929 481 S CB -0.345 62.880 63.200 0.041 0.000 0.769 481 S HN 0.042 nan 8.310 nan 0.000 0.529 482 R N 0.877 121.417 120.500 0.067 0.000 2.673 482 R HA 0.538 4.894 4.340 0.026 0.000 0.281 482 R C -3.238 173.110 176.300 0.080 0.000 0.991 482 R CA -2.240 53.862 56.100 0.003 0.000 0.896 482 R CB 1.592 31.780 30.300 -0.187 0.000 1.201 482 R HN 0.128 nan 8.270 nan 0.000 0.457 483 P HA 0.088 nan 4.420 nan 0.000 0.272 483 P C -0.888 176.517 177.300 0.174 0.000 1.230 483 P CA -0.374 62.788 63.100 0.104 0.000 0.788 483 P CB 0.681 32.428 31.700 0.078 0.000 0.949 484 V N 2.757 122.799 119.914 0.213 0.000 2.459 484 V HA 0.398 4.534 4.120 0.026 0.000 0.295 484 V C 0.252 176.530 176.094 0.307 0.000 1.029 484 V CA -0.271 62.202 62.300 0.288 0.000 0.874 484 V CB 1.056 33.005 31.823 0.210 0.000 0.985 484 V HN 0.608 nan 8.190 nan 0.000 0.438 485 Q N 3.907 123.870 119.800 0.271 0.000 2.458 485 Q HA 0.820 5.176 4.340 0.026 0.000 0.282 485 Q C -1.796 174.367 176.000 0.272 0.000 1.106 485 Q CA -0.954 54.976 55.803 0.212 0.000 0.814 485 Q CB 3.008 31.818 28.738 0.121 0.000 1.425 485 Q HN 0.631 nan 8.270 nan 0.000 0.437 486 Y N -0.007 120.307 120.300 0.023 0.000 2.409 486 Y HA 0.143 4.706 4.550 0.023 0.000 0.321 486 Y C -0.749 175.097 175.900 -0.090 0.000 1.209 486 Y CA -0.762 57.321 58.100 -0.028 0.000 1.086 486 Y CB 1.952 40.385 38.460 -0.045 0.000 1.320 486 Y HN 0.946 nan 8.280 nan 0.000 0.440 487 E N 3.350 123.048 120.200 -0.836 0.000 2.400 487 E HA 0.163 4.528 4.350 0.026 0.000 0.195 487 E C 0.631 176.788 176.600 -0.738 0.000 1.012 487 E CA 0.702 56.731 56.400 -0.617 0.000 0.875 487 E CB 0.306 29.779 29.700 -0.379 0.000 0.859 487 E HN 0.887 nan 8.360 nan 0.000 0.498 488 G N -0.149 107.788 108.800 -1.438 0.000 2.559 488 G HA2 0.252 4.227 3.960 0.026 0.000 0.235 488 G HA3 0.252 4.227 3.960 0.026 0.000 0.235 488 G C 0.802 175.555 174.900 -0.244 0.000 1.266 488 G CA 0.271 44.972 45.100 -0.665 0.000 0.847 488 G HN 0.334 nan 8.290 nan 0.000 0.583 489 G N -0.879 107.888 108.800 -0.054 0.000 2.160 489 G HA2 0.230 4.205 3.960 0.026 0.000 0.251 489 G HA3 0.230 4.205 3.960 0.026 0.000 0.251 489 G C 1.274 176.187 174.900 0.022 0.000 1.008 489 G CA 1.020 46.149 45.100 0.048 0.000 0.724 489 G HN 2.621 nan 8.290 nan 0.000 0.514 490 G N -1.517 107.288 108.800 0.009 0.000 2.192 490 G HA2 0.427 4.402 3.960 0.026 0.000 0.193 490 G HA3 0.427 4.402 3.960 0.026 0.000 0.193 490 G C 1.067 176.097 174.900 0.215 0.000 0.999 490 G CA 1.262 46.434 45.100 0.120 0.000 0.659 490 G HN 2.347 nan 8.290 nan 0.000 0.503 491 A N -0.241 122.580 122.820 0.001 0.000 3.413 491 A HA -0.124 4.211 4.320 0.026 0.000 0.268 491 A C 1.099 178.613 177.584 -0.116 0.000 1.128 491 A CA 2.634 54.608 52.037 -0.105 0.000 1.062 491 A CB -1.740 17.176 19.000 -0.139 0.000 1.121 491 A HN 2.136 nan 8.150 nan 0.000 0.895 492 D N -0.964 119.454 120.400 0.030 0.000 2.785 492 D HA 0.305 4.960 4.640 0.026 0.000 0.324 492 D C 0.365 176.663 176.300 -0.004 0.000 1.523 492 D CA 0.824 54.843 54.000 0.032 0.000 0.789 492 D CB -1.136 39.828 40.800 0.273 0.000 1.171 492 D HN 0.810 nan 8.370 nan 0.000 0.447 493 T N -2.374 112.109 114.554 -0.118 0.000 2.729 493 T HA 0.215 4.580 4.350 0.026 0.000 0.298 493 T C 1.549 176.116 174.700 -0.222 0.000 1.013 493 T CA 0.466 62.430 62.100 -0.227 0.000 0.957 493 T CB 0.659 69.162 68.868 -0.608 0.000 1.130 493 T HN 0.066 nan 8.240 nan 0.000 0.526 494 T N -2.528 111.884 114.554 -0.235 0.000 3.160 494 T HA 0.288 4.653 4.350 0.026 0.000 0.257 494 T C 1.389 175.836 174.700 -0.421 0.000 1.147 494 T CA 0.162 62.133 62.100 -0.216 0.000 1.064 494 T CB -0.476 68.343 68.868 -0.081 0.000 0.949 494 T HN 0.822 nan 8.240 nan 0.000 0.526 495 A N 0.469 123.058 122.820 -0.385 0.000 2.500 495 A HA 0.532 4.867 4.320 0.026 0.000 0.267 495 A C 0.740 178.175 177.584 -0.249 0.000 1.290 495 A CA -0.385 51.409 52.037 -0.406 0.000 0.928 495 A CB 0.154 19.179 19.000 0.042 0.000 1.066 495 A HN 0.406 nan 8.150 nan 0.000 0.516 496 T N -1.222 113.188 114.554 -0.240 0.000 2.971 496 T HA 0.351 4.717 4.350 0.026 0.000 0.304 496 T C -0.687 174.039 174.700 0.042 0.000 1.038 496 T CA -0.426 61.682 62.100 0.014 0.000 1.007 496 T CB 1.186 70.051 68.868 -0.005 0.000 1.055 496 T HN 0.091 nan 8.240 nan 0.000 0.451 497 D N 3.077 123.586 120.400 0.183 0.000 2.349 497 D HA 0.270 4.925 4.640 0.026 0.000 0.215 497 D C 0.334 176.668 176.300 0.056 0.000 1.016 497 D CA 0.659 54.746 54.000 0.145 0.000 0.870 497 D CB 0.436 41.349 40.800 0.189 0.000 0.917 497 D HN 0.537 nan 8.370 nan 0.000 0.524 498 I N 0.884 121.469 120.570 0.024 0.000 2.582 498 I HA 0.251 4.437 4.170 0.026 0.000 0.292 498 I C -0.203 175.848 176.117 -0.110 0.000 1.066 498 I CA -0.891 60.388 61.300 -0.036 0.000 1.053 498 I CB 2.875 40.866 38.000 -0.015 0.000 1.241 498 I HN -0.357 nan 8.210 nan 0.000 0.421 499 I N 5.720 126.175 120.570 -0.192 0.000 2.494 499 I HA 0.040 4.225 4.170 0.026 0.000 0.289 499 I C 0.255 176.156 176.117 -0.360 0.000 1.106 499 I CA 0.037 61.120 61.300 -0.362 0.000 1.369 499 I CB 0.152 37.820 38.000 -0.554 0.000 1.410 499 I HN 0.679 nan 8.210 nan 0.000 0.523 500 C N 5.761 124.868 119.300 -0.322 0.000 3.163 500 C HA 0.464 4.939 4.460 0.026 0.000 0.228 500 C C -2.077 172.776 174.990 -0.228 0.000 1.593 500 C CA -2.349 56.534 59.018 -0.224 0.000 1.489 500 C CB -1.030 26.639 27.740 -0.118 0.000 2.294 500 C HN 0.413 nan 8.230 nan 0.000 0.508 501 P HA 0.246 nan 4.420 nan 0.000 0.271 501 P C -0.413 176.831 177.300 -0.092 0.000 1.233 501 P CA 0.564 63.562 63.100 -0.171 0.000 0.789 501 P CB 0.680 32.310 31.700 -0.117 0.000 0.951 502 M N 0.038 119.606 119.600 -0.053 0.000 2.243 502 M HA 0.448 4.943 4.480 0.026 0.000 0.324 502 M C -0.678 175.545 176.300 -0.128 0.000 1.031 502 M CA -0.727 54.417 55.300 -0.260 0.000 0.949 502 M CB 1.434 33.879 32.600 -0.258 0.000 1.615 502 M HN 0.346 nan 8.290 nan 0.000 0.430 503 Y N -0.617 119.867 120.300 0.307 0.000 4.668 503 Y HA -0.223 4.343 4.550 0.027 0.000 0.234 503 Y C 0.595 176.684 175.900 0.316 0.000 1.056 503 Y CA 0.421 58.709 58.100 0.313 0.000 2.025 503 Y CB -2.228 36.400 38.460 0.279 0.000 1.613 503 Y HN 0.980 nan 8.280 nan 0.000 0.653 504 A N 1.254 124.290 122.820 0.361 0.000 2.462 504 A HA 0.558 4.893 4.320 0.026 0.000 0.243 504 A C 0.728 178.539 177.584 0.379 0.000 1.076 504 A CA -0.328 51.930 52.037 0.368 0.000 0.773 504 A CB 0.380 19.639 19.000 0.431 0.000 1.010 504 A HN 0.412 nan 8.150 nan 0.000 0.493 505 R N 1.221 121.871 120.500 0.250 0.000 2.546 505 R HA 0.365 4.721 4.340 0.026 0.000 0.266 505 R C 1.006 177.276 176.300 -0.050 0.000 1.086 505 R CA -0.746 55.426 56.100 0.121 0.000 1.160 505 R CB 0.734 31.076 30.300 0.071 0.000 1.138 505 R HN 0.484 nan 8.270 nan 0.000 0.567 506 V N 0.610 120.334 119.914 -0.317 0.000 2.283 506 V HA -0.194 3.941 4.120 0.026 0.000 0.243 506 V C 0.949 176.926 176.094 -0.196 0.000 1.039 506 V CA 1.835 63.907 62.300 -0.381 0.000 1.016 506 V CB -0.241 31.225 31.823 -0.596 0.000 0.650 506 V HN 0.743 nan 8.190 nan 0.000 0.449 507 D N -1.392 118.924 120.400 -0.139 0.000 2.454 507 D HA 0.104 4.759 4.640 0.026 0.000 0.219 507 D C 0.904 177.186 176.300 -0.029 0.000 1.081 507 D CA 0.078 54.033 54.000 -0.075 0.000 0.867 507 D CB 0.659 41.420 40.800 -0.065 0.000 1.054 507 D HN 0.473 nan 8.370 nan 0.000 0.500 508 E N 1.842 122.029 120.200 -0.022 0.000 2.167 508 E HA 0.101 4.466 4.350 0.026 0.000 0.284 508 E C -0.796 175.802 176.600 -0.003 0.000 1.016 508 E CA -0.588 55.808 56.400 -0.007 0.000 0.817 508 E CB 0.881 30.579 29.700 -0.003 0.000 1.080 508 E HN -0.171 nan 8.360 nan 0.000 0.397 509 D N 3.528 123.927 120.400 -0.002 0.000 2.339 509 D HA 0.104 4.760 4.640 0.026 0.000 0.245 509 D C -0.547 175.633 176.300 -0.199 0.000 1.115 509 D CA 0.263 54.249 54.000 -0.025 0.000 0.917 509 D CB 1.066 41.920 40.800 0.091 0.000 1.192 509 D HN 0.408 nan 8.370 nan 0.000 0.428 510 Q N 1.466 121.009 119.800 -0.428 0.000 2.771 510 Q HA 0.246 4.601 4.340 0.026 0.000 0.247 510 Q C -2.212 173.075 176.000 -1.188 0.000 0.986 510 Q CA -1.517 53.805 55.803 -0.801 0.000 0.713 510 Q CB 2.247 30.506 28.738 -0.798 0.000 1.241 510 Q HN 0.167 nan 8.270 nan 0.000 0.488 511 P HA 0.007 nan 4.420 nan 0.000 0.225 511 P C -0.662 176.304 177.300 -0.557 0.000 1.768 511 P CA -0.094 62.544 63.100 -0.770 0.000 0.943 511 P CB -0.618 30.850 31.700 -0.387 0.000 1.936 512 F N 1.895 121.660 119.950 -0.308 0.000 2.553 512 F HA 0.134 4.676 4.527 0.025 0.000 0.356 512 F C -1.130 174.557 175.800 -0.187 0.000 1.142 512 F CA -2.245 55.636 58.000 -0.198 0.000 1.322 512 F CB -0.719 38.186 39.000 -0.159 0.000 1.126 512 F HN 0.062 nan 8.300 nan 0.000 0.599 513 P HA 0.120 nan 4.420 nan 0.000 0.268 513 P C 0.331 177.644 177.300 0.022 0.000 1.205 513 P CA 0.882 63.995 63.100 0.022 0.000 0.771 513 P CB 1.170 32.883 31.700 0.022 0.000 0.858 514 A N 2.607 125.432 122.820 0.008 0.000 3.275 514 A HA -0.242 4.094 4.320 0.026 0.000 0.241 514 A C 0.692 178.285 177.584 0.015 0.000 0.607 514 A CA 2.018 54.066 52.037 0.019 0.000 1.181 514 A CB -2.667 16.345 19.000 0.021 0.000 1.304 514 A HN 0.718 nan 8.150 nan 0.000 0.682 515 V N -3.173 116.745 119.914 0.007 0.000 2.502 515 V HA 0.551 4.686 4.120 0.026 0.000 0.261 515 V C -2.355 173.731 176.094 -0.012 0.000 0.996 515 V CA -1.206 61.101 62.300 0.013 0.000 1.095 515 V CB 0.648 32.487 31.823 0.026 0.000 1.325 515 V HN 0.488 nan 8.190 nan 0.000 0.574 516 P HA 0.240 nan 4.420 nan 0.000 0.270 516 P C -0.613 176.286 177.300 -0.668 0.000 1.223 516 P CA 0.151 62.862 63.100 -0.647 0.000 0.785 516 P CB 1.038 31.859 31.700 -1.465 0.000 0.923 517 K N 2.025 122.070 120.400 -0.591 0.000 2.414 517 K HA 0.213 4.548 4.320 0.026 0.000 0.251 517 K C -0.426 175.883 176.600 -0.485 0.000 1.037 517 K CA -0.255 55.875 56.287 -0.261 0.000 0.980 517 K CB 0.464 33.063 32.500 0.165 0.000 1.280 517 K HN 0.468 nan 8.250 nan 0.000 0.451 518 W N 1.292 122.250 121.300 -0.570 0.000 2.129 518 W HA 0.072 4.748 4.660 0.027 0.000 0.349 518 W C 1.314 177.820 176.519 -0.022 0.000 1.279 518 W CA -0.440 56.673 57.345 -0.387 0.000 1.306 518 W CB 0.583 29.612 29.460 -0.718 0.000 1.140 518 W HN 0.388 nan 8.180 nan 0.000 0.613 519 S N 2.885 118.727 115.700 0.237 0.000 2.558 519 S HA -0.095 4.390 4.470 0.026 0.000 0.293 519 S C 1.217 175.964 174.600 0.245 0.000 1.292 519 S CA -0.043 58.250 58.200 0.156 0.000 1.063 519 S CB 0.150 63.393 63.200 0.070 0.000 0.831 519 S HN 0.512 nan 8.310 nan 0.000 0.499 520 I N 2.185 122.865 120.570 0.184 0.000 2.286 520 I HA -0.160 4.026 4.170 0.026 0.000 0.248 520 I C 2.059 178.199 176.117 0.038 0.000 1.115 520 I CA 1.362 62.768 61.300 0.176 0.000 1.392 520 I CB -0.427 37.623 38.000 0.083 0.000 1.065 520 I HN 0.606 nan 8.210 nan 0.000 0.418 521 K N 1.475 121.795 120.400 -0.133 0.000 2.057 521 K HA -0.163 4.172 4.320 0.026 0.000 0.206 521 K C 2.312 178.899 176.600 -0.021 0.000 1.050 521 K CA 1.766 57.885 56.287 -0.280 0.000 0.935 521 K CB -0.197 32.062 32.500 -0.401 0.000 0.715 521 K HN 0.393 nan 8.250 nan 0.000 0.439 522 K N 0.076 120.490 120.400 0.023 0.000 2.103 522 K HA -0.169 4.167 4.320 0.026 0.000 0.204 522 K C 1.899 178.522 176.600 0.039 0.000 1.052 522 K CA 0.858 57.148 56.287 0.005 0.000 0.945 522 K CB -0.083 32.388 32.500 -0.050 0.000 0.722 522 K HN 0.206 nan 8.250 nan 0.000 0.443 523 W N 2.152 123.429 121.300 -0.039 0.000 2.338 523 W HA -0.188 4.484 4.660 0.019 0.000 0.304 523 W C 1.610 178.103 176.519 -0.043 0.000 1.212 523 W CA 1.166 58.496 57.345 -0.025 0.000 1.264 523 W CB -0.643 28.878 29.460 0.102 0.000 1.142 523 W HN 0.091 nan 8.180 nan 0.000 0.512 524 L N 0.821 122.198 121.223 0.256 0.000 2.127 524 L HA -0.244 4.112 4.340 0.026 0.000 0.211 524 L C 2.170 179.104 176.870 0.107 0.000 1.089 524 L CA 1.973 56.897 54.840 0.139 0.000 0.757 524 L CB -0.998 41.129 42.059 0.113 0.000 0.899 524 L HN -0.004 nan 8.230 nan 0.000 0.434 525 S N -1.441 114.309 115.700 0.082 0.000 2.582 525 S HA 0.284 4.770 4.470 0.026 0.000 0.234 525 S C 0.525 175.114 174.600 -0.018 0.000 0.961 525 S CA -0.559 57.661 58.200 0.034 0.000 0.953 525 S CB -0.396 62.823 63.200 0.032 0.000 0.800 525 S HN 0.143 nan 8.310 nan 0.000 0.471 526 L N 1.671 122.874 121.223 -0.033 0.000 2.482 526 L HA 0.265 4.621 4.340 0.026 0.000 0.273 526 L C -2.225 174.610 176.870 -0.059 0.000 1.228 526 L CA -1.902 52.864 54.840 -0.123 0.000 0.827 526 L CB -0.368 41.580 42.059 -0.186 0.000 1.099 526 L HN 0.015 nan 8.230 nan 0.000 0.494 527 P HA -0.010 nan 4.420 nan 0.000 0.261 527 P C 0.702 177.993 177.300 -0.015 0.000 1.183 527 P CA 1.062 64.136 63.100 -0.044 0.000 0.761 527 P CB 0.539 32.208 31.700 -0.052 0.000 0.785 528 G N 1.912 110.710 108.800 -0.004 0.000 2.234 528 G HA2 -0.289 3.687 3.960 0.026 0.000 0.260 528 G HA3 -0.289 3.687 3.960 0.026 0.000 0.260 528 G C 0.317 175.230 174.900 0.023 0.000 0.987 528 G CA 0.194 45.299 45.100 0.010 0.000 0.625 528 G HN 0.614 nan 8.290 nan 0.000 0.532 529 E N 1.091 121.310 120.200 0.031 0.000 2.360 529 E HA 0.569 4.934 4.350 0.026 0.000 0.269 529 E C 1.328 177.950 176.600 0.037 0.000 1.022 529 E CA 0.827 57.258 56.400 0.051 0.000 0.887 529 E CB 0.690 30.448 29.700 0.096 0.000 0.990 529 E HN 0.575 nan 8.360 nan 0.000 0.426 530 T N 0.617 115.189 114.554 0.030 0.000 3.186 530 T HA 0.323 4.688 4.350 0.026 0.000 0.292 530 T C 0.520 175.226 174.700 0.011 0.000 0.915 530 T CA -0.510 61.603 62.100 0.021 0.000 0.902 530 T CB 0.055 68.935 68.868 0.019 0.000 1.192 530 T HN 0.253 nan 8.240 nan 0.000 0.563 531 R N 2.401 122.903 120.500 0.003 0.000 2.637 531 R HA 0.467 4.823 4.340 0.026 0.000 0.269 531 R C -2.455 173.822 176.300 -0.038 0.000 1.089 531 R CA -1.850 54.240 56.100 -0.015 0.000 1.177 531 R CB 0.154 30.437 30.300 -0.029 0.000 1.091 531 R HN 0.230 nan 8.270 nan 0.000 0.540 532 P HA 0.071 nan 4.420 nan 0.000 0.274 532 P C -1.083 176.146 177.300 -0.118 0.000 1.237 532 P CA -0.079 62.979 63.100 -0.071 0.000 0.793 532 P CB 0.738 32.397 31.700 -0.068 0.000 0.977 533 L N 2.448 123.581 121.223 -0.150 0.000 2.349 533 L HA 0.576 4.931 4.340 0.026 0.000 0.278 533 L C -0.986 175.742 176.870 -0.236 0.000 0.996 533 L CA -0.734 53.979 54.840 -0.212 0.000 0.825 533 L CB 0.700 42.628 42.059 -0.219 0.000 1.243 533 L HN 0.239 nan 8.230 nan 0.000 0.412 534 I N 5.681 126.117 120.570 -0.222 0.000 2.497 534 I HA 0.258 4.443 4.170 0.026 0.000 0.284 534 I C -0.721 175.304 176.117 -0.152 0.000 1.060 534 I CA -0.505 60.650 61.300 -0.241 0.000 1.071 534 I CB 1.953 39.869 38.000 -0.141 0.000 1.216 534 I HN 0.474 nan 8.210 nan 0.000 0.442 535 L N 5.454 126.554 121.223 -0.204 0.000 2.499 535 L HA 0.008 4.364 4.340 0.026 0.000 0.273 535 L C 1.523 178.477 176.870 0.140 0.000 1.195 535 L CA -0.074 54.720 54.840 -0.076 0.000 0.882 535 L CB 0.581 42.568 42.059 -0.119 0.000 1.133 535 L HN 0.872 nan 8.230 nan 0.000 0.483 536 C N 0.143 119.505 119.300 0.104 0.000 2.468 536 C HA 0.151 4.626 4.460 0.026 0.000 0.277 536 C C 0.604 175.763 174.990 0.281 0.000 1.400 536 C CA -0.213 58.920 59.018 0.192 0.000 1.770 536 C CB -1.082 26.681 27.740 0.039 0.000 1.905 536 C HN 0.822 nan 8.230 nan 0.000 0.519 537 E N -0.749 119.546 120.200 0.159 0.000 2.321 537 E HA 0.600 4.966 4.350 0.026 0.000 0.281 537 E C -1.387 175.221 176.600 0.013 0.000 0.910 537 E CA -0.395 56.106 56.400 0.167 0.000 0.770 537 E CB 1.940 31.565 29.700 -0.124 0.000 1.225 537 E HN 0.684 nan 8.360 nan 0.000 0.417 538 Y N -1.149 119.201 120.300 0.083 0.000 2.689 538 Y HA 0.641 5.208 4.550 0.028 0.000 0.333 538 Y C -0.683 175.406 175.900 0.315 0.000 1.208 538 Y CA -0.949 57.191 58.100 0.066 0.000 1.055 538 Y CB 0.910 39.231 38.460 -0.231 0.000 1.304 538 Y HN 0.650 nan 8.280 nan 0.000 0.455 539 A N 1.872 124.771 122.820 0.130 0.000 2.303 539 A HA -0.266 4.070 4.320 0.026 0.000 0.286 539 A C -0.458 177.250 177.584 0.207 0.000 1.429 539 A CA 1.055 53.154 52.037 0.103 0.000 0.738 539 A CB -2.431 16.527 19.000 -0.071 0.000 1.149 539 A HN 1.074 nan 8.150 nan 0.000 0.364 540 H N 0.947 120.160 119.070 0.239 0.000 3.145 540 H HA 0.301 4.872 4.556 0.025 0.000 0.263 540 H C 1.052 176.433 175.328 0.087 0.000 1.057 540 H CA 0.753 56.953 56.048 0.254 0.000 1.477 540 H CB 0.402 30.173 29.762 0.015 0.000 1.529 540 H HN 0.809 nan 8.280 nan 0.000 0.508 541 A N 6.703 129.420 122.820 -0.172 0.000 3.019 541 A HA 0.074 4.409 4.320 0.026 0.000 0.262 541 A C 0.799 178.191 177.584 -0.321 0.000 1.509 541 A CA -0.398 51.505 52.037 -0.224 0.000 1.159 541 A CB -0.664 18.214 19.000 -0.203 0.000 1.042 541 A HN 0.798 nan 8.150 nan 0.000 0.641 542 M N 1.531 120.938 119.600 -0.321 0.000 2.108 542 M HA 0.458 4.954 4.480 0.026 0.000 0.347 542 M C 0.962 177.023 176.300 -0.398 0.000 1.326 542 M CA 1.203 56.309 55.300 -0.323 0.000 1.126 542 M CB -0.083 32.409 32.600 -0.180 0.000 1.606 542 M HN 0.849 nan 8.290 nan 0.000 0.462 543 G N 4.180 112.667 108.800 -0.521 0.000 2.547 543 G HA2 -0.333 3.642 3.960 0.026 0.000 0.271 543 G HA3 -0.333 3.642 3.960 0.026 0.000 0.271 543 G C -0.249 174.041 174.900 -1.016 0.000 1.209 543 G CA -0.040 44.589 45.100 -0.785 0.000 0.959 543 G HN 0.836 nan 8.290 nan 0.000 0.563 544 N N 1.219 119.218 118.700 -1.170 0.000 2.421 544 N HA 0.490 5.245 4.740 0.026 0.000 0.260 544 N C 0.066 175.284 175.510 -0.487 0.000 1.173 544 N CA 1.113 53.663 53.050 -0.835 0.000 0.960 544 N CB 0.507 38.533 38.487 -0.768 0.000 1.273 544 N HN 0.867 nan 8.380 nan 0.000 0.497 545 S N 2.224 117.711 115.700 -0.355 0.000 2.973 545 S HA 0.581 5.067 4.470 0.026 0.000 0.317 545 S C -0.133 174.371 174.600 -0.160 0.000 1.196 545 S CA -0.315 57.741 58.200 -0.240 0.000 0.894 545 S CB 0.001 63.065 63.200 -0.228 0.000 1.292 545 S HN 0.360 nan 8.310 nan 0.000 0.614 546 L N 0.059 121.230 121.223 -0.087 0.000 4.793 546 L HA -0.053 4.302 4.340 0.026 0.000 0.404 546 L C 0.518 177.419 176.870 0.051 0.000 1.022 546 L CA 0.919 55.738 54.840 -0.034 0.000 1.242 546 L CB -1.717 40.235 42.059 -0.179 0.000 2.049 546 L HN 0.745 nan 8.230 nan 0.000 0.637 547 G N -0.767 108.033 108.800 -0.001 0.000 2.343 547 G HA2 0.477 4.453 3.960 0.026 0.000 0.254 547 G HA3 0.477 4.453 3.960 0.026 0.000 0.254 547 G C 1.219 176.160 174.900 0.069 0.000 1.277 547 G CA 0.206 45.290 45.100 -0.027 0.000 0.909 547 G HN 1.364 nan 8.290 nan 0.000 0.502 548 G N 1.744 110.584 108.800 0.067 0.000 2.157 548 G HA2 -0.309 3.667 3.960 0.026 0.000 0.239 548 G HA3 -0.309 3.667 3.960 0.026 0.000 0.239 548 G C 0.975 176.063 174.900 0.313 0.000 0.982 548 G CA 0.690 45.887 45.100 0.161 0.000 0.650 548 G HN 0.756 nan 8.290 nan 0.000 0.527 549 F N 1.840 121.908 119.950 0.197 0.000 2.126 549 F HA 0.125 4.668 4.527 0.027 0.000 0.299 549 F C 2.681 178.693 175.800 0.353 0.000 1.096 549 F CA 2.621 60.809 58.000 0.314 0.000 1.255 549 F CB -0.424 38.700 39.000 0.207 0.000 0.997 549 F HN 0.341 nan 8.300 nan 0.000 0.479 550 A N -0.370 122.625 122.820 0.290 0.000 2.019 550 A HA -0.236 4.100 4.320 0.026 0.000 0.219 550 A C 2.277 179.890 177.584 0.048 0.000 1.164 550 A CA 1.722 53.858 52.037 0.165 0.000 0.644 550 A CB -0.812 18.288 19.000 0.167 0.000 0.805 550 A HN 0.457 nan 8.150 nan 0.000 0.449 551 K N -1.612 118.802 120.400 0.022 0.000 2.147 551 K HA -0.169 4.166 4.320 0.026 0.000 0.205 551 K C 1.652 178.044 176.600 -0.348 0.000 1.049 551 K CA 1.551 57.767 56.287 -0.118 0.000 0.936 551 K CB -0.293 32.143 32.500 -0.108 0.000 0.722 551 K HN 0.593 nan 8.250 nan 0.000 0.446 552 Y N -1.007 119.027 120.300 -0.444 0.000 2.200 552 Y HA -0.211 4.354 4.550 0.024 0.000 0.290 552 Y C 1.907 176.853 175.900 -1.590 0.000 1.137 552 Y CA 1.358 58.831 58.100 -1.045 0.000 1.163 552 Y CB -0.228 37.574 38.460 -1.096 0.000 0.988 552 Y HN 0.159 nan 8.280 nan 0.000 0.518 553 W N 0.021 120.898 121.300 -0.705 0.000 2.388 553 W HA -0.181 4.496 4.660 0.029 0.000 0.294 553 W C 2.598 178.939 176.519 -0.296 0.000 1.212 553 W CA 1.406 58.453 57.345 -0.497 0.000 1.271 553 W CB -0.502 28.760 29.460 -0.330 0.000 1.126 553 W HN 0.041 nan 8.180 nan 0.000 0.535 554 Q N 0.792 120.506 119.800 -0.143 0.000 2.119 554 Q HA -0.148 4.207 4.340 0.026 0.000 0.201 554 Q C 2.157 178.099 176.000 -0.098 0.000 0.972 554 Q CA 1.947 57.709 55.803 -0.069 0.000 0.847 554 Q CB -0.514 28.197 28.738 -0.044 0.000 0.903 554 Q HN 0.266 nan 8.270 nan 0.000 0.433 555 A N 0.073 122.743 122.820 -0.250 0.000 1.873 555 A HA -0.105 4.231 4.320 0.026 0.000 0.215 555 A C 2.051 179.597 177.584 -0.063 0.000 1.186 555 A CA 1.056 52.973 52.037 -0.199 0.000 0.616 555 A CB -1.094 17.670 19.000 -0.393 0.000 0.823 555 A HN 0.471 nan 8.150 nan 0.000 0.442 556 F N -0.345 119.420 119.950 -0.309 0.000 2.120 556 F HA -0.239 4.304 4.527 0.026 0.000 0.300 556 F C 2.763 178.460 175.800 -0.171 0.000 1.095 556 F CA 1.216 59.006 58.000 -0.350 0.000 1.249 556 F CB -0.164 38.394 39.000 -0.738 0.000 0.995 556 F HN 0.165 nan 8.300 nan 0.000 0.480 557 R N -0.065 120.481 120.500 0.078 0.000 2.148 557 R HA -0.147 4.208 4.340 0.026 0.000 0.223 557 R C 2.085 178.419 176.300 0.056 0.000 1.088 557 R CA 0.990 57.125 56.100 0.058 0.000 0.985 557 R CB -0.327 30.003 30.300 0.049 0.000 0.880 557 R HN 0.385 nan 8.270 nan 0.000 0.451 558 Q N -0.383 119.479 119.800 0.103 0.000 2.269 558 Q HA -0.038 4.318 4.340 0.026 0.000 0.201 558 Q C -0.500 175.531 176.000 0.051 0.000 0.946 558 Q CA 0.799 56.651 55.803 0.083 0.000 0.877 558 Q CB 0.432 29.250 28.738 0.134 0.000 0.963 558 Q HN 0.179 nan 8.270 nan 0.000 0.472 559 Y N 0.127 120.407 120.300 -0.033 0.000 2.342 559 Y HA 0.277 4.841 4.550 0.023 0.000 0.338 559 Y C -1.787 174.086 175.900 -0.045 0.000 0.965 559 Y CA -2.769 55.311 58.100 -0.033 0.000 1.159 559 Y CB 1.543 39.988 38.460 -0.025 0.000 1.157 559 Y HN 0.097 nan 8.280 nan 0.000 0.486 560 P HA -0.179 nan 4.420 nan 0.000 0.214 560 P C 1.145 178.446 177.300 0.002 0.000 1.163 560 P CA 1.913 65.014 63.100 0.001 0.000 0.889 560 P CB 0.301 31.986 31.700 -0.024 0.000 0.790 561 R N -1.190 119.329 120.500 0.033 0.000 2.316 561 R HA 0.072 4.427 4.340 0.026 0.000 0.202 561 R C 0.469 176.748 176.300 -0.035 0.000 1.029 561 R CA 0.160 56.261 56.100 0.000 0.000 1.018 561 R CB -0.544 29.767 30.300 0.018 0.000 0.888 561 R HN 0.245 nan 8.270 nan 0.000 0.471 562 L N 1.826 123.045 121.223 -0.005 0.000 2.312 562 L HA 0.120 4.476 4.340 0.026 0.000 0.287 562 L C 0.570 177.291 176.870 -0.248 0.000 1.091 562 L CA 0.171 54.955 54.840 -0.094 0.000 0.846 562 L CB 1.094 43.170 42.059 0.027 0.000 1.219 562 L HN 0.082 nan 8.230 nan 0.000 0.439 563 Q N 2.726 122.304 119.800 -0.369 0.000 2.201 563 Q HA 0.305 4.660 4.340 0.026 0.000 0.217 563 Q C 0.811 176.396 176.000 -0.691 0.000 0.860 563 Q CA 0.106 55.657 55.803 -0.420 0.000 0.984 563 Q CB 1.019 29.604 28.738 -0.254 0.000 1.095 563 Q HN 0.959 nan 8.270 nan 0.000 0.477 564 G N -0.355 107.656 108.800 -1.314 0.000 2.384 564 G HA2 0.113 4.088 3.960 0.026 0.000 0.200 564 G HA3 0.113 4.088 3.960 0.026 0.000 0.200 564 G C -0.336 173.707 174.900 -1.427 0.000 1.205 564 G CA -0.740 43.195 45.100 -1.941 0.000 1.116 564 G HN 0.560 nan 8.290 nan 0.000 0.547 565 G N -2.083 106.193 108.800 -0.874 0.000 2.356 565 G HA2 0.632 4.607 3.960 0.026 0.000 0.294 565 G HA3 0.632 4.607 3.960 0.026 0.000 0.294 565 G C -1.797 173.014 174.900 -0.149 0.000 1.423 565 G CA -0.332 44.480 45.100 -0.481 0.000 0.806 565 G HN 1.107 nan 8.290 nan 0.000 0.527 566 F N 0.763 120.958 119.950 0.408 0.000 2.375 566 F HA 0.515 5.056 4.527 0.024 0.000 0.361 566 F C 0.856 176.943 175.800 0.479 0.000 1.117 566 F CA -0.724 57.528 58.000 0.420 0.000 1.037 566 F CB 1.999 41.148 39.000 0.250 0.000 1.192 566 F HN 0.253 nan 8.300 nan 0.000 0.452 567 V N 3.427 123.626 119.914 0.475 0.000 2.872 567 V HA -0.136 4.000 4.120 0.026 0.000 0.307 567 V C -0.246 175.990 176.094 0.236 0.000 1.072 567 V CA -0.247 62.131 62.300 0.130 0.000 1.148 567 V CB 0.814 32.739 31.823 0.170 0.000 0.954 567 V HN 0.750 nan 8.190 nan 0.000 0.490 568 W N 6.373 127.771 121.300 0.164 0.000 2.278 568 W HA 0.450 5.125 4.660 0.025 0.000 0.317 568 W C -0.820 175.729 176.519 0.050 0.000 1.030 568 W CA -0.648 56.835 57.345 0.231 0.000 1.334 568 W CB 1.232 31.014 29.460 0.537 0.000 1.215 568 W HN 0.918 nan 8.180 nan 0.000 0.405 569 D N 2.784 122.875 120.400 -0.514 0.000 2.895 569 D HA 0.086 4.741 4.640 0.026 0.000 0.320 569 D C 0.600 176.714 176.300 -0.311 0.000 1.249 569 D CA -0.544 53.022 54.000 -0.724 0.000 0.997 569 D CB 0.199 39.993 40.800 -1.676 0.000 1.430 569 D HN 0.419 nan 8.370 nan 0.000 0.558 570 W N 0.407 121.431 121.300 -0.460 0.000 2.413 570 W HA 0.159 4.834 4.660 0.026 0.000 0.315 570 W C -0.085 176.281 176.519 -0.255 0.000 1.186 570 W CA 1.041 58.181 57.345 -0.341 0.000 1.326 570 W CB 0.383 29.652 29.460 -0.317 0.000 1.153 570 W HN 0.154 nan 8.180 nan 0.000 0.489 571 V N 2.542 122.280 119.914 -0.294 0.000 2.735 571 V HA 0.255 4.390 4.120 0.026 0.000 0.310 571 V C -0.879 175.076 176.094 -0.232 0.000 1.061 571 V CA -0.808 61.269 62.300 -0.372 0.000 0.913 571 V CB 1.592 33.263 31.823 -0.254 0.000 1.005 571 V HN -0.111 nan 8.190 nan 0.000 0.428 572 D N 3.892 124.165 120.400 -0.211 0.000 2.455 572 D HA 0.133 4.788 4.640 0.026 0.000 0.241 572 D C 0.211 176.369 176.300 -0.237 0.000 1.138 572 D CA 0.580 54.489 54.000 -0.151 0.000 0.877 572 D CB 0.925 41.704 40.800 -0.035 0.000 1.187 572 D HN 0.603 nan 8.370 nan 0.000 0.451 573 Q N 1.151 120.735 119.800 -0.359 0.000 3.207 573 Q HA 0.139 4.495 4.340 0.026 0.000 0.335 573 Q C -0.122 175.795 176.000 -0.139 0.000 1.374 573 Q CA -0.338 54.975 55.803 -0.817 0.000 1.023 573 Q CB 0.060 28.475 28.738 -0.539 0.000 1.576 573 Q HN 0.354 nan 8.270 nan 0.000 0.515 574 S N -0.005 115.736 115.700 0.068 0.000 2.616 574 S HA 0.626 5.111 4.470 0.026 0.000 0.277 574 S C -0.113 174.653 174.600 0.277 0.000 1.234 574 S CA -0.767 57.591 58.200 0.264 0.000 1.028 574 S CB 1.465 64.806 63.200 0.235 0.000 0.988 574 S HN 0.350 nan 8.310 nan 0.000 0.522 575 L N 1.801 123.111 121.223 0.145 0.000 2.342 575 L HA 0.536 4.891 4.340 0.026 0.000 0.271 575 L C -0.482 176.295 176.870 -0.154 0.000 1.008 575 L CA -1.201 53.605 54.840 -0.057 0.000 0.818 575 L CB 1.527 43.440 42.059 -0.244 0.000 1.296 575 L HN 0.555 nan 8.230 nan 0.000 0.427 576 I N 2.293 122.720 120.570 -0.238 0.000 2.428 576 I HA 0.290 4.475 4.170 0.026 0.000 0.289 576 I C 0.136 175.868 176.117 -0.641 0.000 1.019 576 I CA -0.100 60.935 61.300 -0.441 0.000 1.351 576 I CB 1.224 38.980 38.000 -0.407 0.000 1.412 576 I HN 0.575 nan 8.210 nan 0.000 0.513 577 K N 5.151 124.895 120.400 -1.094 0.000 2.352 577 K HA 0.561 4.897 4.320 0.026 0.000 0.240 577 K C -1.535 174.276 176.600 -1.316 0.000 1.017 577 K CA -0.701 54.882 56.287 -1.173 0.000 0.851 577 K CB 2.163 33.716 32.500 -1.578 0.000 1.261 577 K HN 0.225 nan 8.250 nan 0.000 0.451 578 Y N 0.842 120.925 120.300 -0.361 0.000 2.393 578 Y HA 0.140 4.706 4.550 0.026 0.000 0.341 578 Y C 0.201 176.192 175.900 0.152 0.000 0.988 578 Y CA -1.089 56.967 58.100 -0.074 0.000 1.078 578 Y CB 1.155 39.586 38.460 -0.048 0.000 1.203 578 Y HN 0.663 nan 8.280 nan 0.000 0.453 579 D N 0.128 120.762 120.400 0.390 0.000 2.447 579 D HA 0.068 4.724 4.640 0.026 0.000 0.265 579 D C 0.600 177.008 176.300 0.180 0.000 1.250 579 D CA -0.438 53.743 54.000 0.303 0.000 1.046 579 D CB 0.520 41.436 40.800 0.193 0.000 1.095 579 D HN 0.685 nan 8.370 nan 0.000 0.555 580 E N -0.549 119.718 120.200 0.112 0.000 2.130 580 E HA -0.223 4.142 4.350 0.026 0.000 0.196 580 E C 1.103 177.742 176.600 0.065 0.000 0.998 580 E CA 1.183 57.626 56.400 0.070 0.000 0.806 580 E CB -0.425 29.298 29.700 0.038 0.000 0.738 580 E HN 0.335 nan 8.360 nan 0.000 0.459 581 N N -0.013 118.732 118.700 0.075 0.000 2.461 581 N HA 0.018 4.773 4.740 0.026 0.000 0.188 581 N C 1.073 176.632 175.510 0.082 0.000 1.134 581 N CA 1.011 54.100 53.050 0.065 0.000 0.878 581 N CB 0.927 39.450 38.487 0.059 0.000 0.972 581 N HN 0.416 nan 8.380 nan 0.000 0.456 582 G N 0.314 109.188 108.800 0.124 0.000 2.176 582 G HA2 -0.249 3.726 3.960 0.026 0.000 0.253 582 G HA3 -0.249 3.726 3.960 0.026 0.000 0.253 582 G C -0.148 174.904 174.900 0.254 0.000 0.979 582 G CA -0.368 44.816 45.100 0.139 0.000 0.641 582 G HN 0.287 nan 8.290 nan 0.000 0.530 583 N N 2.088 120.927 118.700 0.231 0.000 2.499 583 N HA 0.434 5.190 4.740 0.026 0.000 0.281 583 N C -2.395 173.253 175.510 0.229 0.000 1.098 583 N CA -1.042 52.140 53.050 0.220 0.000 0.979 583 N CB 1.688 40.264 38.487 0.148 0.000 1.121 583 N HN 0.216 nan 8.380 nan 0.000 0.466 584 P HA 0.228 nan 4.420 nan 0.000 0.274 584 P C -0.522 176.740 177.300 -0.063 0.000 1.231 584 P CA -0.284 62.667 63.100 -0.249 0.000 0.790 584 P CB 0.714 32.273 31.700 -0.235 0.000 0.951 585 W N -0.517 120.536 121.300 -0.411 0.000 3.167 585 W HA 0.423 5.098 4.660 0.026 0.000 0.324 585 W C -1.525 174.813 176.519 -0.300 0.000 1.230 585 W CA -1.061 56.054 57.345 -0.382 0.000 1.184 585 W CB 0.441 29.445 29.460 -0.760 0.000 1.414 585 W HN 0.120 nan 8.180 nan 0.000 0.551 586 S N 1.721 117.504 115.700 0.138 0.000 2.474 586 S HA 0.590 5.076 4.470 0.026 0.000 0.276 586 S C 0.159 174.931 174.600 0.286 0.000 1.227 586 S CA -0.220 58.053 58.200 0.121 0.000 1.050 586 S CB 0.908 64.226 63.200 0.197 0.000 0.939 586 S HN 0.611 nan 8.310 nan 0.000 0.490 587 A N 2.927 125.782 122.820 0.059 0.000 2.354 587 A HA 0.907 5.243 4.320 0.026 0.000 0.321 587 A C -0.760 177.080 177.584 0.426 0.000 1.125 587 A CA -0.777 51.344 52.037 0.140 0.000 0.799 587 A CB 0.776 19.547 19.000 -0.382 0.000 1.293 587 A HN 0.836 nan 8.150 nan 0.000 0.452 588 Y N -0.886 119.719 120.300 0.508 0.000 3.048 588 Y HA 0.777 5.342 4.550 0.026 0.000 0.305 588 Y C 0.697 176.961 175.900 0.607 0.000 1.538 588 Y CA -1.357 57.054 58.100 0.518 0.000 1.082 588 Y CB -0.129 38.469 38.460 0.230 0.000 1.388 588 Y HN 0.923 nan 8.280 nan 0.000 0.557 589 G N -0.211 108.988 108.800 0.666 0.000 2.321 589 G HA2 0.361 4.337 3.960 0.026 0.000 0.237 589 G HA3 0.361 4.337 3.960 0.026 0.000 0.237 589 G C 0.971 176.181 174.900 0.517 0.000 1.282 589 G CA 0.450 45.860 45.100 0.517 0.000 0.886 589 G HN 1.971 nan 8.290 nan 0.000 0.528 590 G N 2.112 111.177 108.800 0.441 0.000 2.253 590 G HA2 -0.289 3.687 3.960 0.026 0.000 0.251 590 G HA3 -0.289 3.687 3.960 0.026 0.000 0.251 590 G C 0.934 176.013 174.900 0.298 0.000 0.998 590 G CA 0.712 46.011 45.100 0.333 0.000 0.621 590 G HN 0.646 nan 8.290 nan 0.000 0.524 591 D N -0.183 120.400 120.400 0.305 0.000 2.371 591 D HA 0.128 4.783 4.640 0.026 0.000 0.221 591 D C 1.371 177.507 176.300 -0.272 0.000 0.986 591 D CA 0.516 54.533 54.000 0.029 0.000 0.899 591 D CB -0.201 40.568 40.800 -0.052 0.000 0.902 591 D HN 0.488 nan 8.370 nan 0.000 0.530 592 F N -0.822 119.250 119.950 0.204 0.000 2.654 592 F HA 0.305 4.848 4.527 0.026 0.000 0.303 592 F C 1.800 177.684 175.800 0.141 0.000 1.099 592 F CA -0.116 57.965 58.000 0.135 0.000 1.270 592 F CB 0.752 39.832 39.000 0.132 0.000 1.024 592 F HN -0.044 nan 8.300 nan 0.000 0.548 593 G N 0.367 109.314 108.800 0.245 0.000 2.176 593 G HA2 -0.263 3.712 3.960 0.026 0.000 0.253 593 G HA3 -0.263 3.712 3.960 0.026 0.000 0.253 593 G C -0.266 174.766 174.900 0.220 0.000 0.979 593 G CA 0.083 45.299 45.100 0.193 0.000 0.641 593 G HN 0.388 nan 8.290 nan 0.000 0.530 594 D N 0.560 121.137 120.400 0.296 0.000 2.383 594 D HA 0.512 5.168 4.640 0.026 0.000 0.252 594 D C 0.154 176.567 176.300 0.189 0.000 1.166 594 D CA 0.868 55.028 54.000 0.268 0.000 0.879 594 D CB 1.637 42.652 40.800 0.358 0.000 1.164 594 D HN 0.439 nan 8.370 nan 0.000 0.462 595 T N 1.005 115.640 114.554 0.135 0.000 3.047 595 T HA 0.429 4.794 4.350 0.026 0.000 0.340 595 T C -2.792 171.939 174.700 0.052 0.000 1.421 595 T CA -1.148 61.004 62.100 0.086 0.000 1.090 595 T CB 1.094 70.014 68.868 0.088 0.000 1.292 595 T HN 0.212 nan 8.240 nan 0.000 0.480 596 P HA 0.514 nan 4.420 nan 0.000 0.272 596 P C -0.957 176.327 177.300 -0.027 0.000 1.240 596 P CA -0.324 62.771 63.100 -0.008 0.000 0.791 596 P CB 0.337 32.008 31.700 -0.049 0.000 0.978 597 N N -1.860 116.820 118.700 -0.034 0.000 2.732 597 N HA 0.274 5.030 4.740 0.026 0.000 0.259 597 N C -1.081 174.368 175.510 -0.102 0.000 1.402 597 N CA -0.742 52.261 53.050 -0.079 0.000 0.829 597 N CB 0.783 39.313 38.487 0.073 0.000 1.495 597 N HN 0.078 nan 8.380 nan 0.000 0.511 598 D N -0.307 119.970 120.400 -0.204 0.000 2.559 598 D HA 0.126 4.782 4.640 0.026 0.000 0.234 598 D C 0.503 176.990 176.300 0.312 0.000 1.226 598 D CA -0.096 53.870 54.000 -0.057 0.000 0.830 598 D CB 0.137 40.763 40.800 -0.291 0.000 1.028 598 D HN 0.726 nan 8.370 nan 0.000 0.492 599 R N 0.908 121.598 120.500 0.317 0.000 3.682 599 R HA -0.327 4.029 4.340 0.026 0.000 0.519 599 R C 1.142 177.504 176.300 0.104 0.000 0.241 599 R CA 1.599 57.900 56.100 0.336 0.000 1.619 599 R CB -1.618 28.802 30.300 0.200 0.000 0.923 599 R HN 0.139 nan 8.270 nan 0.000 0.598 600 Q N 1.520 121.036 119.800 -0.475 0.000 2.482 600 Q HA -0.015 4.341 4.340 0.026 0.000 0.209 600 Q C 1.642 177.362 176.000 -0.467 0.000 0.961 600 Q CA 1.396 56.724 55.803 -0.792 0.000 0.945 600 Q CB -0.008 28.035 28.738 -1.158 0.000 1.012 600 Q HN 0.618 nan 8.270 nan 0.000 0.515 601 F N 1.548 121.436 119.950 -0.102 0.000 2.494 601 F HA -0.132 4.411 4.527 0.026 0.000 0.298 601 F C 2.259 178.005 175.800 -0.089 0.000 1.106 601 F CA 1.087 59.094 58.000 0.011 0.000 1.452 601 F CB -0.182 38.895 39.000 0.128 0.000 1.085 601 F HN 0.412 nan 8.300 nan 0.000 0.569 602 C N -1.212 117.822 119.300 -0.444 0.000 2.539 602 C HA 0.210 4.686 4.460 0.026 0.000 0.271 602 C C 0.970 175.773 174.990 -0.312 0.000 1.412 602 C CA -0.480 58.074 59.018 -0.772 0.000 1.729 602 C CB -1.713 25.000 27.740 -1.712 0.000 1.739 602 C HN 0.208 nan 8.230 nan 0.000 0.570 603 M N 2.504 121.977 119.600 -0.211 0.000 2.027 603 M HA 0.282 4.777 4.480 0.026 0.000 0.329 603 M C -0.459 175.750 176.300 -0.151 0.000 0.971 603 M CA 0.317 55.527 55.300 -0.150 0.000 0.933 603 M CB 0.191 32.723 32.600 -0.113 0.000 1.392 603 M HN 0.344 nan 8.290 nan 0.000 0.394 604 N N 0.994 119.622 118.700 -0.120 0.000 2.305 604 N HA 0.220 4.976 4.740 0.026 0.000 0.248 604 N C 0.246 175.615 175.510 -0.235 0.000 1.290 604 N CA -0.547 52.393 53.050 -0.182 0.000 0.873 604 N CB 1.290 39.779 38.487 0.004 0.000 1.261 604 N HN 0.653 nan 8.380 nan 0.000 0.504 605 G N -0.132 108.542 108.800 -0.211 0.000 2.488 605 G HA2 0.382 4.358 3.960 0.026 0.000 0.318 605 G HA3 0.382 4.358 3.960 0.026 0.000 0.318 605 G C 0.679 175.463 174.900 -0.193 0.000 1.188 605 G CA -0.574 44.372 45.100 -0.257 0.000 0.944 605 G HN 0.093 nan 8.290 nan 0.000 0.495 606 L N -0.366 120.679 121.223 -0.297 0.000 2.395 606 L HA 0.114 4.469 4.340 0.026 0.000 0.218 606 L C 0.838 177.454 176.870 -0.423 0.000 1.130 606 L CA 0.432 55.114 54.840 -0.265 0.000 0.826 606 L CB -0.259 41.643 42.059 -0.262 0.000 0.941 606 L HN 0.377 nan 8.230 nan 0.000 0.451 607 V N -5.139 114.360 119.914 -0.691 0.000 2.962 607 V HA 0.460 4.596 4.120 0.026 0.000 0.313 607 V C -0.269 175.371 176.094 -0.757 0.000 1.099 607 V CA -1.276 60.545 62.300 -0.799 0.000 0.971 607 V CB 1.622 32.926 31.823 -0.865 0.000 1.028 607 V HN -0.138 nan 8.190 nan 0.000 0.430 608 F N 1.713 121.239 119.950 -0.706 0.000 2.485 608 F HA 0.527 5.070 4.527 0.026 0.000 0.327 608 F C 1.960 177.589 175.800 -0.286 0.000 1.203 608 F CA 0.652 58.378 58.000 -0.456 0.000 1.295 608 F CB 0.943 39.718 39.000 -0.375 0.000 1.191 608 F HN 0.796 nan 8.300 nan 0.000 0.588 609 A N 0.827 123.682 122.820 0.058 0.000 2.032 609 A HA -0.231 4.105 4.320 0.026 0.000 0.221 609 A C 1.604 179.144 177.584 -0.073 0.000 1.165 609 A CA 1.892 53.937 52.037 0.012 0.000 0.645 609 A CB -0.956 18.092 19.000 0.081 0.000 0.807 609 A HN 0.796 nan 8.150 nan 0.000 0.453 610 D N -3.020 117.339 120.400 -0.068 0.000 2.328 610 D HA 0.154 4.810 4.640 0.026 0.000 0.226 610 D C 0.722 176.975 176.300 -0.079 0.000 1.066 610 D CA 0.031 53.966 54.000 -0.108 0.000 0.861 610 D CB -0.064 40.673 40.800 -0.106 0.000 0.912 610 D HN 0.246 nan 8.370 nan 0.000 0.521 611 R N -2.004 118.442 120.500 -0.089 0.000 3.728 611 R HA -0.121 4.234 4.340 0.026 0.000 0.478 611 R C -0.202 176.048 176.300 -0.084 0.000 0.932 611 R CA 1.170 57.214 56.100 -0.094 0.000 1.317 611 R CB -3.087 27.206 30.300 -0.012 0.000 1.987 611 R HN 0.246 nan 8.270 nan 0.000 0.509 612 T N 2.760 117.284 114.554 -0.050 0.000 2.916 612 T HA 0.311 4.676 4.350 0.026 0.000 0.303 612 T C -2.308 172.375 174.700 -0.029 0.000 1.025 612 T CA -0.582 61.506 62.100 -0.020 0.000 1.142 612 T CB 0.909 69.759 68.868 -0.029 0.000 0.947 612 T HN -0.085 nan 8.240 nan 0.000 0.544 613 P HA 0.260 nan 4.420 nan 0.000 0.275 613 P C -0.294 176.909 177.300 -0.163 0.000 1.228 613 P CA -0.309 62.699 63.100 -0.153 0.000 0.786 613 P CB 0.462 32.126 31.700 -0.061 0.000 0.927 614 H N 2.500 121.408 119.070 -0.270 0.000 2.544 614 H HA 0.147 4.718 4.556 0.026 0.000 0.365 614 H C -1.184 174.044 175.328 -0.167 0.000 1.268 614 H CA -1.440 54.416 56.048 -0.321 0.000 1.400 614 H CB 0.037 29.559 29.762 -0.400 0.000 1.538 614 H HN 0.354 nan 8.280 nan 0.000 0.597 615 P HA -0.154 nan 4.420 nan 0.000 0.220 615 P C 0.912 178.207 177.300 -0.007 0.000 1.148 615 P CA 1.524 64.616 63.100 -0.013 0.000 0.803 615 P CB 0.038 31.732 31.700 -0.009 0.000 0.782 616 A N -0.547 122.262 122.820 -0.019 0.000 2.070 616 A HA -0.167 4.169 4.320 0.026 0.000 0.220 616 A C 2.049 179.585 177.584 -0.080 0.000 1.159 616 A CA 1.113 53.105 52.037 -0.076 0.000 0.656 616 A CB -1.542 17.376 19.000 -0.137 0.000 0.800 616 A HN 0.157 nan 8.150 nan 0.000 0.453 617 L N -0.503 120.701 121.223 -0.032 0.000 2.079 617 L HA -0.125 4.231 4.340 0.026 0.000 0.210 617 L C 2.512 179.428 176.870 0.077 0.000 1.081 617 L CA 2.725 57.584 54.840 0.033 0.000 0.752 617 L CB -1.060 41.018 42.059 0.032 0.000 0.896 617 L HN 0.383 nan 8.230 nan 0.000 0.433 618 T N -1.534 113.068 114.554 0.080 0.000 2.788 618 T HA -0.228 4.137 4.350 0.026 0.000 0.268 618 T C 1.823 176.628 174.700 0.175 0.000 1.044 618 T CA 1.572 63.771 62.100 0.165 0.000 1.139 618 T CB -0.145 68.802 68.868 0.132 0.000 0.867 618 T HN 0.488 nan 8.240 nan 0.000 0.454 619 E N 0.768 121.010 120.200 0.070 0.000 2.051 619 E HA 0.017 4.382 4.350 0.026 0.000 0.192 619 E C 2.215 178.817 176.600 0.003 0.000 0.991 619 E CA 1.488 57.928 56.400 0.066 0.000 0.799 619 E CB -0.694 29.007 29.700 0.002 0.000 0.748 619 E HN 0.543 nan 8.360 nan 0.000 0.449 620 A N 0.949 123.656 122.820 -0.189 0.000 1.877 620 A HA -0.240 4.095 4.320 0.026 0.000 0.216 620 A C 2.177 179.646 177.584 -0.192 0.000 1.186 620 A CA 1.981 53.864 52.037 -0.256 0.000 0.620 620 A CB -0.660 18.198 19.000 -0.237 0.000 0.822 620 A HN 0.271 nan 8.150 nan 0.000 0.443 621 K N -1.276 119.092 120.400 -0.054 0.000 2.044 621 K HA -0.296 4.039 4.320 0.026 0.000 0.210 621 K C 2.072 178.575 176.600 -0.162 0.000 1.049 621 K CA 2.080 58.349 56.287 -0.030 0.000 0.927 621 K CB -0.344 32.297 32.500 0.233 0.000 0.713 621 K HN 0.658 nan 8.250 nan 0.000 0.443 622 H N 0.338 119.232 119.070 -0.293 0.000 2.326 622 H HA -0.016 4.556 4.556 0.026 0.000 0.301 622 H C 1.962 177.014 175.328 -0.460 0.000 1.081 622 H CA 1.735 57.417 56.048 -0.611 0.000 1.334 622 H CB 0.090 29.524 29.762 -0.546 0.000 1.385 622 H HN 0.235 nan 8.280 nan 0.000 0.504 623 Q N 0.218 119.761 119.800 -0.428 0.000 2.224 623 Q HA -0.098 4.258 4.340 0.026 0.000 0.203 623 Q C 1.537 176.991 176.000 -0.909 0.000 0.970 623 Q CA 1.184 56.649 55.803 -0.563 0.000 0.865 623 Q CB 0.037 28.607 28.738 -0.280 0.000 0.922 623 Q HN 0.700 nan 8.270 nan 0.000 0.445 624 Q N 0.125 119.349 119.800 -0.960 0.000 2.280 624 Q HA 0.077 4.432 4.340 0.026 0.000 0.202 624 Q C -0.079 175.374 176.000 -0.913 0.000 0.903 624 Q CA -0.227 54.865 55.803 -1.186 0.000 0.948 624 Q CB 0.385 28.479 28.738 -1.073 0.000 1.058 624 Q HN 0.377 nan 8.270 nan 0.000 0.493 625 Q N -0.555 118.864 119.800 -0.635 0.000 2.414 625 Q HA -0.055 4.301 4.340 0.026 0.000 0.288 625 Q C -0.142 175.514 176.000 -0.574 0.000 1.086 625 Q CA 0.465 56.032 55.803 -0.395 0.000 0.943 625 Q CB 0.445 29.032 28.738 -0.252 0.000 1.282 625 Q HN 0.294 nan 8.270 nan 0.000 0.438 626 F N 0.015 119.739 119.950 -0.377 0.000 2.695 626 F HA 0.241 4.783 4.527 0.025 0.000 0.303 626 F C -0.225 175.020 175.800 -0.927 0.000 1.091 626 F CA -0.084 57.456 58.000 -0.768 0.000 1.300 626 F CB 0.547 38.749 39.000 -1.331 0.000 1.071 626 F HN 0.281 nan 8.300 nan 0.000 0.578 627 F N 0.551 120.411 119.950 -0.150 0.000 2.507 627 F HA 0.496 5.039 4.527 0.027 0.000 0.325 627 F C -0.010 175.444 175.800 -0.576 0.000 1.116 627 F CA -1.087 56.720 58.000 -0.323 0.000 0.930 627 F CB 1.249 40.077 39.000 -0.287 0.000 1.146 627 F HN -0.308 nan 8.300 nan 0.000 0.447 628 Q N 3.056 122.608 119.800 -0.413 0.000 2.266 628 Q HA 0.588 4.944 4.340 0.026 0.000 0.261 628 Q C -1.315 174.425 176.000 -0.434 0.000 0.985 628 Q CA -0.614 54.989 55.803 -0.334 0.000 0.873 628 Q CB 2.749 31.408 28.738 -0.132 0.000 1.306 628 Q HN 0.560 nan 8.270 nan 0.000 0.447 629 F N 0.205 120.285 119.950 0.218 0.000 2.576 629 F HA 0.587 5.130 4.527 0.027 0.000 0.313 629 F C 0.322 176.361 175.800 0.399 0.000 1.078 629 F CA -0.840 57.363 58.000 0.338 0.000 0.921 629 F CB 2.080 41.412 39.000 0.553 0.000 1.232 629 F HN 0.146 nan 8.300 nan 0.000 0.459 630 R N 1.522 122.316 120.500 0.490 0.000 2.771 630 R HA 0.749 5.104 4.340 0.026 0.000 0.274 630 R C -2.044 174.296 176.300 0.067 0.000 0.987 630 R CA -1.309 55.000 56.100 0.349 0.000 0.908 630 R CB 2.991 33.403 30.300 0.186 0.000 1.213 630 R HN 0.527 nan 8.270 nan 0.000 0.468 631 L N 0.486 121.623 121.223 -0.143 0.000 2.362 631 L HA 0.512 4.868 4.340 0.026 0.000 0.275 631 L C -1.065 175.657 176.870 -0.247 0.000 0.998 631 L CA -0.009 54.542 54.840 -0.482 0.000 0.820 631 L CB 2.134 43.492 42.059 -1.168 0.000 1.270 631 L HN 0.580 nan 8.230 nan 0.000 0.415 632 S N 3.749 119.328 115.700 -0.202 0.000 2.779 632 S HA 0.731 5.217 4.470 0.026 0.000 0.293 632 S C 0.222 174.738 174.600 -0.140 0.000 1.150 632 S CA 0.317 58.440 58.200 -0.128 0.000 1.057 632 S CB 0.372 63.528 63.200 -0.074 0.000 1.021 632 S HN 1.560 nan 8.310 nan 0.000 0.485 633 G N 4.671 113.391 108.800 -0.133 0.000 2.543 633 G HA2 -0.293 3.683 3.960 0.026 0.000 0.286 633 G HA3 -0.293 3.683 3.960 0.026 0.000 0.286 633 G C 0.009 174.803 174.900 -0.175 0.000 1.153 633 G CA 0.765 45.788 45.100 -0.128 0.000 0.968 633 G HN 1.199 nan 8.290 nan 0.000 0.544 634 Q N 0.236 119.931 119.800 -0.176 0.000 2.157 634 Q HA 0.510 4.865 4.340 0.026 0.000 0.229 634 Q C 0.302 176.164 176.000 -0.230 0.000 0.827 634 Q CA 0.578 56.249 55.803 -0.220 0.000 1.055 634 Q CB -0.273 28.347 28.738 -0.197 0.000 1.157 634 Q HN 0.527 nan 8.270 nan 0.000 0.482 635 T N 1.603 116.035 114.554 -0.203 0.000 2.756 635 T HA 0.595 4.961 4.350 0.026 0.000 0.290 635 T C -0.283 174.303 174.700 -0.190 0.000 0.985 635 T CA -0.383 61.617 62.100 -0.165 0.000 0.955 635 T CB 0.544 69.347 68.868 -0.107 0.000 0.930 635 T HN 0.240 nan 8.240 nan 0.000 0.451 636 I N 3.128 123.596 120.570 -0.171 0.000 2.331 636 I HA 0.290 4.475 4.170 0.026 0.000 0.292 636 I C 0.628 176.753 176.117 0.014 0.000 0.998 636 I CA -0.444 60.779 61.300 -0.128 0.000 1.267 636 I CB 1.019 38.965 38.000 -0.089 0.000 1.386 636 I HN 0.534 nan 8.210 nan 0.000 0.476 637 E N 6.548 126.788 120.200 0.067 0.000 2.151 637 E HA 0.467 4.833 4.350 0.026 0.000 0.275 637 E C -1.546 175.165 176.600 0.185 0.000 0.936 637 E CA -0.633 55.827 56.400 0.101 0.000 0.777 637 E CB 1.597 31.341 29.700 0.072 0.000 1.108 637 E HN 0.354 nan 8.360 nan 0.000 0.401 638 V N 4.087 124.093 119.914 0.154 0.000 2.384 638 V HA 0.327 4.463 4.120 0.026 0.000 0.287 638 V C -0.085 176.049 176.094 0.067 0.000 1.020 638 V CA -0.612 61.753 62.300 0.108 0.000 0.850 638 V CB 1.698 33.619 31.823 0.164 0.000 0.987 638 V HN 0.708 nan 8.190 nan 0.000 0.436 639 T N 3.259 117.814 114.554 0.002 0.000 2.807 639 T HA 0.366 4.732 4.350 0.026 0.000 0.279 639 T C -0.056 174.656 174.700 0.020 0.000 0.993 639 T CA -0.242 61.866 62.100 0.013 0.000 0.970 639 T CB 1.598 70.449 68.868 -0.028 0.000 0.950 639 T HN 0.687 nan 8.240 nan 0.000 0.441 640 S N 1.755 117.475 115.700 0.033 0.000 2.525 640 S HA 0.225 4.710 4.470 0.026 0.000 0.278 640 S C 0.798 175.274 174.600 -0.207 0.000 1.234 640 S CA -0.564 57.581 58.200 -0.090 0.000 1.058 640 S CB 0.605 63.823 63.200 0.030 0.000 0.983 640 S HN 0.720 nan 8.310 nan 0.000 0.495 641 E N 2.900 122.870 120.200 -0.383 0.000 2.463 641 E HA 0.087 4.453 4.350 0.026 0.000 0.193 641 E C -0.695 175.717 176.600 -0.314 0.000 1.041 641 E CA -0.088 56.121 56.400 -0.318 0.000 0.879 641 E CB 0.260 29.760 29.700 -0.333 0.000 0.997 641 E HN 0.688 nan 8.360 nan 0.000 0.478 642 Y N 0.373 120.541 120.300 -0.221 0.000 2.397 642 Y HA -0.007 4.558 4.550 0.026 0.000 0.335 642 Y C 1.435 177.160 175.900 -0.292 0.000 1.213 642 Y CA 0.035 58.006 58.100 -0.216 0.000 1.391 642 Y CB 0.769 39.089 38.460 -0.234 0.000 1.293 642 Y HN -0.042 nan 8.280 nan 0.000 0.557 643 L N 0.981 122.027 121.223 -0.296 0.000 2.470 643 L HA 0.067 4.423 4.340 0.026 0.000 0.219 643 L C 0.717 177.149 176.870 -0.730 0.000 1.071 643 L CA 0.574 54.994 54.840 -0.699 0.000 0.850 643 L CB 0.058 41.310 42.059 -1.345 0.000 1.040 643 L HN 0.649 nan 8.230 nan 0.000 0.475 644 F N -0.398 119.560 119.950 0.013 0.000 2.699 644 F HA 0.207 4.749 4.527 0.024 0.000 0.295 644 F C 1.297 177.077 175.800 -0.033 0.000 1.052 644 F CA -0.766 57.218 58.000 -0.027 0.000 1.239 644 F CB 0.347 39.316 39.000 -0.052 0.000 1.018 644 F HN -0.134 nan 8.300 nan 0.000 0.627 645 R N 0.230 120.770 120.500 0.067 0.000 2.573 645 R HA 0.391 4.747 4.340 0.026 0.000 0.272 645 R C -0.571 175.716 176.300 -0.023 0.000 1.009 645 R CA -0.616 55.481 56.100 -0.004 0.000 1.059 645 R CB 0.707 30.899 30.300 -0.179 0.000 1.112 645 R HN 0.088 nan 8.270 nan 0.000 0.517 646 H N 0.348 119.414 119.070 -0.006 0.000 2.508 646 H HA 0.054 4.625 4.556 0.026 0.000 0.358 646 H C 0.154 175.509 175.328 0.046 0.000 1.212 646 H CA 0.190 56.264 56.048 0.043 0.000 1.356 646 H CB 1.654 31.444 29.762 0.047 0.000 1.525 646 H HN 0.765 nan 8.280 nan 0.000 0.578 647 S N 1.019 116.863 115.700 0.241 0.000 4.175 647 S HA -0.056 4.430 4.470 0.026 0.000 0.193 647 S C 0.340 175.042 174.600 0.170 0.000 1.373 647 S CA -0.626 57.728 58.200 0.256 0.000 0.908 647 S CB -0.772 62.634 63.200 0.344 0.000 1.547 647 S HN 0.581 nan 8.310 nan 0.000 0.440 648 D N 0.804 121.277 120.400 0.121 0.000 2.336 648 D HA 0.065 4.721 4.640 0.026 0.000 0.228 648 D C 0.275 176.612 176.300 0.061 0.000 1.120 648 D CA -0.299 53.752 54.000 0.084 0.000 0.839 648 D CB -0.366 40.473 40.800 0.065 0.000 0.932 648 D HN 0.506 nan 8.370 nan 0.000 0.509 649 N N 0.049 118.794 118.700 0.075 0.000 2.620 649 N HA 0.156 4.911 4.740 0.026 0.000 0.277 649 N C -1.590 173.972 175.510 0.086 0.000 1.726 649 N CA -0.187 52.901 53.050 0.063 0.000 0.840 649 N CB 0.343 38.857 38.487 0.044 0.000 1.379 649 N HN -0.056 nan 8.380 nan 0.000 0.506 650 E N -0.237 120.008 120.200 0.075 0.000 2.363 650 E HA 0.530 4.896 4.350 0.026 0.000 0.281 650 E C -1.566 175.055 176.600 0.035 0.000 0.953 650 E CA -0.711 55.719 56.400 0.051 0.000 0.778 650 E CB 1.833 31.541 29.700 0.013 0.000 1.220 650 E HN 0.247 nan 8.360 nan 0.000 0.431 651 L N -0.314 120.927 121.223 0.031 0.000 2.376 651 L HA 0.751 5.106 4.340 0.026 0.000 0.258 651 L C -1.454 175.468 176.870 0.086 0.000 1.013 651 L CA -1.083 53.803 54.840 0.077 0.000 0.822 651 L CB 0.947 43.085 42.059 0.132 0.000 1.388 651 L HN 0.503 nan 8.230 nan 0.000 0.413 652 L N 1.838 123.159 121.223 0.163 0.000 2.272 652 L HA 0.618 4.973 4.340 0.026 0.000 0.289 652 L C -0.951 176.138 176.870 0.364 0.000 1.032 652 L CA 0.151 55.122 54.840 0.219 0.000 0.810 652 L CB 0.420 42.620 42.059 0.236 0.000 1.205 652 L HN 0.583 nan 8.230 nan 0.000 0.422 653 H N 5.256 124.408 119.070 0.137 0.000 2.488 653 H HA 0.473 5.044 4.556 0.026 0.000 0.322 653 H C -1.010 174.409 175.328 0.152 0.000 1.078 653 H CA -0.686 55.402 56.048 0.066 0.000 1.260 653 H CB 0.698 30.453 29.762 -0.012 0.000 1.425 653 H HN 0.622 nan 8.280 nan 0.000 0.471 654 W N 3.784 125.175 121.300 0.151 0.000 2.844 654 W HA 0.595 5.270 4.660 0.026 0.000 0.340 654 W C -1.515 175.051 176.519 0.079 0.000 1.093 654 W CA -1.352 56.060 57.345 0.112 0.000 1.212 654 W CB 1.398 30.909 29.460 0.085 0.000 1.422 654 W HN 0.516 nan 8.180 nan 0.000 0.515 655 M N 3.623 123.404 119.600 0.303 0.000 2.378 655 M HA 0.618 5.114 4.480 0.026 0.000 0.289 655 M C -2.558 173.926 176.300 0.307 0.000 1.136 655 M CA -0.888 54.488 55.300 0.126 0.000 0.917 655 M CB 1.839 34.439 32.600 -0.000 0.000 1.669 655 M HN 0.183 nan 8.290 nan 0.000 0.461 656 V N 4.016 124.105 119.914 0.291 0.000 2.495 656 V HA 1.021 5.156 4.120 0.026 0.000 0.298 656 V C -0.372 175.830 176.094 0.181 0.000 1.031 656 V CA -0.156 62.315 62.300 0.284 0.000 0.871 656 V CB 1.175 33.187 31.823 0.316 0.000 0.988 656 V HN 1.123 nan 8.190 nan 0.000 0.432 657 A N 4.416 127.351 122.820 0.192 0.000 2.498 657 A HA 0.900 5.236 4.320 0.026 0.000 0.298 657 A C -1.480 176.216 177.584 0.186 0.000 1.075 657 A CA -0.636 51.479 52.037 0.129 0.000 0.714 657 A CB 1.775 20.810 19.000 0.059 0.000 1.299 657 A HN 0.878 nan 8.150 nan 0.000 0.407 658 L N 1.291 122.594 121.223 0.133 0.000 2.280 658 L HA 0.544 4.899 4.340 0.026 0.000 0.287 658 L C -0.550 176.414 176.870 0.156 0.000 1.023 658 L CA 0.230 55.163 54.840 0.156 0.000 0.819 658 L CB 0.438 42.557 42.059 0.100 0.000 1.212 658 L HN 0.755 nan 8.230 nan 0.000 0.420 659 D N 4.623 125.181 120.400 0.263 0.000 2.702 659 D HA -0.221 4.434 4.640 0.026 0.000 0.233 659 D C 1.167 177.507 176.300 0.066 0.000 1.164 659 D CA 1.491 55.634 54.000 0.239 0.000 0.638 659 D CB -1.151 39.761 40.800 0.186 0.000 1.041 659 D HN 1.206 nan 8.370 nan 0.000 0.422 660 G N -0.843 107.955 108.800 -0.004 0.000 2.225 660 G HA2 -0.375 3.600 3.960 0.026 0.000 0.254 660 G HA3 -0.375 3.600 3.960 0.026 0.000 0.254 660 G C 0.284 175.099 174.900 -0.142 0.000 0.988 660 G CA 0.524 45.505 45.100 -0.198 0.000 0.625 660 G HN 0.482 nan 8.290 nan 0.000 0.527 661 K N 1.901 122.271 120.400 -0.051 0.000 2.262 661 K HA 0.436 4.771 4.320 0.026 0.000 0.282 661 K C -2.607 173.981 176.600 -0.020 0.000 1.066 661 K CA -1.825 54.438 56.287 -0.041 0.000 0.901 661 K CB 1.532 34.028 32.500 -0.007 0.000 1.089 661 K HN 0.067 nan 8.250 nan 0.000 0.476 662 P HA -0.030 nan 4.420 nan 0.000 0.267 662 P C 0.072 177.368 177.300 -0.006 0.000 1.209 662 P CA -0.075 63.006 63.100 -0.032 0.000 0.763 662 P CB 0.689 32.349 31.700 -0.067 0.000 0.816 663 L N 1.958 123.196 121.223 0.026 0.000 2.467 663 L HA 0.469 4.824 4.340 0.026 0.000 0.213 663 L C 0.735 177.632 176.870 0.044 0.000 1.053 663 L CA 0.771 55.637 54.840 0.043 0.000 0.847 663 L CB 0.057 42.163 42.059 0.079 0.000 1.075 663 L HN 0.439 nan 8.230 nan 0.000 0.479 664 A N -1.040 121.806 122.820 0.044 0.000 2.544 664 A HA 0.585 4.920 4.320 0.026 0.000 0.291 664 A C -1.030 176.439 177.584 -0.192 0.000 1.055 664 A CA 0.249 52.289 52.037 0.005 0.000 0.651 664 A CB 1.224 20.344 19.000 0.200 0.000 1.296 664 A HN 0.145 nan 8.150 nan 0.000 0.431 665 S N -1.077 114.252 115.700 -0.618 0.000 2.611 665 S HA 0.904 5.390 4.470 0.026 0.000 0.270 665 S C -0.297 173.345 174.600 -1.598 0.000 1.131 665 S CA 0.064 57.443 58.200 -1.369 0.000 0.826 665 S CB 0.807 63.596 63.200 -0.685 0.000 1.095 665 S HN 2.660 nan 8.310 nan 0.000 0.461 666 G N -0.185 107.338 108.800 -2.127 0.000 2.606 666 G HA2 0.672 4.647 3.960 0.026 0.000 0.300 666 G HA3 0.672 4.647 3.960 0.026 0.000 0.300 666 G C -2.168 172.344 174.900 -0.647 0.000 1.360 666 G CA -0.691 43.819 45.100 -0.984 0.000 0.783 666 G HN 0.801 nan 8.290 nan 0.000 0.484 667 E N -1.393 118.734 120.200 -0.121 0.000 2.340 667 E HA 0.629 4.994 4.350 0.026 0.000 0.273 667 E C -1.490 175.234 176.600 0.206 0.000 0.891 667 E CA -0.690 55.737 56.400 0.045 0.000 0.757 667 E CB 3.202 32.858 29.700 -0.074 0.000 1.231 667 E HN 0.301 nan 8.360 nan 0.000 0.439 668 V N 3.308 123.368 119.914 0.244 0.000 2.733 668 V HA 0.361 4.496 4.120 0.026 0.000 0.306 668 V C -2.495 173.692 176.094 0.154 0.000 1.084 668 V CA -1.941 60.473 62.300 0.191 0.000 0.905 668 V CB 2.046 33.998 31.823 0.215 0.000 1.010 668 V HN 0.581 nan 8.190 nan 0.000 0.424 669 P HA 0.275 nan 4.420 nan 0.000 0.268 669 P C -0.856 176.499 177.300 0.091 0.000 1.205 669 P CA 0.029 63.187 63.100 0.097 0.000 0.771 669 P CB 0.561 32.309 31.700 0.079 0.000 0.858 670 L N 3.145 124.413 121.223 0.075 0.000 2.295 670 L HA 0.401 4.756 4.340 0.026 0.000 0.285 670 L C 0.282 177.208 176.870 0.093 0.000 1.035 670 L CA -0.155 54.724 54.840 0.065 0.000 0.806 670 L CB 1.225 43.277 42.059 -0.013 0.000 1.214 670 L HN 0.302 nan 8.230 nan 0.000 0.426 671 D N 3.392 123.861 120.400 0.115 0.000 2.363 671 D HA 0.364 5.019 4.640 0.026 0.000 0.258 671 D C -1.339 175.071 176.300 0.183 0.000 1.259 671 D CA -0.162 53.930 54.000 0.153 0.000 0.921 671 D CB 1.188 42.060 40.800 0.121 0.000 1.201 671 D HN 0.058 nan 8.370 nan 0.000 0.524 672 V N 1.856 121.895 119.914 0.207 0.000 2.487 672 V HA 0.827 4.963 4.120 0.026 0.000 0.298 672 V C 0.845 176.940 176.094 0.001 0.000 1.028 672 V CA -1.160 61.233 62.300 0.155 0.000 0.860 672 V CB 1.193 33.148 31.823 0.220 0.000 0.991 672 V HN 0.584 nan 8.190 nan 0.000 0.427 673 A N 6.909 129.633 122.820 -0.161 0.000 2.327 673 A HA 0.698 5.033 4.320 0.026 0.000 0.255 673 A C -2.281 175.105 177.584 -0.331 0.000 1.099 673 A CA -1.387 50.225 52.037 -0.708 0.000 0.801 673 A CB -0.186 18.582 19.000 -0.387 0.000 1.062 673 A HN 0.671 nan 8.150 nan 0.000 0.496 674 P HA 0.056 nan 4.420 nan 0.000 0.263 674 P C -0.544 176.685 177.300 -0.118 0.000 1.195 674 P CA 0.588 63.602 63.100 -0.143 0.000 0.762 674 P CB 0.812 32.434 31.700 -0.129 0.000 0.799 675 Q N -0.870 118.872 119.800 -0.097 0.000 2.324 675 Q HA -0.145 4.210 4.340 0.026 0.000 0.200 675 Q C 0.747 176.715 176.000 -0.053 0.000 0.645 675 Q CA 1.861 57.613 55.803 -0.085 0.000 1.377 675 Q CB -2.511 26.175 28.738 -0.087 0.000 1.486 675 Q HN 0.748 nan 8.270 nan 0.000 0.796 676 G N 0.136 108.912 108.800 -0.041 0.000 2.537 676 G HA2 0.580 4.555 3.960 0.026 0.000 0.297 676 G HA3 0.580 4.555 3.960 0.026 0.000 0.297 676 G C -0.228 174.685 174.900 0.021 0.000 1.310 676 G CA -0.541 44.553 45.100 -0.010 0.000 1.027 676 G HN -0.028 nan 8.290 nan 0.000 0.505 677 K N -0.699 119.722 120.400 0.035 0.000 2.340 677 K HA 0.485 4.821 4.320 0.026 0.000 0.244 677 K C -0.959 175.680 176.600 0.065 0.000 0.973 677 K CA -0.634 55.684 56.287 0.050 0.000 0.828 677 K CB 2.530 35.053 32.500 0.037 0.000 1.226 677 K HN 0.528 nan 8.250 nan 0.000 0.437 678 Q N 1.978 121.824 119.800 0.076 0.000 2.331 678 Q HA 0.422 4.778 4.340 0.026 0.000 0.272 678 Q C -1.706 174.334 176.000 0.067 0.000 1.062 678 Q CA -0.652 55.197 55.803 0.077 0.000 0.806 678 Q CB 1.614 30.408 28.738 0.094 0.000 1.312 678 Q HN 0.507 nan 8.270 nan 0.000 0.431 679 L N 4.732 125.984 121.223 0.048 0.000 2.307 679 L HA 0.582 4.937 4.340 0.026 0.000 0.284 679 L C -0.674 176.208 176.870 0.019 0.000 1.023 679 L CA -0.667 54.190 54.840 0.028 0.000 0.810 679 L CB 1.479 43.544 42.059 0.011 0.000 1.231 679 L HN 0.603 nan 8.230 nan 0.000 0.423 680 I N 2.912 123.483 120.570 0.002 0.000 2.436 680 I HA 0.274 4.459 4.170 0.026 0.000 0.289 680 I C -0.224 175.844 176.117 -0.082 0.000 1.010 680 I CA -0.361 60.928 61.300 -0.018 0.000 1.098 680 I CB 2.191 40.193 38.000 0.004 0.000 1.266 680 I HN 0.568 nan 8.210 nan 0.000 0.434 681 E N 6.604 126.752 120.200 -0.086 0.000 2.156 681 E HA 0.467 4.832 4.350 0.026 0.000 0.279 681 E C -1.004 175.473 176.600 -0.205 0.000 0.965 681 E CA -0.708 55.614 56.400 -0.131 0.000 0.789 681 E CB 1.481 31.128 29.700 -0.088 0.000 1.098 681 E HN 0.453 nan 8.360 nan 0.000 0.397 682 L N 4.892 125.933 121.223 -0.304 0.000 2.436 682 L HA 0.316 4.671 4.340 0.026 0.000 0.265 682 L C -1.907 174.796 176.870 -0.278 0.000 1.168 682 L CA -1.919 52.647 54.840 -0.456 0.000 0.815 682 L CB -0.079 41.575 42.059 -0.675 0.000 1.109 682 L HN 0.352 nan 8.230 nan 0.000 0.462 683 P HA -0.019 nan 4.420 nan 0.000 0.271 683 P C -0.670 176.576 177.300 -0.089 0.000 1.233 683 P CA -0.405 62.638 63.100 -0.095 0.000 0.789 683 P CB 0.345 32.059 31.700 0.023 0.000 0.951 684 E N 1.608 121.787 120.200 -0.035 0.000 2.415 684 E HA 0.050 4.415 4.350 0.026 0.000 0.263 684 E C -1.117 175.480 176.600 -0.003 0.000 0.995 684 E CA -0.111 56.273 56.400 -0.027 0.000 0.915 684 E CB -0.045 29.649 29.700 -0.010 0.000 0.951 684 E HN 0.253 nan 8.360 nan 0.000 0.449 685 L N 6.706 127.922 121.223 -0.012 0.000 2.276 685 L HA 0.399 4.754 4.340 0.026 0.000 0.286 685 L C -1.906 174.976 176.870 0.020 0.000 1.024 685 L CA -2.127 52.725 54.840 0.021 0.000 0.826 685 L CB 0.979 43.060 42.059 0.037 0.000 1.211 685 L HN 0.519 nan 8.230 nan 0.000 0.422 686 P HA -0.047 nan 4.420 nan 0.000 0.269 686 P C -0.707 176.609 177.300 0.027 0.000 1.205 686 P CA -0.232 62.885 63.100 0.028 0.000 0.780 686 P CB 0.655 32.376 31.700 0.036 0.000 0.858 687 Q N 1.999 121.811 119.800 0.020 0.000 2.314 687 Q HA 0.276 4.632 4.340 0.026 0.000 0.258 687 Q C -1.753 174.262 176.000 0.025 0.000 0.954 687 Q CA -1.216 54.599 55.803 0.020 0.000 0.890 687 Q CB -0.207 28.539 28.738 0.013 0.000 1.210 687 Q HN 0.382 nan 8.270 nan 0.000 0.410 688 P HA -0.033 nan 4.420 nan 0.000 0.269 688 P C -0.239 177.078 177.300 0.028 0.000 1.209 688 P CA 0.063 63.183 63.100 0.034 0.000 0.776 688 P CB 0.817 32.541 31.700 0.040 0.000 0.876 689 E N 0.606 120.823 120.200 0.028 0.000 2.049 689 E HA -0.127 4.239 4.350 0.026 0.000 0.198 689 E C 0.837 177.452 176.600 0.025 0.000 1.007 689 E CA 1.628 58.042 56.400 0.024 0.000 0.809 689 E CB -0.123 29.590 29.700 0.022 0.000 0.749 689 E HN 0.702 nan 8.360 nan 0.000 0.450 690 S N -0.695 115.023 115.700 0.030 0.000 2.911 690 S HA 0.671 5.156 4.470 0.026 0.000 0.319 690 S C -0.348 174.274 174.600 0.037 0.000 1.154 690 S CA -0.605 57.614 58.200 0.032 0.000 0.857 690 S CB 1.401 64.622 63.200 0.034 0.000 1.279 690 S HN 0.220 nan 8.310 nan 0.000 0.593 691 A N -0.344 122.499 122.820 0.039 0.000 2.448 691 A HA 0.722 5.058 4.320 0.026 0.000 0.239 691 A C 0.945 178.562 177.584 0.056 0.000 1.080 691 A CA 0.469 52.532 52.037 0.043 0.000 0.779 691 A CB -0.893 18.133 19.000 0.043 0.000 1.026 691 A HN 2.427 nan 8.150 nan 0.000 0.499 692 G N -0.763 108.072 108.800 0.058 0.000 2.359 692 G HA2 0.427 4.402 3.960 0.026 0.000 0.303 692 G HA3 0.427 4.402 3.960 0.026 0.000 0.303 692 G C -1.129 173.811 174.900 0.068 0.000 1.293 692 G CA -0.131 45.018 45.100 0.081 0.000 0.964 692 G HN 1.152 nan 8.290 nan 0.000 0.531 693 Q N -0.178 119.684 119.800 0.103 0.000 2.307 693 Q HA 0.733 5.088 4.340 0.026 0.000 0.262 693 Q C -0.247 175.826 176.000 0.122 0.000 0.961 693 Q CA -0.555 55.273 55.803 0.043 0.000 0.882 693 Q CB 1.244 29.994 28.738 0.021 0.000 1.264 693 Q HN 0.581 nan 8.270 nan 0.000 0.446 694 L N 4.031 125.263 121.223 0.016 0.000 2.350 694 L HA 0.478 4.833 4.340 0.026 0.000 0.275 694 L C -0.761 176.131 176.870 0.036 0.000 1.099 694 L CA -0.414 54.482 54.840 0.093 0.000 0.808 694 L CB 0.761 42.850 42.059 0.049 0.000 1.149 694 L HN 0.676 nan 8.230 nan 0.000 0.442 695 W N 3.860 125.226 121.300 0.111 0.000 2.883 695 W HA 0.479 5.154 4.660 0.025 0.000 0.335 695 W C -0.892 175.736 176.519 0.182 0.000 1.083 695 W CA -0.523 56.910 57.345 0.147 0.000 1.233 695 W CB 1.772 31.342 29.460 0.182 0.000 1.412 695 W HN 0.110 nan 8.180 nan 0.000 0.490 696 L N 3.397 124.900 121.223 0.466 0.000 2.282 696 L HA 0.738 5.093 4.340 0.026 0.000 0.288 696 L C -0.350 176.826 176.870 0.511 0.000 1.033 696 L CA 0.143 55.246 54.840 0.438 0.000 0.807 696 L CB 1.207 43.488 42.059 0.369 0.000 1.209 696 L HN 0.315 nan 8.230 nan 0.000 0.423 697 T N 5.331 120.129 114.554 0.406 0.000 2.812 697 T HA 0.663 5.028 4.350 0.026 0.000 0.282 697 T C -0.649 174.237 174.700 0.311 0.000 0.990 697 T CA -0.436 61.857 62.100 0.321 0.000 0.960 697 T CB 1.399 70.395 68.868 0.213 0.000 0.948 697 T HN 0.600 nan 8.240 nan 0.000 0.438 698 V N 1.739 121.809 119.914 0.261 0.000 2.769 698 V HA 0.850 4.986 4.120 0.026 0.000 0.312 698 V C -0.734 175.441 176.094 0.136 0.000 1.061 698 V CA -1.220 61.205 62.300 0.209 0.000 0.931 698 V CB 2.036 33.940 31.823 0.136 0.000 1.010 698 V HN 0.801 nan 8.190 nan 0.000 0.433 699 R N 1.845 122.442 120.500 0.162 0.000 2.673 699 R HA 0.767 5.122 4.340 0.026 0.000 0.281 699 R C -1.597 174.787 176.300 0.141 0.000 0.991 699 R CA -0.738 55.466 56.100 0.174 0.000 0.896 699 R CB 2.682 33.040 30.300 0.097 0.000 1.201 699 R HN 0.704 nan 8.270 nan 0.000 0.457 700 V N 3.508 123.543 119.914 0.201 0.000 2.383 700 V HA 0.344 4.479 4.120 0.026 0.000 0.275 700 V C -0.276 175.848 176.094 0.050 0.000 1.036 700 V CA -0.523 61.847 62.300 0.118 0.000 0.889 700 V CB 1.552 33.453 31.823 0.129 0.000 0.985 700 V HN 0.425 nan 8.190 nan 0.000 0.459 701 V N 5.321 125.199 119.914 -0.060 0.000 2.555 701 V HA 0.397 4.532 4.120 0.026 0.000 0.302 701 V C -0.220 175.868 176.094 -0.010 0.000 1.038 701 V CA -0.745 61.493 62.300 -0.103 0.000 0.887 701 V CB 1.973 33.574 31.823 -0.371 0.000 0.991 701 V HN 0.893 nan 8.190 nan 0.000 0.434 702 Q N 5.987 125.820 119.800 0.055 0.000 2.360 702 Q HA 0.280 4.636 4.340 0.026 0.000 0.254 702 Q C -1.736 174.280 176.000 0.025 0.000 0.975 702 Q CA -1.761 54.084 55.803 0.070 0.000 0.912 702 Q CB 1.928 30.733 28.738 0.111 0.000 1.212 702 Q HN 0.476 nan 8.270 nan 0.000 0.452 703 P HA -0.121 nan 4.420 nan 0.000 0.222 703 P C -0.525 176.777 177.300 0.002 0.000 1.153 703 P CA 0.932 64.043 63.100 0.018 0.000 0.798 703 P CB 0.448 32.168 31.700 0.034 0.000 0.796 704 N N -0.486 118.207 118.700 -0.011 0.000 2.417 704 N HA 0.459 5.214 4.740 0.026 0.000 0.300 704 N C -0.336 175.125 175.510 -0.081 0.000 1.102 704 N CA -0.717 52.312 53.050 -0.034 0.000 0.886 704 N CB 1.148 39.618 38.487 -0.029 0.000 1.203 704 N HN -0.073 nan 8.380 nan 0.000 0.496 705 A N 0.707 123.472 122.820 -0.091 0.000 2.425 705 A HA 0.409 4.744 4.320 0.026 0.000 0.242 705 A C 0.580 178.046 177.584 -0.197 0.000 1.077 705 A CA 0.029 51.976 52.037 -0.151 0.000 0.781 705 A CB -0.039 18.898 19.000 -0.105 0.000 1.020 705 A HN 0.698 nan 8.150 nan 0.000 0.494 706 T N -2.726 111.626 114.554 -0.337 0.000 2.773 706 T HA 0.632 4.998 4.350 0.026 0.000 0.278 706 T C 0.996 175.540 174.700 -0.260 0.000 1.011 706 T CA 0.030 61.914 62.100 -0.360 0.000 1.014 706 T CB 1.158 69.580 68.868 -0.744 0.000 1.293 706 T HN 1.341 nan 8.240 nan 0.000 0.554 707 A N -0.072 122.685 122.820 -0.105 0.000 2.067 707 A HA 0.104 4.439 4.320 0.026 0.000 0.219 707 A C 1.661 179.361 177.584 0.193 0.000 1.158 707 A CA 1.064 53.144 52.037 0.072 0.000 0.661 707 A CB -0.867 18.225 19.000 0.152 0.000 0.801 707 A HN 0.918 nan 8.150 nan 0.000 0.452 708 W N -0.600 120.762 121.300 0.102 0.000 2.870 708 W HA 0.423 5.099 4.660 0.027 0.000 0.358 708 W C -0.219 176.266 176.519 -0.058 0.000 1.043 708 W CA 0.464 57.837 57.345 0.048 0.000 1.692 708 W CB -1.044 28.430 29.460 0.023 0.000 1.100 708 W HN 0.391 nan 8.180 nan 0.000 0.557 709 S N -0.024 115.244 115.700 -0.721 0.000 2.596 709 S HA 0.435 4.921 4.470 0.026 0.000 0.270 709 S C -0.700 173.678 174.600 -0.371 0.000 1.155 709 S CA -0.780 57.030 58.200 -0.650 0.000 0.827 709 S CB 2.749 65.170 63.200 -1.298 0.000 1.130 709 S HN 0.059 nan 8.310 nan 0.000 0.467 710 E N 0.516 120.607 120.200 -0.182 0.000 2.314 710 E HA 0.555 4.920 4.350 0.026 0.000 0.262 710 E C 0.277 176.839 176.600 -0.063 0.000 1.093 710 E CA -0.655 55.693 56.400 -0.085 0.000 0.908 710 E CB 1.395 31.090 29.700 -0.009 0.000 1.091 710 E HN 0.874 nan 8.360 nan 0.000 0.425 711 A N 0.138 122.931 122.820 -0.044 0.000 2.498 711 A HA 0.399 4.734 4.320 0.026 0.000 0.239 711 A C 1.139 178.728 177.584 0.008 0.000 1.068 711 A CA 0.855 52.877 52.037 -0.024 0.000 0.766 711 A CB -0.288 18.702 19.000 -0.016 0.000 1.003 711 A HN 0.766 nan 8.150 nan 0.000 0.497 712 G N 0.399 109.210 108.800 0.018 0.000 2.195 712 G HA2 -0.243 3.732 3.960 0.026 0.000 0.246 712 G HA3 -0.243 3.732 3.960 0.026 0.000 0.246 712 G C 0.288 175.208 174.900 0.032 0.000 0.984 712 G CA 0.655 45.764 45.100 0.016 0.000 0.633 712 G HN 1.719 nan 8.290 nan 0.000 0.525 713 H N 0.782 119.838 119.070 -0.025 0.000 3.001 713 H HA 0.444 5.016 4.556 0.026 0.000 0.334 713 H C 0.627 175.993 175.328 0.063 0.000 1.034 713 H CA 0.510 56.569 56.048 0.018 0.000 1.420 713 H CB 0.179 29.931 29.762 -0.016 0.000 1.405 713 H HN 0.300 nan 8.280 nan 0.000 0.593 714 I N 4.530 124.818 120.570 -0.470 0.000 2.321 714 I HA 0.050 4.235 4.170 0.026 0.000 0.291 714 I C 0.802 176.777 176.117 -0.237 0.000 0.998 714 I CA 0.003 61.166 61.300 -0.228 0.000 1.227 714 I CB 1.512 39.433 38.000 -0.131 0.000 1.368 714 I HN 0.788 nan 8.210 nan 0.000 0.466 715 S N 4.256 120.023 115.700 0.112 0.000 2.512 715 S HA 0.565 5.051 4.470 0.026 0.000 0.216 715 S C 0.415 175.289 174.600 0.456 0.000 1.006 715 S CA -0.054 58.359 58.200 0.355 0.000 0.915 715 S CB 0.586 64.113 63.200 0.545 0.000 0.824 715 S HN 0.688 nan 8.310 nan 0.000 0.497 716 A N 0.511 123.632 122.820 0.501 0.000 2.605 716 A HA 0.661 4.996 4.320 0.026 0.000 0.294 716 A C -1.748 176.216 177.584 0.633 0.000 1.062 716 A CA -0.896 51.434 52.037 0.489 0.000 0.682 716 A CB 0.402 19.733 19.000 0.552 0.000 1.278 716 A HN 0.919 nan 8.150 nan 0.000 0.410 717 W N -0.007 121.478 121.300 0.308 0.000 3.025 717 W HA 0.828 5.504 4.660 0.027 0.000 0.343 717 W C -1.152 175.411 176.519 0.072 0.000 1.246 717 W CA -0.649 56.761 57.345 0.109 0.000 1.178 717 W CB 1.213 30.700 29.460 0.045 0.000 1.463 717 W HN 1.022 nan 8.180 nan 0.000 0.578 718 Q N 0.914 120.750 119.800 0.060 0.000 2.647 718 Q HA 0.430 4.786 4.340 0.026 0.000 0.283 718 Q C -1.637 174.195 176.000 -0.281 0.000 0.943 718 Q CA -0.466 55.208 55.803 -0.215 0.000 0.813 718 Q CB 2.286 30.696 28.738 -0.548 0.000 1.477 718 Q HN 0.644 nan 8.270 nan 0.000 0.393 719 Q N 1.056 120.613 119.800 -0.405 0.000 2.456 719 Q HA 0.672 5.027 4.340 0.026 0.000 0.283 719 Q C -1.173 174.654 176.000 -0.288 0.000 1.084 719 Q CA -0.734 55.024 55.803 -0.075 0.000 0.801 719 Q CB 2.491 31.396 28.738 0.277 0.000 1.434 719 Q HN 0.607 nan 8.270 nan 0.000 0.419 720 W N 0.633 122.088 121.300 0.258 0.000 3.167 720 W HA 0.442 5.117 4.660 0.025 0.000 0.324 720 W C -0.479 175.960 176.519 -0.134 0.000 1.230 720 W CA -0.669 56.725 57.345 0.081 0.000 1.184 720 W CB 1.722 31.196 29.460 0.023 0.000 1.414 720 W HN 0.422 nan 8.180 nan 0.000 0.551 721 R N 1.607 121.963 120.500 -0.239 0.000 2.390 721 R HA 0.455 4.810 4.340 0.026 0.000 0.291 721 R C 0.538 176.700 176.300 -0.230 0.000 1.070 721 R CA -0.191 55.527 56.100 -0.636 0.000 1.014 721 R CB 1.153 31.034 30.300 -0.698 0.000 1.007 721 R HN 0.287 nan 8.270 nan 0.000 0.466 722 L N 1.275 122.378 121.223 -0.201 0.000 2.812 722 L HA 0.496 4.851 4.340 0.026 0.000 0.172 722 L C 0.673 177.473 176.870 -0.117 0.000 1.892 722 L CA -0.908 53.871 54.840 -0.101 0.000 2.525 722 L CB -0.102 41.936 42.059 -0.035 0.000 2.930 722 L HN 0.601 nan 8.230 nan 0.000 0.625 723 A N 0.244 123.019 122.820 -0.074 0.000 2.425 723 A HA 0.231 4.567 4.320 0.026 0.000 0.242 723 A C -0.332 177.211 177.584 -0.068 0.000 1.077 723 A CA 0.135 52.134 52.037 -0.063 0.000 0.781 723 A CB 0.253 19.233 19.000 -0.034 0.000 1.020 723 A HN 0.612 nan 8.150 nan 0.000 0.494 724 E N 0.827 120.992 120.200 -0.059 0.000 2.248 724 E HA 0.336 4.701 4.350 0.026 0.000 0.267 724 E C -1.434 175.157 176.600 -0.017 0.000 0.877 724 E CA -0.694 55.679 56.400 -0.045 0.000 0.759 724 E CB 0.918 30.582 29.700 -0.060 0.000 1.182 724 E HN 0.668 nan 8.360 nan 0.000 0.418 725 N N 4.976 123.678 118.700 0.003 0.000 2.569 725 N HA 0.265 5.020 4.740 0.026 0.000 0.254 725 N C -0.637 174.884 175.510 0.019 0.000 1.004 725 N CA -0.328 52.727 53.050 0.010 0.000 0.904 725 N CB 1.099 39.596 38.487 0.016 0.000 1.165 725 N HN 0.475 nan 8.380 nan 0.000 0.513 726 L N 0.620 121.853 121.223 0.017 0.000 2.461 726 L HA 0.113 4.468 4.340 0.026 0.000 0.272 726 L C 1.328 178.215 176.870 0.030 0.000 1.197 726 L CA 0.119 54.974 54.840 0.026 0.000 0.836 726 L CB 0.458 42.531 42.059 0.023 0.000 1.105 726 L HN 0.336 nan 8.230 nan 0.000 0.477 727 S N 1.208 116.930 115.700 0.038 0.000 2.481 727 S HA 0.249 4.735 4.470 0.026 0.000 0.276 727 S C 0.532 175.153 174.600 0.035 0.000 1.247 727 S CA -0.768 57.456 58.200 0.039 0.000 1.053 727 S CB 0.631 63.859 63.200 0.047 0.000 0.925 727 S HN 0.463 nan 8.310 nan 0.000 0.491 728 V N 2.198 122.129 119.914 0.030 0.000 3.346 728 V HA 0.353 4.488 4.120 0.026 0.000 0.309 728 V C 0.546 176.655 176.094 0.025 0.000 1.457 728 V CA 0.037 62.353 62.300 0.026 0.000 1.069 728 V CB -0.498 31.338 31.823 0.021 0.000 0.944 728 V HN 0.835 nan 8.190 nan 0.000 0.449 729 T N 1.367 115.938 114.554 0.028 0.000 2.771 729 T HA 0.704 5.070 4.350 0.026 0.000 0.291 729 T C -0.054 174.663 174.700 0.027 0.000 0.954 729 T CA -0.562 61.553 62.100 0.026 0.000 1.045 729 T CB 1.127 70.010 68.868 0.026 0.000 0.917 729 T HN 0.462 nan 8.240 nan 0.000 0.484 730 L N 2.852 124.089 121.223 0.024 0.000 2.525 730 L HA 0.407 4.762 4.340 0.026 0.000 0.278 730 L C -2.056 174.828 176.870 0.023 0.000 1.218 730 L CA -1.653 53.201 54.840 0.023 0.000 0.878 730 L CB -1.089 40.982 42.059 0.020 0.000 1.127 730 L HN 0.393 nan 8.230 nan 0.000 0.492 731 P HA 0.257 nan 4.420 nan 0.000 0.279 731 P C -0.511 176.796 177.300 0.012 0.000 1.239 731 P CA -0.442 62.669 63.100 0.018 0.000 0.789 731 P CB 1.125 32.835 31.700 0.017 0.000 0.933 732 A N 2.877 125.704 122.820 0.012 0.000 2.526 732 A HA 0.378 4.714 4.320 0.026 0.000 0.267 732 A C 0.790 178.362 177.584 -0.021 0.000 1.095 732 A CA -0.026 52.018 52.037 0.012 0.000 0.775 732 A CB -0.914 18.102 19.000 0.027 0.000 1.036 732 A HN 0.644 nan 8.150 nan 0.000 0.510 733 A N 4.188 127.003 122.820 -0.008 0.000 2.492 733 A HA 0.482 4.818 4.320 0.026 0.000 0.254 733 A C 0.988 178.533 177.584 -0.065 0.000 1.091 733 A CA 0.068 52.090 52.037 -0.024 0.000 0.768 733 A CB -0.416 18.581 19.000 -0.004 0.000 1.028 733 A HN 1.534 nan 8.150 nan 0.000 0.498 734 S N 2.182 117.819 115.700 -0.105 0.000 3.332 734 S HA -0.139 4.346 4.470 0.026 0.000 0.398 734 S C 0.354 174.894 174.600 -0.101 0.000 1.174 734 S CA 1.233 59.341 58.200 -0.154 0.000 0.953 734 S CB -0.388 62.772 63.200 -0.066 0.000 0.664 734 S HN 0.834 nan 8.310 nan 0.000 0.491 735 H N 0.104 119.188 119.070 0.025 0.000 2.536 735 H HA 0.583 5.155 4.556 0.026 0.000 0.276 735 H C 0.502 175.843 175.328 0.023 0.000 1.019 735 H CA 0.300 56.360 56.048 0.021 0.000 1.159 735 H CB 0.049 29.821 29.762 0.018 0.000 1.373 735 H HN 0.760 nan 8.280 nan 0.000 0.584 736 A N 1.053 123.911 122.820 0.064 0.000 2.608 736 A HA 0.522 4.857 4.320 0.026 0.000 0.292 736 A C -1.597 176.009 177.584 0.038 0.000 1.066 736 A CA -0.868 51.204 52.037 0.058 0.000 0.676 736 A CB 1.105 20.146 19.000 0.068 0.000 1.277 736 A HN 0.266 nan 8.150 nan 0.000 0.413 737 I N 0.781 121.378 120.570 0.045 0.000 2.509 737 I HA 0.782 4.967 4.170 0.026 0.000 0.293 737 I C -2.693 173.460 176.117 0.060 0.000 1.020 737 I CA -2.146 59.177 61.300 0.038 0.000 1.088 737 I CB 2.154 40.170 38.000 0.027 0.000 1.267 737 I HN 0.378 nan 8.210 nan 0.000 0.430 738 P HA 0.134 nan 4.420 nan 0.000 0.272 738 P C -1.422 175.943 177.300 0.108 0.000 1.223 738 P CA 0.094 63.241 63.100 0.078 0.000 0.784 738 P CB 0.309 32.011 31.700 0.002 0.000 0.923 739 H N 2.197 121.295 119.070 0.047 0.000 2.481 739 H HA 0.386 4.957 4.556 0.026 0.000 0.333 739 H C -1.167 174.189 175.328 0.048 0.000 1.066 739 H CA -0.916 55.154 56.048 0.035 0.000 1.209 739 H CB 1.154 30.938 29.762 0.036 0.000 1.445 739 H HN 0.230 nan 8.280 nan 0.000 0.488 740 L N 4.826 125.664 121.223 -0.641 0.000 2.289 740 L HA 0.315 4.671 4.340 0.026 0.000 0.285 740 L C -0.658 175.924 176.870 -0.481 0.000 1.049 740 L CA 0.025 54.624 54.840 -0.400 0.000 0.804 740 L CB 1.503 43.403 42.059 -0.265 0.000 1.195 740 L HN 0.572 nan 8.230 nan 0.000 0.428 741 T N 3.345 117.811 114.554 -0.147 0.000 2.812 741 T HA 0.481 4.846 4.350 0.026 0.000 0.282 741 T C -0.447 174.313 174.700 0.099 0.000 0.990 741 T CA -0.396 61.698 62.100 -0.010 0.000 0.960 741 T CB 1.142 70.055 68.868 0.075 0.000 0.948 741 T HN 0.671 nan 8.240 nan 0.000 0.438 742 T N 3.077 117.701 114.554 0.116 0.000 2.794 742 T HA 0.684 5.050 4.350 0.026 0.000 0.280 742 T C 0.048 174.796 174.700 0.081 0.000 0.987 742 T CA -0.713 61.504 62.100 0.196 0.000 0.993 742 T CB 1.107 70.128 68.868 0.254 0.000 0.939 742 T HN 0.699 nan 8.240 nan 0.000 0.449 743 S N 1.912 117.618 115.700 0.011 0.000 2.661 743 S HA 0.467 4.952 4.470 0.026 0.000 0.285 743 S C 0.760 175.301 174.600 -0.099 0.000 1.138 743 S CA -0.902 57.283 58.200 -0.024 0.000 0.855 743 S CB 1.619 64.814 63.200 -0.008 0.000 1.136 743 S HN 0.472 nan 8.310 nan 0.000 0.484 744 E N 0.544 120.700 120.200 -0.074 0.000 2.085 744 E HA -0.106 4.260 4.350 0.026 0.000 0.194 744 E C 1.591 178.106 176.600 -0.141 0.000 0.994 744 E CA 1.425 57.766 56.400 -0.099 0.000 0.801 744 E CB -0.270 29.396 29.700 -0.056 0.000 0.743 744 E HN 0.603 nan 8.360 nan 0.000 0.453 745 M N 0.351 119.889 119.600 -0.104 0.000 2.334 745 M HA 0.080 4.575 4.480 0.026 0.000 0.266 745 M C 0.004 176.229 176.300 -0.125 0.000 1.082 745 M CA 0.899 56.144 55.300 -0.092 0.000 1.141 745 M CB -0.454 32.126 32.600 -0.034 0.000 1.380 745 M HN -0.129 nan 8.290 nan 0.000 0.440 746 D N -1.969 118.348 120.400 -0.139 0.000 2.583 746 D HA 0.457 5.112 4.640 0.026 0.000 0.248 746 D C -1.440 174.799 176.300 -0.102 0.000 1.209 746 D CA -0.435 53.503 54.000 -0.105 0.000 0.848 746 D CB 1.871 42.697 40.800 0.043 0.000 1.431 746 D HN -0.106 nan 8.370 nan 0.000 0.436 747 F N 0.908 120.929 119.950 0.117 0.000 2.402 747 F HA 0.495 5.038 4.527 0.026 0.000 0.355 747 F C -0.290 175.617 175.800 0.179 0.000 1.123 747 F CA -0.753 57.303 58.000 0.094 0.000 1.021 747 F CB 1.020 40.038 39.000 0.030 0.000 1.160 747 F HN 0.127 nan 8.300 nan 0.000 0.451 748 C N 4.314 123.794 119.300 0.300 0.000 2.493 748 C HA 0.752 5.228 4.460 0.026 0.000 0.326 748 C C -0.385 174.740 174.990 0.225 0.000 1.200 748 C CA -0.733 58.451 59.018 0.276 0.000 1.739 748 C CB 1.284 29.128 27.740 0.173 0.000 2.300 748 C HN 0.523 nan 8.230 nan 0.000 0.500 749 I N 2.062 122.820 120.570 0.313 0.000 2.498 749 I HA 0.489 4.674 4.170 0.026 0.000 0.290 749 I C -0.219 176.146 176.117 0.413 0.000 1.032 749 I CA -0.216 61.254 61.300 0.282 0.000 1.073 749 I CB 1.552 39.690 38.000 0.231 0.000 1.251 749 I HN 0.605 nan 8.210 nan 0.000 0.426 750 E N 4.616 125.002 120.200 0.310 0.000 2.248 750 E HA 0.784 5.149 4.350 0.026 0.000 0.267 750 E C -1.707 175.072 176.600 0.297 0.000 0.877 750 E CA -0.707 55.866 56.400 0.288 0.000 0.759 750 E CB 2.222 32.031 29.700 0.181 0.000 1.182 750 E HN 0.451 nan 8.360 nan 0.000 0.418 751 L N 4.093 125.497 121.223 0.301 0.000 2.611 751 L HA 0.502 4.857 4.340 0.026 0.000 0.263 751 L C 0.286 177.251 176.870 0.159 0.000 0.969 751 L CA 0.636 55.626 54.840 0.249 0.000 0.894 751 L CB 1.089 43.344 42.059 0.326 0.000 1.229 751 L HN 0.700 nan 8.230 nan 0.000 0.416 752 G N 4.401 113.259 108.800 0.098 0.000 2.665 752 G HA2 -0.466 3.510 3.960 0.026 0.000 0.326 752 G HA3 -0.466 3.510 3.960 0.026 0.000 0.326 752 G C 0.736 175.647 174.900 0.020 0.000 1.231 752 G CA 0.760 45.892 45.100 0.053 0.000 0.992 752 G HN 1.141 nan 8.290 nan 0.000 0.549 753 N N 1.700 120.403 118.700 0.004 0.000 2.461 753 N HA 0.081 4.837 4.740 0.026 0.000 0.188 753 N C 0.606 176.072 175.510 -0.073 0.000 1.134 753 N CA 1.136 54.167 53.050 -0.031 0.000 0.878 753 N CB 0.148 38.616 38.487 -0.032 0.000 0.972 753 N HN 0.722 nan 8.380 nan 0.000 0.456 754 K N 0.046 120.395 120.400 -0.085 0.000 2.221 754 K HA 0.471 4.807 4.320 0.026 0.000 0.243 754 K C -0.634 175.808 176.600 -0.264 0.000 0.968 754 K CA -0.773 55.345 56.287 -0.282 0.000 0.846 754 K CB 2.320 34.537 32.500 -0.472 0.000 1.141 754 K HN -0.015 nan 8.250 nan 0.000 0.434 755 R N 1.568 121.827 120.500 -0.402 0.000 2.584 755 R HA 0.308 4.663 4.340 0.026 0.000 0.276 755 R C -1.731 174.496 176.300 -0.122 0.000 1.046 755 R CA -0.582 55.466 56.100 -0.086 0.000 0.906 755 R CB 1.235 31.506 30.300 -0.049 0.000 1.215 755 R HN 0.614 nan 8.270 nan 0.000 0.449 756 W N 3.827 125.219 121.300 0.154 0.000 2.532 756 W HA 0.326 5.002 4.660 0.026 0.000 0.321 756 W C -0.590 175.993 176.519 0.107 0.000 1.037 756 W CA -0.701 56.681 57.345 0.063 0.000 1.220 756 W CB 2.140 31.634 29.460 0.057 0.000 1.361 756 W HN 0.479 nan 8.180 nan 0.000 0.468 757 Q N 2.929 122.841 119.800 0.187 0.000 2.333 757 Q HA 0.395 4.750 4.340 0.026 0.000 0.268 757 Q C -1.764 174.182 176.000 -0.091 0.000 1.007 757 Q CA -0.509 55.404 55.803 0.183 0.000 0.810 757 Q CB 1.183 30.097 28.738 0.293 0.000 1.264 757 Q HN 0.346 nan 8.270 nan 0.000 0.452 758 F N 3.079 123.110 119.950 0.135 0.000 2.388 758 F HA 0.290 4.832 4.527 0.026 0.000 0.358 758 F C 0.607 176.446 175.800 0.065 0.000 1.122 758 F CA -0.842 57.208 58.000 0.082 0.000 1.056 758 F CB 1.120 40.170 39.000 0.083 0.000 1.155 758 F HN 0.495 nan 8.300 nan 0.000 0.461 759 N N 3.593 122.398 118.700 0.175 0.000 2.475 759 N HA 0.066 4.821 4.740 0.026 0.000 0.267 759 N C 0.939 176.480 175.510 0.053 0.000 1.169 759 N CA 0.129 53.238 53.050 0.099 0.000 0.947 759 N CB 0.761 39.311 38.487 0.106 0.000 1.061 759 N HN 0.677 nan 8.380 nan 0.000 0.466 760 R N 2.424 122.887 120.500 -0.062 0.000 2.236 760 R HA -0.033 4.322 4.340 0.026 0.000 0.208 760 R C 0.917 177.168 176.300 -0.080 0.000 1.036 760 R CA 0.832 56.844 56.100 -0.147 0.000 1.001 760 R CB 0.265 30.347 30.300 -0.363 0.000 0.896 760 R HN 0.554 nan 8.270 nan 0.000 0.464 761 Q N -0.468 119.310 119.800 -0.035 0.000 2.339 761 Q HA 0.016 4.371 4.340 0.026 0.000 0.205 761 Q C 1.907 177.917 176.000 0.015 0.000 0.925 761 Q CA 1.287 57.080 55.803 -0.018 0.000 0.898 761 Q CB 0.543 29.280 28.738 -0.001 0.000 1.013 761 Q HN 0.273 nan 8.270 nan 0.000 0.504 762 S N -2.075 113.661 115.700 0.061 0.000 2.483 762 S HA 0.268 4.753 4.470 0.026 0.000 0.221 762 S C 1.586 176.188 174.600 0.003 0.000 1.030 762 S CA 0.403 58.680 58.200 0.129 0.000 0.925 762 S CB 0.337 63.715 63.200 0.297 0.000 0.795 762 S HN 0.381 nan 8.310 nan 0.000 0.511 763 G N 0.540 109.325 108.800 -0.025 0.000 2.148 763 G HA2 -0.227 3.748 3.960 0.026 0.000 0.254 763 G HA3 -0.227 3.748 3.960 0.026 0.000 0.254 763 G C -0.111 174.710 174.900 -0.132 0.000 0.981 763 G CA 0.337 45.387 45.100 -0.083 0.000 0.670 763 G HN 0.530 nan 8.290 nan 0.000 0.528 764 F N -1.262 118.865 119.950 0.296 0.000 2.523 764 F HA 0.671 5.214 4.527 0.026 0.000 0.329 764 F C 0.522 176.354 175.800 0.055 0.000 1.061 764 F CA -1.416 56.713 58.000 0.216 0.000 0.967 764 F CB 1.400 40.480 39.000 0.133 0.000 1.218 764 F HN -0.002 nan 8.300 nan 0.000 0.480 765 L N 2.044 123.321 121.223 0.090 0.000 2.515 765 L HA 0.164 4.519 4.340 0.026 0.000 0.281 765 L C 0.967 177.729 176.870 -0.179 0.000 1.131 765 L CA 0.413 54.970 54.840 -0.471 0.000 0.905 765 L CB 0.078 41.840 42.059 -0.496 0.000 1.246 765 L HN 0.688 nan 8.230 nan 0.000 0.463 766 S N 2.454 118.063 115.700 -0.152 0.000 2.524 766 S HA 0.245 4.730 4.470 0.026 0.000 0.216 766 S C 0.569 175.054 174.600 -0.190 0.000 0.987 766 S CA -0.102 58.045 58.200 -0.088 0.000 0.909 766 S CB 0.078 63.276 63.200 -0.002 0.000 0.781 766 S HN 0.672 nan 8.310 nan 0.000 0.521 767 Q N -0.058 119.573 119.800 -0.283 0.000 2.472 767 Q HA 0.679 5.034 4.340 0.026 0.000 0.281 767 Q C -2.012 173.664 176.000 -0.540 0.000 0.997 767 Q CA -0.304 55.205 55.803 -0.491 0.000 0.828 767 Q CB 1.704 30.031 28.738 -0.685 0.000 1.443 767 Q HN 0.429 nan 8.270 nan 0.000 0.390 768 M N 1.596 120.771 119.600 -0.708 0.000 2.433 768 M HA 0.608 5.104 4.480 0.026 0.000 0.290 768 M C -1.440 174.513 176.300 -0.578 0.000 1.173 768 M CA -0.439 54.524 55.300 -0.561 0.000 0.905 768 M CB 2.292 34.518 32.600 -0.623 0.000 1.692 768 M HN 0.457 nan 8.290 nan 0.000 0.462 769 W N 3.056 124.132 121.300 -0.374 0.000 2.936 769 W HA 0.650 5.326 4.660 0.026 0.000 0.338 769 W C -1.364 174.969 176.519 -0.310 0.000 1.121 769 W CA -0.667 56.518 57.345 -0.266 0.000 1.209 769 W CB 1.756 31.096 29.460 -0.200 0.000 1.420 769 W HN 0.492 nan 8.180 nan 0.000 0.516 770 I N 2.893 123.463 120.570 -0.000 0.000 2.411 770 I HA 0.413 4.598 4.170 0.026 0.000 0.284 770 I C 0.823 176.935 176.117 -0.008 0.000 1.012 770 I CA 0.117 61.379 61.300 -0.064 0.000 1.119 770 I CB 1.050 38.983 38.000 -0.111 0.000 1.261 770 I HN 0.710 nan 8.210 nan 0.000 0.448 771 G N 5.963 114.753 108.800 -0.017 0.000 2.550 771 G HA2 -0.326 3.650 3.960 0.026 0.000 0.277 771 G HA3 -0.326 3.650 3.960 0.026 0.000 0.277 771 G C 0.305 175.221 174.900 0.026 0.000 1.190 771 G CA 0.556 45.648 45.100 -0.012 0.000 0.971 771 G HN 0.807 nan 8.290 nan 0.000 0.559 772 D N 0.634 121.055 120.400 0.035 0.000 2.342 772 D HA 0.195 4.850 4.640 0.026 0.000 0.221 772 D C 0.694 177.101 176.300 0.177 0.000 1.101 772 D CA 0.260 54.310 54.000 0.083 0.000 0.837 772 D CB 0.209 41.024 40.800 0.026 0.000 0.938 772 D HN 0.466 nan 8.370 nan 0.000 0.508 773 K N 1.309 121.787 120.400 0.129 0.000 2.248 773 K HA 0.203 4.539 4.320 0.026 0.000 0.281 773 K C -0.022 176.565 176.600 -0.021 0.000 1.054 773 K CA -0.506 55.815 56.287 0.058 0.000 0.903 773 K CB 1.331 33.826 32.500 -0.009 0.000 1.077 773 K HN -0.033 nan 8.250 nan 0.000 0.474 774 K N 2.336 122.638 120.400 -0.164 0.000 2.382 774 K HA 0.004 4.340 4.320 0.026 0.000 0.275 774 K C 0.984 177.383 176.600 -0.335 0.000 1.009 774 K CA -0.024 55.942 56.287 -0.536 0.000 0.970 774 K CB 0.781 32.982 32.500 -0.497 0.000 0.934 774 K HN 0.423 nan 8.250 nan 0.000 0.479 775 Q N 1.324 120.900 119.800 -0.373 0.000 2.350 775 Q HA 0.175 4.531 4.340 0.026 0.000 0.225 775 Q C 0.047 175.965 176.000 -0.138 0.000 0.878 775 Q CA 0.431 56.142 55.803 -0.155 0.000 0.935 775 Q CB 0.536 29.231 28.738 -0.073 0.000 1.099 775 Q HN 0.497 nan 8.270 nan 0.000 0.527 776 L N 0.836 121.907 121.223 -0.254 0.000 2.329 776 L HA 0.376 4.731 4.340 0.026 0.000 0.279 776 L C 0.988 177.724 176.870 -0.224 0.000 1.014 776 L CA -0.354 54.357 54.840 -0.216 0.000 0.814 776 L CB 1.618 43.541 42.059 -0.227 0.000 1.257 776 L HN -0.067 nan 8.230 nan 0.000 0.424 777 L N 0.836 121.925 121.223 -0.224 0.000 2.357 777 L HA 0.150 4.505 4.340 0.026 0.000 0.211 777 L C 0.696 177.450 176.870 -0.194 0.000 1.075 777 L CA 0.526 55.242 54.840 -0.207 0.000 0.830 777 L CB 0.319 42.243 42.059 -0.225 0.000 0.996 777 L HN 0.750 nan 8.230 nan 0.000 0.467 778 T N -3.265 111.147 114.554 -0.236 0.000 2.900 778 T HA 0.542 4.907 4.350 0.026 0.000 0.295 778 T C -2.822 171.801 174.700 -0.129 0.000 1.044 778 T CA -2.087 59.924 62.100 -0.148 0.000 0.995 778 T CB 2.210 71.010 68.868 -0.114 0.000 1.072 778 T HN -0.319 nan 8.240 nan 0.000 0.473 779 P HA 0.230 nan 4.420 nan 0.000 0.271 779 P C -0.552 176.707 177.300 -0.069 0.000 1.244 779 P CA -0.734 62.327 63.100 -0.066 0.000 0.793 779 P CB 0.304 31.989 31.700 -0.024 0.000 0.984 780 L N 2.441 123.660 121.223 -0.006 0.000 2.325 780 L HA 0.266 4.621 4.340 0.026 0.000 0.284 780 L C 0.142 176.974 176.870 -0.065 0.000 1.089 780 L CA 0.584 55.462 54.840 0.062 0.000 0.836 780 L CB -0.686 41.522 42.059 0.248 0.000 1.184 780 L HN 0.268 nan 8.230 nan 0.000 0.444 781 R N 2.706 123.079 120.500 -0.212 0.000 2.837 781 R HA 0.445 4.801 4.340 0.026 0.000 0.271 781 R C -0.967 175.199 176.300 -0.224 0.000 0.993 781 R CA -1.049 54.752 56.100 -0.498 0.000 0.931 781 R CB 1.287 31.154 30.300 -0.723 0.000 1.206 781 R HN 0.541 nan 8.270 nan 0.000 0.474 782 D N 1.327 121.663 120.400 -0.108 0.000 2.449 782 D HA 0.006 4.662 4.640 0.026 0.000 0.236 782 D C -0.422 175.489 176.300 -0.649 0.000 1.149 782 D CA 0.627 54.420 54.000 -0.345 0.000 0.878 782 D CB 0.616 41.162 40.800 -0.423 0.000 1.198 782 D HN 0.196 nan 8.370 nan 0.000 0.446 783 Q N 1.275 120.498 119.800 -0.961 0.000 2.285 783 Q HA 0.350 4.705 4.340 0.026 0.000 0.269 783 Q C -1.212 174.072 176.000 -1.194 0.000 1.030 783 Q CA -0.589 54.704 55.803 -0.851 0.000 0.788 783 Q CB 0.829 29.291 28.738 -0.459 0.000 1.266 783 Q HN 0.577 nan 8.270 nan 0.000 0.438 784 F N 0.662 120.218 119.950 -0.656 0.000 2.746 784 F HA 0.192 4.735 4.527 0.026 0.000 0.320 784 F C 0.571 175.927 175.800 -0.740 0.000 1.097 784 F CA -0.258 57.239 58.000 -0.838 0.000 1.195 784 F CB 1.593 39.755 39.000 -1.398 0.000 1.056 784 F HN 0.431 nan 8.300 nan 0.000 0.562 785 T N -0.731 113.521 114.554 -0.504 0.000 2.930 785 T HA 0.753 5.119 4.350 0.026 0.000 0.290 785 T C -0.545 173.913 174.700 -0.402 0.000 1.052 785 T CA -0.953 60.782 62.100 -0.609 0.000 1.017 785 T CB 2.680 71.129 68.868 -0.699 0.000 1.137 785 T HN 0.244 nan 8.240 nan 0.000 0.511 786 R N -0.017 120.287 120.500 -0.325 0.000 2.771 786 R HA 0.767 5.122 4.340 0.026 0.000 0.274 786 R C -0.796 175.554 176.300 0.083 0.000 0.987 786 R CA -1.220 54.815 56.100 -0.108 0.000 0.908 786 R CB 1.560 31.809 30.300 -0.085 0.000 1.213 786 R HN 0.812 nan 8.270 nan 0.000 0.468 787 A N 3.446 126.301 122.820 0.059 0.000 2.484 787 A HA 0.283 4.619 4.320 0.026 0.000 0.268 787 A C -2.015 175.631 177.584 0.105 0.000 1.114 787 A CA -1.317 50.756 52.037 0.060 0.000 0.780 787 A CB -0.461 18.522 19.000 -0.029 0.000 1.061 787 A HN 0.542 nan 8.150 nan 0.000 0.505 788 P HA 0.105 nan 4.420 nan 0.000 0.264 788 P C -0.132 177.276 177.300 0.179 0.000 1.193 788 P CA 0.379 63.636 63.100 0.261 0.000 0.763 788 P CB 0.359 32.243 31.700 0.306 0.000 0.810 789 L N 2.513 123.808 121.223 0.119 0.000 2.475 789 L HA 0.131 4.486 4.340 0.026 0.000 0.253 789 L C 1.857 178.730 176.870 0.006 0.000 1.198 789 L CA -0.387 54.456 54.840 0.005 0.000 0.814 789 L CB -0.069 41.927 42.059 -0.106 0.000 1.134 789 L HN 0.300 nan 8.230 nan 0.000 0.478 790 D N 0.307 120.647 120.400 -0.101 0.000 2.149 790 D HA -0.163 4.492 4.640 0.026 0.000 0.198 790 D C 1.644 177.854 176.300 -0.151 0.000 0.990 790 D CA 1.393 55.254 54.000 -0.230 0.000 0.839 790 D CB 0.017 40.603 40.800 -0.356 0.000 0.948 790 D HN 0.465 nan 8.370 nan 0.000 0.460 791 N N 0.957 119.587 118.700 -0.117 0.000 2.309 791 N HA -0.105 4.650 4.740 0.026 0.000 0.182 791 N C 1.149 176.662 175.510 0.007 0.000 1.018 791 N CA 0.674 53.687 53.050 -0.063 0.000 0.876 791 N CB -0.136 38.304 38.487 -0.077 0.000 0.972 791 N HN 0.252 nan 8.380 nan 0.000 0.434 792 D N 0.361 120.781 120.400 0.033 0.000 2.224 792 D HA 0.048 4.703 4.640 0.026 0.000 0.205 792 D C 1.956 178.293 176.300 0.060 0.000 0.965 792 D CA 0.429 54.481 54.000 0.087 0.000 0.852 792 D CB 0.192 41.121 40.800 0.214 0.000 0.947 792 D HN 0.319 nan 8.370 nan 0.000 0.494 793 I N -0.032 120.558 120.570 0.035 0.000 2.628 793 I HA 0.095 4.280 4.170 0.026 0.000 0.255 793 I C 1.757 177.886 176.117 0.020 0.000 1.119 793 I CA 0.555 61.863 61.300 0.013 0.000 1.448 793 I CB -0.221 37.755 38.000 -0.039 0.000 1.133 793 I HN 0.049 nan 8.210 nan 0.000 0.438 794 G N 1.418 110.243 108.800 0.041 0.000 2.574 794 G HA2 -0.342 3.633 3.960 0.026 0.000 0.286 794 G HA3 -0.342 3.633 3.960 0.026 0.000 0.286 794 G C 0.710 175.771 174.900 0.268 0.000 1.212 794 G CA 0.764 45.958 45.100 0.158 0.000 0.979 794 G HN 0.518 nan 8.290 nan 0.000 0.557 795 V N -1.829 118.191 119.914 0.176 0.000 3.649 795 V HA 0.564 4.699 4.120 0.026 0.000 0.275 795 V C 1.400 177.522 176.094 0.047 0.000 1.281 795 V CA 1.375 63.736 62.300 0.101 0.000 1.143 795 V CB -0.026 31.757 31.823 -0.067 0.000 0.892 795 V HN 1.267 nan 8.190 nan 0.000 0.441 796 S N 1.017 116.738 115.700 0.036 0.000 2.558 796 S HA 0.269 4.755 4.470 0.026 0.000 0.288 796 S C -0.101 174.507 174.600 0.013 0.000 1.318 796 S CA 0.200 58.404 58.200 0.007 0.000 1.056 796 S CB 0.266 63.464 63.200 -0.004 0.000 0.853 796 S HN 0.829 nan 8.310 nan 0.000 0.505 797 E N 1.127 121.330 120.200 0.005 0.000 2.390 797 E HA 0.546 4.911 4.350 0.026 0.000 0.277 797 E C 0.529 177.135 176.600 0.011 0.000 0.939 797 E CA -0.365 56.043 56.400 0.012 0.000 0.769 797 E CB 1.454 31.160 29.700 0.010 0.000 1.251 797 E HN 0.608 nan 8.360 nan 0.000 0.450 798 A N 0.956 123.788 122.820 0.020 0.000 1.927 798 A HA -0.245 4.090 4.320 0.026 0.000 0.220 798 A C 1.832 179.424 177.584 0.013 0.000 1.185 798 A CA 2.721 54.770 52.037 0.020 0.000 0.639 798 A CB -1.012 18.005 19.000 0.028 0.000 0.820 798 A HN 0.689 nan 8.150 nan 0.000 0.451 799 T N -4.344 110.217 114.554 0.012 0.000 3.113 799 T HA 0.236 4.602 4.350 0.026 0.000 0.256 799 T C 0.823 175.520 174.700 -0.006 0.000 1.131 799 T CA 0.342 62.445 62.100 0.005 0.000 1.074 799 T CB 0.093 68.965 68.868 0.007 0.000 0.944 799 T HN 0.282 nan 8.240 nan 0.000 0.516 800 R N 1.066 121.560 120.500 -0.009 0.000 3.101 800 R HA 0.280 4.635 4.340 0.026 0.000 0.242 800 R C -1.259 175.029 176.300 -0.021 0.000 1.831 800 R CA -0.512 55.575 56.100 -0.021 0.000 1.321 800 R CB 0.608 30.889 30.300 -0.032 0.000 1.512 800 R HN 0.216 nan 8.270 nan 0.000 0.568 801 I N 1.615 122.174 120.570 -0.017 0.000 2.692 801 I HA -0.045 4.140 4.170 0.026 0.000 0.284 801 I C 0.773 176.871 176.117 -0.031 0.000 1.159 801 I CA 0.208 61.497 61.300 -0.018 0.000 1.423 801 I CB 0.512 38.503 38.000 -0.015 0.000 1.380 801 I HN 0.338 nan 8.210 nan 0.000 0.580 802 D N 8.920 129.299 120.400 -0.036 0.000 2.485 802 D HA 0.275 4.931 4.640 0.026 0.000 0.229 802 D C -1.691 174.567 176.300 -0.070 0.000 1.101 802 D CA -2.214 51.755 54.000 -0.051 0.000 0.906 802 D CB 1.314 42.087 40.800 -0.046 0.000 1.019 802 D HN 0.184 nan 8.370 nan 0.000 0.516 803 P HA -0.131 nan 4.420 nan 0.000 0.226 803 P C 0.847 178.060 177.300 -0.146 0.000 1.146 803 P CA 0.664 63.709 63.100 -0.093 0.000 0.773 803 P CB 0.371 32.025 31.700 -0.076 0.000 0.772 804 N N -0.027 118.582 118.700 -0.152 0.000 2.446 804 N HA 0.040 4.796 4.740 0.026 0.000 0.179 804 N C 0.495 175.828 175.510 -0.294 0.000 1.054 804 N CA 0.110 53.029 53.050 -0.218 0.000 0.905 804 N CB -0.463 37.923 38.487 -0.167 0.000 0.973 804 N HN -0.033 nan 8.380 nan 0.000 0.448 805 A N -0.488 122.204 122.820 -0.214 0.000 2.483 805 A HA 0.066 4.401 4.320 0.026 0.000 0.238 805 A C 0.697 178.086 177.584 -0.324 0.000 1.070 805 A CA -0.290 51.620 52.037 -0.212 0.000 0.770 805 A CB -0.179 18.765 19.000 -0.093 0.000 1.008 805 A HN 0.536 nan 8.150 nan 0.000 0.497 806 W N 1.541 122.594 121.300 -0.412 0.000 2.338 806 W HA -0.157 4.518 4.660 0.025 0.000 0.304 806 W C 2.204 178.173 176.519 -0.916 0.000 1.212 806 W CA 1.633 58.474 57.345 -0.841 0.000 1.264 806 W CB -0.310 28.502 29.460 -1.080 0.000 1.142 806 W HN 0.559 nan 8.180 nan 0.000 0.512 807 V N 0.921 120.713 119.914 -0.203 0.000 2.392 807 V HA -0.272 3.863 4.120 0.026 0.000 0.249 807 V C 2.139 178.310 176.094 0.129 0.000 1.059 807 V CA 2.123 64.497 62.300 0.124 0.000 1.051 807 V CB -0.323 31.616 31.823 0.193 0.000 0.658 807 V HN 0.095 nan 8.190 nan 0.000 0.455 808 E N -0.106 120.082 120.200 -0.021 0.000 2.107 808 E HA -0.169 4.197 4.350 0.026 0.000 0.191 808 E C 2.340 178.911 176.600 -0.047 0.000 0.982 808 E CA 1.047 57.436 56.400 -0.018 0.000 0.809 808 E CB -0.310 29.356 29.700 -0.057 0.000 0.756 808 E HN 0.628 nan 8.360 nan 0.000 0.459 809 R N -0.050 120.342 120.500 -0.180 0.000 2.073 809 R HA -0.115 4.241 4.340 0.026 0.000 0.234 809 R C 2.327 178.575 176.300 -0.086 0.000 1.134 809 R CA 1.305 57.279 56.100 -0.210 0.000 0.952 809 R CB -0.234 29.820 30.300 -0.410 0.000 0.850 809 R HN 0.250 nan 8.270 nan 0.000 0.433 810 W N 1.602 122.867 121.300 -0.060 0.000 2.355 810 W HA -0.098 4.577 4.660 0.026 0.000 0.309 810 W C 2.016 178.488 176.519 -0.078 0.000 1.206 810 W CA 0.733 57.935 57.345 -0.239 0.000 1.284 810 W CB -0.700 28.771 29.460 0.017 0.000 1.145 810 W HN 0.119 nan 8.180 nan 0.000 0.502 811 K N 0.060 120.682 120.400 0.371 0.000 2.032 811 K HA -0.116 4.219 4.320 0.026 0.000 0.209 811 K C 2.278 178.944 176.600 0.110 0.000 1.048 811 K CA 1.903 58.371 56.287 0.302 0.000 0.927 811 K CB -0.640 31.983 32.500 0.204 0.000 0.712 811 K HN -0.012 nan 8.250 nan 0.000 0.441 812 A N 1.106 123.959 122.820 0.055 0.000 1.972 812 A HA -0.091 4.244 4.320 0.026 0.000 0.219 812 A C 2.202 179.783 177.584 -0.006 0.000 1.169 812 A CA 1.786 53.836 52.037 0.020 0.000 0.635 812 A CB -0.536 18.464 19.000 0.001 0.000 0.810 812 A HN 0.353 nan 8.150 nan 0.000 0.446 813 A N -2.038 120.752 122.820 -0.049 0.000 2.167 813 A HA 0.397 4.733 4.320 0.026 0.000 0.214 813 A C 1.832 179.347 177.584 -0.115 0.000 1.151 813 A CA 1.289 53.300 52.037 -0.042 0.000 0.735 813 A CB -0.748 18.184 19.000 -0.112 0.000 0.802 813 A HN 1.857 nan 8.150 nan 0.000 0.467 814 G N -1.812 106.821 108.800 -0.278 0.000 2.157 814 G HA2 -0.285 3.690 3.960 0.026 0.000 0.239 814 G HA3 -0.285 3.690 3.960 0.026 0.000 0.239 814 G C 0.618 175.492 174.900 -0.043 0.000 0.982 814 G CA 0.611 45.307 45.100 -0.673 0.000 0.650 814 G HN 0.714 nan 8.290 nan 0.000 0.527 815 H N -1.293 117.744 119.070 -0.055 0.000 2.390 815 H HA -0.127 4.444 4.556 0.026 0.000 0.298 815 H C 2.205 177.490 175.328 -0.071 0.000 1.106 815 H CA 1.740 57.768 56.048 -0.034 0.000 1.297 815 H CB 0.066 29.756 29.762 -0.120 0.000 1.375 815 H HN 0.609 nan 8.280 nan 0.000 0.509 816 Y N 0.308 120.723 120.300 0.192 0.000 2.475 816 Y HA -0.051 4.514 4.550 0.026 0.000 0.289 816 Y C 2.206 178.184 175.900 0.130 0.000 1.121 816 Y CA 0.516 58.693 58.100 0.128 0.000 1.257 816 Y CB 0.376 38.896 38.460 0.101 0.000 1.026 816 Y HN 0.173 nan 8.280 nan 0.000 0.555 817 Q N -0.183 119.777 119.800 0.266 0.000 2.319 817 Q HA 0.265 4.621 4.340 0.026 0.000 0.209 817 Q C 0.586 176.767 176.000 0.300 0.000 0.884 817 Q CA -0.174 55.780 55.803 0.251 0.000 0.938 817 Q CB 0.495 29.370 28.738 0.228 0.000 1.098 817 Q HN 0.273 nan 8.270 nan 0.000 0.517 818 A N 2.658 125.675 122.820 0.327 0.000 2.511 818 A HA 0.030 4.365 4.320 0.026 0.000 0.242 818 A C 0.128 178.010 177.584 0.496 0.000 1.069 818 A CA 0.012 52.310 52.037 0.435 0.000 0.763 818 A CB 0.110 19.410 19.000 0.501 0.000 1.001 818 A HN 0.216 nan 8.150 nan 0.000 0.498 819 E N 1.946 122.360 120.200 0.356 0.000 2.175 819 E HA 0.571 4.937 4.350 0.026 0.000 0.278 819 E C -0.274 176.307 176.600 -0.031 0.000 0.969 819 E CA -0.602 55.929 56.400 0.218 0.000 0.796 819 E CB 1.457 31.244 29.700 0.146 0.000 1.104 819 E HN 0.635 nan 8.360 nan 0.000 0.395 820 A N 2.506 125.209 122.820 -0.194 0.000 2.401 820 A HA 0.503 4.838 4.320 0.026 0.000 0.259 820 A C -0.114 177.335 177.584 -0.224 0.000 1.103 820 A CA -0.134 51.512 52.037 -0.651 0.000 0.789 820 A CB 0.422 19.191 19.000 -0.386 0.000 1.035 820 A HN 0.725 nan 8.150 nan 0.000 0.491 821 A N 2.448 125.127 122.820 -0.236 0.000 2.303 821 A HA 0.588 4.923 4.320 0.026 0.000 0.320 821 A C -0.464 177.044 177.584 -0.127 0.000 1.192 821 A CA -0.539 51.435 52.037 -0.105 0.000 0.821 821 A CB 0.546 19.500 19.000 -0.077 0.000 1.188 821 A HN 1.276 nan 8.150 nan 0.000 0.492 822 L N 3.153 124.293 121.223 -0.138 0.000 2.331 822 L HA 0.402 4.758 4.340 0.026 0.000 0.278 822 L C 0.363 177.102 176.870 -0.219 0.000 1.106 822 L CA 0.207 54.861 54.840 -0.310 0.000 0.824 822 L CB 0.499 42.392 42.059 -0.277 0.000 1.142 822 L HN 0.759 nan 8.230 nan 0.000 0.443 823 L N 3.228 124.300 121.223 -0.253 0.000 2.537 823 L HA 0.357 4.713 4.340 0.026 0.000 0.224 823 L C 0.348 177.148 176.870 -0.117 0.000 1.065 823 L CA 0.017 54.776 54.840 -0.134 0.000 0.860 823 L CB 0.041 42.052 42.059 -0.080 0.000 1.086 823 L HN 0.746 nan 8.230 nan 0.000 0.482 824 Q N -0.359 119.341 119.800 -0.166 0.000 2.503 824 Q HA 0.302 4.657 4.340 0.026 0.000 0.268 824 Q C -2.099 173.842 176.000 -0.098 0.000 0.982 824 Q CA -0.538 55.207 55.803 -0.096 0.000 0.907 824 Q CB 2.786 31.491 28.738 -0.054 0.000 1.467 824 Q HN 0.051 nan 8.270 nan 0.000 0.394 825 C N 3.394 122.683 119.300 -0.019 0.000 2.892 825 C HA 0.801 5.276 4.460 0.026 0.000 0.360 825 C C -0.840 174.269 174.990 0.199 0.000 1.054 825 C CA 0.555 59.612 59.018 0.065 0.000 1.326 825 C CB 0.429 28.198 27.740 0.048 0.000 1.806 825 C HN 0.817 nan 8.230 nan 0.000 0.490 826 T N 2.344 116.949 114.554 0.084 0.000 2.901 826 T HA 0.906 5.272 4.350 0.026 0.000 0.293 826 T C -0.553 173.883 174.700 -0.439 0.000 1.084 826 T CA -0.290 61.793 62.100 -0.029 0.000 1.008 826 T CB 1.950 70.786 68.868 -0.053 0.000 1.170 826 T HN 1.643 nan 8.240 nan 0.000 0.509 827 A N 1.346 123.718 122.820 -0.747 0.000 2.371 827 A HA 0.763 5.099 4.320 0.026 0.000 0.311 827 A C -1.133 176.182 177.584 -0.449 0.000 1.068 827 A CA -0.713 50.813 52.037 -0.851 0.000 0.744 827 A CB 1.216 19.290 19.000 -1.545 0.000 1.239 827 A HN 0.878 nan 8.150 nan 0.000 0.435 828 D N 0.701 120.904 120.400 -0.329 0.000 2.601 828 D HA 0.551 5.207 4.640 0.026 0.000 0.230 828 D C -0.903 175.288 176.300 -0.181 0.000 1.106 828 D CA -0.009 53.866 54.000 -0.208 0.000 0.873 828 D CB 2.495 43.207 40.800 -0.148 0.000 1.515 828 D HN 0.441 nan 8.370 nan 0.000 0.468 829 T N 1.271 115.746 114.554 -0.132 0.000 2.824 829 T HA 0.570 4.935 4.350 0.026 0.000 0.280 829 T C 0.414 175.068 174.700 -0.078 0.000 0.995 829 T CA -0.526 61.510 62.100 -0.108 0.000 1.009 829 T CB 1.165 69.982 68.868 -0.085 0.000 0.955 829 T HN 0.124 nan 8.240 nan 0.000 0.452 830 L N 0.983 122.164 121.223 -0.070 0.000 2.341 830 L HA 0.654 5.010 4.340 0.026 0.000 0.267 830 L C 1.883 178.732 176.870 -0.035 0.000 1.022 830 L CA -1.352 53.458 54.840 -0.050 0.000 0.844 830 L CB 0.443 42.472 42.059 -0.050 0.000 1.436 830 L HN 0.720 nan 8.230 nan 0.000 0.483 831 A N 0.139 122.944 122.820 -0.025 0.000 2.019 831 A HA -0.145 4.191 4.320 0.026 0.000 0.219 831 A C 0.987 178.563 177.584 -0.012 0.000 1.164 831 A CA 1.932 53.961 52.037 -0.015 0.000 0.644 831 A CB -0.524 18.470 19.000 -0.009 0.000 0.805 831 A HN 0.884 nan 8.150 nan 0.000 0.449 832 D N -2.879 117.509 120.400 -0.020 0.000 2.556 832 D HA 0.541 5.196 4.640 0.026 0.000 0.237 832 D C 0.064 176.345 176.300 -0.032 0.000 1.296 832 D CA 0.689 54.678 54.000 -0.018 0.000 0.807 832 D CB -0.313 40.478 40.800 -0.016 0.000 1.084 832 D HN 0.451 nan 8.370 nan 0.000 0.510 833 A N -0.559 122.232 122.820 -0.048 0.000 2.564 833 A HA 0.643 4.978 4.320 0.026 0.000 0.291 833 A C -1.770 175.754 177.584 -0.099 0.000 1.102 833 A CA -0.683 51.309 52.037 -0.076 0.000 0.660 833 A CB 1.426 20.380 19.000 -0.076 0.000 1.283 833 A HN -0.006 nan 8.150 nan 0.000 0.430 834 V N 0.468 120.297 119.914 -0.140 0.000 2.555 834 V HA 0.640 4.776 4.120 0.026 0.000 0.302 834 V C -1.014 174.963 176.094 -0.194 0.000 1.038 834 V CA -0.446 61.751 62.300 -0.172 0.000 0.887 834 V CB 1.465 33.173 31.823 -0.192 0.000 0.991 834 V HN 0.879 nan 8.190 nan 0.000 0.434 835 L N 6.370 127.469 121.223 -0.206 0.000 2.319 835 L HA 0.628 4.984 4.340 0.026 0.000 0.281 835 L C -0.882 175.825 176.870 -0.272 0.000 1.005 835 L CA 0.054 54.779 54.840 -0.192 0.000 0.828 835 L CB 1.126 43.106 42.059 -0.131 0.000 1.227 835 L HN 0.399 nan 8.230 nan 0.000 0.415 836 I N 4.198 124.590 120.570 -0.297 0.000 2.354 836 I HA 0.412 4.598 4.170 0.026 0.000 0.292 836 I C 0.035 176.087 176.117 -0.109 0.000 0.989 836 I CA -0.189 60.873 61.300 -0.397 0.000 1.188 836 I CB 1.482 38.957 38.000 -0.875 0.000 1.342 836 I HN 0.563 nan 8.210 nan 0.000 0.457 837 T N 5.240 119.738 114.554 -0.092 0.000 2.792 837 T HA 0.620 4.985 4.350 0.026 0.000 0.280 837 T C 0.193 174.918 174.700 0.042 0.000 0.990 837 T CA -0.495 61.608 62.100 0.006 0.000 0.960 837 T CB 1.639 70.486 68.868 -0.035 0.000 0.939 837 T HN 0.771 nan 8.240 nan 0.000 0.439 838 T N -0.300 114.322 114.554 0.114 0.000 2.901 838 T HA 0.901 5.266 4.350 0.026 0.000 0.293 838 T C -1.094 173.646 174.700 0.067 0.000 1.084 838 T CA -1.131 61.016 62.100 0.079 0.000 1.008 838 T CB 2.060 71.055 68.868 0.210 0.000 1.170 838 T HN 0.762 nan 8.240 nan 0.000 0.509 839 A N 1.230 124.012 122.820 -0.064 0.000 2.465 839 A HA 0.716 5.052 4.320 0.026 0.000 0.292 839 A C -1.535 175.929 177.584 -0.198 0.000 1.041 839 A CA -0.778 51.260 52.037 0.002 0.000 0.718 839 A CB 0.794 19.804 19.000 0.016 0.000 1.266 839 A HN 0.985 nan 8.150 nan 0.000 0.403 840 H N 0.206 119.311 119.070 0.059 0.000 2.821 840 H HA 0.798 5.369 4.556 0.026 0.000 0.373 840 H C 0.015 175.322 175.328 -0.034 0.000 1.165 840 H CA 0.274 56.269 56.048 -0.088 0.000 1.154 840 H CB 2.145 31.747 29.762 -0.266 0.000 1.765 840 H HN 1.001 nan 8.280 nan 0.000 0.549 841 A N 1.836 124.632 122.820 -0.040 0.000 2.331 841 A HA 0.414 4.750 4.320 0.026 0.000 0.320 841 A C -1.287 176.228 177.584 -0.114 0.000 1.138 841 A CA -0.694 51.377 52.037 0.057 0.000 0.790 841 A CB 0.985 20.015 19.000 0.050 0.000 1.206 841 A HN 0.576 nan 8.150 nan 0.000 0.470 842 W N 2.138 123.557 121.300 0.198 0.000 2.349 842 W HA 0.424 5.100 4.660 0.026 0.000 0.309 842 W C -0.362 176.189 176.519 0.053 0.000 1.083 842 W CA -0.083 57.375 57.345 0.188 0.000 1.224 842 W CB 1.634 31.261 29.460 0.279 0.000 1.256 842 W HN 0.766 nan 8.180 nan 0.000 0.461 843 Q N 1.746 121.685 119.800 0.231 0.000 2.433 843 Q HA 0.429 4.785 4.340 0.026 0.000 0.279 843 Q C -0.952 175.184 176.000 0.227 0.000 1.105 843 Q CA -0.889 55.009 55.803 0.158 0.000 0.815 843 Q CB 3.663 32.449 28.738 0.081 0.000 1.403 843 Q HN 0.395 nan 8.270 nan 0.000 0.435 844 H N 1.299 120.410 119.070 0.069 0.000 3.017 844 H HA 0.091 4.663 4.556 0.026 0.000 0.340 844 H C -0.943 174.420 175.328 0.058 0.000 1.014 844 H CA -0.134 55.962 56.048 0.082 0.000 1.341 844 H CB 1.138 30.959 29.762 0.098 0.000 1.739 844 H HN 0.838 nan 8.280 nan 0.000 0.506 845 Q N 3.242 122.755 119.800 -0.478 0.000 2.435 845 Q HA -0.255 4.101 4.340 0.026 0.000 0.312 845 Q C 0.973 176.906 176.000 -0.111 0.000 1.333 845 Q CA 1.128 56.744 55.803 -0.311 0.000 0.883 845 Q CB -1.340 27.186 28.738 -0.353 0.000 1.170 845 Q HN 1.179 nan 8.270 nan 0.000 0.443 846 G N -0.649 108.117 108.800 -0.057 0.000 2.225 846 G HA2 -0.373 3.602 3.960 0.026 0.000 0.254 846 G HA3 -0.373 3.602 3.960 0.026 0.000 0.254 846 G C 0.037 174.941 174.900 0.006 0.000 0.988 846 G CA 0.522 45.612 45.100 -0.018 0.000 0.625 846 G HN 0.379 nan 8.290 nan 0.000 0.527 847 K N 1.467 121.880 120.400 0.023 0.000 2.159 847 K HA 0.666 5.002 4.320 0.026 0.000 0.266 847 K C -0.057 176.562 176.600 0.031 0.000 0.975 847 K CA -0.182 56.124 56.287 0.032 0.000 0.865 847 K CB 1.093 33.624 32.500 0.053 0.000 1.087 847 K HN -0.010 nan 8.250 nan 0.000 0.446 848 T N 6.128 120.692 114.554 0.016 0.000 2.723 848 T HA 0.224 4.590 4.350 0.026 0.000 0.297 848 T C 1.033 175.694 174.700 -0.066 0.000 0.925 848 T CA -0.377 61.730 62.100 0.012 0.000 1.030 848 T CB 0.257 69.147 68.868 0.036 0.000 0.905 848 T HN 0.552 nan 8.240 nan 0.000 0.502 849 L N 2.546 123.658 121.223 -0.186 0.000 2.145 849 L HA 0.337 4.692 4.340 0.026 0.000 0.201 849 L C -0.046 176.390 176.870 -0.723 0.000 1.075 849 L CA 0.897 55.370 54.840 -0.610 0.000 0.773 849 L CB 0.040 41.385 42.059 -1.190 0.000 0.936 849 L HN 0.523 nan 8.230 nan 0.000 0.451 850 F N -1.127 118.803 119.950 -0.033 0.000 2.601 850 F HA 0.547 5.089 4.527 0.026 0.000 0.309 850 F C -0.549 175.379 175.800 0.213 0.000 1.089 850 F CA -0.810 57.114 58.000 -0.127 0.000 0.940 850 F CB 1.978 40.502 39.000 -0.793 0.000 1.273 850 F HN -0.328 nan 8.300 nan 0.000 0.450 851 I N 1.596 122.399 120.570 0.387 0.000 2.436 851 I HA 0.370 4.555 4.170 0.026 0.000 0.289 851 I C -0.675 175.716 176.117 0.456 0.000 1.010 851 I CA -0.500 61.044 61.300 0.405 0.000 1.098 851 I CB 2.121 40.268 38.000 0.246 0.000 1.266 851 I HN 0.526 nan 8.210 nan 0.000 0.434 852 S N 6.819 122.881 115.700 0.603 0.000 2.530 852 S HA 0.554 5.039 4.470 0.026 0.000 0.322 852 S C -0.613 174.224 174.600 0.394 0.000 1.085 852 S CA -0.682 57.844 58.200 0.544 0.000 1.096 852 S CB 0.503 64.155 63.200 0.753 0.000 0.988 852 S HN 0.524 nan 8.310 nan 0.000 0.466 853 R N 3.678 124.334 120.500 0.259 0.000 2.387 853 R HA 0.559 4.915 4.340 0.026 0.000 0.314 853 R C -0.643 175.723 176.300 0.110 0.000 0.958 853 R CA -0.734 55.471 56.100 0.175 0.000 0.846 853 R CB 1.695 32.074 30.300 0.132 0.000 1.147 853 R HN 0.544 nan 8.270 nan 0.000 0.447 854 K N 0.878 121.334 120.400 0.093 0.000 2.480 854 K HA 0.470 4.805 4.320 0.026 0.000 0.258 854 K C -0.781 175.795 176.600 -0.040 0.000 0.990 854 K CA -0.911 55.356 56.287 -0.032 0.000 0.857 854 K CB 2.606 35.069 32.500 -0.062 0.000 1.384 854 K HN 0.636 nan 8.250 nan 0.000 0.446 855 T N -1.409 113.047 114.554 -0.163 0.000 2.912 855 T HA 0.560 4.925 4.350 0.026 0.000 0.299 855 T C -1.339 173.217 174.700 -0.239 0.000 1.052 855 T CA -0.738 61.303 62.100 -0.097 0.000 0.996 855 T CB 0.523 69.363 68.868 -0.047 0.000 1.070 855 T HN 0.402 nan 8.240 nan 0.000 0.465 856 Y N 0.975 121.236 120.300 -0.066 0.000 2.331 856 Y HA 0.641 5.207 4.550 0.026 0.000 0.334 856 Y C 0.447 176.267 175.900 -0.134 0.000 0.960 856 Y CA -1.083 56.990 58.100 -0.045 0.000 1.130 856 Y CB 1.962 40.411 38.460 -0.018 0.000 1.164 856 Y HN 0.675 nan 8.280 nan 0.000 0.458 857 R N 4.525 125.038 120.500 0.021 0.000 2.388 857 R HA 0.626 4.981 4.340 0.026 0.000 0.314 857 R C -1.635 174.600 176.300 -0.109 0.000 0.959 857 R CA -0.395 55.669 56.100 -0.059 0.000 0.851 857 R CB 0.633 30.909 30.300 -0.040 0.000 1.168 857 R HN 0.791 nan 8.270 nan 0.000 0.472 858 I N 5.005 125.448 120.570 -0.213 0.000 2.354 858 I HA 0.214 4.399 4.170 0.026 0.000 0.292 858 I C -0.278 175.704 176.117 -0.226 0.000 0.989 858 I CA -0.630 60.463 61.300 -0.345 0.000 1.188 858 I CB 1.514 39.113 38.000 -0.668 0.000 1.342 858 I HN 0.696 nan 8.210 nan 0.000 0.457 859 D N 4.141 124.453 120.400 -0.147 0.000 2.621 859 D HA 0.271 4.927 4.640 0.026 0.000 0.255 859 D C 1.212 177.486 176.300 -0.043 0.000 1.122 859 D CA -0.721 53.230 54.000 -0.081 0.000 1.096 859 D CB 0.806 41.578 40.800 -0.048 0.000 1.282 859 D HN 0.469 nan 8.370 nan 0.000 0.619 860 G N -0.907 107.879 108.800 -0.022 0.000 2.499 860 G HA2 -0.255 3.720 3.960 0.026 0.000 0.221 860 G HA3 -0.255 3.720 3.960 0.026 0.000 0.221 860 G C 1.243 176.141 174.900 -0.004 0.000 1.109 860 G CA 1.407 46.505 45.100 -0.004 0.000 0.749 860 G HN 0.592 nan 8.290 nan 0.000 0.568 861 S N -0.853 114.841 115.700 -0.009 0.000 2.562 861 S HA 0.348 4.833 4.470 0.026 0.000 0.221 861 S C 1.924 176.561 174.600 0.063 0.000 0.975 861 S CA 0.956 59.156 58.200 0.000 0.000 0.918 861 S CB -0.065 63.134 63.200 -0.002 0.000 0.772 861 S HN 1.546 nan 8.310 nan 0.000 0.531 862 G N 0.424 109.284 108.800 0.099 0.000 2.176 862 G HA2 -0.238 3.737 3.960 0.026 0.000 0.253 862 G HA3 -0.238 3.737 3.960 0.026 0.000 0.253 862 G C -0.178 174.864 174.900 0.237 0.000 0.979 862 G CA 0.113 45.351 45.100 0.230 0.000 0.641 862 G HN 0.616 nan 8.290 nan 0.000 0.530 863 Q N -0.271 119.599 119.800 0.117 0.000 2.259 863 Q HA 0.627 4.982 4.340 0.026 0.000 0.249 863 Q C 0.259 176.295 176.000 0.060 0.000 0.914 863 Q CA -0.181 55.699 55.803 0.128 0.000 0.904 863 Q CB 1.491 30.285 28.738 0.093 0.000 1.213 863 Q HN 0.474 nan 8.270 nan 0.000 0.428 864 M N 2.003 121.686 119.600 0.138 0.000 2.072 864 M HA 0.519 5.014 4.480 0.026 0.000 0.331 864 M C -1.387 175.015 176.300 0.171 0.000 1.004 864 M CA -0.502 54.839 55.300 0.069 0.000 0.952 864 M CB 1.001 33.659 32.600 0.097 0.000 1.511 864 M HN 0.684 nan 8.290 nan 0.000 0.422 865 A N 6.965 129.844 122.820 0.099 0.000 2.276 865 A HA 0.665 5.000 4.320 0.026 0.000 0.300 865 A C -0.726 176.894 177.584 0.060 0.000 1.235 865 A CA -0.608 51.488 52.037 0.097 0.000 0.867 865 A CB 0.112 19.146 19.000 0.057 0.000 1.137 865 A HN 0.929 nan 8.150 nan 0.000 0.527 866 I N 2.413 123.009 120.570 0.042 0.000 2.378 866 I HA 0.316 4.501 4.170 0.026 0.000 0.291 866 I C -0.097 175.903 176.117 -0.195 0.000 0.992 866 I CA -0.212 61.004 61.300 -0.141 0.000 1.154 866 I CB 2.066 40.017 38.000 -0.082 0.000 1.315 866 I HN 0.493 nan 8.210 nan 0.000 0.448 867 T N 5.779 120.180 114.554 -0.255 0.000 2.797 867 T HA 0.556 4.921 4.350 0.026 0.000 0.279 867 T C -0.318 174.176 174.700 -0.344 0.000 0.991 867 T CA -0.448 61.505 62.100 -0.246 0.000 0.979 867 T CB 1.881 70.701 68.868 -0.080 0.000 0.943 867 T HN 0.215 nan 8.240 nan 0.000 0.444 868 V N 3.629 123.213 119.914 -0.550 0.000 2.588 868 V HA 0.490 4.626 4.120 0.026 0.000 0.304 868 V C -0.805 175.125 176.094 -0.273 0.000 1.042 868 V CA -0.907 61.099 62.300 -0.490 0.000 0.877 868 V CB 2.087 33.334 31.823 -0.960 0.000 0.996 868 V HN 0.849 nan 8.190 nan 0.000 0.425 869 D N 3.343 123.746 120.400 0.004 0.000 2.505 869 D HA 0.473 5.128 4.640 0.026 0.000 0.250 869 D C -0.972 175.456 176.300 0.214 0.000 1.164 869 D CA -0.098 54.006 54.000 0.173 0.000 0.870 869 D CB 2.665 43.589 40.800 0.207 0.000 1.160 869 D HN 0.245 nan 8.370 nan 0.000 0.549 870 V N 2.358 122.439 119.914 0.279 0.000 2.547 870 V HA 0.294 4.430 4.120 0.026 0.000 0.299 870 V C 0.186 176.434 176.094 0.257 0.000 1.040 870 V CA -0.605 61.875 62.300 0.301 0.000 0.913 870 V CB 2.337 34.379 31.823 0.365 0.000 0.992 870 V HN 0.355 nan 8.190 nan 0.000 0.449 871 E N 2.567 122.903 120.200 0.227 0.000 2.183 871 E HA 0.613 4.978 4.350 0.026 0.000 0.271 871 E C -1.550 175.169 176.600 0.198 0.000 0.919 871 E CA -0.565 55.946 56.400 0.185 0.000 0.781 871 E CB 2.537 32.329 29.700 0.153 0.000 1.140 871 E HN 0.406 nan 8.360 nan 0.000 0.402 872 V N 2.302 122.337 119.914 0.201 0.000 2.444 872 V HA 0.360 4.495 4.120 0.026 0.000 0.294 872 V C 0.064 176.254 176.094 0.161 0.000 1.022 872 V CA -0.881 61.559 62.300 0.234 0.000 0.850 872 V CB 1.453 33.449 31.823 0.288 0.000 0.992 872 V HN 0.836 nan 8.190 nan 0.000 0.426 873 A N 3.601 126.473 122.820 0.087 0.000 2.546 873 A HA 0.266 4.602 4.320 0.026 0.000 0.243 873 A C 1.657 179.313 177.584 0.120 0.000 1.063 873 A CA 0.642 52.721 52.037 0.071 0.000 0.757 873 A CB 0.249 19.256 19.000 0.013 0.000 0.991 873 A HN 1.367 nan 8.150 nan 0.000 0.503 874 S N 1.212 116.979 115.700 0.113 0.000 2.419 874 S HA -0.169 4.316 4.470 0.026 0.000 0.233 874 S C 0.885 175.564 174.600 0.132 0.000 1.016 874 S CA 1.416 59.702 58.200 0.142 0.000 0.974 874 S CB -0.312 62.951 63.200 0.104 0.000 0.786 874 S HN 0.827 nan 8.310 nan 0.000 0.492 875 D N 0.195 120.646 120.400 0.085 0.000 2.340 875 D HA 0.158 4.814 4.640 0.026 0.000 0.217 875 D C 0.434 176.765 176.300 0.050 0.000 1.081 875 D CA -0.012 54.021 54.000 0.054 0.000 0.842 875 D CB -0.341 40.480 40.800 0.034 0.000 0.934 875 D HN 0.300 nan 8.370 nan 0.000 0.511 876 T N 1.515 116.125 114.554 0.093 0.000 2.928 876 T HA 0.390 4.756 4.350 0.026 0.000 0.284 876 T C -2.602 172.194 174.700 0.160 0.000 1.008 876 T CA -1.967 60.211 62.100 0.129 0.000 1.057 876 T CB 1.261 70.230 68.868 0.167 0.000 1.018 876 T HN -0.137 nan 8.240 nan 0.000 0.493 877 P HA 0.059 nan 4.420 nan 0.000 0.264 877 P C -0.612 176.988 177.300 0.501 0.000 1.183 877 P CA 0.150 63.349 63.100 0.164 0.000 0.763 877 P CB -0.055 31.733 31.700 0.147 0.000 0.807 878 H N 3.724 123.156 119.070 0.603 0.000 3.001 878 H HA 0.084 4.655 4.556 0.026 0.000 0.334 878 H C -1.562 174.120 175.328 0.590 0.000 1.034 878 H CA -1.287 55.060 56.048 0.498 0.000 1.420 878 H CB -0.415 29.576 29.762 0.382 0.000 1.405 878 H HN 0.387 nan 8.280 nan 0.000 0.593 879 P HA 0.034 nan 4.420 nan 0.000 0.276 879 P C 0.087 177.287 177.300 -0.166 0.000 1.244 879 P CA -0.351 62.823 63.100 0.124 0.000 0.801 879 P CB 1.195 32.806 31.700 -0.149 0.000 1.006 880 A N 3.110 125.558 122.820 -0.620 0.000 2.019 880 A HA -0.099 4.236 4.320 0.026 0.000 0.219 880 A C 1.028 178.225 177.584 -0.645 0.000 1.164 880 A CA 1.313 52.952 52.037 -0.663 0.000 0.644 880 A CB -0.554 17.799 19.000 -1.078 0.000 0.805 880 A HN 0.751 nan 8.150 nan 0.000 0.449 881 R N -2.839 117.321 120.500 -0.567 0.000 2.712 881 R HA 0.713 5.069 4.340 0.026 0.000 0.272 881 R C -1.703 174.362 176.300 -0.391 0.000 1.032 881 R CA -0.814 54.975 56.100 -0.518 0.000 0.874 881 R CB 0.761 30.725 30.300 -0.559 0.000 1.256 881 R HN -0.006 nan 8.270 nan 0.000 0.468 882 I N 1.238 121.613 120.570 -0.324 0.000 2.493 882 I HA 0.653 4.838 4.170 0.026 0.000 0.279 882 I C -0.324 175.568 176.117 -0.374 0.000 1.045 882 I CA -0.343 60.792 61.300 -0.275 0.000 1.106 882 I CB 1.788 39.698 38.000 -0.150 0.000 1.216 882 I HN 0.970 nan 8.210 nan 0.000 0.459 883 G N 5.791 114.307 108.800 -0.472 0.000 2.664 883 G HA2 0.743 4.718 3.960 0.026 0.000 0.303 883 G HA3 0.743 4.718 3.960 0.026 0.000 0.303 883 G C -1.630 173.106 174.900 -0.274 0.000 1.243 883 G CA -0.584 44.282 45.100 -0.391 0.000 0.826 883 G HN 0.268 nan 8.290 nan 0.000 0.498 884 L N 0.761 121.872 121.223 -0.186 0.000 2.309 884 L HA 0.673 5.028 4.340 0.026 0.000 0.261 884 L C -0.716 176.057 176.870 -0.162 0.000 1.021 884 L CA -1.155 53.604 54.840 -0.135 0.000 0.823 884 L CB 2.470 44.530 42.059 0.003 0.000 1.366 884 L HN 0.806 nan 8.230 nan 0.000 0.423 885 N N 0.349 118.981 118.700 -0.114 0.000 2.610 885 N HA 0.713 5.469 4.740 0.026 0.000 0.264 885 N C -1.258 174.258 175.510 0.010 0.000 1.348 885 N CA -0.609 52.406 53.050 -0.059 0.000 0.819 885 N CB 2.227 40.707 38.487 -0.012 0.000 1.521 885 N HN 0.866 nan 8.380 nan 0.000 0.497 886 C N -1.595 117.722 119.300 0.029 0.000 3.312 886 C HA 0.594 5.069 4.460 0.026 0.000 0.332 886 C C -1.204 173.598 174.990 -0.313 0.000 1.340 886 C CA -0.839 58.141 59.018 -0.062 0.000 1.265 886 C CB 1.054 28.786 27.740 -0.013 0.000 1.563 886 C HN 0.848 nan 8.230 nan 0.000 0.471 887 Q N 1.434 120.822 119.800 -0.686 0.000 2.372 887 Q HA 0.645 5.001 4.340 0.026 0.000 0.259 887 Q C -1.025 174.666 176.000 -0.515 0.000 0.993 887 Q CA -0.399 54.740 55.803 -1.107 0.000 0.854 887 Q CB 0.888 28.646 28.738 -1.633 0.000 1.231 887 Q HN 0.769 nan 8.270 nan 0.000 0.462 888 L N 2.232 123.261 121.223 -0.324 0.000 2.417 888 L HA 0.275 4.631 4.340 0.026 0.000 0.268 888 L C 1.226 178.026 176.870 -0.117 0.000 1.158 888 L CA -0.178 54.596 54.840 -0.109 0.000 0.819 888 L CB 0.815 42.920 42.059 0.078 0.000 1.112 888 L HN 0.788 nan 8.230 nan 0.000 0.458 889 A N 1.867 124.646 122.820 -0.067 0.000 2.014 889 A HA -0.098 4.238 4.320 0.026 0.000 0.218 889 A C 1.047 178.617 177.584 -0.023 0.000 1.163 889 A CA 0.672 52.666 52.037 -0.073 0.000 0.652 889 A CB -0.251 18.700 19.000 -0.081 0.000 0.808 889 A HN 0.796 nan 8.150 nan 0.000 0.449 890 Q N -0.369 119.454 119.800 0.039 0.000 2.260 890 Q HA 0.497 4.852 4.340 0.026 0.000 0.242 890 Q C -1.308 174.738 176.000 0.076 0.000 0.932 890 Q CA -0.235 55.590 55.803 0.036 0.000 0.891 890 Q CB 1.284 30.060 28.738 0.063 0.000 1.222 890 Q HN 0.099 nan 8.270 nan 0.000 0.453 891 V N 3.067 122.995 119.914 0.024 0.000 2.378 891 V HA 0.748 4.883 4.120 0.026 0.000 0.288 891 V C -0.547 175.534 176.094 -0.021 0.000 1.016 891 V CA -0.382 61.961 62.300 0.071 0.000 0.840 891 V CB 0.868 32.710 31.823 0.032 0.000 0.994 891 V HN 0.890 nan 8.190 nan 0.000 0.431 892 A N 3.306 126.075 122.820 -0.086 0.000 2.322 892 A HA 0.732 5.067 4.320 0.026 0.000 0.327 892 A C 0.672 178.250 177.584 -0.010 0.000 1.134 892 A CA -0.471 51.430 52.037 -0.226 0.000 0.831 892 A CB 1.276 19.886 19.000 -0.650 0.000 1.288 892 A HN 0.805 nan 8.150 nan 0.000 0.472 893 E N -0.214 119.975 120.200 -0.018 0.000 2.107 893 E HA -0.036 4.329 4.350 0.026 0.000 0.191 893 E C 0.215 176.878 176.600 0.106 0.000 0.982 893 E CA 0.856 57.284 56.400 0.047 0.000 0.809 893 E CB 0.175 29.888 29.700 0.022 0.000 0.756 893 E HN 0.436 nan 8.360 nan 0.000 0.459 894 R N -0.055 120.514 120.500 0.114 0.000 2.832 894 R HA 0.495 4.851 4.340 0.026 0.000 0.271 894 R C -0.924 175.553 176.300 0.296 0.000 0.996 894 R CA -0.922 55.283 56.100 0.175 0.000 0.977 894 R CB 1.667 32.040 30.300 0.122 0.000 1.168 894 R HN -0.174 nan 8.270 nan 0.000 0.482 895 V N 2.097 122.206 119.914 0.326 0.000 2.483 895 V HA 0.393 4.528 4.120 0.026 0.000 0.297 895 V C -0.257 176.118 176.094 0.468 0.000 1.027 895 V CA -0.923 61.613 62.300 0.394 0.000 0.855 895 V CB 1.838 33.838 31.823 0.295 0.000 0.995 895 V HN 0.649 nan 8.190 nan 0.000 0.424 896 N N 4.554 123.506 118.700 0.419 0.000 2.346 896 N HA 0.543 5.299 4.740 0.026 0.000 0.289 896 N C -1.388 174.382 175.510 0.433 0.000 1.027 896 N CA -0.422 52.846 53.050 0.363 0.000 0.864 896 N CB 2.759 41.349 38.487 0.171 0.000 1.370 896 N HN 0.823 nan 8.380 nan 0.000 0.481 897 W N 3.139 124.475 121.300 0.060 0.000 3.075 897 W HA 0.596 5.271 4.660 0.025 0.000 0.334 897 W C -2.070 174.413 176.519 -0.060 0.000 1.243 897 W CA -1.102 56.251 57.345 0.013 0.000 1.170 897 W CB 0.747 30.231 29.460 0.040 0.000 1.452 897 W HN 0.230 nan 8.180 nan 0.000 0.572 898 L N 3.854 125.057 121.223 -0.033 0.000 2.295 898 L HA 0.914 5.270 4.340 0.026 0.000 0.281 898 L C -0.003 176.714 176.870 -0.255 0.000 1.018 898 L CA 0.360 54.988 54.840 -0.353 0.000 0.841 898 L CB 0.702 42.633 42.059 -0.213 0.000 1.218 898 L HN 1.006 nan 8.230 nan 0.000 0.424 899 G N 3.710 112.212 108.800 -0.497 0.000 2.335 899 G HA2 0.208 4.184 3.960 0.026 0.000 0.291 899 G HA3 0.208 4.184 3.960 0.026 0.000 0.291 899 G C -1.671 173.282 174.900 0.089 0.000 1.261 899 G CA -1.042 44.029 45.100 -0.049 0.000 0.871 899 G HN 0.438 nan 8.290 nan 0.000 0.491 900 L N 0.951 122.359 121.223 0.308 0.000 2.380 900 L HA 0.629 4.984 4.340 0.026 0.000 0.273 900 L C 1.086 178.095 176.870 0.232 0.000 1.138 900 L CA 0.746 55.728 54.840 0.236 0.000 0.832 900 L CB 0.769 42.910 42.059 0.137 0.000 1.124 900 L HN 1.206 nan 8.230 nan 0.000 0.454 901 G N 2.516 111.261 108.800 -0.091 0.000 2.348 901 G HA2 0.222 4.198 3.960 0.026 0.000 0.296 901 G HA3 0.222 4.198 3.960 0.026 0.000 0.296 901 G C -2.739 171.424 174.900 -1.229 0.000 1.258 901 G CA -0.259 44.475 45.100 -0.611 0.000 0.868 901 G HN 0.317 nan 8.290 nan 0.000 0.488 902 P HA 0.085 nan 4.420 nan 0.000 0.235 902 P C 0.451 177.565 177.300 -0.311 0.000 1.177 902 P CA 0.646 63.128 63.100 -1.029 0.000 0.785 902 P CB 0.468 31.674 31.700 -0.823 0.000 0.885 903 Q N 0.416 120.030 119.800 -0.310 0.000 2.249 903 Q HA 0.166 4.522 4.340 0.026 0.000 0.226 903 Q C 0.329 176.226 176.000 -0.170 0.000 0.983 903 Q CA -0.705 54.989 55.803 -0.181 0.000 0.930 903 Q CB 0.735 29.382 28.738 -0.151 0.000 1.193 903 Q HN 0.113 nan 8.270 nan 0.000 0.508 904 E N 1.261 121.366 120.200 -0.158 0.000 2.568 904 E HA -0.126 4.239 4.350 0.026 0.000 0.262 904 E C -1.107 175.415 176.600 -0.129 0.000 0.961 904 E CA 0.323 56.617 56.400 -0.176 0.000 0.945 904 E CB 0.247 29.909 29.700 -0.063 0.000 0.924 904 E HN 0.580 nan 8.360 nan 0.000 0.467 905 N N 2.644 121.200 118.700 -0.241 0.000 2.308 905 N HA 0.320 5.075 4.740 0.026 0.000 0.283 905 N C -1.882 173.414 175.510 -0.358 0.000 1.105 905 N CA -0.663 52.292 53.050 -0.159 0.000 0.840 905 N CB 0.748 39.162 38.487 -0.121 0.000 1.633 905 N HN 0.223 nan 8.380 nan 0.000 0.476 906 Y N 0.187 120.394 120.300 -0.156 0.000 2.633 906 Y HA 0.511 5.076 4.550 0.026 0.000 0.339 906 Y C -1.651 174.170 175.900 -0.132 0.000 1.045 906 Y CA -2.090 55.905 58.100 -0.175 0.000 1.098 906 Y CB 1.791 40.143 38.460 -0.180 0.000 1.296 906 Y HN 0.436 nan 8.280 nan 0.000 0.494 907 P HA -0.188 nan 4.420 nan 0.000 0.216 907 P C 0.433 177.591 177.300 -0.237 0.000 1.154 907 P CA 2.225 65.346 63.100 0.034 0.000 0.865 907 P CB 0.208 32.046 31.700 0.230 0.000 0.789 908 D N -2.309 117.732 120.400 -0.599 0.000 2.342 908 D HA 0.006 4.662 4.640 0.026 0.000 0.221 908 D C 0.693 176.832 176.300 -0.268 0.000 1.101 908 D CA 0.059 53.510 54.000 -0.916 0.000 0.837 908 D CB -0.235 39.783 40.800 -1.303 0.000 0.938 908 D HN 0.128 nan 8.370 nan 0.000 0.508 909 R N 1.031 121.475 120.500 -0.094 0.000 2.627 909 R HA 0.191 4.546 4.340 0.026 0.000 0.251 909 R C -0.570 175.756 176.300 0.043 0.000 1.524 909 R CA -0.162 55.947 56.100 0.015 0.000 1.606 909 R CB 0.037 30.349 30.300 0.021 0.000 1.396 909 R HN 0.095 nan 8.270 nan 0.000 0.724 910 L N -1.922 119.334 121.223 0.055 0.000 3.259 910 L HA 0.349 4.705 4.340 0.026 0.000 0.292 910 L C 1.347 178.273 176.870 0.094 0.000 1.219 910 L CA 0.079 54.953 54.840 0.056 0.000 1.035 910 L CB 0.209 42.289 42.059 0.035 0.000 1.424 910 L HN 0.080 nan 8.230 nan 0.000 0.603 911 T N -2.614 112.023 114.554 0.139 0.000 2.867 911 T HA 0.010 4.375 4.350 0.026 0.000 0.268 911 T C 1.808 176.556 174.700 0.080 0.000 1.057 911 T CA 1.281 63.490 62.100 0.181 0.000 1.136 911 T CB -0.336 68.698 68.868 0.277 0.000 0.874 911 T HN 0.375 nan 8.240 nan 0.000 0.466 912 A N 1.719 124.590 122.820 0.085 0.000 2.066 912 A HA 0.625 4.960 4.320 0.026 0.000 0.218 912 A C 1.652 179.313 177.584 0.129 0.000 1.157 912 A CA 0.560 52.595 52.037 -0.004 0.000 0.670 912 A CB -1.013 18.132 19.000 0.242 0.000 0.804 912 A HN 0.849 nan 8.150 nan 0.000 0.453 913 A N -1.114 121.736 122.820 0.049 0.000 2.445 913 A HA 0.425 4.761 4.320 0.026 0.000 0.242 913 A C 0.051 177.661 177.584 0.044 0.000 1.075 913 A CA 0.038 52.069 52.037 -0.012 0.000 0.777 913 A CB -0.164 18.816 19.000 -0.034 0.000 1.013 913 A HN 0.492 nan 8.150 nan 0.000 0.493 914 C N 0.677 120.002 119.300 0.041 0.000 2.561 914 C HA 0.540 5.016 4.460 0.026 0.000 0.319 914 C C -0.144 174.957 174.990 0.185 0.000 1.198 914 C CA -0.493 58.606 59.018 0.136 0.000 1.665 914 C CB 0.874 28.720 27.740 0.177 0.000 2.258 914 C HN 0.795 nan 8.230 nan 0.000 0.493 915 F N 3.867 123.673 119.950 -0.241 0.000 2.444 915 F HA 0.474 5.017 4.527 0.026 0.000 0.360 915 F C 0.359 175.828 175.800 -0.550 0.000 1.106 915 F CA 1.177 58.874 58.000 -0.504 0.000 1.170 915 F CB -0.057 38.131 39.000 -1.353 0.000 1.113 915 F HN 0.616 nan 8.300 nan 0.000 0.521 916 D N 3.415 123.167 120.400 -1.079 0.000 2.865 916 D HA 0.185 4.840 4.640 0.026 0.000 0.343 916 D C -1.656 173.732 176.300 -1.520 0.000 1.372 916 D CA -0.743 52.520 54.000 -1.228 0.000 0.862 916 D CB 1.562 41.547 40.800 -1.358 0.000 1.425 916 D HN 0.494 nan 8.370 nan 0.000 0.501 917 R N 0.594 120.292 120.500 -1.337 0.000 2.255 917 R HA 0.551 4.906 4.340 0.026 0.000 0.326 917 R C -1.414 174.143 176.300 -1.239 0.000 0.986 917 R CA -0.226 55.250 56.100 -1.040 0.000 0.847 917 R CB 0.411 30.349 30.300 -0.603 0.000 1.111 917 R HN 0.304 nan 8.270 nan 0.000 0.452 918 W N 2.472 123.258 121.300 -0.855 0.000 2.781 918 W HA 0.430 5.105 4.660 0.026 0.000 0.345 918 W C -0.581 175.573 176.519 -0.608 0.000 1.085 918 W CA -0.701 56.115 57.345 -0.881 0.000 1.198 918 W CB 1.866 30.354 29.460 -1.619 0.000 1.423 918 W HN 0.388 nan 8.180 nan 0.000 0.532 919 D N 2.444 122.820 120.400 -0.039 0.000 2.763 919 D HA 0.446 5.101 4.640 0.026 0.000 0.235 919 D C -1.559 174.839 176.300 0.164 0.000 1.334 919 D CA -0.153 53.906 54.000 0.098 0.000 0.950 919 D CB 1.177 41.996 40.800 0.032 0.000 1.433 919 D HN 0.374 nan 8.370 nan 0.000 0.580 920 L N 3.110 124.500 121.223 0.278 0.000 2.350 920 L HA 0.556 4.912 4.340 0.026 0.000 0.260 920 L C -2.279 174.707 176.870 0.193 0.000 1.015 920 L CA -2.139 52.834 54.840 0.221 0.000 0.821 920 L CB 2.711 44.938 42.059 0.279 0.000 1.370 920 L HN 0.188 nan 8.230 nan 0.000 0.416 921 P HA 0.007 nan 4.420 nan 0.000 0.269 921 P C 0.555 177.936 177.300 0.135 0.000 1.209 921 P CA -0.305 62.867 63.100 0.120 0.000 0.776 921 P CB 0.974 32.725 31.700 0.085 0.000 0.876 922 L N 3.372 124.681 121.223 0.143 0.000 2.079 922 L HA -0.232 4.123 4.340 0.026 0.000 0.210 922 L C 2.300 179.223 176.870 0.089 0.000 1.081 922 L CA 2.659 57.576 54.840 0.128 0.000 0.752 922 L CB -1.388 40.761 42.059 0.150 0.000 0.896 922 L HN 0.457 nan 8.230 nan 0.000 0.433 923 S N -1.875 113.877 115.700 0.088 0.000 2.442 923 S HA -0.169 4.316 4.470 0.026 0.000 0.236 923 S C 1.554 176.227 174.600 0.122 0.000 1.007 923 S CA 1.107 59.372 58.200 0.108 0.000 0.965 923 S CB -0.750 62.509 63.200 0.099 0.000 0.773 923 S HN 0.521 nan 8.310 nan 0.000 0.504 924 D N 1.175 121.626 120.400 0.084 0.000 2.371 924 D HA 0.097 4.752 4.640 0.026 0.000 0.221 924 D C 1.231 177.544 176.300 0.023 0.000 0.986 924 D CA 0.570 54.600 54.000 0.049 0.000 0.899 924 D CB -0.113 40.719 40.800 0.054 0.000 0.902 924 D HN 0.413 nan 8.370 nan 0.000 0.530 925 M N -0.476 119.147 119.600 0.039 0.000 2.561 925 M HA 0.050 4.545 4.480 0.026 0.000 0.238 925 M C 0.019 176.330 176.300 0.018 0.000 1.131 925 M CA 0.013 55.295 55.300 -0.031 0.000 1.046 925 M CB -0.669 31.898 32.600 -0.056 0.000 1.532 925 M HN -0.050 nan 8.290 nan 0.000 0.497 926 Y N 0.084 120.353 120.300 -0.050 0.000 2.376 926 Y HA 0.499 5.064 4.550 0.026 0.000 0.340 926 Y C -0.801 175.073 175.900 -0.044 0.000 0.965 926 Y CA -0.986 57.106 58.100 -0.012 0.000 1.078 926 Y CB 1.341 39.850 38.460 0.082 0.000 1.193 926 Y HN -0.156 nan 8.280 nan 0.000 0.452 927 T N 9.048 123.204 114.554 -0.662 0.000 2.758 927 T HA 0.297 4.663 4.350 0.026 0.000 0.285 927 T C -2.695 171.328 174.700 -1.129 0.000 0.981 927 T CA -1.483 60.168 62.100 -0.748 0.000 0.965 927 T CB 1.112 69.575 68.868 -0.674 0.000 0.927 927 T HN 0.461 nan 8.240 nan 0.000 0.448 928 P HA 0.149 nan 4.420 nan 0.000 0.220 928 P C -0.649 176.607 177.300 -0.072 0.000 1.806 928 P CA -0.454 62.259 63.100 -0.644 0.000 0.976 928 P CB -0.642 30.823 31.700 -0.393 0.000 1.952 929 Y N -0.202 120.137 120.300 0.064 0.000 2.702 929 Y HA -0.107 4.459 4.550 0.026 0.000 0.336 929 Y C 2.311 178.330 175.900 0.199 0.000 1.235 929 Y CA -0.413 57.811 58.100 0.206 0.000 1.492 929 Y CB 0.539 38.993 38.460 -0.010 0.000 1.308 929 Y HN -0.072 nan 8.280 nan 0.000 0.589 930 V N 3.269 123.476 119.914 0.487 0.000 2.332 930 V HA -0.307 3.829 4.120 0.026 0.000 0.248 930 V C 0.517 176.787 176.094 0.294 0.000 1.055 930 V CA 1.470 63.996 62.300 0.378 0.000 1.038 930 V CB -0.541 31.531 31.823 0.414 0.000 0.651 930 V HN 0.583 nan 8.190 nan 0.000 0.450 931 F N 3.007 123.010 119.950 0.089 0.000 2.371 931 F HA 0.514 5.057 4.527 0.026 0.000 0.363 931 F C -2.525 173.279 175.800 0.006 0.000 1.122 931 F CA -3.301 54.682 58.000 -0.028 0.000 1.129 931 F CB 0.817 39.670 39.000 -0.245 0.000 1.173 931 F HN -0.011 nan 8.300 nan 0.000 0.489 932 P HA 0.309 nan 4.420 nan 0.000 0.275 932 P C -1.097 175.916 177.300 -0.478 0.000 1.228 932 P CA -0.011 62.858 63.100 -0.385 0.000 0.786 932 P CB 1.407 32.914 31.700 -0.321 0.000 0.927 933 S N -0.161 115.438 115.700 -0.168 0.000 2.703 933 S HA 0.455 4.940 4.470 0.026 0.000 0.273 933 S C -0.793 173.801 174.600 -0.011 0.000 1.178 933 S CA -0.947 57.186 58.200 -0.113 0.000 0.838 933 S CB 0.355 63.510 63.200 -0.076 0.000 1.178 933 S HN 0.336 nan 8.310 nan 0.000 0.494 934 E N 1.188 121.391 120.200 0.005 0.000 2.502 934 E HA 0.371 4.736 4.350 0.026 0.000 0.261 934 E C -0.227 176.429 176.600 0.092 0.000 0.974 934 E CA 0.674 57.107 56.400 0.054 0.000 0.936 934 E CB -0.177 29.579 29.700 0.093 0.000 0.926 934 E HN 0.786 nan 8.360 nan 0.000 0.459 935 N N 1.412 120.206 118.700 0.157 0.000 3.046 935 N HA 0.483 5.239 4.740 0.026 0.000 0.243 935 N C 0.173 175.753 175.510 0.116 0.000 1.452 935 N CA -0.560 52.626 53.050 0.226 0.000 0.882 935 N CB 0.969 39.596 38.487 0.233 0.000 1.425 935 N HN 0.733 nan 8.380 nan 0.000 0.517 936 G N -1.293 107.539 108.800 0.052 0.000 2.184 936 G HA2 -0.265 3.710 3.960 0.026 0.000 0.264 936 G HA3 -0.265 3.710 3.960 0.026 0.000 0.264 936 G C -0.222 174.430 174.900 -0.414 0.000 0.975 936 G CA 0.404 45.411 45.100 -0.156 0.000 0.642 936 G HN 0.701 nan 8.290 nan 0.000 0.536 937 L N 0.189 121.082 121.223 -0.550 0.000 2.483 937 L HA 0.672 5.028 4.340 0.026 0.000 0.276 937 L C 0.686 176.979 176.870 -0.961 0.000 1.213 937 L CA 0.386 54.656 54.840 -0.949 0.000 0.843 937 L CB 0.559 41.724 42.059 -1.489 0.000 1.107 937 L HN 0.256 nan 8.230 nan 0.000 0.487 938 R N 2.409 122.259 120.500 -1.084 0.000 2.513 938 R HA 0.504 4.859 4.340 0.026 0.000 0.301 938 R C -1.015 174.933 176.300 -0.585 0.000 0.968 938 R CA -0.267 55.329 56.100 -0.841 0.000 0.872 938 R CB 1.421 31.062 30.300 -1.097 0.000 1.177 938 R HN 0.691 nan 8.270 nan 0.000 0.444 939 C N 0.343 119.451 119.300 -0.320 0.000 2.380 939 C HA 0.710 5.185 4.460 0.026 0.000 0.393 939 C C 1.266 176.233 174.990 -0.038 0.000 1.284 939 C CA 0.020 58.924 59.018 -0.190 0.000 2.033 939 C CB 1.383 29.036 27.740 -0.144 0.000 2.165 939 C HN 1.025 nan 8.230 nan 0.000 0.540 940 G N 1.750 110.539 108.800 -0.018 0.000 2.341 940 G HA2 -0.190 3.785 3.960 0.026 0.000 0.292 940 G HA3 -0.190 3.785 3.960 0.026 0.000 0.292 940 G C -0.039 174.924 174.900 0.104 0.000 1.021 940 G CA 0.642 45.782 45.100 0.067 0.000 0.905 940 G HN 0.797 nan 8.290 nan 0.000 0.508 941 T N 0.099 114.581 114.554 -0.120 0.000 2.771 941 T HA 0.508 4.873 4.350 0.026 0.000 0.291 941 T C 1.323 175.712 174.700 -0.518 0.000 0.954 941 T CA -0.590 61.379 62.100 -0.219 0.000 1.045 941 T CB 1.384 70.143 68.868 -0.181 0.000 0.917 941 T HN 0.232 nan 8.240 nan 0.000 0.484 942 R N 1.574 122.002 120.500 -0.120 0.000 2.307 942 R HA 0.295 4.650 4.340 0.026 0.000 0.200 942 R C 0.502 176.856 176.300 0.090 0.000 0.893 942 R CA 0.160 56.260 56.100 -0.000 0.000 1.042 942 R CB 0.407 30.826 30.300 0.198 0.000 1.059 942 R HN 0.699 nan 8.270 nan 0.000 0.530 943 E N 0.487 120.743 120.200 0.094 0.000 2.335 943 E HA 0.362 4.728 4.350 0.026 0.000 0.280 943 E C -1.888 174.858 176.600 0.243 0.000 0.918 943 E CA -0.680 55.850 56.400 0.217 0.000 0.765 943 E CB 1.528 31.316 29.700 0.147 0.000 1.218 943 E HN -0.080 nan 8.360 nan 0.000 0.425 944 L N 3.877 125.298 121.223 0.330 0.000 2.408 944 L HA 0.620 4.976 4.340 0.026 0.000 0.268 944 L C -1.874 175.185 176.870 0.315 0.000 0.986 944 L CA -0.375 54.590 54.840 0.209 0.000 0.820 944 L CB 1.894 43.933 42.059 -0.033 0.000 1.303 944 L HN 0.496 nan 8.230 nan 0.000 0.411 945 N N 4.116 122.978 118.700 0.270 0.000 2.296 945 N HA 0.451 5.206 4.740 0.026 0.000 0.294 945 N C -2.042 173.692 175.510 0.374 0.000 1.033 945 N CA -0.274 52.932 53.050 0.261 0.000 0.839 945 N CB 2.358 40.941 38.487 0.159 0.000 1.395 945 N HN 0.636 nan 8.380 nan 0.000 0.479 946 Y N 0.939 121.375 120.300 0.226 0.000 2.358 946 Y HA 0.398 4.964 4.550 0.026 0.000 0.324 946 Y C 0.518 176.518 175.900 0.167 0.000 1.123 946 Y CA 0.220 58.452 58.100 0.221 0.000 1.067 946 Y CB 0.676 39.326 38.460 0.317 0.000 1.230 946 Y HN 0.852 nan 8.280 nan 0.000 0.429 947 G N 6.399 114.980 108.800 -0.366 0.000 2.566 947 G HA2 -0.292 3.684 3.960 0.026 0.000 0.280 947 G HA3 -0.292 3.684 3.960 0.026 0.000 0.280 947 G C -1.761 173.005 174.900 -0.224 0.000 1.225 947 G CA 0.034 44.933 45.100 -0.335 0.000 0.966 947 G HN 0.622 nan 8.290 nan 0.000 0.560 948 P HA 0.115 nan 4.420 nan 0.000 0.245 948 P C 0.214 177.274 177.300 -0.399 0.000 1.212 948 P CA 0.845 63.729 63.100 -0.360 0.000 0.774 948 P CB -0.022 31.411 31.700 -0.444 0.000 0.999 949 H N 0.285 119.274 119.070 -0.136 0.000 2.472 949 H HA 0.466 5.038 4.556 0.026 0.000 0.335 949 H C -0.103 174.923 175.328 -0.503 0.000 1.136 949 H CA -0.138 55.688 56.048 -0.369 0.000 1.264 949 H CB 1.709 31.022 29.762 -0.748 0.000 1.486 949 H HN 0.077 nan 8.280 nan 0.000 0.517 950 Q N 2.419 121.944 119.800 -0.458 0.000 2.347 950 Q HA 0.272 4.628 4.340 0.026 0.000 0.271 950 Q C -1.583 174.156 176.000 -0.435 0.000 1.064 950 Q CA -0.722 54.917 55.803 -0.273 0.000 0.800 950 Q CB 2.159 30.867 28.738 -0.050 0.000 1.304 950 Q HN 0.579 nan 8.270 nan 0.000 0.438 951 W N 3.528 124.785 121.300 -0.072 0.000 2.785 951 W HA 0.581 5.256 4.660 0.026 0.000 0.333 951 W C -0.298 176.295 176.519 0.123 0.000 1.062 951 W CA -0.765 56.506 57.345 -0.123 0.000 1.233 951 W CB 2.079 31.257 29.460 -0.469 0.000 1.413 951 W HN 0.534 nan 8.180 nan 0.000 0.489 952 R N 0.551 121.283 120.500 0.387 0.000 2.807 952 R HA 0.797 5.152 4.340 0.026 0.000 0.276 952 R C 0.180 176.765 176.300 0.475 0.000 0.979 952 R CA -0.465 55.886 56.100 0.418 0.000 0.928 952 R CB 2.416 32.869 30.300 0.255 0.000 1.191 952 R HN 0.764 nan 8.270 nan 0.000 0.471 953 G N 0.644 109.722 108.800 0.463 0.000 2.534 953 G HA2 -0.014 3.961 3.960 0.026 0.000 0.142 953 G HA3 -0.014 3.961 3.960 0.026 0.000 0.142 953 G C -1.757 173.309 174.900 0.276 0.000 1.178 953 G CA -0.334 45.012 45.100 0.410 0.000 1.037 953 G HN 0.502 nan 8.290 nan 0.000 0.474 954 D N 0.033 120.602 120.400 0.282 0.000 2.527 954 D HA 0.569 5.225 4.640 0.026 0.000 0.242 954 D C -0.669 175.653 176.300 0.035 0.000 1.285 954 D CA -0.444 53.588 54.000 0.053 0.000 0.886 954 D CB 0.073 40.927 40.800 0.089 0.000 1.402 954 D HN 0.577 nan 8.370 nan 0.000 0.528 955 F N -0.357 119.588 119.950 -0.007 0.000 2.790 955 F HA 0.753 5.296 4.527 0.026 0.000 0.337 955 F C -0.993 174.763 175.800 -0.073 0.000 1.163 955 F CA -0.995 56.937 58.000 -0.113 0.000 0.997 955 F CB 0.764 39.694 39.000 -0.116 0.000 1.437 955 F HN -0.180 nan 8.300 nan 0.000 0.512 956 Q N 1.426 121.293 119.800 0.112 0.000 2.348 956 Q HA 0.644 4.999 4.340 0.026 0.000 0.271 956 Q C -1.267 174.790 176.000 0.095 0.000 1.067 956 Q CA -0.529 55.249 55.803 -0.040 0.000 0.839 956 Q CB 2.728 31.347 28.738 -0.199 0.000 1.354 956 Q HN 0.861 nan 8.270 nan 0.000 0.447 957 F N -1.202 118.625 119.950 -0.206 0.000 2.711 957 F HA 0.761 5.303 4.527 0.026 0.000 0.313 957 F C -1.476 174.109 175.800 -0.359 0.000 1.141 957 F CA -1.117 56.731 58.000 -0.253 0.000 0.941 957 F CB 1.548 40.421 39.000 -0.212 0.000 1.349 957 F HN 0.568 nan 8.300 nan 0.000 0.464 958 N N 1.207 119.714 118.700 -0.323 0.000 2.329 958 N HA 0.741 5.496 4.740 0.026 0.000 0.282 958 N C -2.102 173.343 175.510 -0.108 0.000 1.198 958 N CA -0.744 52.096 53.050 -0.350 0.000 0.790 958 N CB 2.642 40.947 38.487 -0.303 0.000 1.579 958 N HN 1.145 nan 8.380 nan 0.000 0.475 959 I N 0.244 120.746 120.570 -0.114 0.000 2.680 959 I HA 0.684 4.869 4.170 0.026 0.000 0.291 959 I C -1.480 174.555 176.117 -0.136 0.000 1.244 959 I CA 0.049 61.254 61.300 -0.159 0.000 1.042 959 I CB 1.398 39.233 38.000 -0.274 0.000 1.277 959 I HN 1.082 nan 8.210 nan 0.000 0.423 960 S N 6.170 121.799 115.700 -0.119 0.000 2.669 960 S HA 0.501 4.986 4.470 0.026 0.000 0.266 960 S C -0.367 174.118 174.600 -0.191 0.000 1.149 960 S CA -0.987 57.132 58.200 -0.135 0.000 0.842 960 S CB 1.601 64.777 63.200 -0.040 0.000 1.160 960 S HN 0.644 nan 8.310 nan 0.000 0.487 961 R N -0.136 120.067 120.500 -0.495 0.000 2.356 961 R HA 0.265 4.621 4.340 0.026 0.000 0.234 961 R C -0.908 175.065 176.300 -0.545 0.000 0.929 961 R CA 0.259 56.062 56.100 -0.496 0.000 1.084 961 R CB -0.780 29.127 30.300 -0.654 0.000 1.105 961 R HN 0.652 nan 8.270 nan 0.000 0.515 962 Y N 0.324 120.587 120.300 -0.062 0.000 2.341 962 Y HA 0.206 4.771 4.550 0.026 0.000 0.338 962 Y C 0.807 176.499 175.900 -0.348 0.000 0.965 962 Y CA -1.076 56.903 58.100 -0.202 0.000 1.108 962 Y CB 1.459 39.749 38.460 -0.284 0.000 1.180 962 Y HN -0.087 nan 8.280 nan 0.000 0.458 963 S N 1.487 116.848 115.700 -0.565 0.000 2.614 963 S HA 0.063 4.548 4.470 0.026 0.000 0.265 963 S C 0.889 175.149 174.600 -0.567 0.000 1.303 963 S CA -0.763 56.738 58.200 -1.164 0.000 1.000 963 S CB 1.109 63.370 63.200 -1.565 0.000 0.935 963 S HN 0.724 nan 8.310 nan 0.000 0.551 964 Q N 0.535 120.023 119.800 -0.521 0.000 2.124 964 Q HA -0.192 4.164 4.340 0.026 0.000 0.202 964 Q C 2.206 178.064 176.000 -0.237 0.000 0.977 964 Q CA 1.747 57.386 55.803 -0.274 0.000 0.850 964 Q CB -0.545 28.068 28.738 -0.208 0.000 0.901 964 Q HN 0.951 nan 8.270 nan 0.000 0.429 965 Q N 0.607 120.227 119.800 -0.300 0.000 2.084 965 Q HA -0.218 4.138 4.340 0.026 0.000 0.202 965 Q C 2.124 178.015 176.000 -0.181 0.000 0.978 965 Q CA 1.493 57.179 55.803 -0.195 0.000 0.844 965 Q CB 0.038 28.663 28.738 -0.189 0.000 0.898 965 Q HN 0.410 nan 8.270 nan 0.000 0.426 966 Q N 0.057 119.721 119.800 -0.227 0.000 2.050 966 Q HA -0.168 4.188 4.340 0.026 0.000 0.202 966 Q C 2.203 178.083 176.000 -0.200 0.000 0.980 966 Q CA 1.304 56.991 55.803 -0.194 0.000 0.840 966 Q CB -0.081 28.521 28.738 -0.227 0.000 0.898 966 Q HN 0.479 nan 8.270 nan 0.000 0.424 967 L N 0.620 121.719 121.223 -0.207 0.000 2.083 967 L HA -0.214 4.141 4.340 0.026 0.000 0.209 967 L C 2.710 179.456 176.870 -0.207 0.000 1.083 967 L CA 1.492 56.207 54.840 -0.209 0.000 0.752 967 L CB -0.488 41.481 42.059 -0.150 0.000 0.899 967 L HN 0.484 nan 8.230 nan 0.000 0.433 968 M N -1.768 117.738 119.600 -0.157 0.000 2.492 968 M HA -0.081 4.415 4.480 0.026 0.000 0.262 968 M C 1.354 177.584 176.300 -0.116 0.000 1.090 968 M CA 1.567 56.789 55.300 -0.129 0.000 1.110 968 M CB -0.329 32.206 32.600 -0.108 0.000 1.407 968 M HN 0.108 nan 8.290 nan 0.000 0.470 969 E N 0.905 121.035 120.200 -0.118 0.000 2.474 969 E HA 0.106 4.471 4.350 0.026 0.000 0.194 969 E C -0.327 176.227 176.600 -0.077 0.000 1.041 969 E CA 0.167 56.520 56.400 -0.078 0.000 0.874 969 E CB 0.526 30.187 29.700 -0.064 0.000 0.914 969 E HN 0.405 nan 8.360 nan 0.000 0.498 970 T N 0.100 114.573 114.554 -0.134 0.000 2.797 970 T HA 0.117 4.483 4.350 0.026 0.000 0.279 970 T C 0.990 175.592 174.700 -0.162 0.000 0.991 970 T CA -0.493 61.527 62.100 -0.134 0.000 0.979 970 T CB 1.709 70.462 68.868 -0.193 0.000 0.943 970 T HN 0.018 nan 8.240 nan 0.000 0.444 971 S N 1.708 117.413 115.700 0.008 0.000 2.486 971 S HA 0.111 4.596 4.470 0.026 0.000 0.220 971 S C 0.237 174.924 174.600 0.146 0.000 1.011 971 S CA 0.177 58.475 58.200 0.164 0.000 0.921 971 S CB -0.174 63.273 63.200 0.412 0.000 0.785 971 S HN 0.730 nan 8.310 nan 0.000 0.517 972 H N 0.810 119.896 119.070 0.026 0.000 2.759 972 H HA 0.489 5.061 4.556 0.026 0.000 0.354 972 H C 0.941 176.250 175.328 -0.033 0.000 1.074 972 H CA -0.805 55.312 56.048 0.115 0.000 1.226 972 H CB 1.507 31.339 29.762 0.117 0.000 1.648 972 H HN 0.133 nan 8.280 nan 0.000 0.529 973 R N 2.105 122.713 120.500 0.180 0.000 2.127 973 R HA -0.189 4.166 4.340 0.026 0.000 0.238 973 R C 1.188 177.501 176.300 0.021 0.000 1.134 973 R CA 1.908 58.049 56.100 0.067 0.000 0.975 973 R CB -0.485 29.903 30.300 0.147 0.000 0.865 973 R HN 0.774 nan 8.270 nan 0.000 0.447 974 H N 0.991 120.077 119.070 0.026 0.000 2.543 974 H HA 0.006 4.577 4.556 0.026 0.000 0.286 974 H C 1.443 176.700 175.328 -0.118 0.000 1.037 974 H CA 0.854 56.876 56.048 -0.044 0.000 1.250 974 H CB -0.161 29.569 29.762 -0.053 0.000 1.373 974 H HN 0.330 nan 8.280 nan 0.000 0.580 975 L N 0.749 121.605 121.223 -0.611 0.000 2.607 975 L HA 0.221 4.576 4.340 0.026 0.000 0.228 975 L C 0.678 177.411 176.870 -0.228 0.000 1.123 975 L CA -0.182 54.368 54.840 -0.482 0.000 0.890 975 L CB 0.195 41.933 42.059 -0.535 0.000 1.103 975 L HN 0.042 nan 8.230 nan 0.000 0.468 976 L N 0.852 121.929 121.223 -0.243 0.000 2.439 976 L HA 0.122 4.478 4.340 0.026 0.000 0.269 976 L C 0.155 176.977 176.870 -0.079 0.000 1.179 976 L CA -0.011 54.652 54.840 -0.294 0.000 0.828 976 L CB 0.319 41.963 42.059 -0.693 0.000 1.106 976 L HN 0.198 nan 8.230 nan 0.000 0.467 977 H N 1.509 120.591 119.070 0.022 0.000 2.679 977 H HA 0.584 5.155 4.556 0.026 0.000 0.360 977 H C -0.848 174.616 175.328 0.227 0.000 1.105 977 H CA -1.228 54.883 56.048 0.104 0.000 1.196 977 H CB 1.301 31.077 29.762 0.024 0.000 1.636 977 H HN 0.678 nan 8.280 nan 0.000 0.531 978 A N 3.625 126.562 122.820 0.195 0.000 2.520 978 A HA 0.106 4.442 4.320 0.026 0.000 0.245 978 A C 0.336 177.952 177.584 0.053 0.000 1.072 978 A CA -0.139 51.865 52.037 -0.054 0.000 0.761 978 A CB -0.025 18.933 19.000 -0.070 0.000 1.004 978 A HN 0.841 nan 8.150 nan 0.000 0.499 979 E N 0.889 121.089 120.200 0.001 0.000 2.322 979 E HA 0.227 4.592 4.350 0.026 0.000 0.257 979 E C -0.009 176.630 176.600 0.066 0.000 1.155 979 E CA -0.746 55.735 56.400 0.135 0.000 0.936 979 E CB 0.720 30.580 29.700 0.266 0.000 1.130 979 E HN 0.795 nan 8.360 nan 0.000 0.465 980 E N 0.386 120.624 120.200 0.064 0.000 2.392 980 E HA 0.193 4.558 4.350 0.026 0.000 0.264 980 E C 0.353 176.912 176.600 -0.069 0.000 1.024 980 E CA 0.585 56.983 56.400 -0.003 0.000 0.903 980 E CB 0.371 30.068 29.700 -0.004 0.000 0.963 980 E HN 0.666 nan 8.360 nan 0.000 0.432 981 G N 2.944 111.703 108.800 -0.069 0.000 2.598 981 G HA2 -0.234 3.742 3.960 0.026 0.000 0.244 981 G HA3 -0.234 3.742 3.960 0.026 0.000 0.244 981 G C -0.628 174.200 174.900 -0.120 0.000 1.302 981 G CA -0.058 44.982 45.100 -0.101 0.000 0.903 981 G HN 0.649 nan 8.290 nan 0.000 0.575 982 T N 0.062 114.513 114.554 -0.172 0.000 2.928 982 T HA 0.494 4.860 4.350 0.026 0.000 0.296 982 T C -0.884 173.640 174.700 -0.295 0.000 1.000 982 T CA -0.206 61.801 62.100 -0.154 0.000 0.989 982 T CB 1.401 70.263 68.868 -0.011 0.000 1.005 982 T HN 0.580 nan 8.240 nan 0.000 0.442 983 W N 3.275 124.480 121.300 -0.158 0.000 2.335 983 W HA 0.590 5.266 4.660 0.026 0.000 0.306 983 W C -0.286 176.101 176.519 -0.219 0.000 1.216 983 W CA -0.658 56.591 57.345 -0.160 0.000 1.237 983 W CB 0.679 30.055 29.460 -0.140 0.000 1.243 983 W HN 0.342 nan 8.180 nan 0.000 0.493 984 L N 5.805 127.007 121.223 -0.035 0.000 2.333 984 L HA 0.503 4.858 4.340 0.026 0.000 0.280 984 L C -0.920 175.854 176.870 -0.160 0.000 1.004 984 L CA -0.589 54.121 54.840 -0.217 0.000 0.820 984 L CB 0.801 42.597 42.059 -0.438 0.000 1.247 984 L HN 0.317 nan 8.230 nan 0.000 0.416 985 N N 6.950 125.546 118.700 -0.173 0.000 2.443 985 N HA 0.451 5.207 4.740 0.026 0.000 0.269 985 N C -1.163 174.210 175.510 -0.228 0.000 0.985 985 N CA -0.256 52.692 53.050 -0.171 0.000 0.921 985 N CB 2.247 40.660 38.487 -0.123 0.000 1.195 985 N HN 0.548 nan 8.380 nan 0.000 0.492 986 I N 1.986 122.374 120.570 -0.303 0.000 2.382 986 I HA 0.220 4.406 4.170 0.026 0.000 0.285 986 I C -0.618 175.319 176.117 -0.300 0.000 1.007 986 I CA -0.571 60.516 61.300 -0.355 0.000 1.142 986 I CB 1.382 38.999 38.000 -0.638 0.000 1.289 986 I HN 0.165 nan 8.210 nan 0.000 0.453 987 D N 4.725 124.986 120.400 -0.232 0.000 2.217 987 D HA 0.263 4.919 4.640 0.026 0.000 0.243 987 D C 1.008 177.012 176.300 -0.495 0.000 1.054 987 D CA -0.227 53.568 54.000 -0.342 0.000 0.838 987 D CB 2.510 43.208 40.800 -0.171 0.000 1.162 987 D HN 0.679 nan 8.370 nan 0.000 0.472 988 G N 1.284 109.480 108.800 -1.007 0.000 2.394 988 G HA2 -0.040 3.935 3.960 0.026 0.000 0.215 988 G HA3 -0.040 3.935 3.960 0.026 0.000 0.215 988 G C 0.113 174.236 174.900 -1.296 0.000 1.165 988 G CA 0.608 44.955 45.100 -1.254 0.000 0.784 988 G HN 0.385 nan 8.290 nan 0.000 0.535 989 F N -2.075 117.680 119.950 -0.326 0.000 2.601 989 F HA 0.601 5.144 4.527 0.026 0.000 0.309 989 F C -0.517 175.186 175.800 -0.163 0.000 1.089 989 F CA -1.161 56.729 58.000 -0.183 0.000 0.940 989 F CB 2.164 40.985 39.000 -0.299 0.000 1.273 989 F HN 0.044 nan 8.300 nan 0.000 0.450 990 H N 1.956 121.037 119.070 0.018 0.000 2.771 990 H HA 0.542 5.114 4.556 0.026 0.000 0.361 990 H C -0.786 174.568 175.328 0.043 0.000 1.108 990 H CA -0.901 55.131 56.048 -0.027 0.000 1.201 990 H CB 1.839 31.566 29.762 -0.060 0.000 1.681 990 H HN 0.776 nan 8.280 nan 0.000 0.534 991 M N 3.429 122.952 119.600 -0.128 0.000 2.240 991 M HA 0.306 4.802 4.480 0.026 0.000 0.333 991 M C 0.425 176.836 176.300 0.185 0.000 1.110 991 M CA 0.246 55.563 55.300 0.029 0.000 1.173 991 M CB 0.413 32.940 32.600 -0.122 0.000 1.458 991 M HN 0.832 nan 8.290 nan 0.000 0.458 992 G N 2.657 111.550 108.800 0.156 0.000 2.664 992 G HA2 0.269 4.244 3.960 0.026 0.000 0.242 992 G HA3 0.269 4.244 3.960 0.026 0.000 0.242 992 G C 0.588 175.473 174.900 -0.026 0.000 1.225 992 G CA -0.367 44.755 45.100 0.037 0.000 0.849 992 G HN 0.977 nan 8.290 nan 0.000 0.581 993 I N -1.282 119.223 120.570 -0.109 0.000 3.645 993 I HA 0.400 4.586 4.170 0.026 0.000 0.300 993 I C 1.228 177.271 176.117 -0.125 0.000 1.260 993 I CA 0.408 61.604 61.300 -0.174 0.000 1.365 993 I CB -0.588 37.204 38.000 -0.347 0.000 1.077 993 I HN 0.923 nan 8.210 nan 0.000 0.439 994 G N 1.675 110.426 108.800 -0.082 0.000 2.645 994 G HA2 0.008 3.984 3.960 0.026 0.000 0.246 994 G HA3 0.008 3.984 3.960 0.026 0.000 0.246 994 G C 0.577 175.463 174.900 -0.023 0.000 1.322 994 G CA 0.181 45.269 45.100 -0.020 0.000 0.898 994 G HN 1.377 nan 8.290 nan 0.000 0.573 995 G N -2.446 106.356 108.800 0.003 0.000 2.559 995 G HA2 0.013 3.989 3.960 0.026 0.000 0.202 995 G HA3 0.013 3.989 3.960 0.026 0.000 0.202 995 G C 0.649 175.598 174.900 0.081 0.000 0.992 995 G CA 0.918 46.026 45.100 0.013 0.000 0.764 995 G HN 0.956 nan 8.290 nan 0.000 0.525 996 D N 1.249 121.722 120.400 0.121 0.000 2.158 996 D HA 0.073 4.728 4.640 0.026 0.000 0.197 996 D C 1.043 177.385 176.300 0.070 0.000 0.995 996 D CA 2.121 56.258 54.000 0.227 0.000 0.846 996 D CB 0.120 41.060 40.800 0.234 0.000 0.941 996 D HN 0.811 nan 8.370 nan 0.000 0.456 997 D N -3.309 116.928 120.400 -0.272 0.000 2.596 997 D HA 0.358 5.014 4.640 0.026 0.000 0.262 997 D C -0.757 175.024 176.300 -0.865 0.000 1.210 997 D CA -0.751 52.668 54.000 -0.968 0.000 0.873 997 D CB 1.061 40.777 40.800 -1.807 0.000 1.408 997 D HN -0.312 nan 8.370 nan 0.000 0.441 998 S N -0.456 114.560 115.700 -1.140 0.000 2.588 998 S HA 0.232 4.717 4.470 0.026 0.000 0.245 998 S C -0.554 174.055 174.600 0.015 0.000 1.021 998 S CA -0.680 57.360 58.200 -0.266 0.000 1.006 998 S CB -0.544 62.757 63.200 0.168 0.000 0.830 998 S HN 0.633 nan 8.310 nan 0.000 0.468 999 W N 0.811 122.061 121.300 -0.084 0.000 2.304 999 W HA 0.516 5.190 4.660 0.024 0.000 0.326 999 W C 0.042 176.513 176.519 -0.080 0.000 0.920 999 W CA -0.452 56.838 57.345 -0.091 0.000 1.518 999 W CB -0.511 28.814 29.460 -0.226 0.000 1.112 999 W HN 0.178 nan 8.180 nan 0.000 0.528 1000 S N -1.064 114.523 115.700 -0.188 0.000 2.579 1000 S HA 0.663 5.148 4.470 0.026 0.000 0.272 1000 S C -3.120 171.424 174.600 -0.094 0.000 1.141 1000 S CA -1.677 56.468 58.200 -0.091 0.000 0.843 1000 S CB 1.821 64.998 63.200 -0.039 0.000 1.122 1000 S HN -0.253 nan 8.310 nan 0.000 0.468 1001 P HA 0.207 nan 4.420 nan 0.000 0.264 1001 P C 0.307 177.653 177.300 0.077 0.000 1.193 1001 P CA -0.008 63.109 63.100 0.030 0.000 0.763 1001 P CB 0.722 32.337 31.700 -0.143 0.000 0.810 1002 S N 0.468 116.251 115.700 0.139 0.000 2.847 1002 S HA 0.136 4.622 4.470 0.026 0.000 0.254 1002 S C 0.173 174.859 174.600 0.143 0.000 1.039 1002 S CA -0.303 57.952 58.200 0.092 0.000 1.113 1002 S CB -0.268 62.937 63.200 0.008 0.000 1.092 1002 S HN 0.106 nan 8.310 nan 0.000 0.620 1003 V N 2.909 122.953 119.914 0.217 0.000 2.455 1003 V HA 0.379 4.515 4.120 0.026 0.000 0.273 1003 V C 0.802 177.048 176.094 0.254 0.000 1.045 1003 V CA -0.239 62.177 62.300 0.192 0.000 0.976 1003 V CB 0.904 32.784 31.823 0.095 0.000 0.993 1003 V HN 0.515 nan 8.190 nan 0.000 0.475 1004 S N 4.038 119.898 115.700 0.268 0.000 2.579 1004 S HA 0.320 4.805 4.470 0.026 0.000 0.275 1004 S C 1.554 176.292 174.600 0.230 0.000 1.345 1004 S CA 0.064 58.412 58.200 0.246 0.000 1.031 1004 S CB 1.181 64.548 63.200 0.278 0.000 0.892 1004 S HN 0.985 nan 8.310 nan 0.000 0.529 1005 A N 3.243 126.155 122.820 0.154 0.000 1.986 1005 A HA -0.146 4.189 4.320 0.026 0.000 0.220 1005 A C 2.000 179.607 177.584 0.038 0.000 1.171 1005 A CA 1.855 53.967 52.037 0.125 0.000 0.640 1005 A CB -0.647 18.408 19.000 0.091 0.000 0.811 1005 A HN 0.948 nan 8.150 nan 0.000 0.451 1006 E N -0.895 119.261 120.200 -0.073 0.000 2.409 1006 E HA -0.114 4.251 4.350 0.026 0.000 0.198 1006 E C 0.691 177.025 176.600 -0.443 0.000 1.024 1006 E CA 0.724 56.954 56.400 -0.283 0.000 0.861 1006 E CB -0.450 28.999 29.700 -0.418 0.000 0.788 1006 E HN 0.684 nan 8.360 nan 0.000 0.521 1007 F N 1.112 121.111 119.950 0.082 0.000 2.654 1007 F HA 0.278 4.820 4.527 0.025 0.000 0.303 1007 F C 0.778 176.615 175.800 0.063 0.000 1.099 1007 F CA -0.541 57.509 58.000 0.082 0.000 1.270 1007 F CB 0.578 39.627 39.000 0.081 0.000 1.024 1007 F HN -0.195 nan 8.300 nan 0.000 0.548 1008 Q N 1.175 121.077 119.800 0.170 0.000 2.230 1008 Q HA 0.421 4.776 4.340 0.026 0.000 0.248 1008 Q C -0.263 175.770 176.000 0.055 0.000 0.915 1008 Q CA -0.498 55.386 55.803 0.135 0.000 0.900 1008 Q CB 1.884 30.790 28.738 0.279 0.000 1.229 1008 Q HN 0.252 nan 8.270 nan 0.000 0.439 1009 L N 2.458 123.705 121.223 0.041 0.000 2.389 1009 L HA 0.139 4.495 4.340 0.026 0.000 0.265 1009 L C 0.506 177.351 176.870 -0.043 0.000 1.167 1009 L CA -0.095 54.761 54.840 0.027 0.000 1.045 1009 L CB -0.167 41.806 42.059 -0.142 0.000 1.351 1009 L HN 0.705 nan 8.230 nan 0.000 0.419 1010 S N -1.018 114.544 115.700 -0.231 0.000 2.554 1010 S HA 0.144 4.630 4.470 0.026 0.000 0.226 1010 S C 1.606 176.110 174.600 -0.159 0.000 0.980 1010 S CA 0.162 58.017 58.200 -0.576 0.000 0.939 1010 S CB 0.728 63.476 63.200 -0.754 0.000 0.832 1010 S HN 0.528 nan 8.310 nan 0.000 0.486 1011 A N 1.414 124.190 122.820 -0.074 0.000 2.121 1011 A HA 0.465 4.800 4.320 0.026 0.000 0.218 1011 A C 2.063 179.502 177.584 -0.240 0.000 1.154 1011 A CA 1.154 53.016 52.037 -0.291 0.000 0.679 1011 A CB -1.193 17.371 19.000 -0.726 0.000 0.795 1011 A HN 1.405 nan 8.150 nan 0.000 0.458 1012 G N -1.233 107.536 108.800 -0.050 0.000 2.900 1012 G HA2 -0.293 3.683 3.960 0.026 0.000 0.223 1012 G HA3 -0.293 3.683 3.960 0.026 0.000 0.223 1012 G C 0.450 175.352 174.900 0.003 0.000 1.293 1012 G CA 0.385 45.495 45.100 0.016 0.000 0.792 1012 G HN 0.673 nan 8.290 nan 0.000 0.527 1013 R N -0.301 120.086 120.500 -0.189 0.000 2.480 1013 R HA 0.696 5.051 4.340 0.026 0.000 0.306 1013 R C -1.508 174.567 176.300 -0.375 0.000 0.958 1013 R CA -0.532 55.495 56.100 -0.121 0.000 0.861 1013 R CB 1.449 31.706 30.300 -0.070 0.000 1.171 1013 R HN 0.297 nan 8.270 nan 0.000 0.445 1014 Y N 0.453 120.750 120.300 -0.004 0.000 2.499 1014 Y HA 0.357 4.923 4.550 0.026 0.000 0.347 1014 Y C -0.402 175.645 175.900 0.246 0.000 0.987 1014 Y CA -0.784 57.281 58.100 -0.059 0.000 1.044 1014 Y CB 2.170 40.469 38.460 -0.267 0.000 1.245 1014 Y HN 0.578 nan 8.280 nan 0.000 0.461 1015 H N 2.619 121.959 119.070 0.451 0.000 2.717 1015 H HA 0.609 5.180 4.556 0.026 0.000 0.366 1015 H C -1.738 173.980 175.328 0.649 0.000 1.132 1015 H CA -0.904 55.397 56.048 0.422 0.000 1.180 1015 H CB 1.270 31.176 29.762 0.240 0.000 1.678 1015 H HN 0.577 nan 8.280 nan 0.000 0.537 1016 Y N 1.597 121.734 120.300 -0.272 0.000 2.609 1016 Y HA 0.419 4.984 4.550 0.026 0.000 0.336 1016 Y C -1.935 173.770 175.900 -0.326 0.000 1.129 1016 Y CA -1.137 56.861 58.100 -0.168 0.000 1.040 1016 Y CB 1.477 39.919 38.460 -0.030 0.000 1.310 1016 Y HN 0.759 nan 8.280 nan 0.000 0.460 1017 Q N 3.056 122.853 119.800 -0.005 0.000 2.289 1017 Q HA 0.712 5.067 4.340 0.026 0.000 0.270 1017 Q C -2.400 173.682 176.000 0.136 0.000 1.038 1017 Q CA -0.904 54.885 55.803 -0.023 0.000 0.812 1017 Q CB 2.907 31.650 28.738 0.008 0.000 1.300 1017 Q HN 0.923 nan 8.270 nan 0.000 0.427 1018 L N 1.946 123.231 121.223 0.104 0.000 2.381 1018 L HA 0.714 5.070 4.340 0.026 0.000 0.268 1018 L C -0.819 176.160 176.870 0.181 0.000 0.997 1018 L CA -1.252 53.682 54.840 0.157 0.000 0.818 1018 L CB 2.469 44.595 42.059 0.111 0.000 1.310 1018 L HN 0.487 nan 8.230 nan 0.000 0.416 1019 V N 1.294 121.340 119.914 0.220 0.000 2.417 1019 V HA 0.388 4.524 4.120 0.026 0.000 0.291 1019 V C -1.100 175.166 176.094 0.287 0.000 1.024 1019 V CA -0.428 62.010 62.300 0.230 0.000 0.861 1019 V CB 1.974 33.909 31.823 0.186 0.000 0.985 1019 V HN 0.599 nan 8.190 nan 0.000 0.436 1020 W N 6.893 128.261 121.300 0.112 0.000 2.475 1020 W HA 0.701 5.376 4.660 0.026 0.000 0.317 1020 W C -0.243 176.281 176.519 0.009 0.000 1.046 1020 W CA -1.035 56.302 57.345 -0.013 0.000 1.215 1020 W CB 1.469 30.978 29.460 0.082 0.000 1.335 1020 W HN 0.871 nan 8.180 nan 0.000 0.471 1021 C N 3.547 123.070 119.300 0.371 0.000 3.340 1021 C HA 0.607 5.082 4.460 0.026 0.000 0.333 1021 C C -0.390 174.703 174.990 0.172 0.000 1.464 1021 C CA -0.831 58.345 59.018 0.265 0.000 1.337 1021 C CB 1.574 29.417 27.740 0.172 0.000 1.740 1021 C HN 0.677 nan 8.230 nan 0.000 0.450 1022 Q N 0.968 120.825 119.800 0.094 0.000 2.256 1022 Q HA 0.430 4.786 4.340 0.026 0.000 0.232 1022 Q C -0.225 175.763 176.000 -0.019 0.000 0.965 1022 Q CA -0.282 55.522 55.803 0.002 0.000 0.908 1022 Q CB 1.114 29.841 28.738 -0.018 0.000 1.209 1022 Q HN 0.581 nan 8.270 nan 0.000 0.489 1023 K N 0.000 120.363 120.400 -0.061 0.000 2.780 1023 K HA 0.000 4.335 4.320 0.026 0.000 0.191 1023 K CA 0.000 56.262 56.287 -0.041 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