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 1f4a_1_B DATA FIRST_RESID 3 DATA SEQUENCE ITDSLAVVLQ RRDWENPGVT QLNRLAAHPP FASWRNSEEA RTDRPSQQLR DATA SEQUENCE SLNGEWRFAW FPAPEAVPES WLECDLPEAD TVVVPSNWQM HGYDAPIYTN DATA SEQUENCE VTYPITVNPP FVPTENPTGC YSLTFNVDES WLQEGQTRII FDGVNSAFHL DATA SEQUENCE WCNGRWVGYG QDSRLPSEFD LSAFLRAGEN RLAVMVLRWS DGSYLEDQDM DATA SEQUENCE WRMSGIFRDV SLLHKPTTQI SDFHVATRFN DDFSRAVLEA EVQMCGELRD DATA SEQUENCE YLRVTVSLWQ GETQVASGTA PFGGEIIDER GGYADRVTLR LNVENPKLWS DATA SEQUENCE AEIPNLYRAV VELHTADGTL IEAEACDVGF REVRIENGLL LLNGKPLLIR DATA SEQUENCE GVNRHEHHPL HGQVMDEQTM VQDILLMKQN NFNAVRCSHY PNHPLWYTLC DATA SEQUENCE DRYGLYVVDE ANIETHGMVP MNRLTDDPRW LPAMSERVTR MVQRDRNHPS DATA SEQUENCE VIIWSLGNES GHGANHDALY RWIKSVDPSR PVQYEGGGAD TTATDIICPM DATA SEQUENCE YARVDEDQPF PAVPKWSIKK WLSLPGETRP LILCEYAHAM GNSLGGFAKY DATA SEQUENCE WQAFRQYPRL QGGFVWDWVD QSLIKYDENG NPWSAYGGDF GDTPNDRQFC DATA SEQUENCE MNGLVFADRT PHPALTEAKH QQQFFQFRLS GQTIEVTSEY LFRHSDNELL DATA SEQUENCE HWMVALDGKP LASGEVPLDV APQGKQLIEL PELPQPESAG QLWLTVRVVQ DATA SEQUENCE PNATAWSEAG HISAWQQWRL AENLSVTLPA ASHAIPHLTT SEMDFCIELG DATA SEQUENCE NKRWQFNRQS GFLSQMWIGD KKQLLTPLRD QFTRAPLDND IGVSEATRID DATA SEQUENCE PNAWVERWKA AGHYQAEAAL LQCTADTLAD AVLITTAHAW QHQGKTLFIS DATA SEQUENCE RKTYRIDGSG QMAITVDVEV ASDTPHPARI GLNCQLAQVA ERVNWLGLGP DATA SEQUENCE QENYPDRLTA ACFDRWDLPL SDMYTPYVFP SENGLRCGTR ELNYGPHQWR DATA SEQUENCE GDFQFNISRY SQQQLMETSH RHLLHAEEGT WLNIDGFHMG IGGDDSWSPS DATA SEQUENCE VSAEFQLSAG RYHYQLVWCQ K VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 3 I HA 0.000 nan 4.170 nan 0.000 0.288 3 I C 0.000 176.140 176.117 0.039 0.000 1.063 3 I CA 0.000 61.324 61.300 0.040 0.000 1.566 3 I CB 0.000 38.017 38.000 0.028 0.000 1.214 4 T N -1.672 112.909 114.554 0.045 0.000 3.169 4 T HA 0.253 4.616 4.350 0.021 0.000 0.250 4 T C 0.602 175.329 174.700 0.045 0.000 1.111 4 T CA 0.894 63.006 62.100 0.020 0.000 1.010 4 T CB -0.462 68.418 68.868 0.020 0.000 0.984 4 T HN 0.366 nan 8.240 nan 0.000 0.537 5 D N 1.625 122.105 120.400 0.134 0.000 2.407 5 D HA 0.116 4.769 4.640 0.021 0.000 0.208 5 D C 0.866 177.359 176.300 0.322 0.000 1.083 5 D CA 0.039 54.228 54.000 0.315 0.000 0.844 5 D CB 0.381 41.409 40.800 0.381 0.000 0.967 5 D HN 0.563 nan 8.370 nan 0.000 0.506 6 S N 0.336 116.115 115.700 0.131 0.000 2.560 6 S HA 0.077 4.560 4.470 0.021 0.000 0.284 6 S C 1.715 176.363 174.600 0.080 0.000 1.327 6 S CA -0.460 57.775 58.200 0.058 0.000 1.055 6 S CB 1.017 64.228 63.200 0.018 0.000 0.868 6 S HN 0.099 nan 8.310 nan 0.000 0.506 7 L N 2.438 123.673 121.223 0.020 0.000 1.997 7 L HA -0.234 4.119 4.340 0.021 0.000 0.216 7 L C 3.104 179.997 176.870 0.038 0.000 1.074 7 L CA 1.944 56.810 54.840 0.042 0.000 0.763 7 L CB -1.387 40.648 42.059 -0.040 0.000 0.890 7 L HN 0.968 nan 8.230 nan 0.000 0.434 8 A N -0.540 122.285 122.820 0.009 0.000 1.927 8 A HA -0.212 4.121 4.320 0.021 0.000 0.220 8 A C 2.339 179.920 177.584 -0.005 0.000 1.185 8 A CA 2.402 54.442 52.037 0.005 0.000 0.639 8 A CB -0.918 18.080 19.000 -0.003 0.000 0.820 8 A HN 0.241 nan 8.150 nan 0.000 0.451 9 V N -0.956 118.947 119.914 -0.019 0.000 2.273 9 V HA -0.173 3.960 4.120 0.021 0.000 0.242 9 V C 2.537 178.564 176.094 -0.113 0.000 1.035 9 V CA 1.620 63.885 62.300 -0.057 0.000 1.013 9 V CB -0.621 31.169 31.823 -0.056 0.000 0.652 9 V HN 0.368 nan 8.190 nan 0.000 0.452 10 V N 0.353 120.173 119.914 -0.157 0.000 2.220 10 V HA -0.351 3.782 4.120 0.021 0.000 0.250 10 V C 2.339 178.334 176.094 -0.165 0.000 1.053 10 V CA 2.566 64.668 62.300 -0.329 0.000 1.019 10 V CB -0.743 30.878 31.823 -0.337 0.000 0.646 10 V HN 0.468 nan 8.190 nan 0.000 0.455 11 L N 0.251 121.479 121.223 0.007 0.000 2.357 11 L HA -0.279 4.074 4.340 0.021 0.000 0.220 11 L C 2.608 179.579 176.870 0.167 0.000 1.123 11 L CA 1.954 56.938 54.840 0.240 0.000 0.782 11 L CB -0.872 41.343 42.059 0.261 0.000 0.910 11 L HN 0.597 nan 8.230 nan 0.000 0.442 12 Q N 0.609 120.422 119.800 0.022 0.000 2.084 12 Q HA -0.199 4.153 4.340 0.021 0.000 0.202 12 Q C 2.214 178.157 176.000 -0.094 0.000 0.978 12 Q CA 1.498 57.285 55.803 -0.025 0.000 0.844 12 Q CB -0.197 28.513 28.738 -0.048 0.000 0.898 12 Q HN 0.198 nan 8.270 nan 0.000 0.426 13 R N 0.515 120.937 120.500 -0.130 0.000 2.237 13 R HA 0.044 4.397 4.340 0.021 0.000 0.219 13 R C 0.130 176.249 176.300 -0.302 0.000 1.080 13 R CA 0.858 56.848 56.100 -0.183 0.000 0.995 13 R CB -0.230 29.962 30.300 -0.181 0.000 0.875 13 R HN 0.412 nan 8.270 nan 0.000 0.462 14 R N 1.154 121.375 120.500 -0.465 0.000 3.188 14 R HA -0.149 4.204 4.340 0.021 0.000 0.247 14 R C -0.055 175.740 176.300 -0.842 0.000 0.918 14 R CA 0.578 55.994 56.100 -1.140 0.000 0.629 14 R CB -1.288 28.443 30.300 -0.949 0.000 1.087 14 R HN 0.336 nan 8.270 nan 0.000 0.462 15 D N -0.112 119.990 120.400 -0.497 0.000 2.221 15 D HA -0.187 4.465 4.640 0.021 0.000 0.204 15 D C 1.616 177.816 176.300 -0.166 0.000 0.982 15 D CA 1.801 55.568 54.000 -0.388 0.000 0.857 15 D CB -0.120 40.299 40.800 -0.636 0.000 0.934 15 D HN 0.747 nan 8.370 nan 0.000 0.475 16 W N 1.379 122.677 121.300 -0.004 0.000 3.204 16 W HA 0.207 4.879 4.660 0.021 0.000 0.249 16 W C 0.591 177.209 176.519 0.164 0.000 1.322 16 W CA -0.295 57.174 57.345 0.207 0.000 1.593 16 W CB -0.190 29.431 29.460 0.268 0.000 1.122 16 W HN -0.212 nan 8.180 nan 0.000 0.710 17 E N 1.280 121.304 120.200 -0.293 0.000 3.385 17 E HA 0.056 4.418 4.350 0.021 0.000 0.206 17 E C -0.879 175.583 176.600 -0.230 0.000 0.997 17 E CA -0.244 56.037 56.400 -0.198 0.000 1.278 17 E CB -0.244 29.313 29.700 -0.238 0.000 1.165 17 E HN 0.068 nan 8.360 nan 0.000 0.452 18 N N 0.585 119.188 118.700 -0.162 0.000 2.812 18 N HA 0.092 4.845 4.740 0.021 0.000 0.262 18 N C -2.504 172.889 175.510 -0.196 0.000 1.241 18 N CA -1.488 51.433 53.050 -0.214 0.000 0.854 18 N CB 1.287 39.647 38.487 -0.211 0.000 1.506 18 N HN -0.180 nan 8.380 nan 0.000 0.576 19 P HA 0.079 nan 4.420 nan 0.000 0.231 19 P C 1.027 178.090 177.300 -0.395 0.000 1.158 19 P CA 0.684 63.485 63.100 -0.499 0.000 0.763 19 P CB 0.074 31.040 31.700 -1.224 0.000 0.805 20 G N -0.766 107.851 108.800 -0.306 0.000 2.880 20 G HA2 0.111 4.083 3.960 0.021 0.000 0.209 20 G HA3 0.111 4.083 3.960 0.021 0.000 0.209 20 G C 0.141 174.964 174.900 -0.128 0.000 1.157 20 G CA 0.144 45.112 45.100 -0.220 0.000 0.779 20 G HN 0.212 nan 8.290 nan 0.000 0.539 21 V N 1.622 121.483 119.914 -0.088 0.000 2.357 21 V HA 0.280 4.413 4.120 0.021 0.000 0.281 21 V C 0.821 176.972 176.094 0.095 0.000 1.015 21 V CA 0.049 62.348 62.300 -0.001 0.000 0.827 21 V CB 1.316 33.128 31.823 -0.019 0.000 1.018 21 V HN 0.326 nan 8.190 nan 0.000 0.432 22 T N 0.906 115.501 114.554 0.068 0.000 2.990 22 T HA 0.313 4.675 4.350 0.021 0.000 0.250 22 T C 0.310 175.033 174.700 0.039 0.000 1.041 22 T CA 0.137 62.272 62.100 0.057 0.000 1.010 22 T CB 0.346 69.206 68.868 -0.013 0.000 1.003 22 T HN 0.669 nan 8.240 nan 0.000 0.499 23 Q N 0.115 119.978 119.800 0.105 0.000 2.633 23 Q HA 0.700 5.052 4.340 0.021 0.000 0.289 23 Q C -2.352 173.755 176.000 0.180 0.000 0.940 23 Q CA -1.177 54.681 55.803 0.091 0.000 0.785 23 Q CB 0.901 29.623 28.738 -0.026 0.000 1.467 23 Q HN 0.025 nan 8.270 nan 0.000 0.401 24 L N 2.546 123.900 121.223 0.218 0.000 2.482 24 L HA 0.550 4.903 4.340 0.021 0.000 0.269 24 L C -0.773 176.201 176.870 0.173 0.000 0.967 24 L CA -0.127 54.850 54.840 0.229 0.000 0.851 24 L CB 1.295 43.599 42.059 0.407 0.000 1.242 24 L HN 0.888 nan 8.230 nan 0.000 0.404 25 N N 1.233 120.009 118.700 0.126 0.000 2.782 25 N HA -0.219 4.534 4.740 0.021 0.000 0.251 25 N C 0.408 176.000 175.510 0.137 0.000 1.101 25 N CA 0.689 53.811 53.050 0.119 0.000 0.764 25 N CB -0.694 37.829 38.487 0.061 0.000 1.122 25 N HN 0.650 nan 8.380 nan 0.000 0.561 26 R N 0.980 121.466 120.500 -0.023 0.000 2.357 26 R HA 0.444 4.797 4.340 0.021 0.000 0.296 26 R C 0.681 176.849 176.300 -0.220 0.000 1.052 26 R CA -0.477 55.404 56.100 -0.365 0.000 0.988 26 R CB 0.633 30.697 30.300 -0.394 0.000 1.025 26 R HN 0.113 nan 8.270 nan 0.000 0.469 27 L N 2.843 123.916 121.223 -0.251 0.000 2.474 27 L HA 0.255 4.607 4.340 0.021 0.000 0.259 27 L C 0.805 177.629 176.870 -0.077 0.000 1.232 27 L CA -0.425 54.354 54.840 -0.102 0.000 0.821 27 L CB 0.386 42.414 42.059 -0.052 0.000 1.108 27 L HN 0.766 nan 8.230 nan 0.000 0.495 28 A N 0.854 123.668 122.820 -0.009 0.000 2.366 28 A HA 0.551 4.883 4.320 0.021 0.000 0.249 28 A C 0.210 177.827 177.584 0.056 0.000 1.084 28 A CA 0.022 52.065 52.037 0.010 0.000 0.794 28 A CB 0.296 19.322 19.000 0.044 0.000 1.034 28 A HN 0.794 nan 8.150 nan 0.000 0.491 29 A N 0.466 123.279 122.820 -0.011 0.000 2.304 29 A HA 0.722 5.054 4.320 0.021 0.000 0.271 29 A C 0.039 177.599 177.584 -0.039 0.000 1.091 29 A CA 0.431 52.405 52.037 -0.106 0.000 0.812 29 A CB -0.017 18.894 19.000 -0.149 0.000 1.056 29 A HN 1.873 nan 8.150 nan 0.000 0.489 30 H N -2.673 116.258 119.070 -0.231 0.000 2.904 30 H HA 0.562 5.131 4.556 0.021 0.000 0.290 30 H C -3.355 171.706 175.328 -0.445 0.000 1.437 30 H CA -1.702 54.154 56.048 -0.319 0.000 1.147 30 H CB 0.095 29.594 29.762 -0.439 0.000 1.824 30 H HN 0.401 nan 8.280 nan 0.000 0.505 31 P HA 0.188 nan 4.420 nan 0.000 0.272 31 P C -2.587 174.447 177.300 -0.444 0.000 1.240 31 P CA -1.396 61.464 63.100 -0.399 0.000 0.791 31 P CB -0.318 31.114 31.700 -0.447 0.000 0.978 32 P HA 0.070 nan 4.420 nan 0.000 0.263 32 P C -0.738 176.722 177.300 0.267 0.000 1.195 32 P CA 1.022 64.094 63.100 -0.047 0.000 0.762 32 P CB -0.080 31.657 31.700 0.061 0.000 0.799 33 F N 1.249 121.323 119.950 0.207 0.000 2.538 33 F HA 0.600 5.139 4.527 0.021 0.000 0.325 33 F C 1.011 176.782 175.800 -0.047 0.000 1.066 33 F CA -1.010 57.071 58.000 0.136 0.000 0.946 33 F CB 2.204 41.268 39.000 0.106 0.000 1.199 33 F HN 0.225 nan 8.300 nan 0.000 0.473 34 A N 0.364 123.168 122.820 -0.026 0.000 2.425 34 A HA 0.256 4.588 4.320 0.021 0.000 0.201 34 A C 0.644 177.965 177.584 -0.438 0.000 1.431 34 A CA 0.471 52.238 52.037 -0.450 0.000 1.066 34 A CB -0.017 18.188 19.000 -1.326 0.000 1.318 34 A HN 0.756 nan 8.150 nan 0.000 0.534 35 S N 0.150 115.695 115.700 -0.258 0.000 3.711 35 S HA -0.133 4.349 4.470 0.021 0.000 0.374 35 S C -0.088 174.450 174.600 -0.104 0.000 0.969 35 S CA 0.370 58.466 58.200 -0.173 0.000 1.198 35 S CB -1.618 61.462 63.200 -0.200 0.000 0.903 35 S HN 0.479 nan 8.310 nan 0.000 0.493 36 W N 1.814 123.104 121.300 -0.016 0.000 2.137 36 W HA 0.232 4.904 4.660 0.020 0.000 0.344 36 W C 1.465 177.975 176.519 -0.015 0.000 1.286 36 W CA -0.452 56.892 57.345 -0.001 0.000 1.240 36 W CB 0.248 29.707 29.460 -0.003 0.000 1.141 36 W HN 0.362 nan 8.180 nan 0.000 0.579 37 R N 1.297 121.944 120.500 0.245 0.000 2.543 37 R HA 0.065 4.418 4.340 0.021 0.000 0.323 37 R C -0.370 176.001 176.300 0.119 0.000 1.002 37 R CA -0.212 55.973 56.100 0.141 0.000 1.106 37 R CB -0.028 30.327 30.300 0.092 0.000 1.280 37 R HN 0.457 nan 8.270 nan 0.000 0.549 38 N N -0.328 118.456 118.700 0.140 0.000 2.454 38 N HA -0.015 4.737 4.740 0.021 0.000 0.291 38 N C 0.679 176.175 175.510 -0.023 0.000 1.079 38 N CA -0.138 52.945 53.050 0.055 0.000 0.893 38 N CB 1.944 40.458 38.487 0.045 0.000 1.512 38 N HN -0.132 nan 8.380 nan 0.000 0.497 39 S N 2.600 118.266 115.700 -0.056 0.000 2.387 39 S HA -0.202 4.280 4.470 0.021 0.000 0.230 39 S C 1.232 175.679 174.600 -0.254 0.000 1.035 39 S CA 1.297 59.417 58.200 -0.132 0.000 1.014 39 S CB -0.326 62.827 63.200 -0.079 0.000 0.836 39 S HN 0.697 nan 8.310 nan 0.000 0.466 40 E N 0.799 120.870 120.200 -0.214 0.000 2.106 40 E HA -0.103 4.259 4.350 0.021 0.000 0.192 40 E C 2.199 178.602 176.600 -0.328 0.000 0.984 40 E CA 1.112 57.345 56.400 -0.279 0.000 0.806 40 E CB -0.291 29.293 29.700 -0.194 0.000 0.750 40 E HN 0.756 nan 8.360 nan 0.000 0.458 41 E N 0.596 120.626 120.200 -0.283 0.000 2.077 41 E HA -0.155 4.208 4.350 0.021 0.000 0.193 41 E C 2.055 178.151 176.600 -0.841 0.000 0.989 41 E CA 0.887 57.100 56.400 -0.310 0.000 0.800 41 E CB -0.066 29.617 29.700 -0.028 0.000 0.746 41 E HN 0.162 nan 8.360 nan 0.000 0.452 42 A N 1.555 123.677 122.820 -1.164 0.000 1.877 42 A HA -0.219 4.114 4.320 0.021 0.000 0.216 42 A C 2.108 179.118 177.584 -0.956 0.000 1.186 42 A CA 1.583 52.578 52.037 -1.736 0.000 0.620 42 A CB -0.477 17.934 19.000 -0.982 0.000 0.822 42 A HN 0.082 nan 8.150 nan 0.000 0.443 43 R N -0.331 119.786 120.500 -0.639 0.000 2.096 43 R HA -0.121 4.232 4.340 0.021 0.000 0.235 43 R C 1.778 177.836 176.300 -0.403 0.000 1.127 43 R CA 1.948 57.727 56.100 -0.534 0.000 0.968 43 R CB -0.344 29.539 30.300 -0.695 0.000 0.861 43 R HN 0.635 nan 8.270 nan 0.000 0.440 44 T N -2.719 111.616 114.554 -0.364 0.000 3.122 44 T HA 0.077 4.439 4.350 0.021 0.000 0.250 44 T C 0.164 174.786 174.700 -0.131 0.000 1.067 44 T CA 0.289 62.260 62.100 -0.214 0.000 0.966 44 T CB 0.220 68.984 68.868 -0.173 0.000 1.002 44 T HN 0.283 nan 8.240 nan 0.000 0.542 45 D N 0.943 121.224 120.400 -0.197 0.000 2.870 45 D HA -0.159 4.494 4.640 0.021 0.000 0.228 45 D C 0.201 176.602 176.300 0.169 0.000 1.147 45 D CA 0.428 54.441 54.000 0.022 0.000 0.757 45 D CB -1.164 39.694 40.800 0.098 0.000 1.091 45 D HN 0.603 nan 8.370 nan 0.000 0.429 46 R N -0.154 120.417 120.500 0.118 0.000 2.738 46 R HA 0.489 4.842 4.340 0.021 0.000 0.275 46 R C -2.138 174.458 176.300 0.493 0.000 1.121 46 R CA -1.021 55.219 56.100 0.234 0.000 1.207 46 R CB 0.243 30.622 30.300 0.133 0.000 1.141 46 R HN 0.071 nan 8.270 nan 0.000 0.571 47 P HA 0.068 nan 4.420 nan 0.000 0.288 47 P C -1.108 176.303 177.300 0.184 0.000 1.267 47 P CA -0.260 62.986 63.100 0.244 0.000 0.815 47 P CB 1.588 33.373 31.700 0.142 0.000 0.989 48 S N 2.251 117.910 115.700 -0.069 0.000 2.465 48 S HA 0.060 4.542 4.470 0.021 0.000 0.279 48 S C 1.230 175.813 174.600 -0.028 0.000 1.201 48 S CA -0.456 57.622 58.200 -0.203 0.000 1.053 48 S CB 0.099 62.876 63.200 -0.706 0.000 0.953 48 S HN 0.248 nan 8.310 nan 0.000 0.488 49 Q N 3.385 123.222 119.800 0.061 0.000 2.364 49 Q HA -0.134 4.219 4.340 0.021 0.000 0.209 49 Q C 0.868 176.996 176.000 0.214 0.000 0.977 49 Q CA 1.099 56.978 55.803 0.127 0.000 0.885 49 Q CB -0.215 28.605 28.738 0.136 0.000 0.941 49 Q HN 0.742 nan 8.270 nan 0.000 0.464 50 Q N 0.176 120.049 119.800 0.121 0.000 2.444 50 Q HA 0.143 4.495 4.340 0.021 0.000 0.206 50 Q C -0.379 175.687 176.000 0.110 0.000 0.948 50 Q CA 0.228 56.095 55.803 0.106 0.000 0.946 50 Q CB 0.401 29.099 28.738 -0.067 0.000 1.027 50 Q HN 0.101 nan 8.270 nan 0.000 0.513 51 L N 0.451 121.748 121.223 0.124 0.000 2.406 51 L HA 0.442 4.794 4.340 0.021 0.000 0.270 51 L C -1.336 175.615 176.870 0.134 0.000 0.982 51 L CA -0.354 54.550 54.840 0.106 0.000 0.843 51 L CB 1.230 43.265 42.059 -0.039 0.000 1.225 51 L HN -0.135 nan 8.230 nan 0.000 0.412 52 R N 2.693 123.306 120.500 0.188 0.000 2.562 52 R HA 0.578 4.931 4.340 0.021 0.000 0.298 52 R C -0.640 175.685 176.300 0.043 0.000 0.961 52 R CA -0.707 55.458 56.100 0.107 0.000 0.881 52 R CB 2.097 32.445 30.300 0.081 0.000 1.159 52 R HN 0.644 nan 8.270 nan 0.000 0.450 53 S N 2.722 118.433 115.700 0.019 0.000 2.537 53 S HA 0.269 4.751 4.470 0.021 0.000 0.275 53 S C 0.670 175.267 174.600 -0.005 0.000 1.272 53 S CA -0.650 57.551 58.200 0.001 0.000 1.050 53 S CB 0.499 63.709 63.200 0.017 0.000 0.961 53 S HN 0.551 nan 8.310 nan 0.000 0.496 54 L N 3.807 125.024 121.223 -0.009 0.000 2.791 54 L HA 0.303 4.655 4.340 0.021 0.000 0.239 54 L C -0.023 176.997 176.870 0.249 0.000 1.203 54 L CA -0.398 54.470 54.840 0.045 0.000 1.002 54 L CB -0.563 41.481 42.059 -0.024 0.000 1.295 54 L HN 0.495 nan 8.230 nan 0.000 0.504 55 N N 1.361 120.142 118.700 0.134 0.000 2.530 55 N HA 0.561 5.314 4.740 0.021 0.000 0.273 55 N C 0.641 176.274 175.510 0.204 0.000 1.173 55 N CA 0.661 53.799 53.050 0.146 0.000 0.967 55 N CB 1.728 40.235 38.487 0.033 0.000 1.109 55 N HN 0.306 nan 8.380 nan 0.000 0.453 56 G N 0.668 109.627 108.800 0.265 0.000 2.470 56 G HA2 -0.056 3.917 3.960 0.021 0.000 0.145 56 G HA3 -0.056 3.917 3.960 0.021 0.000 0.145 56 G C -1.422 173.705 174.900 0.379 0.000 1.223 56 G CA -0.736 44.517 45.100 0.254 0.000 1.058 56 G HN 0.451 nan 8.290 nan 0.000 0.469 57 E N 0.122 120.513 120.200 0.318 0.000 2.194 57 E HA 0.477 4.840 4.350 0.021 0.000 0.284 57 E C -1.154 175.697 176.600 0.418 0.000 1.035 57 E CA -0.237 56.351 56.400 0.315 0.000 0.836 57 E CB 0.933 30.737 29.700 0.173 0.000 1.070 57 E HN 0.337 nan 8.360 nan 0.000 0.401 58 W N 1.745 123.139 121.300 0.158 0.000 2.929 58 W HA 0.416 5.089 4.660 0.021 0.000 0.345 58 W C -0.086 176.566 176.519 0.222 0.000 1.151 58 W CA -0.696 56.776 57.345 0.211 0.000 1.111 58 W CB 1.038 30.681 29.460 0.306 0.000 1.449 58 W HN 0.244 nan 8.180 nan 0.000 0.572 59 R N 1.577 122.357 120.500 0.467 0.000 2.407 59 R HA 0.627 4.980 4.340 0.021 0.000 0.303 59 R C -1.471 175.081 176.300 0.419 0.000 0.981 59 R CA -0.839 55.476 56.100 0.358 0.000 0.905 59 R CB 1.738 32.184 30.300 0.244 0.000 1.099 59 R HN 0.381 nan 8.270 nan 0.000 0.459 60 F N 0.922 120.923 119.950 0.084 0.000 2.588 60 F HA 0.672 5.212 4.527 0.021 0.000 0.310 60 F C -1.496 174.213 175.800 -0.152 0.000 1.082 60 F CA -0.628 57.287 58.000 -0.141 0.000 0.929 60 F CB 2.107 40.908 39.000 -0.332 0.000 1.254 60 F HN 0.615 nan 8.300 nan 0.000 0.455 61 A N 4.377 126.478 122.820 -1.200 0.000 2.459 61 A HA 0.511 4.844 4.320 0.021 0.000 0.296 61 A C -2.379 174.464 177.584 -1.234 0.000 1.039 61 A CA -0.485 51.019 52.037 -0.889 0.000 0.698 61 A CB 0.507 19.306 19.000 -0.335 0.000 1.261 61 A HN 0.949 nan 8.150 nan 0.000 0.405 62 W N 2.940 123.526 121.300 -1.191 0.000 2.438 62 W HA 0.759 5.432 4.660 0.021 0.000 0.324 62 W C -1.791 174.206 176.519 -0.869 0.000 1.119 62 W CA -0.251 56.540 57.345 -0.924 0.000 1.221 62 W CB 1.020 30.166 29.460 -0.524 0.000 1.253 62 W HN 0.488 nan 8.180 nan 0.000 0.555 63 F N 5.827 125.154 119.950 -1.038 0.000 2.588 63 F HA 0.337 4.877 4.527 0.021 0.000 0.310 63 F C -1.486 173.460 175.800 -1.423 0.000 1.082 63 F CA -2.635 54.855 58.000 -0.850 0.000 0.929 63 F CB 1.506 40.171 39.000 -0.558 0.000 1.254 63 F HN 0.185 nan 8.300 nan 0.000 0.455 64 P HA 0.144 nan 4.420 nan 0.000 0.237 64 P C -0.371 176.821 177.300 -0.180 0.000 1.178 64 P CA 0.768 63.619 63.100 -0.415 0.000 0.766 64 P CB 0.571 32.307 31.700 0.059 0.000 0.876 65 A N -0.564 122.156 122.820 -0.167 0.000 2.582 65 A HA 0.502 4.835 4.320 0.021 0.000 0.297 65 A C -2.423 175.070 177.584 -0.152 0.000 1.059 65 A CA -1.019 50.962 52.037 -0.092 0.000 0.705 65 A CB 0.516 19.523 19.000 0.012 0.000 1.279 65 A HN -0.292 nan 8.150 nan 0.000 0.404 66 P HA -0.228 nan 4.420 nan 0.000 0.216 66 P C 0.982 178.175 177.300 -0.177 0.000 1.150 66 P CA 1.952 64.907 63.100 -0.243 0.000 0.843 66 P CB 0.042 31.558 31.700 -0.307 0.000 0.787 67 E N 0.188 120.351 120.200 -0.063 0.000 2.265 67 E HA -0.105 4.258 4.350 0.021 0.000 0.196 67 E C 1.728 178.288 176.600 -0.066 0.000 0.996 67 E CA 1.273 57.659 56.400 -0.024 0.000 0.832 67 E CB -0.879 28.849 29.700 0.047 0.000 0.756 67 E HN 0.254 nan 8.360 nan 0.000 0.491 68 A N 1.588 124.356 122.820 -0.087 0.000 2.259 68 A HA 0.185 4.517 4.320 0.021 0.000 0.208 68 A C 0.963 178.412 177.584 -0.226 0.000 1.201 68 A CA -0.140 51.870 52.037 -0.044 0.000 0.824 68 A CB -0.010 19.047 19.000 0.096 0.000 0.838 68 A HN 0.028 nan 8.150 nan 0.000 0.485 69 V N 1.910 121.546 119.914 -0.462 0.000 2.607 69 V HA 0.293 4.426 4.120 0.021 0.000 0.289 69 V C -2.313 173.581 176.094 -0.334 0.000 1.053 69 V CA -1.439 60.410 62.300 -0.753 0.000 0.996 69 V CB 1.229 32.493 31.823 -0.931 0.000 0.995 69 V HN 0.301 nan 8.190 nan 0.000 0.476 70 P HA 0.404 nan 4.420 nan 0.000 0.300 70 P C 0.234 177.510 177.300 -0.041 0.000 1.326 70 P CA -0.584 62.465 63.100 -0.085 0.000 0.844 70 P CB 1.655 33.347 31.700 -0.012 0.000 0.992 71 E N 1.354 121.527 120.200 -0.045 0.000 2.233 71 E HA -0.241 4.122 4.350 0.021 0.000 0.199 71 E C 1.839 178.410 176.600 -0.047 0.000 1.004 71 E CA 1.900 58.266 56.400 -0.057 0.000 0.819 71 E CB -0.148 29.520 29.700 -0.053 0.000 0.738 71 E HN 0.477 nan 8.360 nan 0.000 0.478 72 S N -0.491 115.206 115.700 -0.005 0.000 2.387 72 S HA -0.236 4.247 4.470 0.021 0.000 0.230 72 S C 1.735 176.344 174.600 0.014 0.000 1.035 72 S CA 1.321 59.524 58.200 0.006 0.000 1.014 72 S CB -0.557 62.665 63.200 0.037 0.000 0.836 72 S HN 0.633 nan 8.310 nan 0.000 0.466 73 W N 1.976 123.184 121.300 -0.153 0.000 2.331 73 W HA -0.078 4.594 4.660 0.021 0.000 0.291 73 W C 1.693 178.097 176.519 -0.192 0.000 1.214 73 W CA 1.478 58.725 57.345 -0.163 0.000 1.228 73 W CB -0.579 28.748 29.460 -0.221 0.000 1.135 73 W HN 0.363 nan 8.180 nan 0.000 0.537 74 L N 0.090 121.065 121.223 -0.414 0.000 2.131 74 L HA -0.170 4.183 4.340 0.021 0.000 0.210 74 L C 2.278 178.896 176.870 -0.420 0.000 1.092 74 L CA 1.699 56.152 54.840 -0.646 0.000 0.759 74 L CB -0.690 41.003 42.059 -0.610 0.000 0.903 74 L HN -0.085 nan 8.230 nan 0.000 0.435 75 E N -1.839 118.211 120.200 -0.251 0.000 2.251 75 E HA 0.071 4.434 4.350 0.021 0.000 0.194 75 E C -0.189 176.336 176.600 -0.125 0.000 0.964 75 E CA 0.162 56.469 56.400 -0.154 0.000 0.868 75 E CB 0.625 30.270 29.700 -0.092 0.000 0.828 75 E HN 0.287 nan 8.360 nan 0.000 0.481 76 C N 0.307 119.542 119.300 -0.109 0.000 3.086 76 C HA 0.360 4.833 4.460 0.021 0.000 0.311 76 C C -0.857 174.133 174.990 -0.000 0.000 1.260 76 C CA -1.132 57.855 59.018 -0.053 0.000 1.426 76 C CB 0.828 28.557 27.740 -0.018 0.000 1.826 76 C HN 0.231 nan 8.230 nan 0.000 0.474 77 D N 1.144 121.561 120.400 0.028 0.000 2.300 77 D HA 0.280 4.932 4.640 0.021 0.000 0.235 77 D C -0.429 175.952 176.300 0.135 0.000 1.338 77 D CA 0.512 54.576 54.000 0.107 0.000 0.903 77 D CB 0.340 41.197 40.800 0.095 0.000 1.180 77 D HN 0.447 nan 8.370 nan 0.000 0.485 78 L N 0.948 122.264 121.223 0.156 0.000 2.385 78 L HA 0.197 4.549 4.340 0.021 0.000 0.273 78 L C -1.513 175.407 176.870 0.084 0.000 0.990 78 L CA -1.830 53.084 54.840 0.124 0.000 0.821 78 L CB 2.280 44.424 42.059 0.142 0.000 1.279 78 L HN 0.088 nan 8.230 nan 0.000 0.412 79 P HA -0.244 nan 4.420 nan 0.000 0.219 79 P C 0.566 177.890 177.300 0.040 0.000 1.158 79 P CA 1.622 64.749 63.100 0.044 0.000 0.895 79 P CB 0.275 31.996 31.700 0.035 0.000 0.792 80 E N -1.150 119.070 120.200 0.033 0.000 2.479 80 E HA 0.315 4.678 4.350 0.021 0.000 0.193 80 E C 0.722 177.337 176.600 0.025 0.000 1.049 80 E CA -0.093 56.318 56.400 0.019 0.000 0.870 80 E CB -0.571 29.124 29.700 -0.008 0.000 0.944 80 E HN 0.181 nan 8.360 nan 0.000 0.492 81 A N 1.296 124.144 122.820 0.046 0.000 2.477 81 A HA 0.240 4.573 4.320 0.021 0.000 0.246 81 A C -0.391 177.253 177.584 0.099 0.000 1.078 81 A CA -0.401 51.672 52.037 0.060 0.000 0.770 81 A CB 0.156 19.218 19.000 0.103 0.000 1.011 81 A HN 0.046 nan 8.150 nan 0.000 0.494 82 D N 0.108 120.596 120.400 0.147 0.000 2.437 82 D HA 0.528 5.181 4.640 0.021 0.000 0.259 82 D C -0.369 176.048 176.300 0.195 0.000 1.118 82 D CA 0.046 54.150 54.000 0.173 0.000 1.017 82 D CB 0.812 41.753 40.800 0.235 0.000 1.120 82 D HN 0.356 nan 8.370 nan 0.000 0.541 83 T N 0.826 115.476 114.554 0.160 0.000 2.801 83 T HA 0.436 4.799 4.350 0.021 0.000 0.306 83 T C -0.578 174.215 174.700 0.157 0.000 1.020 83 T CA -0.426 61.774 62.100 0.167 0.000 0.948 83 T CB 0.513 69.456 68.868 0.124 0.000 0.962 83 T HN 0.002 nan 8.240 nan 0.000 0.465 84 V N 3.990 124.036 119.914 0.219 0.000 2.850 84 V HA 0.586 4.719 4.120 0.021 0.000 0.315 84 V C -0.116 176.118 176.094 0.232 0.000 1.064 84 V CA -0.683 61.727 62.300 0.184 0.000 0.979 84 V CB 2.357 34.295 31.823 0.191 0.000 1.039 84 V HN 0.558 nan 8.190 nan 0.000 0.452 85 V N 4.518 124.554 119.914 0.203 0.000 2.481 85 V HA 0.597 4.729 4.120 0.021 0.000 0.286 85 V C -0.554 175.619 176.094 0.132 0.000 1.042 85 V CA 0.008 62.416 62.300 0.181 0.000 0.928 85 V CB 1.883 33.778 31.823 0.119 0.000 0.986 85 V HN 0.602 nan 8.190 nan 0.000 0.462 86 V N 8.497 128.423 119.914 0.021 0.000 2.588 86 V HA 0.529 4.662 4.120 0.021 0.000 0.304 86 V C -2.361 173.629 176.094 -0.173 0.000 1.042 86 V CA -1.601 60.573 62.300 -0.210 0.000 0.877 86 V CB 2.345 33.718 31.823 -0.749 0.000 0.996 86 V HN 0.852 nan 8.190 nan 0.000 0.425 87 P HA 0.546 nan 4.420 nan 0.000 0.281 87 P C -0.858 176.367 177.300 -0.124 0.000 1.249 87 P CA -0.213 62.765 63.100 -0.203 0.000 0.810 87 P CB 1.474 33.063 31.700 -0.185 0.000 1.008 88 S N 0.189 115.825 115.700 -0.107 0.000 2.615 88 S HA 0.419 4.902 4.470 0.021 0.000 0.268 88 S C -1.364 173.153 174.600 -0.138 0.000 1.146 88 S CA -1.018 57.100 58.200 -0.136 0.000 0.818 88 S CB 0.391 63.481 63.200 -0.184 0.000 1.111 88 S HN 0.348 nan 8.310 nan 0.000 0.465 89 N N 1.066 119.619 118.700 -0.245 0.000 2.444 89 N HA 0.405 5.157 4.740 0.021 0.000 0.262 89 N C 0.437 175.760 175.510 -0.311 0.000 0.974 89 N CA -0.794 52.093 53.050 -0.271 0.000 0.933 89 N CB 0.733 39.047 38.487 -0.289 0.000 1.137 89 N HN 0.824 nan 8.380 nan 0.000 0.498 90 W N 3.059 124.196 121.300 -0.271 0.000 2.421 90 W HA -0.100 4.573 4.660 0.021 0.000 0.270 90 W C 0.919 177.426 176.519 -0.019 0.000 1.233 90 W CA 0.870 58.051 57.345 -0.273 0.000 1.226 90 W CB -0.324 28.914 29.460 -0.371 0.000 1.121 90 W HN 0.497 nan 8.180 nan 0.000 0.579 91 Q N 0.322 120.102 119.800 -0.035 0.000 2.291 91 Q HA -0.128 4.225 4.340 0.021 0.000 0.206 91 Q C 2.020 178.014 176.000 -0.010 0.000 0.976 91 Q CA 1.605 57.426 55.803 0.032 0.000 0.875 91 Q CB -0.633 27.994 28.738 -0.184 0.000 0.927 91 Q HN 0.225 nan 8.270 nan 0.000 0.450 92 M N -1.064 118.478 119.600 -0.095 0.000 2.557 92 M HA -0.043 4.450 4.480 0.021 0.000 0.259 92 M C 0.814 177.224 176.300 0.183 0.000 1.086 92 M CA 1.369 56.632 55.300 -0.061 0.000 1.096 92 M CB -0.532 31.988 32.600 -0.134 0.000 1.424 92 M HN 0.375 nan 8.290 nan 0.000 0.488 93 H N -1.907 117.238 119.070 0.124 0.000 2.654 93 H HA 0.328 4.896 4.556 0.021 0.000 0.264 93 H C 1.409 176.715 175.328 -0.036 0.000 0.954 93 H CA 0.308 56.433 56.048 0.128 0.000 1.199 93 H CB 0.752 30.716 29.762 0.337 0.000 1.446 93 H HN 0.493 nan 8.280 nan 0.000 0.516 94 G N 0.089 108.951 108.800 0.105 0.000 2.255 94 G HA2 -0.298 3.674 3.960 0.021 0.000 0.196 94 G HA3 -0.298 3.674 3.960 0.021 0.000 0.196 94 G C 0.428 175.176 174.900 -0.253 0.000 0.998 94 G CA 0.073 45.097 45.100 -0.126 0.000 0.656 94 G HN 0.336 nan 8.290 nan 0.000 0.490 95 Y N 2.296 122.593 120.300 -0.005 0.000 2.081 95 Y HA 0.132 4.694 4.550 0.021 0.000 0.280 95 Y C 1.801 177.422 175.900 -0.466 0.000 1.163 95 Y CA 1.923 59.827 58.100 -0.326 0.000 1.135 95 Y CB -0.220 38.026 38.460 -0.356 0.000 0.970 95 Y HN 0.619 nan 8.280 nan 0.000 0.498 96 D N -2.257 118.235 120.400 0.153 0.000 2.744 96 D HA 0.580 5.232 4.640 0.021 0.000 0.304 96 D C -1.066 175.344 176.300 0.184 0.000 1.179 96 D CA -0.796 53.306 54.000 0.169 0.000 1.024 96 D CB 0.833 41.908 40.800 0.458 0.000 1.453 96 D HN 0.074 nan 8.370 nan 0.000 0.529 97 A N -0.451 122.481 122.820 0.185 0.000 2.293 97 A HA 0.728 5.060 4.320 0.021 0.000 0.302 97 A C -2.440 175.197 177.584 0.088 0.000 1.119 97 A CA -1.271 50.854 52.037 0.146 0.000 0.823 97 A CB 0.232 19.375 19.000 0.240 0.000 1.097 97 A HN 0.531 nan 8.150 nan 0.000 0.491 98 P HA 0.540 nan 4.420 nan 0.000 0.288 98 P C -1.077 176.416 177.300 0.322 0.000 1.267 98 P CA -0.142 62.935 63.100 -0.038 0.000 0.815 98 P CB 0.907 32.311 31.700 -0.492 0.000 0.989 99 I N 2.980 123.804 120.570 0.424 0.000 2.378 99 I HA 0.239 4.422 4.170 0.021 0.000 0.291 99 I C -0.336 175.966 176.117 0.308 0.000 0.992 99 I CA -0.822 60.718 61.300 0.400 0.000 1.154 99 I CB 1.216 39.372 38.000 0.260 0.000 1.315 99 I HN 0.289 nan 8.210 nan 0.000 0.448 100 Y N 6.634 126.883 120.300 -0.084 0.000 2.700 100 Y HA 0.509 5.072 4.550 0.021 0.000 0.333 100 Y C -0.168 175.551 175.900 -0.302 0.000 1.036 100 Y CA -0.262 57.433 58.100 -0.676 0.000 1.287 100 Y CB 0.724 37.965 38.460 -2.032 0.000 1.132 100 Y HN 0.549 nan 8.280 nan 0.000 0.510 101 T N 4.461 118.456 114.554 -0.931 0.000 2.887 101 T HA 0.266 4.629 4.350 0.021 0.000 0.288 101 T C 0.369 174.595 174.700 -0.790 0.000 1.021 101 T CA -0.549 61.080 62.100 -0.786 0.000 1.000 101 T CB 1.358 70.006 68.868 -0.367 0.000 1.034 101 T HN 0.872 nan 8.240 nan 0.000 0.467 102 N N 2.078 120.386 118.700 -0.653 0.000 2.272 102 N HA 0.035 4.787 4.740 0.021 0.000 0.195 102 N C 1.503 176.752 175.510 -0.434 0.000 1.048 102 N CA 0.565 53.346 53.050 -0.448 0.000 0.912 102 N CB 0.166 38.395 38.487 -0.430 0.000 1.096 102 N HN 0.340 nan 8.380 nan 0.000 0.471 103 V N 0.576 120.160 119.914 -0.550 0.000 2.326 103 V HA 0.014 4.147 4.120 0.021 0.000 0.238 103 V C 0.563 176.348 176.094 -0.514 0.000 1.038 103 V CA 0.865 62.749 62.300 -0.694 0.000 1.032 103 V CB -0.492 30.841 31.823 -0.817 0.000 0.675 103 V HN 0.365 nan 8.190 nan 0.000 0.467 104 T N 1.350 115.676 114.554 -0.381 0.000 2.800 104 T HA 0.011 4.373 4.350 0.021 0.000 0.283 104 T C -0.401 174.186 174.700 -0.187 0.000 0.999 104 T CA 0.500 62.463 62.100 -0.227 0.000 1.176 104 T CB -0.563 68.194 68.868 -0.185 0.000 0.973 104 T HN 0.186 nan 8.240 nan 0.000 0.519 105 Y N 5.517 125.724 120.300 -0.155 0.000 2.597 105 Y HA 0.090 4.652 4.550 0.021 0.000 0.336 105 Y C -0.780 175.001 175.900 -0.197 0.000 1.216 105 Y CA -1.768 56.233 58.100 -0.166 0.000 1.463 105 Y CB 0.249 38.612 38.460 -0.162 0.000 1.303 105 Y HN 0.528 nan 8.280 nan 0.000 0.576 106 P HA -0.178 nan 4.420 nan 0.000 0.215 106 P C 0.356 177.489 177.300 -0.280 0.000 1.153 106 P CA 1.596 64.612 63.100 -0.139 0.000 0.853 106 P CB 0.107 31.745 31.700 -0.103 0.000 0.788 107 I N -3.788 116.488 120.570 -0.490 0.000 3.062 107 I HA 0.400 4.583 4.170 0.021 0.000 0.316 107 I C -0.465 175.500 176.117 -0.254 0.000 1.041 107 I CA -0.932 60.068 61.300 -0.499 0.000 1.069 107 I CB 1.015 38.530 38.000 -0.809 0.000 1.300 107 I HN -0.349 nan 8.210 nan 0.000 0.518 108 T N 2.559 117.006 114.554 -0.178 0.000 2.851 108 T HA 0.237 4.599 4.350 0.021 0.000 0.298 108 T C 0.189 174.864 174.700 -0.042 0.000 0.977 108 T CA -0.429 61.626 62.100 -0.076 0.000 1.126 108 T CB 0.940 69.790 68.868 -0.029 0.000 0.916 108 T HN 0.390 nan 8.240 nan 0.000 0.529 109 V N 4.676 124.577 119.914 -0.022 0.000 2.377 109 V HA 0.173 4.306 4.120 0.021 0.000 0.254 109 V C 0.705 176.833 176.094 0.057 0.000 1.060 109 V CA -0.083 62.228 62.300 0.018 0.000 1.068 109 V CB -0.877 30.921 31.823 -0.042 0.000 1.113 109 V HN 0.823 nan 8.190 nan 0.000 0.484 110 N N 5.510 124.304 118.700 0.158 0.000 2.700 110 N HA 0.285 5.038 4.740 0.021 0.000 0.242 110 N C -3.026 172.551 175.510 0.111 0.000 1.541 110 N CA -1.367 51.775 53.050 0.153 0.000 0.764 110 N CB 1.632 40.263 38.487 0.241 0.000 1.319 110 N HN 0.246 nan 8.380 nan 0.000 0.518 111 P HA 0.218 nan 4.420 nan 0.000 0.268 111 P C -2.331 174.707 177.300 -0.436 0.000 1.204 111 P CA -0.868 61.800 63.100 -0.721 0.000 0.768 111 P CB 0.531 31.639 31.700 -0.987 0.000 0.842 112 P HA 0.252 nan 4.420 nan 0.000 0.262 112 P C -0.541 176.603 177.300 -0.261 0.000 1.651 112 P CA -0.335 62.506 63.100 -0.430 0.000 1.119 112 P CB -0.058 31.420 31.700 -0.369 0.000 1.552 113 F N -0.425 119.641 119.950 0.194 0.000 2.382 113 F HA 0.326 4.866 4.527 0.022 0.000 0.331 113 F C 1.161 177.134 175.800 0.289 0.000 1.121 113 F CA -0.593 57.527 58.000 0.200 0.000 1.183 113 F CB 0.718 39.780 39.000 0.104 0.000 1.207 113 F HN -0.282 nan 8.300 nan 0.000 0.555 114 V N 1.749 121.943 119.914 0.468 0.000 3.046 114 V HA 0.462 4.595 4.120 0.021 0.000 0.316 114 V C -2.167 174.106 176.094 0.299 0.000 1.104 114 V CA -2.135 60.368 62.300 0.339 0.000 1.006 114 V CB 2.311 34.410 31.823 0.460 0.000 1.058 114 V HN 0.506 nan 8.190 nan 0.000 0.440 115 P HA 0.146 nan 4.420 nan 0.000 0.271 115 P C 0.723 178.181 177.300 0.263 0.000 1.218 115 P CA 0.103 63.316 63.100 0.188 0.000 0.780 115 P CB 0.601 32.376 31.700 0.125 0.000 0.901 116 T N -0.537 114.138 114.554 0.203 0.000 2.867 116 T HA -0.111 4.252 4.350 0.021 0.000 0.268 116 T C 0.278 175.097 174.700 0.197 0.000 1.057 116 T CA 0.855 63.078 62.100 0.205 0.000 1.136 116 T CB -0.624 68.331 68.868 0.145 0.000 0.874 116 T HN 0.359 nan 8.240 nan 0.000 0.466 117 E N 2.997 123.315 120.200 0.197 0.000 1.932 117 E HA 0.391 4.753 4.350 0.021 0.000 0.275 117 E C -0.555 176.206 176.600 0.268 0.000 1.159 117 E CA -0.255 56.263 56.400 0.198 0.000 0.905 117 E CB 0.075 29.894 29.700 0.198 0.000 1.059 117 E HN 0.348 nan 8.360 nan 0.000 0.400 118 N N 3.515 122.327 118.700 0.185 0.000 2.577 118 N HA 0.246 4.999 4.740 0.021 0.000 0.275 118 N C -2.856 172.632 175.510 -0.037 0.000 1.091 118 N CA -2.704 50.462 53.050 0.192 0.000 0.843 118 N CB 1.125 39.768 38.487 0.260 0.000 1.295 118 N HN -0.016 nan 8.380 nan 0.000 0.530 119 P HA 0.017 nan 4.420 nan 0.000 0.253 119 P C -0.685 176.484 177.300 -0.219 0.000 1.170 119 P CA 0.536 63.505 63.100 -0.219 0.000 0.806 119 P CB -0.018 31.828 31.700 0.243 0.000 0.775 120 T N 2.814 117.039 114.554 -0.547 0.000 2.829 120 T HA 0.598 4.961 4.350 0.021 0.000 0.282 120 T C 0.537 174.798 174.700 -0.730 0.000 0.990 120 T CA -0.490 61.348 62.100 -0.437 0.000 1.028 120 T CB 1.593 70.214 68.868 -0.412 0.000 0.951 120 T HN 0.310 nan 8.240 nan 0.000 0.460 121 G N 0.796 109.280 108.800 -0.527 0.000 2.557 121 G HA2 0.508 4.481 3.960 0.021 0.000 0.310 121 G HA3 0.508 4.481 3.960 0.021 0.000 0.310 121 G C -0.581 174.130 174.900 -0.315 0.000 1.328 121 G CA -0.436 44.254 45.100 -0.684 0.000 0.945 121 G HN 0.880 nan 8.290 nan 0.000 0.494 122 C N 2.719 121.598 119.300 -0.702 0.000 2.264 122 C HA 0.557 5.029 4.460 0.021 0.000 0.324 122 C C -0.588 174.380 174.990 -0.036 0.000 1.267 122 C CA -0.958 57.781 59.018 -0.465 0.000 1.618 122 C CB -1.339 25.614 27.740 -1.312 0.000 2.278 122 C HN 0.629 nan 8.230 nan 0.000 0.499 123 Y N 1.803 122.381 120.300 0.463 0.000 2.457 123 Y HA 0.663 5.226 4.550 0.021 0.000 0.333 123 Y C 0.783 177.152 175.900 0.783 0.000 1.119 123 Y CA -0.251 58.254 58.100 0.674 0.000 1.143 123 Y CB 1.538 40.397 38.460 0.665 0.000 1.230 123 Y HN 0.710 nan 8.280 nan 0.000 0.469 124 S N 2.014 118.219 115.700 0.842 0.000 2.550 124 S HA 0.805 5.288 4.470 0.021 0.000 0.270 124 S C -1.915 172.716 174.600 0.051 0.000 1.145 124 S CA -0.796 57.662 58.200 0.431 0.000 0.852 124 S CB 2.045 65.436 63.200 0.318 0.000 1.119 124 S HN 0.652 nan 8.310 nan 0.000 0.465 125 L N 1.049 122.148 121.223 -0.207 0.000 2.526 125 L HA 0.712 5.065 4.340 0.021 0.000 0.263 125 L C -1.163 175.656 176.870 -0.085 0.000 0.943 125 L CA 0.128 54.682 54.840 -0.477 0.000 0.859 125 L CB 2.348 43.556 42.059 -1.419 0.000 1.313 125 L HN 0.917 nan 8.230 nan 0.000 0.406 126 T N 5.476 120.002 114.554 -0.047 0.000 2.771 126 T HA 0.783 5.145 4.350 0.021 0.000 0.281 126 T C -0.861 173.895 174.700 0.094 0.000 0.982 126 T CA -0.042 62.066 62.100 0.014 0.000 0.978 126 T CB 0.465 69.306 68.868 -0.046 0.000 0.930 126 T HN 0.480 nan 8.240 nan 0.000 0.447 127 F N 0.424 120.294 119.950 -0.133 0.000 2.741 127 F HA 0.675 5.215 4.527 0.021 0.000 0.313 127 F C -1.304 174.435 175.800 -0.101 0.000 1.153 127 F CA -1.548 56.377 58.000 -0.125 0.000 0.931 127 F CB 1.168 40.081 39.000 -0.145 0.000 1.335 127 F HN 0.254 nan 8.300 nan 0.000 0.460 128 N N 0.522 119.178 118.700 -0.073 0.000 2.421 128 N HA 0.631 5.384 4.740 0.021 0.000 0.285 128 N C -1.531 173.913 175.510 -0.108 0.000 1.027 128 N CA -0.680 52.275 53.050 -0.159 0.000 0.918 128 N CB 2.217 40.633 38.487 -0.118 0.000 1.152 128 N HN 0.553 nan 8.380 nan 0.000 0.485 129 V N 1.145 120.955 119.914 -0.172 0.000 2.459 129 V HA 0.229 4.362 4.120 0.021 0.000 0.295 129 V C -0.298 175.689 176.094 -0.178 0.000 1.029 129 V CA -0.853 61.359 62.300 -0.146 0.000 0.874 129 V CB 1.633 33.443 31.823 -0.022 0.000 0.985 129 V HN 0.650 nan 8.190 nan 0.000 0.438 130 D N 3.029 123.242 120.400 -0.313 0.000 2.383 130 D HA 0.060 4.712 4.640 0.021 0.000 0.252 130 D C 1.475 177.720 176.300 -0.091 0.000 1.166 130 D CA 0.036 53.893 54.000 -0.238 0.000 0.879 130 D CB 1.174 41.754 40.800 -0.367 0.000 1.164 130 D HN 0.808 nan 8.370 nan 0.000 0.462 131 E N 1.950 122.127 120.200 -0.039 0.000 2.208 131 E HA -0.350 4.012 4.350 0.021 0.000 0.202 131 E C 1.378 178.015 176.600 0.063 0.000 1.014 131 E CA 1.710 58.118 56.400 0.014 0.000 0.819 131 E CB -0.361 29.341 29.700 0.004 0.000 0.735 131 E HN 0.456 nan 8.360 nan 0.000 0.469 132 S N 0.166 115.911 115.700 0.075 0.000 2.382 132 S HA -0.181 4.302 4.470 0.021 0.000 0.228 132 S C 1.550 176.250 174.600 0.168 0.000 1.027 132 S CA 0.907 59.183 58.200 0.126 0.000 0.991 132 S CB -0.796 62.484 63.200 0.133 0.000 0.823 132 S HN 0.467 nan 8.310 nan 0.000 0.469 133 W N 1.726 122.899 121.300 -0.212 0.000 2.392 133 W HA 0.170 4.843 4.660 0.021 0.000 0.279 133 W C 1.466 177.950 176.519 -0.057 0.000 1.225 133 W CA 0.098 57.226 57.345 -0.362 0.000 1.233 133 W CB -0.674 28.632 29.460 -0.258 0.000 1.122 133 W HN 0.341 nan 8.180 nan 0.000 0.561 134 L N -1.119 120.229 121.223 0.207 0.000 2.529 134 L HA 0.098 4.451 4.340 0.021 0.000 0.223 134 L C 2.032 178.972 176.870 0.116 0.000 1.113 134 L CA 0.730 55.667 54.840 0.160 0.000 0.861 134 L CB -1.736 40.403 42.059 0.133 0.000 1.012 134 L HN -0.157 nan 8.230 nan 0.000 0.461 135 Q N 0.847 120.709 119.800 0.103 0.000 1.993 135 Q HA -0.057 4.296 4.340 0.021 0.000 0.202 135 Q C 0.673 176.724 176.000 0.085 0.000 0.984 135 Q CA 1.593 57.443 55.803 0.079 0.000 0.837 135 Q CB 0.227 29.005 28.738 0.067 0.000 0.902 135 Q HN 0.661 nan 8.270 nan 0.000 0.423 136 E N -2.546 117.722 120.200 0.113 0.000 2.446 136 E HA 0.579 4.941 4.350 0.021 0.000 0.267 136 E C 0.159 176.864 176.600 0.175 0.000 0.955 136 E CA -0.593 55.873 56.400 0.110 0.000 0.842 136 E CB 0.538 30.287 29.700 0.083 0.000 1.504 136 E HN 0.267 nan 8.360 nan 0.000 0.438 137 G N 0.573 109.401 108.800 0.046 0.000 2.750 137 G HA2 -0.236 3.736 3.960 0.021 0.000 0.228 137 G HA3 -0.236 3.736 3.960 0.021 0.000 0.228 137 G C -0.686 174.153 174.900 -0.101 0.000 1.367 137 G CA 0.165 45.185 45.100 -0.133 0.000 0.871 137 G HN 0.745 nan 8.290 nan 0.000 0.560 138 Q N -0.659 118.960 119.800 -0.301 0.000 2.353 138 Q HA 0.680 5.033 4.340 0.021 0.000 0.268 138 Q C -1.051 174.865 176.000 -0.141 0.000 1.045 138 Q CA -0.508 55.217 55.803 -0.130 0.000 0.811 138 Q CB 1.901 30.583 28.738 -0.094 0.000 1.305 138 Q HN 0.605 nan 8.270 nan 0.000 0.447 139 T N 4.727 119.334 114.554 0.089 0.000 2.772 139 T HA 0.500 4.863 4.350 0.021 0.000 0.288 139 T C -0.656 174.152 174.700 0.180 0.000 0.994 139 T CA -0.654 61.563 62.100 0.195 0.000 0.951 139 T CB 0.516 69.622 68.868 0.397 0.000 0.933 139 T HN 0.676 nan 8.240 nan 0.000 0.447 140 R N 2.724 123.308 120.500 0.139 0.000 2.888 140 R HA 0.808 5.161 4.340 0.021 0.000 0.266 140 R C -1.234 175.157 176.300 0.151 0.000 1.020 140 R CA -1.033 55.157 56.100 0.150 0.000 0.963 140 R CB 1.591 31.957 30.300 0.109 0.000 1.197 140 R HN 0.534 nan 8.270 nan 0.000 0.481 141 I N 2.017 122.692 120.570 0.175 0.000 2.562 141 I HA 0.511 4.694 4.170 0.021 0.000 0.301 141 I C -1.113 175.078 176.117 0.123 0.000 1.003 141 I CA -1.328 60.040 61.300 0.114 0.000 1.127 141 I CB 1.470 39.546 38.000 0.127 0.000 1.304 141 I HN 0.602 nan 8.210 nan 0.000 0.446 142 I N 6.670 127.188 120.570 -0.086 0.000 2.533 142 I HA 0.325 4.507 4.170 0.021 0.000 0.290 142 I C -1.501 174.452 176.117 -0.274 0.000 1.056 142 I CA -0.486 60.787 61.300 -0.045 0.000 1.057 142 I CB 1.825 39.785 38.000 -0.067 0.000 1.240 142 I HN 0.343 nan 8.210 nan 0.000 0.423 143 F N 3.639 123.564 119.950 -0.042 0.000 2.427 143 F HA 0.337 4.877 4.527 0.021 0.000 0.348 143 F C 1.090 176.771 175.800 -0.199 0.000 1.125 143 F CA -0.833 57.072 58.000 -0.158 0.000 0.989 143 F CB 0.929 39.789 39.000 -0.233 0.000 1.165 143 F HN 0.389 nan 8.300 nan 0.000 0.442 144 D N 2.233 122.557 120.400 -0.127 0.000 2.371 144 D HA 0.148 4.800 4.640 0.021 0.000 0.221 144 D C 0.877 176.998 176.300 -0.298 0.000 0.986 144 D CA 0.800 54.672 54.000 -0.214 0.000 0.899 144 D CB 0.434 41.053 40.800 -0.302 0.000 0.902 144 D HN 0.702 nan 8.370 nan 0.000 0.530 145 G N -0.382 108.190 108.800 -0.380 0.000 1.984 145 G HA2 0.348 4.321 3.960 0.021 0.000 0.313 145 G HA3 0.348 4.321 3.960 0.021 0.000 0.313 145 G C -1.450 173.114 174.900 -0.560 0.000 1.632 145 G CA -0.552 44.197 45.100 -0.586 0.000 0.963 145 G HN -0.046 nan 8.290 nan 0.000 0.595 146 V N 2.630 122.444 119.914 -0.168 0.000 2.483 146 V HA 0.613 4.745 4.120 0.021 0.000 0.297 146 V C -0.691 175.481 176.094 0.130 0.000 1.027 146 V CA -1.112 61.110 62.300 -0.131 0.000 0.855 146 V CB 1.945 33.409 31.823 -0.598 0.000 0.995 146 V HN 0.724 nan 8.190 nan 0.000 0.424 147 N N 2.482 121.279 118.700 0.162 0.000 2.399 147 N HA 0.316 5.069 4.740 0.021 0.000 0.280 147 N C 0.569 176.038 175.510 -0.069 0.000 1.008 147 N CA 0.172 53.247 53.050 0.042 0.000 0.894 147 N CB 2.319 40.718 38.487 -0.146 0.000 1.273 147 N HN 0.597 nan 8.380 nan 0.000 0.486 148 S N 2.273 117.957 115.700 -0.026 0.000 2.497 148 S HA 0.540 5.023 4.470 0.021 0.000 0.218 148 S C 0.323 174.988 174.600 0.107 0.000 1.023 148 S CA 0.441 58.672 58.200 0.051 0.000 0.913 148 S CB 0.128 63.371 63.200 0.072 0.000 0.800 148 S HN 0.729 nan 8.310 nan 0.000 0.505 149 A N 0.462 123.361 122.820 0.132 0.000 2.610 149 A HA 0.761 5.094 4.320 0.021 0.000 0.291 149 A C -1.308 176.401 177.584 0.207 0.000 1.086 149 A CA -0.843 51.243 52.037 0.081 0.000 0.677 149 A CB 0.755 19.800 19.000 0.074 0.000 1.278 149 A HN 1.190 nan 8.150 nan 0.000 0.414 150 F N -1.057 118.727 119.950 -0.277 0.000 2.744 150 F HA 0.728 5.268 4.527 0.021 0.000 0.311 150 F C -1.326 174.420 175.800 -0.090 0.000 1.144 150 F CA -0.788 57.151 58.000 -0.102 0.000 0.938 150 F CB 0.979 39.913 39.000 -0.110 0.000 1.292 150 F HN 0.661 nan 8.300 nan 0.000 0.444 151 H N 1.591 120.822 119.070 0.269 0.000 2.573 151 H HA 0.799 5.368 4.556 0.021 0.000 0.351 151 H C -1.492 173.864 175.328 0.047 0.000 1.163 151 H CA -0.771 55.355 56.048 0.131 0.000 1.205 151 H CB 2.433 32.334 29.762 0.231 0.000 1.605 151 H HN 0.845 nan 8.280 nan 0.000 0.525 152 L N 2.180 123.253 121.223 -0.250 0.000 2.431 152 L HA 0.414 4.766 4.340 0.021 0.000 0.266 152 L C -1.769 174.800 176.870 -0.501 0.000 0.978 152 L CA -0.472 54.230 54.840 -0.230 0.000 0.822 152 L CB 1.716 43.520 42.059 -0.426 0.000 1.310 152 L HN 0.497 nan 8.230 nan 0.000 0.409 153 W N 4.212 125.480 121.300 -0.054 0.000 2.844 153 W HA 0.651 5.324 4.660 0.021 0.000 0.340 153 W C -1.145 175.323 176.519 -0.086 0.000 1.093 153 W CA -0.801 56.499 57.345 -0.074 0.000 1.212 153 W CB 2.071 31.514 29.460 -0.028 0.000 1.422 153 W HN 0.672 nan 8.180 nan 0.000 0.515 154 C N 4.610 124.012 119.300 0.170 0.000 2.516 154 C HA 0.292 4.764 4.460 0.021 0.000 0.338 154 C C 0.018 175.136 174.990 0.213 0.000 1.132 154 C CA -0.445 58.658 59.018 0.142 0.000 1.310 154 C CB -0.365 27.401 27.740 0.043 0.000 1.898 154 C HN 0.812 nan 8.230 nan 0.000 0.452 155 N N 3.703 122.486 118.700 0.139 0.000 2.725 155 N HA -0.186 4.566 4.740 0.021 0.000 0.251 155 N C 1.009 176.587 175.510 0.112 0.000 1.031 155 N CA 2.044 55.150 53.050 0.093 0.000 0.720 155 N CB -1.334 37.205 38.487 0.086 0.000 0.930 155 N HN 1.976 nan 8.380 nan 0.000 0.543 156 G N -1.286 107.567 108.800 0.089 0.000 2.184 156 G HA2 -0.391 3.582 3.960 0.021 0.000 0.264 156 G HA3 -0.391 3.582 3.960 0.021 0.000 0.264 156 G C 0.228 175.293 174.900 0.276 0.000 0.975 156 G CA 0.820 45.961 45.100 0.069 0.000 0.642 156 G HN 0.600 nan 8.290 nan 0.000 0.536 157 R N -1.211 119.525 120.500 0.395 0.000 2.474 157 R HA 0.464 4.817 4.340 0.021 0.000 0.295 157 R C -0.236 176.383 176.300 0.532 0.000 0.980 157 R CA -0.891 55.520 56.100 0.519 0.000 0.934 157 R CB 0.888 31.515 30.300 0.545 0.000 1.101 157 R HN 0.223 nan 8.270 nan 0.000 0.469 158 W N 3.475 124.898 121.300 0.206 0.000 2.303 158 W HA 0.130 4.802 4.660 0.021 0.000 0.318 158 W C 0.038 176.370 176.519 -0.311 0.000 1.362 158 W CA -0.108 56.962 57.345 -0.459 0.000 1.234 158 W CB 0.705 29.884 29.460 -0.469 0.000 1.248 158 W HN 0.333 nan 8.180 nan 0.000 0.546 159 V N 5.508 124.638 119.914 -1.306 0.000 2.690 159 V HA 0.520 4.652 4.120 0.021 0.000 0.240 159 V C 1.099 176.209 176.094 -1.640 0.000 1.078 159 V CA 1.062 62.580 62.300 -1.303 0.000 1.102 159 V CB -0.556 30.584 31.823 -1.138 0.000 0.800 159 V HN 0.815 nan 8.190 nan 0.000 0.479 160 G N -1.770 105.775 108.800 -2.092 0.000 2.320 160 G HA2 0.434 4.407 3.960 0.021 0.000 0.296 160 G HA3 0.434 4.407 3.960 0.021 0.000 0.296 160 G C -2.446 172.012 174.900 -0.738 0.000 1.306 160 G CA -0.339 43.930 45.100 -1.386 0.000 0.836 160 G HN -0.017 nan 8.290 nan 0.000 0.517 161 Y N -0.379 119.688 120.300 -0.389 0.000 2.553 161 Y HA 0.760 5.322 4.550 0.021 0.000 0.347 161 Y C 0.044 175.705 175.900 -0.399 0.000 1.019 161 Y CA -0.103 57.727 58.100 -0.451 0.000 1.032 161 Y CB 2.395 40.747 38.460 -0.180 0.000 1.284 161 Y HN 1.305 nan 8.280 nan 0.000 0.466 162 G N 3.567 111.509 108.800 -1.429 0.000 2.742 162 G HA2 0.545 4.518 3.960 0.021 0.000 0.296 162 G HA3 0.545 4.518 3.960 0.021 0.000 0.296 162 G C -2.174 172.231 174.900 -0.826 0.000 1.436 162 G CA -0.954 43.593 45.100 -0.923 0.000 0.928 162 G HN 0.625 nan 8.290 nan 0.000 0.520 163 Q N 0.062 119.628 119.800 -0.390 0.000 2.495 163 Q HA 0.670 5.023 4.340 0.021 0.000 0.283 163 Q C -1.183 174.799 176.000 -0.029 0.000 1.097 163 Q CA -0.914 54.791 55.803 -0.163 0.000 0.836 163 Q CB 2.447 31.142 28.738 -0.071 0.000 1.426 163 Q HN 0.567 nan 8.270 nan 0.000 0.459 164 D N -0.333 120.091 120.400 0.040 0.000 4.150 164 D HA -0.095 4.557 4.640 0.021 0.000 0.231 164 D C -0.348 176.008 176.300 0.092 0.000 1.129 164 D CA 0.394 54.435 54.000 0.068 0.000 1.005 164 D CB -0.592 40.234 40.800 0.044 0.000 0.691 164 D HN 0.562 nan 8.370 nan 0.000 0.320 165 S N 2.690 118.460 115.700 0.116 0.000 2.419 165 S HA -0.153 4.329 4.470 0.021 0.000 0.235 165 S C 1.587 176.309 174.600 0.203 0.000 1.019 165 S CA 0.853 59.152 58.200 0.165 0.000 0.982 165 S CB 0.153 63.420 63.200 0.112 0.000 0.789 165 S HN 0.479 nan 8.310 nan 0.000 0.490 166 R N 0.288 120.872 120.500 0.141 0.000 2.393 166 R HA 0.436 4.788 4.340 0.021 0.000 0.244 166 R C -0.106 176.249 176.300 0.093 0.000 0.920 166 R CA 0.035 56.219 56.100 0.140 0.000 1.076 166 R CB -0.465 29.930 30.300 0.159 0.000 1.119 166 R HN 0.353 nan 8.270 nan 0.000 0.524 167 L N 1.007 122.258 121.223 0.047 0.000 2.327 167 L HA 0.529 4.881 4.340 0.021 0.000 0.258 167 L C -2.427 174.420 176.870 -0.038 0.000 1.024 167 L CA -2.471 52.367 54.840 -0.003 0.000 0.825 167 L CB 2.632 44.682 42.059 -0.014 0.000 1.386 167 L HN -0.221 nan 8.230 nan 0.000 0.417 168 P HA 0.168 nan 4.420 nan 0.000 0.275 168 P C -1.331 175.933 177.300 -0.061 0.000 1.227 168 P CA -0.342 62.717 63.100 -0.069 0.000 0.781 168 P CB 0.952 32.576 31.700 -0.126 0.000 0.906 169 S N 1.620 117.334 115.700 0.023 0.000 2.473 169 S HA 0.467 4.950 4.470 0.021 0.000 0.307 169 S C -0.510 174.045 174.600 -0.075 0.000 1.094 169 S CA -0.831 57.324 58.200 -0.075 0.000 1.070 169 S CB 1.489 64.738 63.200 0.082 0.000 1.019 169 S HN 0.366 nan 8.310 nan 0.000 0.480 170 E N 1.500 121.449 120.200 -0.419 0.000 2.234 170 E HA 0.577 4.939 4.350 0.021 0.000 0.266 170 E C -1.523 174.709 176.600 -0.614 0.000 0.877 170 E CA -0.561 55.675 56.400 -0.274 0.000 0.758 170 E CB 1.648 31.297 29.700 -0.085 0.000 1.170 170 E HN 0.492 nan 8.360 nan 0.000 0.415 171 F N 0.525 120.544 119.950 0.115 0.000 2.576 171 F HA 0.239 4.779 4.527 0.022 0.000 0.313 171 F C 0.043 175.876 175.800 0.056 0.000 1.078 171 F CA -1.164 56.863 58.000 0.044 0.000 0.921 171 F CB 1.423 40.409 39.000 -0.023 0.000 1.232 171 F HN 0.262 nan 8.300 nan 0.000 0.459 172 D N 2.423 122.965 120.400 0.237 0.000 2.316 172 D HA 0.247 4.900 4.640 0.021 0.000 0.245 172 D C 0.278 176.718 176.300 0.233 0.000 1.171 172 D CA 0.225 54.342 54.000 0.195 0.000 0.856 172 D CB 0.994 41.892 40.800 0.164 0.000 1.090 172 D HN 0.570 nan 8.370 nan 0.000 0.476 173 L N 2.791 124.160 121.223 0.244 0.000 2.640 173 L HA 0.021 4.373 4.340 0.021 0.000 0.230 173 L C 2.090 179.219 176.870 0.432 0.000 1.123 173 L CA -0.131 54.890 54.840 0.302 0.000 0.900 173 L CB 0.024 42.231 42.059 0.247 0.000 1.146 173 L HN 0.330 nan 8.230 nan 0.000 0.484 174 S N 1.235 117.126 115.700 0.318 0.000 2.399 174 S HA -0.292 4.190 4.470 0.021 0.000 0.235 174 S C 1.725 176.448 174.600 0.206 0.000 1.063 174 S CA 2.043 60.388 58.200 0.240 0.000 1.070 174 S CB -0.101 63.197 63.200 0.163 0.000 0.904 174 S HN 0.569 nan 8.310 nan 0.000 0.456 175 A N -1.216 121.724 122.820 0.200 0.000 2.460 175 A HA 0.505 4.838 4.320 0.021 0.000 0.258 175 A C 0.868 178.296 177.584 -0.260 0.000 1.300 175 A CA -0.214 51.793 52.037 -0.050 0.000 0.913 175 A CB -0.171 18.704 19.000 -0.208 0.000 1.031 175 A HN 0.452 nan 8.150 nan 0.000 0.512 176 F N -0.811 119.186 119.950 0.078 0.000 2.752 176 F HA 0.369 4.908 4.527 0.021 0.000 0.310 176 F C 0.647 176.487 175.800 0.067 0.000 1.097 176 F CA -0.296 57.747 58.000 0.072 0.000 1.238 176 F CB 0.153 39.202 39.000 0.083 0.000 1.061 176 F HN -0.014 nan 8.300 nan 0.000 0.591 177 L N 2.538 123.932 121.223 0.286 0.000 2.417 177 L HA 0.350 4.703 4.340 0.021 0.000 0.268 177 L C 0.350 177.275 176.870 0.091 0.000 1.158 177 L CA -0.266 54.682 54.840 0.180 0.000 0.819 177 L CB 0.747 42.934 42.059 0.214 0.000 1.112 177 L HN 0.128 nan 8.230 nan 0.000 0.458 178 R N 2.336 122.855 120.500 0.031 0.000 2.807 178 R HA 0.799 5.152 4.340 0.021 0.000 0.276 178 R C -0.939 175.343 176.300 -0.031 0.000 0.979 178 R CA -0.909 55.189 56.100 -0.003 0.000 0.928 178 R CB 1.562 31.849 30.300 -0.022 0.000 1.191 178 R HN 0.539 nan 8.270 nan 0.000 0.471 179 A N 1.413 124.219 122.820 -0.024 0.000 2.440 179 A HA 0.523 4.855 4.320 0.021 0.000 0.251 179 A C 1.140 178.679 177.584 -0.075 0.000 1.089 179 A CA 0.817 52.831 52.037 -0.039 0.000 0.779 179 A CB -0.330 18.658 19.000 -0.020 0.000 1.022 179 A HN 1.278 nan 8.150 nan 0.000 0.492 180 G N 1.285 110.025 108.800 -0.100 0.000 2.728 180 G HA2 -0.233 3.739 3.960 0.021 0.000 0.269 180 G HA3 -0.233 3.739 3.960 0.021 0.000 0.269 180 G C 0.202 174.985 174.900 -0.196 0.000 1.334 180 G CA 0.433 45.458 45.100 -0.124 0.000 0.974 180 G HN 1.071 nan 8.290 nan 0.000 0.550 181 E N 2.028 122.116 120.200 -0.187 0.000 2.152 181 E HA 0.435 4.797 4.350 0.021 0.000 0.285 181 E C -0.309 176.101 176.600 -0.317 0.000 1.043 181 E CA -0.391 55.858 56.400 -0.252 0.000 0.839 181 E CB 0.140 29.738 29.700 -0.170 0.000 1.069 181 E HN 0.397 nan 8.360 nan 0.000 0.399 182 N N 3.337 121.687 118.700 -0.583 0.000 2.328 182 N HA 0.423 5.175 4.740 0.021 0.000 0.299 182 N C -0.996 174.156 175.510 -0.596 0.000 1.179 182 N CA -0.647 52.011 53.050 -0.654 0.000 0.793 182 N CB 2.027 39.863 38.487 -1.085 0.000 1.366 182 N HN 0.370 nan 8.380 nan 0.000 0.493 183 R N 1.439 121.811 120.500 -0.212 0.000 2.574 183 R HA 0.486 4.839 4.340 0.021 0.000 0.288 183 R C -1.405 174.976 176.300 0.136 0.000 1.004 183 R CA -0.503 55.596 56.100 -0.002 0.000 0.895 183 R CB 1.297 31.560 30.300 -0.061 0.000 1.191 183 R HN 0.487 nan 8.270 nan 0.000 0.444 184 L N 2.731 124.072 121.223 0.198 0.000 2.317 184 L HA 0.719 5.071 4.340 0.021 0.000 0.281 184 L C -0.361 176.585 176.870 0.127 0.000 1.024 184 L CA -0.875 54.080 54.840 0.192 0.000 0.810 184 L CB 2.008 44.194 42.059 0.212 0.000 1.240 184 L HN 0.706 nan 8.230 nan 0.000 0.427 185 A N 3.417 126.312 122.820 0.124 0.000 2.332 185 A HA 0.729 5.062 4.320 0.021 0.000 0.300 185 A C -0.999 176.859 177.584 0.457 0.000 1.153 185 A CA -0.442 51.594 52.037 -0.000 0.000 0.764 185 A CB 1.403 19.831 19.000 -0.953 0.000 1.174 185 A HN 0.376 nan 8.150 nan 0.000 0.467 186 V N 3.847 124.206 119.914 0.742 0.000 2.378 186 V HA 0.553 4.686 4.120 0.021 0.000 0.288 186 V C -0.056 176.552 176.094 0.857 0.000 1.016 186 V CA -0.260 62.484 62.300 0.741 0.000 0.840 186 V CB 1.171 33.322 31.823 0.546 0.000 0.994 186 V HN 0.994 nan 8.190 nan 0.000 0.431 187 M N 6.161 126.250 119.600 0.814 0.000 2.072 187 M HA 0.744 5.236 4.480 0.021 0.000 0.331 187 M C -1.470 175.092 176.300 0.436 0.000 1.004 187 M CA -0.175 55.455 55.300 0.550 0.000 0.952 187 M CB 1.616 34.451 32.600 0.392 0.000 1.511 187 M HN 0.259 nan 8.290 nan 0.000 0.422 188 V N 6.068 126.203 119.914 0.367 0.000 2.350 188 V HA 0.418 4.551 4.120 0.021 0.000 0.276 188 V C -0.062 176.192 176.094 0.266 0.000 1.028 188 V CA -0.573 61.937 62.300 0.350 0.000 0.860 188 V CB 0.962 33.057 31.823 0.453 0.000 0.990 188 V HN 0.873 nan 8.190 nan 0.000 0.453 189 L N 5.267 126.577 121.223 0.146 0.000 2.292 189 L HA 0.504 4.857 4.340 0.021 0.000 0.284 189 L C 1.671 178.544 176.870 0.005 0.000 1.065 189 L CA -0.300 54.546 54.840 0.009 0.000 0.806 189 L CB 1.125 43.099 42.059 -0.142 0.000 1.175 189 L HN 0.709 nan 8.230 nan 0.000 0.431 190 R N 3.066 123.508 120.500 -0.097 0.000 2.066 190 R HA -0.042 4.310 4.340 0.021 0.000 0.232 190 R C -0.292 175.740 176.300 -0.447 0.000 1.131 190 R CA 0.832 56.676 56.100 -0.426 0.000 0.955 190 R CB 0.087 30.001 30.300 -0.643 0.000 0.851 190 R HN 0.544 nan 8.270 nan 0.000 0.432 191 W N 1.277 122.634 121.300 0.095 0.000 2.496 191 W HA 0.412 5.084 4.660 0.021 0.000 0.327 191 W C -0.186 176.440 176.519 0.179 0.000 1.086 191 W CA -0.870 56.538 57.345 0.105 0.000 1.222 191 W CB 1.675 31.202 29.460 0.110 0.000 1.304 191 W HN 0.151 nan 8.180 nan 0.000 0.547 192 S N -0.929 115.052 115.700 0.469 0.000 2.688 192 S HA 0.205 4.687 4.470 0.021 0.000 0.275 192 S C 0.134 174.975 174.600 0.402 0.000 1.175 192 S CA -0.421 58.069 58.200 0.485 0.000 0.818 192 S CB 1.188 64.644 63.200 0.427 0.000 1.157 192 S HN 0.607 nan 8.310 nan 0.000 0.482 193 D N 0.290 120.931 120.400 0.402 0.000 2.264 193 D HA 0.080 4.733 4.640 0.021 0.000 0.208 193 D C 1.733 178.327 176.300 0.490 0.000 0.966 193 D CA 1.189 55.461 54.000 0.455 0.000 0.864 193 D CB -0.763 40.185 40.800 0.248 0.000 0.933 193 D HN 0.709 nan 8.370 nan 0.000 0.499 194 G N -0.133 108.876 108.800 0.350 0.000 2.471 194 G HA2 -0.224 3.749 3.960 0.021 0.000 0.219 194 G HA3 -0.224 3.749 3.960 0.021 0.000 0.219 194 G C 1.666 176.741 174.900 0.291 0.000 1.125 194 G CA 0.652 45.933 45.100 0.301 0.000 0.775 194 G HN 0.317 nan 8.290 nan 0.000 0.548 195 S N -0.171 115.686 115.700 0.262 0.000 2.423 195 S HA -0.055 4.427 4.470 0.021 0.000 0.231 195 S C 1.881 176.594 174.600 0.189 0.000 1.014 195 S CA 0.489 58.813 58.200 0.207 0.000 0.965 195 S CB -0.380 62.945 63.200 0.209 0.000 0.785 195 S HN 0.552 nan 8.310 nan 0.000 0.495 196 Y N 1.289 121.726 120.300 0.228 0.000 2.403 196 Y HA 0.017 4.579 4.550 0.021 0.000 0.291 196 Y C 1.640 177.668 175.900 0.214 0.000 1.143 196 Y CA 0.696 58.868 58.100 0.120 0.000 1.257 196 Y CB -0.205 38.195 38.460 -0.099 0.000 0.984 196 Y HN 0.194 nan 8.280 nan 0.000 0.550 197 L N -0.211 121.214 121.223 0.337 0.000 2.667 197 L HA 0.105 4.458 4.340 0.021 0.000 0.232 197 L C -0.054 176.954 176.870 0.230 0.000 1.138 197 L CA 0.409 55.399 54.840 0.249 0.000 0.921 197 L CB 0.058 42.268 42.059 0.252 0.000 1.180 197 L HN 0.162 nan 8.230 nan 0.000 0.487 198 E N -0.056 120.292 120.200 0.247 0.000 3.896 198 E HA 0.052 4.415 4.350 0.021 0.000 0.217 198 E C -0.614 176.085 176.600 0.165 0.000 1.150 198 E CA -0.068 56.457 56.400 0.208 0.000 1.338 198 E CB 0.518 30.332 29.700 0.190 0.000 1.242 198 E HN 0.018 nan 8.360 nan 0.000 0.435 199 D N 1.332 121.784 120.400 0.086 0.000 3.072 199 D HA 0.043 4.695 4.640 0.021 0.000 0.250 199 D C -0.347 175.937 176.300 -0.027 0.000 1.304 199 D CA -0.223 53.710 54.000 -0.113 0.000 0.861 199 D CB 0.167 40.596 40.800 -0.619 0.000 1.062 199 D HN 0.024 nan 8.370 nan 0.000 0.481 200 Q N 0.481 120.362 119.800 0.135 0.000 2.373 200 Q HA 0.149 4.502 4.340 0.021 0.000 0.255 200 Q C -0.215 175.900 176.000 0.192 0.000 0.980 200 Q CA -0.092 55.867 55.803 0.261 0.000 0.882 200 Q CB 0.717 29.754 28.738 0.499 0.000 1.249 200 Q HN 0.123 nan 8.270 nan 0.000 0.438 201 D N 3.181 123.723 120.400 0.236 0.000 2.429 201 D HA 0.177 4.829 4.640 0.021 0.000 0.253 201 D C -0.811 175.625 176.300 0.227 0.000 1.294 201 D CA 0.248 54.352 54.000 0.173 0.000 1.063 201 D CB -0.438 40.473 40.800 0.184 0.000 1.096 201 D HN 0.477 nan 8.370 nan 0.000 0.516 202 M N 0.595 120.286 119.600 0.150 0.000 2.956 202 M HA 0.354 4.846 4.480 0.021 0.000 0.272 202 M C -1.338 175.046 176.300 0.139 0.000 1.132 202 M CA -1.202 54.136 55.300 0.063 0.000 0.805 202 M CB 0.862 33.424 32.600 -0.064 0.000 1.639 202 M HN -0.074 nan 8.290 nan 0.000 0.520 203 W N 1.897 123.306 121.300 0.180 0.000 2.231 203 W HA 0.280 4.952 4.660 0.021 0.000 0.341 203 W C 0.245 176.784 176.519 0.033 0.000 1.298 203 W CA 0.053 57.483 57.345 0.142 0.000 1.266 203 W CB 0.313 29.794 29.460 0.034 0.000 1.172 203 W HN 0.310 nan 8.180 nan 0.000 0.568 204 R N 4.586 125.260 120.500 0.290 0.000 2.204 204 R HA 0.428 4.781 4.340 0.021 0.000 0.341 204 R C -0.171 176.147 176.300 0.030 0.000 1.035 204 R CA -0.341 55.850 56.100 0.153 0.000 0.887 204 R CB 0.190 30.635 30.300 0.241 0.000 1.114 204 R HN 0.548 nan 8.270 nan 0.000 0.473 205 M N 0.274 119.787 119.600 -0.145 0.000 2.792 205 M HA 0.552 5.044 4.480 0.021 0.000 0.290 205 M C -0.188 175.795 176.300 -0.529 0.000 1.155 205 M CA -0.762 54.335 55.300 -0.338 0.000 0.781 205 M CB 2.229 34.622 32.600 -0.345 0.000 1.741 205 M HN 0.649 nan 8.290 nan 0.000 0.473 206 S N -1.156 114.105 115.700 -0.730 0.000 2.595 206 S HA 0.904 5.387 4.470 0.021 0.000 0.270 206 S C -0.662 173.482 174.600 -0.760 0.000 1.145 206 S CA -0.276 57.416 58.200 -0.847 0.000 0.825 206 S CB 1.622 64.161 63.200 -1.102 0.000 1.107 206 S HN 1.448 nan 8.310 nan 0.000 0.461 207 G N 0.156 108.744 108.800 -0.353 0.000 2.343 207 G HA2 0.159 4.132 3.960 0.021 0.000 0.562 207 G HA3 0.159 4.132 3.960 0.021 0.000 0.562 207 G C -1.266 173.648 174.900 0.025 0.000 1.269 207 G CA -0.638 44.492 45.100 0.050 0.000 1.011 207 G HN 1.187 nan 8.290 nan 0.000 0.498 208 I N 2.152 122.585 120.570 -0.228 0.000 2.227 208 I HA 0.233 4.416 4.170 0.021 0.000 0.297 208 I C 1.296 177.267 176.117 -0.243 0.000 1.173 208 I CA -0.037 61.020 61.300 -0.404 0.000 1.356 208 I CB -0.479 37.030 38.000 -0.818 0.000 1.485 208 I HN 0.495 nan 8.210 nan 0.000 0.604 209 F N 4.029 123.829 119.950 -0.250 0.000 2.727 209 F HA 0.401 4.940 4.527 0.020 0.000 0.302 209 F C 0.798 176.516 175.800 -0.135 0.000 1.097 209 F CA -0.528 57.357 58.000 -0.191 0.000 1.330 209 F CB 0.045 38.939 39.000 -0.178 0.000 1.084 209 F HN 0.119 nan 8.300 nan 0.000 0.578 210 R N 0.664 120.699 120.500 -0.774 0.000 2.950 210 R HA 0.287 4.640 4.340 0.021 0.000 0.253 210 R C -0.893 175.191 176.300 -0.361 0.000 1.168 210 R CA -1.077 54.719 56.100 -0.506 0.000 1.014 210 R CB 0.476 30.435 30.300 -0.568 0.000 1.228 210 R HN 0.006 nan 8.270 nan 0.000 0.487 211 D N 0.355 120.603 120.400 -0.254 0.000 2.354 211 D HA 0.221 4.873 4.640 0.021 0.000 0.238 211 D C -0.384 175.757 176.300 -0.265 0.000 1.250 211 D CA 0.062 53.936 54.000 -0.210 0.000 0.911 211 D CB 0.466 41.192 40.800 -0.124 0.000 1.163 211 D HN 0.037 nan 8.370 nan 0.000 0.456 212 V N 0.330 120.095 119.914 -0.248 0.000 2.577 212 V HA 0.585 4.717 4.120 0.021 0.000 0.303 212 V C -0.339 175.624 176.094 -0.219 0.000 1.042 212 V CA -0.575 61.521 62.300 -0.340 0.000 0.872 212 V CB 1.650 33.264 31.823 -0.350 0.000 0.998 212 V HN 0.590 nan 8.190 nan 0.000 0.423 213 S N 4.422 119.974 115.700 -0.248 0.000 2.651 213 S HA 0.784 5.266 4.470 0.021 0.000 0.279 213 S C -1.235 173.312 174.600 -0.088 0.000 1.148 213 S CA -0.764 57.363 58.200 -0.122 0.000 0.837 213 S CB 2.115 65.278 63.200 -0.062 0.000 1.138 213 S HN 0.515 nan 8.310 nan 0.000 0.478 214 L N 2.056 123.295 121.223 0.026 0.000 2.385 214 L HA 0.637 4.989 4.340 0.021 0.000 0.273 214 L C -1.668 175.335 176.870 0.221 0.000 0.990 214 L CA -0.720 54.210 54.840 0.151 0.000 0.821 214 L CB 1.754 43.959 42.059 0.243 0.000 1.279 214 L HN 0.541 nan 8.230 nan 0.000 0.412 215 L N 3.100 124.418 121.223 0.159 0.000 2.385 215 L HA 0.478 4.830 4.340 0.021 0.000 0.273 215 L C -0.954 175.855 176.870 -0.102 0.000 0.990 215 L CA -0.280 54.588 54.840 0.046 0.000 0.821 215 L CB 1.707 43.788 42.059 0.037 0.000 1.279 215 L HN 0.489 nan 8.230 nan 0.000 0.412 216 H N 4.280 123.056 119.070 -0.489 0.000 2.597 216 H HA 0.542 5.110 4.556 0.021 0.000 0.303 216 H C -1.118 173.944 175.328 -0.443 0.000 1.057 216 H CA -0.195 55.404 56.048 -0.748 0.000 1.261 216 H CB 0.710 29.394 29.762 -1.796 0.000 1.397 216 H HN 0.588 nan 8.280 nan 0.000 0.461 217 K N 5.708 125.614 120.400 -0.824 0.000 2.281 217 K HA 0.370 4.703 4.320 0.021 0.000 0.242 217 K C -2.627 173.608 176.600 -0.609 0.000 0.971 217 K CA -2.193 53.751 56.287 -0.573 0.000 0.834 217 K CB 1.653 33.947 32.500 -0.343 0.000 1.181 217 K HN 0.472 nan 8.250 nan 0.000 0.435 218 P HA 0.035 nan 4.420 nan 0.000 0.273 218 P C 0.225 177.410 177.300 -0.192 0.000 1.250 218 P CA -0.105 62.856 63.100 -0.233 0.000 0.793 218 P CB 0.353 31.972 31.700 -0.134 0.000 1.011 219 T N -2.631 111.852 114.554 -0.119 0.000 2.942 219 T HA -0.000 4.362 4.350 0.021 0.000 0.265 219 T C 0.605 175.250 174.700 -0.090 0.000 1.062 219 T CA 1.274 63.319 62.100 -0.092 0.000 1.139 219 T CB -0.501 68.337 68.868 -0.049 0.000 0.883 219 T HN 0.352 nan 8.240 nan 0.000 0.468 220 T N 3.442 117.945 114.554 -0.084 0.000 2.770 220 T HA 0.491 4.853 4.350 0.021 0.000 0.297 220 T C -0.350 174.288 174.700 -0.104 0.000 0.997 220 T CA -0.767 61.278 62.100 -0.092 0.000 0.949 220 T CB 0.897 69.728 68.868 -0.063 0.000 0.941 220 T HN 0.504 nan 8.240 nan 0.000 0.457 221 Q N 2.580 122.300 119.800 -0.133 0.000 2.693 221 Q HA 0.629 4.982 4.340 0.021 0.000 0.306 221 Q C -1.220 174.688 176.000 -0.154 0.000 0.969 221 Q CA -1.192 54.518 55.803 -0.155 0.000 0.757 221 Q CB 1.335 29.951 28.738 -0.203 0.000 1.494 221 Q HN 0.442 nan 8.270 nan 0.000 0.459 222 I N 2.507 122.957 120.570 -0.200 0.000 2.337 222 I HA 0.066 4.249 4.170 0.021 0.000 0.291 222 I C 0.639 176.627 176.117 -0.215 0.000 1.046 222 I CA -0.150 61.049 61.300 -0.168 0.000 1.324 222 I CB 1.278 39.146 38.000 -0.221 0.000 1.409 222 I HN 0.825 nan 8.210 nan 0.000 0.494 223 S N 2.994 118.678 115.700 -0.026 0.000 2.470 223 S HA 0.134 4.617 4.470 0.021 0.000 0.222 223 S C 0.263 175.050 174.600 0.312 0.000 1.024 223 S CA -0.088 58.155 58.200 0.072 0.000 0.931 223 S CB 0.179 63.389 63.200 0.016 0.000 0.791 223 S HN 0.746 nan 8.310 nan 0.000 0.513 224 D N -0.520 120.091 120.400 0.352 0.000 2.742 224 D HA 0.504 5.157 4.640 0.021 0.000 0.262 224 D C -1.898 174.644 176.300 0.402 0.000 1.240 224 D CA -0.817 53.431 54.000 0.413 0.000 0.752 224 D CB 1.314 42.239 40.800 0.210 0.000 1.290 224 D HN 0.198 nan 8.370 nan 0.000 0.420 225 F N -0.757 119.295 119.950 0.169 0.000 2.688 225 F HA 0.671 5.210 4.527 0.021 0.000 0.308 225 F C -1.591 174.327 175.800 0.198 0.000 1.117 225 F CA -0.762 57.250 58.000 0.020 0.000 0.976 225 F CB 1.225 40.265 39.000 0.066 0.000 1.291 225 F HN 0.319 nan 8.300 nan 0.000 0.439 226 H N 0.947 120.042 119.070 0.042 0.000 2.821 226 H HA 0.805 5.373 4.556 0.021 0.000 0.373 226 H C -1.389 173.959 175.328 0.033 0.000 1.165 226 H CA -1.591 54.415 56.048 -0.071 0.000 1.154 226 H CB 2.710 32.437 29.762 -0.059 0.000 1.765 226 H HN 0.618 nan 8.280 nan 0.000 0.549 227 V N 0.987 120.986 119.914 0.142 0.000 2.769 227 V HA 0.825 4.957 4.120 0.021 0.000 0.312 227 V C -0.410 175.673 176.094 -0.018 0.000 1.058 227 V CA -0.526 61.807 62.300 0.056 0.000 0.952 227 V CB 1.629 33.471 31.823 0.031 0.000 1.019 227 V HN 0.978 nan 8.190 nan 0.000 0.445 228 A N 1.937 124.716 122.820 -0.070 0.000 2.589 228 A HA 0.850 5.182 4.320 0.021 0.000 0.296 228 A C -0.542 176.931 177.584 -0.184 0.000 1.062 228 A CA -0.270 51.706 52.037 -0.102 0.000 0.686 228 A CB 2.161 21.130 19.000 -0.052 0.000 1.282 228 A HN 1.002 nan 8.150 nan 0.000 0.404 229 T N -0.125 114.298 114.554 -0.219 0.000 2.881 229 T HA 0.739 5.102 4.350 0.021 0.000 0.291 229 T C -0.484 173.966 174.700 -0.416 0.000 0.990 229 T CA -0.634 61.248 62.100 -0.363 0.000 0.976 229 T CB 1.015 69.570 68.868 -0.522 0.000 0.970 229 T HN 0.719 nan 8.240 nan 0.000 0.438 230 R N 1.976 122.207 120.500 -0.447 0.000 2.668 230 R HA 0.798 5.151 4.340 0.021 0.000 0.279 230 R C -0.954 174.901 176.300 -0.742 0.000 0.976 230 R CA -0.696 55.161 56.100 -0.405 0.000 0.978 230 R CB 1.274 31.467 30.300 -0.178 0.000 1.133 230 R HN 0.567 nan 8.270 nan 0.000 0.484 231 F N 0.146 120.099 119.950 0.004 0.000 2.631 231 F HA 0.384 4.922 4.527 0.019 0.000 0.328 231 F C 0.539 176.219 175.800 -0.200 0.000 1.067 231 F CA -1.061 56.886 58.000 -0.088 0.000 0.969 231 F CB 1.133 39.996 39.000 -0.229 0.000 1.332 231 F HN 0.537 nan 8.300 nan 0.000 0.490 232 N N 0.109 118.797 118.700 -0.020 0.000 2.491 232 N HA 0.078 4.831 4.740 0.021 0.000 0.279 232 N C 0.461 175.826 175.510 -0.241 0.000 1.236 232 N CA -0.174 52.817 53.050 -0.098 0.000 0.982 232 N CB 0.482 38.944 38.487 -0.042 0.000 1.194 232 N HN 0.739 nan 8.380 nan 0.000 0.582 233 D N -0.434 119.874 120.400 -0.154 0.000 2.172 233 D HA -0.271 4.382 4.640 0.021 0.000 0.196 233 D C 0.320 176.510 176.300 -0.183 0.000 0.999 233 D CA 1.937 55.844 54.000 -0.155 0.000 0.856 233 D CB -0.518 40.246 40.800 -0.059 0.000 0.934 233 D HN 0.744 nan 8.370 nan 0.000 0.453 234 D N -2.073 118.263 120.400 -0.106 0.000 2.440 234 D HA 0.050 4.702 4.640 0.021 0.000 0.216 234 D C 0.321 176.746 176.300 0.209 0.000 1.150 234 D CA -0.796 53.244 54.000 0.067 0.000 0.832 234 D CB -1.066 39.789 40.800 0.093 0.000 0.992 234 D HN 0.254 nan 8.370 nan 0.000 0.502 235 F N 0.283 120.277 119.950 0.074 0.000 2.953 235 F HA -0.307 4.233 4.527 0.020 0.000 0.292 235 F C 1.650 177.508 175.800 0.097 0.000 0.747 235 F CA 0.809 58.859 58.000 0.083 0.000 1.222 235 F CB -2.371 36.575 39.000 -0.089 0.000 1.457 235 F HN 0.172 nan 8.300 nan 0.000 0.383 236 S N -0.245 115.562 115.700 0.178 0.000 2.527 236 S HA 0.106 4.588 4.470 0.021 0.000 0.222 236 S C 0.658 175.315 174.600 0.094 0.000 0.985 236 S CA 0.270 58.542 58.200 0.121 0.000 0.921 236 S CB 0.119 63.365 63.200 0.076 0.000 0.772 236 S HN 0.492 nan 8.310 nan 0.000 0.529 237 R N 0.355 120.922 120.500 0.112 0.000 2.651 237 R HA 0.835 5.187 4.340 0.021 0.000 0.278 237 R C -1.316 175.034 176.300 0.083 0.000 1.010 237 R CA -0.691 55.447 56.100 0.063 0.000 0.896 237 R CB 1.605 31.913 30.300 0.014 0.000 1.211 237 R HN 0.124 nan 8.270 nan 0.000 0.456 238 A N 1.597 124.414 122.820 -0.004 0.000 2.479 238 A HA 0.774 5.107 4.320 0.021 0.000 0.296 238 A C -1.126 176.406 177.584 -0.088 0.000 1.121 238 A CA -0.811 51.159 52.037 -0.111 0.000 0.743 238 A CB 2.284 21.233 19.000 -0.085 0.000 1.323 238 A HN 0.359 nan 8.150 nan 0.000 0.415 239 V N 1.064 120.898 119.914 -0.135 0.000 2.531 239 V HA 0.478 4.610 4.120 0.021 0.000 0.301 239 V C -0.849 175.201 176.094 -0.073 0.000 1.034 239 V CA -0.404 61.849 62.300 -0.079 0.000 0.865 239 V CB 1.375 33.140 31.823 -0.097 0.000 0.995 239 V HN 0.822 nan 8.190 nan 0.000 0.424 240 L N 4.270 125.481 121.223 -0.019 0.000 2.295 240 L HA 0.622 4.975 4.340 0.021 0.000 0.285 240 L C -0.158 176.675 176.870 -0.061 0.000 1.035 240 L CA 0.461 55.263 54.840 -0.064 0.000 0.806 240 L CB 1.261 43.308 42.059 -0.021 0.000 1.214 240 L HN 0.749 nan 8.230 nan 0.000 0.426 241 E N 3.871 124.026 120.200 -0.074 0.000 2.191 241 E HA 0.709 5.072 4.350 0.021 0.000 0.263 241 E C -1.508 175.081 176.600 -0.017 0.000 0.881 241 E CA -0.816 55.557 56.400 -0.044 0.000 0.757 241 E CB 1.672 31.344 29.700 -0.047 0.000 1.147 241 E HN 0.777 nan 8.360 nan 0.000 0.414 242 A N 4.166 126.983 122.820 -0.005 0.000 2.343 242 A HA 0.408 4.740 4.320 0.021 0.000 0.316 242 A C -0.820 176.764 177.584 -0.001 0.000 1.104 242 A CA -0.648 51.407 52.037 0.030 0.000 0.768 242 A CB 1.290 20.315 19.000 0.042 0.000 1.213 242 A HN 0.670 nan 8.150 nan 0.000 0.456 243 E N 2.457 122.647 120.200 -0.015 0.000 2.176 243 E HA 0.588 4.950 4.350 0.021 0.000 0.267 243 E C -1.607 174.930 176.600 -0.105 0.000 0.893 243 E CA -0.460 55.881 56.400 -0.098 0.000 0.761 243 E CB 1.503 31.102 29.700 -0.169 0.000 1.133 243 E HN 0.395 nan 8.360 nan 0.000 0.409 244 V N 4.739 124.632 119.914 -0.034 0.000 2.604 244 V HA 0.343 4.476 4.120 0.021 0.000 0.305 244 V C -0.449 175.718 176.094 0.122 0.000 1.043 244 V CA -0.799 61.535 62.300 0.057 0.000 0.888 244 V CB 1.593 33.450 31.823 0.056 0.000 0.995 244 V HN 0.735 nan 8.190 nan 0.000 0.429 245 Q N 4.206 124.070 119.800 0.107 0.000 2.413 245 Q HA 0.891 5.243 4.340 0.021 0.000 0.276 245 Q C -0.983 175.044 176.000 0.045 0.000 1.099 245 Q CA -1.027 54.824 55.803 0.080 0.000 0.814 245 Q CB 2.925 31.651 28.738 -0.019 0.000 1.379 245 Q HN 0.794 nan 8.270 nan 0.000 0.436 246 M N -0.655 118.876 119.600 -0.115 0.000 2.690 246 M HA 0.800 5.292 4.480 0.021 0.000 0.302 246 M C -1.478 174.691 176.300 -0.219 0.000 1.234 246 M CA -0.433 54.738 55.300 -0.216 0.000 0.853 246 M CB 2.299 34.590 32.600 -0.515 0.000 1.748 246 M HN 0.631 nan 8.290 nan 0.000 0.469 247 C N 1.218 120.408 119.300 -0.184 0.000 2.563 247 C HA 1.020 5.492 4.460 0.021 0.000 0.314 247 C C 0.490 175.389 174.990 -0.151 0.000 1.199 247 C CA 0.710 59.641 59.018 -0.145 0.000 1.564 247 C CB 0.771 28.452 27.740 -0.098 0.000 2.173 247 C HN 1.343 nan 8.230 nan 0.000 0.485 248 G N 3.534 112.254 108.800 -0.132 0.000 2.331 248 G HA2 0.106 4.078 3.960 0.021 0.000 0.479 248 G HA3 0.106 4.078 3.960 0.021 0.000 0.479 248 G C -1.445 173.379 174.900 -0.127 0.000 1.262 248 G CA -0.661 44.370 45.100 -0.115 0.000 1.029 248 G HN 0.785 nan 8.290 nan 0.000 0.487 249 E N 0.066 120.202 120.200 -0.106 0.000 2.200 249 E HA 0.617 4.980 4.350 0.021 0.000 0.283 249 E C 0.242 176.743 176.600 -0.165 0.000 1.015 249 E CA -0.788 55.542 56.400 -0.116 0.000 0.819 249 E CB 1.747 31.398 29.700 -0.082 0.000 1.081 249 E HN 0.563 nan 8.360 nan 0.000 0.397 250 L N 3.556 124.670 121.223 -0.182 0.000 2.530 250 L HA 0.183 4.535 4.340 0.021 0.000 0.273 250 L C -0.217 176.524 176.870 -0.215 0.000 1.141 250 L CA 0.045 54.756 54.840 -0.216 0.000 0.905 250 L CB 0.128 42.078 42.059 -0.183 0.000 1.202 250 L HN 0.459 nan 8.230 nan 0.000 0.473 251 R N 1.691 121.993 120.500 -0.330 0.000 2.561 251 R HA 0.155 4.507 4.340 0.021 0.000 0.297 251 R C 0.597 176.604 176.300 -0.488 0.000 0.969 251 R CA -0.681 55.126 56.100 -0.488 0.000 0.879 251 R CB 1.184 30.938 30.300 -0.910 0.000 1.178 251 R HN 0.585 nan 8.270 nan 0.000 0.445 252 D N 2.231 122.476 120.400 -0.259 0.000 2.322 252 D HA -0.271 4.382 4.640 0.021 0.000 0.210 252 D C 0.965 177.239 176.300 -0.043 0.000 0.983 252 D CA 1.410 55.349 54.000 -0.102 0.000 0.902 252 D CB -0.403 40.389 40.800 -0.013 0.000 0.905 252 D HN 0.725 nan 8.370 nan 0.000 0.483 253 Y N -0.531 119.787 120.300 0.029 0.000 2.490 253 Y HA 0.363 4.926 4.550 0.021 0.000 0.281 253 Y C 0.613 176.527 175.900 0.023 0.000 1.174 253 Y CA -0.952 57.163 58.100 0.026 0.000 1.295 253 Y CB -0.756 37.719 38.460 0.026 0.000 1.062 253 Y HN -0.159 nan 8.280 nan 0.000 0.522 254 L N 3.051 124.239 121.223 -0.058 0.000 2.380 254 L HA 0.358 4.711 4.340 0.021 0.000 0.273 254 L C 0.281 177.136 176.870 -0.025 0.000 1.138 254 L CA -0.012 54.840 54.840 0.020 0.000 0.832 254 L CB 0.586 42.672 42.059 0.045 0.000 1.124 254 L HN 0.208 nan 8.230 nan 0.000 0.454 255 R N 2.288 122.667 120.500 -0.202 0.000 2.817 255 R HA 0.772 5.124 4.340 0.021 0.000 0.268 255 R C -1.556 174.364 176.300 -0.633 0.000 1.027 255 R CA -0.887 54.947 56.100 -0.443 0.000 0.928 255 R CB 2.385 32.400 30.300 -0.475 0.000 1.228 255 R HN 0.276 nan 8.270 nan 0.000 0.469 256 V N 0.669 120.259 119.914 -0.540 0.000 2.760 256 V HA 0.474 4.607 4.120 0.021 0.000 0.309 256 V C -0.608 175.396 176.094 -0.149 0.000 1.077 256 V CA -0.628 61.448 62.300 -0.372 0.000 0.910 256 V CB 2.381 33.944 31.823 -0.434 0.000 1.008 256 V HN 0.768 nan 8.190 nan 0.000 0.424 257 T N 3.559 118.123 114.554 0.018 0.000 2.841 257 T HA 0.626 4.988 4.350 0.021 0.000 0.285 257 T C -0.790 173.923 174.700 0.022 0.000 0.991 257 T CA -0.420 61.728 62.100 0.080 0.000 0.966 257 T CB 1.773 70.762 68.868 0.201 0.000 0.962 257 T HN 0.349 nan 8.240 nan 0.000 0.438 258 V N 3.805 123.716 119.914 -0.004 0.000 2.409 258 V HA 0.668 4.801 4.120 0.021 0.000 0.291 258 V C -0.233 175.867 176.094 0.009 0.000 1.020 258 V CA -0.726 61.571 62.300 -0.006 0.000 0.848 258 V CB 1.756 33.561 31.823 -0.029 0.000 0.990 258 V HN 1.066 nan 8.190 nan 0.000 0.430 259 S N 5.379 121.112 115.700 0.054 0.000 2.526 259 S HA 0.841 5.324 4.470 0.021 0.000 0.293 259 S C -1.055 173.564 174.600 0.031 0.000 1.092 259 S CA -0.766 57.442 58.200 0.014 0.000 0.980 259 S CB 2.274 65.547 63.200 0.122 0.000 1.048 259 S HN 0.500 nan 8.310 nan 0.000 0.483 260 L N 2.500 123.617 121.223 -0.177 0.000 2.325 260 L HA 0.729 5.081 4.340 0.021 0.000 0.281 260 L C -1.918 174.784 176.870 -0.279 0.000 1.004 260 L CA -0.307 54.510 54.840 -0.039 0.000 0.823 260 L CB 0.577 42.658 42.059 0.037 0.000 1.236 260 L HN 0.859 nan 8.230 nan 0.000 0.415 261 W N 3.500 124.894 121.300 0.157 0.000 2.627 261 W HA 0.612 5.284 4.660 0.021 0.000 0.339 261 W C -0.359 176.233 176.519 0.121 0.000 1.058 261 W CA -0.476 56.937 57.345 0.113 0.000 1.223 261 W CB 1.304 30.790 29.460 0.043 0.000 1.389 261 W HN 0.454 nan 8.180 nan 0.000 0.541 262 Q N 2.491 122.444 119.800 0.255 0.000 2.674 262 Q HA 0.489 4.842 4.340 0.021 0.000 0.249 262 Q C 0.559 176.600 176.000 0.068 0.000 1.011 262 Q CA 0.530 56.340 55.803 0.011 0.000 0.734 262 Q CB 0.435 29.051 28.738 -0.202 0.000 1.201 262 Q HN 0.794 nan 8.270 nan 0.000 0.498 263 G N 2.740 111.597 108.800 0.094 0.000 2.728 263 G HA2 -0.282 3.690 3.960 0.021 0.000 0.269 263 G HA3 -0.282 3.690 3.960 0.021 0.000 0.269 263 G C 0.416 175.397 174.900 0.135 0.000 1.334 263 G CA 0.241 45.384 45.100 0.071 0.000 0.974 263 G HN 0.530 nan 8.290 nan 0.000 0.550 264 E N 0.932 121.221 120.200 0.150 0.000 2.473 264 E HA 0.205 4.567 4.350 0.021 0.000 0.204 264 E C 0.668 177.489 176.600 0.368 0.000 0.994 264 E CA 0.673 57.178 56.400 0.175 0.000 0.945 264 E CB 0.547 30.299 29.700 0.086 0.000 0.990 264 E HN 0.388 nan 8.360 nan 0.000 0.493 265 T N 2.446 117.177 114.554 0.295 0.000 2.729 265 T HA 0.123 4.485 4.350 0.021 0.000 0.296 265 T C 0.172 174.914 174.700 0.069 0.000 0.928 265 T CA -0.136 62.075 62.100 0.184 0.000 1.045 265 T CB 0.995 69.909 68.868 0.077 0.000 0.902 265 T HN 0.038 nan 8.240 nan 0.000 0.500 266 Q N 3.449 123.073 119.800 -0.292 0.000 2.286 266 Q HA 0.290 4.642 4.340 0.021 0.000 0.257 266 Q C -0.103 175.630 176.000 -0.445 0.000 0.941 266 Q CA -0.471 54.745 55.803 -0.977 0.000 0.912 266 Q CB 0.836 28.664 28.738 -1.516 0.000 1.192 266 Q HN 0.458 nan 8.270 nan 0.000 0.410 267 V N 2.578 122.268 119.914 -0.372 0.000 3.085 267 V HA 0.399 4.532 4.120 0.021 0.000 0.245 267 V C 0.220 176.223 176.094 -0.151 0.000 1.114 267 V CA 0.909 63.119 62.300 -0.150 0.000 1.108 267 V CB 0.569 32.400 31.823 0.012 0.000 0.798 267 V HN 0.847 nan 8.190 nan 0.000 0.471 268 A N -0.572 122.121 122.820 -0.212 0.000 2.605 268 A HA 0.762 5.094 4.320 0.021 0.000 0.294 268 A C -0.750 176.722 177.584 -0.187 0.000 1.062 268 A CA 0.205 52.148 52.037 -0.157 0.000 0.682 268 A CB 1.846 20.793 19.000 -0.089 0.000 1.278 268 A HN 0.228 nan 8.150 nan 0.000 0.410 269 S N 0.141 115.761 115.700 -0.132 0.000 2.541 269 S HA 0.873 5.356 4.470 0.021 0.000 0.271 269 S C -0.425 174.140 174.600 -0.059 0.000 1.133 269 S CA 0.206 58.347 58.200 -0.097 0.000 0.876 269 S CB 1.729 64.872 63.200 -0.096 0.000 1.105 269 S HN 2.369 nan 8.310 nan 0.000 0.470 270 G N 1.512 110.289 108.800 -0.039 0.000 2.719 270 G HA2 0.632 4.605 3.960 0.021 0.000 0.298 270 G HA3 0.632 4.605 3.960 0.021 0.000 0.298 270 G C -1.342 173.543 174.900 -0.024 0.000 1.411 270 G CA -0.540 44.539 45.100 -0.035 0.000 0.991 270 G HN 0.779 nan 8.290 nan 0.000 0.509 271 T N 0.018 114.558 114.554 -0.023 0.000 2.861 271 T HA 0.863 5.225 4.350 0.021 0.000 0.287 271 T C -0.160 174.504 174.700 -0.059 0.000 1.003 271 T CA -0.025 62.065 62.100 -0.016 0.000 0.977 271 T CB 1.786 70.680 68.868 0.043 0.000 0.996 271 T HN 1.562 nan 8.240 nan 0.000 0.448 272 A N 3.637 126.383 122.820 -0.123 0.000 2.586 272 A HA 0.944 5.277 4.320 0.021 0.000 0.290 272 A C -3.198 174.227 177.584 -0.264 0.000 1.086 272 A CA -1.458 50.486 52.037 -0.156 0.000 0.665 272 A CB 1.318 20.230 19.000 -0.148 0.000 1.279 272 A HN 0.539 nan 8.150 nan 0.000 0.423 273 P HA 0.650 nan 4.420 nan 0.000 0.287 273 P C -0.803 176.336 177.300 -0.269 0.000 1.290 273 P CA -0.609 62.351 63.100 -0.233 0.000 0.889 273 P CB 0.639 32.292 31.700 -0.078 0.000 1.190 274 F N 0.363 120.271 119.950 -0.070 0.000 2.545 274 F HA 0.420 4.959 4.527 0.020 0.000 0.348 274 F C 1.556 177.336 175.800 -0.033 0.000 1.163 274 F CA 1.800 59.768 58.000 -0.054 0.000 1.331 274 F CB 0.015 38.976 39.000 -0.066 0.000 1.138 274 F HN 0.592 nan 8.300 nan 0.000 0.602 275 G N 1.750 110.678 108.800 0.213 0.000 2.951 275 G HA2 0.338 4.311 3.960 0.021 0.000 0.508 275 G HA3 0.338 4.311 3.960 0.021 0.000 0.508 275 G C -0.441 174.510 174.900 0.085 0.000 1.203 275 G CA -0.772 44.402 45.100 0.124 0.000 1.209 275 G HN 1.049 nan 8.290 nan 0.000 0.552 276 G N 0.631 109.499 108.800 0.114 0.000 2.588 276 G HA2 0.662 4.635 3.960 0.021 0.000 0.281 276 G HA3 0.662 4.635 3.960 0.021 0.000 0.281 276 G C 0.248 175.185 174.900 0.063 0.000 1.236 276 G CA -0.356 44.800 45.100 0.093 0.000 0.969 276 G HN 0.819 nan 8.290 nan 0.000 0.504 277 E N -0.782 119.449 120.200 0.053 0.000 2.392 277 E HA 0.254 4.616 4.350 0.021 0.000 0.256 277 E C 0.112 176.731 176.600 0.032 0.000 1.145 277 E CA -0.630 55.789 56.400 0.033 0.000 0.929 277 E CB 0.513 30.227 29.700 0.025 0.000 0.998 277 E HN 0.096 nan 8.360 nan 0.000 0.442 278 I N 2.308 122.886 120.570 0.013 0.000 2.618 278 I HA -0.065 4.117 4.170 0.021 0.000 0.284 278 I C 1.210 177.331 176.117 0.007 0.000 1.146 278 I CA 0.128 61.428 61.300 0.000 0.000 1.425 278 I CB -0.111 37.885 38.000 -0.006 0.000 1.383 278 I HN 0.680 nan 8.210 nan 0.000 0.562 279 I N 2.398 122.965 120.570 -0.005 0.000 3.616 279 I HA 0.237 4.420 4.170 0.021 0.000 0.296 279 I C -0.112 176.002 176.117 -0.004 0.000 1.226 279 I CA 0.288 61.594 61.300 0.010 0.000 1.394 279 I CB 0.613 38.646 38.000 0.055 0.000 1.171 279 I HN 0.563 nan 8.210 nan 0.000 0.442 280 D N -0.029 120.355 120.400 -0.027 0.000 2.895 280 D HA 0.184 4.836 4.640 0.021 0.000 0.320 280 D C 0.372 176.653 176.300 -0.031 0.000 1.249 280 D CA -0.452 53.533 54.000 -0.024 0.000 0.997 280 D CB 0.520 41.305 40.800 -0.025 0.000 1.430 280 D HN -0.126 nan 8.370 nan 0.000 0.558 281 E N -0.951 119.232 120.200 -0.027 0.000 2.267 281 E HA -0.085 4.278 4.350 0.021 0.000 0.197 281 E C 1.448 178.027 176.600 -0.035 0.000 0.998 281 E CA 1.110 57.494 56.400 -0.026 0.000 0.830 281 E CB -0.055 29.633 29.700 -0.020 0.000 0.751 281 E HN 0.252 nan 8.360 nan 0.000 0.491 282 R N -0.588 119.882 120.500 -0.051 0.000 2.312 282 R HA 0.336 4.689 4.340 0.021 0.000 0.205 282 R C 1.043 177.298 176.300 -0.075 0.000 0.904 282 R CA 0.746 56.809 56.100 -0.062 0.000 1.052 282 R CB 0.757 31.013 30.300 -0.074 0.000 1.014 282 R HN 0.194 nan 8.270 nan 0.000 0.503 283 G N -0.247 108.507 108.800 -0.077 0.000 2.317 283 G HA2 -0.016 3.957 3.960 0.021 0.000 0.196 283 G HA3 -0.016 3.957 3.960 0.021 0.000 0.196 283 G C -0.478 174.359 174.900 -0.105 0.000 1.255 283 G CA -0.602 44.452 45.100 -0.076 0.000 1.243 283 G HN 0.488 nan 8.290 nan 0.000 0.535 284 G N -1.799 106.933 108.800 -0.113 0.000 3.015 284 G HA2 0.652 4.624 3.960 0.021 0.000 0.281 284 G HA3 0.652 4.624 3.960 0.021 0.000 0.281 284 G C -1.580 173.202 174.900 -0.196 0.000 1.386 284 G CA -0.769 44.262 45.100 -0.116 0.000 0.959 284 G HN 0.732 nan 8.290 nan 0.000 0.522 285 Y N 0.732 121.039 120.300 0.011 0.000 2.404 285 Y HA 0.413 4.975 4.550 0.020 0.000 0.344 285 Y C 1.402 177.316 175.900 0.024 0.000 0.995 285 Y CA 0.257 58.365 58.100 0.013 0.000 1.201 285 Y CB 1.837 40.309 38.460 0.020 0.000 1.151 285 Y HN 0.544 nan 8.280 nan 0.000 0.517 286 A N 1.830 124.719 122.820 0.116 0.000 2.072 286 A HA -0.097 4.235 4.320 0.021 0.000 0.216 286 A C 1.282 178.920 177.584 0.090 0.000 1.156 286 A CA 1.066 53.154 52.037 0.085 0.000 0.701 286 A CB -0.215 18.796 19.000 0.018 0.000 0.816 286 A HN 0.797 nan 8.150 nan 0.000 0.458 287 D N -0.798 119.637 120.400 0.059 0.000 2.395 287 D HA 0.184 4.836 4.640 0.021 0.000 0.226 287 D C 0.449 176.771 176.300 0.037 0.000 1.146 287 D CA -0.003 53.926 54.000 -0.118 0.000 0.830 287 D CB -0.041 40.683 40.800 -0.127 0.000 0.958 287 D HN 0.311 nan 8.370 nan 0.000 0.501 288 R N -0.854 119.812 120.500 0.277 0.000 2.808 288 R HA 0.730 5.083 4.340 0.021 0.000 0.272 288 R C -1.747 174.735 176.300 0.304 0.000 0.995 288 R CA -1.062 55.209 56.100 0.286 0.000 0.917 288 R CB 3.061 33.411 30.300 0.083 0.000 1.217 288 R HN -0.012 nan 8.270 nan 0.000 0.471 289 V N 0.468 120.461 119.914 0.132 0.000 3.048 289 V HA 0.569 4.702 4.120 0.021 0.000 0.303 289 V C -1.631 174.428 176.094 -0.059 0.000 1.214 289 V CA -0.245 62.031 62.300 -0.041 0.000 0.984 289 V CB 2.735 34.375 31.823 -0.305 0.000 1.054 289 V HN 0.806 nan 8.190 nan 0.000 0.430 290 T N 7.271 121.790 114.554 -0.058 0.000 2.840 290 T HA 0.694 5.057 4.350 0.021 0.000 0.287 290 T C -0.699 173.966 174.700 -0.057 0.000 0.991 290 T CA -0.242 61.828 62.100 -0.050 0.000 0.964 290 T CB 1.158 70.008 68.868 -0.029 0.000 0.954 290 T HN 0.537 nan 8.240 nan 0.000 0.438 291 L N 2.844 124.033 121.223 -0.056 0.000 2.334 291 L HA 0.714 5.066 4.340 0.021 0.000 0.270 291 L C 0.353 177.198 176.870 -0.041 0.000 1.018 291 L CA -1.076 53.732 54.840 -0.054 0.000 0.811 291 L CB 1.320 43.342 42.059 -0.062 0.000 1.271 291 L HN 0.375 nan 8.230 nan 0.000 0.443 292 R N 2.423 122.899 120.500 -0.040 0.000 2.483 292 R HA 0.636 4.989 4.340 0.021 0.000 0.303 292 R C -1.601 174.677 176.300 -0.037 0.000 0.987 292 R CA -0.638 55.439 56.100 -0.038 0.000 0.881 292 R CB 1.614 31.891 30.300 -0.038 0.000 1.177 292 R HN 0.455 nan 8.270 nan 0.000 0.451 293 L N 2.366 123.570 121.223 -0.032 0.000 2.329 293 L HA 0.476 4.829 4.340 0.021 0.000 0.279 293 L C -0.270 176.584 176.870 -0.026 0.000 1.014 293 L CA -1.078 53.744 54.840 -0.030 0.000 0.814 293 L CB 1.746 43.790 42.059 -0.025 0.000 1.257 293 L HN 0.467 nan 8.230 nan 0.000 0.424 294 N N 1.129 119.809 118.700 -0.035 0.000 2.455 294 N HA 0.512 5.264 4.740 0.021 0.000 0.280 294 N C -1.160 174.321 175.510 -0.049 0.000 1.055 294 N CA -0.256 52.771 53.050 -0.039 0.000 0.961 294 N CB 1.947 40.411 38.487 -0.038 0.000 1.121 294 N HN 0.239 nan 8.380 nan 0.000 0.476 295 V N 1.918 121.791 119.914 -0.068 0.000 2.482 295 V HA 0.284 4.417 4.120 0.021 0.000 0.295 295 V C -0.348 175.681 176.094 -0.109 0.000 1.026 295 V CA -0.835 61.395 62.300 -0.118 0.000 0.856 295 V CB 1.563 33.242 31.823 -0.239 0.000 1.001 295 V HN 0.579 nan 8.190 nan 0.000 0.424 296 E N 3.717 123.872 120.200 -0.074 0.000 2.227 296 E HA 0.287 4.650 4.350 0.021 0.000 0.282 296 E C -0.098 176.477 176.600 -0.041 0.000 1.015 296 E CA -0.309 56.066 56.400 -0.043 0.000 0.823 296 E CB 0.870 30.555 29.700 -0.026 0.000 1.081 296 E HN 0.664 nan 8.360 nan 0.000 0.396 297 N N 2.430 121.121 118.700 -0.014 0.000 2.650 297 N HA -0.126 4.627 4.740 0.021 0.000 0.272 297 N C -2.464 173.033 175.510 -0.022 0.000 1.058 297 N CA 0.341 53.394 53.050 0.004 0.000 0.765 297 N CB -0.897 37.598 38.487 0.013 0.000 0.902 297 N HN 0.283 nan 8.380 nan 0.000 0.551 298 P HA 0.136 nan 4.420 nan 0.000 0.275 298 P C 0.116 177.408 177.300 -0.014 0.000 1.228 298 P CA 0.058 63.032 63.100 -0.210 0.000 0.786 298 P CB 0.923 32.238 31.700 -0.641 0.000 0.927 299 K N 2.249 122.735 120.400 0.144 0.000 2.312 299 K HA 0.295 4.628 4.320 0.021 0.000 0.287 299 K C 0.046 176.782 176.600 0.228 0.000 1.062 299 K CA -0.381 56.003 56.287 0.161 0.000 0.934 299 K CB 0.250 32.847 32.500 0.161 0.000 1.027 299 K HN 0.436 nan 8.250 nan 0.000 0.478 300 L N 2.756 124.040 121.223 0.100 0.000 2.375 300 L HA 0.304 4.656 4.340 0.021 0.000 0.271 300 L C -0.066 176.870 176.870 0.110 0.000 1.107 300 L CA -0.832 54.068 54.840 0.099 0.000 0.806 300 L CB 0.510 42.460 42.059 -0.181 0.000 1.146 300 L HN 0.599 nan 8.230 nan 0.000 0.447 301 W N 3.354 124.672 121.300 0.029 0.000 2.376 301 W HA 0.487 5.159 4.660 0.020 0.000 0.322 301 W C 0.107 176.579 176.519 -0.079 0.000 1.160 301 W CA 0.175 57.532 57.345 0.020 0.000 1.218 301 W CB 1.334 30.855 29.460 0.101 0.000 1.205 301 W HN 0.613 nan 8.180 nan 0.000 0.559 302 S N 3.012 118.188 115.700 -0.874 0.000 2.636 302 S HA 0.621 5.103 4.470 0.021 0.000 0.268 302 S C -0.015 173.810 174.600 -1.292 0.000 1.159 302 S CA -0.314 57.435 58.200 -0.751 0.000 0.815 302 S CB 1.002 63.981 63.200 -0.367 0.000 1.130 302 S HN 1.050 nan 8.310 nan 0.000 0.471 303 A N 0.373 122.662 122.820 -0.885 0.000 2.067 303 A HA 0.154 4.486 4.320 0.021 0.000 0.217 303 A C 1.682 178.954 177.584 -0.519 0.000 1.156 303 A CA 1.205 52.686 52.037 -0.927 0.000 0.683 303 A CB -0.855 17.457 19.000 -1.148 0.000 0.808 303 A HN 0.862 nan 8.150 nan 0.000 0.455 304 E N -0.772 119.262 120.200 -0.276 0.000 2.112 304 E HA 0.086 4.448 4.350 0.021 0.000 0.190 304 E C -0.369 176.119 176.600 -0.186 0.000 0.979 304 E CA 0.693 57.006 56.400 -0.145 0.000 0.814 304 E CB 0.067 29.811 29.700 0.074 0.000 0.762 304 E HN 0.606 nan 8.360 nan 0.000 0.460 305 I N 1.152 121.564 120.570 -0.264 0.000 2.563 305 I HA 0.139 4.321 4.170 0.021 0.000 0.281 305 I C -2.571 173.303 176.117 -0.405 0.000 1.110 305 I CA -1.906 59.249 61.300 -0.241 0.000 1.073 305 I CB 2.472 40.388 38.000 -0.140 0.000 1.215 305 I HN -0.239 nan 8.210 nan 0.000 0.460 306 P HA 0.065 nan 4.420 nan 0.000 0.238 306 P C -0.536 176.760 177.300 -0.007 0.000 1.714 306 P CA -0.218 62.573 63.100 -0.515 0.000 0.908 306 P CB -0.426 31.156 31.700 -0.197 0.000 1.893 307 N N 1.321 120.043 118.700 0.037 0.000 2.411 307 N HA 0.041 4.794 4.740 0.021 0.000 0.265 307 N C 0.082 175.867 175.510 0.458 0.000 1.266 307 N CA 0.697 53.870 53.050 0.204 0.000 0.889 307 N CB 0.441 39.046 38.487 0.197 0.000 1.069 307 N HN 0.279 nan 8.380 nan 0.000 0.476 308 L N 2.510 123.925 121.223 0.320 0.000 2.341 308 L HA 0.496 4.849 4.340 0.021 0.000 0.267 308 L C -0.818 176.225 176.870 0.288 0.000 1.009 308 L CA -0.859 54.206 54.840 0.375 0.000 0.819 308 L CB 1.216 43.432 42.059 0.262 0.000 1.323 308 L HN 0.384 nan 8.230 nan 0.000 0.425 309 Y N 0.286 120.721 120.300 0.225 0.000 2.633 309 Y HA 0.583 5.146 4.550 0.022 0.000 0.339 309 Y C -0.216 175.797 175.900 0.188 0.000 1.045 309 Y CA -1.035 57.199 58.100 0.223 0.000 1.098 309 Y CB 1.711 40.341 38.460 0.283 0.000 1.296 309 Y HN 0.394 nan 8.280 nan 0.000 0.494 310 R N 0.986 121.722 120.500 0.395 0.000 2.445 310 R HA 0.852 5.205 4.340 0.021 0.000 0.308 310 R C -1.509 174.992 176.300 0.335 0.000 0.961 310 R CA -0.595 55.677 56.100 0.286 0.000 0.862 310 R CB 1.034 31.431 30.300 0.162 0.000 1.144 310 R HN 0.801 nan 8.270 nan 0.000 0.447 311 A N 3.960 126.918 122.820 0.229 0.000 2.318 311 A HA 0.578 4.911 4.320 0.021 0.000 0.317 311 A C -1.141 176.512 177.584 0.117 0.000 1.159 311 A CA -0.648 51.508 52.037 0.197 0.000 0.799 311 A CB 1.474 20.562 19.000 0.147 0.000 1.194 311 A HN 0.474 nan 8.150 nan 0.000 0.479 312 V N 2.894 122.887 119.914 0.132 0.000 2.495 312 V HA 0.478 4.611 4.120 0.021 0.000 0.298 312 V C -0.399 175.686 176.094 -0.016 0.000 1.031 312 V CA -0.559 61.758 62.300 0.027 0.000 0.871 312 V CB 1.617 33.467 31.823 0.045 0.000 0.988 312 V HN 0.613 nan 8.190 nan 0.000 0.432 313 V N 4.299 124.140 119.914 -0.122 0.000 2.350 313 V HA 0.445 4.578 4.120 0.021 0.000 0.285 313 V C -0.164 175.872 176.094 -0.096 0.000 1.014 313 V CA -0.544 61.656 62.300 -0.167 0.000 0.831 313 V CB 1.275 32.847 31.823 -0.418 0.000 1.000 313 V HN 0.934 nan 8.190 nan 0.000 0.433 314 E N 3.449 123.642 120.200 -0.012 0.000 2.166 314 E HA 0.551 4.914 4.350 0.021 0.000 0.275 314 E C -1.042 175.605 176.600 0.078 0.000 0.941 314 E CA -0.842 55.596 56.400 0.062 0.000 0.784 314 E CB 2.485 32.281 29.700 0.161 0.000 1.115 314 E HN 0.523 nan 8.360 nan 0.000 0.399 315 L N 5.666 126.925 121.223 0.060 0.000 2.277 315 L HA 0.315 4.668 4.340 0.021 0.000 0.284 315 L C -0.893 176.032 176.870 0.092 0.000 1.028 315 L CA -0.072 54.784 54.840 0.026 0.000 0.835 315 L CB 0.142 42.217 42.059 0.027 0.000 1.215 315 L HN 0.584 nan 8.230 nan 0.000 0.425 316 H N 1.159 120.259 119.070 0.050 0.000 2.941 316 H HA 0.690 5.259 4.556 0.021 0.000 0.344 316 H C -0.840 174.555 175.328 0.111 0.000 1.235 316 H CA -0.361 55.726 56.048 0.065 0.000 1.149 316 H CB 1.022 30.807 29.762 0.038 0.000 1.885 316 H HN 0.493 nan 8.280 nan 0.000 0.558 317 T N -2.997 111.731 114.554 0.290 0.000 2.862 317 T HA 0.522 4.885 4.350 0.021 0.000 0.276 317 T C 1.370 176.259 174.700 0.315 0.000 0.974 317 T CA -0.252 62.021 62.100 0.288 0.000 0.966 317 T CB 1.220 70.204 68.868 0.194 0.000 1.072 317 T HN 0.760 nan 8.240 nan 0.000 0.538 318 A N 0.524 123.490 122.820 0.243 0.000 2.066 318 A HA -0.002 4.331 4.320 0.021 0.000 0.218 318 A C 1.858 179.522 177.584 0.134 0.000 1.157 318 A CA 1.169 53.325 52.037 0.198 0.000 0.670 318 A CB -0.863 18.224 19.000 0.144 0.000 0.804 318 A HN 0.959 nan 8.150 nan 0.000 0.453 319 D N -1.509 118.942 120.400 0.084 0.000 2.352 319 D HA 0.168 4.821 4.640 0.021 0.000 0.232 319 D C 1.131 177.447 176.300 0.025 0.000 1.055 319 D CA 0.903 54.922 54.000 0.032 0.000 0.891 319 D CB -0.312 40.482 40.800 -0.010 0.000 0.897 319 D HN 0.664 nan 8.370 nan 0.000 0.529 320 G N 0.425 109.256 108.800 0.051 0.000 2.175 320 G HA2 -0.247 3.725 3.960 0.021 0.000 0.244 320 G HA3 -0.247 3.725 3.960 0.021 0.000 0.244 320 G C 0.362 175.251 174.900 -0.018 0.000 0.982 320 G CA 0.198 45.277 45.100 -0.035 0.000 0.641 320 G HN 0.402 nan 8.290 nan 0.000 0.527 321 T N 1.931 116.513 114.554 0.047 0.000 2.794 321 T HA 0.493 4.855 4.350 0.021 0.000 0.296 321 T C 0.553 175.318 174.700 0.108 0.000 0.949 321 T CA -0.218 61.912 62.100 0.050 0.000 1.101 321 T CB 1.658 70.545 68.868 0.032 0.000 0.905 321 T HN 0.289 nan 8.240 nan 0.000 0.516 322 L N 4.602 125.871 121.223 0.076 0.000 2.313 322 L HA 0.227 4.579 4.340 0.021 0.000 0.282 322 L C 0.707 177.630 176.870 0.089 0.000 1.092 322 L CA -0.211 54.689 54.840 0.101 0.000 0.831 322 L CB 0.658 42.752 42.059 0.060 0.000 1.159 322 L HN 0.698 nan 8.230 nan 0.000 0.442 323 I N 3.267 123.897 120.570 0.101 0.000 2.339 323 I HA -0.008 4.175 4.170 0.021 0.000 0.245 323 I C 0.801 176.939 176.117 0.034 0.000 1.096 323 I CA 0.827 62.164 61.300 0.062 0.000 1.408 323 I CB 0.187 38.221 38.000 0.056 0.000 1.092 323 I HN 0.709 nan 8.210 nan 0.000 0.423 324 E N -0.430 119.792 120.200 0.037 0.000 2.398 324 E HA 0.618 4.981 4.350 0.021 0.000 0.280 324 E C -1.837 174.782 176.600 0.030 0.000 1.122 324 E CA -0.946 55.467 56.400 0.021 0.000 0.873 324 E CB 0.969 30.643 29.700 -0.043 0.000 1.294 324 E HN -0.067 nan 8.360 nan 0.000 0.435 325 A N 1.709 124.571 122.820 0.071 0.000 2.475 325 A HA 0.730 5.063 4.320 0.021 0.000 0.301 325 A C -1.062 176.626 177.584 0.173 0.000 1.059 325 A CA -0.685 51.399 52.037 0.077 0.000 0.710 325 A CB 1.819 20.858 19.000 0.065 0.000 1.288 325 A HN 0.529 nan 8.150 nan 0.000 0.408 326 E N -0.309 119.919 120.200 0.047 0.000 2.392 326 E HA 0.793 5.155 4.350 0.021 0.000 0.269 326 E C -0.606 176.010 176.600 0.026 0.000 0.924 326 E CA -0.681 55.808 56.400 0.148 0.000 0.784 326 E CB 2.507 32.220 29.700 0.020 0.000 1.292 326 E HN 1.099 nan 8.360 nan 0.000 0.447 327 A N 0.123 123.095 122.820 0.252 0.000 2.602 327 A HA 0.793 5.126 4.320 0.021 0.000 0.290 327 A C -1.086 176.697 177.584 0.333 0.000 1.114 327 A CA -0.461 51.656 52.037 0.133 0.000 0.683 327 A CB 1.115 20.075 19.000 -0.068 0.000 1.281 327 A HN 0.878 nan 8.150 nan 0.000 0.416 328 C N -0.564 118.889 119.300 0.256 0.000 3.311 328 C HA 0.785 5.258 4.460 0.021 0.000 0.325 328 C C -1.471 173.621 174.990 0.169 0.000 1.352 328 C CA -0.930 58.236 59.018 0.246 0.000 1.308 328 C CB 1.027 28.940 27.740 0.290 0.000 1.619 328 C HN 0.816 nan 8.230 nan 0.000 0.469 329 D N 0.977 121.459 120.400 0.137 0.000 2.302 329 D HA 0.569 5.221 4.640 0.021 0.000 0.248 329 D C -0.353 176.004 176.300 0.095 0.000 1.094 329 D CA 0.149 54.231 54.000 0.137 0.000 0.897 329 D CB 1.904 42.789 40.800 0.140 0.000 1.200 329 D HN 0.552 nan 8.370 nan 0.000 0.429 330 V N 0.721 120.716 119.914 0.135 0.000 2.604 330 V HA 0.709 4.842 4.120 0.021 0.000 0.305 330 V C 0.457 176.607 176.094 0.092 0.000 1.043 330 V CA -0.760 61.561 62.300 0.036 0.000 0.888 330 V CB 2.151 33.977 31.823 0.005 0.000 0.995 330 V HN 0.632 nan 8.190 nan 0.000 0.429 331 G N 2.699 111.447 108.800 -0.086 0.000 2.609 331 G HA2 0.634 4.606 3.960 0.021 0.000 0.308 331 G HA3 0.634 4.606 3.960 0.021 0.000 0.308 331 G C -1.267 173.640 174.900 0.012 0.000 1.369 331 G CA -0.404 44.710 45.100 0.024 0.000 0.958 331 G HN 0.405 nan 8.290 nan 0.000 0.499 332 F N 2.330 122.423 119.950 0.239 0.000 2.413 332 F HA 0.550 5.089 4.527 0.020 0.000 0.359 332 F C 0.917 176.923 175.800 0.344 0.000 1.122 332 F CA -0.210 57.994 58.000 0.339 0.000 1.160 332 F CB 1.083 40.295 39.000 0.352 0.000 1.146 332 F HN 0.508 nan 8.300 nan 0.000 0.514 333 R N 1.338 122.109 120.500 0.452 0.000 2.629 333 R HA 0.475 4.827 4.340 0.021 0.000 0.266 333 R C -1.669 174.806 176.300 0.292 0.000 1.051 333 R CA -1.062 55.168 56.100 0.218 0.000 0.895 333 R CB 1.449 31.887 30.300 0.229 0.000 1.246 333 R HN 0.444 nan 8.270 nan 0.000 0.459 334 E N 1.790 122.074 120.200 0.140 0.000 2.187 334 E HA 0.493 4.856 4.350 0.021 0.000 0.268 334 E C -1.213 175.466 176.600 0.131 0.000 0.896 334 E CA -1.048 55.498 56.400 0.244 0.000 0.766 334 E CB 2.019 31.928 29.700 0.348 0.000 1.142 334 E HN 0.437 nan 8.360 nan 0.000 0.408 335 V N 4.974 124.957 119.914 0.114 0.000 2.409 335 V HA 0.591 4.723 4.120 0.021 0.000 0.291 335 V C -0.246 175.887 176.094 0.065 0.000 1.020 335 V CA -0.677 61.659 62.300 0.061 0.000 0.848 335 V CB 1.365 33.201 31.823 0.021 0.000 0.990 335 V HN 0.683 nan 8.190 nan 0.000 0.430 336 R N 3.830 124.365 120.500 0.057 0.000 2.643 336 R HA 0.636 4.989 4.340 0.021 0.000 0.269 336 R C -1.477 174.847 176.300 0.039 0.000 1.037 336 R CA -0.728 55.406 56.100 0.057 0.000 0.894 336 R CB 2.671 33.017 30.300 0.076 0.000 1.238 336 R HN 0.603 nan 8.270 nan 0.000 0.459 337 I N 1.899 122.492 120.570 0.037 0.000 2.312 337 I HA 0.254 4.437 4.170 0.021 0.000 0.290 337 I C -0.332 175.805 176.117 0.032 0.000 1.008 337 I CA -0.164 61.153 61.300 0.028 0.000 1.226 337 I CB 1.510 39.527 38.000 0.029 0.000 1.371 337 I HN 0.606 nan 8.210 nan 0.000 0.468 338 E N 6.831 127.047 120.200 0.028 0.000 2.265 338 E HA 0.232 4.594 4.350 0.021 0.000 0.262 338 E C -0.224 176.389 176.600 0.022 0.000 0.889 338 E CA -0.548 55.870 56.400 0.030 0.000 0.789 338 E CB 0.941 30.664 29.700 0.038 0.000 1.221 338 E HN 0.554 nan 8.360 nan 0.000 0.414 339 N N 3.579 122.291 118.700 0.020 0.000 2.754 339 N HA -0.213 4.540 4.740 0.021 0.000 0.248 339 N C 0.552 176.067 175.510 0.010 0.000 1.093 339 N CA 2.134 55.193 53.050 0.015 0.000 0.699 339 N CB -1.231 37.265 38.487 0.015 0.000 1.016 339 N HN 1.095 nan 8.380 nan 0.000 0.552 340 G N -2.223 106.583 108.800 0.009 0.000 2.199 340 G HA2 -0.286 3.686 3.960 0.021 0.000 0.254 340 G HA3 -0.286 3.686 3.960 0.021 0.000 0.254 340 G C -0.021 174.874 174.900 -0.008 0.000 0.982 340 G CA 0.508 45.609 45.100 0.002 0.000 0.632 340 G HN 0.470 nan 8.290 nan 0.000 0.529 341 L N 0.158 121.379 121.223 -0.005 0.000 2.334 341 L HA 0.756 5.108 4.340 0.021 0.000 0.273 341 L C 0.105 176.968 176.870 -0.012 0.000 1.013 341 L CA -1.301 53.530 54.840 -0.015 0.000 0.816 341 L CB 1.810 43.861 42.059 -0.014 0.000 1.278 341 L HN 0.108 nan 8.230 nan 0.000 0.431 342 L N 3.857 125.063 121.223 -0.030 0.000 2.260 342 L HA 0.480 4.833 4.340 0.021 0.000 0.289 342 L C -0.854 175.999 176.870 -0.027 0.000 1.057 342 L CA 0.297 55.120 54.840 -0.029 0.000 0.811 342 L CB 0.476 42.504 42.059 -0.052 0.000 1.184 342 L HN 0.377 nan 8.230 nan 0.000 0.429 343 L N 5.718 126.941 121.223 -0.001 0.000 2.346 343 L HA 0.570 4.923 4.340 0.021 0.000 0.274 343 L C -0.939 175.946 176.870 0.024 0.000 1.007 343 L CA -0.882 53.969 54.840 0.017 0.000 0.818 343 L CB 1.971 44.063 42.059 0.054 0.000 1.284 343 L HN 0.519 nan 8.230 nan 0.000 0.424 344 L N 3.487 124.736 121.223 0.043 0.000 2.349 344 L HA 0.499 4.852 4.340 0.021 0.000 0.278 344 L C -0.223 176.691 176.870 0.074 0.000 0.996 344 L CA -0.008 54.867 54.840 0.059 0.000 0.825 344 L CB 1.055 43.159 42.059 0.075 0.000 1.243 344 L HN 0.572 nan 8.230 nan 0.000 0.412 345 N N 4.353 122.994 118.700 -0.098 0.000 2.714 345 N HA -0.229 4.524 4.740 0.021 0.000 0.252 345 N C 0.998 176.333 175.510 -0.293 0.000 1.014 345 N CA 1.339 54.095 53.050 -0.491 0.000 0.735 345 N CB -1.192 36.810 38.487 -0.808 0.000 0.924 345 N HN 1.204 nan 8.380 nan 0.000 0.540 346 G N -1.889 106.944 108.800 0.056 0.000 2.234 346 G HA2 -0.367 3.606 3.960 0.021 0.000 0.260 346 G HA3 -0.367 3.606 3.960 0.021 0.000 0.260 346 G C 0.059 175.023 174.900 0.107 0.000 0.987 346 G CA 1.032 46.231 45.100 0.166 0.000 0.625 346 G HN 0.541 nan 8.290 nan 0.000 0.532 347 K N 0.684 121.142 120.400 0.096 0.000 2.238 347 K HA 0.599 4.931 4.320 0.021 0.000 0.239 347 K C -3.090 173.511 176.600 0.002 0.000 0.987 347 K CA -2.029 54.273 56.287 0.025 0.000 0.857 347 K CB 2.625 35.082 32.500 -0.072 0.000 1.154 347 K HN 0.050 nan 8.250 nan 0.000 0.439 348 P HA 0.313 nan 4.420 nan 0.000 0.297 348 P C -0.228 177.025 177.300 -0.077 0.000 1.319 348 P CA -0.465 62.606 63.100 -0.048 0.000 0.810 348 P CB 0.689 32.361 31.700 -0.047 0.000 0.947 349 L N 3.179 124.352 121.223 -0.083 0.000 2.464 349 L HA 0.264 4.616 4.340 0.021 0.000 0.264 349 L C 0.502 177.309 176.870 -0.104 0.000 1.199 349 L CA -0.421 54.359 54.840 -0.099 0.000 0.818 349 L CB 0.261 42.226 42.059 -0.156 0.000 1.102 349 L HN 0.256 nan 8.230 nan 0.000 0.473 350 L N 3.473 124.650 121.223 -0.077 0.000 2.427 350 L HA 0.404 4.757 4.340 0.021 0.000 0.264 350 L C -0.539 176.301 176.870 -0.050 0.000 0.989 350 L CA -0.322 54.463 54.840 -0.091 0.000 0.865 350 L CB 0.892 42.934 42.059 -0.028 0.000 1.209 350 L HN 0.215 nan 8.230 nan 0.000 0.430 351 I N 4.627 125.111 120.570 -0.145 0.000 2.436 351 I HA 0.181 4.364 4.170 0.021 0.000 0.289 351 I C 0.593 176.678 176.117 -0.053 0.000 1.083 351 I CA 0.239 61.464 61.300 -0.126 0.000 1.372 351 I CB 0.337 38.149 38.000 -0.312 0.000 1.408 351 I HN 0.522 nan 8.210 nan 0.000 0.516 352 R N 4.811 125.351 120.500 0.066 0.000 2.471 352 R HA 0.561 4.914 4.340 0.021 0.000 0.292 352 R C 0.399 176.805 176.300 0.176 0.000 1.192 352 R CA -0.277 55.900 56.100 0.128 0.000 1.257 352 R CB 1.107 31.331 30.300 -0.128 0.000 1.130 352 R HN 0.813 nan 8.270 nan 0.000 0.558 353 G N 0.152 109.026 108.800 0.123 0.000 2.816 353 G HA2 0.666 4.638 3.960 0.021 0.000 0.288 353 G HA3 0.666 4.638 3.960 0.021 0.000 0.288 353 G C -1.528 173.621 174.900 0.415 0.000 1.334 353 G CA -0.551 44.633 45.100 0.140 0.000 0.978 353 G HN 0.266 nan 8.290 nan 0.000 0.493 354 V N -0.465 119.677 119.914 0.380 0.000 3.087 354 V HA 0.548 4.681 4.120 0.021 0.000 0.306 354 V C -1.363 174.880 176.094 0.249 0.000 1.187 354 V CA -1.209 61.246 62.300 0.258 0.000 0.999 354 V CB 2.315 34.012 31.823 -0.209 0.000 1.049 354 V HN 0.737 nan 8.190 nan 0.000 0.431 355 N N 4.002 122.771 118.700 0.114 0.000 2.479 355 N HA 0.476 5.229 4.740 0.021 0.000 0.285 355 N C -0.859 174.479 175.510 -0.286 0.000 1.075 355 N CA -0.364 52.628 53.050 -0.096 0.000 0.967 355 N CB 1.658 40.060 38.487 -0.140 0.000 1.137 355 N HN 0.689 nan 8.380 nan 0.000 0.472 356 R N 1.935 122.236 120.500 -0.331 0.000 2.574 356 R HA 0.303 4.656 4.340 0.021 0.000 0.288 356 R C -1.283 174.789 176.300 -0.380 0.000 1.004 356 R CA -0.531 55.385 56.100 -0.306 0.000 0.895 356 R CB 1.003 31.119 30.300 -0.307 0.000 1.191 356 R HN 0.593 nan 8.270 nan 0.000 0.444 357 H N 1.148 120.077 119.070 -0.236 0.000 2.496 357 H HA 0.196 4.765 4.556 0.021 0.000 0.342 357 H C -0.498 174.816 175.328 -0.022 0.000 1.170 357 H CA -0.264 55.721 56.048 -0.104 0.000 1.274 357 H CB 1.559 31.312 29.762 -0.015 0.000 1.538 357 H HN 0.479 nan 8.280 nan 0.000 0.542 358 E N 1.713 122.093 120.200 0.301 0.000 1.941 358 E HA 0.088 4.451 4.350 0.021 0.000 0.275 358 E C -1.007 175.737 176.600 0.241 0.000 1.113 358 E CA -0.037 56.467 56.400 0.174 0.000 0.878 358 E CB 0.197 30.009 29.700 0.186 0.000 1.070 358 E HN 0.402 nan 8.360 nan 0.000 0.399 359 H N 1.628 120.752 119.070 0.089 0.000 2.856 359 H HA 0.242 4.811 4.556 0.021 0.000 0.355 359 H C -1.583 173.783 175.328 0.064 0.000 1.079 359 H CA -0.687 55.408 56.048 0.078 0.000 1.240 359 H CB 0.984 30.779 29.762 0.055 0.000 1.701 359 H HN 0.363 nan 8.280 nan 0.000 0.527 360 H N 6.566 125.338 119.070 -0.497 0.000 2.744 360 H HA 0.203 4.772 4.556 0.021 0.000 0.339 360 H C -2.247 172.684 175.328 -0.662 0.000 1.004 360 H CA -2.471 53.340 56.048 -0.396 0.000 1.257 360 H CB 2.458 32.136 29.762 -0.141 0.000 1.552 360 H HN 0.556 nan 8.280 nan 0.000 0.522 361 P HA -0.114 nan 4.420 nan 0.000 0.218 361 P C 1.316 178.514 177.300 -0.169 0.000 1.148 361 P CA 0.880 63.802 63.100 -0.296 0.000 0.822 361 P CB 0.799 32.373 31.700 -0.209 0.000 0.784 362 L N -1.833 119.411 121.223 0.035 0.000 2.200 362 L HA 0.064 4.417 4.340 0.021 0.000 0.200 362 L C 2.355 179.076 176.870 -0.248 0.000 1.072 362 L CA 0.900 55.636 54.840 -0.173 0.000 0.787 362 L CB -0.761 41.072 42.059 -0.376 0.000 0.957 362 L HN -0.009 nan 8.230 nan 0.000 0.459 363 H N -0.687 118.323 119.070 -0.099 0.000 2.539 363 H HA 0.205 4.774 4.556 0.021 0.000 0.269 363 H C 1.450 176.676 175.328 -0.169 0.000 0.980 363 H CA 0.113 56.028 56.048 -0.221 0.000 1.152 363 H CB 0.307 29.809 29.762 -0.434 0.000 1.407 363 H HN 0.424 nan 8.280 nan 0.000 0.564 364 G N 1.561 110.294 108.800 -0.111 0.000 2.574 364 G HA2 -0.401 3.572 3.960 0.021 0.000 0.301 364 G HA3 -0.401 3.572 3.960 0.021 0.000 0.301 364 G C 0.574 175.402 174.900 -0.119 0.000 1.166 364 G CA 0.416 45.395 45.100 -0.202 0.000 0.971 364 G HN 0.480 nan 8.290 nan 0.000 0.542 365 Q N -0.007 119.743 119.800 -0.083 0.000 2.189 365 Q HA 0.513 4.866 4.340 0.021 0.000 0.221 365 Q C 0.006 176.083 176.000 0.127 0.000 0.848 365 Q CA -0.211 55.581 55.803 -0.017 0.000 1.007 365 Q CB 1.386 30.026 28.738 -0.164 0.000 1.116 365 Q HN 0.356 nan 8.270 nan 0.000 0.481 366 V N 1.892 121.872 119.914 0.110 0.000 2.432 366 V HA 0.247 4.379 4.120 0.021 0.000 0.275 366 V C 0.076 176.220 176.094 0.082 0.000 1.043 366 V CA -0.189 62.184 62.300 0.121 0.000 0.925 366 V CB 1.073 32.896 31.823 -0.000 0.000 0.985 366 V HN 0.362 nan 8.190 nan 0.000 0.466 367 M N 4.588 124.241 119.600 0.088 0.000 2.478 367 M HA 0.496 4.989 4.480 0.021 0.000 0.327 367 M C -0.417 175.834 176.300 -0.081 0.000 1.187 367 M CA -0.712 54.595 55.300 0.013 0.000 1.022 367 M CB 1.474 34.052 32.600 -0.038 0.000 1.629 367 M HN 0.933 nan 8.290 nan 0.000 0.461 368 D N -1.526 118.841 120.400 -0.055 0.000 2.547 368 D HA 0.266 4.919 4.640 0.021 0.000 0.231 368 D C 0.382 176.666 176.300 -0.025 0.000 1.099 368 D CA -0.705 53.261 54.000 -0.057 0.000 0.901 368 D CB 1.426 42.221 40.800 -0.008 0.000 1.478 368 D HN 0.693 nan 8.370 nan 0.000 0.471 369 E N -0.262 119.932 120.200 -0.010 0.000 2.085 369 E HA -0.303 4.059 4.350 0.021 0.000 0.194 369 E C 1.345 177.990 176.600 0.075 0.000 0.994 369 E CA 1.384 57.808 56.400 0.039 0.000 0.801 369 E CB 0.109 29.845 29.700 0.060 0.000 0.743 369 E HN 0.446 nan 8.360 nan 0.000 0.453 370 Q N 0.121 119.968 119.800 0.078 0.000 2.030 370 Q HA -0.142 4.210 4.340 0.021 0.000 0.204 370 Q C 2.370 178.435 176.000 0.107 0.000 0.986 370 Q CA 2.080 57.939 55.803 0.093 0.000 0.843 370 Q CB -1.017 27.779 28.738 0.096 0.000 0.904 370 Q HN 0.326 nan 8.270 nan 0.000 0.420 371 T N 1.771 116.401 114.554 0.126 0.000 2.684 371 T HA -0.129 4.233 4.350 0.021 0.000 0.267 371 T C 2.042 176.828 174.700 0.142 0.000 1.036 371 T CA 1.534 63.721 62.100 0.144 0.000 1.148 371 T CB -0.219 68.764 68.868 0.190 0.000 0.863 371 T HN 0.210 nan 8.240 nan 0.000 0.436 372 M N 0.583 120.272 119.600 0.148 0.000 2.065 372 M HA -0.121 4.372 4.480 0.021 0.000 0.259 372 M C 2.493 178.919 176.300 0.211 0.000 1.069 372 M CA 1.464 56.928 55.300 0.273 0.000 1.110 372 M CB -0.769 32.029 32.600 0.330 0.000 1.328 372 M HN 0.098 nan 8.290 nan 0.000 0.405 373 V N 0.076 120.047 119.914 0.096 0.000 2.343 373 V HA -0.297 3.835 4.120 0.021 0.000 0.247 373 V C 2.327 178.406 176.094 -0.025 0.000 1.051 373 V CA 1.942 64.224 62.300 -0.029 0.000 1.036 373 V CB -0.912 30.917 31.823 0.011 0.000 0.654 373 V HN 0.544 nan 8.190 nan 0.000 0.451 374 Q N -0.214 119.623 119.800 0.063 0.000 2.030 374 Q HA -0.281 4.072 4.340 0.021 0.000 0.204 374 Q C 2.126 178.199 176.000 0.121 0.000 0.986 374 Q CA 2.257 58.115 55.803 0.092 0.000 0.843 374 Q CB -0.190 28.618 28.738 0.118 0.000 0.904 374 Q HN 0.618 nan 8.270 nan 0.000 0.420 375 D N 0.307 120.806 120.400 0.165 0.000 2.126 375 D HA -0.207 4.446 4.640 0.021 0.000 0.190 375 D C 1.899 178.168 176.300 -0.051 0.000 1.001 375 D CA 1.349 55.451 54.000 0.171 0.000 0.841 375 D CB -0.359 40.534 40.800 0.154 0.000 0.949 375 D HN 0.335 nan 8.370 nan 0.000 0.446 376 I N 0.527 121.051 120.570 -0.078 0.000 2.127 376 I HA -0.276 3.907 4.170 0.021 0.000 0.241 376 I C 2.455 178.446 176.117 -0.211 0.000 1.075 376 I CA 0.856 62.004 61.300 -0.253 0.000 1.334 376 I CB -0.248 37.483 38.000 -0.449 0.000 1.040 376 I HN 0.012 nan 8.210 nan 0.000 0.405 377 L N 0.005 121.139 121.223 -0.147 0.000 2.083 377 L HA -0.223 4.130 4.340 0.021 0.000 0.209 377 L C 2.536 179.479 176.870 0.122 0.000 1.083 377 L CA 1.218 56.063 54.840 0.008 0.000 0.752 377 L CB -0.631 41.458 42.059 0.050 0.000 0.899 377 L HN 0.295 nan 8.230 nan 0.000 0.433 378 L N -0.861 120.456 121.223 0.156 0.000 2.083 378 L HA -0.227 4.125 4.340 0.021 0.000 0.209 378 L C 2.716 179.763 176.870 0.296 0.000 1.083 378 L CA 1.327 56.344 54.840 0.295 0.000 0.752 378 L CB -0.317 42.042 42.059 0.499 0.000 0.899 378 L HN 0.322 nan 8.230 nan 0.000 0.433 379 M N -0.706 118.912 119.600 0.030 0.000 2.077 379 M HA -0.210 4.282 4.480 0.021 0.000 0.261 379 M C 2.292 178.678 176.300 0.143 0.000 1.070 379 M CA 1.732 56.997 55.300 -0.059 0.000 1.125 379 M CB -0.439 31.889 32.600 -0.455 0.000 1.339 379 M HN 0.090 nan 8.290 nan 0.000 0.409 380 K N 0.285 120.655 120.400 -0.049 0.000 2.103 380 K HA -0.191 4.141 4.320 0.021 0.000 0.207 380 K C 1.946 178.513 176.600 -0.054 0.000 1.048 380 K CA 1.380 57.517 56.287 -0.250 0.000 0.930 380 K CB -0.263 31.834 32.500 -0.672 0.000 0.716 380 K HN 0.509 nan 8.250 nan 0.000 0.444 381 Q N 0.254 120.208 119.800 0.255 0.000 2.224 381 Q HA -0.030 4.322 4.340 0.021 0.000 0.203 381 Q C 1.041 177.341 176.000 0.500 0.000 0.970 381 Q CA 0.700 56.791 55.803 0.480 0.000 0.865 381 Q CB 0.140 29.147 28.738 0.447 0.000 0.922 381 Q HN 0.272 nan 8.270 nan 0.000 0.445 382 N N 0.717 119.657 118.700 0.399 0.000 2.295 382 N HA 0.031 4.783 4.740 0.021 0.000 0.221 382 N C -0.586 175.005 175.510 0.136 0.000 1.129 382 N CA 0.108 53.371 53.050 0.355 0.000 0.836 382 N CB 0.590 39.356 38.487 0.465 0.000 1.040 382 N HN 0.201 nan 8.380 nan 0.000 0.494 383 N N -0.244 118.533 118.700 0.129 0.000 2.882 383 N HA -0.169 4.584 4.740 0.021 0.000 0.249 383 N C -0.905 174.432 175.510 -0.288 0.000 1.079 383 N CA 0.643 53.652 53.050 -0.069 0.000 0.800 383 N CB -1.730 36.611 38.487 -0.243 0.000 1.124 383 N HN 0.208 nan 8.380 nan 0.000 0.557 384 F N 0.862 120.807 119.950 -0.009 0.000 2.385 384 F HA 0.322 4.862 4.527 0.020 0.000 0.336 384 F C 1.819 177.597 175.800 -0.037 0.000 1.100 384 F CA -0.384 57.598 58.000 -0.029 0.000 1.116 384 F CB 0.943 39.902 39.000 -0.068 0.000 1.166 384 F HN -0.105 nan 8.300 nan 0.000 0.511 385 N N 0.617 119.428 118.700 0.185 0.000 2.463 385 N HA 0.399 5.152 4.740 0.021 0.000 0.183 385 N C -0.561 174.994 175.510 0.075 0.000 1.064 385 N CA 0.004 53.114 53.050 0.100 0.000 0.879 385 N CB 0.511 39.149 38.487 0.253 0.000 1.148 385 N HN 0.602 nan 8.380 nan 0.000 0.451 386 A N 0.328 123.269 122.820 0.201 0.000 2.587 386 A HA 0.644 4.976 4.320 0.021 0.000 0.293 386 A C -1.753 176.021 177.584 0.317 0.000 1.087 386 A CA -0.420 51.786 52.037 0.282 0.000 0.692 386 A CB 1.812 21.028 19.000 0.360 0.000 1.291 386 A HN -0.068 nan 8.150 nan 0.000 0.407 387 V N 0.913 121.054 119.914 0.378 0.000 2.925 387 V HA 0.786 4.919 4.120 0.021 0.000 0.311 387 V C -0.568 175.685 176.094 0.265 0.000 1.104 387 V CA -0.786 61.712 62.300 0.330 0.000 0.954 387 V CB 1.896 33.825 31.823 0.177 0.000 1.022 387 V HN 1.055 nan 8.190 nan 0.000 0.427 388 R N 4.631 125.144 120.500 0.021 0.000 2.338 388 R HA 0.457 4.809 4.340 0.021 0.000 0.317 388 R C -0.713 175.460 176.300 -0.212 0.000 0.968 388 R CA -0.521 55.410 56.100 -0.281 0.000 0.849 388 R CB 1.045 30.943 30.300 -0.670 0.000 1.128 388 R HN 0.831 nan 8.270 nan 0.000 0.448 389 C N 4.195 123.394 119.300 -0.168 0.000 3.183 389 C HA 0.104 4.576 4.460 0.021 0.000 0.545 389 C C 0.594 175.296 174.990 -0.480 0.000 1.044 389 C CA -0.557 58.299 59.018 -0.270 0.000 1.117 389 C CB -2.180 25.501 27.740 -0.098 0.000 1.393 389 C HN 0.706 nan 8.230 nan 0.000 0.611 390 S N 1.297 116.609 115.700 -0.647 0.000 2.466 390 S HA 0.119 4.602 4.470 0.021 0.000 0.286 390 S C -0.049 173.647 174.600 -1.507 0.000 1.221 390 S CA 0.255 57.800 58.200 -1.091 0.000 1.091 390 S CB 0.003 62.500 63.200 -1.171 0.000 0.956 390 S HN 0.738 nan 8.310 nan 0.000 0.501 391 H N 3.485 121.912 119.070 -1.071 0.000 2.712 391 H HA 0.303 4.872 4.556 0.021 0.000 0.226 391 H C -1.068 174.117 175.328 -0.238 0.000 1.422 391 H CA -0.379 55.434 56.048 -0.393 0.000 1.270 391 H CB -0.159 29.592 29.762 -0.018 0.000 1.891 391 H HN 0.891 nan 8.280 nan 0.000 0.518 392 Y N -2.960 117.431 120.300 0.152 0.000 2.810 392 Y HA 0.429 4.991 4.550 0.021 0.000 0.355 392 Y C -3.349 172.646 175.900 0.159 0.000 1.211 392 Y CA -3.093 55.105 58.100 0.164 0.000 1.112 392 Y CB -0.028 38.533 38.460 0.168 0.000 1.383 392 Y HN -0.129 nan 8.280 nan 0.000 0.458 393 P HA 0.191 nan 4.420 nan 0.000 0.268 393 P C -0.707 176.881 177.300 0.480 0.000 1.205 393 P CA 0.177 63.521 63.100 0.407 0.000 0.771 393 P CB 0.606 32.479 31.700 0.288 0.000 0.858 394 N N 0.282 119.268 118.700 0.478 0.000 2.491 394 N HA 0.119 4.871 4.740 0.021 0.000 0.279 394 N C -0.032 175.716 175.510 0.396 0.000 1.236 394 N CA -0.645 52.611 53.050 0.343 0.000 0.982 394 N CB 0.416 38.912 38.487 0.015 0.000 1.194 394 N HN 0.583 nan 8.380 nan 0.000 0.582 395 H N 1.999 121.182 119.070 0.188 0.000 3.070 395 H HA 0.016 4.584 4.556 0.021 0.000 0.313 395 H C -1.694 173.816 175.328 0.304 0.000 0.997 395 H CA -0.948 55.206 56.048 0.178 0.000 1.438 395 H CB 1.001 30.826 29.762 0.106 0.000 1.455 395 H HN 0.417 nan 8.280 nan 0.000 0.575 396 P HA -0.239 nan 4.420 nan 0.000 0.218 396 P C 1.821 179.455 177.300 0.557 0.000 1.152 396 P CA 0.820 64.173 63.100 0.421 0.000 0.857 396 P CB 0.198 31.977 31.700 0.131 0.000 0.787 397 L N -1.291 120.323 121.223 0.652 0.000 2.131 397 L HA -0.077 4.275 4.340 0.021 0.000 0.210 397 L C 2.356 179.411 176.870 0.308 0.000 1.092 397 L CA 1.449 56.545 54.840 0.427 0.000 0.759 397 L CB -1.401 40.869 42.059 0.351 0.000 0.903 397 L HN 0.062 nan 8.230 nan 0.000 0.435 398 W N -0.344 120.998 121.300 0.070 0.000 2.302 398 W HA -0.382 4.290 4.660 0.020 0.000 0.320 398 W C 2.220 178.561 176.519 -0.296 0.000 1.241 398 W CA 2.257 59.483 57.345 -0.199 0.000 1.264 398 W CB -0.485 28.746 29.460 -0.382 0.000 1.154 398 W HN 0.277 nan 8.180 nan 0.000 0.483 399 Y N 0.525 120.752 120.300 -0.122 0.000 2.224 399 Y HA -0.227 4.335 4.550 0.021 0.000 0.289 399 Y C 2.856 178.477 175.900 -0.464 0.000 1.146 399 Y CA 2.101 59.896 58.100 -0.508 0.000 1.182 399 Y CB -1.411 36.433 38.460 -1.027 0.000 0.983 399 Y HN -0.196 nan 8.280 nan 0.000 0.524 400 T N 0.802 115.324 114.554 -0.054 0.000 2.708 400 T HA -0.169 4.194 4.350 0.021 0.000 0.266 400 T C 2.030 176.757 174.700 0.046 0.000 1.037 400 T CA 1.515 63.678 62.100 0.105 0.000 1.146 400 T CB -0.587 68.414 68.868 0.222 0.000 0.865 400 T HN 0.229 nan 8.240 nan 0.000 0.435 401 L N 0.412 121.630 121.223 -0.007 0.000 2.012 401 L HA -0.154 4.198 4.340 0.021 0.000 0.210 401 L C 2.942 179.808 176.870 -0.007 0.000 1.073 401 L CA 1.130 55.997 54.840 0.045 0.000 0.748 401 L CB -0.905 41.124 42.059 -0.050 0.000 0.891 401 L HN 0.393 nan 8.230 nan 0.000 0.431 402 C N -0.175 118.948 119.300 -0.294 0.000 2.425 402 C HA -0.157 4.316 4.460 0.021 0.000 0.277 402 C C 2.444 177.479 174.990 0.075 0.000 1.280 402 C CA 0.500 59.379 59.018 -0.233 0.000 1.744 402 C CB -0.849 26.640 27.740 -0.419 0.000 1.989 402 C HN 0.544 nan 8.230 nan 0.000 0.491 403 D N 0.384 120.824 120.400 0.067 0.000 2.123 403 D HA -0.108 4.545 4.640 0.021 0.000 0.196 403 D C 2.403 178.919 176.300 0.361 0.000 0.992 403 D CA 1.248 55.364 54.000 0.194 0.000 0.833 403 D CB -0.319 40.552 40.800 0.119 0.000 0.954 403 D HN 0.542 nan 8.370 nan 0.000 0.455 404 R N -1.015 119.587 120.500 0.170 0.000 2.080 404 R HA 0.001 4.354 4.340 0.021 0.000 0.222 404 R C 2.152 178.399 176.300 -0.088 0.000 1.107 404 R CA 0.608 56.734 56.100 0.043 0.000 0.980 404 R CB -0.220 30.027 30.300 -0.088 0.000 0.879 404 R HN 0.274 nan 8.270 nan 0.000 0.439 405 Y N -0.133 120.173 120.300 0.010 0.000 2.475 405 Y HA 0.168 4.730 4.550 0.021 0.000 0.289 405 Y C 0.989 176.807 175.900 -0.136 0.000 1.121 405 Y CA 0.796 58.871 58.100 -0.042 0.000 1.257 405 Y CB 0.726 39.129 38.460 -0.094 0.000 1.026 405 Y HN 0.269 nan 8.280 nan 0.000 0.555 406 G N 1.161 109.979 108.800 0.030 0.000 3.026 406 G HA2 -0.164 3.808 3.960 0.021 0.000 0.252 406 G HA3 -0.164 3.808 3.960 0.021 0.000 0.252 406 G C -1.044 173.678 174.900 -0.297 0.000 1.070 406 G CA -0.531 44.443 45.100 -0.210 0.000 1.183 406 G HN 0.162 nan 8.290 nan 0.000 0.571 407 L N 0.477 121.604 121.223 -0.160 0.000 2.422 407 L HA 0.528 4.881 4.340 0.021 0.000 0.264 407 L C 0.093 176.920 176.870 -0.071 0.000 0.984 407 L CA -1.390 53.308 54.840 -0.237 0.000 0.819 407 L CB 1.952 43.897 42.059 -0.189 0.000 1.330 407 L HN 0.377 nan 8.230 nan 0.000 0.410 408 Y N 1.847 122.258 120.300 0.185 0.000 2.359 408 Y HA 0.340 4.904 4.550 0.023 0.000 0.330 408 Y C 0.193 176.200 175.900 0.178 0.000 1.143 408 Y CA -0.639 57.601 58.100 0.233 0.000 1.318 408 Y CB 1.148 39.732 38.460 0.208 0.000 1.234 408 Y HN 0.144 nan 8.280 nan 0.000 0.522 409 V N 4.355 124.445 119.914 0.294 0.000 2.604 409 V HA 0.294 4.426 4.120 0.021 0.000 0.305 409 V C -0.543 175.631 176.094 0.133 0.000 1.043 409 V CA -1.027 61.391 62.300 0.197 0.000 0.888 409 V CB 1.881 33.784 31.823 0.135 0.000 0.995 409 V HN 0.464 nan 8.190 nan 0.000 0.429 410 V N 3.392 123.365 119.914 0.099 0.000 2.318 410 V HA 0.293 4.426 4.120 0.021 0.000 0.271 410 V C -0.206 175.922 176.094 0.056 0.000 1.030 410 V CA -0.310 61.997 62.300 0.012 0.000 0.844 410 V CB 1.319 33.065 31.823 -0.128 0.000 1.015 410 V HN 0.884 nan 8.190 nan 0.000 0.460 411 D N 4.224 124.685 120.400 0.102 0.000 2.277 411 D HA 0.303 4.956 4.640 0.021 0.000 0.249 411 D C -0.172 176.296 176.300 0.281 0.000 1.134 411 D CA 0.043 54.194 54.000 0.251 0.000 0.863 411 D CB 1.170 42.153 40.800 0.306 0.000 1.143 411 D HN 0.665 nan 8.370 nan 0.000 0.458 412 E N 1.656 121.993 120.200 0.227 0.000 2.210 412 E HA 0.619 4.982 4.350 0.021 0.000 0.266 412 E C -1.037 175.689 176.600 0.211 0.000 0.883 412 E CA -1.088 55.433 56.400 0.202 0.000 0.761 412 E CB 1.401 31.175 29.700 0.124 0.000 1.156 412 E HN 0.480 nan 8.360 nan 0.000 0.412 413 A N 3.605 126.544 122.820 0.199 0.000 2.445 413 A HA 0.060 4.393 4.320 0.021 0.000 0.242 413 A C 0.323 178.027 177.584 0.201 0.000 1.075 413 A CA -0.219 51.920 52.037 0.169 0.000 0.777 413 A CB 0.164 19.230 19.000 0.110 0.000 1.013 413 A HN 0.672 nan 8.150 nan 0.000 0.493 414 N N 1.146 119.972 118.700 0.210 0.000 3.050 414 N HA 0.263 5.016 4.740 0.021 0.000 0.289 414 N C -1.067 174.567 175.510 0.207 0.000 1.209 414 N CA 0.215 53.424 53.050 0.265 0.000 1.154 414 N CB -0.860 37.779 38.487 0.254 0.000 1.444 414 N HN 0.475 nan 8.380 nan 0.000 0.529 415 I N 0.897 121.582 120.570 0.192 0.000 2.503 415 I HA 0.247 4.430 4.170 0.021 0.000 0.282 415 I C -0.586 175.622 176.117 0.152 0.000 1.059 415 I CA -0.547 60.846 61.300 0.155 0.000 1.081 415 I CB 1.722 39.784 38.000 0.104 0.000 1.210 415 I HN 0.212 nan 8.210 nan 0.000 0.450 416 E N 4.423 124.713 120.200 0.149 0.000 2.281 416 E HA 0.315 4.678 4.350 0.021 0.000 0.266 416 E C -0.464 176.195 176.600 0.099 0.000 0.893 416 E CA -0.414 56.049 56.400 0.105 0.000 0.798 416 E CB 1.559 31.303 29.700 0.073 0.000 1.245 416 E HN 0.605 nan 8.360 nan 0.000 0.410 417 T N 0.754 115.360 114.554 0.086 0.000 3.308 417 T HA 0.141 4.504 4.350 0.021 0.000 0.270 417 T C 0.984 175.737 174.700 0.088 0.000 0.992 417 T CA -0.255 61.919 62.100 0.122 0.000 0.931 417 T CB -0.288 68.635 68.868 0.092 0.000 1.142 417 T HN 0.662 nan 8.240 nan 0.000 0.525 418 H N 1.285 120.286 119.070 -0.116 0.000 2.362 418 H HA -0.120 4.450 4.556 0.022 0.000 0.294 418 H C 2.257 177.482 175.328 -0.173 0.000 1.113 418 H CA 1.492 57.442 56.048 -0.165 0.000 1.253 418 H CB -0.250 29.372 29.762 -0.234 0.000 1.363 418 H HN 0.587 nan 8.280 nan 0.000 0.494 419 G N 0.036 108.753 108.800 -0.139 0.000 2.776 419 G HA2 -0.009 3.963 3.960 0.021 0.000 0.209 419 G HA3 -0.009 3.963 3.960 0.021 0.000 0.209 419 G C 0.323 175.385 174.900 0.269 0.000 1.145 419 G CA -0.106 44.956 45.100 -0.064 0.000 0.791 419 G HN 0.161 nan 8.290 nan 0.000 0.530 420 M N 0.291 120.038 119.600 0.245 0.000 2.283 420 M HA 0.404 4.897 4.480 0.021 0.000 0.314 420 M C -0.506 175.822 176.300 0.047 0.000 1.153 420 M CA -0.488 54.892 55.300 0.133 0.000 1.084 420 M CB 1.610 34.239 32.600 0.049 0.000 1.468 420 M HN -0.224 nan 8.290 nan 0.000 0.474 421 V N 3.051 122.970 119.914 0.008 0.000 2.483 421 V HA 0.402 4.535 4.120 0.021 0.000 0.297 421 V C -1.935 174.143 176.094 -0.026 0.000 1.027 421 V CA -1.255 61.038 62.300 -0.012 0.000 0.855 421 V CB 1.727 33.540 31.823 -0.017 0.000 0.995 421 V HN 0.732 nan 8.190 nan 0.000 0.424 422 P HA 0.248 nan 4.420 nan 0.000 0.286 422 P C 1.066 178.359 177.300 -0.011 0.000 1.293 422 P CA -0.498 62.591 63.100 -0.019 0.000 0.770 422 P CB 0.937 32.627 31.700 -0.017 0.000 1.206 423 M N -0.289 119.309 119.600 -0.003 0.000 2.149 423 M HA -0.189 4.303 4.480 0.021 0.000 0.261 423 M C 1.966 178.275 176.300 0.016 0.000 1.064 423 M CA 1.824 57.131 55.300 0.011 0.000 1.102 423 M CB -0.596 32.000 32.600 -0.007 0.000 1.369 423 M HN 0.349 nan 8.290 nan 0.000 0.408 424 N N -0.261 118.448 118.700 0.016 0.000 2.205 424 N HA -0.250 4.503 4.740 0.021 0.000 0.186 424 N C 1.662 177.138 175.510 -0.055 0.000 1.015 424 N CA 0.965 54.020 53.050 0.008 0.000 0.862 424 N CB -0.038 38.444 38.487 -0.008 0.000 0.986 424 N HN 0.286 nan 8.380 nan 0.000 0.429 425 R N 0.833 121.288 120.500 -0.075 0.000 2.189 425 R HA -0.216 4.137 4.340 0.021 0.000 0.252 425 R C 1.909 178.085 176.300 -0.206 0.000 1.134 425 R CA 1.715 57.742 56.100 -0.120 0.000 0.954 425 R CB -0.268 29.960 30.300 -0.119 0.000 0.890 425 R HN 0.275 nan 8.270 nan 0.000 0.443 426 L N -1.110 119.926 121.223 -0.312 0.000 2.202 426 L HA -0.000 4.353 4.340 0.021 0.000 0.205 426 L C 2.460 179.153 176.870 -0.296 0.000 1.083 426 L CA 1.282 55.796 54.840 -0.543 0.000 0.790 426 L CB -0.489 41.010 42.059 -0.934 0.000 0.942 426 L HN 0.437 nan 8.230 nan 0.000 0.452 427 T N -4.394 110.034 114.554 -0.210 0.000 3.051 427 T HA -0.155 4.208 4.350 0.021 0.000 0.269 427 T C 1.248 175.846 174.700 -0.170 0.000 1.127 427 T CA 1.129 63.098 62.100 -0.218 0.000 1.107 427 T CB -0.196 68.508 68.868 -0.274 0.000 0.898 427 T HN 0.094 nan 8.240 nan 0.000 0.517 428 D N 1.013 121.347 120.400 -0.109 0.000 2.349 428 D HA 0.115 4.768 4.640 0.021 0.000 0.214 428 D C -0.250 176.024 176.300 -0.043 0.000 1.063 428 D CA -0.162 53.790 54.000 -0.081 0.000 0.847 428 D CB -0.014 40.746 40.800 -0.067 0.000 0.933 428 D HN 0.335 nan 8.370 nan 0.000 0.513 429 D N -0.212 120.178 120.400 -0.016 0.000 2.329 429 D HA 0.135 4.788 4.640 0.021 0.000 0.232 429 D C -1.704 174.664 176.300 0.112 0.000 1.088 429 D CA -2.280 51.759 54.000 0.064 0.000 0.835 429 D CB 2.041 42.915 40.800 0.122 0.000 1.078 429 D HN -0.091 nan 8.370 nan 0.000 0.495 430 P HA -0.180 nan 4.420 nan 0.000 0.217 430 P C 0.983 178.292 177.300 0.014 0.000 1.148 430 P CA 1.133 64.245 63.100 0.020 0.000 0.834 430 P CB 0.127 31.827 31.700 -0.001 0.000 0.783 431 R N -1.880 118.640 120.500 0.033 0.000 2.241 431 R HA -0.093 4.260 4.340 0.021 0.000 0.224 431 R C 1.543 177.671 176.300 -0.287 0.000 1.101 431 R CA 1.124 57.161 56.100 -0.106 0.000 0.995 431 R CB -0.777 29.440 30.300 -0.138 0.000 0.870 431 R HN 0.358 nan 8.270 nan 0.000 0.463 432 W N 0.192 121.436 121.300 -0.093 0.000 3.278 432 W HA 0.151 4.822 4.660 0.020 0.000 0.308 432 W C 1.603 178.062 176.519 -0.101 0.000 1.253 432 W CA -0.655 56.634 57.345 -0.093 0.000 1.759 432 W CB -0.121 29.282 29.460 -0.095 0.000 1.093 432 W HN -0.018 nan 8.180 nan 0.000 0.648 433 L N 2.498 123.753 121.223 0.054 0.000 2.013 433 L HA -0.114 4.239 4.340 0.021 0.000 0.212 433 L C -0.649 176.183 176.870 -0.062 0.000 1.073 433 L CA 2.424 57.253 54.840 -0.017 0.000 0.753 433 L CB -1.798 40.240 42.059 -0.034 0.000 0.890 433 L HN -0.217 nan 8.230 nan 0.000 0.432 434 P HA -0.147 nan 4.420 nan 0.000 0.213 434 P C 1.681 178.921 177.300 -0.101 0.000 1.170 434 P CA 2.272 65.305 63.100 -0.112 0.000 0.898 434 P CB -0.334 31.291 31.700 -0.125 0.000 0.787 435 A N -0.545 122.221 122.820 -0.090 0.000 1.927 435 A HA -0.256 4.077 4.320 0.021 0.000 0.220 435 A C 2.291 179.877 177.584 0.004 0.000 1.185 435 A CA 2.491 54.508 52.037 -0.034 0.000 0.639 435 A CB -1.623 17.386 19.000 0.015 0.000 0.820 435 A HN 0.119 nan 8.150 nan 0.000 0.451 436 M N -0.543 119.070 119.600 0.021 0.000 2.132 436 M HA -0.136 4.356 4.480 0.021 0.000 0.263 436 M C 2.592 178.839 176.300 -0.087 0.000 1.065 436 M CA 1.701 56.996 55.300 -0.009 0.000 1.122 436 M CB -0.496 32.081 32.600 -0.039 0.000 1.365 436 M HN 0.658 nan 8.290 nan 0.000 0.411 437 S N 0.831 116.452 115.700 -0.132 0.000 2.365 437 S HA -0.213 4.270 4.470 0.021 0.000 0.225 437 S C 1.664 176.100 174.600 -0.272 0.000 1.039 437 S CA 1.680 59.739 58.200 -0.235 0.000 1.033 437 S CB -0.415 62.643 63.200 -0.237 0.000 0.887 437 S HN 0.501 nan 8.310 nan 0.000 0.447 438 E N 0.531 120.617 120.200 -0.190 0.000 2.268 438 E HA -0.071 4.291 4.350 0.021 0.000 0.195 438 E C 2.354 178.870 176.600 -0.140 0.000 0.995 438 E CA 0.689 56.984 56.400 -0.176 0.000 0.836 438 E CB -0.153 29.477 29.700 -0.117 0.000 0.763 438 E HN 0.628 nan 8.360 nan 0.000 0.491 439 R N 0.222 120.665 120.500 -0.095 0.000 2.193 439 R HA -0.020 4.333 4.340 0.021 0.000 0.213 439 R C 2.219 178.480 176.300 -0.066 0.000 1.055 439 R CA 0.477 56.552 56.100 -0.042 0.000 0.995 439 R CB 0.154 30.465 30.300 0.019 0.000 0.893 439 R HN -0.003 nan 8.270 nan 0.000 0.459 440 V N 0.246 120.076 119.914 -0.141 0.000 2.436 440 V HA -0.162 3.971 4.120 0.021 0.000 0.240 440 V C 2.477 178.410 176.094 -0.268 0.000 1.040 440 V CA 2.043 64.242 62.300 -0.167 0.000 1.052 440 V CB -0.287 31.434 31.823 -0.170 0.000 0.707 440 V HN 0.449 nan 8.190 nan 0.000 0.469 441 T N 0.177 114.450 114.554 -0.469 0.000 2.665 441 T HA -0.286 4.077 4.350 0.021 0.000 0.268 441 T C 1.902 176.454 174.700 -0.246 0.000 1.035 441 T CA 1.765 63.523 62.100 -0.569 0.000 1.151 441 T CB -0.492 67.855 68.868 -0.868 0.000 0.862 441 T HN 0.455 nan 8.240 nan 0.000 0.438 442 R N 0.520 120.899 120.500 -0.202 0.000 2.115 442 R HA 0.182 4.534 4.340 0.021 0.000 0.230 442 R C 2.695 178.921 176.300 -0.123 0.000 1.111 442 R CA 1.364 57.378 56.100 -0.143 0.000 0.976 442 R CB -0.564 29.658 30.300 -0.129 0.000 0.870 442 R HN 0.449 nan 8.270 nan 0.000 0.445 443 M N 0.930 120.466 119.600 -0.106 0.000 2.080 443 M HA -0.175 4.318 4.480 0.021 0.000 0.260 443 M C 1.939 178.175 176.300 -0.106 0.000 1.068 443 M CA 1.721 56.987 55.300 -0.057 0.000 1.109 443 M CB 0.033 32.635 32.600 0.003 0.000 1.342 443 M HN 0.003 nan 8.290 nan 0.000 0.405 444 V N 1.091 120.846 119.914 -0.265 0.000 2.295 444 V HA -0.291 3.842 4.120 0.021 0.000 0.246 444 V C 2.330 178.318 176.094 -0.176 0.000 1.049 444 V CA 2.033 64.069 62.300 -0.441 0.000 1.024 444 V CB -1.036 30.477 31.823 -0.517 0.000 0.648 444 V HN 0.583 nan 8.190 nan 0.000 0.447 445 Q N -0.274 119.453 119.800 -0.123 0.000 2.234 445 Q HA -0.250 4.102 4.340 0.021 0.000 0.206 445 Q C 2.382 178.289 176.000 -0.154 0.000 0.980 445 Q CA 1.614 57.348 55.803 -0.114 0.000 0.869 445 Q CB -0.254 28.439 28.738 -0.076 0.000 0.912 445 Q HN 0.593 nan 8.270 nan 0.000 0.436 446 R N 0.489 120.895 120.500 -0.157 0.000 2.112 446 R HA -0.072 4.281 4.340 0.021 0.000 0.216 446 R C 0.553 176.759 176.300 -0.156 0.000 1.080 446 R CA 1.155 57.135 56.100 -0.201 0.000 0.996 446 R CB 0.454 30.636 30.300 -0.196 0.000 0.902 446 R HN 0.102 nan 8.270 nan 0.000 0.449 447 D N 0.070 120.440 120.400 -0.050 0.000 2.369 447 D HA -0.005 4.648 4.640 0.021 0.000 0.211 447 D C 1.434 177.798 176.300 0.108 0.000 1.077 447 D CA 0.147 54.146 54.000 -0.002 0.000 0.842 447 D CB 0.287 41.040 40.800 -0.078 0.000 0.947 447 D HN 0.339 nan 8.370 nan 0.000 0.509 448 R N 0.811 121.400 120.500 0.149 0.000 2.200 448 R HA -0.032 4.320 4.340 0.021 0.000 0.234 448 R C 1.030 177.313 176.300 -0.028 0.000 1.127 448 R CA 1.149 57.351 56.100 0.170 0.000 0.989 448 R CB -0.404 29.946 30.300 0.083 0.000 0.869 448 R HN -0.052 nan 8.270 nan 0.000 0.459 449 N N 0.105 118.710 118.700 -0.159 0.000 2.336 449 N HA -0.016 4.736 4.740 0.021 0.000 0.189 449 N C -0.464 174.900 175.510 -0.244 0.000 1.113 449 N CA 0.242 53.164 53.050 -0.213 0.000 0.858 449 N CB 0.076 38.406 38.487 -0.262 0.000 0.970 449 N HN 0.310 nan 8.380 nan 0.000 0.471 450 H N 1.165 120.157 119.070 -0.128 0.000 2.646 450 H HA 0.115 4.684 4.556 0.020 0.000 0.325 450 H C -1.199 173.975 175.328 -0.258 0.000 1.075 450 H CA -1.312 54.647 56.048 -0.149 0.000 1.421 450 H CB 1.614 31.320 29.762 -0.094 0.000 1.461 450 H HN 0.008 nan 8.280 nan 0.000 0.525 451 P HA -0.125 nan 4.420 nan 0.000 0.221 451 P C 1.350 178.199 177.300 -0.751 0.000 1.150 451 P CA 1.058 63.803 63.100 -0.592 0.000 0.800 451 P CB 0.235 31.320 31.700 -1.025 0.000 0.787 452 S N -1.174 114.185 115.700 -0.569 0.000 2.447 452 S HA -0.025 4.457 4.470 0.021 0.000 0.233 452 S C 1.043 175.619 174.600 -0.040 0.000 1.006 452 S CA 0.283 58.326 58.200 -0.263 0.000 0.957 452 S CB -1.370 61.808 63.200 -0.036 0.000 0.773 452 S HN -0.071 nan 8.310 nan 0.000 0.507 453 V N 3.651 123.501 119.914 -0.107 0.000 2.427 453 V HA 0.269 4.402 4.120 0.021 0.000 0.268 453 V C 1.021 176.974 176.094 -0.234 0.000 1.046 453 V CA -0.129 62.077 62.300 -0.158 0.000 0.970 453 V CB 0.518 32.163 31.823 -0.297 0.000 1.001 453 V HN 0.623 nan 8.190 nan 0.000 0.476 454 I N 2.477 122.957 120.570 -0.151 0.000 4.288 454 I HA 0.533 4.716 4.170 0.021 0.000 0.331 454 I C 0.285 176.281 176.117 -0.201 0.000 1.322 454 I CA 0.422 61.636 61.300 -0.142 0.000 1.149 454 I CB 0.546 38.538 38.000 -0.015 0.000 1.112 454 I HN 0.336 nan 8.210 nan 0.000 0.403 455 I N 0.286 120.711 120.570 -0.242 0.000 2.752 455 I HA 0.368 4.551 4.170 0.021 0.000 0.295 455 I C -1.639 174.368 176.117 -0.183 0.000 1.219 455 I CA -0.385 60.813 61.300 -0.170 0.000 1.030 455 I CB 2.253 40.242 38.000 -0.017 0.000 1.259 455 I HN 0.020 nan 8.210 nan 0.000 0.423 456 W N 3.890 125.229 121.300 0.064 0.000 2.496 456 W HA 0.670 5.340 4.660 0.017 0.000 0.327 456 W C 0.246 176.819 176.519 0.090 0.000 1.086 456 W CA -0.728 56.660 57.345 0.073 0.000 1.222 456 W CB 1.755 31.253 29.460 0.063 0.000 1.304 456 W HN 0.324 nan 8.180 nan 0.000 0.547 457 S N 2.821 118.740 115.700 0.366 0.000 2.521 457 S HA 0.407 4.890 4.470 0.021 0.000 0.295 457 S C 0.118 174.871 174.600 0.256 0.000 1.098 457 S CA -0.717 57.644 58.200 0.269 0.000 0.999 457 S CB 0.972 64.284 63.200 0.187 0.000 1.034 457 S HN 0.610 nan 8.310 nan 0.000 0.483 458 L N 3.765 125.130 121.223 0.236 0.000 2.610 458 L HA 0.336 4.689 4.340 0.021 0.000 0.232 458 L C 1.430 178.350 176.870 0.084 0.000 1.149 458 L CA 0.648 55.555 54.840 0.112 0.000 0.872 458 L CB -1.053 40.976 42.059 -0.050 0.000 0.992 458 L HN 1.032 nan 8.230 nan 0.000 0.447 459 G N -0.052 108.872 108.800 0.206 0.000 2.270 459 G HA2 -0.116 3.857 3.960 0.021 0.000 0.268 459 G HA3 -0.116 3.857 3.960 0.021 0.000 0.268 459 G C -1.680 173.394 174.900 0.290 0.000 1.312 459 G CA -0.589 44.637 45.100 0.211 0.000 1.050 459 G HN 0.157 nan 8.290 nan 0.000 0.474 460 N N 0.583 119.398 118.700 0.192 0.000 2.331 460 N HA 0.468 5.221 4.740 0.021 0.000 0.280 460 N C -0.035 175.447 175.510 -0.047 0.000 1.155 460 N CA 0.267 53.296 53.050 -0.035 0.000 0.822 460 N CB 1.436 39.599 38.487 -0.540 0.000 1.619 460 N HN 1.272 nan 8.380 nan 0.000 0.476 461 E N 0.628 120.708 120.200 -0.200 0.000 2.024 461 E HA -0.231 4.131 4.350 0.021 0.000 0.163 461 E C -1.105 175.408 176.600 -0.146 0.000 1.490 461 E CA 0.843 57.047 56.400 -0.325 0.000 0.586 461 E CB -1.901 27.367 29.700 -0.720 0.000 1.041 461 E HN 0.375 nan 8.360 nan 0.000 0.296 462 S N 0.689 116.451 115.700 0.103 0.000 3.021 462 S HA 0.462 4.945 4.470 0.021 0.000 0.252 462 S C 0.783 175.543 174.600 0.268 0.000 0.996 462 S CA -0.145 58.167 58.200 0.188 0.000 1.084 462 S CB 1.304 64.668 63.200 0.274 0.000 1.021 462 S HN 1.061 nan 8.310 nan 0.000 0.566 463 G N 2.053 110.944 108.800 0.151 0.000 2.578 463 G HA2 -0.277 3.696 3.960 0.021 0.000 0.275 463 G HA3 -0.277 3.696 3.960 0.021 0.000 0.275 463 G C -0.468 174.632 174.900 0.333 0.000 1.271 463 G CA 0.016 45.207 45.100 0.151 0.000 0.941 463 G HN 0.657 nan 8.290 nan 0.000 0.564 464 H N 0.538 119.717 119.070 0.183 0.000 2.906 464 H HA 0.563 5.131 4.556 0.020 0.000 0.324 464 H C 0.320 175.816 175.328 0.281 0.000 0.973 464 H CA -0.054 56.132 56.048 0.229 0.000 1.321 464 H CB 0.537 30.365 29.762 0.111 0.000 1.535 464 H HN 1.019 nan 8.280 nan 0.000 0.518 465 G N 1.484 110.383 108.800 0.164 0.000 2.600 465 G HA2 0.450 4.423 3.960 0.021 0.000 0.303 465 G HA3 0.450 4.423 3.960 0.021 0.000 0.303 465 G C 0.599 175.377 174.900 -0.204 0.000 1.253 465 G CA -0.148 44.862 45.100 -0.149 0.000 0.974 465 G HN 0.655 nan 8.290 nan 0.000 0.483 466 A N 0.377 123.101 122.820 -0.161 0.000 1.978 466 A HA -0.108 4.225 4.320 0.021 0.000 0.220 466 A C 2.121 179.677 177.584 -0.047 0.000 1.170 466 A CA 1.895 53.884 52.037 -0.079 0.000 0.636 466 A CB -0.456 18.516 19.000 -0.045 0.000 0.810 466 A HN 0.554 nan 8.150 nan 0.000 0.448 467 N N -0.190 118.444 118.700 -0.110 0.000 2.272 467 N HA -0.169 4.583 4.740 0.021 0.000 0.185 467 N C 1.327 176.768 175.510 -0.116 0.000 1.014 467 N CA 1.794 54.763 53.050 -0.135 0.000 0.870 467 N CB -0.666 37.709 38.487 -0.186 0.000 0.975 467 N HN 0.801 nan 8.380 nan 0.000 0.433 468 H N 0.327 119.382 119.070 -0.025 0.000 2.363 468 H HA 0.040 4.608 4.556 0.020 0.000 0.301 468 H C 1.316 176.709 175.328 0.108 0.000 1.074 468 H CA 0.978 57.026 56.048 0.001 0.000 1.354 468 H CB 0.168 29.942 29.762 0.021 0.000 1.397 468 H HN 0.148 nan 8.280 nan 0.000 0.516 469 D N 0.579 121.139 120.400 0.266 0.000 2.149 469 D HA -0.152 4.501 4.640 0.021 0.000 0.198 469 D C 2.248 178.691 176.300 0.238 0.000 0.990 469 D CA 1.235 55.371 54.000 0.226 0.000 0.839 469 D CB -0.249 40.659 40.800 0.180 0.000 0.948 469 D HN 0.440 nan 8.370 nan 0.000 0.460 470 A N 0.762 123.679 122.820 0.163 0.000 1.898 470 A HA -0.081 4.251 4.320 0.021 0.000 0.216 470 A C 2.420 180.122 177.584 0.197 0.000 1.181 470 A CA 0.741 52.870 52.037 0.152 0.000 0.620 470 A CB -0.692 18.356 19.000 0.079 0.000 0.819 470 A HN 0.181 nan 8.150 nan 0.000 0.442 471 L N -1.951 119.371 121.223 0.165 0.000 2.141 471 L HA -0.151 4.202 4.340 0.021 0.000 0.209 471 L C 2.564 179.594 176.870 0.267 0.000 1.094 471 L CA 1.542 56.483 54.840 0.169 0.000 0.763 471 L CB -0.599 41.494 42.059 0.057 0.000 0.908 471 L HN 0.650 nan 8.230 nan 0.000 0.437 472 Y N 0.399 120.782 120.300 0.138 0.000 2.200 472 Y HA -0.194 4.364 4.550 0.013 0.000 0.290 472 Y C 2.823 178.798 175.900 0.125 0.000 1.137 472 Y CA 1.240 59.420 58.100 0.134 0.000 1.163 472 Y CB -0.079 38.461 38.460 0.132 0.000 0.988 472 Y HN -0.087 nan 8.280 nan 0.000 0.518 473 R N 0.037 120.710 120.500 0.289 0.000 2.096 473 R HA -0.223 4.130 4.340 0.021 0.000 0.235 473 R C 1.984 178.294 176.300 0.017 0.000 1.127 473 R CA 1.745 57.908 56.100 0.105 0.000 0.968 473 R CB -1.446 28.969 30.300 0.193 0.000 0.861 473 R HN 0.663 nan 8.270 nan 0.000 0.440 474 W N 1.147 122.414 121.300 -0.055 0.000 2.335 474 W HA -0.170 4.504 4.660 0.023 0.000 0.311 474 W C 1.878 178.308 176.519 -0.148 0.000 1.213 474 W CA 1.669 58.962 57.345 -0.086 0.000 1.274 474 W CB -0.398 29.014 29.460 -0.080 0.000 1.148 474 W HN -0.022 nan 8.180 nan 0.000 0.498 475 I N 0.838 121.365 120.570 -0.071 0.000 2.179 475 I HA -0.362 3.821 4.170 0.021 0.000 0.242 475 I C 2.435 178.322 176.117 -0.383 0.000 1.088 475 I CA 1.466 62.580 61.300 -0.309 0.000 1.357 475 I CB -0.858 37.035 38.000 -0.179 0.000 1.051 475 I HN -0.084 nan 8.210 nan 0.000 0.409 476 K N 0.710 120.906 120.400 -0.339 0.000 2.113 476 K HA -0.138 4.195 4.320 0.021 0.000 0.208 476 K C 2.242 178.691 176.600 -0.253 0.000 1.047 476 K CA 1.368 57.483 56.287 -0.287 0.000 0.928 476 K CB -0.553 31.753 32.500 -0.322 0.000 0.716 476 K HN 0.252 nan 8.250 nan 0.000 0.446 477 S N 0.662 116.176 115.700 -0.311 0.000 2.357 477 S HA -0.056 4.427 4.470 0.021 0.000 0.221 477 S C 2.185 176.558 174.600 -0.377 0.000 1.031 477 S CA 0.839 58.859 58.200 -0.299 0.000 0.982 477 S CB -0.055 62.960 63.200 -0.309 0.000 0.853 477 S HN 0.018 nan 8.310 nan 0.000 0.458 478 V N 1.137 120.682 119.914 -0.615 0.000 2.453 478 V HA -0.016 4.116 4.120 0.021 0.000 0.247 478 V C 0.526 176.387 176.094 -0.389 0.000 1.048 478 V CA 1.346 63.269 62.300 -0.628 0.000 1.049 478 V CB -0.191 30.928 31.823 -1.174 0.000 0.672 478 V HN 0.417 nan 8.190 nan 0.000 0.457 479 D N -1.056 119.154 120.400 -0.316 0.000 2.364 479 D HA 0.239 4.892 4.640 0.021 0.000 0.251 479 D C -2.223 174.054 176.300 -0.039 0.000 1.282 479 D CA -1.645 52.279 54.000 -0.127 0.000 0.927 479 D CB 1.592 42.392 40.800 -0.000 0.000 1.267 479 D HN 0.093 nan 8.370 nan 0.000 0.531 480 P HA -0.032 nan 4.420 nan 0.000 0.242 480 P C 1.223 178.535 177.300 0.019 0.000 1.197 480 P CA 0.367 63.451 63.100 -0.027 0.000 0.765 480 P CB 0.175 31.851 31.700 -0.039 0.000 0.936 481 S N -1.143 114.579 115.700 0.037 0.000 2.474 481 S HA -0.011 4.471 4.470 0.021 0.000 0.235 481 S C 0.931 175.554 174.600 0.039 0.000 0.997 481 S CA 0.189 58.414 58.200 0.042 0.000 0.949 481 S CB -0.342 62.875 63.200 0.029 0.000 0.766 481 S HN 0.069 nan 8.310 nan 0.000 0.517 482 R N 0.546 121.085 120.500 0.064 0.000 2.808 482 R HA 0.620 4.972 4.340 0.021 0.000 0.272 482 R C -3.131 173.220 176.300 0.085 0.000 0.995 482 R CA -2.229 53.883 56.100 0.020 0.000 0.917 482 R CB 1.702 31.929 30.300 -0.122 0.000 1.217 482 R HN 0.153 nan 8.270 nan 0.000 0.471 483 P HA 0.301 nan 4.420 nan 0.000 0.282 483 P C -0.997 176.400 177.300 0.162 0.000 1.259 483 P CA -0.603 62.554 63.100 0.094 0.000 0.826 483 P CB 1.082 32.823 31.700 0.069 0.000 1.064 484 V N 1.808 121.834 119.914 0.188 0.000 2.581 484 V HA 0.497 4.630 4.120 0.021 0.000 0.303 484 V C 0.111 176.368 176.094 0.271 0.000 1.041 484 V CA -0.372 62.086 62.300 0.264 0.000 0.907 484 V CB 1.394 33.354 31.823 0.228 0.000 0.994 484 V HN 0.647 nan 8.190 nan 0.000 0.442 485 Q N 3.171 123.121 119.800 0.250 0.000 2.421 485 Q HA 0.780 5.132 4.340 0.021 0.000 0.280 485 Q C -1.846 174.300 176.000 0.243 0.000 1.085 485 Q CA -0.906 55.011 55.803 0.191 0.000 0.807 485 Q CB 2.777 31.574 28.738 0.098 0.000 1.405 485 Q HN 0.656 nan 8.270 nan 0.000 0.419 486 Y N 0.548 120.853 120.300 0.008 0.000 2.390 486 Y HA 0.199 4.761 4.550 0.019 0.000 0.324 486 Y C -0.442 175.391 175.900 -0.112 0.000 1.151 486 Y CA -0.770 57.299 58.100 -0.052 0.000 1.053 486 Y CB 2.240 40.654 38.460 -0.076 0.000 1.277 486 Y HN 0.972 nan 8.280 nan 0.000 0.432 487 E N 3.471 123.229 120.200 -0.737 0.000 2.276 487 E HA 0.130 4.493 4.350 0.021 0.000 0.193 487 E C 0.687 176.814 176.600 -0.788 0.000 0.983 487 E CA 0.682 56.713 56.400 -0.615 0.000 0.861 487 E CB 0.217 29.670 29.700 -0.411 0.000 0.817 487 E HN 0.908 nan 8.360 nan 0.000 0.485 488 G N 0.134 108.018 108.800 -1.527 0.000 2.460 488 G HA2 0.158 4.131 3.960 0.021 0.000 0.230 488 G HA3 0.158 4.131 3.960 0.021 0.000 0.230 488 G C 0.825 175.514 174.900 -0.351 0.000 1.248 488 G CA 0.407 44.990 45.100 -0.861 0.000 0.863 488 G HN 0.407 nan 8.290 nan 0.000 0.549 489 G N -0.284 108.438 108.800 -0.130 0.000 2.176 489 G HA2 0.233 4.205 3.960 0.021 0.000 0.252 489 G HA3 0.233 4.205 3.960 0.021 0.000 0.252 489 G C 1.304 176.194 174.900 -0.016 0.000 1.024 489 G CA 0.950 46.051 45.100 0.002 0.000 0.755 489 G HN 2.653 nan 8.290 nan 0.000 0.507 490 G N -1.644 107.138 108.800 -0.030 0.000 2.229 490 G HA2 0.429 4.402 3.960 0.021 0.000 0.189 490 G HA3 0.429 4.402 3.960 0.021 0.000 0.189 490 G C 1.024 176.021 174.900 0.163 0.000 1.000 490 G CA 1.415 46.556 45.100 0.069 0.000 0.663 490 G HN 2.349 nan 8.290 nan 0.000 0.493 491 A N -0.214 122.594 122.820 -0.020 0.000 3.661 491 A HA -0.149 4.183 4.320 0.021 0.000 0.269 491 A C 1.097 178.624 177.584 -0.095 0.000 1.056 491 A CA 2.613 54.589 52.037 -0.100 0.000 1.159 491 A CB -1.842 17.070 19.000 -0.148 0.000 1.105 491 A HN 2.049 nan 8.150 nan 0.000 0.907 492 D N -0.426 119.998 120.400 0.041 0.000 2.650 492 D HA 0.332 4.984 4.640 0.021 0.000 0.265 492 D C 0.573 176.861 176.300 -0.020 0.000 1.339 492 D CA 0.850 54.872 54.000 0.037 0.000 0.816 492 D CB -1.130 39.820 40.800 0.249 0.000 1.091 492 D HN 0.828 nan 8.370 nan 0.000 0.483 493 T N -2.220 112.253 114.554 -0.135 0.000 2.681 493 T HA 0.103 4.465 4.350 0.021 0.000 0.333 493 T C 1.573 176.138 174.700 -0.225 0.000 1.049 493 T CA 0.593 62.546 62.100 -0.246 0.000 1.002 493 T CB 0.439 68.919 68.868 -0.646 0.000 1.161 493 T HN 0.112 nan 8.240 nan 0.000 0.519 494 T N -2.676 111.728 114.554 -0.249 0.000 3.160 494 T HA 0.312 4.675 4.350 0.021 0.000 0.257 494 T C 1.483 175.909 174.700 -0.457 0.000 1.147 494 T CA 0.170 62.136 62.100 -0.222 0.000 1.064 494 T CB -0.396 68.415 68.868 -0.094 0.000 0.949 494 T HN 0.824 nan 8.240 nan 0.000 0.526 495 A N 0.532 123.079 122.820 -0.455 0.000 2.460 495 A HA 0.520 4.853 4.320 0.021 0.000 0.258 495 A C 0.819 178.197 177.584 -0.344 0.000 1.300 495 A CA -0.284 51.412 52.037 -0.568 0.000 0.913 495 A CB 0.100 19.023 19.000 -0.129 0.000 1.031 495 A HN 0.429 nan 8.150 nan 0.000 0.512 496 T N -1.634 112.776 114.554 -0.240 0.000 2.912 496 T HA 0.391 4.754 4.350 0.021 0.000 0.299 496 T C -0.648 174.089 174.700 0.061 0.000 1.052 496 T CA -0.427 61.685 62.100 0.020 0.000 0.996 496 T CB 1.357 70.218 68.868 -0.012 0.000 1.070 496 T HN 0.051 nan 8.240 nan 0.000 0.465 497 D N 2.533 123.037 120.400 0.173 0.000 2.348 497 D HA 0.299 4.952 4.640 0.021 0.000 0.211 497 D C 0.305 176.636 176.300 0.051 0.000 0.998 497 D CA 0.702 54.785 54.000 0.138 0.000 0.873 497 D CB 0.381 41.282 40.800 0.167 0.000 0.925 497 D HN 0.529 nan 8.370 nan 0.000 0.524 498 I N 0.795 121.374 120.570 0.016 0.000 2.647 498 I HA 0.253 4.435 4.170 0.021 0.000 0.295 498 I C -0.306 175.744 176.117 -0.111 0.000 1.078 498 I CA -0.906 60.368 61.300 -0.044 0.000 1.048 498 I CB 2.969 40.952 38.000 -0.029 0.000 1.239 498 I HN -0.353 nan 8.210 nan 0.000 0.421 499 I N 5.258 125.717 120.570 -0.186 0.000 2.436 499 I HA 0.093 4.275 4.170 0.021 0.000 0.289 499 I C 0.109 176.020 176.117 -0.344 0.000 1.083 499 I CA -0.105 60.995 61.300 -0.333 0.000 1.372 499 I CB 0.212 37.913 38.000 -0.498 0.000 1.408 499 I HN 0.665 nan 8.210 nan 0.000 0.516 500 C N 5.479 124.592 119.300 -0.312 0.000 3.401 500 C HA 0.469 4.942 4.460 0.021 0.000 0.204 500 C C -2.146 172.701 174.990 -0.239 0.000 1.522 500 C CA -2.228 56.651 59.018 -0.232 0.000 1.409 500 C CB -0.840 26.821 27.740 -0.133 0.000 1.967 500 C HN 0.424 nan 8.230 nan 0.000 0.496 501 P HA 0.346 nan 4.420 nan 0.000 0.274 501 P C -0.456 176.771 177.300 -0.122 0.000 1.256 501 P CA 0.201 63.188 63.100 -0.189 0.000 0.795 501 P CB 0.770 32.366 31.700 -0.174 0.000 1.038 502 M N -0.231 119.315 119.600 -0.089 0.000 2.243 502 M HA 0.457 4.950 4.480 0.021 0.000 0.324 502 M C -0.850 175.380 176.300 -0.116 0.000 1.031 502 M CA -0.672 54.468 55.300 -0.267 0.000 0.949 502 M CB 1.339 33.733 32.600 -0.342 0.000 1.615 502 M HN 0.342 nan 8.290 nan 0.000 0.430 503 Y N -0.352 120.092 120.300 0.241 0.000 4.490 503 Y HA -0.201 4.362 4.550 0.022 0.000 0.233 503 Y C 0.434 176.484 175.900 0.250 0.000 1.101 503 Y CA 0.397 58.638 58.100 0.234 0.000 2.010 503 Y CB -2.319 36.234 38.460 0.156 0.000 1.622 503 Y HN 0.980 nan 8.280 nan 0.000 0.675 504 A N 0.986 124.003 122.820 0.329 0.000 2.440 504 A HA 0.586 4.919 4.320 0.021 0.000 0.251 504 A C 0.702 178.494 177.584 0.346 0.000 1.089 504 A CA -0.386 51.852 52.037 0.335 0.000 0.779 504 A CB 0.366 19.594 19.000 0.380 0.000 1.022 504 A HN 0.424 nan 8.150 nan 0.000 0.492 505 R N 1.345 121.985 120.500 0.232 0.000 2.583 505 R HA 0.350 4.702 4.340 0.021 0.000 0.268 505 R C 1.213 177.516 176.300 0.005 0.000 1.101 505 R CA -0.512 55.670 56.100 0.137 0.000 1.180 505 R CB 0.630 30.970 30.300 0.066 0.000 1.128 505 R HN 0.497 nan 8.270 nan 0.000 0.568 506 V N 0.542 120.316 119.914 -0.234 0.000 2.244 506 V HA -0.207 3.925 4.120 0.021 0.000 0.244 506 V C 1.018 177.016 176.094 -0.162 0.000 1.042 506 V CA 1.908 64.022 62.300 -0.310 0.000 1.006 506 V CB -0.241 31.264 31.823 -0.531 0.000 0.641 506 V HN 0.746 nan 8.190 nan 0.000 0.446 507 D N -0.969 119.354 120.400 -0.129 0.000 2.422 507 D HA 0.081 4.733 4.640 0.021 0.000 0.218 507 D C 0.784 177.065 176.300 -0.032 0.000 1.047 507 D CA 0.134 54.087 54.000 -0.077 0.000 0.885 507 D CB 0.499 41.252 40.800 -0.079 0.000 1.035 507 D HN 0.679 nan 8.370 nan 0.000 0.502 508 E N 1.398 121.585 120.200 -0.022 0.000 2.231 508 E HA 0.306 4.669 4.350 0.021 0.000 0.277 508 E C -0.749 175.853 176.600 0.003 0.000 0.999 508 E CA -0.722 55.673 56.400 -0.008 0.000 0.827 508 E CB 1.448 31.139 29.700 -0.014 0.000 1.101 508 E HN -0.225 nan 8.360 nan 0.000 0.393 509 D N 2.510 122.908 120.400 -0.003 0.000 2.253 509 D HA 0.140 4.793 4.640 0.021 0.000 0.249 509 D C -0.503 175.686 176.300 -0.185 0.000 1.049 509 D CA -0.309 53.674 54.000 -0.028 0.000 0.929 509 D CB 1.330 42.194 40.800 0.106 0.000 1.176 509 D HN 0.430 nan 8.370 nan 0.000 0.437 510 Q N 1.187 120.753 119.800 -0.390 0.000 2.616 510 Q HA 0.281 4.634 4.340 0.021 0.000 0.250 510 Q C -2.384 172.920 176.000 -1.159 0.000 0.991 510 Q CA -1.569 53.796 55.803 -0.729 0.000 0.707 510 Q CB 2.628 30.950 28.738 -0.693 0.000 1.247 510 Q HN 0.146 nan 8.270 nan 0.000 0.491 511 P HA 0.129 nan 4.420 nan 0.000 0.214 511 P C -0.769 176.214 177.300 -0.529 0.000 1.849 511 P CA -0.285 62.373 63.100 -0.736 0.000 1.022 511 P CB -0.385 31.084 31.700 -0.386 0.000 1.912 512 F N 2.716 122.523 119.950 -0.238 0.000 2.506 512 F HA 0.211 4.750 4.527 0.020 0.000 0.351 512 F C -1.150 174.554 175.800 -0.160 0.000 1.136 512 F CA -2.455 55.450 58.000 -0.159 0.000 1.298 512 F CB -0.415 38.502 39.000 -0.138 0.000 1.145 512 F HN 0.087 nan 8.300 nan 0.000 0.593 513 P HA 0.062 nan 4.420 nan 0.000 0.268 513 P C 0.330 177.650 177.300 0.033 0.000 1.204 513 P CA 1.004 64.126 63.100 0.036 0.000 0.768 513 P CB 1.158 32.876 31.700 0.031 0.000 0.842 514 A N 3.113 125.939 122.820 0.011 0.000 2.617 514 A HA -0.247 4.086 4.320 0.021 0.000 0.236 514 A C 0.681 178.268 177.584 0.005 0.000 0.551 514 A CA 1.925 53.969 52.037 0.013 0.000 1.144 514 A CB -2.632 16.376 19.000 0.014 0.000 1.384 514 A HN 0.683 nan 8.150 nan 0.000 0.694 515 V N -3.129 116.791 119.914 0.010 0.000 2.464 515 V HA 0.580 4.713 4.120 0.021 0.000 0.255 515 V C -2.428 173.672 176.094 0.009 0.000 0.946 515 V CA -1.206 61.097 62.300 0.005 0.000 0.988 515 V CB 0.747 32.580 31.823 0.016 0.000 1.210 515 V HN 0.482 nan 8.190 nan 0.000 0.523 516 P HA 0.334 nan 4.420 nan 0.000 0.274 516 P C -0.676 176.165 177.300 -0.766 0.000 1.246 516 P CA -0.035 62.687 63.100 -0.630 0.000 0.795 516 P CB 1.042 31.946 31.700 -1.326 0.000 1.006 517 K N 1.457 121.390 120.400 -0.778 0.000 2.530 517 K HA 0.205 4.537 4.320 0.021 0.000 0.230 517 K C -0.431 175.818 176.600 -0.584 0.000 1.002 517 K CA -0.259 55.746 56.287 -0.470 0.000 1.014 517 K CB 0.463 32.975 32.500 0.020 0.000 1.286 517 K HN 0.490 nan 8.250 nan 0.000 0.480 518 W N 1.374 122.333 121.300 -0.568 0.000 2.079 518 W HA 0.008 4.680 4.660 0.020 0.000 0.354 518 W C 1.403 177.923 176.519 0.001 0.000 1.302 518 W CA -0.575 56.556 57.345 -0.356 0.000 1.281 518 W CB 0.358 29.469 29.460 -0.583 0.000 1.165 518 W HN 0.379 nan 8.180 nan 0.000 0.603 519 S N 2.592 118.467 115.700 0.292 0.000 2.549 519 S HA -0.017 4.466 4.470 0.021 0.000 0.286 519 S C 1.102 175.860 174.600 0.263 0.000 1.314 519 S CA -0.315 57.997 58.200 0.185 0.000 1.062 519 S CB 0.258 63.501 63.200 0.072 0.000 0.865 519 S HN 0.527 nan 8.310 nan 0.000 0.498 520 I N 1.805 122.496 120.570 0.202 0.000 2.208 520 I HA -0.202 3.981 4.170 0.021 0.000 0.245 520 I C 1.990 178.131 176.117 0.041 0.000 1.097 520 I CA 1.286 62.692 61.300 0.177 0.000 1.363 520 I CB -0.601 37.447 38.000 0.080 0.000 1.051 520 I HN 0.621 nan 8.210 nan 0.000 0.413 521 K N 1.734 122.055 120.400 -0.131 0.000 2.097 521 K HA -0.179 4.153 4.320 0.021 0.000 0.206 521 K C 2.194 178.770 176.600 -0.040 0.000 1.049 521 K CA 1.611 57.725 56.287 -0.288 0.000 0.933 521 K CB -0.395 31.862 32.500 -0.406 0.000 0.717 521 K HN 0.475 nan 8.250 nan 0.000 0.442 522 K N 0.458 120.870 120.400 0.020 0.000 2.155 522 K HA -0.143 4.190 4.320 0.021 0.000 0.203 522 K C 1.905 178.525 176.600 0.034 0.000 1.052 522 K CA 0.545 56.835 56.287 0.005 0.000 0.948 522 K CB -0.060 32.415 32.500 -0.043 0.000 0.728 522 K HN 0.188 nan 8.250 nan 0.000 0.448 523 W N 2.149 123.422 121.300 -0.044 0.000 2.321 523 W HA -0.211 4.460 4.660 0.018 0.000 0.306 523 W C 1.530 178.018 176.519 -0.051 0.000 1.217 523 W CA 1.241 58.572 57.345 -0.024 0.000 1.257 523 W CB -0.572 28.977 29.460 0.149 0.000 1.145 523 W HN 0.087 nan 8.180 nan 0.000 0.509 524 L N 0.767 122.139 121.223 0.248 0.000 2.191 524 L HA -0.219 4.134 4.340 0.021 0.000 0.212 524 L C 2.068 178.995 176.870 0.094 0.000 1.103 524 L CA 1.792 56.715 54.840 0.139 0.000 0.769 524 L CB -0.824 41.300 42.059 0.108 0.000 0.908 524 L HN -0.078 nan 8.230 nan 0.000 0.438 525 S N -1.542 114.193 115.700 0.058 0.000 2.568 525 S HA 0.247 4.730 4.470 0.021 0.000 0.232 525 S C 0.347 174.925 174.600 -0.037 0.000 0.975 525 S CA -0.581 57.628 58.200 0.016 0.000 0.949 525 S CB -0.040 63.170 63.200 0.017 0.000 0.829 525 S HN -0.025 nan 8.310 nan 0.000 0.479 526 L N 3.293 124.481 121.223 -0.058 0.000 2.483 526 L HA 0.322 4.675 4.340 0.021 0.000 0.276 526 L C -2.350 174.484 176.870 -0.059 0.000 1.213 526 L CA -1.659 53.102 54.840 -0.132 0.000 0.843 526 L CB -0.503 41.462 42.059 -0.156 0.000 1.107 526 L HN 0.037 nan 8.230 nan 0.000 0.487 527 P HA 0.222 nan 4.420 nan 0.000 0.267 527 P C 0.667 177.960 177.300 -0.013 0.000 1.209 527 P CA 0.740 63.816 63.100 -0.039 0.000 0.763 527 P CB 0.691 32.363 31.700 -0.046 0.000 0.816 528 G N 1.924 110.723 108.800 -0.001 0.000 2.241 528 G HA2 -0.225 3.747 3.960 0.021 0.000 0.244 528 G HA3 -0.225 3.747 3.960 0.021 0.000 0.244 528 G C 0.318 175.233 174.900 0.025 0.000 0.998 528 G CA -0.250 44.857 45.100 0.012 0.000 0.621 528 G HN 0.554 nan 8.290 nan 0.000 0.519 529 E N 1.244 121.465 120.200 0.035 0.000 2.360 529 E HA 0.554 4.916 4.350 0.021 0.000 0.269 529 E C 1.390 178.013 176.600 0.038 0.000 1.022 529 E CA 0.730 57.162 56.400 0.054 0.000 0.887 529 E CB 0.955 30.711 29.700 0.094 0.000 0.990 529 E HN 0.687 nan 8.360 nan 0.000 0.426 530 T N 0.181 114.754 114.554 0.032 0.000 3.252 530 T HA 0.296 4.659 4.350 0.021 0.000 0.295 530 T C 0.562 175.270 174.700 0.012 0.000 0.897 530 T CA -0.442 61.672 62.100 0.022 0.000 0.905 530 T CB 0.161 69.041 68.868 0.020 0.000 1.202 530 T HN 0.212 nan 8.240 nan 0.000 0.592 531 R N 2.488 122.992 120.500 0.005 0.000 2.615 531 R HA 0.478 4.830 4.340 0.021 0.000 0.270 531 R C -2.495 173.783 176.300 -0.036 0.000 1.081 531 R CA -1.876 54.216 56.100 -0.013 0.000 1.154 531 R CB 0.154 30.440 30.300 -0.024 0.000 1.063 531 R HN 0.242 nan 8.270 nan 0.000 0.519 532 P HA 0.025 nan 4.420 nan 0.000 0.272 532 P C -1.205 176.023 177.300 -0.120 0.000 1.230 532 P CA -0.233 62.825 63.100 -0.071 0.000 0.788 532 P CB 0.591 32.251 31.700 -0.067 0.000 0.949 533 L N 2.784 123.915 121.223 -0.153 0.000 2.349 533 L HA 0.596 4.949 4.340 0.021 0.000 0.278 533 L C -1.243 175.475 176.870 -0.254 0.000 0.996 533 L CA -0.572 54.136 54.840 -0.220 0.000 0.825 533 L CB 0.608 42.508 42.059 -0.264 0.000 1.243 533 L HN 0.235 nan 8.230 nan 0.000 0.412 534 I N 5.762 126.190 120.570 -0.237 0.000 2.468 534 I HA 0.308 4.490 4.170 0.021 0.000 0.285 534 I C -0.736 175.280 176.117 -0.168 0.000 1.039 534 I CA -0.689 60.463 61.300 -0.247 0.000 1.074 534 I CB 1.983 39.904 38.000 -0.133 0.000 1.228 534 I HN 0.530 nan 8.210 nan 0.000 0.436 535 L N 5.585 126.677 121.223 -0.219 0.000 2.477 535 L HA 0.048 4.400 4.340 0.021 0.000 0.272 535 L C 1.491 178.437 176.870 0.128 0.000 1.157 535 L CA -0.213 54.564 54.840 -0.105 0.000 0.889 535 L CB 0.701 42.653 42.059 -0.178 0.000 1.158 535 L HN 0.875 nan 8.230 nan 0.000 0.473 536 C N 0.500 119.851 119.300 0.085 0.000 2.446 536 C HA 0.111 4.584 4.460 0.021 0.000 0.279 536 C C 0.606 175.738 174.990 0.237 0.000 1.366 536 C CA -0.139 58.964 59.018 0.142 0.000 1.763 536 C CB -1.069 26.663 27.740 -0.014 0.000 1.929 536 C HN 0.830 nan 8.230 nan 0.000 0.509 537 E N -0.776 119.495 120.200 0.118 0.000 2.321 537 E HA 0.596 4.959 4.350 0.021 0.000 0.281 537 E C -1.348 175.212 176.600 -0.066 0.000 0.910 537 E CA -0.397 56.072 56.400 0.114 0.000 0.770 537 E CB 1.732 31.363 29.700 -0.115 0.000 1.225 537 E HN 0.685 nan 8.360 nan 0.000 0.417 538 Y N -0.990 119.295 120.300 -0.026 0.000 2.638 538 Y HA 0.665 5.229 4.550 0.022 0.000 0.335 538 Y C -0.643 175.410 175.900 0.255 0.000 1.155 538 Y CA -0.974 57.105 58.100 -0.034 0.000 1.046 538 Y CB 1.115 39.423 38.460 -0.252 0.000 1.303 538 Y HN 0.698 nan 8.280 nan 0.000 0.460 539 A N 2.058 124.939 122.820 0.103 0.000 2.183 539 A HA -0.263 4.070 4.320 0.021 0.000 0.278 539 A C -0.434 177.294 177.584 0.239 0.000 1.404 539 A CA 0.993 53.093 52.037 0.104 0.000 0.737 539 A CB -2.431 16.521 19.000 -0.080 0.000 1.172 539 A HN 1.088 nan 8.150 nan 0.000 0.338 540 H N 0.996 120.229 119.070 0.272 0.000 3.191 540 H HA 0.249 4.817 4.556 0.021 0.000 0.261 540 H C 1.178 176.588 175.328 0.136 0.000 1.013 540 H CA 0.801 57.015 56.048 0.277 0.000 1.457 540 H CB 0.415 30.216 29.762 0.066 0.000 1.535 540 H HN 0.829 nan 8.280 nan 0.000 0.518 541 A N 6.481 129.230 122.820 -0.119 0.000 2.648 541 A HA 0.039 4.372 4.320 0.021 0.000 0.269 541 A C 0.984 178.427 177.584 -0.235 0.000 1.392 541 A CA -0.384 51.552 52.037 -0.168 0.000 1.019 541 A CB -0.599 18.290 19.000 -0.185 0.000 1.009 541 A HN 0.802 nan 8.150 nan 0.000 0.565 542 M N 1.427 120.865 119.600 -0.271 0.000 2.266 542 M HA 0.408 4.900 4.480 0.021 0.000 0.340 542 M C 1.044 177.207 176.300 -0.229 0.000 1.486 542 M CA 1.266 56.431 55.300 -0.226 0.000 1.209 542 M CB -0.482 32.043 32.600 -0.125 0.000 1.714 542 M HN 0.783 nan 8.290 nan 0.000 0.459 543 G N 4.465 113.116 108.800 -0.249 0.000 2.556 543 G HA2 -0.348 3.625 3.960 0.021 0.000 0.283 543 G HA3 -0.348 3.625 3.960 0.021 0.000 0.283 543 G C -0.142 174.303 174.900 -0.759 0.000 1.177 543 G CA 0.145 44.947 45.100 -0.496 0.000 0.978 543 G HN 0.814 nan 8.290 nan 0.000 0.554 544 N N 1.598 119.720 118.700 -0.963 0.000 2.466 544 N HA 0.522 5.275 4.740 0.021 0.000 0.263 544 N C -0.092 175.182 175.510 -0.393 0.000 1.178 544 N CA 1.060 53.661 53.050 -0.747 0.000 0.983 544 N CB 0.404 38.478 38.487 -0.688 0.000 1.331 544 N HN 0.704 nan 8.380 nan 0.000 0.500 545 S N 1.684 117.232 115.700 -0.254 0.000 2.903 545 S HA 0.627 5.110 4.470 0.021 0.000 0.314 545 S C -0.141 174.404 174.600 -0.092 0.000 1.177 545 S CA -0.409 57.700 58.200 -0.153 0.000 0.859 545 S CB 0.383 63.516 63.200 -0.112 0.000 1.265 545 S HN 0.409 nan 8.310 nan 0.000 0.584 546 L N 0.164 121.368 121.223 -0.032 0.000 4.609 546 L HA -0.057 4.296 4.340 0.021 0.000 0.396 546 L C 0.445 177.372 176.870 0.094 0.000 1.028 546 L CA 0.794 55.644 54.840 0.017 0.000 1.232 546 L CB -1.719 40.270 42.059 -0.117 0.000 2.071 546 L HN 0.700 nan 8.230 nan 0.000 0.613 547 G N -0.894 107.936 108.800 0.050 0.000 2.398 547 G HA2 0.481 4.453 3.960 0.021 0.000 0.246 547 G HA3 0.481 4.453 3.960 0.021 0.000 0.246 547 G C 1.238 176.216 174.900 0.131 0.000 1.289 547 G CA 0.177 45.291 45.100 0.024 0.000 0.869 547 G HN 1.355 nan 8.290 nan 0.000 0.543 548 G N 1.669 110.548 108.800 0.131 0.000 2.175 548 G HA2 -0.327 3.646 3.960 0.021 0.000 0.244 548 G HA3 -0.327 3.646 3.960 0.021 0.000 0.244 548 G C 1.115 176.210 174.900 0.326 0.000 0.982 548 G CA 0.804 46.034 45.100 0.216 0.000 0.641 548 G HN 0.835 nan 8.290 nan 0.000 0.527 549 F N 2.043 122.132 119.950 0.232 0.000 2.115 549 F HA -0.004 4.535 4.527 0.022 0.000 0.300 549 F C 2.717 178.744 175.800 0.380 0.000 1.092 549 F CA 2.793 60.998 58.000 0.342 0.000 1.245 549 F CB -0.479 38.657 39.000 0.227 0.000 0.995 549 F HN 0.395 nan 8.300 nan 0.000 0.481 550 A N -0.204 122.808 122.820 0.321 0.000 1.972 550 A HA -0.212 4.120 4.320 0.021 0.000 0.219 550 A C 2.288 179.891 177.584 0.031 0.000 1.169 550 A CA 1.680 53.826 52.037 0.182 0.000 0.635 550 A CB -0.664 18.438 19.000 0.169 0.000 0.810 550 A HN 0.432 nan 8.150 nan 0.000 0.446 551 K N -1.404 118.993 120.400 -0.004 0.000 2.074 551 K HA -0.212 4.120 4.320 0.021 0.000 0.209 551 K C 1.831 178.192 176.600 -0.398 0.000 1.048 551 K CA 2.010 58.198 56.287 -0.164 0.000 0.926 551 K CB -0.419 31.962 32.500 -0.198 0.000 0.713 551 K HN 0.674 nan 8.250 nan 0.000 0.444 552 Y N -0.539 119.476 120.300 -0.475 0.000 2.097 552 Y HA -0.271 4.291 4.550 0.020 0.000 0.282 552 Y C 2.207 177.092 175.900 -1.693 0.000 1.152 552 Y CA 1.391 58.845 58.100 -1.076 0.000 1.136 552 Y CB -0.435 37.406 38.460 -1.032 0.000 0.975 552 Y HN 0.175 nan 8.280 nan 0.000 0.498 553 W N 0.418 121.277 121.300 -0.735 0.000 2.364 553 W HA -0.233 4.441 4.660 0.022 0.000 0.281 553 W C 2.604 178.917 176.519 -0.344 0.000 1.219 553 W CA 1.918 58.933 57.345 -0.550 0.000 1.220 553 W CB -0.529 28.723 29.460 -0.347 0.000 1.127 553 W HN 0.214 nan 8.180 nan 0.000 0.556 554 Q N -0.014 119.637 119.800 -0.247 0.000 2.269 554 Q HA -0.049 4.304 4.340 0.021 0.000 0.201 554 Q C 2.168 178.100 176.000 -0.114 0.000 0.946 554 Q CA 1.394 57.130 55.803 -0.112 0.000 0.877 554 Q CB -0.249 28.459 28.738 -0.050 0.000 0.963 554 Q HN 0.165 nan 8.270 nan 0.000 0.472 555 A N 0.691 123.349 122.820 -0.269 0.000 1.872 555 A HA -0.062 4.270 4.320 0.021 0.000 0.214 555 A C 1.834 179.442 177.584 0.040 0.000 1.187 555 A CA 0.876 52.829 52.037 -0.141 0.000 0.614 555 A CB -1.033 17.766 19.000 -0.335 0.000 0.826 555 A HN 0.532 nan 8.150 nan 0.000 0.442 556 F N 0.024 119.805 119.950 -0.282 0.000 2.087 556 F HA -0.288 4.252 4.527 0.022 0.000 0.299 556 F C 2.734 178.447 175.800 -0.144 0.000 1.100 556 F CA 1.334 59.138 58.000 -0.326 0.000 1.226 556 F CB -0.244 38.344 39.000 -0.686 0.000 0.983 556 F HN 0.189 nan 8.300 nan 0.000 0.479 557 R N -0.073 120.495 120.500 0.113 0.000 2.148 557 R HA -0.151 4.201 4.340 0.021 0.000 0.223 557 R C 2.042 178.387 176.300 0.075 0.000 1.088 557 R CA 1.026 57.178 56.100 0.088 0.000 0.985 557 R CB -0.390 29.957 30.300 0.078 0.000 0.880 557 R HN 0.426 nan 8.270 nan 0.000 0.451 558 Q N -0.314 119.561 119.800 0.124 0.000 2.250 558 Q HA 0.001 4.354 4.340 0.021 0.000 0.200 558 Q C -0.457 175.556 176.000 0.023 0.000 0.941 558 Q CA 0.642 56.498 55.803 0.087 0.000 0.872 558 Q CB 0.518 29.355 28.738 0.166 0.000 0.965 558 Q HN 0.194 nan 8.270 nan 0.000 0.480 559 Y N 0.331 120.620 120.300 -0.019 0.000 2.353 559 Y HA 0.250 4.811 4.550 0.019 0.000 0.340 559 Y C -1.735 174.143 175.900 -0.037 0.000 0.972 559 Y CA -2.834 55.252 58.100 -0.023 0.000 1.157 559 Y CB 1.263 39.714 38.460 -0.015 0.000 1.157 559 Y HN 0.122 nan 8.280 nan 0.000 0.495 560 P HA -0.207 nan 4.420 nan 0.000 0.216 560 P C 1.193 178.494 177.300 0.001 0.000 1.157 560 P CA 1.795 64.899 63.100 0.007 0.000 0.880 560 P CB 0.329 32.019 31.700 -0.017 0.000 0.791 561 R N -0.994 119.524 120.500 0.030 0.000 2.316 561 R HA 0.051 4.404 4.340 0.021 0.000 0.202 561 R C 0.585 176.856 176.300 -0.048 0.000 1.029 561 R CA 0.341 56.439 56.100 -0.003 0.000 1.018 561 R CB -0.554 29.757 30.300 0.017 0.000 0.888 561 R HN 0.295 nan 8.270 nan 0.000 0.471 562 L N 2.277 123.481 121.223 -0.032 0.000 2.315 562 L HA 0.152 4.505 4.340 0.021 0.000 0.278 562 L C 0.459 177.148 176.870 -0.303 0.000 1.088 562 L CA 0.013 54.767 54.840 -0.144 0.000 0.899 562 L CB 1.004 43.060 42.059 -0.006 0.000 1.277 562 L HN -0.009 nan 8.230 nan 0.000 0.431 563 Q N 2.542 122.115 119.800 -0.379 0.000 2.242 563 Q HA 0.345 4.697 4.340 0.021 0.000 0.246 563 Q C 0.960 176.580 176.000 -0.633 0.000 0.883 563 Q CA 0.089 55.651 55.803 -0.401 0.000 0.984 563 Q CB 0.762 29.359 28.738 -0.234 0.000 1.096 563 Q HN 0.881 nan 8.270 nan 0.000 0.452 564 G N -0.215 107.826 108.800 -1.264 0.000 2.482 564 G HA2 0.069 4.042 3.960 0.021 0.000 0.214 564 G HA3 0.069 4.042 3.960 0.021 0.000 0.214 564 G C -0.194 173.919 174.900 -1.311 0.000 1.271 564 G CA -0.753 43.302 45.100 -1.741 0.000 0.944 564 G HN 0.707 nan 8.290 nan 0.000 0.568 565 G N -2.389 105.912 108.800 -0.832 0.000 2.349 565 G HA2 0.638 4.610 3.960 0.021 0.000 0.294 565 G HA3 0.638 4.610 3.960 0.021 0.000 0.294 565 G C -1.722 173.050 174.900 -0.213 0.000 1.380 565 G CA -0.287 44.505 45.100 -0.513 0.000 0.811 565 G HN 1.118 nan 8.290 nan 0.000 0.519 566 F N 0.752 120.926 119.950 0.373 0.000 2.361 566 F HA 0.531 5.069 4.527 0.019 0.000 0.364 566 F C 0.824 176.952 175.800 0.547 0.000 1.117 566 F CA -0.678 57.594 58.000 0.454 0.000 1.071 566 F CB 1.938 41.099 39.000 0.268 0.000 1.188 566 F HN 0.224 nan 8.300 nan 0.000 0.464 567 V N 3.496 123.734 119.914 0.539 0.000 2.963 567 V HA -0.058 4.075 4.120 0.021 0.000 0.306 567 V C -0.362 175.904 176.094 0.285 0.000 1.077 567 V CA -0.371 62.032 62.300 0.172 0.000 1.124 567 V CB 1.042 32.968 31.823 0.171 0.000 0.987 567 V HN 0.752 nan 8.190 nan 0.000 0.487 568 W N 6.133 127.505 121.300 0.120 0.000 2.362 568 W HA 0.473 5.146 4.660 0.020 0.000 0.316 568 W C -0.997 175.543 176.519 0.035 0.000 1.024 568 W CA -0.728 56.723 57.345 0.176 0.000 1.270 568 W CB 1.484 31.183 29.460 0.398 0.000 1.273 568 W HN 0.897 nan 8.180 nan 0.000 0.424 569 D N 2.853 122.953 120.400 -0.500 0.000 2.798 569 D HA 0.135 4.787 4.640 0.021 0.000 0.308 569 D C 0.700 176.793 176.300 -0.346 0.000 1.187 569 D CA -0.537 53.043 54.000 -0.700 0.000 1.033 569 D CB 0.284 40.115 40.800 -1.616 0.000 1.445 569 D HN 0.412 nan 8.370 nan 0.000 0.550 570 W N 0.608 121.607 121.300 -0.501 0.000 2.423 570 W HA 0.084 4.757 4.660 0.021 0.000 0.321 570 W C -0.143 176.159 176.519 -0.361 0.000 1.180 570 W CA 1.182 58.288 57.345 -0.398 0.000 1.322 570 W CB 0.117 29.369 29.460 -0.348 0.000 1.174 570 W HN 0.185 nan 8.180 nan 0.000 0.470 571 V N 1.420 121.091 119.914 -0.404 0.000 2.769 571 V HA 0.244 4.376 4.120 0.021 0.000 0.312 571 V C -0.666 175.216 176.094 -0.354 0.000 1.058 571 V CA -1.001 61.023 62.300 -0.460 0.000 0.952 571 V CB 1.267 32.971 31.823 -0.198 0.000 1.019 571 V HN -0.120 nan 8.190 nan 0.000 0.445 572 D N 1.966 122.176 120.400 -0.317 0.000 2.425 572 D HA 0.150 4.803 4.640 0.021 0.000 0.247 572 D C 0.406 176.554 176.300 -0.254 0.000 1.147 572 D CA 0.432 54.300 54.000 -0.221 0.000 0.879 572 D CB 1.064 41.828 40.800 -0.060 0.000 1.179 572 D HN 0.603 nan 8.370 nan 0.000 0.456 573 Q N 1.153 120.732 119.800 -0.369 0.000 2.642 573 Q HA 0.097 4.450 4.340 0.021 0.000 0.319 573 Q C -0.079 175.880 176.000 -0.069 0.000 1.030 573 Q CA -0.288 55.091 55.803 -0.706 0.000 0.943 573 Q CB 0.072 28.476 28.738 -0.556 0.000 1.323 573 Q HN 0.404 nan 8.270 nan 0.000 0.419 574 S N -0.589 115.181 115.700 0.117 0.000 2.610 574 S HA 0.603 5.085 4.470 0.021 0.000 0.273 574 S C -0.126 174.662 174.600 0.312 0.000 1.274 574 S CA -0.728 57.655 58.200 0.304 0.000 1.023 574 S CB 1.425 64.776 63.200 0.252 0.000 0.962 574 S HN 0.299 nan 8.310 nan 0.000 0.523 575 L N 1.391 122.711 121.223 0.163 0.000 2.341 575 L HA 0.569 4.922 4.340 0.021 0.000 0.267 575 L C -0.333 176.439 176.870 -0.162 0.000 1.009 575 L CA -1.060 53.745 54.840 -0.058 0.000 0.819 575 L CB 1.681 43.573 42.059 -0.279 0.000 1.323 575 L HN 0.640 nan 8.230 nan 0.000 0.425 576 I N 2.214 122.633 120.570 -0.251 0.000 2.371 576 I HA 0.222 4.404 4.170 0.021 0.000 0.290 576 I C -0.038 175.703 176.117 -0.626 0.000 1.028 576 I CA -0.166 60.858 61.300 -0.459 0.000 1.345 576 I CB 1.096 38.832 38.000 -0.440 0.000 1.407 576 I HN 0.518 nan 8.210 nan 0.000 0.501 577 K N 5.448 125.192 120.400 -1.093 0.000 2.340 577 K HA 0.558 4.890 4.320 0.021 0.000 0.244 577 K C -1.612 174.226 176.600 -1.269 0.000 0.973 577 K CA -0.729 54.843 56.287 -1.191 0.000 0.828 577 K CB 2.404 33.916 32.500 -1.647 0.000 1.226 577 K HN 0.281 nan 8.250 nan 0.000 0.437 578 Y N 0.652 120.783 120.300 -0.281 0.000 2.446 578 Y HA 0.131 4.693 4.550 0.021 0.000 0.345 578 Y C 0.259 176.316 175.900 0.262 0.000 0.984 578 Y CA -0.991 57.123 58.100 0.024 0.000 1.058 578 Y CB 1.401 39.856 38.460 -0.008 0.000 1.220 578 Y HN 0.690 nan 8.280 nan 0.000 0.455 579 D N 0.166 120.839 120.400 0.455 0.000 2.478 579 D HA 0.017 4.669 4.640 0.021 0.000 0.269 579 D C 1.102 177.504 176.300 0.169 0.000 1.232 579 D CA -0.467 53.697 54.000 0.274 0.000 1.059 579 D CB 0.311 41.190 40.800 0.131 0.000 1.104 579 D HN 0.752 nan 8.370 nan 0.000 0.566 580 E N -0.457 119.799 120.200 0.093 0.000 2.273 580 E HA -0.265 4.097 4.350 0.021 0.000 0.198 580 E C -0.070 176.561 176.600 0.052 0.000 1.002 580 E CA 1.193 57.626 56.400 0.055 0.000 0.828 580 E CB -0.391 29.325 29.700 0.025 0.000 0.747 580 E HN 0.512 nan 8.360 nan 0.000 0.491 581 N N -0.314 118.428 118.700 0.071 0.000 2.351 581 N HA 0.147 4.900 4.740 0.021 0.000 0.254 581 N C 0.535 176.089 175.510 0.073 0.000 1.241 581 N CA 0.293 53.378 53.050 0.058 0.000 0.883 581 N CB 1.262 39.777 38.487 0.047 0.000 1.202 581 N HN 0.244 nan 8.380 nan 0.000 0.512 582 G N 1.421 110.281 108.800 0.099 0.000 2.198 582 G HA2 -0.270 3.703 3.960 0.021 0.000 0.260 582 G HA3 -0.270 3.703 3.960 0.021 0.000 0.260 582 G C -0.493 174.549 174.900 0.237 0.000 1.025 582 G CA -0.151 45.006 45.100 0.096 0.000 0.769 582 G HN 0.352 nan 8.290 nan 0.000 0.507 583 N N 1.154 120.018 118.700 0.274 0.000 2.438 583 N HA 0.542 5.295 4.740 0.021 0.000 0.282 583 N C -2.398 173.299 175.510 0.311 0.000 1.037 583 N CA -1.500 51.708 53.050 0.262 0.000 0.942 583 N CB 2.023 40.614 38.487 0.174 0.000 1.136 583 N HN 0.151 nan 8.380 nan 0.000 0.481 584 P HA 0.434 nan 4.420 nan 0.000 0.282 584 P C -0.651 176.599 177.300 -0.084 0.000 1.259 584 P CA -0.487 62.453 63.100 -0.267 0.000 0.826 584 P CB 0.951 32.425 31.700 -0.376 0.000 1.064 585 W N -1.234 119.815 121.300 -0.419 0.000 3.248 585 W HA 0.366 5.039 4.660 0.021 0.000 0.311 585 W C -1.626 174.705 176.519 -0.313 0.000 1.258 585 W CA -0.920 56.189 57.345 -0.393 0.000 1.191 585 W CB 0.094 29.108 29.460 -0.744 0.000 1.389 585 W HN 0.121 nan 8.180 nan 0.000 0.561 586 S N 1.857 117.541 115.700 -0.026 0.000 2.455 586 S HA 0.560 5.043 4.470 0.021 0.000 0.278 586 S C 0.291 174.960 174.600 0.115 0.000 1.216 586 S CA -0.181 58.018 58.200 -0.003 0.000 1.055 586 S CB 0.819 64.101 63.200 0.136 0.000 0.939 586 S HN 0.646 nan 8.310 nan 0.000 0.494 587 A N 2.944 125.694 122.820 -0.117 0.000 2.294 587 A HA 0.880 5.213 4.320 0.021 0.000 0.330 587 A C -0.561 177.233 177.584 0.350 0.000 1.133 587 A CA -0.687 51.333 52.037 -0.028 0.000 0.836 587 A CB 0.610 19.335 19.000 -0.458 0.000 1.190 587 A HN 0.858 nan 8.150 nan 0.000 0.492 588 Y N -0.878 119.731 120.300 0.514 0.000 3.068 588 Y HA 0.751 5.314 4.550 0.021 0.000 0.302 588 Y C 0.563 176.858 175.900 0.659 0.000 1.610 588 Y CA -1.482 56.945 58.100 0.545 0.000 1.078 588 Y CB -0.096 38.502 38.460 0.229 0.000 1.418 588 Y HN 0.986 nan 8.280 nan 0.000 0.525 589 G N 0.007 109.299 108.800 0.822 0.000 2.287 589 G HA2 0.365 4.338 3.960 0.021 0.000 0.235 589 G HA3 0.365 4.338 3.960 0.021 0.000 0.235 589 G C 1.044 176.333 174.900 0.649 0.000 1.258 589 G CA 0.496 45.980 45.100 0.640 0.000 0.884 589 G HN 2.033 nan 8.290 nan 0.000 0.518 590 G N 2.012 111.140 108.800 0.546 0.000 2.189 590 G HA2 -0.293 3.680 3.960 0.021 0.000 0.267 590 G HA3 -0.293 3.680 3.960 0.021 0.000 0.267 590 G C 0.850 175.984 174.900 0.390 0.000 0.975 590 G CA 0.777 46.130 45.100 0.421 0.000 0.644 590 G HN 0.675 nan 8.290 nan 0.000 0.537 591 D N -0.590 120.074 120.400 0.439 0.000 2.363 591 D HA 0.190 4.842 4.640 0.021 0.000 0.226 591 D C 1.144 177.331 176.300 -0.188 0.000 1.020 591 D CA 0.339 54.421 54.000 0.137 0.000 0.892 591 D CB -0.169 40.654 40.800 0.038 0.000 0.900 591 D HN 0.465 nan 8.370 nan 0.000 0.531 592 F N -0.777 119.310 119.950 0.227 0.000 2.735 592 F HA 0.301 4.841 4.527 0.021 0.000 0.304 592 F C 1.682 177.578 175.800 0.160 0.000 1.119 592 F CA -0.380 57.713 58.000 0.156 0.000 1.280 592 F CB 0.672 39.756 39.000 0.139 0.000 0.994 592 F HN -0.079 nan 8.300 nan 0.000 0.520 593 G N 0.805 109.762 108.800 0.263 0.000 2.166 593 G HA2 -0.309 3.663 3.960 0.021 0.000 0.260 593 G HA3 -0.309 3.663 3.960 0.021 0.000 0.260 593 G C -0.096 174.950 174.900 0.243 0.000 0.986 593 G CA 0.355 45.581 45.100 0.210 0.000 0.683 593 G HN 0.477 nan 8.290 nan 0.000 0.527 594 D N 0.410 121.009 120.400 0.332 0.000 2.417 594 D HA 0.407 5.059 4.640 0.021 0.000 0.250 594 D C -0.038 176.397 176.300 0.225 0.000 1.166 594 D CA 0.522 54.712 54.000 0.316 0.000 0.881 594 D CB 1.152 42.211 40.800 0.432 0.000 1.164 594 D HN 0.053 nan 8.370 nan 0.000 0.467 595 T N 2.689 117.348 114.554 0.175 0.000 2.916 595 T HA 0.484 4.846 4.350 0.021 0.000 0.298 595 T C -2.323 172.425 174.700 0.079 0.000 1.031 595 T CA -0.942 61.227 62.100 0.114 0.000 0.993 595 T CB 1.974 70.904 68.868 0.104 0.000 1.045 595 T HN 0.401 nan 8.240 nan 0.000 0.454 596 P HA 0.522 nan 4.420 nan 0.000 0.281 596 P C -1.120 176.170 177.300 -0.017 0.000 1.281 596 P CA -0.722 62.384 63.100 0.011 0.000 0.811 596 P CB 0.795 32.478 31.700 -0.028 0.000 1.154 597 N N -1.248 117.442 118.700 -0.016 0.000 2.610 597 N HA 0.137 4.889 4.740 0.021 0.000 0.264 597 N C -1.111 174.362 175.510 -0.061 0.000 1.348 597 N CA -0.534 52.480 53.050 -0.061 0.000 0.819 597 N CB 1.478 40.015 38.487 0.082 0.000 1.521 597 N HN 0.193 nan 8.380 nan 0.000 0.497 598 D N 0.326 120.638 120.400 -0.147 0.000 2.427 598 D HA 0.090 4.743 4.640 0.021 0.000 0.224 598 D C 0.712 177.230 176.300 0.363 0.000 1.157 598 D CA -0.148 53.876 54.000 0.040 0.000 0.828 598 D CB 0.751 41.468 40.800 -0.139 0.000 0.974 598 D HN 0.642 nan 8.370 nan 0.000 0.498 599 R N 0.471 121.164 120.500 0.322 0.000 3.772 599 R HA -0.381 3.971 4.340 0.021 0.000 0.480 599 R C 1.073 177.293 176.300 -0.132 0.000 0.241 599 R CA 1.522 57.757 56.100 0.225 0.000 1.508 599 R CB -1.444 28.914 30.300 0.096 0.000 0.956 599 R HN 0.015 nan 8.270 nan 0.000 0.583 600 Q N 0.665 120.051 119.800 -0.690 0.000 2.364 600 Q HA 0.062 4.414 4.340 0.021 0.000 0.209 600 Q C 1.888 177.546 176.000 -0.571 0.000 0.977 600 Q CA 1.989 57.239 55.803 -0.921 0.000 0.885 600 Q CB -0.374 27.739 28.738 -1.043 0.000 0.941 600 Q HN 0.495 nan 8.270 nan 0.000 0.464 601 F N 0.684 120.518 119.950 -0.193 0.000 2.354 601 F HA -0.252 4.288 4.527 0.021 0.000 0.300 601 F C 1.776 177.517 175.800 -0.099 0.000 1.052 601 F CA 0.999 58.977 58.000 -0.037 0.000 1.425 601 F CB -0.407 38.630 39.000 0.062 0.000 1.095 601 F HN 0.367 nan 8.300 nan 0.000 0.560 602 C N -1.568 117.483 119.300 -0.416 0.000 2.697 602 C HA 0.338 4.810 4.460 0.021 0.000 0.267 602 C C 0.817 175.598 174.990 -0.349 0.000 1.278 602 C CA -0.622 57.978 59.018 -0.697 0.000 1.708 602 C CB -1.478 25.224 27.740 -1.730 0.000 1.860 602 C HN 0.195 nan 8.230 nan 0.000 0.589 603 M N 3.135 122.583 119.600 -0.254 0.000 2.027 603 M HA 0.351 4.844 4.480 0.021 0.000 0.329 603 M C -0.553 175.641 176.300 -0.176 0.000 0.971 603 M CA 0.233 55.421 55.300 -0.188 0.000 0.933 603 M CB 0.545 33.063 32.600 -0.137 0.000 1.392 603 M HN 0.276 nan 8.290 nan 0.000 0.394 604 N N 1.255 119.845 118.700 -0.184 0.000 2.232 604 N HA 0.138 4.891 4.740 0.021 0.000 0.240 604 N C 0.375 175.683 175.510 -0.337 0.000 1.307 604 N CA -0.118 52.792 53.050 -0.234 0.000 0.859 604 N CB 1.225 39.644 38.487 -0.113 0.000 1.260 604 N HN 0.672 nan 8.380 nan 0.000 0.501 605 G N 0.296 108.845 108.800 -0.417 0.000 2.572 605 G HA2 0.398 4.370 3.960 0.021 0.000 0.261 605 G HA3 0.398 4.370 3.960 0.021 0.000 0.261 605 G C 0.894 175.305 174.900 -0.815 0.000 1.197 605 G CA -0.428 44.320 45.100 -0.586 0.000 0.870 605 G HN 0.103 nan 8.290 nan 0.000 0.548 606 L N -0.212 120.537 121.223 -0.789 0.000 2.375 606 L HA 0.164 4.517 4.340 0.021 0.000 0.215 606 L C 0.810 177.093 176.870 -0.978 0.000 1.108 606 L CA 0.243 54.638 54.840 -0.743 0.000 0.830 606 L CB 0.066 41.838 42.059 -0.478 0.000 0.959 606 L HN 0.404 nan 8.230 nan 0.000 0.457 607 V N -4.652 114.582 119.914 -1.134 0.000 2.914 607 V HA 0.474 4.606 4.120 0.021 0.000 0.314 607 V C -0.273 175.395 176.094 -0.711 0.000 1.084 607 V CA -1.203 60.583 62.300 -0.857 0.000 0.963 607 V CB 1.587 32.920 31.823 -0.817 0.000 1.025 607 V HN -0.125 nan 8.190 nan 0.000 0.432 608 F N 1.803 121.648 119.950 -0.175 0.000 2.440 608 F HA 0.538 5.077 4.527 0.021 0.000 0.323 608 F C 1.958 177.684 175.800 -0.123 0.000 1.192 608 F CA 0.591 58.581 58.000 -0.018 0.000 1.252 608 F CB 0.984 40.002 39.000 0.030 0.000 1.214 608 F HN 0.790 nan 8.300 nan 0.000 0.578 609 A N 0.817 123.730 122.820 0.156 0.000 2.032 609 A HA -0.264 4.068 4.320 0.021 0.000 0.221 609 A C 1.570 179.135 177.584 -0.031 0.000 1.165 609 A CA 2.040 54.112 52.037 0.058 0.000 0.645 609 A CB -1.137 17.933 19.000 0.117 0.000 0.807 609 A HN 0.841 nan 8.150 nan 0.000 0.453 610 D N -3.140 117.264 120.400 0.007 0.000 2.349 610 D HA 0.147 4.799 4.640 0.021 0.000 0.224 610 D C 0.659 176.951 176.300 -0.013 0.000 1.029 610 D CA 0.144 54.121 54.000 -0.040 0.000 0.879 610 D CB -0.071 40.706 40.800 -0.040 0.000 0.906 610 D HN 0.212 nan 8.370 nan 0.000 0.528 611 R N -1.181 119.315 120.500 -0.007 0.000 3.854 611 R HA -0.120 4.232 4.340 0.021 0.000 0.352 611 R C -0.429 175.883 176.300 0.021 0.000 1.156 611 R CA 1.093 57.179 56.100 -0.022 0.000 0.917 611 R CB -3.324 26.994 30.300 0.031 0.000 1.471 611 R HN 0.563 nan 8.270 nan 0.000 0.521 612 T N -1.858 112.760 114.554 0.106 0.000 2.837 612 T HA 0.716 5.079 4.350 0.021 0.000 0.285 612 T C -2.383 172.481 174.700 0.274 0.000 0.984 612 T CA -2.180 60.015 62.100 0.158 0.000 1.049 612 T CB 2.318 71.252 68.868 0.110 0.000 0.947 612 T HN -0.162 nan 8.240 nan 0.000 0.472 613 P HA 0.208 nan 4.420 nan 0.000 0.275 613 P C -0.254 177.139 177.300 0.154 0.000 1.228 613 P CA -0.322 62.808 63.100 0.049 0.000 0.786 613 P CB 0.323 32.042 31.700 0.031 0.000 0.927 614 H N 2.723 121.635 119.070 -0.263 0.000 2.505 614 H HA 0.132 4.700 4.556 0.021 0.000 0.355 614 H C -1.198 174.049 175.328 -0.135 0.000 1.179 614 H CA -1.939 53.941 56.048 -0.279 0.000 1.343 614 H CB 0.666 30.219 29.762 -0.348 0.000 1.501 614 H HN 0.313 nan 8.280 nan 0.000 0.569 615 P HA -0.163 nan 4.420 nan 0.000 0.218 615 P C 1.273 178.577 177.300 0.007 0.000 1.148 615 P CA 1.312 64.412 63.100 -0.001 0.000 0.822 615 P CB -0.032 31.659 31.700 -0.017 0.000 0.784 616 A N 0.138 122.966 122.820 0.013 0.000 1.958 616 A HA -0.230 4.103 4.320 0.021 0.000 0.221 616 A C 2.135 179.664 177.584 -0.092 0.000 1.178 616 A CA 1.715 53.718 52.037 -0.056 0.000 0.642 616 A CB -1.746 17.199 19.000 -0.092 0.000 0.816 616 A HN 0.178 nan 8.150 nan 0.000 0.453 617 L N -0.161 121.027 121.223 -0.059 0.000 2.103 617 L HA -0.206 4.146 4.340 0.021 0.000 0.215 617 L C 2.441 179.333 176.870 0.036 0.000 1.080 617 L CA 2.806 57.641 54.840 -0.010 0.000 0.764 617 L CB -0.985 41.075 42.059 0.002 0.000 0.890 617 L HN 0.419 nan 8.230 nan 0.000 0.435 618 T N -1.284 113.300 114.554 0.050 0.000 2.770 618 T HA -0.177 4.185 4.350 0.021 0.000 0.263 618 T C 1.704 176.474 174.700 0.117 0.000 1.039 618 T CA 1.280 63.459 62.100 0.131 0.000 1.142 618 T CB -0.153 68.790 68.868 0.126 0.000 0.868 618 T HN 0.367 nan 8.240 nan 0.000 0.435 619 E N 1.488 121.710 120.200 0.036 0.000 2.097 619 E HA -0.136 4.227 4.350 0.021 0.000 0.196 619 E C 2.135 178.695 176.600 -0.066 0.000 1.000 619 E CA 1.456 57.873 56.400 0.028 0.000 0.804 619 E CB -0.501 29.194 29.700 -0.009 0.000 0.740 619 E HN 0.453 nan 8.360 nan 0.000 0.454 620 A N 0.937 123.602 122.820 -0.259 0.000 1.835 620 A HA -0.262 4.070 4.320 0.021 0.000 0.215 620 A C 2.173 179.602 177.584 -0.260 0.000 1.199 620 A CA 2.285 54.110 52.037 -0.354 0.000 0.615 620 A CB -0.871 17.939 19.000 -0.316 0.000 0.838 620 A HN 0.306 nan 8.150 nan 0.000 0.444 621 K N -0.938 119.374 120.400 -0.147 0.000 2.077 621 K HA -0.306 4.026 4.320 0.021 0.000 0.213 621 K C 2.062 178.543 176.600 -0.198 0.000 1.051 621 K CA 2.317 58.544 56.287 -0.100 0.000 0.929 621 K CB -0.489 32.097 32.500 0.144 0.000 0.715 621 K HN 0.785 nan 8.250 nan 0.000 0.451 622 H N -0.954 117.916 119.070 -0.333 0.000 2.363 622 H HA -0.038 4.531 4.556 0.021 0.000 0.301 622 H C 1.793 176.832 175.328 -0.482 0.000 1.074 622 H CA 1.117 56.795 56.048 -0.617 0.000 1.354 622 H CB 0.324 29.713 29.762 -0.622 0.000 1.397 622 H HN 0.310 nan 8.280 nan 0.000 0.516 623 Q N 0.625 120.114 119.800 -0.518 0.000 2.167 623 Q HA -0.116 4.236 4.340 0.021 0.000 0.202 623 Q C 1.906 177.353 176.000 -0.922 0.000 0.970 623 Q CA 1.150 56.577 55.803 -0.628 0.000 0.855 623 Q CB -0.103 28.426 28.738 -0.349 0.000 0.911 623 Q HN 0.710 nan 8.270 nan 0.000 0.438 624 Q N 1.015 120.227 119.800 -0.980 0.000 2.403 624 Q HA 0.008 4.361 4.340 0.021 0.000 0.203 624 Q C 0.422 175.837 176.000 -0.976 0.000 0.932 624 Q CA -0.226 54.864 55.803 -1.188 0.000 0.945 624 Q CB 0.071 28.165 28.738 -1.073 0.000 1.045 624 Q HN 0.433 nan 8.270 nan 0.000 0.511 625 Q N -0.188 119.190 119.800 -0.703 0.000 2.386 625 Q HA -0.060 4.293 4.340 0.021 0.000 0.282 625 Q C -0.366 175.253 176.000 -0.635 0.000 1.050 625 Q CA 0.315 55.812 55.803 -0.510 0.000 0.918 625 Q CB 0.406 29.002 28.738 -0.237 0.000 1.266 625 Q HN 0.182 nan 8.270 nan 0.000 0.423 626 F N 0.708 120.415 119.950 -0.404 0.000 2.789 626 F HA 0.270 4.809 4.527 0.020 0.000 0.300 626 F C -0.123 175.141 175.800 -0.894 0.000 1.132 626 F CA -0.011 57.528 58.000 -0.768 0.000 1.404 626 F CB 0.341 38.528 39.000 -1.355 0.000 1.114 626 F HN 0.339 nan 8.300 nan 0.000 0.584 627 F N 0.192 120.101 119.950 -0.068 0.000 2.520 627 F HA 0.496 5.037 4.527 0.022 0.000 0.322 627 F C -0.086 175.432 175.800 -0.469 0.000 1.103 627 F CA -1.052 56.814 58.000 -0.223 0.000 0.926 627 F CB 1.318 40.221 39.000 -0.161 0.000 1.154 627 F HN -0.327 nan 8.300 nan 0.000 0.453 628 Q N 3.128 122.677 119.800 -0.419 0.000 2.365 628 Q HA 0.524 4.877 4.340 0.021 0.000 0.269 628 Q C -1.461 174.161 176.000 -0.629 0.000 1.061 628 Q CA -0.664 54.877 55.803 -0.436 0.000 0.816 628 Q CB 3.155 31.795 28.738 -0.163 0.000 1.325 628 Q HN 0.545 nan 8.270 nan 0.000 0.446 629 F N 0.523 120.594 119.950 0.202 0.000 2.546 629 F HA 0.627 5.167 4.527 0.022 0.000 0.320 629 F C 0.361 176.388 175.800 0.378 0.000 1.076 629 F CA -0.842 57.349 58.000 0.319 0.000 0.928 629 F CB 1.955 41.251 39.000 0.493 0.000 1.189 629 F HN 0.135 nan 8.300 nan 0.000 0.465 630 R N 1.731 122.564 120.500 0.556 0.000 2.604 630 R HA 0.589 4.942 4.340 0.021 0.000 0.281 630 R C -2.031 174.358 176.300 0.148 0.000 1.020 630 R CA -1.126 55.206 56.100 0.387 0.000 0.899 630 R CB 2.849 33.270 30.300 0.202 0.000 1.205 630 R HN 0.553 nan 8.270 nan 0.000 0.450 631 L N 1.347 122.527 121.223 -0.072 0.000 2.305 631 L HA 0.484 4.837 4.340 0.021 0.000 0.284 631 L C -0.805 175.911 176.870 -0.256 0.000 1.013 631 L CA 0.171 54.725 54.840 -0.477 0.000 0.819 631 L CB 1.928 43.192 42.059 -1.325 0.000 1.227 631 L HN 0.534 nan 8.230 nan 0.000 0.417 632 S N 4.072 119.647 115.700 -0.208 0.000 2.745 632 S HA 0.676 5.159 4.470 0.021 0.000 0.283 632 S C 0.455 174.967 174.600 -0.147 0.000 1.170 632 S CA 0.217 58.337 58.200 -0.134 0.000 1.119 632 S CB 0.085 63.239 63.200 -0.076 0.000 1.035 632 S HN 1.428 nan 8.310 nan 0.000 0.483 633 G N 4.679 113.388 108.800 -0.151 0.000 2.675 633 G HA2 -0.342 3.630 3.960 0.021 0.000 0.312 633 G HA3 -0.342 3.630 3.960 0.021 0.000 0.312 633 G C 0.331 175.119 174.900 -0.186 0.000 1.186 633 G CA 0.830 45.845 45.100 -0.142 0.000 0.965 633 G HN 1.122 nan 8.290 nan 0.000 0.548 634 Q N -0.646 119.048 119.800 -0.176 0.000 2.110 634 Q HA 0.549 4.901 4.340 0.021 0.000 0.232 634 Q C -0.248 175.616 176.000 -0.227 0.000 0.810 634 Q CA 0.420 56.092 55.803 -0.218 0.000 1.083 634 Q CB 0.652 29.273 28.738 -0.194 0.000 1.193 634 Q HN 0.439 nan 8.270 nan 0.000 0.471 635 T N 1.575 116.011 114.554 -0.197 0.000 2.779 635 T HA 0.541 4.904 4.350 0.021 0.000 0.280 635 T C -0.463 174.136 174.700 -0.170 0.000 0.987 635 T CA -0.386 61.619 62.100 -0.158 0.000 0.966 635 T CB 1.003 69.809 68.868 -0.103 0.000 0.933 635 T HN 0.242 nan 8.240 nan 0.000 0.442 636 I N 2.749 123.239 120.570 -0.134 0.000 2.354 636 I HA 0.329 4.511 4.170 0.021 0.000 0.292 636 I C 0.474 176.615 176.117 0.041 0.000 0.989 636 I CA -0.645 60.614 61.300 -0.068 0.000 1.188 636 I CB 1.489 39.472 38.000 -0.028 0.000 1.342 636 I HN 0.536 nan 8.210 nan 0.000 0.457 637 E N 6.247 126.498 120.200 0.085 0.000 2.134 637 E HA 0.428 4.791 4.350 0.021 0.000 0.278 637 E C -1.457 175.229 176.600 0.144 0.000 0.959 637 E CA -0.575 55.882 56.400 0.094 0.000 0.783 637 E CB 1.557 31.297 29.700 0.067 0.000 1.095 637 E HN 0.331 nan 8.360 nan 0.000 0.399 638 V N 4.037 124.008 119.914 0.096 0.000 2.435 638 V HA 0.314 4.446 4.120 0.021 0.000 0.290 638 V C 0.010 176.103 176.094 -0.001 0.000 1.030 638 V CA -0.536 61.772 62.300 0.014 0.000 0.881 638 V CB 1.849 33.706 31.823 0.056 0.000 0.983 638 V HN 0.704 nan 8.190 nan 0.000 0.445 639 T N 3.296 117.813 114.554 -0.062 0.000 2.807 639 T HA 0.348 4.711 4.350 0.021 0.000 0.279 639 T C -0.133 174.583 174.700 0.027 0.000 0.993 639 T CA -0.217 61.877 62.100 -0.011 0.000 0.970 639 T CB 1.484 70.328 68.868 -0.039 0.000 0.950 639 T HN 0.712 nan 8.240 nan 0.000 0.441 640 S N 2.166 117.900 115.700 0.056 0.000 2.499 640 S HA 0.248 4.731 4.470 0.021 0.000 0.279 640 S C 0.780 175.310 174.600 -0.117 0.000 1.219 640 S CA -0.566 57.638 58.200 0.006 0.000 1.062 640 S CB 0.695 63.975 63.200 0.134 0.000 0.978 640 S HN 0.726 nan 8.310 nan 0.000 0.489 641 E N 2.968 123.007 120.200 -0.268 0.000 2.463 641 E HA 0.090 4.453 4.350 0.021 0.000 0.193 641 E C -0.733 175.717 176.600 -0.250 0.000 1.041 641 E CA -0.075 56.189 56.400 -0.227 0.000 0.879 641 E CB 0.249 29.808 29.700 -0.234 0.000 0.997 641 E HN 0.693 nan 8.360 nan 0.000 0.478 642 Y N 0.252 120.441 120.300 -0.186 0.000 2.397 642 Y HA 0.016 4.578 4.550 0.021 0.000 0.335 642 Y C 1.360 177.098 175.900 -0.271 0.000 1.213 642 Y CA 0.104 58.059 58.100 -0.242 0.000 1.391 642 Y CB 0.778 39.079 38.460 -0.264 0.000 1.293 642 Y HN -0.047 nan 8.280 nan 0.000 0.557 643 L N 1.079 122.134 121.223 -0.279 0.000 2.470 643 L HA 0.078 4.430 4.340 0.021 0.000 0.219 643 L C 0.726 177.154 176.870 -0.736 0.000 1.071 643 L CA 0.548 55.004 54.840 -0.640 0.000 0.850 643 L CB 0.074 41.407 42.059 -1.209 0.000 1.040 643 L HN 0.647 nan 8.230 nan 0.000 0.475 644 F N -0.329 119.642 119.950 0.035 0.000 2.619 644 F HA 0.194 4.733 4.527 0.019 0.000 0.281 644 F C 1.347 177.139 175.800 -0.013 0.000 1.065 644 F CA -0.800 57.194 58.000 -0.010 0.000 1.304 644 F CB 0.311 39.281 39.000 -0.050 0.000 1.059 644 F HN -0.119 nan 8.300 nan 0.000 0.648 645 R N 0.084 120.638 120.500 0.089 0.000 2.573 645 R HA 0.457 4.809 4.340 0.021 0.000 0.272 645 R C -1.089 175.200 176.300 -0.017 0.000 1.009 645 R CA -0.606 55.485 56.100 -0.014 0.000 1.059 645 R CB 0.701 30.900 30.300 -0.168 0.000 1.112 645 R HN 0.071 nan 8.270 nan 0.000 0.517 646 H N 0.256 119.290 119.070 -0.060 0.000 2.472 646 H HA 0.206 4.774 4.556 0.021 0.000 0.335 646 H C -0.386 174.942 175.328 -0.000 0.000 1.136 646 H CA -0.375 55.673 56.048 0.000 0.000 1.264 646 H CB 1.319 31.092 29.762 0.018 0.000 1.486 646 H HN 0.776 nan 8.280 nan 0.000 0.517 647 S N 2.996 118.605 115.700 -0.152 0.000 3.232 647 S HA -0.044 4.439 4.470 0.021 0.000 0.298 647 S C -0.139 174.551 174.600 0.150 0.000 1.159 647 S CA -0.023 58.226 58.200 0.081 0.000 1.240 647 S CB -0.767 62.467 63.200 0.058 0.000 1.584 647 S HN 0.720 nan 8.310 nan 0.000 0.558 648 D N 0.202 120.681 120.400 0.132 0.000 2.501 648 D HA 0.150 4.803 4.640 0.021 0.000 0.226 648 D C 0.104 176.449 176.300 0.076 0.000 1.198 648 D CA -0.557 53.521 54.000 0.130 0.000 0.830 648 D CB -0.151 40.722 40.800 0.122 0.000 1.014 648 D HN 0.459 nan 8.370 nan 0.000 0.496 649 N N 0.183 118.930 118.700 0.079 0.000 2.635 649 N HA 0.156 4.909 4.740 0.021 0.000 0.252 649 N C -1.695 173.870 175.510 0.092 0.000 1.589 649 N CA -0.116 52.973 53.050 0.065 0.000 0.828 649 N CB 0.339 38.851 38.487 0.040 0.000 1.403 649 N HN 0.008 nan 8.380 nan 0.000 0.518 650 E N 0.139 120.387 120.200 0.080 0.000 2.291 650 E HA 0.493 4.856 4.350 0.021 0.000 0.276 650 E C -1.828 174.799 176.600 0.044 0.000 0.896 650 E CA -0.557 55.882 56.400 0.066 0.000 0.774 650 E CB 1.972 31.681 29.700 0.016 0.000 1.227 650 E HN 0.159 nan 8.360 nan 0.000 0.413 651 L N 3.034 124.293 121.223 0.060 0.000 2.381 651 L HA 0.584 4.936 4.340 0.021 0.000 0.268 651 L C -1.738 175.192 176.870 0.101 0.000 0.997 651 L CA -0.983 53.902 54.840 0.075 0.000 0.818 651 L CB 1.800 43.910 42.059 0.085 0.000 1.310 651 L HN 0.557 nan 8.230 nan 0.000 0.416 652 L N 4.327 125.623 121.223 0.123 0.000 2.272 652 L HA 0.432 4.785 4.340 0.021 0.000 0.289 652 L C -0.786 176.219 176.870 0.225 0.000 1.032 652 L CA 0.069 55.014 54.840 0.175 0.000 0.810 652 L CB 0.679 42.847 42.059 0.182 0.000 1.205 652 L HN 0.625 nan 8.230 nan 0.000 0.422 653 H N 6.393 125.537 119.070 0.123 0.000 2.489 653 H HA 0.316 4.885 4.556 0.021 0.000 0.322 653 H C -1.421 174.009 175.328 0.170 0.000 1.091 653 H CA -0.543 55.545 56.048 0.067 0.000 1.291 653 H CB 0.770 30.531 29.762 -0.003 0.000 1.436 653 H HN 0.807 nan 8.280 nan 0.000 0.480 654 W N 5.359 126.349 121.300 -0.517 0.000 2.850 654 W HA 0.578 5.251 4.660 0.021 0.000 0.349 654 W C -1.672 174.621 176.519 -0.378 0.000 1.133 654 W CA -1.412 55.756 57.345 -0.294 0.000 1.117 654 W CB 1.636 31.024 29.460 -0.120 0.000 1.442 654 W HN 0.597 nan 8.180 nan 0.000 0.575 655 M N 2.003 121.859 119.600 0.427 0.000 2.523 655 M HA 0.493 4.986 4.480 0.021 0.000 0.287 655 M C -2.590 173.931 176.300 0.368 0.000 1.160 655 M CA -0.404 55.026 55.300 0.216 0.000 0.902 655 M CB 1.994 34.612 32.600 0.030 0.000 1.752 655 M HN 0.208 nan 8.290 nan 0.000 0.504 656 V N 2.836 122.943 119.914 0.320 0.000 2.628 656 V HA 1.050 5.182 4.120 0.021 0.000 0.306 656 V C -0.439 175.769 176.094 0.191 0.000 1.045 656 V CA -0.071 62.396 62.300 0.277 0.000 0.905 656 V CB 1.499 33.489 31.823 0.279 0.000 0.997 656 V HN 1.059 nan 8.190 nan 0.000 0.436 657 A N 3.790 126.737 122.820 0.210 0.000 2.589 657 A HA 0.828 5.161 4.320 0.021 0.000 0.296 657 A C -1.821 175.897 177.584 0.223 0.000 1.062 657 A CA -0.520 51.615 52.037 0.163 0.000 0.686 657 A CB 1.698 20.757 19.000 0.099 0.000 1.282 657 A HN 0.865 nan 8.150 nan 0.000 0.404 658 L N 1.577 122.896 121.223 0.160 0.000 2.276 658 L HA 0.577 4.930 4.340 0.021 0.000 0.286 658 L C -0.624 176.350 176.870 0.173 0.000 1.024 658 L CA 0.252 55.200 54.840 0.180 0.000 0.826 658 L CB 0.542 42.669 42.059 0.113 0.000 1.211 658 L HN 0.740 nan 8.230 nan 0.000 0.422 659 D N 4.912 125.482 120.400 0.284 0.000 2.755 659 D HA -0.197 4.455 4.640 0.021 0.000 0.227 659 D C 1.189 177.512 176.300 0.038 0.000 1.211 659 D CA 1.541 55.684 54.000 0.237 0.000 0.663 659 D CB -1.046 39.874 40.800 0.200 0.000 0.983 659 D HN 1.149 nan 8.370 nan 0.000 0.407 660 G N -0.776 108.003 108.800 -0.036 0.000 2.225 660 G HA2 -0.372 3.601 3.960 0.021 0.000 0.254 660 G HA3 -0.372 3.601 3.960 0.021 0.000 0.254 660 G C 0.122 174.943 174.900 -0.131 0.000 0.988 660 G CA 0.543 45.523 45.100 -0.200 0.000 0.625 660 G HN 0.567 nan 8.290 nan 0.000 0.527 661 K N 1.606 121.982 120.400 -0.039 0.000 2.240 661 K HA 0.609 4.941 4.320 0.021 0.000 0.271 661 K C -2.899 173.704 176.600 0.005 0.000 1.018 661 K CA -2.229 54.041 56.287 -0.027 0.000 0.874 661 K CB 2.187 34.681 32.500 -0.011 0.000 1.098 661 K HN 0.033 nan 8.250 nan 0.000 0.458 662 P HA 0.102 nan 4.420 nan 0.000 0.276 662 P C -0.244 177.066 177.300 0.017 0.000 1.243 662 P CA -0.207 62.894 63.100 0.002 0.000 0.768 662 P CB 0.713 32.397 31.700 -0.027 0.000 0.856 663 L N 1.362 122.612 121.223 0.045 0.000 2.749 663 L HA 0.559 4.911 4.340 0.021 0.000 0.242 663 L C 0.772 177.676 176.870 0.058 0.000 1.103 663 L CA 0.094 54.965 54.840 0.052 0.000 0.906 663 L CB 0.323 42.428 42.059 0.076 0.000 1.228 663 L HN 0.355 nan 8.230 nan 0.000 0.517 664 A N -0.193 122.659 122.820 0.054 0.000 2.590 664 A HA 0.728 5.060 4.320 0.021 0.000 0.294 664 A C -1.074 176.369 177.584 -0.235 0.000 1.046 664 A CA -0.353 51.696 52.037 0.020 0.000 0.684 664 A CB 1.353 20.504 19.000 0.253 0.000 1.279 664 A HN -0.027 nan 8.150 nan 0.000 0.415 665 S N -0.464 114.842 115.700 -0.657 0.000 2.537 665 S HA 0.923 5.406 4.470 0.021 0.000 0.270 665 S C -0.098 173.554 174.600 -1.580 0.000 1.142 665 S CA -0.234 57.238 58.200 -1.213 0.000 0.870 665 S CB 1.819 64.708 63.200 -0.519 0.000 1.112 665 S HN 2.092 nan 8.310 nan 0.000 0.466 666 G N 0.233 107.662 108.800 -2.285 0.000 2.766 666 G HA2 0.770 4.742 3.960 0.021 0.000 0.288 666 G HA3 0.770 4.742 3.960 0.021 0.000 0.288 666 G C -2.013 172.423 174.900 -0.773 0.000 1.408 666 G CA -0.763 43.522 45.100 -1.358 0.000 0.852 666 G HN 0.612 nan 8.290 nan 0.000 0.487 667 E N -0.998 119.117 120.200 -0.142 0.000 2.321 667 E HA 0.498 4.860 4.350 0.021 0.000 0.281 667 E C -1.695 174.993 176.600 0.147 0.000 0.910 667 E CA -0.614 55.822 56.400 0.060 0.000 0.770 667 E CB 2.962 32.707 29.700 0.075 0.000 1.225 667 E HN 0.308 nan 8.360 nan 0.000 0.417 668 V N 2.832 122.849 119.914 0.170 0.000 2.711 668 V HA 0.348 4.481 4.120 0.021 0.000 0.304 668 V C -2.543 173.618 176.094 0.113 0.000 1.097 668 V CA -1.895 60.494 62.300 0.148 0.000 0.906 668 V CB 2.104 34.032 31.823 0.174 0.000 1.015 668 V HN 0.530 nan 8.190 nan 0.000 0.427 669 P HA 0.283 nan 4.420 nan 0.000 0.271 669 P C -0.724 176.615 177.300 0.065 0.000 1.220 669 P CA -0.005 63.138 63.100 0.073 0.000 0.768 669 P CB 0.727 32.469 31.700 0.069 0.000 0.848 670 L N 3.243 124.490 121.223 0.041 0.000 2.292 670 L HA 0.306 4.658 4.340 0.021 0.000 0.284 670 L C 0.541 177.443 176.870 0.054 0.000 1.065 670 L CA 0.083 54.932 54.840 0.014 0.000 0.806 670 L CB 0.563 42.569 42.059 -0.088 0.000 1.175 670 L HN 0.283 nan 8.230 nan 0.000 0.431 671 D N 2.954 123.397 120.400 0.071 0.000 2.412 671 D HA 0.386 5.038 4.640 0.021 0.000 0.276 671 D C -1.155 175.159 176.300 0.024 0.000 1.196 671 D CA -0.108 53.989 54.000 0.162 0.000 0.905 671 D CB 0.888 41.818 40.800 0.217 0.000 1.081 671 D HN 0.102 nan 8.370 nan 0.000 0.502 672 V N 0.621 120.397 119.914 -0.230 0.000 2.588 672 V HA 0.907 5.040 4.120 0.021 0.000 0.304 672 V C 0.549 176.343 176.094 -0.500 0.000 1.042 672 V CA -1.349 60.836 62.300 -0.192 0.000 0.877 672 V CB 1.341 33.167 31.823 0.004 0.000 0.996 672 V HN 0.405 nan 8.190 nan 0.000 0.425 673 A N 5.478 128.162 122.820 -0.227 0.000 2.271 673 A HA 0.867 5.199 4.320 0.021 0.000 0.288 673 A C -2.423 175.153 177.584 -0.013 0.000 1.094 673 A CA -1.862 50.118 52.037 -0.095 0.000 0.828 673 A CB 0.086 19.175 19.000 0.148 0.000 1.091 673 A HN 0.723 nan 8.150 nan 0.000 0.493 674 P HA -0.021 nan 4.420 nan 0.000 0.263 674 P C -0.534 176.762 177.300 -0.006 0.000 1.175 674 P CA 0.712 63.825 63.100 0.021 0.000 0.761 674 P CB 0.300 31.995 31.700 -0.008 0.000 0.794 675 Q N -1.314 118.470 119.800 -0.027 0.000 2.406 675 Q HA -0.182 4.170 4.340 0.021 0.000 0.236 675 Q C 0.672 176.669 176.000 -0.006 0.000 0.799 675 Q CA 1.555 57.339 55.803 -0.032 0.000 1.286 675 Q CB -2.536 26.176 28.738 -0.043 0.000 1.615 675 Q HN 0.763 nan 8.270 nan 0.000 0.621 676 G N 0.236 109.043 108.800 0.011 0.000 2.521 676 G HA2 0.605 4.578 3.960 0.021 0.000 0.323 676 G HA3 0.605 4.578 3.960 0.021 0.000 0.323 676 G C -0.563 174.354 174.900 0.028 0.000 1.211 676 G CA -0.695 44.418 45.100 0.021 0.000 0.979 676 G HN -0.016 nan 8.290 nan 0.000 0.490 677 K N -0.467 119.951 120.400 0.030 0.000 2.267 677 K HA 0.502 4.835 4.320 0.021 0.000 0.246 677 K C -0.770 175.853 176.600 0.039 0.000 0.954 677 K CA -0.575 55.731 56.287 0.033 0.000 0.824 677 K CB 2.403 34.918 32.500 0.026 0.000 1.167 677 K HN 0.531 nan 8.250 nan 0.000 0.431 678 Q N 2.867 122.693 119.800 0.043 0.000 2.305 678 Q HA 0.386 4.738 4.340 0.021 0.000 0.271 678 Q C -1.656 174.372 176.000 0.046 0.000 1.046 678 Q CA -0.644 55.187 55.803 0.046 0.000 0.798 678 Q CB 1.412 30.179 28.738 0.047 0.000 1.286 678 Q HN 0.521 nan 8.270 nan 0.000 0.435 679 L N 5.134 126.378 121.223 0.035 0.000 2.295 679 L HA 0.584 4.937 4.340 0.021 0.000 0.285 679 L C -0.626 176.253 176.870 0.016 0.000 1.035 679 L CA -0.775 54.079 54.840 0.023 0.000 0.806 679 L CB 1.392 43.457 42.059 0.010 0.000 1.214 679 L HN 0.652 nan 8.230 nan 0.000 0.426 680 I N 3.171 123.741 120.570 0.000 0.000 2.468 680 I HA 0.278 4.461 4.170 0.021 0.000 0.285 680 I C -0.368 175.700 176.117 -0.082 0.000 1.039 680 I CA -0.398 60.889 61.300 -0.022 0.000 1.074 680 I CB 2.224 40.225 38.000 0.002 0.000 1.228 680 I HN 0.584 nan 8.210 nan 0.000 0.436 681 E N 6.528 126.680 120.200 -0.080 0.000 2.156 681 E HA 0.514 4.877 4.350 0.021 0.000 0.279 681 E C -1.053 175.451 176.600 -0.160 0.000 0.965 681 E CA -0.712 55.618 56.400 -0.117 0.000 0.789 681 E CB 1.804 31.455 29.700 -0.081 0.000 1.098 681 E HN 0.488 nan 8.360 nan 0.000 0.397 682 L N 5.344 126.418 121.223 -0.249 0.000 2.399 682 L HA 0.356 4.709 4.340 0.021 0.000 0.266 682 L C -1.972 174.765 176.870 -0.222 0.000 1.114 682 L CA -1.937 52.684 54.840 -0.365 0.000 0.804 682 L CB 0.624 42.347 42.059 -0.561 0.000 1.146 682 L HN 0.411 nan 8.230 nan 0.000 0.451 683 P HA -0.016 nan 4.420 nan 0.000 0.271 683 P C -0.776 176.478 177.300 -0.075 0.000 1.244 683 P CA -0.424 62.644 63.100 -0.054 0.000 0.793 683 P CB 0.358 32.099 31.700 0.068 0.000 0.984 684 E N 0.865 121.047 120.200 -0.030 0.000 2.415 684 E HA 0.046 4.408 4.350 0.021 0.000 0.263 684 E C -0.801 175.790 176.600 -0.015 0.000 0.995 684 E CA -0.107 56.274 56.400 -0.032 0.000 0.915 684 E CB -0.018 29.672 29.700 -0.015 0.000 0.951 684 E HN 0.269 nan 8.360 nan 0.000 0.449 685 L N 7.300 128.501 121.223 -0.037 0.000 2.292 685 L HA 0.370 4.722 4.340 0.021 0.000 0.284 685 L C -1.742 175.135 176.870 0.012 0.000 1.065 685 L CA -2.048 52.787 54.840 -0.009 0.000 0.806 685 L CB 0.864 42.895 42.059 -0.047 0.000 1.175 685 L HN 0.561 nan 8.230 nan 0.000 0.431 686 P HA 0.088 nan 4.420 nan 0.000 0.270 686 P C -1.525 175.792 177.300 0.027 0.000 1.227 686 P CA -0.336 62.788 63.100 0.038 0.000 0.788 686 P CB 0.536 32.271 31.700 0.058 0.000 0.926 687 Q N -0.518 119.295 119.800 0.022 0.000 2.364 687 Q HA 0.599 4.951 4.340 0.021 0.000 0.251 687 Q C -2.864 173.146 176.000 0.017 0.000 0.927 687 Q CA -1.316 54.496 55.803 0.016 0.000 0.924 687 Q CB 0.428 29.168 28.738 0.002 0.000 1.419 687 Q HN 0.253 nan 8.270 nan 0.000 0.427 688 P HA 0.439 nan 4.420 nan 0.000 0.285 688 P C -0.215 177.096 177.300 0.018 0.000 1.285 688 P CA -0.625 62.488 63.100 0.022 0.000 0.854 688 P CB 1.389 33.107 31.700 0.029 0.000 1.180 689 E N -0.295 119.916 120.200 0.018 0.000 2.076 689 E HA 0.004 4.366 4.350 0.021 0.000 0.190 689 E C 0.349 176.962 176.600 0.020 0.000 0.979 689 E CA 0.627 57.037 56.400 0.016 0.000 0.807 689 E CB -0.607 29.102 29.700 0.015 0.000 0.761 689 E HN 0.497 nan 8.360 nan 0.000 0.454 690 S N 1.681 117.396 115.700 0.025 0.000 2.558 690 S HA 0.109 4.592 4.470 0.021 0.000 0.297 690 S C 0.436 175.057 174.600 0.035 0.000 1.283 690 S CA 0.136 58.355 58.200 0.031 0.000 1.044 690 S CB 0.446 63.667 63.200 0.034 0.000 0.789 690 S HN 0.327 nan 8.310 nan 0.000 0.500 691 A N 2.031 124.875 122.820 0.040 0.000 2.296 691 A HA 0.783 5.115 4.320 0.021 0.000 0.264 691 A C 1.006 178.626 177.584 0.060 0.000 1.097 691 A CA 0.189 52.252 52.037 0.044 0.000 0.811 691 A CB -0.334 18.694 19.000 0.047 0.000 1.072 691 A HN 2.213 nan 8.150 nan 0.000 0.495 692 G N -0.807 108.032 108.800 0.065 0.000 2.371 692 G HA2 0.225 4.198 3.960 0.021 0.000 0.663 692 G HA3 0.225 4.198 3.960 0.021 0.000 0.663 692 G C -1.004 173.943 174.900 0.078 0.000 1.311 692 G CA -0.597 44.561 45.100 0.096 0.000 0.985 692 G HN 0.909 nan 8.290 nan 0.000 0.566 693 Q N -0.911 118.966 119.800 0.128 0.000 2.256 693 Q HA 0.655 5.007 4.340 0.021 0.000 0.257 693 Q C -0.508 175.573 176.000 0.135 0.000 0.936 693 Q CA -0.756 55.078 55.803 0.052 0.000 0.903 693 Q CB 2.119 30.881 28.738 0.040 0.000 1.263 693 Q HN 0.560 nan 8.270 nan 0.000 0.440 694 L N 3.403 124.592 121.223 -0.057 0.000 2.272 694 L HA 0.492 4.845 4.340 0.021 0.000 0.289 694 L C -1.829 174.989 176.870 -0.087 0.000 1.032 694 L CA -0.040 54.817 54.840 0.028 0.000 0.810 694 L CB 0.504 42.560 42.059 -0.004 0.000 1.205 694 L HN 0.593 nan 8.230 nan 0.000 0.422 695 W N 5.562 126.925 121.300 0.105 0.000 2.702 695 W HA 0.547 5.220 4.660 0.021 0.000 0.331 695 W C -0.935 175.685 176.519 0.169 0.000 1.049 695 W CA -0.735 56.694 57.345 0.140 0.000 1.230 695 W CB 1.717 31.284 29.460 0.178 0.000 1.408 695 W HN 0.258 nan 8.180 nan 0.000 0.492 696 L N 3.430 124.942 121.223 0.482 0.000 2.275 696 L HA 0.726 5.078 4.340 0.021 0.000 0.288 696 L C -0.310 176.866 176.870 0.510 0.000 1.046 696 L CA 0.212 55.309 54.840 0.427 0.000 0.805 696 L CB 1.070 43.329 42.059 0.332 0.000 1.193 696 L HN 0.331 nan 8.230 nan 0.000 0.426 697 T N 5.075 119.866 114.554 0.395 0.000 2.881 697 T HA 0.663 5.026 4.350 0.021 0.000 0.290 697 T C -0.942 173.928 174.700 0.282 0.000 1.000 697 T CA -0.396 61.889 62.100 0.309 0.000 0.978 697 T CB 1.593 70.586 68.868 0.209 0.000 0.997 697 T HN 0.617 nan 8.240 nan 0.000 0.443 698 V N 1.794 121.836 119.914 0.214 0.000 2.823 698 V HA 0.863 4.996 4.120 0.021 0.000 0.312 698 V C -0.931 175.237 176.094 0.123 0.000 1.072 698 V CA -1.087 61.309 62.300 0.160 0.000 0.937 698 V CB 2.086 33.965 31.823 0.093 0.000 1.013 698 V HN 0.829 nan 8.190 nan 0.000 0.430 699 R N 2.269 122.881 120.500 0.187 0.000 2.621 699 R HA 0.772 5.125 4.340 0.021 0.000 0.284 699 R C -1.671 174.775 176.300 0.243 0.000 0.998 699 R CA -0.716 55.529 56.100 0.241 0.000 0.895 699 R CB 2.683 33.100 30.300 0.195 0.000 1.195 699 R HN 0.707 nan 8.270 nan 0.000 0.450 700 V N 3.656 123.746 119.914 0.293 0.000 2.427 700 V HA 0.420 4.552 4.120 0.021 0.000 0.286 700 V C -0.226 175.997 176.094 0.215 0.000 1.034 700 V CA -0.597 61.844 62.300 0.235 0.000 0.893 700 V CB 1.748 33.711 31.823 0.233 0.000 0.982 700 V HN 0.433 nan 8.190 nan 0.000 0.452 701 V N 4.532 124.541 119.914 0.159 0.000 2.680 701 V HA 0.424 4.557 4.120 0.021 0.000 0.309 701 V C -0.324 175.853 176.094 0.137 0.000 1.052 701 V CA -0.776 61.606 62.300 0.136 0.000 0.908 701 V CB 2.003 33.878 31.823 0.087 0.000 1.001 701 V HN 0.882 nan 8.190 nan 0.000 0.431 702 Q N 4.657 124.550 119.800 0.155 0.000 2.421 702 Q HA 0.288 4.640 4.340 0.021 0.000 0.242 702 Q C -1.732 174.307 176.000 0.065 0.000 1.024 702 Q CA -1.761 54.116 55.803 0.123 0.000 0.891 702 Q CB 1.842 30.669 28.738 0.148 0.000 1.222 702 Q HN 0.497 nan 8.270 nan 0.000 0.483 703 P HA -0.155 nan 4.420 nan 0.000 0.216 703 P C -0.649 176.653 177.300 0.003 0.000 1.153 703 P CA 1.163 64.278 63.100 0.025 0.000 0.848 703 P CB 0.399 32.115 31.700 0.027 0.000 0.787 704 N N -0.782 117.913 118.700 -0.009 0.000 2.466 704 N HA 0.481 5.234 4.740 0.021 0.000 0.294 704 N C -0.512 174.950 175.510 -0.079 0.000 1.129 704 N CA -0.757 52.272 53.050 -0.034 0.000 0.931 704 N CB 0.987 39.457 38.487 -0.029 0.000 1.193 704 N HN -0.051 nan 8.380 nan 0.000 0.500 705 A N 0.349 123.114 122.820 -0.092 0.000 2.351 705 A HA 0.534 4.867 4.320 0.021 0.000 0.257 705 A C 0.538 178.003 177.584 -0.198 0.000 1.087 705 A CA -0.239 51.706 52.037 -0.154 0.000 0.798 705 A CB 0.046 18.980 19.000 -0.111 0.000 1.033 705 A HN 0.714 nan 8.150 nan 0.000 0.488 706 T N -2.320 112.026 114.554 -0.347 0.000 2.804 706 T HA 0.626 4.989 4.350 0.021 0.000 0.272 706 T C 1.054 175.584 174.700 -0.283 0.000 0.986 706 T CA 0.079 61.961 62.100 -0.363 0.000 0.999 706 T CB 1.035 69.459 68.868 -0.740 0.000 1.307 706 T HN 1.217 nan 8.240 nan 0.000 0.586 707 A N -0.317 122.421 122.820 -0.137 0.000 2.119 707 A HA 0.155 4.488 4.320 0.021 0.000 0.217 707 A C 1.598 179.300 177.584 0.196 0.000 1.153 707 A CA 0.722 52.804 52.037 0.075 0.000 0.692 707 A CB -0.786 18.325 19.000 0.185 0.000 0.799 707 A HN 0.903 nan 8.150 nan 0.000 0.458 708 W N -0.671 120.687 121.300 0.097 0.000 2.714 708 W HA 0.416 5.089 4.660 0.022 0.000 0.353 708 W C -0.128 176.364 176.519 -0.046 0.000 0.999 708 W CA 0.441 57.814 57.345 0.046 0.000 1.629 708 W CB -1.102 28.380 29.460 0.036 0.000 1.106 708 W HN 0.380 nan 8.180 nan 0.000 0.545 709 S N 0.371 115.623 115.700 -0.747 0.000 2.569 709 S HA 0.474 4.957 4.470 0.021 0.000 0.280 709 S C -0.467 173.896 174.600 -0.395 0.000 1.111 709 S CA -0.566 57.217 58.200 -0.696 0.000 0.887 709 S CB 2.921 65.284 63.200 -1.395 0.000 1.095 709 S HN 0.012 nan 8.310 nan 0.000 0.476 710 E N 0.856 120.938 120.200 -0.196 0.000 2.342 710 E HA 0.554 4.916 4.350 0.021 0.000 0.257 710 E C 0.386 176.945 176.600 -0.067 0.000 1.150 710 E CA -0.495 55.853 56.400 -0.086 0.000 0.926 710 E CB 1.237 30.938 29.700 0.002 0.000 1.074 710 E HN 0.895 nan 8.360 nan 0.000 0.449 711 A N -0.366 122.431 122.820 -0.038 0.000 2.407 711 A HA 0.452 4.784 4.320 0.021 0.000 0.248 711 A C 1.012 178.608 177.584 0.021 0.000 1.082 711 A CA 0.574 52.600 52.037 -0.018 0.000 0.785 711 A CB -0.136 18.853 19.000 -0.018 0.000 1.020 711 A HN 0.716 nan 8.150 nan 0.000 0.489 712 G N 0.321 109.143 108.800 0.037 0.000 2.143 712 G HA2 -0.240 3.732 3.960 0.021 0.000 0.248 712 G HA3 -0.240 3.732 3.960 0.021 0.000 0.248 712 G C 0.125 175.075 174.900 0.085 0.000 0.991 712 G CA 0.753 45.879 45.100 0.043 0.000 0.689 712 G HN 1.661 nan 8.290 nan 0.000 0.522 713 H N -0.008 119.071 119.070 0.014 0.000 2.732 713 H HA 0.557 5.125 4.556 0.021 0.000 0.351 713 H C 0.681 176.080 175.328 0.119 0.000 1.090 713 H CA -0.117 55.965 56.048 0.058 0.000 1.431 713 H CB 0.344 30.126 29.762 0.033 0.000 1.447 713 H HN 0.254 nan 8.280 nan 0.000 0.582 714 I N 4.329 124.657 120.570 -0.404 0.000 2.315 714 I HA 0.065 4.247 4.170 0.021 0.000 0.291 714 I C 0.830 176.831 176.117 -0.192 0.000 1.006 714 I CA -0.069 61.136 61.300 -0.157 0.000 1.265 714 I CB 1.672 39.630 38.000 -0.069 0.000 1.387 714 I HN 0.777 nan 8.210 nan 0.000 0.475 715 S N 4.085 119.914 115.700 0.214 0.000 2.502 715 S HA 0.582 5.065 4.470 0.021 0.000 0.215 715 S C 0.480 175.363 174.600 0.472 0.000 1.009 715 S CA 0.021 58.481 58.200 0.434 0.000 0.908 715 S CB 0.508 64.084 63.200 0.627 0.000 0.801 715 S HN 0.732 nan 8.310 nan 0.000 0.505 716 A N 0.385 123.518 122.820 0.522 0.000 2.566 716 A HA 0.681 5.014 4.320 0.021 0.000 0.290 716 A C -1.896 176.062 177.584 0.622 0.000 1.071 716 A CA -0.722 51.596 52.037 0.468 0.000 0.658 716 A CB 0.250 19.578 19.000 0.547 0.000 1.285 716 A HN 1.038 nan 8.150 nan 0.000 0.427 717 W N -0.857 120.609 121.300 0.278 0.000 2.982 717 W HA 0.751 5.424 4.660 0.022 0.000 0.344 717 W C -1.448 175.060 176.519 -0.018 0.000 1.215 717 W CA -0.388 56.984 57.345 0.045 0.000 1.182 717 W CB 0.888 30.333 29.460 -0.025 0.000 1.437 717 W HN 1.179 nan 8.180 nan 0.000 0.570 718 Q N 1.652 121.446 119.800 -0.010 0.000 2.545 718 Q HA 0.357 4.710 4.340 0.021 0.000 0.273 718 Q C -1.760 174.005 176.000 -0.392 0.000 0.975 718 Q CA -0.584 55.035 55.803 -0.308 0.000 0.876 718 Q CB 2.214 30.537 28.738 -0.691 0.000 1.472 718 Q HN 0.674 nan 8.270 nan 0.000 0.389 719 Q N 2.958 122.490 119.800 -0.447 0.000 2.421 719 Q HA 0.667 5.019 4.340 0.021 0.000 0.280 719 Q C -1.385 174.533 176.000 -0.138 0.000 1.085 719 Q CA -0.513 55.204 55.803 -0.143 0.000 0.807 719 Q CB 1.663 30.492 28.738 0.151 0.000 1.405 719 Q HN 0.682 nan 8.270 nan 0.000 0.419 720 W N 1.998 123.493 121.300 0.326 0.000 3.033 720 W HA 0.491 5.163 4.660 0.021 0.000 0.336 720 W C -0.347 176.196 176.519 0.040 0.000 1.173 720 W CA -0.882 56.579 57.345 0.194 0.000 1.185 720 W CB 1.956 31.454 29.460 0.064 0.000 1.425 720 W HN 0.585 nan 8.180 nan 0.000 0.536 721 R N 2.052 122.444 120.500 -0.178 0.000 2.254 721 R HA 0.344 4.696 4.340 0.021 0.000 0.318 721 R C 0.409 176.487 176.300 -0.369 0.000 1.031 721 R CA -0.150 55.425 56.100 -0.876 0.000 0.905 721 R CB 0.848 30.298 30.300 -1.417 0.000 1.050 721 R HN 0.637 nan 8.270 nan 0.000 0.456 722 L N 2.627 123.660 121.223 -0.317 0.000 2.316 722 L HA 0.355 4.707 4.340 0.021 0.000 0.207 722 L C 0.608 177.375 176.870 -0.171 0.000 1.070 722 L CA 0.400 55.135 54.840 -0.175 0.000 0.820 722 L CB 0.253 42.250 42.059 -0.103 0.000 0.992 722 L HN 0.691 nan 8.230 nan 0.000 0.466 723 A N -0.350 122.348 122.820 -0.204 0.000 2.586 723 A HA 0.595 4.928 4.320 0.021 0.000 0.291 723 A C -1.529 175.966 177.584 -0.149 0.000 1.062 723 A CA -0.441 51.510 52.037 -0.144 0.000 0.666 723 A CB 1.640 20.589 19.000 -0.086 0.000 1.281 723 A HN 0.005 nan 8.150 nan 0.000 0.421 724 E N 0.674 120.815 120.200 -0.098 0.000 2.263 724 E HA 0.412 4.774 4.350 0.021 0.000 0.268 724 E C -1.592 174.990 176.600 -0.030 0.000 0.884 724 E CA -0.635 55.725 56.400 -0.066 0.000 0.766 724 E CB 1.191 30.848 29.700 -0.072 0.000 1.196 724 E HN 0.600 nan 8.360 nan 0.000 0.416 725 N N 4.984 123.680 118.700 -0.008 0.000 2.511 725 N HA 0.281 5.033 4.740 0.021 0.000 0.249 725 N C -0.504 175.016 175.510 0.016 0.000 0.971 725 N CA -0.321 52.732 53.050 0.005 0.000 0.938 725 N CB 1.252 39.746 38.487 0.011 0.000 1.131 725 N HN 0.462 nan 8.380 nan 0.000 0.505 726 L N 0.762 121.993 121.223 0.014 0.000 2.439 726 L HA 0.105 4.457 4.340 0.021 0.000 0.269 726 L C 1.204 178.091 176.870 0.028 0.000 1.179 726 L CA 0.080 54.934 54.840 0.023 0.000 0.828 726 L CB 0.639 42.710 42.059 0.019 0.000 1.106 726 L HN 0.364 nan 8.230 nan 0.000 0.467 727 S N 1.526 117.248 115.700 0.037 0.000 2.400 727 S HA 0.242 4.724 4.470 0.021 0.000 0.295 727 S C 0.450 175.069 174.600 0.033 0.000 1.113 727 S CA -0.872 57.350 58.200 0.038 0.000 1.064 727 S CB 0.330 63.558 63.200 0.047 0.000 0.990 727 S HN 0.403 nan 8.310 nan 0.000 0.502 728 V N 3.227 123.157 119.914 0.027 0.000 3.170 728 V HA 0.272 4.405 4.120 0.021 0.000 0.354 728 V C 0.747 176.854 176.094 0.022 0.000 1.350 728 V CA -0.383 61.931 62.300 0.023 0.000 1.244 728 V CB -1.020 30.813 31.823 0.018 0.000 1.222 728 V HN 0.861 nan 8.190 nan 0.000 0.478 729 T N 0.258 114.827 114.554 0.025 0.000 2.770 729 T HA 0.739 5.102 4.350 0.021 0.000 0.283 729 T C -0.499 174.214 174.700 0.023 0.000 0.988 729 T CA -0.675 61.439 62.100 0.022 0.000 0.957 729 T CB 1.475 70.356 68.868 0.022 0.000 0.930 729 T HN 0.206 nan 8.240 nan 0.000 0.443 730 L N 3.212 124.445 121.223 0.017 0.000 2.380 730 L HA 0.600 4.953 4.340 0.021 0.000 0.273 730 L C -1.810 175.065 176.870 0.009 0.000 1.138 730 L CA -1.738 53.110 54.840 0.013 0.000 0.832 730 L CB -1.112 40.952 42.059 0.010 0.000 1.124 730 L HN 0.428 nan 8.230 nan 0.000 0.454 731 P HA 0.300 nan 4.420 nan 0.000 0.272 731 P C -0.708 176.580 177.300 -0.020 0.000 1.230 731 P CA -0.573 62.524 63.100 -0.005 0.000 0.788 731 P CB 0.589 32.284 31.700 -0.008 0.000 0.949 732 A N 1.729 124.529 122.820 -0.034 0.000 2.476 732 A HA 0.425 4.757 4.320 0.021 0.000 0.275 732 A C 0.867 178.390 177.584 -0.101 0.000 1.133 732 A CA -0.067 51.937 52.037 -0.055 0.000 0.797 732 A CB -1.049 17.919 19.000 -0.054 0.000 1.081 732 A HN 0.700 nan 8.150 nan 0.000 0.510 733 A N 4.448 127.227 122.820 -0.067 0.000 2.558 733 A HA 0.353 4.686 4.320 0.021 0.000 0.262 733 A C 1.075 178.578 177.584 -0.135 0.000 1.049 733 A CA 0.560 52.557 52.037 -0.067 0.000 0.804 733 A CB -0.928 18.058 19.000 -0.024 0.000 0.957 733 A HN 1.666 nan 8.150 nan 0.000 0.520 734 S N 2.883 118.502 115.700 -0.134 0.000 2.817 734 S HA -0.108 4.375 4.470 0.021 0.000 0.333 734 S C 0.799 175.330 174.600 -0.115 0.000 1.227 734 S CA 0.881 58.984 58.200 -0.162 0.000 1.027 734 S CB -0.206 62.944 63.200 -0.084 0.000 0.732 734 S HN 0.802 nan 8.310 nan 0.000 0.499 735 H N 1.767 120.839 119.070 0.004 0.000 2.326 735 H HA 0.116 4.684 4.556 0.021 0.000 0.301 735 H C 1.534 176.864 175.328 0.003 0.000 1.081 735 H CA 1.070 57.121 56.048 0.005 0.000 1.334 735 H CB 0.038 29.805 29.762 0.009 0.000 1.385 735 H HN 0.758 nan 8.280 nan 0.000 0.504 736 A N 0.777 123.661 122.820 0.106 0.000 2.450 736 A HA 0.609 4.942 4.320 0.021 0.000 0.281 736 A C -0.375 177.197 177.584 -0.020 0.000 1.372 736 A CA -0.306 51.756 52.037 0.041 0.000 0.886 736 A CB 0.486 19.506 19.000 0.033 0.000 1.462 736 A HN 0.323 nan 8.150 nan 0.000 0.514 737 I N -1.358 119.159 120.570 -0.089 0.000 2.741 737 I HA 0.488 4.670 4.170 0.021 0.000 0.288 737 I C -2.994 172.906 176.117 -0.363 0.000 1.482 737 I CA -1.699 59.514 61.300 -0.146 0.000 1.050 737 I CB 2.521 40.477 38.000 -0.073 0.000 1.388 737 I HN 0.391 nan 8.210 nan 0.000 0.428 738 P HA 0.341 nan 4.420 nan 0.000 0.279 738 P C -1.518 175.614 177.300 -0.280 0.000 1.239 738 P CA 0.163 63.077 63.100 -0.311 0.000 0.789 738 P CB 0.348 31.962 31.700 -0.144 0.000 0.933 739 H N 0.913 120.016 119.070 0.055 0.000 2.467 739 H HA 0.471 5.040 4.556 0.021 0.000 0.326 739 H C -0.408 174.953 175.328 0.056 0.000 1.094 739 H CA -0.975 55.099 56.048 0.045 0.000 1.253 739 H CB 1.156 30.946 29.762 0.047 0.000 1.439 739 H HN 0.254 nan 8.280 nan 0.000 0.479 740 L N 3.001 124.321 121.223 0.161 0.000 2.280 740 L HA 0.355 4.708 4.340 0.021 0.000 0.287 740 L C -0.492 176.457 176.870 0.132 0.000 1.023 740 L CA -0.051 54.858 54.840 0.116 0.000 0.819 740 L CB 1.294 43.374 42.059 0.035 0.000 1.212 740 L HN 0.585 nan 8.230 nan 0.000 0.420 741 T N 4.270 118.917 114.554 0.156 0.000 2.772 741 T HA 0.471 4.833 4.350 0.021 0.000 0.288 741 T C 0.043 174.849 174.700 0.175 0.000 0.994 741 T CA -0.229 61.950 62.100 0.132 0.000 0.951 741 T CB 0.647 69.575 68.868 0.100 0.000 0.933 741 T HN 0.746 nan 8.240 nan 0.000 0.447 742 T N 2.645 117.298 114.554 0.165 0.000 2.847 742 T HA 0.728 5.091 4.350 0.021 0.000 0.279 742 T C 0.173 174.901 174.700 0.048 0.000 0.984 742 T CA -0.669 61.536 62.100 0.174 0.000 0.988 742 T CB 1.261 70.249 68.868 0.200 0.000 1.040 742 T HN 0.688 nan 8.240 nan 0.000 0.528 743 S N -0.395 115.279 115.700 -0.043 0.000 2.643 743 S HA 0.209 4.692 4.470 0.021 0.000 0.266 743 S C 0.295 174.816 174.600 -0.131 0.000 1.130 743 S CA -0.338 57.824 58.200 -0.063 0.000 0.817 743 S CB 0.750 63.925 63.200 -0.042 0.000 1.107 743 S HN 0.828 nan 8.310 nan 0.000 0.471 744 E N 0.569 120.711 120.200 -0.096 0.000 2.435 744 E HA 0.092 4.455 4.350 0.021 0.000 0.195 744 E C 1.262 177.776 176.600 -0.143 0.000 1.029 744 E CA 0.437 56.765 56.400 -0.120 0.000 0.865 744 E CB -0.152 29.503 29.700 -0.075 0.000 0.833 744 E HN 0.443 nan 8.360 nan 0.000 0.510 745 M N 1.196 120.725 119.600 -0.118 0.000 2.394 745 M HA 0.188 4.681 4.480 0.021 0.000 0.266 745 M C -0.316 175.904 176.300 -0.133 0.000 1.098 745 M CA 0.943 56.187 55.300 -0.093 0.000 1.149 745 M CB -0.583 31.995 32.600 -0.037 0.000 1.369 745 M HN 0.236 nan 8.290 nan 0.000 0.450 746 D N -2.460 117.825 120.400 -0.191 0.000 2.779 746 D HA 0.410 5.063 4.640 0.021 0.000 0.331 746 D C -1.283 174.861 176.300 -0.260 0.000 1.331 746 D CA -0.636 53.247 54.000 -0.194 0.000 0.866 746 D CB 0.698 41.517 40.800 0.031 0.000 1.409 746 D HN -0.068 nan 8.370 nan 0.000 0.486 747 F N -0.359 119.674 119.950 0.138 0.000 2.507 747 F HA 0.607 5.146 4.527 0.021 0.000 0.325 747 F C -0.431 175.491 175.800 0.204 0.000 1.116 747 F CA -0.821 57.251 58.000 0.120 0.000 0.930 747 F CB 1.869 40.905 39.000 0.060 0.000 1.146 747 F HN 0.320 nan 8.300 nan 0.000 0.447 748 C N 3.974 123.494 119.300 0.367 0.000 2.456 748 C HA 0.750 5.223 4.460 0.021 0.000 0.325 748 C C -0.487 174.682 174.990 0.298 0.000 1.217 748 C CA -0.824 58.390 59.018 0.326 0.000 1.687 748 C CB 1.075 28.945 27.740 0.217 0.000 2.270 748 C HN 0.514 nan 8.230 nan 0.000 0.499 749 I N 3.772 124.572 120.570 0.383 0.000 2.436 749 I HA 0.469 4.651 4.170 0.021 0.000 0.289 749 I C -0.315 176.090 176.117 0.481 0.000 1.010 749 I CA -0.076 61.443 61.300 0.366 0.000 1.098 749 I CB 1.528 39.682 38.000 0.256 0.000 1.266 749 I HN 0.635 nan 8.210 nan 0.000 0.434 750 E N 7.637 128.038 120.200 0.334 0.000 2.266 750 E HA 0.771 5.133 4.350 0.021 0.000 0.268 750 E C -1.258 175.490 176.600 0.246 0.000 0.879 750 E CA -1.013 55.564 56.400 0.294 0.000 0.762 750 E CB 2.863 32.661 29.700 0.163 0.000 1.199 750 E HN 0.620 nan 8.360 nan 0.000 0.422 751 L N 1.071 122.446 121.223 0.254 0.000 2.795 751 L HA 0.517 4.869 4.340 0.021 0.000 0.260 751 L C 0.170 177.116 176.870 0.126 0.000 0.935 751 L CA 0.619 55.558 54.840 0.166 0.000 0.985 751 L CB 0.917 43.084 42.059 0.179 0.000 1.433 751 L HN 0.951 nan 8.230 nan 0.000 0.447 752 G N 4.397 113.243 108.800 0.078 0.000 2.547 752 G HA2 -0.387 3.585 3.960 0.021 0.000 0.271 752 G HA3 -0.387 3.585 3.960 0.021 0.000 0.271 752 G C 0.493 175.397 174.900 0.005 0.000 1.209 752 G CA 0.543 45.668 45.100 0.041 0.000 0.959 752 G HN 1.204 nan 8.290 nan 0.000 0.563 753 N N 0.901 119.585 118.700 -0.026 0.000 2.409 753 N HA 0.007 4.759 4.740 0.021 0.000 0.179 753 N C 0.774 176.223 175.510 -0.102 0.000 1.032 753 N CA 1.304 54.321 53.050 -0.056 0.000 0.898 753 N CB -0.108 38.348 38.487 -0.051 0.000 0.971 753 N HN 0.778 nan 8.380 nan 0.000 0.441 754 K N 0.709 121.018 120.400 -0.153 0.000 2.350 754 K HA 0.215 4.548 4.320 0.021 0.000 0.279 754 K C -0.030 176.328 176.600 -0.403 0.000 1.027 754 K CA -0.094 55.965 56.287 -0.379 0.000 0.969 754 K CB 1.104 33.285 32.500 -0.532 0.000 0.954 754 K HN 0.113 nan 8.250 nan 0.000 0.474 755 R N 2.920 123.126 120.500 -0.491 0.000 2.626 755 R HA 0.318 4.671 4.340 0.021 0.000 0.274 755 R C -1.709 174.512 176.300 -0.132 0.000 1.031 755 R CA -0.640 55.365 56.100 -0.158 0.000 0.898 755 R CB 1.323 31.606 30.300 -0.028 0.000 1.222 755 R HN 0.625 nan 8.270 nan 0.000 0.455 756 W N 3.595 125.027 121.300 0.221 0.000 2.739 756 W HA 0.335 5.007 4.660 0.021 0.000 0.331 756 W C -0.634 176.022 176.519 0.228 0.000 1.049 756 W CA -0.663 56.775 57.345 0.156 0.000 1.234 756 W CB 2.135 31.686 29.460 0.152 0.000 1.404 756 W HN 0.456 nan 8.180 nan 0.000 0.477 757 Q N 2.729 122.713 119.800 0.307 0.000 2.340 757 Q HA 0.457 4.809 4.340 0.021 0.000 0.268 757 Q C -1.912 174.099 176.000 0.018 0.000 1.031 757 Q CA -0.534 55.444 55.803 0.293 0.000 0.804 757 Q CB 1.653 30.587 28.738 0.328 0.000 1.286 757 Q HN 0.346 nan 8.270 nan 0.000 0.448 758 F N 2.766 122.822 119.950 0.176 0.000 2.426 758 F HA 0.300 4.840 4.527 0.021 0.000 0.348 758 F C 0.548 176.415 175.800 0.111 0.000 1.124 758 F CA -0.973 57.104 58.000 0.129 0.000 1.008 758 F CB 1.273 40.355 39.000 0.137 0.000 1.139 758 F HN 0.478 nan 8.300 nan 0.000 0.452 759 N N 3.648 122.471 118.700 0.206 0.000 2.420 759 N HA 0.071 4.823 4.740 0.021 0.000 0.262 759 N C 0.887 176.442 175.510 0.075 0.000 1.144 759 N CA -0.031 53.086 53.050 0.112 0.000 0.952 759 N CB 0.694 39.238 38.487 0.095 0.000 1.081 759 N HN 0.670 nan 8.380 nan 0.000 0.480 760 R N 2.693 123.168 120.500 -0.041 0.000 2.285 760 R HA -0.098 4.255 4.340 0.021 0.000 0.213 760 R C 1.119 177.381 176.300 -0.063 0.000 1.068 760 R CA 1.106 57.146 56.100 -0.101 0.000 1.004 760 R CB 0.138 30.240 30.300 -0.329 0.000 0.873 760 R HN 0.648 nan 8.270 nan 0.000 0.467 761 Q N 0.095 119.873 119.800 -0.037 0.000 2.204 761 Q HA -0.014 4.338 4.340 0.021 0.000 0.198 761 Q C 2.145 178.127 176.000 -0.030 0.000 0.946 761 Q CA 1.503 57.287 55.803 -0.031 0.000 0.859 761 Q CB 0.275 29.005 28.738 -0.014 0.000 0.946 761 Q HN 0.310 nan 8.270 nan 0.000 0.474 762 S N -1.031 114.667 115.700 -0.002 0.000 2.456 762 S HA 0.230 4.712 4.470 0.021 0.000 0.224 762 S C 1.638 176.117 174.600 -0.202 0.000 1.035 762 S CA 0.528 58.723 58.200 -0.007 0.000 0.940 762 S CB 0.320 63.614 63.200 0.156 0.000 0.799 762 S HN 0.485 nan 8.310 nan 0.000 0.508 763 G N 0.328 109.048 108.800 -0.133 0.000 2.141 763 G HA2 -0.186 3.786 3.960 0.021 0.000 0.231 763 G HA3 -0.186 3.786 3.960 0.021 0.000 0.231 763 G C -0.096 174.718 174.900 -0.143 0.000 0.984 763 G CA 0.107 45.127 45.100 -0.132 0.000 0.660 763 G HN 0.528 nan 8.290 nan 0.000 0.525 764 F N -0.801 119.316 119.950 0.278 0.000 2.507 764 F HA 0.658 5.198 4.527 0.021 0.000 0.327 764 F C 0.609 176.409 175.800 0.000 0.000 1.068 764 F CA -1.370 56.742 58.000 0.186 0.000 0.965 764 F CB 1.569 40.652 39.000 0.139 0.000 1.192 764 F HN 0.043 nan 8.300 nan 0.000 0.476 765 L N 1.987 123.230 121.223 0.032 0.000 2.433 765 L HA 0.192 4.544 4.340 0.021 0.000 0.284 765 L C 0.755 177.508 176.870 -0.196 0.000 1.120 765 L CA 0.397 54.917 54.840 -0.533 0.000 0.879 765 L CB 0.301 41.898 42.059 -0.771 0.000 1.232 765 L HN 0.687 nan 8.230 nan 0.000 0.454 766 S N 2.588 118.199 115.700 -0.148 0.000 2.446 766 S HA 0.107 4.589 4.470 0.021 0.000 0.225 766 S C 0.551 175.051 174.600 -0.166 0.000 1.016 766 S CA 0.344 58.501 58.200 -0.071 0.000 0.943 766 S CB -0.149 63.053 63.200 0.002 0.000 0.786 766 S HN 0.743 nan 8.310 nan 0.000 0.508 767 Q N -0.195 119.458 119.800 -0.245 0.000 2.702 767 Q HA 0.664 5.017 4.340 0.021 0.000 0.289 767 Q C -1.725 173.981 176.000 -0.490 0.000 0.923 767 Q CA -0.600 54.943 55.803 -0.433 0.000 0.787 767 Q CB 1.472 29.859 28.738 -0.584 0.000 1.476 767 Q HN 0.345 nan 8.270 nan 0.000 0.402 768 M N 0.863 120.026 119.600 -0.729 0.000 2.413 768 M HA 0.741 5.234 4.480 0.021 0.000 0.287 768 M C -2.099 173.807 176.300 -0.656 0.000 1.186 768 M CA -0.211 54.747 55.300 -0.569 0.000 0.927 768 M CB 1.817 34.112 32.600 -0.510 0.000 1.715 768 M HN 0.548 nan 8.290 nan 0.000 0.478 769 W N 4.036 125.125 121.300 -0.352 0.000 2.844 769 W HA 0.618 5.291 4.660 0.021 0.000 0.340 769 W C -1.555 174.764 176.519 -0.333 0.000 1.093 769 W CA -0.860 56.323 57.345 -0.270 0.000 1.212 769 W CB 2.004 31.342 29.460 -0.203 0.000 1.422 769 W HN 0.545 nan 8.180 nan 0.000 0.515 770 I N 2.734 123.314 120.570 0.016 0.000 2.405 770 I HA 0.408 4.591 4.170 0.021 0.000 0.280 770 I C 0.750 176.862 176.117 -0.008 0.000 1.027 770 I CA 0.686 61.943 61.300 -0.072 0.000 1.161 770 I CB 0.751 38.686 38.000 -0.109 0.000 1.300 770 I HN 0.702 nan 8.210 nan 0.000 0.463 771 G N 5.207 113.994 108.800 -0.021 0.000 2.514 771 G HA2 -0.306 3.667 3.960 0.021 0.000 0.265 771 G HA3 -0.306 3.667 3.960 0.021 0.000 0.265 771 G C 0.358 175.275 174.900 0.028 0.000 1.150 771 G CA 0.405 45.497 45.100 -0.013 0.000 0.959 771 G HN 0.597 nan 8.290 nan 0.000 0.556 772 D N 1.006 121.434 120.400 0.047 0.000 2.354 772 D HA 0.218 4.870 4.640 0.021 0.000 0.209 772 D C 0.778 177.222 176.300 0.241 0.000 1.015 772 D CA 0.744 54.795 54.000 0.085 0.000 0.867 772 D CB -0.013 40.803 40.800 0.026 0.000 0.933 772 D HN 0.613 nan 8.370 nan 0.000 0.520 773 K N 0.939 121.448 120.400 0.181 0.000 2.258 773 K HA 0.367 4.700 4.320 0.021 0.000 0.284 773 K C -0.107 176.500 176.600 0.012 0.000 1.051 773 K CA -0.395 55.952 56.287 0.100 0.000 0.923 773 K CB 1.292 33.798 32.500 0.011 0.000 1.046 773 K HN -0.191 nan 8.250 nan 0.000 0.474 774 K N 1.788 122.083 120.400 -0.176 0.000 2.154 774 K HA 0.093 4.426 4.320 0.021 0.000 0.264 774 K C 0.725 177.130 176.600 -0.326 0.000 1.008 774 K CA -0.260 55.691 56.287 -0.559 0.000 0.937 774 K CB 0.753 32.950 32.500 -0.505 0.000 1.002 774 K HN 0.469 nan 8.250 nan 0.000 0.469 775 Q N 0.986 120.570 119.800 -0.361 0.000 2.391 775 Q HA 0.205 4.558 4.340 0.021 0.000 0.243 775 Q C 0.077 175.988 176.000 -0.148 0.000 0.874 775 Q CA 0.411 56.116 55.803 -0.163 0.000 0.950 775 Q CB 0.510 29.201 28.738 -0.078 0.000 1.103 775 Q HN 0.476 nan 8.270 nan 0.000 0.544 776 L N 0.828 121.912 121.223 -0.232 0.000 2.352 776 L HA 0.383 4.735 4.340 0.021 0.000 0.269 776 L C 1.093 177.836 176.870 -0.211 0.000 1.034 776 L CA -0.344 54.380 54.840 -0.194 0.000 0.806 776 L CB 1.107 43.050 42.059 -0.194 0.000 1.244 776 L HN -0.035 nan 8.230 nan 0.000 0.447 777 L N -0.178 120.914 121.223 -0.218 0.000 2.749 777 L HA 0.270 4.622 4.340 0.021 0.000 0.242 777 L C -0.022 176.741 176.870 -0.179 0.000 1.103 777 L CA 0.440 55.159 54.840 -0.203 0.000 0.906 777 L CB 0.812 42.732 42.059 -0.232 0.000 1.228 777 L HN 0.618 nan 8.230 nan 0.000 0.517 778 T N 0.518 114.951 114.554 -0.201 0.000 2.933 778 T HA 0.392 4.754 4.350 0.021 0.000 0.305 778 T C -2.699 171.941 174.700 -0.100 0.000 1.092 778 T CA -1.074 60.947 62.100 -0.133 0.000 1.008 778 T CB 2.717 71.495 68.868 -0.150 0.000 1.102 778 T HN -0.265 nan 8.240 nan 0.000 0.469 779 P HA 0.187 nan 4.420 nan 0.000 0.269 779 P C -0.544 176.728 177.300 -0.046 0.000 1.215 779 P CA -0.721 62.361 63.100 -0.030 0.000 0.780 779 P CB 0.430 32.150 31.700 0.033 0.000 0.898 780 L N 3.931 125.158 121.223 0.007 0.000 2.369 780 L HA 0.228 4.580 4.340 0.021 0.000 0.279 780 L C 0.510 177.309 176.870 -0.119 0.000 1.108 780 L CA 0.507 55.373 54.840 0.044 0.000 0.852 780 L CB -0.647 41.541 42.059 0.215 0.000 1.169 780 L HN 0.415 nan 8.230 nan 0.000 0.452 781 R N 1.921 122.278 120.500 -0.240 0.000 2.799 781 R HA 0.630 4.983 4.340 0.021 0.000 0.270 781 R C -1.144 174.983 176.300 -0.289 0.000 1.010 781 R CA -1.089 54.695 56.100 -0.528 0.000 0.916 781 R CB 0.632 30.165 30.300 -1.278 0.000 1.228 781 R HN 0.374 nan 8.270 nan 0.000 0.469 782 D N 1.120 121.388 120.400 -0.220 0.000 2.455 782 D HA 0.021 4.674 4.640 0.021 0.000 0.241 782 D C -0.652 175.242 176.300 -0.678 0.000 1.138 782 D CA 0.489 54.249 54.000 -0.400 0.000 0.877 782 D CB 0.685 41.233 40.800 -0.420 0.000 1.187 782 D HN 0.352 nan 8.370 nan 0.000 0.451 783 Q N 1.552 120.779 119.800 -0.955 0.000 2.304 783 Q HA 0.364 4.716 4.340 0.021 0.000 0.270 783 Q C -1.072 174.222 176.000 -1.177 0.000 1.035 783 Q CA -0.610 54.686 55.803 -0.845 0.000 0.781 783 Q CB 0.790 29.256 28.738 -0.454 0.000 1.261 783 Q HN 0.538 nan 8.270 nan 0.000 0.444 784 F N 0.516 120.111 119.950 -0.592 0.000 2.746 784 F HA 0.188 4.727 4.527 0.021 0.000 0.320 784 F C 0.725 176.112 175.800 -0.688 0.000 1.097 784 F CA -0.243 57.304 58.000 -0.756 0.000 1.195 784 F CB 1.324 39.610 39.000 -1.191 0.000 1.056 784 F HN 0.428 nan 8.300 nan 0.000 0.562 785 T N -0.616 113.673 114.554 -0.441 0.000 2.883 785 T HA 0.823 5.186 4.350 0.021 0.000 0.284 785 T C -0.547 173.924 174.700 -0.382 0.000 1.041 785 T CA -0.950 60.820 62.100 -0.550 0.000 1.007 785 T CB 2.600 71.100 68.868 -0.615 0.000 1.220 785 T HN 0.261 nan 8.240 nan 0.000 0.552 786 R N -0.756 119.562 120.500 -0.304 0.000 2.643 786 R HA 0.709 5.062 4.340 0.021 0.000 0.269 786 R C -1.266 175.081 176.300 0.079 0.000 1.037 786 R CA -1.108 54.928 56.100 -0.108 0.000 0.894 786 R CB 1.264 31.487 30.300 -0.129 0.000 1.238 786 R HN 0.862 nan 8.270 nan 0.000 0.459 787 A N 3.776 126.631 122.820 0.058 0.000 2.444 787 A HA 0.333 4.666 4.320 0.021 0.000 0.287 787 A C -2.045 175.599 177.584 0.100 0.000 1.195 787 A CA -1.437 50.638 52.037 0.063 0.000 0.858 787 A CB -0.503 18.484 19.000 -0.022 0.000 1.117 787 A HN 0.552 nan 8.150 nan 0.000 0.521 788 P HA -0.006 nan 4.420 nan 0.000 0.259 788 P C -0.280 177.132 177.300 0.188 0.000 1.155 788 P CA 0.718 63.974 63.100 0.260 0.000 0.759 788 P CB 0.122 31.997 31.700 0.292 0.000 0.753 789 L N 2.585 123.886 121.223 0.129 0.000 2.468 789 L HA 0.215 4.568 4.340 0.021 0.000 0.254 789 L C 1.800 178.690 176.870 0.034 0.000 1.171 789 L CA -0.534 54.325 54.840 0.031 0.000 0.809 789 L CB 0.049 42.051 42.059 -0.095 0.000 1.155 789 L HN 0.270 nan 8.230 nan 0.000 0.473 790 D N 0.379 120.739 120.400 -0.066 0.000 2.133 790 D HA -0.176 4.477 4.640 0.021 0.000 0.195 790 D C 1.643 177.883 176.300 -0.099 0.000 0.997 790 D CA 1.509 55.398 54.000 -0.184 0.000 0.840 790 D CB -0.005 40.614 40.800 -0.301 0.000 0.947 790 D HN 0.500 nan 8.370 nan 0.000 0.452 791 N N 1.029 119.694 118.700 -0.058 0.000 2.244 791 N HA -0.109 4.644 4.740 0.021 0.000 0.183 791 N C 1.198 176.738 175.510 0.051 0.000 1.016 791 N CA 0.732 53.778 53.050 -0.007 0.000 0.866 791 N CB -0.220 38.253 38.487 -0.023 0.000 0.980 791 N HN 0.287 nan 8.380 nan 0.000 0.430 792 D N 0.469 120.915 120.400 0.076 0.000 2.224 792 D HA -0.001 4.651 4.640 0.021 0.000 0.205 792 D C 1.990 178.357 176.300 0.111 0.000 0.965 792 D CA 0.479 54.563 54.000 0.140 0.000 0.852 792 D CB 0.115 41.080 40.800 0.275 0.000 0.947 792 D HN 0.336 nan 8.370 nan 0.000 0.494 793 I N 0.211 120.830 120.570 0.082 0.000 2.339 793 I HA 0.068 4.251 4.170 0.021 0.000 0.245 793 I C 1.841 177.992 176.117 0.056 0.000 1.096 793 I CA 0.753 62.088 61.300 0.058 0.000 1.408 793 I CB -0.349 37.660 38.000 0.014 0.000 1.092 793 I HN 0.084 nan 8.210 nan 0.000 0.423 794 G N 1.091 109.935 108.800 0.074 0.000 2.531 794 G HA2 -0.317 3.655 3.960 0.021 0.000 0.274 794 G HA3 -0.317 3.655 3.960 0.021 0.000 0.274 794 G C 0.589 175.662 174.900 0.289 0.000 1.159 794 G CA 0.589 45.792 45.100 0.173 0.000 0.969 794 G HN 0.570 nan 8.290 nan 0.000 0.554 795 V N -1.923 118.116 119.914 0.208 0.000 3.444 795 V HA 0.625 4.758 4.120 0.021 0.000 0.308 795 V C 1.226 177.354 176.094 0.058 0.000 1.371 795 V CA 1.158 63.534 62.300 0.126 0.000 1.141 795 V CB 0.165 31.948 31.823 -0.067 0.000 1.037 795 V HN 1.322 nan 8.190 nan 0.000 0.433 796 S N 1.187 116.921 115.700 0.057 0.000 2.537 796 S HA 0.310 4.793 4.470 0.021 0.000 0.286 796 S C -0.085 174.537 174.600 0.038 0.000 1.299 796 S CA 0.123 58.339 58.200 0.028 0.000 1.067 796 S CB 0.434 63.646 63.200 0.021 0.000 0.864 796 S HN 0.793 nan 8.310 nan 0.000 0.494 797 E N 1.866 122.081 120.200 0.025 0.000 2.378 797 E HA 0.678 5.041 4.350 0.021 0.000 0.265 797 E C 0.615 177.232 176.600 0.029 0.000 0.932 797 E CA -0.301 56.119 56.400 0.033 0.000 0.795 797 E CB 1.311 31.027 29.700 0.027 0.000 1.296 797 E HN 0.571 nan 8.360 nan 0.000 0.438 798 A N 0.170 123.012 122.820 0.037 0.000 1.930 798 A HA -0.133 4.200 4.320 0.021 0.000 0.217 798 A C 1.799 179.398 177.584 0.024 0.000 1.175 798 A CA 2.203 54.260 52.037 0.034 0.000 0.627 798 A CB -0.834 18.191 19.000 0.041 0.000 0.815 798 A HN 0.650 nan 8.150 nan 0.000 0.443 799 T N -0.564 114.003 114.554 0.021 0.000 2.588 799 T HA -0.069 4.293 4.350 0.021 0.000 0.261 799 T C 1.248 175.950 174.700 0.004 0.000 1.069 799 T CA 1.047 63.154 62.100 0.013 0.000 1.172 799 T CB -0.126 68.748 68.868 0.010 0.000 0.863 799 T HN 0.343 nan 8.240 nan 0.000 0.408 800 R N 1.044 121.543 120.500 -0.003 0.000 2.369 800 R HA 0.389 4.741 4.340 0.021 0.000 0.310 800 R C -1.204 175.090 176.300 -0.011 0.000 1.141 800 R CA -0.439 55.653 56.100 -0.013 0.000 1.116 800 R CB -0.127 30.156 30.300 -0.028 0.000 1.135 800 R HN 0.232 nan 8.270 nan 0.000 0.529 801 I N 2.314 122.879 120.570 -0.008 0.000 2.556 801 I HA -0.085 4.098 4.170 0.021 0.000 0.284 801 I C 0.287 176.391 176.117 -0.021 0.000 1.114 801 I CA 0.395 61.691 61.300 -0.008 0.000 1.418 801 I CB 0.795 38.793 38.000 -0.003 0.000 1.394 801 I HN 0.363 nan 8.210 nan 0.000 0.552 802 D N 9.397 129.783 120.400 -0.024 0.000 2.485 802 D HA 0.292 4.945 4.640 0.021 0.000 0.221 802 D C -1.768 174.495 176.300 -0.062 0.000 1.112 802 D CA -2.284 51.692 54.000 -0.040 0.000 0.911 802 D CB 1.091 41.872 40.800 -0.031 0.000 1.019 802 D HN 0.201 nan 8.370 nan 0.000 0.516 803 P HA -0.112 nan 4.420 nan 0.000 0.226 803 P C 0.767 177.977 177.300 -0.149 0.000 1.146 803 P CA 0.701 63.746 63.100 -0.091 0.000 0.773 803 P CB 0.416 32.069 31.700 -0.077 0.000 0.772 804 N N -0.622 117.982 118.700 -0.161 0.000 2.405 804 N HA 0.073 4.825 4.740 0.021 0.000 0.175 804 N C 0.667 175.983 175.510 -0.323 0.000 1.051 804 N CA 0.079 52.983 53.050 -0.242 0.000 0.899 804 N CB -0.045 38.325 38.487 -0.195 0.000 1.000 804 N HN 0.026 nan 8.380 nan 0.000 0.451 805 A N 0.294 122.986 122.820 -0.213 0.000 2.565 805 A HA -0.058 4.275 4.320 0.021 0.000 0.237 805 A C 0.841 178.243 177.584 -0.303 0.000 1.053 805 A CA -0.153 51.773 52.037 -0.185 0.000 0.755 805 A CB -0.173 18.785 19.000 -0.071 0.000 0.980 805 A HN 0.385 nan 8.150 nan 0.000 0.506 806 W N 1.926 122.981 121.300 -0.408 0.000 2.304 806 W HA -0.221 4.451 4.660 0.021 0.000 0.315 806 W C 2.268 178.216 176.519 -0.953 0.000 1.233 806 W CA 1.924 58.753 57.345 -0.859 0.000 1.261 806 W CB -0.417 28.422 29.460 -1.034 0.000 1.150 806 W HN 0.585 nan 8.180 nan 0.000 0.494 807 V N 0.797 120.602 119.914 -0.181 0.000 2.324 807 V HA -0.308 3.825 4.120 0.021 0.000 0.250 807 V C 2.273 178.474 176.094 0.178 0.000 1.060 807 V CA 2.284 64.713 62.300 0.216 0.000 1.042 807 V CB -0.467 31.525 31.823 0.282 0.000 0.650 807 V HN 0.084 nan 8.190 nan 0.000 0.450 808 E N 0.149 120.358 120.200 0.016 0.000 2.058 808 E HA -0.211 4.152 4.350 0.021 0.000 0.194 808 E C 2.352 178.934 176.600 -0.031 0.000 0.997 808 E CA 1.572 57.972 56.400 0.000 0.000 0.801 808 E CB -0.439 29.228 29.700 -0.055 0.000 0.746 808 E HN 0.641 nan 8.360 nan 0.000 0.450 809 R N -0.307 120.093 120.500 -0.166 0.000 2.083 809 R HA -0.148 4.205 4.340 0.021 0.000 0.237 809 R C 2.343 178.590 176.300 -0.089 0.000 1.137 809 R CA 1.329 57.307 56.100 -0.204 0.000 0.951 809 R CB -0.373 29.691 30.300 -0.393 0.000 0.851 809 R HN 0.280 nan 8.270 nan 0.000 0.434 810 W N 1.703 122.971 121.300 -0.053 0.000 2.355 810 W HA -0.054 4.619 4.660 0.021 0.000 0.309 810 W C 2.136 178.605 176.519 -0.085 0.000 1.206 810 W CA 0.499 57.721 57.345 -0.205 0.000 1.284 810 W CB -0.752 28.714 29.460 0.009 0.000 1.145 810 W HN 0.105 nan 8.180 nan 0.000 0.502 811 K N 0.120 120.755 120.400 0.393 0.000 1.991 811 K HA -0.158 4.175 4.320 0.021 0.000 0.212 811 K C 2.240 178.915 176.600 0.124 0.000 1.049 811 K CA 2.138 58.619 56.287 0.324 0.000 0.932 811 K CB -0.710 31.927 32.500 0.229 0.000 0.717 811 K HN -0.014 nan 8.250 nan 0.000 0.441 812 A N 0.904 123.763 122.820 0.065 0.000 2.024 812 A HA -0.138 4.195 4.320 0.021 0.000 0.220 812 A C 2.137 179.716 177.584 -0.008 0.000 1.164 812 A CA 1.948 54.002 52.037 0.028 0.000 0.643 812 A CB -0.557 18.444 19.000 0.003 0.000 0.806 812 A HN 0.393 nan 8.150 nan 0.000 0.451 813 A N -2.310 120.468 122.820 -0.071 0.000 2.218 813 A HA 0.422 4.755 4.320 0.021 0.000 0.209 813 A C 1.812 179.275 177.584 -0.201 0.000 1.168 813 A CA 1.185 53.165 52.037 -0.095 0.000 0.804 813 A CB -0.661 18.247 19.000 -0.154 0.000 0.834 813 A HN 1.847 nan 8.150 nan 0.000 0.482 814 G N -1.555 107.021 108.800 -0.373 0.000 2.175 814 G HA2 -0.305 3.668 3.960 0.021 0.000 0.244 814 G HA3 -0.305 3.668 3.960 0.021 0.000 0.244 814 G C 0.684 175.539 174.900 -0.076 0.000 0.982 814 G CA 0.650 45.312 45.100 -0.731 0.000 0.641 814 G HN 0.705 nan 8.290 nan 0.000 0.527 815 H N -1.059 117.959 119.070 -0.086 0.000 2.357 815 H HA -0.177 4.392 4.556 0.021 0.000 0.296 815 H C 2.221 177.501 175.328 -0.079 0.000 1.108 815 H CA 1.793 57.803 56.048 -0.064 0.000 1.273 815 H CB -0.030 29.624 29.762 -0.181 0.000 1.367 815 H HN 0.599 nan 8.280 nan 0.000 0.498 816 Y N 0.686 121.105 120.300 0.198 0.000 2.509 816 Y HA -0.099 4.463 4.550 0.021 0.000 0.293 816 Y C 1.860 177.845 175.900 0.142 0.000 1.133 816 Y CA 0.647 58.830 58.100 0.137 0.000 1.283 816 Y CB 0.412 38.937 38.460 0.110 0.000 1.001 816 Y HN 0.373 nan 8.280 nan 0.000 0.555 817 Q N -0.521 119.445 119.800 0.277 0.000 2.106 817 Q HA 0.445 4.798 4.340 0.021 0.000 0.273 817 Q C -0.265 175.922 176.000 0.311 0.000 0.853 817 Q CA -0.344 55.622 55.803 0.272 0.000 1.118 817 Q CB 0.358 29.248 28.738 0.255 0.000 1.240 817 Q HN 0.139 nan 8.270 nan 0.000 0.445 818 A N 1.350 124.365 122.820 0.325 0.000 2.351 818 A HA 0.366 4.699 4.320 0.021 0.000 0.257 818 A C -0.172 177.674 177.584 0.436 0.000 1.087 818 A CA -0.151 52.121 52.037 0.393 0.000 0.798 818 A CB 0.453 19.694 19.000 0.401 0.000 1.033 818 A HN 0.402 nan 8.150 nan 0.000 0.488 819 E N 0.729 121.126 120.200 0.329 0.000 2.171 819 E HA 0.503 4.866 4.350 0.021 0.000 0.271 819 E C -0.136 176.466 176.600 0.002 0.000 0.916 819 E CA -0.637 55.885 56.400 0.204 0.000 0.774 819 E CB 1.951 31.739 29.700 0.146 0.000 1.128 819 E HN 0.774 nan 8.360 nan 0.000 0.403 820 A N 2.143 124.859 122.820 -0.173 0.000 2.386 820 A HA 0.597 4.930 4.320 0.021 0.000 0.246 820 A C -0.257 177.188 177.584 -0.231 0.000 1.089 820 A CA 0.043 51.748 52.037 -0.554 0.000 0.790 820 A CB 0.473 19.201 19.000 -0.453 0.000 1.042 820 A HN 0.640 nan 8.150 nan 0.000 0.497 821 A N 0.878 123.549 122.820 -0.248 0.000 2.466 821 A HA 0.517 4.850 4.320 0.021 0.000 0.284 821 A C -0.817 176.628 177.584 -0.232 0.000 1.049 821 A CA -0.517 51.429 52.037 -0.152 0.000 0.760 821 A CB 0.652 19.593 19.000 -0.099 0.000 1.274 821 A HN 1.024 nan 8.150 nan 0.000 0.412 822 L N 3.547 124.609 121.223 -0.270 0.000 2.534 822 L HA 0.193 4.545 4.340 0.021 0.000 0.271 822 L C 0.641 177.360 176.870 -0.253 0.000 1.178 822 L CA 0.198 54.787 54.840 -0.418 0.000 0.907 822 L CB 0.071 41.943 42.059 -0.311 0.000 1.164 822 L HN 0.835 nan 8.230 nan 0.000 0.482 823 L N 3.634 124.705 121.223 -0.253 0.000 2.425 823 L HA 0.219 4.571 4.340 0.021 0.000 0.215 823 L C 0.526 177.337 176.870 -0.098 0.000 1.065 823 L CA 0.114 54.881 54.840 -0.122 0.000 0.842 823 L CB 0.167 42.188 42.059 -0.063 0.000 1.033 823 L HN 0.741 nan 8.230 nan 0.000 0.474 824 Q N -0.555 119.166 119.800 -0.131 0.000 2.527 824 Q HA 0.378 4.731 4.340 0.021 0.000 0.280 824 Q C -1.884 174.079 176.000 -0.062 0.000 0.977 824 Q CA -0.716 55.047 55.803 -0.068 0.000 0.837 824 Q CB 2.823 31.549 28.738 -0.021 0.000 1.454 824 Q HN 0.009 nan 8.270 nan 0.000 0.387 825 C N 2.898 122.199 119.300 0.002 0.000 2.968 825 C HA 0.732 5.204 4.460 0.021 0.000 0.389 825 C C -1.248 173.825 174.990 0.138 0.000 1.068 825 C CA 0.697 59.755 59.018 0.067 0.000 1.272 825 C CB 0.560 28.348 27.740 0.080 0.000 1.711 825 C HN 0.864 nan 8.230 nan 0.000 0.501 826 T N 2.528 117.096 114.554 0.025 0.000 2.903 826 T HA 0.882 5.245 4.350 0.021 0.000 0.299 826 T C -0.474 173.995 174.700 -0.384 0.000 1.093 826 T CA -0.120 61.931 62.100 -0.081 0.000 1.002 826 T CB 1.894 70.731 68.868 -0.051 0.000 1.127 826 T HN 1.729 nan 8.240 nan 0.000 0.488 827 A N 2.026 124.480 122.820 -0.609 0.000 2.350 827 A HA 0.796 5.129 4.320 0.021 0.000 0.324 827 A C -0.939 176.428 177.584 -0.361 0.000 1.118 827 A CA -0.658 50.942 52.037 -0.728 0.000 0.783 827 A CB 1.151 19.372 19.000 -1.299 0.000 1.236 827 A HN 0.886 nan 8.150 nan 0.000 0.457 828 D N 0.357 120.590 120.400 -0.278 0.000 2.756 828 D HA 0.499 5.152 4.640 0.021 0.000 0.226 828 D C -1.131 175.085 176.300 -0.139 0.000 1.186 828 D CA 0.021 53.924 54.000 -0.162 0.000 0.845 828 D CB 2.428 43.157 40.800 -0.119 0.000 1.610 828 D HN 0.376 nan 8.370 nan 0.000 0.465 829 T N 2.029 116.529 114.554 -0.091 0.000 2.758 829 T HA 0.380 4.742 4.350 0.021 0.000 0.285 829 T C 0.015 174.682 174.700 -0.055 0.000 0.981 829 T CA -0.585 61.472 62.100 -0.071 0.000 0.965 829 T CB 0.691 69.532 68.868 -0.044 0.000 0.927 829 T HN 0.049 nan 8.240 nan 0.000 0.448 830 L N 2.173 123.360 121.223 -0.060 0.000 2.400 830 L HA 0.574 4.926 4.340 0.021 0.000 0.264 830 L C 1.801 178.649 176.870 -0.036 0.000 1.061 830 L CA -0.393 54.419 54.840 -0.047 0.000 0.799 830 L CB 0.072 42.100 42.059 -0.053 0.000 1.240 830 L HN 0.735 nan 8.230 nan 0.000 0.461 831 A N 1.321 124.125 122.820 -0.027 0.000 1.903 831 A HA -0.198 4.135 4.320 0.021 0.000 0.219 831 A C 0.975 178.546 177.584 -0.022 0.000 1.191 831 A CA 2.293 54.319 52.037 -0.019 0.000 0.638 831 A CB -0.561 18.430 19.000 -0.015 0.000 0.823 831 A HN 0.843 nan 8.150 nan 0.000 0.451 832 D N -2.695 117.686 120.400 -0.032 0.000 2.563 832 D HA 0.574 5.226 4.640 0.021 0.000 0.237 832 D C 0.016 176.280 176.300 -0.060 0.000 1.282 832 D CA 0.647 54.623 54.000 -0.040 0.000 0.816 832 D CB -0.206 40.573 40.800 -0.034 0.000 1.066 832 D HN 0.608 nan 8.370 nan 0.000 0.501 833 A N -0.551 122.227 122.820 -0.069 0.000 2.566 833 A HA 0.608 4.941 4.320 0.021 0.000 0.290 833 A C -1.647 175.872 177.584 -0.109 0.000 1.071 833 A CA -0.725 51.254 52.037 -0.096 0.000 0.658 833 A CB 1.263 20.209 19.000 -0.090 0.000 1.285 833 A HN -0.003 nan 8.150 nan 0.000 0.427 834 V N 0.431 120.257 119.914 -0.147 0.000 2.547 834 V HA 0.676 4.808 4.120 0.021 0.000 0.299 834 V C -0.823 175.158 176.094 -0.188 0.000 1.040 834 V CA -0.489 61.710 62.300 -0.169 0.000 0.913 834 V CB 1.448 33.154 31.823 -0.195 0.000 0.992 834 V HN 0.838 nan 8.190 nan 0.000 0.449 835 L N 5.651 126.757 121.223 -0.195 0.000 2.342 835 L HA 0.631 4.983 4.340 0.021 0.000 0.276 835 L C -0.839 175.879 176.870 -0.253 0.000 0.997 835 L CA -0.022 54.710 54.840 -0.180 0.000 0.838 835 L CB 1.133 43.118 42.059 -0.123 0.000 1.224 835 L HN 0.391 nan 8.230 nan 0.000 0.416 836 I N 3.627 124.033 120.570 -0.273 0.000 2.428 836 I HA 0.554 4.737 4.170 0.021 0.000 0.296 836 I C 0.251 176.315 176.117 -0.088 0.000 0.985 836 I CA -0.410 60.676 61.300 -0.356 0.000 1.260 836 I CB 1.615 39.182 38.000 -0.722 0.000 1.389 836 I HN 0.539 nan 8.210 nan 0.000 0.484 837 T N 4.285 118.794 114.554 -0.075 0.000 2.879 837 T HA 0.624 4.986 4.350 0.021 0.000 0.290 837 T C -0.023 174.724 174.700 0.079 0.000 0.993 837 T CA -0.600 61.523 62.100 0.038 0.000 0.975 837 T CB 1.677 70.542 68.868 -0.005 0.000 0.981 837 T HN 0.813 nan 8.240 nan 0.000 0.439 838 T N -0.275 114.381 114.554 0.170 0.000 2.888 838 T HA 0.930 5.293 4.350 0.021 0.000 0.288 838 T C -1.129 173.670 174.700 0.165 0.000 1.063 838 T CA -1.135 61.062 62.100 0.162 0.000 1.010 838 T CB 2.087 71.144 68.868 0.316 0.000 1.214 838 T HN 0.848 nan 8.240 nan 0.000 0.533 839 A N 1.260 124.128 122.820 0.080 0.000 2.500 839 A HA 0.678 5.011 4.320 0.021 0.000 0.291 839 A C -1.554 176.019 177.584 -0.019 0.000 1.048 839 A CA -0.798 51.324 52.037 0.142 0.000 0.791 839 A CB 0.613 19.663 19.000 0.084 0.000 1.309 839 A HN 0.964 nan 8.150 nan 0.000 0.397 840 H N 0.346 119.473 119.070 0.095 0.000 2.834 840 H HA 0.867 5.435 4.556 0.021 0.000 0.369 840 H C 0.081 175.421 175.328 0.021 0.000 1.174 840 H CA 0.003 56.000 56.048 -0.084 0.000 1.165 840 H CB 2.029 31.529 29.762 -0.436 0.000 1.820 840 H HN 1.024 nan 8.280 nan 0.000 0.558 841 A N 1.179 124.014 122.820 0.025 0.000 2.343 841 A HA 0.455 4.787 4.320 0.021 0.000 0.316 841 A C -1.329 176.292 177.584 0.061 0.000 1.104 841 A CA -0.725 51.404 52.037 0.152 0.000 0.768 841 A CB 1.081 20.142 19.000 0.100 0.000 1.213 841 A HN 0.561 nan 8.150 nan 0.000 0.456 842 W N 2.106 123.507 121.300 0.169 0.000 2.433 842 W HA 0.463 5.136 4.660 0.021 0.000 0.315 842 W C -0.262 176.252 176.519 -0.008 0.000 1.087 842 W CA -0.242 57.186 57.345 0.139 0.000 1.205 842 W CB 1.701 31.290 29.460 0.216 0.000 1.288 842 W HN 0.829 nan 8.180 nan 0.000 0.504 843 Q N 1.959 121.891 119.800 0.220 0.000 2.501 843 Q HA 0.471 4.824 4.340 0.021 0.000 0.288 843 Q C -1.244 174.882 176.000 0.209 0.000 1.051 843 Q CA -1.015 54.870 55.803 0.137 0.000 0.788 843 Q CB 3.564 32.350 28.738 0.081 0.000 1.469 843 Q HN 0.454 nan 8.270 nan 0.000 0.416 844 H N 1.506 120.605 119.070 0.048 0.000 3.149 844 H HA 0.042 4.611 4.556 0.021 0.000 0.334 844 H C -0.867 174.488 175.328 0.045 0.000 1.000 844 H CA -0.111 55.976 56.048 0.065 0.000 1.415 844 H CB 1.065 30.877 29.762 0.084 0.000 1.819 844 H HN 0.844 nan 8.280 nan 0.000 0.486 845 Q N 3.115 122.757 119.800 -0.263 0.000 2.468 845 Q HA -0.185 4.167 4.340 0.021 0.000 0.289 845 Q C 0.850 176.819 176.000 -0.051 0.000 1.299 845 Q CA 1.209 56.901 55.803 -0.186 0.000 0.838 845 Q CB -2.322 26.292 28.738 -0.208 0.000 1.195 845 Q HN 1.176 nan 8.270 nan 0.000 0.456 846 G N -0.352 108.436 108.800 -0.020 0.000 2.153 846 G HA2 -0.355 3.617 3.960 0.021 0.000 0.252 846 G HA3 -0.355 3.617 3.960 0.021 0.000 0.252 846 G C -0.016 174.894 174.900 0.018 0.000 0.994 846 G CA 0.772 45.873 45.100 0.003 0.000 0.698 846 G HN 0.466 nan 8.290 nan 0.000 0.521 847 K N 1.065 121.484 120.400 0.033 0.000 2.274 847 K HA 0.652 4.985 4.320 0.021 0.000 0.262 847 K C 0.079 176.693 176.600 0.024 0.000 0.961 847 K CA -0.398 55.909 56.287 0.034 0.000 0.833 847 K CB 0.998 33.527 32.500 0.049 0.000 1.102 847 K HN -0.015 nan 8.250 nan 0.000 0.436 848 T N 6.265 120.825 114.554 0.010 0.000 2.723 848 T HA 0.219 4.582 4.350 0.021 0.000 0.297 848 T C 1.199 175.844 174.700 -0.093 0.000 0.925 848 T CA -0.427 61.672 62.100 -0.001 0.000 1.030 848 T CB 0.310 69.199 68.868 0.035 0.000 0.905 848 T HN 0.497 nan 8.240 nan 0.000 0.502 849 L N 2.430 123.491 121.223 -0.269 0.000 2.034 849 L HA 0.265 4.617 4.340 0.021 0.000 0.203 849 L C 0.165 176.634 176.870 -0.667 0.000 1.074 849 L CA 1.195 55.627 54.840 -0.680 0.000 0.748 849 L CB -0.116 41.080 42.059 -1.439 0.000 0.905 849 L HN 0.533 nan 8.230 nan 0.000 0.439 850 F N -1.381 118.529 119.950 -0.067 0.000 2.640 850 F HA 0.617 5.157 4.527 0.021 0.000 0.324 850 F C -0.366 175.539 175.800 0.176 0.000 1.077 850 F CA -0.943 56.990 58.000 -0.111 0.000 0.965 850 F CB 1.941 40.553 39.000 -0.647 0.000 1.351 850 F HN -0.313 nan 8.300 nan 0.000 0.487 851 I N 1.220 122.049 120.570 0.431 0.000 2.534 851 I HA 0.309 4.492 4.170 0.021 0.000 0.288 851 I C -1.039 175.365 176.117 0.477 0.000 1.077 851 I CA -0.522 61.051 61.300 0.456 0.000 1.051 851 I CB 2.202 40.376 38.000 0.289 0.000 1.234 851 I HN 0.553 nan 8.210 nan 0.000 0.425 852 S N 6.809 122.898 115.700 0.648 0.000 2.449 852 S HA 0.597 5.080 4.470 0.021 0.000 0.310 852 S C -0.691 174.165 174.600 0.426 0.000 1.096 852 S CA -0.659 57.874 58.200 0.556 0.000 1.095 852 S CB 0.814 64.460 63.200 0.744 0.000 1.007 852 S HN 0.592 nan 8.310 nan 0.000 0.474 853 R N 3.761 124.430 120.500 0.281 0.000 2.388 853 R HA 0.477 4.829 4.340 0.021 0.000 0.314 853 R C -0.677 175.698 176.300 0.125 0.000 0.959 853 R CA -0.720 55.505 56.100 0.209 0.000 0.851 853 R CB 1.789 32.187 30.300 0.163 0.000 1.168 853 R HN 0.572 nan 8.270 nan 0.000 0.472 854 K N 0.777 121.256 120.400 0.131 0.000 2.346 854 K HA 0.581 4.913 4.320 0.021 0.000 0.238 854 K C -0.434 176.172 176.600 0.011 0.000 1.039 854 K CA -0.958 55.326 56.287 -0.004 0.000 0.861 854 K CB 2.188 34.639 32.500 -0.082 0.000 1.278 854 K HN 0.559 nan 8.250 nan 0.000 0.460 855 T N -1.345 113.133 114.554 -0.125 0.000 3.032 855 T HA 0.472 4.835 4.350 0.021 0.000 0.312 855 T C -1.451 173.160 174.700 -0.148 0.000 1.078 855 T CA -0.846 61.233 62.100 -0.035 0.000 1.028 855 T CB 0.278 69.134 68.868 -0.021 0.000 1.091 855 T HN 0.369 nan 8.240 nan 0.000 0.457 856 Y N 1.498 121.772 120.300 -0.044 0.000 2.352 856 Y HA 0.730 5.292 4.550 0.021 0.000 0.339 856 Y C 0.574 176.401 175.900 -0.121 0.000 0.992 856 Y CA -1.348 56.730 58.100 -0.036 0.000 1.100 856 Y CB 1.748 40.223 38.460 0.025 0.000 1.192 856 Y HN 0.822 nan 8.280 nan 0.000 0.458 857 R N 4.688 125.214 120.500 0.042 0.000 2.473 857 R HA 0.581 4.934 4.340 0.021 0.000 0.303 857 R C -1.937 174.299 176.300 -0.106 0.000 1.002 857 R CA -0.308 55.761 56.100 -0.052 0.000 0.884 857 R CB 0.636 30.910 30.300 -0.043 0.000 1.173 857 R HN 0.823 nan 8.270 nan 0.000 0.464 858 I N 4.494 124.939 120.570 -0.208 0.000 2.392 858 I HA 0.270 4.452 4.170 0.021 0.000 0.295 858 I C -0.226 175.757 176.117 -0.224 0.000 0.985 858 I CA -0.730 60.378 61.300 -0.320 0.000 1.221 858 I CB 1.583 39.211 38.000 -0.619 0.000 1.366 858 I HN 0.720 nan 8.210 nan 0.000 0.467 859 D N 3.752 124.050 120.400 -0.170 0.000 2.553 859 D HA 0.255 4.907 4.640 0.021 0.000 0.249 859 D C 1.029 177.279 176.300 -0.084 0.000 1.062 859 D CA -0.740 53.195 54.000 -0.108 0.000 1.085 859 D CB 1.095 41.854 40.800 -0.069 0.000 1.350 859 D HN 0.527 nan 8.370 nan 0.000 0.575 860 G N -0.752 108.008 108.800 -0.068 0.000 2.501 860 G HA2 -0.210 3.762 3.960 0.021 0.000 0.220 860 G HA3 -0.210 3.762 3.960 0.021 0.000 0.220 860 G C 1.039 175.922 174.900 -0.028 0.000 1.114 860 G CA 0.925 45.994 45.100 -0.051 0.000 0.757 860 G HN 0.422 nan 8.290 nan 0.000 0.559 861 S N -0.142 115.541 115.700 -0.027 0.000 2.489 861 S HA 0.291 4.774 4.470 0.021 0.000 0.228 861 S C 1.735 176.366 174.600 0.051 0.000 0.995 861 S CA 0.658 58.856 58.200 -0.004 0.000 0.934 861 S CB -0.018 63.176 63.200 -0.009 0.000 0.771 861 S HN 1.308 nan 8.310 nan 0.000 0.522 862 G N 1.592 110.434 108.800 0.070 0.000 2.256 862 G HA2 -0.227 3.746 3.960 0.021 0.000 0.272 862 G HA3 -0.227 3.746 3.960 0.021 0.000 0.272 862 G C -0.375 174.653 174.900 0.213 0.000 1.076 862 G CA -0.274 44.951 45.100 0.209 0.000 0.882 862 G HN 0.483 nan 8.290 nan 0.000 0.497 863 Q N -0.543 119.304 119.800 0.077 0.000 2.330 863 Q HA 0.633 4.986 4.340 0.021 0.000 0.269 863 Q C 0.508 176.512 176.000 0.007 0.000 1.022 863 Q CA -0.826 55.027 55.803 0.083 0.000 0.796 863 Q CB 1.427 30.199 28.738 0.056 0.000 1.271 863 Q HN 0.650 nan 8.270 nan 0.000 0.450 864 M N 0.439 120.080 119.600 0.067 0.000 2.268 864 M HA 0.801 5.293 4.480 0.021 0.000 0.344 864 M C -0.872 175.508 176.300 0.133 0.000 1.106 864 M CA -0.773 54.548 55.300 0.035 0.000 1.010 864 M CB 1.702 34.287 32.600 -0.024 0.000 1.649 864 M HN 0.446 nan 8.290 nan 0.000 0.443 865 A N 5.683 128.550 122.820 0.078 0.000 2.258 865 A HA 0.737 5.070 4.320 0.021 0.000 0.316 865 A C -0.500 177.100 177.584 0.027 0.000 1.279 865 A CA -0.815 51.266 52.037 0.074 0.000 0.876 865 A CB 0.306 19.332 19.000 0.044 0.000 1.170 865 A HN 0.942 nan 8.150 nan 0.000 0.520 866 I N 1.966 122.540 120.570 0.008 0.000 2.353 866 I HA 0.384 4.567 4.170 0.021 0.000 0.293 866 I C 0.023 176.016 176.117 -0.208 0.000 0.992 866 I CA -0.155 61.040 61.300 -0.175 0.000 1.268 866 I CB 1.760 39.677 38.000 -0.138 0.000 1.387 866 I HN 0.452 nan 8.210 nan 0.000 0.478 867 T N 5.628 120.012 114.554 -0.283 0.000 2.841 867 T HA 0.547 4.910 4.350 0.021 0.000 0.285 867 T C -0.465 174.021 174.700 -0.355 0.000 0.991 867 T CA -0.360 61.578 62.100 -0.271 0.000 0.966 867 T CB 1.894 70.698 68.868 -0.106 0.000 0.962 867 T HN 0.265 nan 8.240 nan 0.000 0.438 868 V N 3.495 123.073 119.914 -0.561 0.000 2.735 868 V HA 0.616 4.749 4.120 0.021 0.000 0.310 868 V C -0.750 175.136 176.094 -0.347 0.000 1.061 868 V CA -0.873 61.121 62.300 -0.511 0.000 0.913 868 V CB 2.274 33.547 31.823 -0.917 0.000 1.005 868 V HN 0.832 nan 8.190 nan 0.000 0.428 869 D N 2.299 122.670 120.400 -0.047 0.000 2.479 869 D HA 0.387 5.039 4.640 0.021 0.000 0.246 869 D C -1.050 175.371 176.300 0.202 0.000 1.336 869 D CA -0.037 54.040 54.000 0.128 0.000 0.967 869 D CB 2.534 43.444 40.800 0.184 0.000 1.275 869 D HN 0.271 nan 8.370 nan 0.000 0.577 870 V N 1.948 122.020 119.914 0.264 0.000 2.617 870 V HA 0.343 4.476 4.120 0.021 0.000 0.298 870 V C 0.326 176.568 176.094 0.246 0.000 1.048 870 V CA -0.492 61.978 62.300 0.284 0.000 0.964 870 V CB 2.119 34.128 31.823 0.310 0.000 1.004 870 V HN 0.409 nan 8.190 nan 0.000 0.466 871 E N 2.090 122.429 120.200 0.232 0.000 2.199 871 E HA 0.608 4.970 4.350 0.021 0.000 0.265 871 E C -1.646 175.086 176.600 0.220 0.000 0.882 871 E CA -0.453 56.062 56.400 0.191 0.000 0.759 871 E CB 2.023 31.821 29.700 0.164 0.000 1.148 871 E HN 0.516 nan 8.360 nan 0.000 0.412 872 V N 2.753 122.797 119.914 0.217 0.000 2.417 872 V HA 0.536 4.669 4.120 0.021 0.000 0.291 872 V C 0.196 176.404 176.094 0.190 0.000 1.024 872 V CA -1.018 61.440 62.300 0.263 0.000 0.861 872 V CB 1.385 33.393 31.823 0.308 0.000 0.985 872 V HN 0.839 nan 8.190 nan 0.000 0.436 873 A N 3.224 126.130 122.820 0.143 0.000 2.488 873 A HA 0.343 4.676 4.320 0.021 0.000 0.249 873 A C 1.702 179.371 177.584 0.141 0.000 1.083 873 A CA 0.577 52.675 52.037 0.102 0.000 0.768 873 A CB 0.354 19.379 19.000 0.040 0.000 1.017 873 A HN 1.344 nan 8.150 nan 0.000 0.496 874 S N 1.644 117.416 115.700 0.120 0.000 2.387 874 S HA -0.211 4.271 4.470 0.021 0.000 0.230 874 S C 1.017 175.698 174.600 0.135 0.000 1.035 874 S CA 1.846 60.126 58.200 0.134 0.000 1.014 874 S CB -0.419 62.837 63.200 0.093 0.000 0.836 874 S HN 0.843 nan 8.310 nan 0.000 0.466 875 D N 0.360 120.816 120.400 0.094 0.000 2.370 875 D HA 0.186 4.838 4.640 0.021 0.000 0.230 875 D C 0.286 176.625 176.300 0.065 0.000 1.143 875 D CA -0.046 53.994 54.000 0.066 0.000 0.834 875 D CB -0.281 40.544 40.800 0.042 0.000 0.944 875 D HN 0.301 nan 8.370 nan 0.000 0.504 876 T N 0.505 115.126 114.554 0.111 0.000 2.885 876 T HA 0.473 4.836 4.350 0.021 0.000 0.285 876 T C -2.759 172.044 174.700 0.172 0.000 1.019 876 T CA -2.109 60.080 62.100 0.148 0.000 1.010 876 T CB 1.434 70.425 68.868 0.205 0.000 1.022 876 T HN -0.213 nan 8.240 nan 0.000 0.466 877 P HA 0.115 nan 4.420 nan 0.000 0.265 877 P C -0.462 177.123 177.300 0.476 0.000 1.187 877 P CA -0.059 63.135 63.100 0.156 0.000 0.766 877 P CB 0.144 31.941 31.700 0.161 0.000 0.820 878 H N 2.920 122.363 119.070 0.622 0.000 2.848 878 H HA 0.114 4.682 4.556 0.021 0.000 0.341 878 H C -1.922 173.750 175.328 0.574 0.000 1.060 878 H CA -1.873 54.470 56.048 0.493 0.000 1.444 878 H CB -0.815 29.158 29.762 0.352 0.000 1.446 878 H HN 0.309 nan 8.280 nan 0.000 0.583 879 P HA 0.045 nan 4.420 nan 0.000 0.272 879 P C 0.405 177.602 177.300 -0.172 0.000 1.223 879 P CA -0.195 62.916 63.100 0.018 0.000 0.784 879 P CB 0.672 32.235 31.700 -0.228 0.000 0.923 880 A N 3.200 125.692 122.820 -0.548 0.000 1.968 880 A HA -0.056 4.277 4.320 0.021 0.000 0.217 880 A C 1.073 178.286 177.584 -0.619 0.000 1.169 880 A CA 1.429 53.114 52.037 -0.587 0.000 0.638 880 A CB -0.514 17.950 19.000 -0.894 0.000 0.812 880 A HN 0.753 nan 8.150 nan 0.000 0.446 881 R N -2.957 117.205 120.500 -0.564 0.000 2.741 881 R HA 0.722 5.075 4.340 0.021 0.000 0.274 881 R C -1.947 174.101 176.300 -0.420 0.000 1.029 881 R CA -0.777 55.008 56.100 -0.526 0.000 0.880 881 R CB 0.559 30.487 30.300 -0.621 0.000 1.264 881 R HN 0.029 nan 8.270 nan 0.000 0.465 882 I N 0.997 121.352 120.570 -0.358 0.000 2.586 882 I HA 0.605 4.788 4.170 0.021 0.000 0.281 882 I C -0.614 175.287 176.117 -0.360 0.000 1.145 882 I CA -0.306 60.788 61.300 -0.342 0.000 1.073 882 I CB 1.866 39.722 38.000 -0.239 0.000 1.238 882 I HN 1.024 nan 8.210 nan 0.000 0.461 883 G N 5.681 114.219 108.800 -0.436 0.000 2.500 883 G HA2 0.692 4.664 3.960 0.021 0.000 0.299 883 G HA3 0.692 4.664 3.960 0.021 0.000 0.299 883 G C -1.905 172.833 174.900 -0.271 0.000 1.242 883 G CA -0.571 44.331 45.100 -0.330 0.000 0.859 883 G HN 0.289 nan 8.290 nan 0.000 0.481 884 L N 0.767 121.878 121.223 -0.186 0.000 2.309 884 L HA 0.713 5.066 4.340 0.021 0.000 0.261 884 L C -0.519 176.249 176.870 -0.170 0.000 1.021 884 L CA -1.095 53.646 54.840 -0.166 0.000 0.823 884 L CB 2.486 44.514 42.059 -0.050 0.000 1.366 884 L HN 0.854 nan 8.230 nan 0.000 0.423 885 N N 0.153 118.779 118.700 -0.123 0.000 2.732 885 N HA 0.738 5.491 4.740 0.021 0.000 0.259 885 N C -1.300 174.222 175.510 0.020 0.000 1.402 885 N CA -0.547 52.472 53.050 -0.051 0.000 0.829 885 N CB 2.260 40.745 38.487 -0.002 0.000 1.495 885 N HN 0.914 nan 8.380 nan 0.000 0.511 886 C N -1.905 117.442 119.300 0.079 0.000 3.292 886 C HA 0.572 5.045 4.460 0.021 0.000 0.338 886 C C -1.359 173.506 174.990 -0.209 0.000 1.323 886 C CA -0.850 58.169 59.018 0.002 0.000 1.232 886 C CB 0.887 28.634 27.740 0.012 0.000 1.517 886 C HN 0.899 nan 8.230 nan 0.000 0.470 887 Q N 1.440 120.935 119.800 -0.509 0.000 2.347 887 Q HA 0.684 5.036 4.340 0.021 0.000 0.262 887 Q C -1.008 174.718 176.000 -0.456 0.000 0.980 887 Q CA -0.478 54.785 55.803 -0.899 0.000 0.867 887 Q CB 0.882 28.727 28.738 -1.490 0.000 1.242 887 Q HN 0.759 nan 8.270 nan 0.000 0.453 888 L N 2.647 123.685 121.223 -0.309 0.000 2.436 888 L HA 0.322 4.674 4.340 0.021 0.000 0.265 888 L C 1.124 177.907 176.870 -0.145 0.000 1.168 888 L CA -0.207 54.556 54.840 -0.128 0.000 0.815 888 L CB 0.813 42.899 42.059 0.045 0.000 1.109 888 L HN 0.843 nan 8.230 nan 0.000 0.462 889 A N 1.401 124.165 122.820 -0.093 0.000 1.898 889 A HA -0.031 4.301 4.320 0.021 0.000 0.214 889 A C 1.025 178.581 177.584 -0.045 0.000 1.183 889 A CA 0.545 52.527 52.037 -0.093 0.000 0.622 889 A CB -0.211 18.729 19.000 -0.100 0.000 0.824 889 A HN 0.747 nan 8.150 nan 0.000 0.444 890 Q N -1.039 118.764 119.800 0.006 0.000 2.535 890 Q HA 0.493 4.846 4.340 0.021 0.000 0.228 890 Q C -0.746 175.269 176.000 0.025 0.000 1.062 890 Q CA 0.322 56.122 55.803 -0.005 0.000 0.967 890 Q CB 0.653 29.373 28.738 -0.029 0.000 1.273 890 Q HN 0.117 nan 8.270 nan 0.000 0.554 891 V N 0.552 120.447 119.914 -0.032 0.000 2.559 891 V HA 0.680 4.812 4.120 0.021 0.000 0.289 891 V C -0.991 175.055 176.094 -0.079 0.000 1.036 891 V CA -0.663 61.656 62.300 0.031 0.000 0.887 891 V CB 1.504 33.347 31.823 0.032 0.000 1.022 891 V HN 0.826 nan 8.190 nan 0.000 0.442 892 A N 2.903 125.607 122.820 -0.194 0.000 2.299 892 A HA 0.752 5.084 4.320 0.021 0.000 0.332 892 A C 0.788 178.407 177.584 0.058 0.000 1.131 892 A CA -0.325 51.580 52.037 -0.220 0.000 0.844 892 A CB 1.477 20.116 19.000 -0.601 0.000 1.251 892 A HN 0.832 nan 8.150 nan 0.000 0.486 893 E N -0.344 119.882 120.200 0.043 0.000 2.230 893 E HA 0.005 4.368 4.350 0.021 0.000 0.192 893 E C 0.274 176.959 176.600 0.143 0.000 0.987 893 E CA 0.519 56.972 56.400 0.088 0.000 0.841 893 E CB 0.170 29.898 29.700 0.046 0.000 0.783 893 E HN 0.547 nan 8.360 nan 0.000 0.481 894 R N -0.293 120.308 120.500 0.169 0.000 2.912 894 R HA 0.541 4.894 4.340 0.021 0.000 0.262 894 R C -1.149 175.348 176.300 0.329 0.000 1.057 894 R CA -0.859 55.368 56.100 0.211 0.000 0.981 894 R CB 2.383 32.773 30.300 0.150 0.000 1.201 894 R HN -0.150 nan 8.270 nan 0.000 0.484 895 V N 1.528 121.637 119.914 0.324 0.000 2.638 895 V HA 0.373 4.505 4.120 0.021 0.000 0.306 895 V C -0.646 175.710 176.094 0.435 0.000 1.052 895 V CA -0.960 61.568 62.300 0.380 0.000 0.885 895 V CB 2.025 34.025 31.823 0.295 0.000 0.999 895 V HN 0.706 nan 8.190 nan 0.000 0.424 896 N N 3.796 122.742 118.700 0.409 0.000 2.295 896 N HA 0.561 5.313 4.740 0.021 0.000 0.293 896 N C -1.459 174.317 175.510 0.443 0.000 1.040 896 N CA -0.469 52.795 53.050 0.357 0.000 0.840 896 N CB 2.876 41.462 38.487 0.166 0.000 1.468 896 N HN 0.833 nan 8.380 nan 0.000 0.478 897 W N 3.048 124.398 121.300 0.084 0.000 3.137 897 W HA 0.592 5.265 4.660 0.021 0.000 0.324 897 W C -2.077 174.429 176.519 -0.022 0.000 1.253 897 W CA -1.127 56.249 57.345 0.051 0.000 1.183 897 W CB 0.719 30.244 29.460 0.108 0.000 1.424 897 W HN 0.263 nan 8.180 nan 0.000 0.566 898 L N 4.204 125.421 121.223 -0.010 0.000 2.301 898 L HA 0.912 5.264 4.340 0.021 0.000 0.278 898 L C -0.027 176.719 176.870 -0.207 0.000 1.022 898 L CA 0.459 55.100 54.840 -0.331 0.000 0.854 898 L CB 0.620 42.546 42.059 -0.223 0.000 1.226 898 L HN 1.005 nan 8.230 nan 0.000 0.429 899 G N 3.772 112.375 108.800 -0.329 0.000 2.435 899 G HA2 0.228 4.201 3.960 0.021 0.000 0.228 899 G HA3 0.228 4.201 3.960 0.021 0.000 0.228 899 G C -1.546 173.492 174.900 0.229 0.000 1.198 899 G CA -0.951 44.185 45.100 0.061 0.000 0.948 899 G HN 0.415 nan 8.290 nan 0.000 0.487 900 L N 1.174 122.614 121.223 0.362 0.000 2.349 900 L HA 0.672 5.024 4.340 0.021 0.000 0.275 900 L C 0.973 177.909 176.870 0.110 0.000 1.115 900 L CA 0.442 55.413 54.840 0.219 0.000 0.820 900 L CB 0.741 42.853 42.059 0.089 0.000 1.135 900 L HN 1.158 nan 8.230 nan 0.000 0.445 901 G N 2.508 111.116 108.800 -0.319 0.000 2.348 901 G HA2 0.237 4.210 3.960 0.021 0.000 0.296 901 G HA3 0.237 4.210 3.960 0.021 0.000 0.296 901 G C -2.736 171.333 174.900 -1.385 0.000 1.258 901 G CA -0.259 44.352 45.100 -0.816 0.000 0.868 901 G HN 0.298 nan 8.290 nan 0.000 0.488 902 P HA 0.056 nan 4.420 nan 0.000 0.222 902 P C 0.477 177.571 177.300 -0.342 0.000 1.153 902 P CA 0.873 63.314 63.100 -1.098 0.000 0.798 902 P CB 0.030 31.306 31.700 -0.707 0.000 0.796 903 Q N 0.585 120.183 119.800 -0.336 0.000 2.382 903 Q HA 0.186 4.539 4.340 0.021 0.000 0.229 903 Q C 0.377 176.249 176.000 -0.213 0.000 1.006 903 Q CA -0.683 54.994 55.803 -0.210 0.000 0.916 903 Q CB -0.079 28.559 28.738 -0.167 0.000 1.235 903 Q HN 0.108 nan 8.270 nan 0.000 0.512 904 E N 1.048 121.133 120.200 -0.191 0.000 2.558 904 E HA -0.096 4.266 4.350 0.021 0.000 0.255 904 E C -1.116 175.388 176.600 -0.160 0.000 0.968 904 E CA 0.214 56.491 56.400 -0.206 0.000 0.939 904 E CB 0.118 29.760 29.700 -0.097 0.000 0.921 904 E HN 0.724 nan 8.360 nan 0.000 0.477 905 N N 3.116 121.634 118.700 -0.303 0.000 2.336 905 N HA 0.291 5.043 4.740 0.021 0.000 0.290 905 N C -1.801 173.446 175.510 -0.438 0.000 1.058 905 N CA -0.679 52.240 53.050 -0.219 0.000 0.865 905 N CB 0.771 39.157 38.487 -0.169 0.000 1.581 905 N HN 0.210 nan 8.380 nan 0.000 0.480 906 Y N 0.635 120.832 120.300 -0.172 0.000 2.631 906 Y HA 0.526 5.088 4.550 0.021 0.000 0.328 906 Y C -1.524 174.279 175.900 -0.163 0.000 1.118 906 Y CA -2.154 55.831 58.100 -0.191 0.000 1.206 906 Y CB 1.328 39.680 38.460 -0.180 0.000 1.337 906 Y HN 0.435 nan 8.280 nan 0.000 0.515 907 P HA -0.120 nan 4.420 nan 0.000 0.217 907 P C 0.218 177.329 177.300 -0.316 0.000 1.150 907 P CA 1.850 64.907 63.100 -0.073 0.000 0.832 907 P CB 0.197 31.926 31.700 0.049 0.000 0.787 908 D N -2.030 118.031 120.400 -0.565 0.000 2.388 908 D HA 0.039 4.692 4.640 0.021 0.000 0.221 908 D C 0.610 176.757 176.300 -0.254 0.000 1.133 908 D CA -0.072 53.422 54.000 -0.843 0.000 0.831 908 D CB -0.198 39.807 40.800 -1.325 0.000 0.962 908 D HN 0.091 nan 8.370 nan 0.000 0.502 909 R N 1.036 121.469 120.500 -0.111 0.000 2.640 909 R HA 0.177 4.530 4.340 0.021 0.000 0.240 909 R C -0.644 175.673 176.300 0.028 0.000 1.519 909 R CA -0.106 55.997 56.100 0.005 0.000 1.570 909 R CB 0.104 30.419 30.300 0.026 0.000 1.446 909 R HN 0.100 nan 8.270 nan 0.000 0.738 910 L N -2.201 119.043 121.223 0.035 0.000 3.386 910 L HA 0.318 4.670 4.340 0.021 0.000 0.307 910 L C 1.416 178.334 176.870 0.081 0.000 1.235 910 L CA 0.080 54.942 54.840 0.036 0.000 1.056 910 L CB 0.119 42.180 42.059 0.003 0.000 1.453 910 L HN 0.059 nan 8.230 nan 0.000 0.615 911 T N -2.265 112.365 114.554 0.127 0.000 2.881 911 T HA -0.046 4.317 4.350 0.021 0.000 0.270 911 T C 1.703 176.503 174.700 0.165 0.000 1.068 911 T CA 1.367 63.573 62.100 0.176 0.000 1.131 911 T CB -0.309 68.701 68.868 0.236 0.000 0.871 911 T HN 0.410 nan 8.240 nan 0.000 0.479 912 A N 1.089 124.009 122.820 0.167 0.000 2.206 912 A HA 0.683 5.016 4.320 0.021 0.000 0.211 912 A C 1.449 179.130 177.584 0.161 0.000 1.158 912 A CA 0.374 52.470 52.037 0.098 0.000 0.761 912 A CB -0.730 18.415 19.000 0.242 0.000 0.801 912 A HN 0.834 nan 8.150 nan 0.000 0.473 913 A N -1.136 121.723 122.820 0.065 0.000 2.302 913 A HA 0.528 4.861 4.320 0.021 0.000 0.285 913 A C -0.150 177.446 177.584 0.020 0.000 1.105 913 A CA -0.296 51.732 52.037 -0.015 0.000 0.816 913 A CB 0.230 19.194 19.000 -0.060 0.000 1.067 913 A HN 0.410 nan 8.150 nan 0.000 0.489 914 C N 0.506 119.799 119.300 -0.012 0.000 2.493 914 C HA 0.564 5.036 4.460 0.021 0.000 0.326 914 C C -0.174 174.932 174.990 0.195 0.000 1.200 914 C CA -0.489 58.577 59.018 0.081 0.000 1.739 914 C CB 0.657 28.449 27.740 0.086 0.000 2.300 914 C HN 0.775 nan 8.230 nan 0.000 0.500 915 F N 3.771 123.585 119.950 -0.226 0.000 2.445 915 F HA 0.520 5.059 4.527 0.021 0.000 0.359 915 F C 0.350 175.889 175.800 -0.434 0.000 1.101 915 F CA 1.159 58.921 58.000 -0.397 0.000 1.177 915 F CB 0.017 38.330 39.000 -1.145 0.000 1.110 915 F HN 0.654 nan 8.300 nan 0.000 0.522 916 D N 3.346 123.138 120.400 -1.014 0.000 2.918 916 D HA 0.125 4.778 4.640 0.021 0.000 0.342 916 D C -1.667 173.689 176.300 -1.575 0.000 1.403 916 D CA -0.755 52.506 54.000 -1.233 0.000 0.776 916 D CB 1.209 41.271 40.800 -1.231 0.000 1.365 916 D HN 0.552 nan 8.370 nan 0.000 0.468 917 R N 0.801 120.437 120.500 -1.439 0.000 2.207 917 R HA 0.537 4.889 4.340 0.021 0.000 0.334 917 R C -1.194 174.253 176.300 -1.422 0.000 1.013 917 R CA -0.334 55.069 56.100 -1.163 0.000 0.858 917 R CB 0.382 30.276 30.300 -0.677 0.000 1.094 917 R HN 0.263 nan 8.270 nan 0.000 0.457 918 W N 2.812 123.546 121.300 -0.945 0.000 2.689 918 W HA 0.387 5.060 4.660 0.021 0.000 0.340 918 W C -0.455 175.682 176.519 -0.637 0.000 1.060 918 W CA -0.676 56.092 57.345 -0.962 0.000 1.218 918 W CB 1.588 29.974 29.460 -1.791 0.000 1.410 918 W HN 0.358 nan 8.180 nan 0.000 0.528 919 D N 2.975 123.320 120.400 -0.092 0.000 2.686 919 D HA 0.552 5.205 4.640 0.021 0.000 0.249 919 D C -1.371 175.021 176.300 0.153 0.000 1.260 919 D CA -0.148 53.889 54.000 0.062 0.000 0.910 919 D CB 1.144 41.948 40.800 0.006 0.000 1.323 919 D HN 0.430 nan 8.370 nan 0.000 0.561 920 L N 2.743 124.128 121.223 0.270 0.000 2.409 920 L HA 0.528 4.881 4.340 0.021 0.000 0.255 920 L C -2.493 174.501 176.870 0.208 0.000 1.027 920 L CA -2.183 52.792 54.840 0.225 0.000 0.834 920 L CB 2.589 44.805 42.059 0.261 0.000 1.426 920 L HN 0.164 nan 8.230 nan 0.000 0.411 921 P HA 0.073 nan 4.420 nan 0.000 0.271 921 P C 0.502 177.884 177.300 0.138 0.000 1.216 921 P CA -0.342 62.837 63.100 0.132 0.000 0.776 921 P CB 0.862 32.619 31.700 0.095 0.000 0.881 922 L N 3.876 125.187 121.223 0.146 0.000 2.051 922 L HA -0.265 4.088 4.340 0.021 0.000 0.214 922 L C 2.351 179.279 176.870 0.098 0.000 1.076 922 L CA 2.728 57.642 54.840 0.124 0.000 0.758 922 L CB -1.547 40.601 42.059 0.148 0.000 0.890 922 L HN 0.483 nan 8.230 nan 0.000 0.433 923 S N -1.377 114.382 115.700 0.099 0.000 2.402 923 S HA -0.221 4.261 4.470 0.021 0.000 0.233 923 S C 1.618 176.286 174.600 0.114 0.000 1.030 923 S CA 1.561 59.826 58.200 0.109 0.000 1.003 923 S CB -0.715 62.537 63.200 0.088 0.000 0.813 923 S HN 0.586 nan 8.310 nan 0.000 0.477 924 D N 1.049 121.499 120.400 0.083 0.000 2.347 924 D HA 0.114 4.767 4.640 0.021 0.000 0.215 924 D C 1.336 177.646 176.300 0.017 0.000 0.976 924 D CA 0.579 54.608 54.000 0.048 0.000 0.884 924 D CB -0.117 40.716 40.800 0.055 0.000 0.915 924 D HN 0.487 nan 8.370 nan 0.000 0.526 925 M N -0.320 119.300 119.600 0.033 0.000 2.568 925 M HA 0.089 4.582 4.480 0.021 0.000 0.226 925 M C -0.144 176.169 176.300 0.022 0.000 1.148 925 M CA -0.001 55.277 55.300 -0.037 0.000 1.007 925 M CB -0.757 31.800 32.600 -0.072 0.000 1.651 925 M HN -0.056 nan 8.290 nan 0.000 0.488 926 Y N 0.212 120.472 120.300 -0.067 0.000 2.391 926 Y HA 0.475 5.038 4.550 0.021 0.000 0.341 926 Y C -0.863 174.963 175.900 -0.124 0.000 0.965 926 Y CA -0.828 57.238 58.100 -0.057 0.000 1.067 926 Y CB 1.462 39.952 38.460 0.049 0.000 1.199 926 Y HN -0.098 nan 8.280 nan 0.000 0.450 927 T N 8.949 123.009 114.554 -0.822 0.000 2.770 927 T HA 0.270 4.632 4.350 0.021 0.000 0.297 927 T C -2.628 171.236 174.700 -1.394 0.000 0.997 927 T CA -1.504 59.999 62.100 -0.994 0.000 0.949 927 T CB 0.947 69.302 68.868 -0.856 0.000 0.941 927 T HN 0.448 nan 8.240 nan 0.000 0.457 928 P HA 0.083 nan 4.420 nan 0.000 0.238 928 P C -0.593 176.555 177.300 -0.254 0.000 1.714 928 P CA -0.374 62.295 63.100 -0.718 0.000 0.908 928 P CB -0.876 30.568 31.700 -0.427 0.000 1.893 929 Y N -0.298 119.898 120.300 -0.174 0.000 2.729 929 Y HA -0.092 4.470 4.550 0.021 0.000 0.331 929 Y C 2.227 178.158 175.900 0.051 0.000 1.208 929 Y CA -0.608 57.463 58.100 -0.049 0.000 1.521 929 Y CB 0.419 38.802 38.460 -0.128 0.000 1.233 929 Y HN -0.110 nan 8.280 nan 0.000 0.539 930 V N 4.098 124.213 119.914 0.334 0.000 2.370 930 V HA -0.336 3.797 4.120 0.021 0.000 0.252 930 V C 0.640 176.899 176.094 0.276 0.000 1.068 930 V CA 1.617 64.099 62.300 0.302 0.000 1.061 930 V CB -0.643 31.395 31.823 0.360 0.000 0.656 930 V HN 0.631 nan 8.190 nan 0.000 0.455 931 F N 3.395 123.395 119.950 0.085 0.000 2.303 931 F HA 0.513 5.053 4.527 0.021 0.000 0.368 931 F C -2.332 173.472 175.800 0.007 0.000 1.105 931 F CA -3.380 54.626 58.000 0.009 0.000 1.153 931 F CB 0.617 39.536 39.000 -0.136 0.000 1.362 931 F HN 0.000 nan 8.300 nan 0.000 0.511 932 P HA 0.129 nan 4.420 nan 0.000 0.265 932 P C -0.814 176.220 177.300 -0.444 0.000 1.187 932 P CA 0.294 63.185 63.100 -0.349 0.000 0.766 932 P CB 1.112 32.627 31.700 -0.308 0.000 0.820 933 S N 0.171 115.785 115.700 -0.143 0.000 2.661 933 S HA 0.414 4.897 4.470 0.021 0.000 0.268 933 S C -0.885 173.717 174.600 0.003 0.000 1.162 933 S CA -0.995 57.165 58.200 -0.067 0.000 0.817 933 S CB 0.522 63.722 63.200 0.000 0.000 1.141 933 S HN 0.365 nan 8.310 nan 0.000 0.477 934 E N 1.129 121.339 120.200 0.016 0.000 2.529 934 E HA 0.366 4.728 4.350 0.021 0.000 0.259 934 E C -0.113 176.541 176.600 0.090 0.000 0.966 934 E CA 0.862 57.293 56.400 0.052 0.000 0.937 934 E CB -0.244 29.508 29.700 0.086 0.000 0.923 934 E HN 0.795 nan 8.360 nan 0.000 0.468 935 N N 1.555 120.335 118.700 0.133 0.000 3.116 935 N HA 0.508 5.260 4.740 0.021 0.000 0.244 935 N C 0.269 175.823 175.510 0.074 0.000 1.485 935 N CA -0.592 52.573 53.050 0.192 0.000 0.884 935 N CB 0.849 39.437 38.487 0.167 0.000 1.415 935 N HN 0.685 nan 8.380 nan 0.000 0.524 936 G N -1.309 107.497 108.800 0.009 0.000 2.179 936 G HA2 -0.272 3.700 3.960 0.021 0.000 0.260 936 G HA3 -0.272 3.700 3.960 0.021 0.000 0.260 936 G C -0.130 174.517 174.900 -0.422 0.000 0.977 936 G CA 0.361 45.349 45.100 -0.185 0.000 0.641 936 G HN 0.687 nan 8.290 nan 0.000 0.533 937 L N 1.225 122.132 121.223 -0.527 0.000 2.529 937 L HA 0.401 4.753 4.340 0.021 0.000 0.287 937 L C 0.891 177.184 176.870 -0.962 0.000 1.241 937 L CA 0.661 54.944 54.840 -0.927 0.000 0.857 937 L CB 0.353 41.549 42.059 -1.439 0.000 1.113 937 L HN 0.344 nan 8.230 nan 0.000 0.504 938 R N 3.815 123.665 120.500 -1.083 0.000 2.502 938 R HA 0.440 4.793 4.340 0.021 0.000 0.300 938 R C -1.036 174.884 176.300 -0.634 0.000 0.984 938 R CA -0.702 54.874 56.100 -0.873 0.000 0.882 938 R CB 0.749 30.497 30.300 -0.919 0.000 1.180 938 R HN 0.576 nan 8.270 nan 0.000 0.444 939 C N -0.091 118.976 119.300 -0.389 0.000 2.352 939 C HA 0.626 5.098 4.460 0.021 0.000 0.387 939 C C 1.570 176.510 174.990 -0.084 0.000 1.294 939 C CA 0.268 59.142 59.018 -0.240 0.000 2.137 939 C CB 0.731 28.357 27.740 -0.189 0.000 2.146 939 C HN 1.074 nan 8.230 nan 0.000 0.559 940 G N 1.602 110.368 108.800 -0.056 0.000 2.341 940 G HA2 -0.195 3.778 3.960 0.021 0.000 0.292 940 G HA3 -0.195 3.778 3.960 0.021 0.000 0.292 940 G C -0.020 174.917 174.900 0.061 0.000 1.021 940 G CA 0.604 45.724 45.100 0.033 0.000 0.905 940 G HN 0.826 nan 8.290 nan 0.000 0.508 941 T N -0.519 113.931 114.554 -0.173 0.000 2.869 941 T HA 0.449 4.811 4.350 0.021 0.000 0.295 941 T C 1.575 175.993 174.700 -0.469 0.000 0.987 941 T CA -0.220 61.727 62.100 -0.256 0.000 1.109 941 T CB 1.303 69.977 68.868 -0.324 0.000 0.932 941 T HN 0.375 nan 8.240 nan 0.000 0.518 942 R N 1.099 121.545 120.500 -0.090 0.000 2.279 942 R HA 0.233 4.585 4.340 0.021 0.000 0.195 942 R C 0.441 176.829 176.300 0.148 0.000 0.905 942 R CA 0.174 56.305 56.100 0.051 0.000 1.044 942 R CB 0.772 31.209 30.300 0.229 0.000 1.056 942 R HN 0.695 nan 8.270 nan 0.000 0.535 943 E N 0.849 121.138 120.200 0.148 0.000 2.388 943 E HA 0.246 4.608 4.350 0.021 0.000 0.289 943 E C -2.082 174.680 176.600 0.270 0.000 0.944 943 E CA -0.606 55.945 56.400 0.251 0.000 0.792 943 E CB 1.594 31.401 29.700 0.177 0.000 1.239 943 E HN -0.067 nan 8.360 nan 0.000 0.412 944 L N 3.753 125.181 121.223 0.341 0.000 2.408 944 L HA 0.654 5.007 4.340 0.021 0.000 0.268 944 L C -1.913 175.178 176.870 0.369 0.000 0.986 944 L CA -0.375 54.611 54.840 0.243 0.000 0.820 944 L CB 2.046 44.067 42.059 -0.063 0.000 1.303 944 L HN 0.537 nan 8.230 nan 0.000 0.411 945 N N 4.019 122.907 118.700 0.313 0.000 2.399 945 N HA 0.398 5.151 4.740 0.021 0.000 0.284 945 N C -2.075 173.684 175.510 0.415 0.000 1.025 945 N CA -0.240 53.003 53.050 0.322 0.000 0.885 945 N CB 2.129 40.737 38.487 0.203 0.000 1.339 945 N HN 0.609 nan 8.380 nan 0.000 0.487 946 Y N 1.232 121.712 120.300 0.300 0.000 2.362 946 Y HA 0.412 4.975 4.550 0.021 0.000 0.326 946 Y C 0.763 176.804 175.900 0.236 0.000 1.083 946 Y CA 0.119 58.378 58.100 0.266 0.000 1.073 946 Y CB 0.836 39.489 38.460 0.321 0.000 1.211 946 Y HN 0.826 nan 8.280 nan 0.000 0.433 947 G N 6.411 115.132 108.800 -0.131 0.000 2.622 947 G HA2 -0.310 3.662 3.960 0.021 0.000 0.307 947 G HA3 -0.310 3.662 3.960 0.021 0.000 0.307 947 G C -1.725 173.109 174.900 -0.110 0.000 1.226 947 G CA 0.281 45.275 45.100 -0.177 0.000 0.997 947 G HN 0.587 nan 8.290 nan 0.000 0.551 948 P HA 0.205 nan 4.420 nan 0.000 0.255 948 P C 0.116 177.135 177.300 -0.467 0.000 1.248 948 P CA 0.633 63.534 63.100 -0.332 0.000 0.807 948 P CB -0.016 31.410 31.700 -0.455 0.000 1.150 949 H N 0.040 119.054 119.070 -0.093 0.000 2.502 949 H HA 0.548 5.117 4.556 0.021 0.000 0.338 949 H C 0.219 175.288 175.328 -0.432 0.000 1.155 949 H CA -0.397 55.448 56.048 -0.337 0.000 1.237 949 H CB 1.295 30.640 29.762 -0.696 0.000 1.534 949 H HN -0.082 nan 8.280 nan 0.000 0.523 950 Q N 2.860 122.390 119.800 -0.449 0.000 2.271 950 Q HA 0.233 4.586 4.340 0.021 0.000 0.268 950 Q C -1.859 173.954 176.000 -0.311 0.000 1.021 950 Q CA -0.759 54.916 55.803 -0.214 0.000 0.802 950 Q CB 1.668 30.403 28.738 -0.006 0.000 1.282 950 Q HN 0.622 nan 8.270 nan 0.000 0.431 951 W N 3.805 125.082 121.300 -0.039 0.000 2.666 951 W HA 0.615 5.287 4.660 0.021 0.000 0.334 951 W C -0.153 176.427 176.519 0.102 0.000 1.051 951 W CA -0.890 56.397 57.345 -0.097 0.000 1.224 951 W CB 2.079 31.298 29.460 -0.403 0.000 1.405 951 W HN 0.546 nan 8.180 nan 0.000 0.513 952 R N 0.818 121.542 120.500 0.374 0.000 2.686 952 R HA 0.760 5.113 4.340 0.021 0.000 0.283 952 R C 0.074 176.623 176.300 0.416 0.000 0.978 952 R CA -0.582 55.754 56.100 0.394 0.000 0.897 952 R CB 2.340 32.794 30.300 0.256 0.000 1.192 952 R HN 0.772 nan 8.270 nan 0.000 0.457 953 G N 0.950 110.031 108.800 0.469 0.000 2.491 953 G HA2 -0.051 3.922 3.960 0.021 0.000 0.183 953 G HA3 -0.051 3.922 3.960 0.021 0.000 0.183 953 G C -1.835 173.253 174.900 0.312 0.000 1.221 953 G CA -0.508 44.832 45.100 0.399 0.000 0.996 953 G HN 0.479 nan 8.290 nan 0.000 0.474 954 D N 0.579 121.162 120.400 0.305 0.000 2.420 954 D HA 0.631 5.284 4.640 0.021 0.000 0.255 954 D C -0.928 175.438 176.300 0.110 0.000 1.185 954 D CA -0.262 53.803 54.000 0.107 0.000 0.904 954 D CB 0.729 41.577 40.800 0.081 0.000 1.102 954 D HN 0.524 nan 8.370 nan 0.000 0.534 955 F N 0.198 120.133 119.950 -0.025 0.000 2.779 955 F HA 0.541 5.080 4.527 0.021 0.000 0.316 955 F C -1.286 174.463 175.800 -0.084 0.000 1.164 955 F CA -1.087 56.834 58.000 -0.132 0.000 0.924 955 F CB 0.754 39.670 39.000 -0.139 0.000 1.348 955 F HN -0.157 nan 8.300 nan 0.000 0.467 956 Q N 1.810 121.636 119.800 0.044 0.000 2.301 956 Q HA 0.682 5.034 4.340 0.021 0.000 0.267 956 Q C -1.135 174.944 176.000 0.131 0.000 1.035 956 Q CA -0.543 55.215 55.803 -0.075 0.000 0.856 956 Q CB 2.609 31.218 28.738 -0.215 0.000 1.337 956 Q HN 0.859 nan 8.270 nan 0.000 0.450 957 F N -1.132 118.705 119.950 -0.188 0.000 2.711 957 F HA 0.772 5.312 4.527 0.021 0.000 0.313 957 F C -1.592 173.999 175.800 -0.349 0.000 1.141 957 F CA -1.070 56.798 58.000 -0.220 0.000 0.941 957 F CB 1.740 40.657 39.000 -0.139 0.000 1.349 957 F HN 0.598 nan 8.300 nan 0.000 0.464 958 N N 1.184 119.759 118.700 -0.209 0.000 2.484 958 N HA 0.665 5.418 4.740 0.021 0.000 0.269 958 N C -2.273 173.208 175.510 -0.048 0.000 1.237 958 N CA -0.677 52.195 53.050 -0.296 0.000 0.838 958 N CB 2.422 40.713 38.487 -0.326 0.000 1.593 958 N HN 1.170 nan 8.380 nan 0.000 0.485 959 I N 0.822 121.349 120.570 -0.072 0.000 2.627 959 I HA 0.661 4.844 4.170 0.021 0.000 0.288 959 I C -1.358 174.717 176.117 -0.071 0.000 1.202 959 I CA 0.067 61.311 61.300 -0.093 0.000 1.050 959 I CB 1.175 39.065 38.000 -0.184 0.000 1.264 959 I HN 1.035 nan 8.210 nan 0.000 0.429 960 S N 6.415 122.105 115.700 -0.017 0.000 2.929 960 S HA 0.593 5.076 4.470 0.021 0.000 0.311 960 S C -0.264 174.300 174.600 -0.059 0.000 1.213 960 S CA -0.962 57.235 58.200 -0.006 0.000 0.908 960 S CB 1.661 64.945 63.200 0.139 0.000 1.287 960 S HN 0.619 nan 8.310 nan 0.000 0.594 961 R N 0.144 120.447 120.500 -0.330 0.000 2.609 961 R HA 0.330 4.682 4.340 0.021 0.000 0.326 961 R C -1.280 174.614 176.300 -0.677 0.000 1.090 961 R CA 0.116 55.942 56.100 -0.458 0.000 1.072 961 R CB -0.759 29.148 30.300 -0.656 0.000 1.330 961 R HN 0.629 nan 8.270 nan 0.000 0.572 962 Y N -0.075 120.258 120.300 0.056 0.000 2.373 962 Y HA 0.215 4.777 4.550 0.021 0.000 0.336 962 Y C 0.641 176.297 175.900 -0.406 0.000 0.979 962 Y CA -1.119 56.917 58.100 -0.107 0.000 1.080 962 Y CB 1.543 39.896 38.460 -0.179 0.000 1.190 962 Y HN -0.053 nan 8.280 nan 0.000 0.446 963 S N 1.638 116.991 115.700 -0.578 0.000 2.593 963 S HA 0.059 4.542 4.470 0.021 0.000 0.269 963 S C 0.938 175.219 174.600 -0.532 0.000 1.334 963 S CA -0.659 56.831 58.200 -1.184 0.000 1.015 963 S CB 1.128 63.712 63.200 -1.028 0.000 0.912 963 S HN 0.757 nan 8.310 nan 0.000 0.541 964 Q N 0.659 120.147 119.800 -0.520 0.000 2.096 964 Q HA -0.213 4.140 4.340 0.021 0.000 0.204 964 Q C 2.221 178.102 176.000 -0.199 0.000 0.982 964 Q CA 1.907 57.551 55.803 -0.265 0.000 0.850 964 Q CB -0.534 28.080 28.738 -0.207 0.000 0.901 964 Q HN 0.916 nan 8.270 nan 0.000 0.422 965 Q N 0.450 120.115 119.800 -0.226 0.000 2.061 965 Q HA -0.214 4.139 4.340 0.021 0.000 0.204 965 Q C 2.143 178.066 176.000 -0.128 0.000 0.984 965 Q CA 1.405 57.123 55.803 -0.141 0.000 0.846 965 Q CB 0.012 28.684 28.738 -0.109 0.000 0.902 965 Q HN 0.400 nan 8.270 nan 0.000 0.421 966 Q N 0.060 119.775 119.800 -0.141 0.000 2.096 966 Q HA -0.183 4.169 4.340 0.021 0.000 0.204 966 Q C 2.199 178.118 176.000 -0.135 0.000 0.982 966 Q CA 1.171 56.916 55.803 -0.097 0.000 0.850 966 Q CB -0.064 28.655 28.738 -0.031 0.000 0.901 966 Q HN 0.442 nan 8.270 nan 0.000 0.422 967 L N -0.053 121.078 121.223 -0.153 0.000 2.017 967 L HA -0.216 4.136 4.340 0.021 0.000 0.208 967 L C 2.684 179.428 176.870 -0.210 0.000 1.073 967 L CA 1.248 55.976 54.840 -0.187 0.000 0.745 967 L CB -0.376 41.598 42.059 -0.142 0.000 0.894 967 L HN 0.386 nan 8.230 nan 0.000 0.432 968 M N 0.056 119.562 119.600 -0.156 0.000 2.279 968 M HA -0.207 4.285 4.480 0.021 0.000 0.264 968 M C 1.552 177.773 176.300 -0.131 0.000 1.062 968 M CA 1.750 56.970 55.300 -0.135 0.000 1.099 968 M CB 0.046 32.581 32.600 -0.110 0.000 1.394 968 M HN 0.256 nan 8.290 nan 0.000 0.426 969 E N -1.559 118.566 120.200 -0.125 0.000 2.481 969 E HA 0.117 4.479 4.350 0.021 0.000 0.198 969 E C -0.325 176.214 176.600 -0.102 0.000 1.027 969 E CA 0.004 56.349 56.400 -0.092 0.000 0.900 969 E CB 0.222 29.885 29.700 -0.061 0.000 0.993 969 E HN 0.203 nan 8.360 nan 0.000 0.482 970 T N 0.949 115.406 114.554 -0.162 0.000 2.758 970 T HA 0.142 4.505 4.350 0.021 0.000 0.285 970 T C 1.057 175.645 174.700 -0.186 0.000 0.981 970 T CA -0.450 61.548 62.100 -0.170 0.000 0.965 970 T CB 1.640 70.376 68.868 -0.220 0.000 0.927 970 T HN 0.149 nan 8.240 nan 0.000 0.448 971 S N 2.275 117.967 115.700 -0.014 0.000 2.406 971 S HA -0.034 4.449 4.470 0.021 0.000 0.228 971 S C 0.401 175.111 174.600 0.183 0.000 1.020 971 S CA 0.663 58.964 58.200 0.169 0.000 0.965 971 S CB -0.322 63.106 63.200 0.381 0.000 0.798 971 S HN 0.763 nan 8.310 nan 0.000 0.488 972 H N 0.094 119.125 119.070 -0.065 0.000 2.821 972 H HA 0.559 5.128 4.556 0.021 0.000 0.373 972 H C 0.936 176.199 175.328 -0.110 0.000 1.165 972 H CA -0.903 55.160 56.048 0.025 0.000 1.154 972 H CB 1.293 31.147 29.762 0.153 0.000 1.765 972 H HN 0.147 nan 8.280 nan 0.000 0.549 973 R N 0.981 121.580 120.500 0.165 0.000 2.148 973 R HA -0.126 4.227 4.340 0.021 0.000 0.227 973 R C 1.182 177.473 176.300 -0.014 0.000 1.103 973 R CA 1.586 57.708 56.100 0.036 0.000 0.983 973 R CB -0.420 29.950 30.300 0.116 0.000 0.874 973 R HN 0.763 nan 8.270 nan 0.000 0.451 974 H N 1.229 120.304 119.070 0.008 0.000 2.545 974 H HA 0.018 4.586 4.556 0.021 0.000 0.282 974 H C 1.331 176.541 175.328 -0.196 0.000 1.020 974 H CA 0.779 56.786 56.048 -0.068 0.000 1.243 974 H CB -0.075 29.669 29.762 -0.030 0.000 1.377 974 H HN 0.324 nan 8.280 nan 0.000 0.581 975 L N 0.949 121.739 121.223 -0.722 0.000 2.607 975 L HA 0.236 4.588 4.340 0.021 0.000 0.228 975 L C 0.591 177.005 176.870 -0.760 0.000 1.123 975 L CA -0.159 54.256 54.840 -0.709 0.000 0.890 975 L CB 0.152 41.819 42.059 -0.654 0.000 1.103 975 L HN 0.044 nan 8.230 nan 0.000 0.468 976 L N -0.306 120.581 121.223 -0.560 0.000 2.417 976 L HA 0.178 4.531 4.340 0.021 0.000 0.268 976 L C -0.386 176.203 176.870 -0.467 0.000 1.158 976 L CA -0.062 54.484 54.840 -0.489 0.000 0.819 976 L CB 0.470 42.223 42.059 -0.510 0.000 1.112 976 L HN 0.132 nan 8.230 nan 0.000 0.458 977 H N 0.528 119.666 119.070 0.112 0.000 2.600 977 H HA 0.515 5.083 4.556 0.021 0.000 0.357 977 H C -0.238 175.173 175.328 0.138 0.000 1.106 977 H CA -0.905 55.207 56.048 0.107 0.000 1.193 977 H CB 1.669 31.447 29.762 0.026 0.000 1.594 977 H HN 0.753 nan 8.280 nan 0.000 0.526 978 A N 2.785 125.686 122.820 0.134 0.000 2.511 978 A HA 0.090 4.422 4.320 0.021 0.000 0.242 978 A C 0.237 177.784 177.584 -0.061 0.000 1.069 978 A CA -0.282 51.658 52.037 -0.162 0.000 0.763 978 A CB 0.086 18.992 19.000 -0.157 0.000 1.001 978 A HN 0.799 nan 8.150 nan 0.000 0.498 979 E N 1.048 121.196 120.200 -0.087 0.000 2.322 979 E HA 0.109 4.472 4.350 0.021 0.000 0.257 979 E C 0.583 177.165 176.600 -0.030 0.000 1.155 979 E CA -0.537 55.880 56.400 0.028 0.000 0.936 979 E CB 0.631 30.459 29.700 0.212 0.000 1.130 979 E HN 0.820 nan 8.360 nan 0.000 0.465 980 E N 0.138 120.319 120.200 -0.031 0.000 2.065 980 E HA -0.235 4.128 4.350 0.021 0.000 0.201 980 E C 0.944 177.483 176.600 -0.101 0.000 1.016 980 E CA 1.738 58.096 56.400 -0.070 0.000 0.818 980 E CB 0.026 29.689 29.700 -0.062 0.000 0.749 980 E HN 0.564 nan 8.360 nan 0.000 0.453 981 G N -1.585 107.115 108.800 -0.166 0.000 3.392 981 G HA2 0.266 4.238 3.960 0.021 0.000 0.185 981 G HA3 0.266 4.238 3.960 0.021 0.000 0.185 981 G C -0.736 174.082 174.900 -0.136 0.000 1.206 981 G CA -0.203 44.813 45.100 -0.141 0.000 0.776 981 G HN 0.068 nan 8.290 nan 0.000 0.697 982 T N 0.614 115.086 114.554 -0.137 0.000 2.812 982 T HA 0.379 4.742 4.350 0.021 0.000 0.282 982 T C -1.515 173.065 174.700 -0.202 0.000 0.990 982 T CA -0.098 61.951 62.100 -0.085 0.000 0.960 982 T CB 1.442 70.371 68.868 0.101 0.000 0.948 982 T HN 0.306 nan 8.240 nan 0.000 0.438 983 W N 3.461 124.688 121.300 -0.122 0.000 2.322 983 W HA 0.593 5.266 4.660 0.021 0.000 0.307 983 W C -0.281 176.133 176.519 -0.175 0.000 1.220 983 W CA -0.702 56.568 57.345 -0.125 0.000 1.210 983 W CB 0.756 30.151 29.460 -0.107 0.000 1.223 983 W HN 0.375 nan 8.180 nan 0.000 0.511 984 L N 5.762 127.042 121.223 0.094 0.000 2.356 984 L HA 0.517 4.870 4.340 0.021 0.000 0.277 984 L C -1.013 175.796 176.870 -0.102 0.000 0.996 984 L CA -0.407 54.361 54.840 -0.121 0.000 0.822 984 L CB 0.981 42.823 42.059 -0.361 0.000 1.256 984 L HN 0.325 nan 8.230 nan 0.000 0.413 985 N N 7.022 125.642 118.700 -0.134 0.000 2.399 985 N HA 0.505 5.258 4.740 0.021 0.000 0.280 985 N C -1.305 174.092 175.510 -0.188 0.000 1.008 985 N CA -0.315 52.648 53.050 -0.145 0.000 0.894 985 N CB 2.438 40.859 38.487 -0.109 0.000 1.273 985 N HN 0.519 nan 8.380 nan 0.000 0.486 986 I N 1.718 122.134 120.570 -0.257 0.000 2.410 986 I HA 0.245 4.428 4.170 0.021 0.000 0.286 986 I C -0.769 175.195 176.117 -0.256 0.000 1.009 986 I CA -0.577 60.542 61.300 -0.302 0.000 1.111 986 I CB 1.783 39.438 38.000 -0.575 0.000 1.262 986 I HN 0.183 nan 8.210 nan 0.000 0.443 987 D N 4.493 124.786 120.400 -0.178 0.000 2.217 987 D HA 0.299 4.951 4.640 0.021 0.000 0.243 987 D C 0.975 177.018 176.300 -0.428 0.000 1.054 987 D CA -0.191 53.642 54.000 -0.278 0.000 0.838 987 D CB 2.647 43.371 40.800 -0.128 0.000 1.162 987 D HN 0.710 nan 8.370 nan 0.000 0.472 988 G N 1.270 109.543 108.800 -0.879 0.000 2.408 988 G HA2 0.009 3.981 3.960 0.021 0.000 0.215 988 G HA3 0.009 3.981 3.960 0.021 0.000 0.215 988 G C 0.067 174.199 174.900 -1.281 0.000 1.156 988 G CA 0.552 44.887 45.100 -1.274 0.000 0.793 988 G HN 0.379 nan 8.290 nan 0.000 0.535 989 F N -1.639 118.090 119.950 -0.368 0.000 2.619 989 F HA 0.542 5.082 4.527 0.021 0.000 0.308 989 F C -0.653 175.032 175.800 -0.192 0.000 1.097 989 F CA -1.415 56.450 58.000 -0.226 0.000 0.953 989 F CB 1.728 40.547 39.000 -0.303 0.000 1.287 989 F HN -0.089 nan 8.300 nan 0.000 0.446 990 H N 3.105 122.180 119.070 0.008 0.000 2.759 990 H HA 0.452 5.020 4.556 0.021 0.000 0.354 990 H C -0.970 174.367 175.328 0.016 0.000 1.074 990 H CA -0.741 55.285 56.048 -0.037 0.000 1.226 990 H CB 2.351 32.080 29.762 -0.054 0.000 1.648 990 H HN 0.900 nan 8.280 nan 0.000 0.529 991 M N 3.231 122.752 119.600 -0.132 0.000 2.240 991 M HA 0.372 4.864 4.480 0.021 0.000 0.333 991 M C 0.240 176.622 176.300 0.137 0.000 1.110 991 M CA 0.132 55.434 55.300 0.004 0.000 1.173 991 M CB 0.702 33.226 32.600 -0.127 0.000 1.458 991 M HN 0.608 nan 8.290 nan 0.000 0.458 992 G N 2.307 111.179 108.800 0.121 0.000 2.699 992 G HA2 0.291 4.264 3.960 0.021 0.000 0.246 992 G HA3 0.291 4.264 3.960 0.021 0.000 0.246 992 G C 0.566 175.444 174.900 -0.037 0.000 1.219 992 G CA -0.297 44.808 45.100 0.008 0.000 0.866 992 G HN 1.025 nan 8.290 nan 0.000 0.572 993 I N -1.899 118.604 120.570 -0.112 0.000 3.645 993 I HA 0.423 4.606 4.170 0.021 0.000 0.300 993 I C 1.226 177.290 176.117 -0.089 0.000 1.260 993 I CA 0.426 61.630 61.300 -0.159 0.000 1.365 993 I CB -0.548 37.258 38.000 -0.323 0.000 1.077 993 I HN 0.960 nan 8.210 nan 0.000 0.439 994 G N 1.439 110.217 108.800 -0.037 0.000 2.698 994 G HA2 0.052 4.024 3.960 0.021 0.000 0.233 994 G HA3 0.052 4.024 3.960 0.021 0.000 0.233 994 G C 0.527 175.443 174.900 0.026 0.000 1.352 994 G CA 0.073 45.191 45.100 0.030 0.000 0.879 994 G HN 1.317 nan 8.290 nan 0.000 0.567 995 G N -2.460 106.369 108.800 0.048 0.000 2.902 995 G HA2 0.026 3.998 3.960 0.021 0.000 0.215 995 G HA3 0.026 3.998 3.960 0.021 0.000 0.215 995 G C 0.682 175.650 174.900 0.113 0.000 0.976 995 G CA 0.905 46.045 45.100 0.066 0.000 0.794 995 G HN 0.980 nan 8.290 nan 0.000 0.557 996 D N 1.330 121.811 120.400 0.135 0.000 2.203 996 D HA 0.074 4.727 4.640 0.021 0.000 0.199 996 D C 0.979 177.313 176.300 0.057 0.000 0.997 996 D CA 2.203 56.330 54.000 0.211 0.000 0.863 996 D CB 0.084 41.013 40.800 0.215 0.000 0.928 996 D HN 0.811 nan 8.370 nan 0.000 0.458 997 D N -3.666 116.576 120.400 -0.262 0.000 2.671 997 D HA 0.288 4.940 4.640 0.021 0.000 0.273 997 D C -0.807 175.038 176.300 -0.758 0.000 1.264 997 D CA -0.729 52.718 54.000 -0.922 0.000 0.788 997 D CB 0.739 40.452 40.800 -1.813 0.000 1.324 997 D HN -0.283 nan 8.370 nan 0.000 0.424 998 S N -0.566 114.536 115.700 -0.996 0.000 2.664 998 S HA 0.241 4.723 4.470 0.021 0.000 0.245 998 S C -0.470 174.178 174.600 0.080 0.000 1.019 998 S CA -0.645 57.435 58.200 -0.200 0.000 0.996 998 S CB -0.523 62.809 63.200 0.221 0.000 0.878 998 S HN 0.607 nan 8.310 nan 0.000 0.493 999 W N 1.263 122.489 121.300 -0.122 0.000 2.252 999 W HA 0.580 5.252 4.660 0.020 0.000 0.338 999 W C -0.108 176.361 176.519 -0.082 0.000 0.914 999 W CA -0.630 56.654 57.345 -0.101 0.000 1.754 999 W CB -0.500 28.837 29.460 -0.206 0.000 1.135 999 W HN 0.148 nan 8.180 nan 0.000 0.531 1000 S N -1.297 114.292 115.700 -0.185 0.000 2.567 1000 S HA 0.561 5.044 4.470 0.021 0.000 0.270 1000 S C -3.141 171.393 174.600 -0.110 0.000 1.152 1000 S CA -1.554 56.575 58.200 -0.117 0.000 0.835 1000 S CB 1.445 64.580 63.200 -0.108 0.000 1.115 1000 S HN -0.201 nan 8.310 nan 0.000 0.459 1001 P HA 0.191 nan 4.420 nan 0.000 0.262 1001 P C 0.439 177.771 177.300 0.053 0.000 1.199 1001 P CA 0.025 63.133 63.100 0.013 0.000 0.763 1001 P CB 0.512 32.126 31.700 -0.144 0.000 0.790 1002 S N 0.875 116.643 115.700 0.114 0.000 2.701 1002 S HA 0.156 4.639 4.470 0.021 0.000 0.242 1002 S C 0.252 174.947 174.600 0.158 0.000 1.025 1002 S CA -0.343 57.910 58.200 0.088 0.000 1.016 1002 S CB -0.210 62.997 63.200 0.012 0.000 0.977 1002 S HN 0.122 nan 8.310 nan 0.000 0.546 1003 V N 4.063 124.123 119.914 0.244 0.000 2.408 1003 V HA 0.369 4.502 4.120 0.021 0.000 0.267 1003 V C 0.481 176.744 176.094 0.282 0.000 1.047 1003 V CA -0.496 61.950 62.300 0.244 0.000 0.937 1003 V CB 0.655 32.577 31.823 0.165 0.000 0.999 1003 V HN 0.601 nan 8.190 nan 0.000 0.472 1004 S N 4.206 120.094 115.700 0.313 0.000 2.564 1004 S HA 0.362 4.844 4.470 0.021 0.000 0.278 1004 S C 1.560 176.259 174.600 0.165 0.000 1.333 1004 S CA -0.078 58.255 58.200 0.222 0.000 1.048 1004 S CB 1.330 64.618 63.200 0.146 0.000 0.900 1004 S HN 1.036 nan 8.310 nan 0.000 0.505 1005 A N 2.399 125.276 122.820 0.095 0.000 1.954 1005 A HA -0.286 4.046 4.320 0.021 0.000 0.222 1005 A C 1.921 179.477 177.584 -0.047 0.000 1.199 1005 A CA 2.274 54.349 52.037 0.064 0.000 0.657 1005 A CB -1.147 17.877 19.000 0.039 0.000 0.823 1005 A HN 0.927 nan 8.150 nan 0.000 0.463 1006 E N -0.902 119.146 120.200 -0.254 0.000 2.267 1006 E HA -0.136 4.227 4.350 0.021 0.000 0.197 1006 E C 1.066 177.348 176.600 -0.530 0.000 0.998 1006 E CA 1.301 57.411 56.400 -0.482 0.000 0.830 1006 E CB -0.395 28.793 29.700 -0.854 0.000 0.751 1006 E HN 0.813 nan 8.360 nan 0.000 0.491 1007 F N 0.746 120.741 119.950 0.075 0.000 2.641 1007 F HA 0.200 4.739 4.527 0.021 0.000 0.302 1007 F C 0.469 176.298 175.800 0.048 0.000 1.098 1007 F CA -0.480 57.562 58.000 0.071 0.000 1.318 1007 F CB 0.274 39.317 39.000 0.071 0.000 1.035 1007 F HN -0.169 nan 8.300 nan 0.000 0.551 1008 Q N 1.484 121.383 119.800 0.164 0.000 2.256 1008 Q HA 0.395 4.747 4.340 0.021 0.000 0.257 1008 Q C -0.278 175.739 176.000 0.028 0.000 0.936 1008 Q CA -0.579 55.296 55.803 0.121 0.000 0.903 1008 Q CB 2.146 31.040 28.738 0.259 0.000 1.263 1008 Q HN 0.276 nan 8.270 nan 0.000 0.440 1009 L N 2.581 123.804 121.223 0.000 0.000 2.415 1009 L HA 0.085 4.438 4.340 0.021 0.000 0.269 1009 L C 0.581 177.403 176.870 -0.081 0.000 1.244 1009 L CA -0.007 54.815 54.840 -0.031 0.000 1.113 1009 L CB -0.560 41.359 42.059 -0.233 0.000 1.352 1009 L HN 0.698 nan 8.230 nan 0.000 0.433 1010 S N -0.958 114.627 115.700 -0.192 0.000 2.663 1010 S HA 0.233 4.716 4.470 0.021 0.000 0.243 1010 S C 1.377 175.894 174.600 -0.140 0.000 1.009 1010 S CA 0.104 58.023 58.200 -0.468 0.000 0.988 1010 S CB 0.920 63.769 63.200 -0.585 0.000 0.896 1010 S HN 0.533 nan 8.310 nan 0.000 0.502 1011 A N 1.339 124.105 122.820 -0.090 0.000 2.021 1011 A HA 0.568 4.900 4.320 0.021 0.000 0.216 1011 A C 1.983 179.397 177.584 -0.282 0.000 1.163 1011 A CA 1.089 52.936 52.037 -0.316 0.000 0.676 1011 A CB -0.980 17.617 19.000 -0.671 0.000 0.818 1011 A HN 1.468 nan 8.150 nan 0.000 0.453 1012 G N -1.335 107.371 108.800 -0.157 0.000 3.079 1012 G HA2 -0.245 3.727 3.960 0.021 0.000 0.214 1012 G HA3 -0.245 3.727 3.960 0.021 0.000 0.214 1012 G C 0.371 175.227 174.900 -0.074 0.000 1.335 1012 G CA 0.281 45.361 45.100 -0.034 0.000 0.822 1012 G HN 0.597 nan 8.290 nan 0.000 0.545 1013 R N 0.372 120.704 120.500 -0.280 0.000 2.338 1013 R HA 0.743 5.095 4.340 0.021 0.000 0.317 1013 R C -1.325 174.698 176.300 -0.461 0.000 0.968 1013 R CA -0.294 55.690 56.100 -0.194 0.000 0.849 1013 R CB 0.797 31.031 30.300 -0.110 0.000 1.128 1013 R HN 0.394 nan 8.270 nan 0.000 0.448 1014 Y N 0.964 121.263 120.300 -0.002 0.000 2.442 1014 Y HA 0.359 4.922 4.550 0.021 0.000 0.344 1014 Y C -0.340 175.711 175.900 0.251 0.000 0.976 1014 Y CA -0.858 57.206 58.100 -0.059 0.000 1.040 1014 Y CB 2.042 40.285 38.460 -0.362 0.000 1.228 1014 Y HN 0.589 nan 8.280 nan 0.000 0.451 1015 H N 3.139 122.491 119.070 0.471 0.000 2.637 1015 H HA 0.649 5.217 4.556 0.021 0.000 0.363 1015 H C -1.672 174.035 175.328 0.632 0.000 1.131 1015 H CA -0.925 55.383 56.048 0.433 0.000 1.183 1015 H CB 1.372 31.284 29.762 0.250 0.000 1.637 1015 H HN 0.597 nan 8.280 nan 0.000 0.531 1016 Y N 1.104 121.160 120.300 -0.406 0.000 2.624 1016 Y HA 0.460 5.023 4.550 0.021 0.000 0.334 1016 Y C -2.150 173.600 175.900 -0.251 0.000 1.155 1016 Y CA -1.075 56.918 58.100 -0.178 0.000 1.046 1016 Y CB 1.255 39.696 38.460 -0.032 0.000 1.316 1016 Y HN 0.683 nan 8.280 nan 0.000 0.457 1017 Q N 3.395 123.215 119.800 0.034 0.000 2.379 1017 Q HA 0.766 5.119 4.340 0.021 0.000 0.278 1017 Q C -1.763 174.302 176.000 0.108 0.000 1.068 1017 Q CA -1.098 54.694 55.803 -0.018 0.000 0.816 1017 Q CB 3.525 32.292 28.738 0.049 0.000 1.387 1017 Q HN 0.715 nan 8.270 nan 0.000 0.413 1018 L N 0.913 122.175 121.223 0.065 0.000 2.327 1018 L HA 0.749 5.102 4.340 0.021 0.000 0.258 1018 L C -1.026 175.937 176.870 0.155 0.000 1.024 1018 L CA -1.332 53.581 54.840 0.121 0.000 0.825 1018 L CB 2.582 44.700 42.059 0.098 0.000 1.386 1018 L HN 0.410 nan 8.230 nan 0.000 0.417 1019 V N 0.845 120.880 119.914 0.202 0.000 2.447 1019 V HA 0.325 4.457 4.120 0.021 0.000 0.292 1019 V C -1.153 175.105 176.094 0.272 0.000 1.021 1019 V CA -0.462 61.968 62.300 0.216 0.000 0.850 1019 V CB 2.094 34.021 31.823 0.173 0.000 1.005 1019 V HN 0.568 nan 8.190 nan 0.000 0.426 1020 W N 6.997 128.343 121.300 0.076 0.000 2.469 1020 W HA 0.745 5.418 4.660 0.021 0.000 0.320 1020 W C -0.105 176.394 176.519 -0.034 0.000 1.086 1020 W CA -0.999 56.312 57.345 -0.056 0.000 1.211 1020 W CB 1.476 30.953 29.460 0.029 0.000 1.298 1020 W HN 0.870 nan 8.180 nan 0.000 0.525 1021 C N 3.348 122.942 119.300 0.490 0.000 3.272 1021 C HA 0.750 5.223 4.460 0.021 0.000 0.363 1021 C C -1.054 174.028 174.990 0.152 0.000 1.514 1021 C CA -0.811 58.360 59.018 0.256 0.000 1.185 1021 C CB 1.521 29.355 27.740 0.156 0.000 1.716 1021 C HN 0.579 nan 8.230 nan 0.000 0.440 1022 Q N 0.474 120.302 119.800 0.047 0.000 2.416 1022 Q HA 0.848 5.200 4.340 0.021 0.000 0.279 1022 Q C -0.878 175.094 176.000 -0.046 0.000 1.101 1022 Q CA -0.323 55.444 55.803 -0.058 0.000 0.830 1022 Q CB 2.010 30.671 28.738 -0.128 0.000 1.402 1022 Q HN 0.745 nan 8.270 nan 0.000 0.445 1023 K N 0.000 120.349 120.400 -0.085 0.000 2.780 1023 K HA 0.000 4.333 4.320 0.021 0.000 0.191 1023 K CA 0.000 56.251 56.287 -0.060 0.000 0.838 1023 K CB 0.000 32.476 32.500 -0.040 0.000 1.064 1023 K HN 0.000 nan 8.250 nan 0.000 0.543