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_A 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 -1.673 112.908 114.554 0.045 0.000 3.169 4 T HA 0.253 4.608 4.350 0.008 0.000 0.250 4 T C 0.603 175.330 174.700 0.045 0.000 1.111 4 T CA 0.895 63.007 62.100 0.020 0.000 1.010 4 T CB -0.463 68.417 68.868 0.020 0.000 0.984 4 T HN 0.366 nan 8.240 nan 0.000 0.537 5 D N 1.624 122.104 120.400 0.134 0.000 2.407 5 D HA 0.116 4.761 4.640 0.008 0.000 0.208 5 D C 0.867 177.360 176.300 0.322 0.000 1.083 5 D CA 0.040 54.229 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 0.564 nan 8.370 nan 0.000 0.506 6 S N 0.337 116.116 115.700 0.131 0.000 2.560 6 S HA 0.077 4.552 4.470 0.008 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 2.439 123.673 121.223 0.019 0.000 1.997 7 L HA -0.234 4.111 4.340 0.008 0.000 0.216 7 L C 3.105 179.997 176.870 0.038 0.000 1.074 7 L CA 1.945 56.810 54.840 0.042 0.000 0.763 7 L CB -1.388 40.647 42.059 -0.040 0.000 0.890 7 L HN 0.968 nan 8.230 nan 0.000 0.434 8 A N -0.540 122.286 122.820 0.009 0.000 1.927 8 A HA -0.212 4.113 4.320 0.008 0.000 0.220 8 A C 2.339 179.920 177.584 -0.005 0.000 1.185 8 A CA 2.404 54.444 52.037 0.005 0.000 0.639 8 A CB -0.919 18.079 19.000 -0.003 0.000 0.820 8 A HN 0.241 nan 8.150 nan 0.000 0.451 9 V N -0.957 118.945 119.914 -0.019 0.000 2.273 9 V HA -0.173 3.952 4.120 0.008 0.000 0.242 9 V C 2.537 178.564 176.094 -0.113 0.000 1.035 9 V CA 1.619 63.885 62.300 -0.057 0.000 1.013 9 V CB -0.620 31.170 31.823 -0.056 0.000 0.652 9 V HN 0.368 nan 8.190 nan 0.000 0.452 10 V N 0.352 120.172 119.914 -0.157 0.000 2.220 10 V HA -0.351 3.774 4.120 0.008 0.000 0.250 10 V C 2.339 178.334 176.094 -0.165 0.000 1.053 10 V CA 2.565 64.668 62.300 -0.329 0.000 1.019 10 V CB -0.742 30.879 31.823 -0.337 0.000 0.646 10 V HN 0.468 nan 8.190 nan 0.000 0.455 11 L N 0.252 121.480 121.223 0.008 0.000 2.357 11 L HA -0.279 4.066 4.340 0.008 0.000 0.220 11 L C 2.608 179.578 176.870 0.167 0.000 1.123 11 L CA 1.953 56.937 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 0.610 120.424 119.800 0.022 0.000 2.084 12 Q HA -0.200 4.145 4.340 0.008 0.000 0.202 12 Q C 2.214 178.157 176.000 -0.094 0.000 0.978 12 Q CA 1.499 57.287 55.803 -0.025 0.000 0.844 12 Q CB -0.197 28.512 28.738 -0.048 0.000 0.898 12 Q HN 0.198 nan 8.270 nan 0.000 0.426 13 R N 0.514 120.936 120.500 -0.130 0.000 2.237 13 R HA 0.044 4.389 4.340 0.008 0.000 0.219 13 R C 0.129 176.248 176.300 -0.302 0.000 1.080 13 R CA 0.857 56.847 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 4.196 4.340 0.008 0.000 0.247 14 R C -0.056 175.739 176.300 -0.842 0.000 0.918 14 R CA 0.579 55.995 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 2.218 15 D HA -0.187 4.458 4.640 0.008 0.000 0.204 15 D C 1.616 177.816 176.300 -0.166 0.000 0.976 15 D CA 1.799 55.566 54.000 -0.388 0.000 0.853 15 D CB -0.119 40.299 40.800 -0.636 0.000 0.939 15 D HN 0.747 nan 8.370 nan 0.000 0.481 16 W N 1.378 122.675 121.300 -0.004 0.000 3.204 16 W HA 0.207 4.872 4.660 0.008 0.000 0.249 16 W C 0.591 177.209 176.519 0.164 0.000 1.322 16 W CA -0.296 57.173 57.345 0.207 0.000 1.593 16 W CB -0.189 29.431 29.460 0.267 0.000 1.122 16 W HN -0.213 nan 8.180 nan 0.000 0.710 17 E N 1.281 121.305 120.200 -0.293 0.000 3.385 17 E HA 0.056 4.411 4.350 0.008 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 4.837 4.740 0.008 0.000 0.262 18 N C -2.503 172.889 175.510 -0.196 0.000 1.241 18 N CA -1.488 51.434 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 0.685 63.486 63.100 -0.499 0.000 0.763 19 P CB 0.074 31.039 31.700 -1.225 0.000 0.805 20 G N -0.767 107.850 108.800 -0.306 0.000 2.880 20 G HA2 0.111 4.076 3.960 0.008 0.000 0.209 20 G HA3 0.111 4.076 3.960 0.008 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 1.621 121.482 119.914 -0.088 0.000 2.357 21 V HA 0.280 4.405 4.120 0.008 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 0.905 115.500 114.554 0.068 0.000 2.990 22 T HA 0.312 4.667 4.350 0.008 0.000 0.250 22 T C 0.310 175.033 174.700 0.039 0.000 1.041 22 T CA 0.138 62.272 62.100 0.057 0.000 1.010 22 T CB 0.346 69.206 68.868 -0.014 0.000 1.003 22 T HN 0.669 nan 8.240 nan 0.000 0.499 23 Q N 0.116 119.979 119.800 0.105 0.000 2.633 23 Q HA 0.700 5.045 4.340 0.008 0.000 0.289 23 Q C -2.352 173.756 176.000 0.180 0.000 0.940 23 Q CA -1.177 54.681 55.803 0.091 0.000 0.785 23 Q CB 0.902 29.624 28.738 -0.026 0.000 1.467 23 Q HN 0.025 nan 8.270 nan 0.000 0.401 24 L N 2.548 123.902 121.223 0.218 0.000 2.482 24 L HA 0.550 4.895 4.340 0.008 0.000 0.269 24 L C -0.774 176.201 176.870 0.174 0.000 0.967 24 L CA -0.127 54.850 54.840 0.229 0.000 0.851 24 L CB 1.294 43.597 42.059 0.408 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 -0.218 4.527 4.740 0.008 0.000 0.251 25 N C 0.408 176.000 175.510 0.137 0.000 1.101 25 N CA 0.689 53.810 53.050 0.119 0.000 0.764 25 N CB -0.694 37.830 38.487 0.061 0.000 1.122 25 N HN 0.651 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 0.445 4.790 4.340 0.008 0.000 0.296 26 R C 0.680 176.848 176.300 -0.220 0.000 1.052 26 R CA -0.477 55.404 56.100 -0.365 0.000 0.988 26 R CB 0.634 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 2.842 123.915 121.223 -0.251 0.000 2.474 27 L HA 0.256 4.601 4.340 0.008 0.000 0.259 27 L C 0.804 177.628 176.870 -0.077 0.000 1.232 27 L CA -0.427 54.352 54.840 -0.102 0.000 0.821 27 L CB 0.389 42.416 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 0.550 4.875 4.320 0.008 0.000 0.249 28 A C 0.210 177.828 177.584 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 0.468 123.282 122.820 -0.011 0.000 2.304 29 A HA 0.722 5.047 4.320 0.008 0.000 0.271 29 A C 0.039 177.600 177.584 -0.039 0.000 1.091 29 A CA 0.432 52.406 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 -2.678 116.254 119.070 -0.231 0.000 2.904 30 H HA 0.562 5.123 4.556 0.008 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 29.593 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 0.071 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 64.093 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 1.250 121.324 119.950 0.207 0.000 2.538 33 F HA 0.600 5.132 4.527 0.008 0.000 0.325 33 F C 1.011 176.783 175.800 -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 0.361 123.166 122.820 -0.026 0.000 2.425 34 A HA 0.256 4.581 4.320 0.008 0.000 0.201 34 A C 0.644 177.965 177.584 -0.438 0.000 1.431 34 A CA 0.472 52.239 52.037 -0.450 0.000 1.066 34 A CB -0.016 18.188 19.000 -1.325 0.000 1.318 34 A HN 0.756 nan 8.150 nan 0.000 0.534 35 S N 0.149 115.694 115.700 -0.258 0.000 3.711 35 S HA -0.133 4.342 4.470 0.008 0.000 0.374 35 S C -0.088 174.450 174.600 -0.104 0.000 0.969 35 S CA 0.370 58.467 58.200 -0.173 0.000 1.198 35 S CB -1.619 61.461 63.200 -0.200 0.000 0.903 35 S HN 0.479 nan 8.310 nan 0.000 0.493 36 W N 1.810 123.100 121.300 -0.016 0.000 2.137 36 W HA 0.231 4.896 4.660 0.008 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 29.706 29.460 -0.003 0.000 1.141 36 W HN 0.362 nan 8.180 nan 0.000 0.579 37 R N 1.296 121.943 120.500 0.245 0.000 2.543 37 R HA 0.065 4.410 4.340 0.008 0.000 0.323 37 R C -0.369 176.002 176.300 0.119 0.000 1.002 37 R CA -0.211 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 0.458 nan 8.270 nan 0.000 0.549 38 N N -0.331 118.454 118.700 0.140 0.000 2.454 38 N HA -0.015 4.730 4.740 0.008 0.000 0.291 38 N C 0.678 176.175 175.510 -0.023 0.000 1.079 38 N CA -0.138 52.945 53.050 0.055 0.000 0.893 38 N CB 1.945 40.460 38.487 0.045 0.000 1.512 38 N HN -0.132 nan 8.380 nan 0.000 0.497 39 S N 2.598 118.264 115.700 -0.056 0.000 2.387 39 S HA -0.202 4.273 4.470 0.008 0.000 0.230 39 S C 1.230 175.678 174.600 -0.254 0.000 1.035 39 S CA 1.295 59.416 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 4.252 4.350 0.008 0.000 0.192 40 E C 2.198 178.601 176.600 -0.328 0.000 0.984 40 E CA 1.109 57.341 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 0.599 120.630 120.200 -0.283 0.000 2.077 41 E HA -0.155 4.200 4.350 0.008 0.000 0.193 41 E C 2.056 178.151 176.600 -0.841 0.000 0.989 41 E CA 0.888 57.102 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 1.556 123.678 122.820 -1.163 0.000 1.877 42 A HA -0.219 4.106 4.320 0.008 0.000 0.216 42 A C 2.108 179.119 177.584 -0.956 0.000 1.186 42 A CA 1.584 52.580 52.037 -1.735 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 -0.331 119.785 120.500 -0.639 0.000 2.096 43 R HA -0.121 4.224 4.340 0.008 0.000 0.235 43 R C 1.778 177.837 176.300 -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 -2.719 111.617 114.554 -0.364 0.000 3.122 44 T HA 0.077 4.432 4.350 0.008 0.000 0.250 44 T C 0.164 174.786 174.700 -0.131 0.000 1.067 44 T CA 0.289 62.261 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 0.284 nan 8.240 nan 0.000 0.542 45 D N 0.940 121.222 120.400 -0.197 0.000 2.870 45 D HA -0.159 4.486 4.640 0.008 0.000 0.228 45 D C 0.201 176.603 176.300 0.169 0.000 1.147 45 D CA 0.427 54.440 54.000 0.022 0.000 0.757 45 D CB -1.165 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 4.834 4.340 0.008 0.000 0.275 46 R C -2.138 174.458 176.300 0.492 0.000 1.121 46 R CA -1.020 55.220 56.100 0.234 0.000 1.207 46 R CB 0.242 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 0.069 nan 4.420 nan 0.000 0.288 47 P C -1.109 176.302 177.300 0.184 0.000 1.267 47 P CA -0.261 62.985 63.100 0.244 0.000 0.815 47 P CB 1.589 33.374 31.700 0.142 0.000 0.989 48 S N 2.248 117.907 115.700 -0.069 0.000 2.465 48 S HA 0.060 4.535 4.470 0.008 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 0.100 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 4.211 4.340 0.008 0.000 0.209 49 Q C 0.868 176.996 176.000 0.214 0.000 0.977 49 Q CA 1.100 56.979 55.803 0.127 0.000 0.885 49 Q CB -0.215 28.604 28.738 0.136 0.000 0.941 49 Q HN 0.742 nan 8.270 nan 0.000 0.464 50 Q N 0.177 120.049 119.800 0.121 0.000 2.444 50 Q HA 0.143 4.488 4.340 0.008 0.000 0.206 50 Q C -0.378 175.688 176.000 0.110 0.000 0.948 50 Q CA 0.228 56.095 55.803 0.107 0.000 0.946 50 Q CB 0.401 29.098 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 4.787 4.340 0.008 0.000 0.270 51 L C -1.335 175.615 176.870 0.134 0.000 0.982 51 L CA -0.353 54.550 54.840 0.106 0.000 0.843 51 L CB 1.229 43.264 42.059 -0.039 0.000 1.225 51 L HN -0.135 nan 8.230 nan 0.000 0.412 52 R N 2.692 123.305 120.500 0.188 0.000 2.562 52 R HA 0.578 4.923 4.340 0.008 0.000 0.298 52 R C -0.642 175.684 176.300 0.043 0.000 0.961 52 R CA -0.707 55.457 56.100 0.107 0.000 0.881 52 R CB 2.097 32.446 30.300 0.081 0.000 1.159 52 R HN 0.644 nan 8.270 nan 0.000 0.450 53 S N 2.723 118.434 115.700 0.019 0.000 2.537 53 S HA 0.269 4.744 4.470 0.008 0.000 0.275 53 S C 0.670 175.267 174.600 -0.005 0.000 1.272 53 S CA -0.651 57.550 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 3.807 125.025 121.223 -0.009 0.000 2.791 54 L HA 0.302 4.647 4.340 0.008 0.000 0.239 54 L C -0.022 176.998 176.870 0.250 0.000 1.203 54 L CA -0.397 54.470 54.840 0.046 0.000 1.002 54 L CB -0.566 41.479 42.059 -0.024 0.000 1.295 54 L HN 0.495 nan 8.230 nan 0.000 0.504 55 N N 1.362 120.143 118.700 0.134 0.000 2.530 55 N HA 0.561 5.306 4.740 0.008 0.000 0.273 55 N C 0.642 176.274 175.510 0.204 0.000 1.173 55 N CA 0.661 53.799 53.050 0.146 0.000 0.967 55 N CB 1.727 40.234 38.487 0.033 0.000 1.109 55 N HN 0.306 nan 8.380 nan 0.000 0.453 56 G N 0.668 109.628 108.800 0.265 0.000 2.470 56 G HA2 -0.056 3.909 3.960 0.008 0.000 0.145 56 G HA3 -0.056 3.909 3.960 0.008 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 4.832 4.350 0.008 0.000 0.284 57 E C -1.154 175.697 176.600 0.419 0.000 1.035 57 E CA -0.237 56.352 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 1.743 123.138 121.300 0.158 0.000 2.929 58 W HA 0.416 5.081 4.660 0.008 0.000 0.345 58 W C -0.088 176.564 176.519 0.222 0.000 1.151 58 W CA -0.696 56.775 57.345 0.211 0.000 1.111 58 W CB 1.038 30.682 29.460 0.306 0.000 1.449 58 W HN 0.244 nan 8.180 nan 0.000 0.572 59 R N 1.578 122.358 120.500 0.468 0.000 2.407 59 R HA 0.627 4.972 4.340 0.008 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 32.185 30.300 0.244 0.000 1.099 59 R HN 0.381 nan 8.270 nan 0.000 0.459 60 F N 0.924 120.925 119.950 0.085 0.000 2.588 60 F HA 0.673 5.205 4.527 0.008 0.000 0.310 60 F C -1.495 174.214 175.800 -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 4.378 126.478 122.820 -1.200 0.000 2.459 61 A HA 0.511 4.836 4.320 0.008 0.000 0.296 61 A C -2.379 174.464 177.584 -1.235 0.000 1.039 61 A CA -0.485 51.019 52.037 -0.889 0.000 0.698 61 A CB 0.506 19.305 19.000 -0.335 0.000 1.261 61 A HN 0.950 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 0.760 5.424 4.660 0.008 0.000 0.324 62 W C -1.791 174.207 176.519 -0.869 0.000 1.119 62 W CA -0.250 56.540 57.345 -0.925 0.000 1.221 62 W CB 1.021 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 5.821 125.147 119.950 -1.039 0.000 2.588 63 F HA 0.337 4.869 4.527 0.008 0.000 0.310 63 F C -1.486 173.459 175.800 -1.424 0.000 1.082 63 F CA -2.637 54.853 58.000 -0.851 0.000 0.929 63 F CB 1.504 40.169 39.000 -0.558 0.000 1.254 63 F HN 0.184 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 -0.565 122.155 122.820 -0.167 0.000 2.582 65 A HA 0.502 4.827 4.320 0.008 0.000 0.297 65 A C -2.423 175.070 177.584 -0.152 0.000 1.059 65 A CA -1.019 50.963 52.037 -0.092 0.000 0.705 65 A CB 0.515 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 1.953 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 0.187 120.350 120.200 -0.063 0.000 2.265 67 E HA -0.105 4.250 4.350 0.008 0.000 0.196 67 E C 1.727 178.288 176.600 -0.066 0.000 0.996 67 E CA 1.273 57.659 56.400 -0.024 0.000 0.832 67 E CB -0.878 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 1.588 124.355 122.820 -0.088 0.000 2.259 68 A HA 0.185 4.510 4.320 0.008 0.000 0.208 68 A C 0.963 178.411 177.584 -0.226 0.000 1.201 68 A CA -0.141 51.869 52.037 -0.044 0.000 0.824 68 A CB -0.010 19.048 19.000 0.096 0.000 0.838 68 A HN 0.028 nan 8.150 nan 0.000 0.485 69 V N 1.912 121.548 119.914 -0.462 0.000 2.607 69 V HA 0.293 4.418 4.120 0.008 0.000 0.289 69 V C -2.313 173.581 176.094 -0.334 0.000 1.053 69 V CA -1.438 60.410 62.300 -0.753 0.000 0.996 69 V CB 1.227 32.491 31.823 -0.932 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 0.235 177.511 177.300 -0.041 0.000 1.326 70 P CA -0.583 62.465 63.100 -0.085 0.000 0.844 70 P CB 1.654 33.346 31.700 -0.012 0.000 0.992 71 E N 1.356 121.529 120.200 -0.045 0.000 2.233 71 E HA -0.241 4.114 4.350 0.008 0.000 0.199 71 E C 1.839 178.410 176.600 -0.047 0.000 1.004 71 E CA 1.901 58.267 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 -0.490 115.207 115.700 -0.005 0.000 2.387 72 S HA -0.236 4.239 4.470 0.008 0.000 0.230 72 S C 1.735 176.344 174.600 0.014 0.000 1.035 72 S CA 1.322 59.525 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 4.587 4.660 0.008 0.000 0.291 73 W C 1.693 178.097 176.519 -0.192 0.000 1.214 73 W CA 1.477 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 -0.169 4.176 4.340 0.008 0.000 0.210 74 L C 2.277 178.896 176.870 -0.420 0.000 1.092 74 L CA 1.699 56.152 54.840 -0.645 0.000 0.759 74 L CB -0.689 41.004 42.059 -0.609 0.000 0.903 74 L HN -0.085 nan 8.230 nan 0.000 0.435 75 E N -1.839 118.210 120.200 -0.251 0.000 2.251 75 E HA 0.071 4.426 4.350 0.008 0.000 0.194 75 E C -0.188 176.337 176.600 -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 0.286 nan 8.360 nan 0.000 0.481 76 C N 0.308 119.543 119.300 -0.109 0.000 3.086 76 C HA 0.361 4.825 4.460 0.008 0.000 0.311 76 C C -0.859 174.131 174.990 -0.000 0.000 1.260 76 C CA -1.132 57.855 59.018 -0.053 0.000 1.426 76 C CB 0.827 28.557 27.740 -0.018 0.000 1.826 76 C HN 0.232 nan 8.230 nan 0.000 0.474 77 D N 1.145 121.562 120.400 0.028 0.000 2.300 77 D HA 0.279 4.924 4.640 0.008 0.000 0.235 77 D C -0.429 175.952 176.300 0.134 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 0.952 122.268 121.223 0.156 0.000 2.385 78 L HA 0.197 4.542 4.340 0.008 0.000 0.273 78 L C -1.512 175.408 176.870 0.084 0.000 0.990 78 L CA -1.831 53.084 54.840 0.124 0.000 0.821 78 L CB 2.278 44.423 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 0.566 177.889 177.300 0.040 0.000 1.158 79 P CA 1.622 64.749 63.100 0.044 0.000 0.895 79 P CB 0.274 31.995 31.700 0.035 0.000 0.792 80 E N -1.150 119.069 120.200 0.033 0.000 2.479 80 E HA 0.315 4.670 4.350 0.008 0.000 0.193 80 E C 0.722 177.336 176.600 0.025 0.000 1.049 80 E CA -0.093 56.318 56.400 0.019 0.000 0.870 80 E CB -0.570 29.125 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 4.565 4.320 0.008 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 0.157 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 0.109 120.597 120.400 0.147 0.000 2.437 82 D HA 0.528 5.173 4.640 0.008 0.000 0.259 82 D C -0.368 176.049 176.300 0.195 0.000 1.118 82 D CA 0.047 54.152 54.000 0.174 0.000 1.017 82 D CB 0.811 41.752 40.800 0.235 0.000 1.120 82 D HN 0.356 nan 8.370 nan 0.000 0.541 83 T N 0.825 115.476 114.554 0.160 0.000 2.801 83 T HA 0.436 4.791 4.350 0.008 0.000 0.306 83 T C -0.578 174.216 174.700 0.157 0.000 1.020 83 T CA -0.426 61.774 62.100 0.167 0.000 0.948 83 T CB 0.512 69.455 68.868 0.124 0.000 0.962 83 T HN 0.002 nan 8.240 nan 0.000 0.465 84 V N 3.989 124.034 119.914 0.219 0.000 2.850 84 V HA 0.586 4.711 4.120 0.008 0.000 0.315 84 V C -0.116 176.117 176.094 0.232 0.000 1.064 84 V CA -0.683 61.727 62.300 0.184 0.000 0.979 84 V CB 2.358 34.296 31.823 0.191 0.000 1.039 84 V HN 0.558 nan 8.190 nan 0.000 0.452 85 V N 4.513 124.549 119.914 0.203 0.000 2.481 85 V HA 0.597 4.722 4.120 0.008 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 33.777 31.823 0.119 0.000 0.986 85 V HN 0.602 nan 8.190 nan 0.000 0.462 86 V N 8.499 128.425 119.914 0.021 0.000 2.588 86 V HA 0.529 4.654 4.120 0.008 0.000 0.304 86 V C -2.360 173.630 176.094 -0.173 0.000 1.042 86 V CA -1.602 60.573 62.300 -0.210 0.000 0.877 86 V CB 2.344 33.717 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 -0.858 176.368 177.300 -0.124 0.000 1.249 87 P CA -0.212 62.766 63.100 -0.203 0.000 0.810 87 P CB 1.473 33.062 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 4.894 4.470 0.008 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 0.390 63.480 63.200 -0.184 0.000 1.111 88 S HN 0.348 nan 8.310 nan 0.000 0.465 89 N N 1.068 119.620 118.700 -0.245 0.000 2.444 89 N HA 0.404 5.149 4.740 0.008 0.000 0.262 89 N C 0.436 175.759 175.510 -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 39.046 38.487 -0.289 0.000 1.137 89 N HN 0.824 nan 8.380 nan 0.000 0.498 90 W N 3.057 124.194 121.300 -0.272 0.000 2.421 90 W HA -0.099 4.566 4.660 0.009 0.000 0.270 90 W C 0.918 177.425 176.519 -0.019 0.000 1.233 90 W CA 0.867 58.049 57.345 -0.273 0.000 1.226 90 W CB -0.323 28.914 29.460 -0.370 0.000 1.121 90 W HN 0.497 nan 8.180 nan 0.000 0.579 91 Q N 0.323 120.102 119.800 -0.035 0.000 2.291 91 Q HA -0.128 4.217 4.340 0.008 0.000 0.206 91 Q C 2.020 178.014 176.000 -0.010 0.000 0.976 91 Q CA 1.605 57.427 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 -1.064 118.479 119.600 -0.096 0.000 2.557 92 M HA -0.043 4.442 4.480 0.008 0.000 0.259 92 M C 0.815 177.224 176.300 0.182 0.000 1.086 92 M CA 1.370 56.633 55.300 -0.061 0.000 1.096 92 M CB -0.533 31.987 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 4.889 4.556 0.008 0.000 0.264 93 H C 1.409 176.716 175.328 -0.036 0.000 0.954 93 H CA 0.308 56.433 56.048 0.128 0.000 1.199 93 H CB 0.750 30.715 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 3.667 3.960 0.008 0.000 0.196 94 G HA3 -0.298 3.667 3.960 0.008 0.000 0.196 94 G C 0.429 175.177 174.900 -0.253 0.000 0.998 94 G CA 0.074 45.098 45.100 -0.126 0.000 0.656 94 G HN 0.337 nan 8.290 nan 0.000 0.490 95 Y N 2.297 122.594 120.300 -0.005 0.000 2.081 95 Y HA 0.132 4.687 4.550 0.008 0.000 0.280 95 Y C 1.801 177.422 175.900 -0.466 0.000 1.163 95 Y CA 1.922 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 5.225 4.640 0.008 0.000 0.304 96 D C -1.066 175.344 176.300 0.184 0.000 1.179 96 D CA -0.795 53.306 54.000 0.169 0.000 1.024 96 D CB 0.832 41.907 40.800 0.458 0.000 1.453 96 D HN 0.074 nan 8.370 nan 0.000 0.529 97 A N -0.452 122.479 122.820 0.185 0.000 2.293 97 A HA 0.728 5.053 4.320 0.008 0.000 0.302 97 A C -2.440 175.197 177.584 0.088 0.000 1.119 97 A CA -1.271 50.853 52.037 0.146 0.000 0.823 97 A CB 0.232 19.376 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 -1.078 176.415 177.300 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 32.312 31.700 -0.492 0.000 0.989 99 I N 2.985 123.809 120.570 0.424 0.000 2.378 99 I HA 0.239 4.414 4.170 0.008 0.000 0.291 99 I C -0.335 175.967 176.117 0.307 0.000 0.992 99 I CA -0.822 60.718 61.300 0.400 0.000 1.154 99 I CB 1.213 39.369 38.000 0.259 0.000 1.315 99 I HN 0.289 nan 8.210 nan 0.000 0.448 100 Y N 6.636 126.885 120.300 -0.085 0.000 2.700 100 Y HA 0.509 5.064 4.550 0.008 0.000 0.333 100 Y C -0.167 175.551 175.900 -0.302 0.000 1.036 100 Y CA -0.262 57.432 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 4.462 118.457 114.554 -0.931 0.000 2.887 101 T HA 0.266 4.621 4.350 0.008 0.000 0.288 101 T C 0.370 174.595 174.700 -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 2.076 120.384 118.700 -0.653 0.000 2.272 102 N HA 0.035 4.780 4.740 0.008 0.000 0.195 102 N C 1.502 176.752 175.510 -0.434 0.000 1.048 102 N CA 0.563 53.345 53.050 -0.448 0.000 0.912 102 N CB 0.166 38.396 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 4.139 4.120 0.008 0.000 0.238 103 V C 0.562 176.348 176.094 -0.513 0.000 1.038 103 V CA 0.865 62.749 62.300 -0.694 0.000 1.032 103 V CB -0.490 30.843 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 4.366 4.350 0.008 0.000 0.283 104 T C -0.402 174.186 174.700 -0.187 0.000 0.999 104 T CA 0.499 62.463 62.100 -0.227 0.000 1.176 104 T CB -0.562 68.195 68.868 -0.184 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 4.645 4.550 0.008 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 0.250 38.613 38.460 -0.162 0.000 1.303 105 Y HN 0.528 nan 8.280 nan 0.000 0.576 106 P HA -0.179 nan 4.420 nan 0.000 0.215 106 P C 0.357 177.490 177.300 -0.280 0.000 1.153 106 P CA 1.596 64.613 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 -3.785 116.491 120.570 -0.490 0.000 3.062 107 I HA 0.400 4.575 4.170 0.008 0.000 0.316 107 I C -0.464 175.501 176.117 -0.253 0.000 1.041 107 I CA -0.931 60.069 61.300 -0.498 0.000 1.069 107 I CB 1.014 38.529 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 4.592 4.350 0.008 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 -0.075 0.000 1.126 108 T CB 0.941 69.792 68.868 -0.029 0.000 0.916 108 T HN 0.390 nan 8.240 nan 0.000 0.529 109 V N 4.675 124.576 119.914 -0.022 0.000 2.377 109 V HA 0.173 4.298 4.120 0.008 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 -0.878 30.920 31.823 -0.042 0.000 1.113 109 V HN 0.823 nan 8.190 nan 0.000 0.484 110 N N 5.508 124.303 118.700 0.157 0.000 2.700 110 N HA 0.285 5.030 4.740 0.008 0.000 0.242 110 N C -3.026 172.551 175.510 0.111 0.000 1.541 110 N CA -1.367 51.774 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 -2.332 174.706 177.300 -0.436 0.000 1.204 111 P CA -0.868 61.799 63.100 -0.721 0.000 0.768 111 P CB 0.530 31.638 31.700 -0.987 0.000 0.842 112 P HA 0.253 nan 4.420 nan 0.000 0.262 112 P C -0.542 176.601 177.300 -0.262 0.000 1.651 112 P CA -0.336 62.506 63.100 -0.430 0.000 1.119 112 P CB -0.060 31.419 31.700 -0.369 0.000 1.552 113 F N -0.426 119.640 119.950 0.194 0.000 2.382 113 F HA 0.326 4.858 4.527 0.009 0.000 0.331 113 F C 1.161 177.134 175.800 0.289 0.000 1.121 113 F CA -0.594 57.526 58.000 0.200 0.000 1.183 113 F CB 0.719 39.782 39.000 0.104 0.000 1.207 113 F HN -0.282 nan 8.300 nan 0.000 0.555 114 V N 1.747 121.942 119.914 0.468 0.000 3.046 114 V HA 0.463 4.588 4.120 0.008 0.000 0.316 114 V C -2.167 174.107 176.094 0.299 0.000 1.104 114 V CA -2.135 60.368 62.300 0.339 0.000 1.006 114 V CB 2.310 34.409 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 -0.535 114.140 114.554 0.203 0.000 2.867 116 T HA -0.111 4.244 4.350 0.008 0.000 0.268 116 T C 0.278 175.097 174.700 0.197 0.000 1.057 116 T CA 0.854 63.077 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 0.196 0.000 1.932 117 E HA 0.391 4.746 4.350 0.008 0.000 0.275 117 E C -0.555 176.206 176.600 0.268 0.000 1.159 117 E CA -0.256 56.263 56.400 0.198 0.000 0.905 117 E CB 0.076 29.895 29.700 0.198 0.000 1.059 117 E HN 0.348 nan 8.360 nan 0.000 0.400 118 N N 3.517 122.328 118.700 0.185 0.000 2.577 118 N HA 0.246 4.991 4.740 0.008 0.000 0.275 118 N C -2.855 172.633 175.510 -0.037 0.000 1.091 118 N CA -2.704 50.461 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 0.535 63.504 63.100 -0.219 0.000 0.806 119 P CB -0.016 31.830 31.700 0.243 0.000 0.775 120 T N 2.814 117.040 114.554 -0.547 0.000 2.829 120 T HA 0.598 4.953 4.350 0.008 0.000 0.282 120 T C 0.536 174.798 174.700 -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 4.473 3.960 0.008 0.000 0.310 121 G HA3 0.508 4.473 3.960 0.008 0.000 0.310 121 G C -0.581 174.130 174.900 -0.315 0.000 1.328 121 G CA -0.436 44.253 45.100 -0.685 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 2.251 122 C HA 0.557 5.022 4.460 0.008 0.000 0.323 122 C C -0.588 174.380 174.990 -0.036 0.000 1.241 122 C CA -0.958 57.781 59.018 -0.465 0.000 1.601 122 C CB -1.342 25.611 27.740 -1.312 0.000 2.251 122 C HN 0.629 nan 8.230 nan 0.000 0.488 123 Y N 1.803 122.381 120.300 0.464 0.000 2.457 123 Y HA 0.663 5.218 4.550 0.008 0.000 0.333 123 Y C 0.782 177.152 175.900 0.783 0.000 1.119 123 Y CA -0.251 58.254 58.100 0.675 0.000 1.143 123 Y CB 1.538 40.398 38.460 0.665 0.000 1.230 123 Y HN 0.710 nan 8.280 nan 0.000 0.469 124 S N 2.015 118.221 115.700 0.842 0.000 2.550 124 S HA 0.805 5.280 4.470 0.008 0.000 0.270 124 S C -1.915 172.716 174.600 0.050 0.000 1.145 124 S CA -0.796 57.662 58.200 0.430 0.000 0.852 124 S CB 2.046 65.437 63.200 0.318 0.000 1.119 124 S HN 0.651 nan 8.310 nan 0.000 0.465 125 L N 1.051 122.149 121.223 -0.208 0.000 2.526 125 L HA 0.712 5.057 4.340 0.008 0.000 0.263 125 L C -1.162 175.656 176.870 -0.085 0.000 0.943 125 L CA 0.128 54.681 54.840 -0.478 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 5.478 120.004 114.554 -0.047 0.000 2.771 126 T HA 0.783 5.138 4.350 0.008 0.000 0.281 126 T C -0.860 173.896 174.700 0.094 0.000 0.982 126 T CA -0.042 62.067 62.100 0.014 0.000 0.978 126 T CB 0.464 69.305 68.868 -0.046 0.000 0.930 126 T HN 0.480 nan 8.240 nan 0.000 0.447 127 F N 0.423 120.293 119.950 -0.133 0.000 2.741 127 F HA 0.675 5.207 4.527 0.008 0.000 0.313 127 F C -1.304 174.435 175.800 -0.101 0.000 1.153 127 F CA -1.549 56.376 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 0.523 119.179 118.700 -0.073 0.000 2.421 128 N HA 0.631 5.376 4.740 0.008 0.000 0.285 128 N C -1.531 173.914 175.510 -0.108 0.000 1.027 128 N CA -0.680 52.275 53.050 -0.159 0.000 0.918 128 N CB 2.216 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 1.146 120.956 119.914 -0.172 0.000 2.459 129 V HA 0.229 4.354 4.120 0.008 0.000 0.295 129 V C -0.297 175.690 176.094 -0.179 0.000 1.029 129 V CA -0.853 61.359 62.300 -0.146 0.000 0.874 129 V CB 1.634 33.444 31.823 -0.022 0.000 0.985 129 V HN 0.650 nan 8.190 nan 0.000 0.438 130 D N 3.027 123.239 120.400 -0.313 0.000 2.383 130 D HA 0.060 4.705 4.640 0.008 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 1.950 122.126 120.200 -0.039 0.000 2.208 131 E HA -0.350 4.005 4.350 0.008 0.000 0.202 131 E C 1.377 178.015 176.600 0.063 0.000 1.014 131 E CA 1.709 58.117 56.400 0.014 0.000 0.819 131 E CB -0.361 29.342 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 -0.180 4.295 4.470 0.008 0.000 0.228 132 S C 1.550 176.250 174.600 0.168 0.000 1.027 132 S CA 0.907 59.182 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 1.727 122.900 121.300 -0.212 0.000 2.392 133 W HA 0.170 4.835 4.660 0.008 0.000 0.279 133 W C 1.465 177.950 176.519 -0.057 0.000 1.225 133 W CA 0.099 57.227 57.345 -0.362 0.000 1.233 133 W CB -0.673 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 -1.120 120.228 121.223 0.207 0.000 2.529 134 L HA 0.098 4.443 4.340 0.008 0.000 0.223 134 L C 2.032 178.972 176.870 0.116 0.000 1.113 134 L CA 0.730 55.666 54.840 0.160 0.000 0.861 134 L CB -1.735 40.404 42.059 0.133 0.000 1.012 134 L HN -0.157 nan 8.230 nan 0.000 0.461 135 Q N 0.847 120.708 119.800 0.103 0.000 1.993 135 Q HA -0.057 4.288 4.340 0.008 0.000 0.202 135 Q C 0.674 176.725 176.000 0.085 0.000 0.984 135 Q CA 1.592 57.442 55.803 0.079 0.000 0.837 135 Q CB 0.227 29.006 28.738 0.067 0.000 0.902 135 Q HN 0.661 nan 8.270 nan 0.000 0.423 136 E N -2.545 117.723 120.200 0.113 0.000 2.446 136 E HA 0.578 4.933 4.350 0.008 0.000 0.267 136 E C 0.160 176.865 176.600 0.174 0.000 0.955 136 E CA -0.593 55.873 56.400 0.110 0.000 0.842 136 E CB 0.535 30.285 29.700 0.083 0.000 1.504 136 E HN 0.267 nan 8.360 nan 0.000 0.438 137 G N 0.574 109.401 108.800 0.046 0.000 2.750 137 G HA2 -0.237 3.728 3.960 0.008 0.000 0.228 137 G HA3 -0.237 3.728 3.960 0.008 0.000 0.228 137 G C -0.685 174.154 174.900 -0.101 0.000 1.367 137 G CA 0.166 45.187 45.100 -0.133 0.000 0.871 137 G HN 0.745 nan 8.290 nan 0.000 0.560 138 Q N -0.658 118.962 119.800 -0.301 0.000 2.353 138 Q HA 0.680 5.025 4.340 0.008 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 1.900 30.582 28.738 -0.094 0.000 1.305 138 Q HN 0.605 nan 8.270 nan 0.000 0.447 139 T N 4.729 119.336 114.554 0.089 0.000 2.772 139 T HA 0.500 4.855 4.350 0.008 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 0.517 69.623 68.868 0.397 0.000 0.933 139 T HN 0.677 nan 8.240 nan 0.000 0.447 140 R N 2.725 123.308 120.500 0.139 0.000 2.888 140 R HA 0.808 5.153 4.340 0.008 0.000 0.266 140 R C -1.234 175.157 176.300 0.151 0.000 1.020 140 R CA -1.032 55.158 56.100 0.150 0.000 0.963 140 R CB 1.591 31.956 30.300 0.109 0.000 1.197 140 R HN 0.534 nan 8.270 nan 0.000 0.481 141 I N 2.021 122.696 120.570 0.175 0.000 2.562 141 I HA 0.511 4.686 4.170 0.008 0.000 0.301 141 I C -1.112 175.079 176.117 0.123 0.000 1.003 141 I CA -1.328 60.040 61.300 0.114 0.000 1.127 141 I CB 1.468 39.544 38.000 0.127 0.000 1.304 141 I HN 0.602 nan 8.210 nan 0.000 0.446 142 I N 6.670 127.189 120.570 -0.086 0.000 2.533 142 I HA 0.325 4.500 4.170 0.008 0.000 0.290 142 I C -1.500 174.452 176.117 -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 39.784 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 4.869 4.527 0.008 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 0.927 39.787 39.000 -0.233 0.000 1.165 143 F HN 0.389 nan 8.300 nan 0.000 0.442 144 D N 2.235 122.558 120.400 -0.127 0.000 2.371 144 D HA 0.147 4.792 4.640 0.008 0.000 0.221 144 D C 0.878 176.999 176.300 -0.298 0.000 0.986 144 D CA 0.801 54.673 54.000 -0.214 0.000 0.899 144 D CB 0.433 41.052 40.800 -0.302 0.000 0.902 144 D HN 0.702 nan 8.370 nan 0.000 0.530 145 G N -0.383 108.190 108.800 -0.380 0.000 1.984 145 G HA2 0.348 4.313 3.960 0.008 0.000 0.313 145 G HA3 0.348 4.313 3.960 0.008 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 2.631 122.444 119.914 -0.168 0.000 2.483 146 V HA 0.613 4.738 4.120 0.008 0.000 0.297 146 V C -0.690 175.482 176.094 0.130 0.000 1.027 146 V CA -1.111 61.110 62.300 -0.131 0.000 0.855 146 V CB 1.944 33.409 31.823 -0.598 0.000 0.995 146 V HN 0.725 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 5.061 4.740 0.008 0.000 0.280 147 N C 0.568 176.037 175.510 -0.069 0.000 1.008 147 N CA 0.171 53.246 53.050 0.042 0.000 0.894 147 N CB 2.320 40.719 38.487 -0.146 0.000 1.273 147 N HN 0.597 nan 8.380 nan 0.000 0.486 148 S N 2.271 117.956 115.700 -0.026 0.000 2.497 148 S HA 0.541 5.016 4.470 0.008 0.000 0.218 148 S C 0.323 174.987 174.600 0.107 0.000 1.023 148 S CA 0.441 58.671 58.200 0.051 0.000 0.913 148 S CB 0.127 63.371 63.200 0.072 0.000 0.800 148 S HN 0.730 nan 8.310 nan 0.000 0.505 149 A N 0.463 123.362 122.820 0.132 0.000 2.610 149 A HA 0.761 5.086 4.320 0.008 0.000 0.291 149 A C -1.307 176.401 177.584 0.207 0.000 1.086 149 A CA -0.843 51.242 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 5.260 4.527 0.008 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 -0.101 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 1.590 120.822 119.070 0.269 0.000 2.573 151 H HA 0.799 5.360 4.556 0.008 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 0.130 0.000 1.205 151 H CB 2.433 32.334 29.762 0.230 0.000 1.605 151 H HN 0.844 nan 8.280 nan 0.000 0.525 152 L N 2.181 123.254 121.223 -0.250 0.000 2.431 152 L HA 0.414 4.759 4.340 0.008 0.000 0.266 152 L C -1.770 174.799 176.870 -0.502 0.000 0.978 152 L CA -0.472 54.230 54.840 -0.230 0.000 0.822 152 L CB 1.719 43.522 42.059 -0.426 0.000 1.310 152 L HN 0.497 nan 8.230 nan 0.000 0.409 153 W N 4.210 125.477 121.300 -0.054 0.000 2.844 153 W HA 0.651 5.316 4.660 0.009 0.000 0.340 153 W C -1.146 175.322 176.519 -0.086 0.000 1.093 153 W CA -0.801 56.500 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 4.757 4.460 0.008 0.000 0.338 154 C C 0.018 175.136 174.990 0.213 0.000 1.132 154 C CA -0.444 58.659 59.018 0.142 0.000 1.310 154 C CB -0.364 27.402 27.740 0.044 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 4.559 4.740 0.008 0.000 0.251 155 N C 1.009 176.586 175.510 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 3.574 3.960 0.008 0.000 0.264 156 G HA3 -0.391 3.574 3.960 0.008 0.000 0.264 156 G C 0.228 175.293 174.900 0.276 0.000 0.975 156 G CA 0.819 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 -1.210 119.527 120.500 0.395 0.000 2.474 157 R HA 0.464 4.809 4.340 0.008 0.000 0.295 157 R C -0.237 176.382 176.300 0.532 0.000 0.980 157 R CA -0.891 55.521 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 3.474 124.897 121.300 0.206 0.000 2.303 158 W HA 0.130 4.795 4.660 0.008 0.000 0.318 158 W C 0.038 176.371 176.519 -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 -0.468 0.000 1.248 158 W HN 0.333 nan 8.180 nan 0.000 0.546 159 V N 5.507 124.637 119.914 -1.307 0.000 2.690 159 V HA 0.520 4.645 4.120 0.008 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 -1.304 0.000 1.102 159 V CB -0.557 30.583 31.823 -1.139 0.000 0.800 159 V HN 0.815 nan 8.190 nan 0.000 0.479 160 G N -1.771 105.774 108.800 -2.092 0.000 2.320 160 G HA2 0.434 4.399 3.960 0.008 0.000 0.296 160 G HA3 0.434 4.399 3.960 0.008 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 -0.016 nan 8.290 nan 0.000 0.517 161 Y N -0.379 119.688 120.300 -0.388 0.000 2.553 161 Y HA 0.760 5.314 4.550 0.008 0.000 0.347 161 Y C 0.044 175.705 175.900 -0.399 0.000 1.019 161 Y CA -0.103 57.726 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 3.568 111.511 108.800 -1.429 0.000 2.742 162 G HA2 0.546 4.511 3.960 0.008 0.000 0.296 162 G HA3 0.546 4.511 3.960 0.008 0.000 0.296 162 G C -2.173 172.231 174.900 -0.826 0.000 1.436 162 G CA -0.953 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 0.063 119.629 119.800 -0.391 0.000 2.495 163 Q HA 0.670 5.015 4.340 0.008 0.000 0.283 163 Q C -1.184 174.799 176.000 -0.029 0.000 1.097 163 Q CA -0.914 54.791 55.803 -0.163 0.000 0.836 163 Q CB 2.448 31.143 28.738 -0.071 0.000 1.426 163 Q HN 0.567 nan 8.270 nan 0.000 0.459 164 D N -0.332 120.092 120.400 0.040 0.000 4.150 164 D HA -0.095 4.550 4.640 0.008 0.000 0.231 164 D C -0.347 176.008 176.300 0.092 0.000 1.129 164 D CA 0.394 54.435 54.000 0.068 0.000 1.005 164 D CB -0.591 40.235 40.800 0.044 0.000 0.691 164 D HN 0.562 nan 8.370 nan 0.000 0.320 165 S N 2.693 118.462 115.700 0.116 0.000 2.419 165 S HA -0.153 4.322 4.470 0.008 0.000 0.235 165 S C 1.586 176.308 174.600 0.203 0.000 1.019 165 S CA 0.852 59.151 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 0.478 nan 8.310 nan 0.000 0.490 166 R N 0.289 120.874 120.500 0.141 0.000 2.393 166 R HA 0.436 4.781 4.340 0.008 0.000 0.244 166 R C -0.108 176.248 176.300 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 1.005 122.256 121.223 0.047 0.000 2.327 167 L HA 0.529 4.874 4.340 0.008 0.000 0.258 167 L C -2.427 174.420 176.870 -0.038 0.000 1.024 167 L CA -2.472 52.367 54.840 -0.003 0.000 0.825 167 L CB 2.633 44.684 42.059 -0.014 0.000 1.386 167 L HN -0.220 nan 8.230 nan 0.000 0.417 168 P HA 0.168 nan 4.420 nan 0.000 0.275 168 P C -1.330 175.933 177.300 -0.061 0.000 1.227 168 P CA -0.341 62.717 63.100 -0.069 0.000 0.781 168 P CB 0.950 32.574 31.700 -0.126 0.000 0.906 169 S N 1.623 117.336 115.700 0.022 0.000 2.473 169 S HA 0.467 4.942 4.470 0.008 0.000 0.307 169 S C -0.510 174.044 174.600 -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 1.501 121.449 120.200 -0.419 0.000 2.248 170 E HA 0.577 4.932 4.350 0.008 0.000 0.267 170 E C -1.523 174.708 176.600 -0.614 0.000 0.877 170 E CA -0.561 55.674 56.400 -0.274 0.000 0.759 170 E CB 1.649 31.297 29.700 -0.085 0.000 1.182 170 E HN 0.492 nan 8.360 nan 0.000 0.418 171 F N 0.524 120.542 119.950 0.114 0.000 2.576 171 F HA 0.239 4.772 4.527 0.009 0.000 0.313 171 F C 0.042 175.876 175.800 0.056 0.000 1.078 171 F CA -1.164 56.863 58.000 0.044 0.000 0.921 171 F CB 1.422 40.408 39.000 -0.023 0.000 1.232 171 F HN 0.261 nan 8.300 nan 0.000 0.459 172 D N 2.420 122.962 120.400 0.237 0.000 2.316 172 D HA 0.248 4.893 4.640 0.008 0.000 0.245 172 D C 0.278 176.718 176.300 0.233 0.000 1.171 172 D CA 0.224 54.341 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 2.790 124.159 121.223 0.244 0.000 2.640 173 L HA 0.021 4.366 4.340 0.008 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 1.234 117.125 115.700 0.318 0.000 2.399 174 S HA -0.292 4.183 4.470 0.008 0.000 0.235 174 S C 1.724 176.448 174.600 0.206 0.000 1.063 174 S CA 2.043 60.387 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 -1.215 121.725 122.820 0.200 0.000 2.460 175 A HA 0.505 4.830 4.320 0.008 0.000 0.258 175 A C 0.866 178.294 177.584 -0.260 0.000 1.300 175 A CA -0.214 51.792 52.037 -0.050 0.000 0.913 175 A CB -0.172 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 4.901 4.527 0.008 0.000 0.310 176 F C 0.647 176.487 175.800 0.067 0.000 1.097 176 F CA -0.297 57.746 58.000 0.072 0.000 1.238 176 F CB 0.152 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 2.537 123.931 121.223 0.286 0.000 2.417 177 L HA 0.350 4.695 4.340 0.008 0.000 0.268 177 L C 0.350 177.275 176.870 0.091 0.000 1.158 177 L CA -0.267 54.681 54.840 0.180 0.000 0.819 177 L CB 0.748 42.935 42.059 0.214 0.000 1.112 177 L HN 0.128 nan 8.230 nan 0.000 0.458 178 R N 2.336 122.854 120.500 0.031 0.000 2.807 178 R HA 0.799 5.144 4.340 0.008 0.000 0.276 178 R C -0.938 175.343 176.300 -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 1.416 124.222 122.820 -0.024 0.000 2.440 179 A HA 0.522 4.847 4.320 0.008 0.000 0.251 179 A C 1.141 178.680 177.584 -0.075 0.000 1.089 179 A CA 0.818 52.832 52.037 -0.039 0.000 0.779 179 A CB -0.331 18.657 19.000 -0.020 0.000 1.022 179 A HN 1.278 nan 8.150 nan 0.000 0.492 180 G N 1.286 110.026 108.800 -0.100 0.000 2.728 180 G HA2 -0.233 3.732 3.960 0.008 0.000 0.269 180 G HA3 -0.233 3.732 3.960 0.008 0.000 0.269 180 G C 0.202 174.985 174.900 -0.196 0.000 1.334 180 G CA 0.433 45.459 45.100 -0.124 0.000 0.974 180 G HN 1.071 nan 8.290 nan 0.000 0.550 181 E N 2.031 122.119 120.200 -0.187 0.000 2.152 181 E HA 0.434 4.789 4.350 0.008 0.000 0.285 181 E C -0.308 176.102 176.600 -0.317 0.000 1.043 181 E CA -0.390 55.859 56.400 -0.252 0.000 0.839 181 E CB 0.138 29.736 29.700 -0.170 0.000 1.069 181 E HN 0.397 nan 8.360 nan 0.000 0.399 182 N N 3.339 121.690 118.700 -0.583 0.000 2.328 182 N HA 0.423 5.168 4.740 0.008 0.000 0.299 182 N C -0.995 174.158 175.510 -0.596 0.000 1.179 182 N CA -0.646 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 1.440 121.813 120.500 -0.212 0.000 2.574 183 R HA 0.486 4.831 4.340 0.008 0.000 0.288 183 R C -1.406 174.976 176.300 0.136 0.000 1.004 183 R CA -0.503 55.596 56.100 -0.002 0.000 0.895 183 R CB 1.296 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 2.732 124.074 121.223 0.197 0.000 2.317 184 L HA 0.719 5.064 4.340 0.008 0.000 0.281 184 L C -0.362 176.584 176.870 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 44.195 42.059 0.212 0.000 1.240 184 L HN 0.706 nan 8.230 nan 0.000 0.427 185 A N 3.419 126.313 122.820 0.124 0.000 2.332 185 A HA 0.729 5.054 4.320 0.008 0.000 0.300 185 A C -0.999 176.859 177.584 0.457 0.000 1.153 185 A CA -0.443 51.594 52.037 -0.000 0.000 0.764 185 A CB 1.403 19.832 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 4.678 4.120 0.008 0.000 0.288 186 V C -0.057 176.552 176.094 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 33.321 31.823 0.546 0.000 0.994 186 V HN 0.994 nan 8.190 nan 0.000 0.431 187 M N 6.161 126.249 119.600 0.814 0.000 2.072 187 M HA 0.744 5.229 4.480 0.008 0.000 0.331 187 M C -1.469 175.092 176.300 0.436 0.000 1.004 187 M CA -0.175 55.455 55.300 0.550 0.000 0.952 187 M CB 1.615 34.450 32.600 0.392 0.000 1.511 187 M HN 0.259 nan 8.290 nan 0.000 0.422 188 V N 6.068 126.202 119.914 0.367 0.000 2.350 188 V HA 0.418 4.543 4.120 0.008 0.000 0.276 188 V C -0.062 176.192 176.094 0.266 0.000 1.028 188 V CA -0.572 61.938 62.300 0.350 0.000 0.860 188 V CB 0.963 33.058 31.823 0.453 0.000 0.990 188 V HN 0.873 nan 8.190 nan 0.000 0.453 189 L N 5.266 126.577 121.223 0.146 0.000 2.292 189 L HA 0.505 4.850 4.340 0.008 0.000 0.284 189 L C 1.670 178.544 176.870 0.006 0.000 1.065 189 L CA -0.300 54.545 54.840 0.010 0.000 0.806 189 L CB 1.127 43.100 42.059 -0.142 0.000 1.175 189 L HN 0.709 nan 8.230 nan 0.000 0.431 190 R N 3.062 123.504 120.500 -0.097 0.000 2.066 190 R HA -0.042 4.303 4.340 0.008 0.000 0.232 190 R C -0.292 175.739 176.300 -0.448 0.000 1.131 190 R CA 0.830 56.675 56.100 -0.426 0.000 0.955 190 R CB 0.088 30.002 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 5.077 4.660 0.008 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 1.676 31.202 29.460 0.110 0.000 1.304 191 W HN 0.150 nan 8.180 nan 0.000 0.547 192 S N -0.928 115.053 115.700 0.468 0.000 2.688 192 S HA 0.205 4.680 4.470 0.008 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 0.484 0.000 0.818 192 S CB 1.187 64.643 63.200 0.427 0.000 1.157 192 S HN 0.607 nan 8.310 nan 0.000 0.482 193 D N 0.289 120.930 120.400 0.402 0.000 2.264 193 D HA 0.080 4.725 4.640 0.008 0.000 0.208 193 D C 1.732 178.326 176.300 0.490 0.000 0.966 193 D CA 1.187 55.460 54.000 0.454 0.000 0.864 193 D CB -0.762 40.186 40.800 0.247 0.000 0.933 193 D HN 0.709 nan 8.370 nan 0.000 0.499 194 G N -0.134 108.876 108.800 0.350 0.000 2.471 194 G HA2 -0.223 3.742 3.960 0.008 0.000 0.219 194 G HA3 -0.223 3.742 3.960 0.008 0.000 0.219 194 G C 1.666 176.740 174.900 0.291 0.000 1.125 194 G CA 0.650 45.930 45.100 0.301 0.000 0.775 194 G HN 0.317 nan 8.290 nan 0.000 0.548 195 S N -0.170 115.686 115.700 0.261 0.000 2.423 195 S HA -0.055 4.420 4.470 0.008 0.000 0.231 195 S C 1.881 176.594 174.600 0.188 0.000 1.014 195 S CA 0.488 58.812 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 1.288 121.724 120.300 0.228 0.000 2.403 196 Y HA 0.018 4.572 4.550 0.008 0.000 0.291 196 Y C 1.639 177.667 175.900 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 38.196 38.460 -0.099 0.000 0.984 196 Y HN 0.194 nan 8.280 nan 0.000 0.550 197 L N -0.209 121.216 121.223 0.337 0.000 2.667 197 L HA 0.105 4.450 4.340 0.008 0.000 0.232 197 L C -0.054 176.954 176.870 0.230 0.000 1.138 197 L CA 0.410 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 4.407 4.350 0.008 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 4.688 4.640 0.008 0.000 0.250 199 D C -0.347 175.937 176.300 -0.027 0.000 1.304 199 D CA -0.223 53.709 54.000 -0.113 0.000 0.861 199 D CB 0.168 40.596 40.800 -0.619 0.000 1.062 199 D HN 0.023 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 4.494 4.340 0.008 0.000 0.255 200 Q C -0.214 175.901 176.000 0.192 0.000 0.980 200 Q CA -0.091 55.869 55.803 0.261 0.000 0.882 200 Q CB 0.715 29.752 28.738 0.499 0.000 1.249 200 Q HN 0.123 nan 8.270 nan 0.000 0.438 201 D N 3.179 123.721 120.400 0.236 0.000 2.429 201 D HA 0.177 4.822 4.640 0.008 0.000 0.253 201 D C -0.811 175.625 176.300 0.227 0.000 1.294 201 D CA 0.248 54.351 54.000 0.173 0.000 1.063 201 D CB -0.438 40.472 40.800 0.184 0.000 1.096 201 D HN 0.477 nan 8.370 nan 0.000 0.516 202 M N 0.596 120.286 119.600 0.150 0.000 2.956 202 M HA 0.354 4.839 4.480 0.008 0.000 0.272 202 M C -1.338 175.045 176.300 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 1.899 123.307 121.300 0.180 0.000 2.231 203 W HA 0.279 4.944 4.660 0.008 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 4.589 125.263 120.500 0.290 0.000 2.204 204 R HA 0.428 4.773 4.340 0.008 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 0.191 30.636 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 5.037 4.480 0.008 0.000 0.290 205 M C -0.189 175.794 176.300 -0.528 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 -1.156 114.106 115.700 -0.730 0.000 2.595 206 S HA 0.904 5.379 4.470 0.008 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 -1.101 0.000 1.107 206 S HN 1.449 nan 8.310 nan 0.000 0.461 207 G N 0.157 108.745 108.800 -0.353 0.000 2.343 207 G HA2 0.159 4.124 3.960 0.008 0.000 0.562 207 G HA3 0.159 4.124 3.960 0.008 0.000 0.562 207 G C -1.267 173.648 174.900 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 2.151 122.585 120.570 -0.228 0.000 2.227 208 I HA 0.234 4.409 4.170 0.008 0.000 0.297 208 I C 1.294 177.266 176.117 -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 37.031 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 4.933 4.527 0.008 0.000 0.302 209 F C 0.797 176.516 175.800 -0.135 0.000 1.097 209 F CA -0.529 57.356 58.000 -0.191 0.000 1.330 209 F CB 0.046 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 0.663 120.699 120.500 -0.773 0.000 2.950 210 R HA 0.287 4.632 4.340 0.008 0.000 0.253 210 R C -0.894 175.190 176.300 -0.361 0.000 1.168 210 R CA -1.078 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 0.005 nan 8.270 nan 0.000 0.487 211 D N 0.356 120.603 120.400 -0.254 0.000 2.354 211 D HA 0.221 4.866 4.640 0.008 0.000 0.238 211 D C -0.384 175.757 176.300 -0.265 0.000 1.250 211 D CA 0.063 53.937 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 0.332 120.097 119.914 -0.248 0.000 2.577 212 V HA 0.585 4.710 4.120 0.008 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 1.651 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 4.423 119.974 115.700 -0.248 0.000 2.651 213 S HA 0.784 5.259 4.470 0.008 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 -0.061 0.000 1.138 213 S HN 0.515 nan 8.310 nan 0.000 0.478 214 L N 2.057 123.296 121.223 0.026 0.000 2.385 214 L HA 0.636 4.981 4.340 0.008 0.000 0.273 214 L C -1.668 175.335 176.870 0.221 0.000 0.990 214 L CA -0.720 54.211 54.840 0.151 0.000 0.821 214 L CB 1.753 43.958 42.059 0.243 0.000 1.279 214 L HN 0.541 nan 8.230 nan 0.000 0.412 215 L N 3.101 124.420 121.223 0.159 0.000 2.385 215 L HA 0.478 4.823 4.340 0.008 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 1.708 43.789 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 5.103 4.556 0.008 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 29.395 29.762 -1.795 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 4.695 4.320 0.008 0.000 0.242 217 K C -2.627 173.607 176.600 -0.609 0.000 0.971 217 K CA -2.193 53.751 56.287 -0.573 0.000 0.834 217 K CB 1.655 33.949 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 62.855 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 -2.631 111.851 114.554 -0.119 0.000 2.942 219 T HA -0.000 4.355 4.350 0.008 0.000 0.265 219 T C 0.604 175.250 174.700 -0.090 0.000 1.062 219 T CA 1.273 63.318 62.100 -0.092 0.000 1.139 219 T CB -0.501 68.338 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 4.846 4.350 0.008 0.000 0.297 220 T C -0.350 174.287 174.700 -0.104 0.000 0.997 220 T CA -0.767 61.278 62.100 -0.092 0.000 0.949 220 T CB 0.898 69.728 68.868 -0.063 0.000 0.941 220 T HN 0.503 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 4.974 4.340 0.008 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 2.506 122.957 120.570 -0.200 0.000 2.337 222 I HA 0.066 4.241 4.170 0.008 0.000 0.291 222 I C 0.640 176.628 176.117 -0.215 0.000 1.046 222 I CA -0.150 61.049 61.300 -0.168 0.000 1.324 222 I CB 1.279 39.146 38.000 -0.221 0.000 1.409 222 I HN 0.826 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 4.609 4.470 0.008 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 -0.521 120.091 120.400 0.353 0.000 2.742 224 D HA 0.504 5.149 4.640 0.008 0.000 0.262 224 D C -1.898 174.643 176.300 0.402 0.000 1.240 224 D CA -0.817 53.431 54.000 0.413 0.000 0.752 224 D CB 1.313 42.239 40.800 0.210 0.000 1.290 224 D HN 0.199 nan 8.370 nan 0.000 0.420 225 F N -0.756 119.296 119.950 0.169 0.000 2.688 225 F HA 0.670 5.202 4.527 0.008 0.000 0.308 225 F C -1.592 174.327 175.800 0.198 0.000 1.117 225 F CA -0.762 57.250 58.000 0.020 0.000 0.976 225 F CB 1.224 40.264 39.000 0.066 0.000 1.291 225 F HN 0.319 nan 8.300 nan 0.000 0.439 226 H N 0.951 120.046 119.070 0.042 0.000 2.821 226 H HA 0.805 5.366 4.556 0.008 0.000 0.373 226 H C -1.388 173.960 175.328 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 0.986 120.985 119.914 0.142 0.000 2.769 227 V HA 0.825 4.950 4.120 0.008 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 1.935 124.713 122.820 -0.070 0.000 2.589 228 A HA 0.850 5.175 4.320 0.008 0.000 0.296 228 A C -0.542 176.931 177.584 -0.184 0.000 1.062 228 A CA -0.269 51.707 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 1.003 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 5.094 4.350 0.008 0.000 0.291 229 T C -0.484 173.967 174.700 -0.416 0.000 0.990 229 T CA -0.634 61.248 62.100 -0.363 0.000 0.976 229 T CB 1.014 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 1.975 122.207 120.500 -0.447 0.000 2.668 230 R HA 0.798 5.143 4.340 0.008 0.000 0.279 230 R C -0.954 174.900 176.300 -0.742 0.000 0.976 230 R CA -0.697 55.160 56.100 -0.405 0.000 0.978 230 R CB 1.273 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 0.145 120.098 119.950 0.004 0.000 2.631 231 F HA 0.383 4.915 4.527 0.007 0.000 0.328 231 F C 0.537 176.217 175.800 -0.200 0.000 1.067 231 F CA -1.061 56.885 58.000 -0.088 0.000 0.969 231 F CB 1.133 39.995 39.000 -0.230 0.000 1.332 231 F HN 0.537 nan 8.300 nan 0.000 0.490 232 N N 0.110 118.798 118.700 -0.021 0.000 2.491 232 N HA 0.078 4.823 4.740 0.008 0.000 0.279 232 N C 0.461 175.827 175.510 -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 -0.433 119.875 120.400 -0.154 0.000 2.172 233 D HA -0.271 4.374 4.640 0.008 0.000 0.196 233 D C 0.320 176.510 176.300 -0.183 0.000 0.999 233 D CA 1.938 55.845 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 -2.074 118.262 120.400 -0.106 0.000 2.440 234 D HA 0.050 4.695 4.640 0.008 0.000 0.216 234 D C 0.321 176.746 176.300 0.208 0.000 1.150 234 D CA -0.796 53.244 54.000 0.066 0.000 0.832 234 D CB -1.066 39.790 40.800 0.093 0.000 0.992 234 D HN 0.254 nan 8.370 nan 0.000 0.502 235 F N 0.284 120.279 119.950 0.074 0.000 2.953 235 F HA -0.307 4.225 4.527 0.008 0.000 0.292 235 F C 1.649 177.507 175.800 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 -0.247 115.560 115.700 0.178 0.000 2.527 236 S HA 0.106 4.581 4.470 0.008 0.000 0.222 236 S C 0.658 175.314 174.600 0.094 0.000 0.985 236 S CA 0.269 58.541 58.200 0.121 0.000 0.921 236 S CB 0.120 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 0.834 5.179 4.340 0.008 0.000 0.278 237 R C -1.316 175.034 176.300 0.083 0.000 1.010 237 R CA -0.690 55.448 56.100 0.063 0.000 0.896 237 R CB 1.604 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 1.595 124.413 122.820 -0.004 0.000 2.479 238 A HA 0.774 5.099 4.320 0.008 0.000 0.296 238 A C -1.126 176.406 177.584 -0.088 0.000 1.121 238 A CA -0.811 51.160 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 1.064 120.897 119.914 -0.135 0.000 2.531 239 V HA 0.478 4.603 4.120 0.008 0.000 0.301 239 V C -0.850 175.200 176.094 -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 4.269 125.480 121.223 -0.020 0.000 2.295 240 L HA 0.622 4.967 4.340 0.008 0.000 0.285 240 L C -0.158 176.675 176.870 -0.061 0.000 1.035 240 L CA 0.461 55.262 54.840 -0.064 0.000 0.806 240 L CB 1.262 43.309 42.059 -0.021 0.000 1.214 240 L HN 0.748 nan 8.230 nan 0.000 0.426 241 E N 3.871 124.027 120.200 -0.074 0.000 2.191 241 E HA 0.709 5.064 4.350 0.008 0.000 0.263 241 E C -1.507 175.083 176.600 -0.017 0.000 0.881 241 E CA -0.816 55.558 56.400 -0.044 0.000 0.757 241 E CB 1.671 31.343 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 4.733 4.320 0.008 0.000 0.316 242 A C -0.820 176.764 177.584 -0.001 0.000 1.104 242 A CA -0.648 51.406 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 2.456 122.646 120.200 -0.015 0.000 2.176 243 E HA 0.588 4.943 4.350 0.008 0.000 0.267 243 E C -1.608 174.929 176.600 -0.105 0.000 0.893 243 E CA -0.460 55.882 56.400 -0.098 0.000 0.761 243 E CB 1.503 31.102 29.700 -0.168 0.000 1.133 243 E HN 0.395 nan 8.360 nan 0.000 0.409 244 V N 4.738 124.632 119.914 -0.034 0.000 2.604 244 V HA 0.343 4.468 4.120 0.008 0.000 0.305 244 V C -0.451 175.716 176.094 0.122 0.000 1.043 244 V CA -0.799 61.535 62.300 0.057 0.000 0.888 244 V CB 1.594 33.451 31.823 0.056 0.000 0.995 244 V HN 0.735 nan 8.190 nan 0.000 0.429 245 Q N 4.205 124.069 119.800 0.107 0.000 2.413 245 Q HA 0.891 5.235 4.340 0.008 0.000 0.276 245 Q C -0.982 175.044 176.000 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 31.652 28.738 -0.019 0.000 1.379 245 Q HN 0.794 nan 8.270 nan 0.000 0.436 246 M N -0.654 118.877 119.600 -0.115 0.000 2.690 246 M HA 0.800 5.285 4.480 0.008 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 2.498 247 C HA 1.019 5.484 4.460 0.008 0.000 0.316 247 C C 0.489 175.389 174.990 -0.151 0.000 1.209 247 C CA 0.710 59.641 59.018 -0.145 0.000 1.518 247 C CB 0.770 28.451 27.740 -0.098 0.000 2.147 247 C HN 1.343 nan 8.230 nan 0.000 0.483 248 G N 3.535 112.256 108.800 -0.132 0.000 2.331 248 G HA2 0.106 4.071 3.960 0.008 0.000 0.479 248 G HA3 0.106 4.071 3.960 0.008 0.000 0.479 248 G C -1.446 173.378 174.900 -0.127 0.000 1.262 248 G CA -0.662 44.370 45.100 -0.115 0.000 1.029 248 G HN 0.784 nan 8.290 nan 0.000 0.487 249 E N 0.066 120.203 120.200 -0.106 0.000 2.200 249 E HA 0.617 4.972 4.350 0.008 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 3.556 124.669 121.223 -0.182 0.000 2.530 250 L HA 0.182 4.527 4.340 0.008 0.000 0.273 250 L C -0.217 176.524 176.870 -0.215 0.000 1.141 250 L CA 0.047 54.757 54.840 -0.216 0.000 0.905 250 L CB 0.128 42.077 42.059 -0.183 0.000 1.202 250 L HN 0.459 nan 8.230 nan 0.000 0.473 251 R N 1.689 121.991 120.500 -0.330 0.000 2.561 251 R HA 0.155 4.500 4.340 0.008 0.000 0.297 251 R C 0.597 176.605 176.300 -0.488 0.000 0.969 251 R CA -0.681 55.126 56.100 -0.488 0.000 0.879 251 R CB 1.185 30.939 30.300 -0.910 0.000 1.178 251 R HN 0.585 nan 8.270 nan 0.000 0.445 252 D N 2.229 122.473 120.400 -0.259 0.000 2.322 252 D HA -0.271 4.374 4.640 0.008 0.000 0.210 252 D C 0.966 177.240 176.300 -0.044 0.000 0.983 252 D CA 1.411 55.350 54.000 -0.102 0.000 0.902 252 D CB -0.404 40.388 40.800 -0.013 0.000 0.905 252 D HN 0.725 nan 8.370 nan 0.000 0.483 253 Y N -0.528 119.790 120.300 0.029 0.000 2.490 253 Y HA 0.363 4.918 4.550 0.009 0.000 0.281 253 Y C 0.612 176.526 175.900 0.023 0.000 1.174 253 Y CA -0.952 57.164 58.100 0.026 0.000 1.295 253 Y CB -0.758 37.718 38.460 0.026 0.000 1.062 253 Y HN -0.159 nan 8.280 nan 0.000 0.522 254 L N 3.053 124.241 121.223 -0.058 0.000 2.380 254 L HA 0.358 4.703 4.340 0.008 0.000 0.273 254 L C 0.280 177.135 176.870 -0.025 0.000 1.138 254 L CA -0.011 54.840 54.840 0.020 0.000 0.832 254 L CB 0.585 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 2.290 122.669 120.500 -0.203 0.000 2.817 255 R HA 0.772 5.117 4.340 0.008 0.000 0.268 255 R C -1.556 174.365 176.300 -0.633 0.000 1.027 255 R CA -0.887 54.947 56.100 -0.443 0.000 0.928 255 R CB 2.386 32.401 30.300 -0.475 0.000 1.228 255 R HN 0.276 nan 8.270 nan 0.000 0.469 256 V N 0.671 120.261 119.914 -0.540 0.000 2.760 256 V HA 0.474 4.599 4.120 0.008 0.000 0.309 256 V C -0.607 175.397 176.094 -0.149 0.000 1.077 256 V CA -0.628 61.448 62.300 -0.372 0.000 0.910 256 V CB 2.380 33.943 31.823 -0.434 0.000 1.008 256 V HN 0.768 nan 8.190 nan 0.000 0.424 257 T N 3.562 118.127 114.554 0.018 0.000 2.841 257 T HA 0.626 4.981 4.350 0.008 0.000 0.285 257 T C -0.789 173.924 174.700 0.022 0.000 0.991 257 T CA -0.419 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 3.805 123.717 119.914 -0.004 0.000 2.409 258 V HA 0.668 4.793 4.120 0.008 0.000 0.291 258 V C -0.234 175.865 176.094 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 5.316 4.470 0.008 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 2.275 65.548 63.200 0.122 0.000 1.048 259 S HN 0.499 nan 8.310 nan 0.000 0.483 260 L N 2.499 123.616 121.223 -0.177 0.000 2.325 260 L HA 0.729 5.074 4.340 0.008 0.000 0.281 260 L C -1.918 174.785 176.870 -0.279 0.000 1.004 260 L CA -0.307 54.510 54.840 -0.039 0.000 0.823 260 L CB 0.576 42.657 42.059 0.037 0.000 1.236 260 L HN 0.859 nan 8.230 nan 0.000 0.415 261 W N 3.501 124.895 121.300 0.157 0.000 2.627 261 W HA 0.612 5.277 4.660 0.008 0.000 0.339 261 W C -0.359 176.233 176.519 0.122 0.000 1.058 261 W CA -0.475 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 0.453 nan 8.180 nan 0.000 0.541 262 Q N 2.492 122.445 119.800 0.255 0.000 2.674 262 Q HA 0.489 4.834 4.340 0.008 0.000 0.249 262 Q C 0.560 176.601 176.000 0.068 0.000 1.011 262 Q CA 0.530 56.339 55.803 0.011 0.000 0.734 262 Q CB 0.435 29.052 28.738 -0.202 0.000 1.201 262 Q HN 0.794 nan 8.270 nan 0.000 0.498 263 G N 2.743 111.600 108.800 0.094 0.000 2.728 263 G HA2 -0.282 3.683 3.960 0.008 0.000 0.269 263 G HA3 -0.282 3.683 3.960 0.008 0.000 0.269 263 G C 0.417 175.398 174.900 0.135 0.000 1.334 263 G CA 0.242 45.385 45.100 0.071 0.000 0.974 263 G HN 0.530 nan 8.290 nan 0.000 0.550 264 E N 0.932 121.222 120.200 0.150 0.000 2.473 264 E HA 0.205 4.560 4.350 0.008 0.000 0.204 264 E C 0.669 177.490 176.600 0.368 0.000 0.994 264 E CA 0.673 57.178 56.400 0.175 0.000 0.945 264 E CB 0.546 30.297 29.700 0.086 0.000 0.990 264 E HN 0.388 nan 8.360 nan 0.000 0.493 265 T N 2.449 117.180 114.554 0.295 0.000 2.729 265 T HA 0.122 4.477 4.350 0.008 0.000 0.296 265 T C 0.173 174.915 174.700 0.068 0.000 0.928 265 T CA -0.134 62.076 62.100 0.184 0.000 1.045 265 T CB 0.991 69.905 68.868 0.077 0.000 0.902 265 T HN 0.038 nan 8.240 nan 0.000 0.500 266 Q N 3.450 123.075 119.800 -0.293 0.000 2.286 266 Q HA 0.289 4.634 4.340 0.008 0.000 0.257 266 Q C -0.101 175.632 176.000 -0.445 0.000 0.941 266 Q CA -0.470 54.746 55.803 -0.978 0.000 0.912 266 Q CB 0.835 28.663 28.738 -1.516 0.000 1.192 266 Q HN 0.458 nan 8.270 nan 0.000 0.410 267 V N 2.580 122.271 119.914 -0.372 0.000 3.085 267 V HA 0.399 4.524 4.120 0.008 0.000 0.245 267 V C 0.220 176.223 176.094 -0.151 0.000 1.114 267 V CA 0.910 63.120 62.300 -0.150 0.000 1.108 267 V CB 0.570 32.401 31.823 0.012 0.000 0.798 267 V HN 0.847 nan 8.190 nan 0.000 0.471 268 A N -0.572 122.120 122.820 -0.212 0.000 2.605 268 A HA 0.762 5.087 4.320 0.008 0.000 0.294 268 A C -0.751 176.721 177.584 -0.187 0.000 1.062 268 A CA 0.204 52.147 52.037 -0.157 0.000 0.682 268 A CB 1.848 20.794 19.000 -0.089 0.000 1.278 268 A HN 0.228 nan 8.150 nan 0.000 0.410 269 S N 0.140 115.761 115.700 -0.132 0.000 2.541 269 S HA 0.873 5.348 4.470 0.008 0.000 0.271 269 S C -0.425 174.140 174.600 -0.059 0.000 1.133 269 S CA 0.206 58.348 58.200 -0.097 0.000 0.876 269 S CB 1.728 64.870 63.200 -0.096 0.000 1.105 269 S HN 2.368 nan 8.310 nan 0.000 0.470 270 G N 1.517 110.294 108.800 -0.039 0.000 2.719 270 G HA2 0.632 4.597 3.960 0.008 0.000 0.298 270 G HA3 0.632 4.597 3.960 0.008 0.000 0.298 270 G C -1.341 173.544 174.900 -0.024 0.000 1.411 270 G CA -0.540 44.538 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 5.218 4.350 0.008 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 1.561 nan 8.240 nan 0.000 0.448 272 A N 3.639 126.385 122.820 -0.123 0.000 2.586 272 A HA 0.944 5.269 4.320 0.008 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 1.319 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 -0.804 176.335 177.300 -0.269 0.000 1.290 273 P CA -0.610 62.351 63.100 -0.233 0.000 0.889 273 P CB 0.640 32.293 31.700 -0.078 0.000 1.190 274 F N 0.362 120.270 119.950 -0.070 0.000 2.545 274 F HA 0.420 4.952 4.527 0.008 0.000 0.348 274 F C 1.555 177.335 175.800 -0.033 0.000 1.163 274 F CA 1.799 59.766 58.000 -0.054 0.000 1.331 274 F CB 0.018 38.978 39.000 -0.066 0.000 1.138 274 F HN 0.592 nan 8.300 nan 0.000 0.602 275 G N 1.749 110.677 108.800 0.213 0.000 2.951 275 G HA2 0.338 4.303 3.960 0.008 0.000 0.508 275 G HA3 0.338 4.303 3.960 0.008 0.000 0.508 275 G C -0.443 174.509 174.900 0.085 0.000 1.203 275 G CA -0.772 44.403 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 0.663 4.628 3.960 0.008 0.000 0.281 276 G HA3 0.663 4.628 3.960 0.008 0.000 0.281 276 G C 0.247 175.185 174.900 0.063 0.000 1.236 276 G CA -0.357 44.799 45.100 0.093 0.000 0.969 276 G HN 0.819 nan 8.290 nan 0.000 0.504 277 E N -0.782 119.450 120.200 0.053 0.000 2.392 277 E HA 0.254 4.609 4.350 0.008 0.000 0.256 277 E C 0.111 176.731 176.600 0.032 0.000 1.145 277 E CA -0.630 55.789 56.400 0.033 0.000 0.929 277 E CB 0.512 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 2.307 122.885 120.570 0.013 0.000 2.618 278 I HA -0.065 4.110 4.170 0.008 0.000 0.284 278 I C 1.210 177.331 176.117 0.007 0.000 1.146 278 I CA 0.127 61.427 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 2.400 122.966 120.570 -0.006 0.000 3.616 279 I HA 0.237 4.412 4.170 0.008 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 0.612 38.645 38.000 0.055 0.000 1.171 279 I HN 0.563 nan 8.210 nan 0.000 0.442 280 D N -0.030 120.354 120.400 -0.027 0.000 2.895 280 D HA 0.184 4.829 4.640 0.008 0.000 0.320 280 D C 0.371 176.653 176.300 -0.031 0.000 1.249 280 D CA -0.453 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 -0.952 119.232 120.200 -0.027 0.000 2.267 281 E HA -0.085 4.270 4.350 0.008 0.000 0.197 281 E C 1.447 178.026 176.600 -0.035 0.000 0.998 281 E CA 1.109 57.493 56.400 -0.026 0.000 0.830 281 E CB -0.055 29.634 29.700 -0.020 0.000 0.751 281 E HN 0.252 nan 8.360 nan 0.000 0.491 282 R N -0.588 119.881 120.500 -0.051 0.000 2.312 282 R HA 0.337 4.681 4.340 0.008 0.000 0.205 282 R C 1.043 177.298 176.300 -0.075 0.000 0.904 282 R CA 0.745 56.809 56.100 -0.062 0.000 1.052 282 R CB 0.759 31.014 30.300 -0.074 0.000 1.014 282 R HN 0.194 nan 8.270 nan 0.000 0.503 283 G N -0.246 108.508 108.800 -0.077 0.000 2.317 283 G HA2 -0.016 3.949 3.960 0.008 0.000 0.196 283 G HA3 -0.016 3.949 3.960 0.008 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 -1.798 106.934 108.800 -0.113 0.000 3.015 284 G HA2 0.652 4.617 3.960 0.008 0.000 0.281 284 G HA3 0.652 4.617 3.960 0.008 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 0.731 121.038 120.300 0.011 0.000 2.404 285 Y HA 0.413 4.968 4.550 0.008 0.000 0.344 285 Y C 1.401 177.316 175.900 0.024 0.000 0.995 285 Y CA 0.258 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 4.228 4.320 0.008 0.000 0.216 286 A C 1.282 178.920 177.584 0.089 0.000 1.156 286 A CA 1.065 53.153 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 -0.797 119.639 120.400 0.059 0.000 2.395 287 D HA 0.184 4.829 4.640 0.008 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 -0.119 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 -0.855 119.811 120.500 0.277 0.000 2.808 288 R HA 0.730 5.075 4.340 0.008 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 33.410 30.300 0.083 0.000 1.217 288 R HN -0.012 nan 8.270 nan 0.000 0.471 289 V N 0.467 120.460 119.914 0.132 0.000 3.048 289 V HA 0.569 4.694 4.120 0.008 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 2.734 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 7.273 121.793 114.554 -0.058 0.000 2.840 290 T HA 0.694 5.049 4.350 0.008 0.000 0.287 290 T C -0.698 173.967 174.700 -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 2.843 124.033 121.223 -0.056 0.000 2.334 291 L HA 0.714 5.059 4.340 0.008 0.000 0.270 291 L C 0.353 177.198 176.870 -0.041 0.000 1.018 291 L CA -1.076 53.731 54.840 -0.054 0.000 0.811 291 L CB 1.320 43.343 42.059 -0.062 0.000 1.271 291 L HN 0.375 nan 8.230 nan 0.000 0.443 292 R N 2.418 122.894 120.500 -0.040 0.000 2.483 292 R HA 0.636 4.981 4.340 0.008 0.000 0.303 292 R C -1.602 174.676 176.300 -0.037 0.000 0.987 292 R CA -0.639 55.439 56.100 -0.038 0.000 0.881 292 R CB 1.616 31.893 30.300 -0.038 0.000 1.177 292 R HN 0.455 nan 8.270 nan 0.000 0.451 293 L N 2.366 123.569 121.223 -0.032 0.000 2.329 293 L HA 0.476 4.821 4.340 0.008 0.000 0.279 293 L C -0.271 176.584 176.870 -0.026 0.000 1.014 293 L CA -1.078 53.744 54.840 -0.030 0.000 0.814 293 L CB 1.747 43.791 42.059 -0.025 0.000 1.257 293 L HN 0.467 nan 8.230 nan 0.000 0.424 294 N N 1.128 119.807 118.700 -0.035 0.000 2.455 294 N HA 0.512 5.257 4.740 0.008 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 1.915 121.789 119.914 -0.068 0.000 2.482 295 V HA 0.284 4.409 4.120 0.008 0.000 0.295 295 V C -0.348 175.680 176.094 -0.109 0.000 1.026 295 V CA -0.835 61.395 62.300 -0.118 0.000 0.856 295 V CB 1.562 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 3.718 123.873 120.200 -0.074 0.000 2.227 296 E HA 0.287 4.642 4.350 0.008 0.000 0.282 296 E C -0.099 176.477 176.600 -0.041 0.000 1.015 296 E CA -0.309 56.066 56.400 -0.043 0.000 0.823 296 E CB 0.871 30.555 29.700 -0.025 0.000 1.081 296 E HN 0.664 nan 8.360 nan 0.000 0.396 297 N N 2.429 121.121 118.700 -0.014 0.000 2.650 297 N HA -0.126 4.619 4.740 0.008 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 0.116 177.407 177.300 -0.014 0.000 1.228 298 P CA 0.059 63.033 63.100 -0.210 0.000 0.786 298 P CB 0.921 32.237 31.700 -0.641 0.000 0.927 299 K N 2.253 122.739 120.400 0.144 0.000 2.312 299 K HA 0.295 4.620 4.320 0.008 0.000 0.287 299 K C 0.047 176.783 176.600 0.228 0.000 1.062 299 K CA -0.380 56.004 56.287 0.161 0.000 0.934 299 K CB 0.249 32.845 32.500 0.161 0.000 1.027 299 K HN 0.436 nan 8.250 nan 0.000 0.478 300 L N 2.756 124.039 121.223 0.100 0.000 2.375 300 L HA 0.304 4.649 4.340 0.008 0.000 0.271 300 L C -0.066 176.870 176.870 0.110 0.000 1.107 300 L CA -0.831 54.068 54.840 0.099 0.000 0.806 300 L CB 0.509 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 3.353 124.670 121.300 0.029 0.000 2.376 301 W HA 0.487 5.152 4.660 0.007 0.000 0.322 301 W C 0.107 176.578 176.519 -0.079 0.000 1.160 301 W CA 0.174 57.531 57.345 0.020 0.000 1.218 301 W CB 1.335 30.856 29.460 0.101 0.000 1.205 301 W HN 0.613 nan 8.180 nan 0.000 0.559 302 S N 3.011 118.187 115.700 -0.874 0.000 2.636 302 S HA 0.621 5.096 4.470 0.008 0.000 0.268 302 S C -0.015 173.810 174.600 -1.292 0.000 1.159 302 S CA -0.314 57.436 58.200 -0.751 0.000 0.815 302 S CB 1.001 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 0.372 122.661 122.820 -0.885 0.000 2.067 303 A HA 0.154 4.479 4.320 0.008 0.000 0.217 303 A C 1.682 178.954 177.584 -0.519 0.000 1.156 303 A CA 1.204 52.685 52.037 -0.926 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 -0.771 119.263 120.200 -0.276 0.000 2.112 304 E HA 0.086 4.441 4.350 0.008 0.000 0.190 304 E C -0.368 176.120 176.600 -0.186 0.000 0.979 304 E CA 0.693 57.007 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 4.314 4.170 0.008 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 -0.006 0.000 1.714 306 P CA -0.218 62.574 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 4.786 4.740 0.008 0.000 0.265 307 N C 0.082 175.867 175.510 0.458 0.000 1.266 307 N CA 0.697 53.869 53.050 0.204 0.000 0.889 307 N CB 0.441 39.047 38.487 0.197 0.000 1.069 307 N HN 0.279 nan 8.380 nan 0.000 0.476 308 L N 2.509 123.924 121.223 0.320 0.000 2.341 308 L HA 0.496 4.841 4.340 0.008 0.000 0.267 308 L C -0.819 176.224 176.870 0.288 0.000 1.009 308 L CA -0.859 54.206 54.840 0.374 0.000 0.819 308 L CB 1.217 43.433 42.059 0.262 0.000 1.323 308 L HN 0.384 nan 8.230 nan 0.000 0.425 309 Y N 0.287 120.723 120.300 0.225 0.000 2.633 309 Y HA 0.583 5.138 4.550 0.009 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 0.984 121.721 120.500 0.395 0.000 2.445 310 R HA 0.852 5.197 4.340 0.008 0.000 0.308 310 R C -1.510 174.991 176.300 0.335 0.000 0.961 310 R CA -0.595 55.676 56.100 0.286 0.000 0.862 310 R CB 1.035 31.432 30.300 0.162 0.000 1.144 310 R HN 0.801 nan 8.270 nan 0.000 0.447 311 A N 3.958 126.916 122.820 0.229 0.000 2.318 311 A HA 0.578 4.903 4.320 0.008 0.000 0.317 311 A C -1.142 176.512 177.584 0.116 0.000 1.159 311 A CA -0.648 51.507 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 4.603 4.120 0.008 0.000 0.298 312 V C -0.398 175.686 176.094 -0.016 0.000 1.031 312 V CA -0.559 61.758 62.300 0.027 0.000 0.871 312 V CB 1.616 33.466 31.823 0.045 0.000 0.988 312 V HN 0.613 nan 8.190 nan 0.000 0.432 313 V N 4.300 124.140 119.914 -0.123 0.000 2.350 313 V HA 0.445 4.570 4.120 0.008 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 1.274 32.846 31.823 -0.418 0.000 1.000 313 V HN 0.934 nan 8.190 nan 0.000 0.433 314 E N 3.450 123.642 120.200 -0.012 0.000 2.166 314 E HA 0.551 4.906 4.350 0.008 0.000 0.275 314 E C -1.041 175.606 176.600 0.078 0.000 0.941 314 E CA -0.842 55.596 56.400 0.062 0.000 0.784 314 E CB 2.484 32.280 29.700 0.161 0.000 1.115 314 E HN 0.524 nan 8.360 nan 0.000 0.399 315 L N 5.672 126.931 121.223 0.060 0.000 2.277 315 L HA 0.315 4.660 4.340 0.008 0.000 0.284 315 L C -0.891 176.034 176.870 0.092 0.000 1.028 315 L CA -0.070 54.785 54.840 0.026 0.000 0.835 315 L CB 0.139 42.214 42.059 0.027 0.000 1.215 315 L HN 0.583 nan 8.230 nan 0.000 0.425 316 H N 1.160 120.260 119.070 0.050 0.000 2.941 316 H HA 0.690 5.251 4.556 0.008 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 1.020 30.805 29.762 0.038 0.000 1.885 316 H HN 0.493 nan 8.280 nan 0.000 0.558 317 T N -2.998 111.730 114.554 0.290 0.000 2.862 317 T HA 0.522 4.877 4.350 0.008 0.000 0.276 317 T C 1.369 176.258 174.700 0.315 0.000 0.974 317 T CA -0.252 62.020 62.100 0.288 0.000 0.966 317 T CB 1.222 70.206 68.868 0.194 0.000 1.072 317 T HN 0.760 nan 8.240 nan 0.000 0.538 318 A N 0.525 123.491 122.820 0.243 0.000 2.066 318 A HA -0.002 4.323 4.320 0.008 0.000 0.218 318 A C 1.857 179.522 177.584 0.134 0.000 1.157 318 A CA 1.169 53.324 52.037 0.198 0.000 0.670 318 A CB -0.862 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 -1.508 118.942 120.400 0.084 0.000 2.352 319 D HA 0.169 4.814 4.640 0.008 0.000 0.232 319 D C 1.131 177.446 176.300 0.025 0.000 1.055 319 D CA 0.902 54.921 54.000 0.032 0.000 0.891 319 D CB -0.313 40.481 40.800 -0.010 0.000 0.897 319 D HN 0.664 nan 8.370 nan 0.000 0.529 320 G N 0.427 109.258 108.800 0.051 0.000 2.175 320 G HA2 -0.247 3.718 3.960 0.008 0.000 0.244 320 G HA3 -0.247 3.718 3.960 0.008 0.000 0.244 320 G C 0.361 175.251 174.900 -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 1.930 116.512 114.554 0.047 0.000 2.794 321 T HA 0.493 4.848 4.350 0.008 0.000 0.296 321 T C 0.553 175.318 174.700 0.108 0.000 0.949 321 T CA -0.217 61.913 62.100 0.050 0.000 1.101 321 T CB 1.657 70.544 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 0.228 4.572 4.340 0.008 0.000 0.282 322 L C 0.707 177.630 176.870 0.089 0.000 1.092 322 L CA -0.212 54.688 54.840 0.101 0.000 0.831 322 L CB 0.661 42.755 42.059 0.060 0.000 1.159 322 L HN 0.698 nan 8.230 nan 0.000 0.442 323 I N 3.264 123.895 120.570 0.101 0.000 2.339 323 I HA -0.007 4.168 4.170 0.008 0.000 0.245 323 I C 0.800 176.938 176.117 0.034 0.000 1.096 323 I CA 0.826 62.163 61.300 0.062 0.000 1.408 323 I CB 0.188 38.222 38.000 0.056 0.000 1.092 323 I HN 0.709 nan 8.210 nan 0.000 0.423 324 E N -0.430 119.793 120.200 0.037 0.000 2.398 324 E HA 0.618 4.973 4.350 0.008 0.000 0.280 324 E C -1.836 174.782 176.600 0.030 0.000 1.122 324 E CA -0.946 55.466 56.400 0.021 0.000 0.873 324 E CB 0.970 30.644 29.700 -0.043 0.000 1.294 324 E HN -0.067 nan 8.360 nan 0.000 0.435 325 A N 1.709 124.572 122.820 0.071 0.000 2.475 325 A HA 0.730 5.055 4.320 0.008 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 -0.308 119.920 120.200 0.047 0.000 2.392 326 E HA 0.793 5.148 4.350 0.008 0.000 0.269 326 E C -0.605 176.011 176.600 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 0.021 0.000 1.292 326 E HN 1.098 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 0.794 5.119 4.320 0.008 0.000 0.290 327 A C -1.087 176.697 177.584 0.333 0.000 1.114 327 A CA -0.461 51.656 52.037 0.133 0.000 0.683 327 A CB 1.116 20.076 19.000 -0.068 0.000 1.281 327 A HN 0.878 nan 8.150 nan 0.000 0.416 328 C N -0.567 118.886 119.300 0.255 0.000 3.311 328 C HA 0.785 5.250 4.460 0.008 0.000 0.325 328 C C -1.472 173.619 174.990 0.169 0.000 1.352 328 C CA -0.930 58.236 59.018 0.246 0.000 1.308 328 C CB 1.025 28.939 27.740 0.290 0.000 1.619 328 C HN 0.816 nan 8.230 nan 0.000 0.469 329 D N 0.977 121.460 120.400 0.137 0.000 2.302 329 D HA 0.569 5.214 4.640 0.008 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 1.905 42.789 40.800 0.140 0.000 1.200 329 D HN 0.553 nan 8.370 nan 0.000 0.429 330 V N 0.723 120.717 119.914 0.135 0.000 2.604 330 V HA 0.710 4.835 4.120 0.008 0.000 0.305 330 V C 0.458 176.607 176.094 0.092 0.000 1.043 330 V CA -0.760 61.562 62.300 0.036 0.000 0.888 330 V CB 2.150 33.976 31.823 0.005 0.000 0.995 330 V HN 0.632 nan 8.190 nan 0.000 0.429 331 G N 2.701 111.450 108.800 -0.086 0.000 2.609 331 G HA2 0.634 4.599 3.960 0.008 0.000 0.308 331 G HA3 0.634 4.599 3.960 0.008 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 2.329 122.422 119.950 0.239 0.000 2.413 332 F HA 0.550 5.082 4.527 0.008 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 0.353 0.000 1.146 332 F HN 0.508 nan 8.300 nan 0.000 0.514 333 R N 1.337 122.108 120.500 0.452 0.000 2.629 333 R HA 0.474 4.819 4.340 0.008 0.000 0.266 333 R C -1.669 174.806 176.300 0.292 0.000 1.051 333 R CA -1.062 55.169 56.100 0.218 0.000 0.895 333 R CB 1.448 31.886 30.300 0.229 0.000 1.246 333 R HN 0.444 nan 8.270 nan 0.000 0.459 334 E N 1.792 122.076 120.200 0.140 0.000 2.187 334 E HA 0.493 4.848 4.350 0.008 0.000 0.268 334 E C -1.212 175.467 176.600 0.131 0.000 0.896 334 E CA -1.048 55.498 56.400 0.244 0.000 0.766 334 E CB 2.018 31.927 29.700 0.348 0.000 1.142 334 E HN 0.437 nan 8.360 nan 0.000 0.408 335 V N 4.976 124.959 119.914 0.114 0.000 2.409 335 V HA 0.590 4.715 4.120 0.008 0.000 0.291 335 V C -0.245 175.888 176.094 0.065 0.000 1.020 335 V CA -0.677 61.660 62.300 0.061 0.000 0.848 335 V CB 1.364 33.200 31.823 0.021 0.000 0.990 335 V HN 0.683 nan 8.190 nan 0.000 0.430 336 R N 3.832 124.366 120.500 0.057 0.000 2.643 336 R HA 0.637 4.982 4.340 0.008 0.000 0.269 336 R C -1.478 174.846 176.300 0.039 0.000 1.037 336 R CA -0.729 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 1.897 122.489 120.570 0.037 0.000 2.312 337 I HA 0.255 4.430 4.170 0.008 0.000 0.290 337 I C -0.333 175.804 176.117 0.032 0.000 1.008 337 I CA -0.166 61.151 61.300 0.028 0.000 1.226 337 I CB 1.513 39.531 38.000 0.029 0.000 1.371 337 I HN 0.606 nan 8.210 nan 0.000 0.468 338 E N 6.830 127.046 120.200 0.028 0.000 2.265 338 E HA 0.232 4.587 4.350 0.008 0.000 0.262 338 E C -0.225 176.389 176.600 0.022 0.000 0.889 338 E CA -0.547 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 4.532 4.740 0.008 0.000 0.248 339 N C 0.552 176.068 175.510 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 1.096 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 -0.287 3.678 3.960 0.008 0.000 0.254 340 G HA3 -0.287 3.678 3.960 0.008 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 0.159 121.379 121.223 -0.005 0.000 2.334 341 L HA 0.756 5.101 4.340 0.008 0.000 0.273 341 L C 0.106 176.968 176.870 -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 43.860 42.059 -0.014 0.000 1.278 341 L HN 0.108 nan 8.230 nan 0.000 0.431 342 L N 3.860 125.065 121.223 -0.030 0.000 2.260 342 L HA 0.480 4.825 4.340 0.008 0.000 0.289 342 L C -0.854 175.999 176.870 -0.028 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 0.378 nan 8.230 nan 0.000 0.429 343 L N 5.717 126.939 121.223 -0.001 0.000 2.346 343 L HA 0.570 4.915 4.340 0.008 0.000 0.274 343 L C -0.939 175.945 176.870 0.024 0.000 1.007 343 L CA -0.882 53.968 54.840 0.017 0.000 0.818 343 L CB 1.972 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 3.483 124.732 121.223 0.043 0.000 2.349 344 L HA 0.499 4.844 4.340 0.008 0.000 0.278 344 L C -0.223 176.691 176.870 0.073 0.000 0.996 344 L CA -0.008 54.867 54.840 0.058 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 4.516 4.740 0.008 0.000 0.252 345 N C 0.998 176.333 175.510 -0.293 0.000 1.014 345 N CA 1.340 54.095 53.050 -0.491 0.000 0.735 345 N CB -1.192 36.810 38.487 -0.809 0.000 0.924 345 N HN 1.203 nan 8.380 nan 0.000 0.540 346 G N -1.890 106.943 108.800 0.056 0.000 2.234 346 G HA2 -0.366 3.599 3.960 0.008 0.000 0.260 346 G HA3 -0.366 3.599 3.960 0.008 0.000 0.260 346 G C 0.059 175.023 174.900 0.107 0.000 0.987 346 G CA 1.031 46.230 45.100 0.166 0.000 0.625 346 G HN 0.541 nan 8.290 nan 0.000 0.532 347 K N 0.683 121.141 120.400 0.096 0.000 2.238 347 K HA 0.599 4.924 4.320 0.008 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 2.626 35.083 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 -0.228 177.026 177.300 -0.077 0.000 1.319 348 P CA -0.466 62.605 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 3.178 124.351 121.223 -0.083 0.000 2.464 349 L HA 0.264 4.609 4.340 0.008 0.000 0.264 349 L C 0.502 177.309 176.870 -0.104 0.000 1.199 349 L CA -0.421 54.360 54.840 -0.099 0.000 0.818 349 L CB 0.260 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 3.470 124.647 121.223 -0.077 0.000 2.427 350 L HA 0.404 4.749 4.340 0.008 0.000 0.264 350 L C -0.539 176.301 176.870 -0.050 0.000 0.989 350 L CA -0.322 54.464 54.840 -0.091 0.000 0.865 350 L CB 0.892 42.935 42.059 -0.028 0.000 1.209 350 L HN 0.215 nan 8.230 nan 0.000 0.430 351 I N 4.629 125.112 120.570 -0.145 0.000 2.436 351 I HA 0.182 4.357 4.170 0.008 0.000 0.289 351 I C 0.593 176.678 176.117 -0.053 0.000 1.083 351 I CA 0.238 61.463 61.300 -0.126 0.000 1.372 351 I CB 0.339 38.152 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 4.906 4.340 0.008 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 31.330 30.300 -0.128 0.000 1.130 352 R HN 0.813 nan 8.270 nan 0.000 0.558 353 G N 0.152 109.025 108.800 0.123 0.000 2.816 353 G HA2 0.666 4.631 3.960 0.008 0.000 0.288 353 G HA3 0.666 4.631 3.960 0.008 0.000 0.288 353 G C -1.528 173.621 174.900 0.416 0.000 1.334 353 G CA -0.551 44.633 45.100 0.141 0.000 0.978 353 G HN 0.266 nan 8.290 nan 0.000 0.493 354 V N -0.466 119.676 119.914 0.380 0.000 3.087 354 V HA 0.548 4.673 4.120 0.008 0.000 0.306 354 V C -1.364 174.880 176.094 0.249 0.000 1.187 354 V CA -1.208 61.246 62.300 0.258 0.000 0.999 354 V CB 2.314 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 4.001 122.770 118.700 0.114 0.000 2.479 355 N HA 0.477 5.222 4.740 0.008 0.000 0.285 355 N C -0.859 174.479 175.510 -0.286 0.000 1.075 355 N CA -0.365 52.628 53.050 -0.095 0.000 0.967 355 N CB 1.658 40.061 38.487 -0.141 0.000 1.137 355 N HN 0.689 nan 8.380 nan 0.000 0.472 356 R N 1.932 122.233 120.500 -0.331 0.000 2.574 356 R HA 0.303 4.648 4.340 0.008 0.000 0.288 356 R C -1.284 174.788 176.300 -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 -0.235 0.000 2.496 357 H HA 0.197 4.758 4.556 0.009 0.000 0.342 357 H C -0.499 174.816 175.328 -0.022 0.000 1.170 357 H CA -0.265 55.721 56.048 -0.104 0.000 1.274 357 H CB 1.560 31.313 29.762 -0.015 0.000 1.538 357 H HN 0.479 nan 8.280 nan 0.000 0.542 358 E N 1.714 122.094 120.200 0.301 0.000 1.941 358 E HA 0.088 4.443 4.350 0.008 0.000 0.275 358 E C -1.008 175.737 176.600 0.241 0.000 1.113 358 E CA -0.038 56.467 56.400 0.174 0.000 0.878 358 E CB 0.198 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 0.243 4.804 4.556 0.008 0.000 0.355 359 H C -1.584 173.783 175.328 0.064 0.000 1.079 359 H CA -0.687 55.408 56.048 0.079 0.000 1.240 359 H CB 0.985 30.780 29.762 0.055 0.000 1.701 359 H HN 0.363 nan 8.280 nan 0.000 0.527 360 H N 6.563 125.335 119.070 -0.497 0.000 2.744 360 H HA 0.203 4.764 4.556 0.008 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 2.459 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 1.315 178.514 177.300 -0.169 0.000 1.148 361 P CA 0.878 63.801 63.100 -0.295 0.000 0.822 361 P CB 0.799 32.374 31.700 -0.209 0.000 0.784 362 L N -1.832 119.412 121.223 0.036 0.000 2.200 362 L HA 0.065 4.410 4.340 0.008 0.000 0.200 362 L C 2.354 179.075 176.870 -0.248 0.000 1.072 362 L CA 0.899 55.635 54.840 -0.173 0.000 0.787 362 L CB -0.760 41.073 42.059 -0.376 0.000 0.957 362 L HN -0.009 nan 8.230 nan 0.000 0.459 363 H N -0.686 118.324 119.070 -0.100 0.000 2.539 363 H HA 0.205 4.766 4.556 0.008 0.000 0.269 363 H C 1.449 176.675 175.328 -0.170 0.000 0.980 363 H CA 0.113 56.028 56.048 -0.221 0.000 1.152 363 H CB 0.307 29.808 29.762 -0.435 0.000 1.407 363 H HN 0.424 nan 8.280 nan 0.000 0.564 364 G N 1.560 110.293 108.800 -0.112 0.000 2.557 364 G HA2 -0.400 3.565 3.960 0.008 0.000 0.292 364 G HA3 -0.400 3.565 3.960 0.008 0.000 0.292 364 G C 0.573 175.402 174.900 -0.119 0.000 1.162 364 G CA 0.414 45.393 45.100 -0.202 0.000 0.964 364 G HN 0.480 nan 8.290 nan 0.000 0.541 365 Q N -0.008 119.742 119.800 -0.083 0.000 2.189 365 Q HA 0.513 4.858 4.340 0.008 0.000 0.221 365 Q C 0.005 176.082 176.000 0.127 0.000 0.848 365 Q CA -0.211 55.581 55.803 -0.017 0.000 1.007 365 Q CB 1.388 30.027 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 4.372 4.120 0.008 0.000 0.275 366 V C 0.077 176.220 176.094 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 4.981 4.480 0.008 0.000 0.327 367 M C -0.416 175.835 176.300 -0.081 0.000 1.187 367 M CA -0.711 54.597 55.300 0.013 0.000 1.022 367 M CB 1.473 34.051 32.600 -0.038 0.000 1.629 367 M HN 0.933 nan 8.290 nan 0.000 0.461 368 D N -1.529 118.838 120.400 -0.055 0.000 2.547 368 D HA 0.266 4.911 4.640 0.008 0.000 0.231 368 D C 0.381 176.665 176.300 -0.025 0.000 1.099 368 D CA -0.706 53.261 54.000 -0.057 0.000 0.901 368 D CB 1.425 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 -0.264 119.930 120.200 -0.010 0.000 2.085 369 E HA -0.303 4.052 4.350 0.008 0.000 0.194 369 E C 1.344 177.990 176.600 0.075 0.000 0.994 369 E CA 1.384 57.807 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 0.122 119.969 119.800 0.078 0.000 2.030 370 Q HA -0.142 4.203 4.340 0.008 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 1.772 116.402 114.554 0.126 0.000 2.684 371 T HA -0.130 4.225 4.350 0.008 0.000 0.267 371 T C 2.043 176.828 174.700 0.142 0.000 1.036 371 T CA 1.536 63.723 62.100 0.144 0.000 1.148 371 T CB -0.219 68.763 68.868 0.190 0.000 0.863 371 T HN 0.210 nan 8.240 nan 0.000 0.436 372 M N 0.584 120.272 119.600 0.148 0.000 2.065 372 M HA -0.121 4.364 4.480 0.008 0.000 0.259 372 M C 2.493 178.920 176.300 0.211 0.000 1.069 372 M CA 1.464 56.928 55.300 0.273 0.000 1.110 372 M CB -0.770 32.028 32.600 0.331 0.000 1.328 372 M HN 0.098 nan 8.290 nan 0.000 0.405 373 V N 0.076 120.048 119.914 0.096 0.000 2.343 373 V HA -0.297 3.827 4.120 0.008 0.000 0.247 373 V C 2.327 178.406 176.094 -0.025 0.000 1.051 373 V CA 1.942 64.225 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 -0.215 119.623 119.800 0.063 0.000 2.030 374 Q HA -0.280 4.065 4.340 0.008 0.000 0.204 374 Q C 2.126 178.198 176.000 0.121 0.000 0.986 374 Q CA 2.255 58.113 55.803 0.092 0.000 0.843 374 Q CB -0.190 28.619 28.738 0.118 0.000 0.904 374 Q HN 0.618 nan 8.270 nan 0.000 0.420 375 D N 0.308 120.807 120.400 0.165 0.000 2.126 375 D HA -0.207 4.438 4.640 0.008 0.000 0.190 375 D C 1.899 178.168 176.300 -0.051 0.000 1.001 375 D CA 1.348 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 0.527 121.050 120.570 -0.078 0.000 2.127 376 I HA -0.276 3.899 4.170 0.008 0.000 0.241 376 I C 2.455 178.445 176.117 -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 4.122 4.340 0.008 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 4.118 4.340 0.008 0.000 0.209 378 L C 2.715 179.763 176.870 0.296 0.000 1.083 378 L CA 1.326 56.343 54.840 0.295 0.000 0.752 378 L CB -0.316 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 -0.708 118.910 119.600 0.030 0.000 2.077 379 M HA -0.210 4.275 4.480 0.008 0.000 0.261 379 M C 2.292 178.678 176.300 0.143 0.000 1.070 379 M CA 1.730 56.995 55.300 -0.059 0.000 1.125 379 M CB -0.437 31.890 32.600 -0.455 0.000 1.339 379 M HN 0.090 nan 8.290 nan 0.000 0.409 380 K N 0.285 120.656 120.400 -0.049 0.000 2.103 380 K HA -0.191 4.134 4.320 0.008 0.000 0.207 380 K C 1.945 178.513 176.600 -0.054 0.000 1.048 380 K CA 1.378 57.514 56.287 -0.250 0.000 0.930 380 K CB -0.262 31.836 32.500 -0.671 0.000 0.716 380 K HN 0.509 nan 8.250 nan 0.000 0.444 381 Q N 0.255 120.208 119.800 0.255 0.000 2.224 381 Q HA -0.030 4.315 4.340 0.008 0.000 0.203 381 Q C 1.041 177.341 176.000 0.500 0.000 0.970 381 Q CA 0.701 56.792 55.803 0.480 0.000 0.865 381 Q CB 0.140 29.146 28.738 0.447 0.000 0.922 381 Q HN 0.272 nan 8.270 nan 0.000 0.445 382 N N 0.719 119.658 118.700 0.399 0.000 2.295 382 N HA 0.031 4.776 4.740 0.008 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 0.589 39.355 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 4.576 4.740 0.008 0.000 0.249 383 N C -0.905 174.433 175.510 -0.288 0.000 1.079 383 N CA 0.644 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 0.863 120.808 119.950 -0.009 0.000 2.385 384 F HA 0.322 4.854 4.527 0.008 0.000 0.336 384 F C 1.819 177.597 175.800 -0.037 0.000 1.100 384 F CA -0.384 57.599 58.000 -0.029 0.000 1.116 384 F CB 0.942 39.901 39.000 -0.068 0.000 1.166 384 F HN -0.105 nan 8.300 nan 0.000 0.511 385 N N 0.618 119.429 118.700 0.185 0.000 2.463 385 N HA 0.399 5.144 4.740 0.008 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 0.510 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 4.969 4.320 0.008 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 0.915 121.056 119.914 0.378 0.000 2.925 387 V HA 0.786 4.911 4.120 0.008 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 4.632 125.145 120.500 0.021 0.000 2.338 388 R HA 0.457 4.802 4.340 0.008 0.000 0.317 388 R C -0.715 175.458 176.300 -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 -0.669 0.000 1.128 388 R HN 0.831 nan 8.270 nan 0.000 0.448 389 C N 4.196 123.395 119.300 -0.168 0.000 3.183 389 C HA 0.104 4.569 4.460 0.008 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 -2.178 25.503 27.740 -0.099 0.000 1.393 389 C HN 0.706 nan 8.230 nan 0.000 0.611 390 S N 1.299 116.611 115.700 -0.647 0.000 2.466 390 S HA 0.120 4.595 4.470 0.008 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 0.002 62.499 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 4.864 4.556 0.008 0.000 0.226 391 H C -1.068 174.117 175.328 -0.238 0.000 1.422 391 H CA -0.379 55.433 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 4.984 4.550 0.009 0.000 0.355 392 Y C -3.350 172.646 175.900 0.159 0.000 1.211 392 Y CA -3.093 55.105 58.100 0.164 0.000 1.112 392 Y CB -0.027 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 0.192 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 0.176 63.520 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 0.281 119.267 118.700 0.478 0.000 2.491 394 N HA 0.119 4.864 4.740 0.008 0.000 0.279 394 N C -0.031 175.716 175.510 0.395 0.000 1.236 394 N CA -0.645 52.611 53.050 0.343 0.000 0.982 394 N CB 0.416 38.911 38.487 0.014 0.000 1.194 394 N HN 0.583 nan 8.380 nan 0.000 0.582 395 H N 2.000 121.183 119.070 0.188 0.000 3.070 395 H HA 0.016 4.576 4.556 0.008 0.000 0.313 395 H C -1.694 173.816 175.328 0.304 0.000 0.997 395 H CA -0.949 55.206 56.048 0.178 0.000 1.438 395 H CB 1.000 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 1.820 179.454 177.300 0.556 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 -1.293 120.321 121.223 0.652 0.000 2.131 397 L HA -0.077 4.268 4.340 0.008 0.000 0.210 397 L C 2.356 179.411 176.870 0.308 0.000 1.092 397 L CA 1.447 56.544 54.840 0.427 0.000 0.759 397 L CB -1.400 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 4.283 4.660 0.008 0.000 0.320 398 W C 2.219 178.561 176.519 -0.296 0.000 1.241 398 W CA 2.256 59.482 57.345 -0.198 0.000 1.264 398 W CB -0.484 28.747 29.460 -0.382 0.000 1.154 398 W HN 0.277 nan 8.180 nan 0.000 0.483 399 Y N 0.526 120.754 120.300 -0.121 0.000 2.224 399 Y HA -0.228 4.327 4.550 0.008 0.000 0.289 399 Y C 2.856 178.478 175.900 -0.464 0.000 1.146 399 Y CA 2.102 59.898 58.100 -0.508 0.000 1.182 399 Y CB -1.412 36.432 38.460 -1.027 0.000 0.983 399 Y HN -0.196 nan 8.280 nan 0.000 0.524 400 T N 0.804 115.325 114.554 -0.054 0.000 2.708 400 T HA -0.169 4.186 4.350 0.008 0.000 0.266 400 T C 2.030 176.757 174.700 0.046 0.000 1.037 400 T CA 1.517 63.680 62.100 0.105 0.000 1.146 400 T CB -0.588 68.413 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 4.191 4.340 0.008 0.000 0.210 401 L C 2.943 179.808 176.870 -0.007 0.000 1.073 401 L CA 1.131 55.998 54.840 0.045 0.000 0.748 401 L CB -0.906 41.123 42.059 -0.050 0.000 0.891 401 L HN 0.393 nan 8.230 nan 0.000 0.431 402 C N -0.175 118.949 119.300 -0.295 0.000 2.425 402 C HA -0.157 4.308 4.460 0.008 0.000 0.277 402 C C 2.444 177.479 174.990 0.075 0.000 1.280 402 C CA 0.502 59.380 59.018 -0.233 0.000 1.744 402 C CB -0.850 26.639 27.740 -0.418 0.000 1.989 402 C HN 0.544 nan 8.230 nan 0.000 0.491 403 D N 0.382 120.822 120.400 0.067 0.000 2.123 403 D HA -0.108 4.537 4.640 0.008 0.000 0.196 403 D C 2.403 178.920 176.300 0.361 0.000 0.992 403 D CA 1.247 55.364 54.000 0.193 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 -1.014 119.588 120.500 0.170 0.000 2.080 404 R HA 0.001 4.346 4.340 0.008 0.000 0.222 404 R C 2.153 178.400 176.300 -0.088 0.000 1.107 404 R CA 0.607 56.733 56.100 0.043 0.000 0.980 404 R CB -0.221 30.026 30.300 -0.088 0.000 0.879 404 R HN 0.274 nan 8.270 nan 0.000 0.439 405 Y N -0.129 120.177 120.300 0.010 0.000 2.475 405 Y HA 0.167 4.722 4.550 0.008 0.000 0.289 405 Y C 0.991 176.809 175.900 -0.136 0.000 1.121 405 Y CA 0.799 58.874 58.100 -0.042 0.000 1.257 405 Y CB 0.721 39.124 38.460 -0.094 0.000 1.026 405 Y HN 0.270 nan 8.280 nan 0.000 0.555 406 G N 1.158 109.976 108.800 0.030 0.000 3.026 406 G HA2 -0.164 3.801 3.960 0.008 0.000 0.252 406 G HA3 -0.164 3.801 3.960 0.008 0.000 0.252 406 G C -1.044 173.678 174.900 -0.297 0.000 1.070 406 G CA -0.532 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 0.477 121.603 121.223 -0.160 0.000 2.422 407 L HA 0.528 4.873 4.340 0.008 0.000 0.264 407 L C 0.092 176.920 176.870 -0.072 0.000 0.984 407 L CA -1.391 53.307 54.840 -0.237 0.000 0.819 407 L CB 1.952 43.898 42.059 -0.189 0.000 1.330 407 L HN 0.377 nan 8.230 nan 0.000 0.410 408 Y N 1.843 122.255 120.300 0.185 0.000 2.359 408 Y HA 0.341 4.897 4.550 0.010 0.000 0.330 408 Y C 0.192 176.199 175.900 0.178 0.000 1.143 408 Y CA -0.639 57.601 58.100 0.233 0.000 1.318 408 Y CB 1.150 39.734 38.460 0.208 0.000 1.234 408 Y HN 0.143 nan 8.280 nan 0.000 0.522 409 V N 4.350 124.441 119.914 0.294 0.000 2.604 409 V HA 0.294 4.419 4.120 0.008 0.000 0.305 409 V C -0.544 175.630 176.094 0.134 0.000 1.043 409 V CA -1.027 61.391 62.300 0.197 0.000 0.888 409 V CB 1.882 33.785 31.823 0.135 0.000 0.995 409 V HN 0.464 nan 8.190 nan 0.000 0.429 410 V N 3.391 123.365 119.914 0.099 0.000 2.318 410 V HA 0.293 4.418 4.120 0.008 0.000 0.271 410 V C -0.207 175.920 176.094 0.056 0.000 1.030 410 V CA -0.310 61.997 62.300 0.012 0.000 0.844 410 V CB 1.320 33.066 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 0.304 4.948 4.640 0.008 0.000 0.249 411 D C -0.173 176.296 176.300 0.281 0.000 1.134 411 D CA 0.041 54.192 54.000 0.251 0.000 0.863 411 D CB 1.172 42.156 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 4.974 4.350 0.008 0.000 0.266 412 E C -1.036 175.690 176.600 0.211 0.000 0.883 412 E CA -1.088 55.433 56.400 0.202 0.000 0.761 412 E CB 1.400 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 3.607 126.546 122.820 0.199 0.000 2.445 413 A HA 0.060 4.385 4.320 0.008 0.000 0.242 413 A C 0.323 178.027 177.584 0.201 0.000 1.075 413 A CA -0.218 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 1.145 119.971 118.700 0.210 0.000 3.050 414 N HA 0.263 5.008 4.740 0.008 0.000 0.289 414 N C -1.067 174.567 175.510 0.207 0.000 1.209 414 N CA 0.215 53.423 53.050 0.265 0.000 1.154 414 N CB -0.861 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 0.896 121.581 120.570 0.192 0.000 2.503 415 I HA 0.248 4.423 4.170 0.008 0.000 0.282 415 I C -0.585 175.623 176.117 0.151 0.000 1.059 415 I CA -0.547 60.846 61.300 0.155 0.000 1.081 415 I CB 1.722 39.785 38.000 0.104 0.000 1.210 415 I HN 0.212 nan 8.210 nan 0.000 0.450 416 E N 4.423 124.712 120.200 0.149 0.000 2.281 416 E HA 0.315 4.670 4.350 0.008 0.000 0.266 416 E C -0.465 176.194 176.600 0.098 0.000 0.893 416 E CA -0.414 56.049 56.400 0.105 0.000 0.798 416 E CB 1.560 31.304 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 4.496 4.350 0.008 0.000 0.270 417 T C 0.985 175.738 174.700 0.088 0.000 0.992 417 T CA -0.254 61.919 62.100 0.122 0.000 0.931 417 T CB -0.288 68.635 68.868 0.091 0.000 1.142 417 T HN 0.662 nan 8.240 nan 0.000 0.525 418 H N 1.287 120.287 119.070 -0.116 0.000 2.362 418 H HA -0.120 4.441 4.556 0.009 0.000 0.294 418 H C 2.257 177.482 175.328 -0.173 0.000 1.113 418 H CA 1.494 57.443 56.048 -0.165 0.000 1.253 418 H CB -0.250 29.371 29.762 -0.234 0.000 1.363 418 H HN 0.587 nan 8.280 nan 0.000 0.494 419 G N 0.037 108.754 108.800 -0.139 0.000 2.776 419 G HA2 -0.009 3.956 3.960 0.008 0.000 0.209 419 G HA3 -0.009 3.956 3.960 0.008 0.000 0.209 419 G C 0.323 175.384 174.900 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 0.292 120.039 119.600 0.245 0.000 2.283 420 M HA 0.404 4.889 4.480 0.008 0.000 0.314 420 M C -0.507 175.822 176.300 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 3.055 122.974 119.914 0.008 0.000 2.483 421 V HA 0.402 4.527 4.120 0.008 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 33.539 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 62.590 63.100 -0.019 0.000 0.770 422 P CB 0.937 32.626 31.700 -0.017 0.000 1.206 423 M N -0.289 119.310 119.600 -0.003 0.000 2.149 423 M HA -0.189 4.296 4.480 0.008 0.000 0.261 423 M C 1.965 178.275 176.300 0.016 0.000 1.064 423 M CA 1.825 57.132 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 0.350 nan 8.290 nan 0.000 0.408 424 N N -0.263 118.447 118.700 0.016 0.000 2.205 424 N HA -0.249 4.496 4.740 0.008 0.000 0.186 424 N C 1.662 177.139 175.510 -0.055 0.000 1.015 424 N CA 0.965 54.020 53.050 0.008 0.000 0.862 424 N CB -0.037 38.445 38.487 -0.008 0.000 0.986 424 N HN 0.286 nan 8.380 nan 0.000 0.429 425 R N 0.834 121.289 120.500 -0.075 0.000 2.189 425 R HA -0.216 4.129 4.340 0.008 0.000 0.252 425 R C 1.910 178.086 176.300 -0.206 0.000 1.134 425 R CA 1.715 57.743 56.100 -0.120 0.000 0.954 425 R CB -0.269 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 -1.107 119.929 121.223 -0.312 0.000 2.202 426 L HA -0.000 4.345 4.340 0.008 0.000 0.205 426 L C 2.460 179.153 176.870 -0.295 0.000 1.083 426 L CA 1.283 55.797 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 0.438 nan 8.230 nan 0.000 0.452 427 T N -4.397 110.031 114.554 -0.210 0.000 3.051 427 T HA -0.154 4.201 4.350 0.008 0.000 0.269 427 T C 1.248 175.846 174.700 -0.170 0.000 1.127 427 T CA 1.126 63.096 62.100 -0.218 0.000 1.107 427 T CB -0.196 68.508 68.868 -0.273 0.000 0.898 427 T HN 0.094 nan 8.240 nan 0.000 0.517 428 D N 1.014 121.349 120.400 -0.109 0.000 2.349 428 D HA 0.115 4.760 4.640 0.008 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 -0.213 120.177 120.400 -0.016 0.000 2.329 429 D HA 0.135 4.780 4.640 0.008 0.000 0.232 429 D C -1.704 174.663 176.300 0.112 0.000 1.088 429 D CA -2.279 51.759 54.000 0.064 0.000 0.835 429 D CB 2.043 42.916 40.800 0.122 0.000 1.078 429 D HN -0.091 nan 8.370 nan 0.000 0.495 430 P HA -0.179 nan 4.420 nan 0.000 0.217 430 P C 0.984 178.292 177.300 0.014 0.000 1.148 430 P CA 1.132 64.244 63.100 0.020 0.000 0.834 430 P CB 0.128 31.827 31.700 -0.001 0.000 0.783 431 R N -1.878 118.642 120.500 0.033 0.000 2.241 431 R HA -0.093 4.252 4.340 0.008 0.000 0.224 431 R C 1.542 177.670 176.300 -0.286 0.000 1.101 431 R CA 1.125 57.161 56.100 -0.106 0.000 0.995 431 R CB -0.778 29.439 30.300 -0.139 0.000 0.870 431 R HN 0.358 nan 8.270 nan 0.000 0.463 432 W N 0.193 121.437 121.300 -0.093 0.000 3.278 432 W HA 0.151 4.815 4.660 0.008 0.000 0.308 432 W C 1.603 178.062 176.519 -0.101 0.000 1.253 432 W CA -0.656 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 4.231 4.340 0.008 0.000 0.212 433 L C -0.650 176.183 176.870 -0.062 0.000 1.073 433 L CA 2.424 57.254 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 -0.547 122.219 122.820 -0.090 0.000 1.927 435 A HA -0.256 4.069 4.320 0.008 0.000 0.220 435 A C 2.291 179.877 177.584 0.004 0.000 1.185 435 A CA 2.489 54.505 52.037 -0.034 0.000 0.639 435 A CB -1.622 17.387 19.000 0.015 0.000 0.820 435 A HN 0.119 nan 8.150 nan 0.000 0.451 436 M N -0.542 119.071 119.600 0.021 0.000 2.132 436 M HA -0.136 4.349 4.480 0.008 0.000 0.263 436 M C 2.592 178.840 176.300 -0.087 0.000 1.065 436 M CA 1.702 56.997 55.300 -0.009 0.000 1.122 436 M CB -0.495 32.081 32.600 -0.039 0.000 1.365 436 M HN 0.657 nan 8.290 nan 0.000 0.411 437 S N 0.828 116.449 115.700 -0.132 0.000 2.365 437 S HA -0.212 4.263 4.470 0.008 0.000 0.225 437 S C 1.663 176.100 174.600 -0.272 0.000 1.039 437 S CA 1.677 59.737 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 0.530 120.616 120.200 -0.190 0.000 2.268 438 E HA -0.071 4.284 4.350 0.008 0.000 0.195 438 E C 2.352 178.868 176.600 -0.140 0.000 0.995 438 E CA 0.685 56.980 56.400 -0.176 0.000 0.836 438 E CB -0.152 29.478 29.700 -0.117 0.000 0.763 438 E HN 0.628 nan 8.360 nan 0.000 0.491 439 R N 0.221 120.664 120.500 -0.095 0.000 2.193 439 R HA -0.019 4.326 4.340 0.008 0.000 0.213 439 R C 2.218 178.479 176.300 -0.066 0.000 1.055 439 R CA 0.476 56.551 56.100 -0.042 0.000 0.995 439 R CB 0.154 30.466 30.300 0.019 0.000 0.893 439 R HN -0.003 nan 8.270 nan 0.000 0.459 440 V N 0.246 120.075 119.914 -0.141 0.000 2.436 440 V HA -0.162 3.963 4.120 0.008 0.000 0.240 440 V C 2.476 178.410 176.094 -0.268 0.000 1.040 440 V CA 2.042 64.242 62.300 -0.167 0.000 1.052 440 V CB -0.285 31.436 31.823 -0.170 0.000 0.707 440 V HN 0.449 nan 8.190 nan 0.000 0.469 441 T N 0.175 114.448 114.554 -0.469 0.000 2.684 441 T HA -0.286 4.069 4.350 0.008 0.000 0.267 441 T C 1.902 176.454 174.700 -0.246 0.000 1.036 441 T CA 1.763 63.521 62.100 -0.569 0.000 1.148 441 T CB -0.491 67.855 68.868 -0.869 0.000 0.863 441 T HN 0.455 nan 8.240 nan 0.000 0.436 442 R N 0.521 120.899 120.500 -0.202 0.000 2.115 442 R HA 0.181 4.526 4.340 0.008 0.000 0.230 442 R C 2.695 178.921 176.300 -0.123 0.000 1.111 442 R CA 1.365 57.379 56.100 -0.144 0.000 0.976 442 R CB -0.565 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 0.931 120.467 119.600 -0.106 0.000 2.080 443 M HA -0.175 4.310 4.480 0.008 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 0.032 32.634 32.600 0.003 0.000 1.342 443 M HN 0.003 nan 8.290 nan 0.000 0.405 444 V N 1.092 120.846 119.914 -0.266 0.000 2.295 444 V HA -0.291 3.834 4.120 0.008 0.000 0.246 444 V C 2.330 178.318 176.094 -0.176 0.000 1.049 444 V CA 2.034 64.070 62.300 -0.441 0.000 1.024 444 V CB -1.036 30.476 31.823 -0.518 0.000 0.648 444 V HN 0.583 nan 8.190 nan 0.000 0.447 445 Q N -0.274 119.452 119.800 -0.123 0.000 2.234 445 Q HA -0.250 4.095 4.340 0.008 0.000 0.206 445 Q C 2.382 178.289 176.000 -0.154 0.000 0.980 445 Q CA 1.613 57.347 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 0.490 120.896 120.500 -0.157 0.000 2.112 446 R HA -0.072 4.273 4.340 0.008 0.000 0.216 446 R C 0.553 176.760 176.300 -0.156 0.000 1.080 446 R CA 1.156 57.136 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 0.068 120.438 120.400 -0.050 0.000 2.369 447 D HA -0.005 4.640 4.640 0.008 0.000 0.211 447 D C 1.435 177.799 176.300 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 0.811 121.401 120.500 0.149 0.000 2.200 448 R HA -0.033 4.312 4.340 0.008 0.000 0.234 448 R C 1.029 177.313 176.300 -0.028 0.000 1.127 448 R CA 1.150 57.352 56.100 0.170 0.000 0.989 448 R CB -0.405 29.945 30.300 0.083 0.000 0.869 448 R HN -0.053 nan 8.270 nan 0.000 0.459 449 N N 0.107 118.711 118.700 -0.159 0.000 2.336 449 N HA -0.016 4.729 4.740 0.008 0.000 0.189 449 N C -0.464 174.899 175.510 -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 1.162 120.155 119.070 -0.128 0.000 2.646 450 H HA 0.115 4.676 4.556 0.008 0.000 0.325 450 H C -1.199 173.975 175.328 -0.257 0.000 1.075 450 H CA -1.313 54.646 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 -0.126 nan 4.420 nan 0.000 0.221 451 P C 1.351 178.200 177.300 -0.751 0.000 1.150 451 P CA 1.060 63.805 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 -1.172 114.187 115.700 -0.569 0.000 2.447 452 S HA -0.026 4.449 4.470 0.008 0.000 0.233 452 S C 1.043 175.620 174.600 -0.040 0.000 1.006 452 S CA 0.285 58.327 58.200 -0.263 0.000 0.957 452 S CB -1.371 61.807 63.200 -0.037 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 0.270 4.394 4.120 0.008 0.000 0.268 453 V C 1.021 176.974 176.094 -0.234 0.000 1.046 453 V CA -0.130 62.075 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 4.708 4.170 0.008 0.000 0.331 454 I C 0.284 176.281 176.117 -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 38.537 38.000 -0.015 0.000 1.112 454 I HN 0.336 nan 8.210 nan 0.000 0.403 455 I N 0.287 120.712 120.570 -0.242 0.000 2.752 455 I HA 0.368 4.543 4.170 0.008 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 -0.171 0.000 1.030 455 I CB 2.252 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 3.893 125.232 121.300 0.064 0.000 2.496 456 W HA 0.670 5.334 4.660 0.006 0.000 0.327 456 W C 0.247 176.820 176.519 0.090 0.000 1.086 456 W CA -0.728 56.661 57.345 0.073 0.000 1.222 456 W CB 1.753 31.252 29.460 0.063 0.000 1.304 456 W HN 0.324 nan 8.180 nan 0.000 0.547 457 S N 2.818 118.738 115.700 0.366 0.000 2.521 457 S HA 0.407 4.882 4.470 0.008 0.000 0.295 457 S C 0.117 174.870 174.600 0.256 0.000 1.098 457 S CA -0.718 57.644 58.200 0.269 0.000 0.999 457 S CB 0.973 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 3.763 125.127 121.223 0.236 0.000 2.610 458 L HA 0.336 4.681 4.340 0.008 0.000 0.232 458 L C 1.430 178.350 176.870 0.084 0.000 1.149 458 L CA 0.648 55.554 54.840 0.111 0.000 0.872 458 L CB -1.052 40.977 42.059 -0.050 0.000 0.992 458 L HN 1.032 nan 8.230 nan 0.000 0.447 459 G N -0.050 108.873 108.800 0.206 0.000 2.270 459 G HA2 -0.116 3.849 3.960 0.008 0.000 0.268 459 G HA3 -0.116 3.849 3.960 0.008 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 0.584 119.399 118.700 0.192 0.000 2.331 460 N HA 0.468 5.213 4.740 0.008 0.000 0.280 460 N C -0.034 175.448 175.510 -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 0.627 120.708 120.200 -0.200 0.000 2.024 461 E HA -0.232 4.123 4.350 0.008 0.000 0.163 461 E C -1.104 175.408 176.600 -0.147 0.000 1.490 461 E CA 0.842 57.047 56.400 -0.325 0.000 0.586 461 E CB -1.900 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 0.688 116.450 115.700 0.103 0.000 3.021 462 S HA 0.462 4.937 4.470 0.008 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 2.053 110.943 108.800 0.151 0.000 2.578 463 G HA2 -0.277 3.688 3.960 0.008 0.000 0.275 463 G HA3 -0.277 3.688 3.960 0.008 0.000 0.275 463 G C -0.468 174.631 174.900 0.333 0.000 1.271 463 G CA 0.015 45.206 45.100 0.151 0.000 0.941 463 G HN 0.656 nan 8.290 nan 0.000 0.564 464 H N 0.539 119.719 119.070 0.182 0.000 2.906 464 H HA 0.563 5.124 4.556 0.008 0.000 0.324 464 H C 0.320 175.817 175.328 0.281 0.000 0.973 464 H CA -0.053 56.132 56.048 0.229 0.000 1.321 464 H CB 0.535 30.364 29.762 0.111 0.000 1.535 464 H HN 1.019 nan 8.280 nan 0.000 0.518 465 G N 1.485 110.383 108.800 0.164 0.000 2.600 465 G HA2 0.450 4.415 3.960 0.008 0.000 0.303 465 G HA3 0.450 4.415 3.960 0.008 0.000 0.303 465 G C 0.600 175.378 174.900 -0.204 0.000 1.253 465 G CA -0.148 44.862 45.100 -0.149 0.000 0.974 465 G HN 0.656 nan 8.290 nan 0.000 0.483 466 A N 0.381 123.104 122.820 -0.161 0.000 1.978 466 A HA -0.108 4.217 4.320 0.008 0.000 0.220 466 A C 2.122 179.678 177.584 -0.047 0.000 1.170 466 A CA 1.896 53.886 52.037 -0.079 0.000 0.636 466 A CB -0.457 18.516 19.000 -0.046 0.000 0.810 466 A HN 0.554 nan 8.150 nan 0.000 0.448 467 N N -0.191 118.443 118.700 -0.110 0.000 2.272 467 N HA -0.170 4.575 4.740 0.008 0.000 0.185 467 N C 1.328 176.768 175.510 -0.116 0.000 1.014 467 N CA 1.796 54.764 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 0.325 119.380 119.070 -0.025 0.000 2.363 468 H HA 0.040 4.601 4.556 0.008 0.000 0.301 468 H C 1.316 176.709 175.328 0.108 0.000 1.074 468 H CA 0.977 57.025 56.048 0.001 0.000 1.354 468 H CB 0.168 29.943 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 4.493 4.640 0.008 0.000 0.198 469 D C 2.248 178.691 176.300 0.238 0.000 0.990 469 D CA 1.234 55.370 54.000 0.226 0.000 0.839 469 D CB -0.248 40.660 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 4.244 4.320 0.008 0.000 0.216 470 A C 2.419 180.122 177.584 0.197 0.000 1.181 470 A CA 0.741 52.869 52.037 0.152 0.000 0.620 470 A CB -0.691 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 -0.150 4.195 4.340 0.008 0.000 0.209 471 L C 2.564 179.594 176.870 0.267 0.000 1.094 471 L CA 1.541 56.482 54.840 0.169 0.000 0.763 471 L CB -0.599 41.495 42.059 0.057 0.000 0.908 471 L HN 0.650 nan 8.230 nan 0.000 0.437 472 Y N 0.398 120.781 120.300 0.138 0.000 2.200 472 Y HA -0.193 4.360 4.550 0.006 0.000 0.290 472 Y C 2.823 178.798 175.900 0.125 0.000 1.137 472 Y CA 1.239 59.419 58.100 0.134 0.000 1.163 472 Y CB -0.078 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 0.038 120.712 120.500 0.289 0.000 2.096 473 R HA -0.223 4.122 4.340 0.008 0.000 0.235 473 R C 1.984 178.294 176.300 0.017 0.000 1.127 473 R CA 1.747 57.910 56.100 0.105 0.000 0.968 473 R CB -1.447 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 4.495 4.660 0.009 0.000 0.311 474 W C 1.879 178.309 176.519 -0.148 0.000 1.213 474 W CA 1.670 58.963 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 3.813 4.170 0.008 0.000 0.242 475 I C 2.434 178.321 176.117 -0.383 0.000 1.088 475 I CA 1.465 62.579 61.300 -0.309 0.000 1.357 475 I CB -0.857 37.036 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 4.187 4.320 0.008 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 31.754 32.500 -0.322 0.000 0.716 476 K HN 0.252 nan 8.250 nan 0.000 0.446 477 S N 0.663 116.176 115.700 -0.311 0.000 2.357 477 S HA -0.056 4.419 4.470 0.008 0.000 0.221 477 S C 2.185 176.558 174.600 -0.377 0.000 1.031 477 S CA 0.838 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 1.138 120.683 119.914 -0.615 0.000 2.453 478 V HA -0.016 4.109 4.120 0.008 0.000 0.247 478 V C 0.527 176.388 176.094 -0.389 0.000 1.048 478 V CA 1.347 63.270 62.300 -0.628 0.000 1.049 478 V CB -0.191 30.928 31.823 -1.173 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 4.884 4.640 0.008 0.000 0.251 479 D C -2.223 174.053 176.300 -0.039 0.000 1.282 479 D CA -1.645 52.279 54.000 -0.127 0.000 0.927 479 D CB 1.591 42.391 40.800 -0.000 0.000 1.267 479 D HN 0.093 nan 8.370 nan 0.000 0.531 480 P HA -0.031 nan 4.420 nan 0.000 0.242 480 P C 1.222 178.534 177.300 0.019 0.000 1.197 480 P CA 0.366 63.450 63.100 -0.027 0.000 0.765 480 P CB 0.175 31.852 31.700 -0.039 0.000 0.936 481 S N -1.141 114.581 115.700 0.037 0.000 2.474 481 S HA -0.011 4.464 4.470 0.008 0.000 0.235 481 S C 0.930 175.553 174.600 0.039 0.000 0.997 481 S CA 0.188 58.413 58.200 0.042 0.000 0.949 481 S CB -0.342 62.876 63.200 0.029 0.000 0.766 481 S HN 0.069 nan 8.310 nan 0.000 0.517 482 R N 0.548 121.087 120.500 0.064 0.000 2.808 482 R HA 0.620 4.965 4.340 0.008 0.000 0.272 482 R C -3.131 173.220 176.300 0.085 0.000 0.995 482 R CA -2.228 53.884 56.100 0.020 0.000 0.917 482 R CB 1.703 31.930 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 -0.996 176.401 177.300 0.162 0.000 1.259 483 P CA -0.603 62.554 63.100 0.094 0.000 0.826 483 P CB 1.081 32.823 31.700 0.069 0.000 1.064 484 V N 1.806 121.832 119.914 0.187 0.000 2.581 484 V HA 0.498 4.622 4.120 0.008 0.000 0.303 484 V C 0.112 176.368 176.094 0.271 0.000 1.041 484 V CA -0.372 62.086 62.300 0.264 0.000 0.907 484 V CB 1.393 33.353 31.823 0.228 0.000 0.994 484 V HN 0.647 nan 8.190 nan 0.000 0.442 485 Q N 3.170 123.120 119.800 0.250 0.000 2.421 485 Q HA 0.780 5.124 4.340 0.008 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 31.573 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 0.200 4.754 4.550 0.007 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 2.241 40.655 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 4.485 4.350 0.008 0.000 0.193 487 E C 0.686 176.814 176.600 -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 4.123 3.960 0.008 0.000 0.230 488 G HA3 0.158 4.123 3.960 0.008 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 -0.862 0.000 0.863 488 G HN 0.407 nan 8.290 nan 0.000 0.549 489 G N -0.283 108.440 108.800 -0.130 0.000 2.176 489 G HA2 0.233 4.198 3.960 0.008 0.000 0.252 489 G HA3 0.233 4.198 3.960 0.008 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 -1.643 107.138 108.800 -0.030 0.000 2.229 490 G HA2 0.429 4.394 3.960 0.008 0.000 0.189 490 G HA3 0.429 4.394 3.960 0.008 0.000 0.189 490 G C 1.024 176.021 174.900 0.163 0.000 1.000 490 G CA 1.414 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 -0.213 122.595 122.820 -0.020 0.000 3.661 491 A HA -0.150 4.175 4.320 0.008 0.000 0.269 491 A C 1.098 178.625 177.584 -0.095 0.000 1.056 491 A CA 2.613 54.590 52.037 -0.100 0.000 1.159 491 A CB -1.841 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 -0.428 119.997 120.400 0.041 0.000 2.650 492 D HA 0.331 4.976 4.640 0.008 0.000 0.265 492 D C 0.574 176.861 176.300 -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 -2.218 112.255 114.554 -0.135 0.000 2.652 493 T HA 0.103 4.458 4.350 0.008 0.000 0.345 493 T C 1.574 176.138 174.700 -0.225 0.000 1.051 493 T CA 0.594 62.547 62.100 -0.246 0.000 1.021 493 T CB 0.437 68.918 68.868 -0.646 0.000 1.141 493 T HN 0.112 nan 8.240 nan 0.000 0.518 494 T N -2.677 111.728 114.554 -0.250 0.000 3.160 494 T HA 0.312 4.667 4.350 0.008 0.000 0.257 494 T C 1.482 175.908 174.700 -0.457 0.000 1.147 494 T CA 0.170 62.136 62.100 -0.222 0.000 1.064 494 T CB -0.397 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 0.531 123.078 122.820 -0.455 0.000 2.460 495 A HA 0.520 4.845 4.320 0.008 0.000 0.258 495 A C 0.819 178.196 177.584 -0.344 0.000 1.300 495 A CA -0.285 51.411 52.037 -0.568 0.000 0.913 495 A CB 0.101 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 -0.239 0.000 2.912 496 T HA 0.391 4.746 4.350 0.008 0.000 0.299 496 T C -0.648 174.088 174.700 0.061 0.000 1.052 496 T CA -0.427 61.686 62.100 0.020 0.000 0.996 496 T CB 1.357 70.218 68.868 -0.011 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 4.944 4.640 0.008 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 0.797 121.376 120.570 0.016 0.000 2.647 498 I HA 0.253 4.428 4.170 0.008 0.000 0.295 498 I C -0.305 175.745 176.117 -0.111 0.000 1.078 498 I CA -0.906 60.368 61.300 -0.044 0.000 1.048 498 I CB 2.968 40.951 38.000 -0.029 0.000 1.239 498 I HN -0.352 nan 8.210 nan 0.000 0.421 499 I N 5.262 125.720 120.570 -0.186 0.000 2.436 499 I HA 0.092 4.267 4.170 0.008 0.000 0.289 499 I C 0.111 176.022 176.117 -0.344 0.000 1.083 499 I CA -0.103 60.997 61.300 -0.334 0.000 1.372 499 I CB 0.209 37.910 38.000 -0.499 0.000 1.408 499 I HN 0.665 nan 8.210 nan 0.000 0.516 500 C N 5.482 124.595 119.300 -0.312 0.000 3.401 500 C HA 0.469 4.934 4.460 0.008 0.000 0.204 500 C C -2.145 172.702 174.990 -0.239 0.000 1.522 500 C CA -2.228 56.650 59.018 -0.232 0.000 1.409 500 C CB -0.840 26.820 27.740 -0.133 0.000 1.967 500 C HN 0.425 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 -0.188 0.000 0.795 501 P CB 0.770 32.366 31.700 -0.174 0.000 1.038 502 M N -0.231 119.316 119.600 -0.089 0.000 2.243 502 M HA 0.457 4.942 4.480 0.008 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 33.734 32.600 -0.342 0.000 1.615 502 M HN 0.342 nan 8.290 nan 0.000 0.430 503 Y N -0.354 120.090 120.300 0.241 0.000 4.490 503 Y HA -0.201 4.355 4.550 0.009 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 -2.320 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 4.911 4.320 0.008 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 1.345 121.984 120.500 0.232 0.000 2.583 505 R HA 0.350 4.695 4.340 0.008 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 0.632 30.971 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 3.918 4.120 0.008 0.000 0.244 506 V C 1.018 177.015 176.094 -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 -0.530 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 4.725 4.640 0.008 0.000 0.218 507 D C 0.784 177.065 176.300 -0.031 0.000 1.047 507 D CA 0.133 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 1.396 121.583 120.200 -0.022 0.000 2.231 508 E HA 0.306 4.661 4.350 0.008 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 1.447 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 2.508 122.907 120.400 -0.003 0.000 2.253 509 D HA 0.140 4.785 4.640 0.008 0.000 0.249 509 D C -0.504 175.685 176.300 -0.185 0.000 1.049 509 D CA -0.310 53.673 54.000 -0.028 0.000 0.929 509 D CB 1.331 42.195 40.800 0.107 0.000 1.176 509 D HN 0.430 nan 8.370 nan 0.000 0.437 510 Q N 1.188 120.754 119.800 -0.390 0.000 2.616 510 Q HA 0.281 4.626 4.340 0.008 0.000 0.250 510 Q C -2.385 172.920 176.000 -1.159 0.000 0.991 510 Q CA -1.569 53.796 55.803 -0.729 0.000 0.707 510 Q CB 2.627 30.949 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 -0.769 176.213 177.300 -0.529 0.000 1.849 511 P CA -0.285 62.373 63.100 -0.737 0.000 1.022 511 P CB -0.384 31.084 31.700 -0.386 0.000 1.912 512 F N 2.720 122.527 119.950 -0.238 0.000 2.506 512 F HA 0.211 4.743 4.527 0.008 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 38.503 39.000 -0.138 0.000 1.145 512 F HN 0.087 nan 8.300 nan 0.000 0.593 513 P HA 0.063 nan 4.420 nan 0.000 0.268 513 P C 0.330 177.650 177.300 0.034 0.000 1.204 513 P CA 1.003 64.125 63.100 0.036 0.000 0.768 513 P CB 1.159 32.877 31.700 0.031 0.000 0.842 514 A N 3.112 125.939 122.820 0.011 0.000 2.617 514 A HA -0.247 4.078 4.320 0.008 0.000 0.236 514 A C 0.681 178.267 177.584 0.005 0.000 0.551 514 A CA 1.923 53.968 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 4.705 4.120 0.008 0.000 0.255 515 V C -2.429 173.671 176.094 0.009 0.000 0.946 515 V CA -1.205 61.098 62.300 0.005 0.000 0.988 515 V CB 0.749 32.581 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 -0.036 62.686 63.100 -0.630 0.000 0.795 516 P CB 1.042 31.946 31.700 -1.327 0.000 1.006 517 K N 1.452 121.385 120.400 -0.778 0.000 2.530 517 K HA 0.205 4.530 4.320 0.008 0.000 0.230 517 K C -0.432 175.818 176.600 -0.584 0.000 1.002 517 K CA -0.259 55.746 56.287 -0.470 0.000 1.014 517 K CB 0.462 32.974 32.500 0.020 0.000 1.286 517 K HN 0.490 nan 8.250 nan 0.000 0.480 518 W N 1.373 122.332 121.300 -0.569 0.000 2.079 518 W HA 0.008 4.674 4.660 0.010 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 0.359 29.470 29.460 -0.582 0.000 1.165 518 W HN 0.379 nan 8.180 nan 0.000 0.603 519 S N 2.589 118.465 115.700 0.293 0.000 2.549 519 S HA -0.017 4.458 4.470 0.008 0.000 0.286 519 S C 1.101 175.859 174.600 0.263 0.000 1.314 519 S CA -0.315 57.996 58.200 0.185 0.000 1.062 519 S CB 0.258 63.502 63.200 0.072 0.000 0.865 519 S HN 0.527 nan 8.310 nan 0.000 0.498 520 I N 1.802 122.493 120.570 0.202 0.000 2.208 520 I HA -0.202 3.973 4.170 0.008 0.000 0.245 520 I C 1.989 178.131 176.117 0.041 0.000 1.097 520 I CA 1.285 62.691 61.300 0.177 0.000 1.363 520 I CB -0.601 37.448 38.000 0.080 0.000 1.051 520 I HN 0.620 nan 8.210 nan 0.000 0.413 521 K N 1.734 122.056 120.400 -0.131 0.000 2.097 521 K HA -0.179 4.146 4.320 0.008 0.000 0.206 521 K C 2.193 178.769 176.600 -0.040 0.000 1.049 521 K CA 1.609 57.723 56.287 -0.288 0.000 0.933 521 K CB -0.394 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 0.458 120.869 120.400 0.020 0.000 2.155 522 K HA -0.143 4.182 4.320 0.008 0.000 0.203 522 K C 1.904 178.525 176.600 0.034 0.000 1.052 522 K CA 0.545 56.835 56.287 0.004 0.000 0.948 522 K CB -0.059 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 2.148 123.421 121.300 -0.044 0.000 2.321 523 W HA -0.211 4.453 4.660 0.005 0.000 0.306 523 W C 1.529 178.017 176.519 -0.052 0.000 1.217 523 W CA 1.240 58.571 57.345 -0.024 0.000 1.257 523 W CB -0.572 28.978 29.460 0.149 0.000 1.145 523 W HN 0.086 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 4.126 4.340 0.008 0.000 0.212 524 L C 2.068 178.995 176.870 0.094 0.000 1.103 524 L CA 1.791 56.714 54.840 0.139 0.000 0.769 524 L CB -0.823 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 4.722 4.470 0.008 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 3.293 124.482 121.223 -0.058 0.000 2.483 526 L HA 0.322 4.667 4.340 0.008 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 0.668 177.960 177.300 -0.013 0.000 1.209 527 P CA 0.740 63.817 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 3.740 3.960 0.008 0.000 0.244 528 G HA3 -0.225 3.740 3.960 0.008 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 1.243 121.464 120.200 0.035 0.000 2.360 529 E HA 0.554 4.909 4.350 0.008 0.000 0.269 529 E C 1.390 178.014 176.600 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 4.651 4.350 0.008 0.000 0.295 530 T C 0.563 175.270 174.700 0.012 0.000 0.897 530 T CA -0.441 61.672 62.100 0.022 0.000 0.905 530 T CB 0.162 69.042 68.868 0.020 0.000 1.202 530 T HN 0.212 nan 8.240 nan 0.000 0.592 531 R N 2.488 122.991 120.500 0.005 0.000 2.615 531 R HA 0.478 4.823 4.340 0.008 0.000 0.270 531 R C -2.495 173.783 176.300 -0.036 0.000 1.081 531 R CA -1.876 54.217 56.100 -0.013 0.000 1.154 531 R CB 0.153 30.439 30.300 -0.024 0.000 1.063 531 R HN 0.243 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 2.778 123.909 121.223 -0.153 0.000 2.349 533 L HA 0.597 4.941 4.340 0.008 0.000 0.278 533 L C -1.244 175.474 176.870 -0.254 0.000 0.996 533 L CA -0.572 54.136 54.840 -0.220 0.000 0.825 533 L CB 0.609 42.510 42.059 -0.264 0.000 1.243 533 L HN 0.234 nan 8.230 nan 0.000 0.412 534 I N 5.761 126.189 120.570 -0.237 0.000 2.468 534 I HA 0.308 4.483 4.170 0.008 0.000 0.285 534 I C -0.737 175.279 176.117 -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 4.393 4.340 0.008 0.000 0.272 535 L C 1.491 178.437 176.870 0.128 0.000 1.157 535 L CA -0.214 54.563 54.840 -0.105 0.000 0.889 535 L CB 0.700 42.652 42.059 -0.178 0.000 1.158 535 L HN 0.875 nan 8.230 nan 0.000 0.473 536 C N 0.499 119.850 119.300 0.085 0.000 2.446 536 C HA 0.112 4.577 4.460 0.008 0.000 0.279 536 C C 0.606 175.738 174.990 0.237 0.000 1.366 536 C CA -0.140 58.963 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 4.951 4.350 0.008 0.000 0.281 537 E C -1.348 175.212 176.600 -0.067 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 0.684 nan 8.360 nan 0.000 0.417 538 Y N -0.990 119.294 120.300 -0.026 0.000 2.638 538 Y HA 0.665 5.221 4.550 0.010 0.000 0.335 538 Y C -0.645 175.408 175.900 0.255 0.000 1.155 538 Y CA -0.974 57.106 58.100 -0.034 0.000 1.046 538 Y CB 1.114 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 2.057 124.939 122.820 0.103 0.000 2.183 539 A HA -0.263 4.062 4.320 0.008 0.000 0.278 539 A C -0.436 177.292 177.584 0.239 0.000 1.404 539 A CA 0.993 53.092 52.037 0.104 0.000 0.737 539 A CB -2.430 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 0.998 120.231 119.070 0.271 0.000 3.191 540 H HA 0.249 4.810 4.556 0.008 0.000 0.261 540 H C 1.177 176.587 175.328 0.136 0.000 1.013 540 H CA 0.800 57.014 56.048 0.277 0.000 1.457 540 H CB 0.416 30.218 29.762 0.066 0.000 1.535 540 H HN 0.830 nan 8.280 nan 0.000 0.518 541 A N 6.482 129.231 122.820 -0.119 0.000 2.648 541 A HA 0.039 4.364 4.320 0.008 0.000 0.269 541 A C 0.983 178.426 177.584 -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 4.893 4.480 0.008 0.000 0.340 542 M C 1.044 177.206 176.300 -0.229 0.000 1.486 542 M CA 1.267 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 4.465 113.115 108.800 -0.249 0.000 2.556 543 G HA2 -0.347 3.617 3.960 0.008 0.000 0.283 543 G HA3 -0.347 3.617 3.960 0.008 0.000 0.283 543 G C -0.142 174.303 174.900 -0.759 0.000 1.177 543 G CA 0.144 44.946 45.100 -0.497 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 5.267 4.740 0.008 0.000 0.263 544 N C -0.093 175.182 175.510 -0.393 0.000 1.178 544 N CA 1.060 53.661 53.050 -0.747 0.000 0.983 544 N CB 0.403 38.477 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 5.102 4.470 0.008 0.000 0.314 545 S C -0.140 174.405 174.600 -0.092 0.000 1.177 545 S CA -0.409 57.700 58.200 -0.153 0.000 0.859 545 S CB 0.384 63.517 63.200 -0.113 0.000 1.265 545 S HN 0.409 nan 8.310 nan 0.000 0.584 546 L N 0.163 121.367 121.223 -0.032 0.000 4.609 546 L HA -0.057 4.288 4.340 0.008 0.000 0.396 546 L C 0.445 177.372 176.870 0.094 0.000 1.028 546 L CA 0.793 55.644 54.840 0.017 0.000 1.232 546 L CB -1.718 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 4.446 3.960 0.008 0.000 0.246 547 G HA3 0.481 4.446 3.960 0.008 0.000 0.246 547 G C 1.238 176.216 174.900 0.131 0.000 1.289 547 G CA 0.178 45.292 45.100 0.024 0.000 0.869 547 G HN 1.355 nan 8.290 nan 0.000 0.543 548 G N 1.670 110.548 108.800 0.131 0.000 2.175 548 G HA2 -0.327 3.638 3.960 0.008 0.000 0.244 548 G HA3 -0.327 3.638 3.960 0.008 0.000 0.244 548 G C 1.115 176.210 174.900 0.326 0.000 0.982 548 G CA 0.803 46.033 45.100 0.216 0.000 0.641 548 G HN 0.835 nan 8.290 nan 0.000 0.527 549 F N 2.044 122.133 119.950 0.232 0.000 2.115 549 F HA -0.005 4.527 4.527 0.009 0.000 0.300 549 F C 2.718 178.745 175.800 0.379 0.000 1.092 549 F CA 2.795 61.000 58.000 0.342 0.000 1.245 549 F CB -0.480 38.656 39.000 0.226 0.000 0.995 549 F HN 0.395 nan 8.300 nan 0.000 0.481 550 A N -0.205 122.807 122.820 0.321 0.000 1.972 550 A HA -0.212 4.113 4.320 0.008 0.000 0.219 550 A C 2.288 179.891 177.584 0.031 0.000 1.169 550 A CA 1.682 53.828 52.037 0.182 0.000 0.635 550 A CB -0.664 18.437 19.000 0.169 0.000 0.810 550 A HN 0.432 nan 8.150 nan 0.000 0.446 551 K N -1.406 118.992 120.400 -0.004 0.000 2.074 551 K HA -0.212 4.113 4.320 0.008 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 -0.540 119.474 120.300 -0.475 0.000 2.097 552 Y HA -0.271 4.283 4.550 0.008 0.000 0.282 552 Y C 2.207 177.091 175.900 -1.693 0.000 1.152 552 Y CA 1.389 58.843 58.100 -1.076 0.000 1.136 552 Y CB -0.434 37.407 38.460 -1.032 0.000 0.975 552 Y HN 0.174 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 4.433 4.660 0.010 0.000 0.281 553 W C 2.604 178.917 176.519 -0.344 0.000 1.219 553 W CA 1.917 58.932 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 -0.014 119.638 119.800 -0.247 0.000 2.269 554 Q HA -0.049 4.296 4.340 0.008 0.000 0.201 554 Q C 2.169 178.100 176.000 -0.114 0.000 0.946 554 Q CA 1.395 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 0.689 123.348 122.820 -0.269 0.000 1.872 555 A HA -0.062 4.263 4.320 0.008 0.000 0.214 555 A C 1.834 179.442 177.584 0.040 0.000 1.187 555 A CA 0.875 52.828 52.037 -0.140 0.000 0.614 555 A CB -1.032 17.767 19.000 -0.335 0.000 0.826 555 A HN 0.532 nan 8.150 nan 0.000 0.442 556 F N 0.023 119.804 119.950 -0.282 0.000 2.087 556 F HA -0.287 4.245 4.527 0.008 0.000 0.299 556 F C 2.734 178.447 175.800 -0.144 0.000 1.100 556 F CA 1.332 59.137 58.000 -0.326 0.000 1.226 556 F CB -0.243 38.345 39.000 -0.686 0.000 0.983 556 F HN 0.189 nan 8.300 nan 0.000 0.479 557 R N -0.074 120.494 120.500 0.113 0.000 2.148 557 R HA -0.151 4.194 4.340 0.008 0.000 0.223 557 R C 2.042 178.387 176.300 0.075 0.000 1.088 557 R CA 1.020 57.173 56.100 0.088 0.000 0.985 557 R CB -0.388 29.959 30.300 0.078 0.000 0.880 557 R HN 0.426 nan 8.270 nan 0.000 0.451 558 Q N -0.313 119.561 119.800 0.124 0.000 2.250 558 Q HA 0.001 4.346 4.340 0.008 0.000 0.200 558 Q C -0.457 175.556 176.000 0.022 0.000 0.941 558 Q CA 0.643 56.498 55.803 0.087 0.000 0.872 558 Q CB 0.518 29.355 28.738 0.165 0.000 0.965 558 Q HN 0.194 nan 8.270 nan 0.000 0.480 559 Y N 0.332 120.621 120.300 -0.019 0.000 2.353 559 Y HA 0.250 4.804 4.550 0.007 0.000 0.340 559 Y C -1.735 174.143 175.900 -0.037 0.000 0.972 559 Y CA -2.833 55.254 58.100 -0.023 0.000 1.157 559 Y CB 1.264 39.715 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 1.193 178.493 177.300 0.001 0.000 1.157 560 P CA 1.796 64.900 63.100 0.007 0.000 0.880 560 P CB 0.329 32.018 31.700 -0.017 0.000 0.791 561 R N -0.995 119.524 120.500 0.030 0.000 2.316 561 R HA 0.051 4.396 4.340 0.008 0.000 0.202 561 R C 0.585 176.856 176.300 -0.048 0.000 1.029 561 R CA 0.342 56.440 56.100 -0.003 0.000 1.018 561 R CB -0.554 29.756 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 4.497 4.340 0.008 0.000 0.278 562 L C 0.458 177.146 176.870 -0.303 0.000 1.088 562 L CA 0.012 54.766 54.840 -0.144 0.000 0.899 562 L CB 1.006 43.061 42.059 -0.006 0.000 1.277 562 L HN -0.009 nan 8.230 nan 0.000 0.431 563 Q N 2.545 122.117 119.800 -0.379 0.000 2.242 563 Q HA 0.345 4.690 4.340 0.008 0.000 0.246 563 Q C 0.959 176.579 176.000 -0.633 0.000 0.883 563 Q CA 0.088 55.651 55.803 -0.401 0.000 0.984 563 Q CB 0.763 29.360 28.738 -0.234 0.000 1.096 563 Q HN 0.881 nan 8.270 nan 0.000 0.452 564 G N -0.216 107.826 108.800 -1.264 0.000 2.482 564 G HA2 0.070 4.034 3.960 0.008 0.000 0.214 564 G HA3 0.070 4.034 3.960 0.008 0.000 0.214 564 G C -0.194 173.919 174.900 -1.310 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 -2.389 105.911 108.800 -0.832 0.000 2.349 565 G HA2 0.638 4.603 3.960 0.008 0.000 0.294 565 G HA3 0.638 4.603 3.960 0.008 0.000 0.294 565 G C -1.721 173.051 174.900 -0.213 0.000 1.380 565 G CA -0.288 44.504 45.100 -0.513 0.000 0.811 565 G HN 1.118 nan 8.290 nan 0.000 0.519 566 F N 0.751 120.925 119.950 0.373 0.000 2.361 566 F HA 0.531 5.062 4.527 0.007 0.000 0.364 566 F C 0.823 176.952 175.800 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 3.496 123.733 119.914 0.539 0.000 2.963 567 V HA -0.057 4.068 4.120 0.008 0.000 0.306 567 V C -0.362 175.903 176.094 0.286 0.000 1.077 567 V CA -0.373 62.030 62.300 0.172 0.000 1.124 567 V CB 1.044 32.970 31.823 0.171 0.000 0.987 567 V HN 0.753 nan 8.190 nan 0.000 0.487 568 W N 6.136 127.508 121.300 0.120 0.000 2.362 568 W HA 0.473 5.138 4.660 0.008 0.000 0.316 568 W C -0.997 175.543 176.519 0.035 0.000 1.024 568 W CA -0.727 56.724 57.345 0.177 0.000 1.270 568 W CB 1.483 31.182 29.460 0.398 0.000 1.273 568 W HN 0.897 nan 8.180 nan 0.000 0.424 569 D N 2.852 122.952 120.400 -0.499 0.000 2.798 569 D HA 0.135 4.780 4.640 0.008 0.000 0.308 569 D C 0.698 176.791 176.300 -0.346 0.000 1.187 569 D CA -0.537 53.044 54.000 -0.699 0.000 1.033 569 D CB 0.284 40.115 40.800 -1.615 0.000 1.445 569 D HN 0.412 nan 8.370 nan 0.000 0.550 570 W N 0.609 121.608 121.300 -0.501 0.000 2.423 570 W HA 0.085 4.750 4.660 0.009 0.000 0.321 570 W C -0.144 176.159 176.519 -0.361 0.000 1.180 570 W CA 1.180 58.286 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 1.423 121.095 119.914 -0.404 0.000 2.769 571 V HA 0.244 4.369 4.120 0.008 0.000 0.312 571 V C -0.666 175.215 176.094 -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 -0.199 0.000 1.019 571 V HN -0.120 nan 8.190 nan 0.000 0.445 572 D N 1.965 122.175 120.400 -0.317 0.000 2.425 572 D HA 0.150 4.795 4.640 0.008 0.000 0.247 572 D C 0.407 176.555 176.300 -0.254 0.000 1.147 572 D CA 0.432 54.299 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 0.602 nan 8.370 nan 0.000 0.456 573 Q N 1.153 120.731 119.800 -0.369 0.000 2.642 573 Q HA 0.097 4.442 4.340 0.008 0.000 0.319 573 Q C -0.078 175.880 176.000 -0.069 0.000 1.030 573 Q CA -0.288 55.092 55.803 -0.706 0.000 0.943 573 Q CB 0.071 28.475 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 5.078 4.470 0.008 0.000 0.273 574 S C -0.126 174.661 174.600 0.312 0.000 1.274 574 S CA -0.728 57.654 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 1.390 122.711 121.223 0.162 0.000 2.341 575 L HA 0.569 4.914 4.340 0.008 0.000 0.267 575 L C -0.334 176.439 176.870 -0.162 0.000 1.009 575 L CA -1.060 53.745 54.840 -0.058 0.000 0.819 575 L CB 1.682 43.574 42.059 -0.279 0.000 1.323 575 L HN 0.640 nan 8.230 nan 0.000 0.425 576 I N 2.216 122.635 120.570 -0.251 0.000 2.371 576 I HA 0.221 4.396 4.170 0.008 0.000 0.290 576 I C -0.038 175.704 176.117 -0.626 0.000 1.028 576 I CA -0.164 60.860 61.300 -0.459 0.000 1.345 576 I CB 1.095 38.831 38.000 -0.440 0.000 1.407 576 I HN 0.518 nan 8.210 nan 0.000 0.501 577 K N 5.447 125.192 120.400 -1.093 0.000 2.340 577 K HA 0.558 4.883 4.320 0.008 0.000 0.244 577 K C -1.613 174.226 176.600 -1.268 0.000 0.973 577 K CA -0.730 54.843 56.287 -1.191 0.000 0.828 577 K CB 2.405 33.917 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 4.686 4.550 0.008 0.000 0.345 578 Y C 0.258 176.315 175.900 0.262 0.000 0.984 578 Y CA -0.991 57.123 58.100 0.023 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 0.168 120.841 120.400 0.455 0.000 2.478 579 D HA 0.017 4.662 4.640 0.008 0.000 0.269 579 D C 1.103 177.505 176.300 0.169 0.000 1.232 579 D CA -0.466 53.698 54.000 0.275 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 -0.455 119.800 120.200 0.093 0.000 2.273 580 E HA -0.265 4.090 4.350 0.008 0.000 0.198 580 E C -0.069 176.562 176.600 0.052 0.000 1.002 580 E CA 1.194 57.627 56.400 0.055 0.000 0.828 580 E CB -0.391 29.324 29.700 0.026 0.000 0.747 580 E HN 0.512 nan 8.360 nan 0.000 0.491 581 N N -0.313 118.429 118.700 0.071 0.000 2.351 581 N HA 0.147 4.892 4.740 0.008 0.000 0.254 581 N C 0.535 176.089 175.510 0.073 0.000 1.241 581 N CA 0.294 53.378 53.050 0.058 0.000 0.883 581 N CB 1.261 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 1.422 110.281 108.800 0.099 0.000 2.198 582 G HA2 -0.270 3.695 3.960 0.008 0.000 0.260 582 G HA3 -0.270 3.695 3.960 0.008 0.000 0.260 582 G C -0.494 174.548 174.900 0.236 0.000 1.025 582 G CA -0.151 45.007 45.100 0.096 0.000 0.769 582 G HN 0.352 nan 8.290 nan 0.000 0.507 583 N N 1.149 120.014 118.700 0.274 0.000 2.438 583 N HA 0.543 5.288 4.740 0.008 0.000 0.282 583 N C -2.398 173.298 175.510 0.311 0.000 1.037 583 N CA -1.501 51.706 53.050 0.262 0.000 0.942 583 N CB 2.025 40.617 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 -0.652 176.598 177.300 -0.084 0.000 1.259 584 P CA -0.487 62.452 63.100 -0.268 0.000 0.826 584 P CB 0.952 32.427 31.700 -0.376 0.000 1.064 585 W N -1.232 119.816 121.300 -0.419 0.000 3.248 585 W HA 0.366 5.031 4.660 0.008 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 0.096 29.110 29.460 -0.744 0.000 1.389 585 W HN 0.121 nan 8.180 nan 0.000 0.561 586 S N 1.858 117.542 115.700 -0.026 0.000 2.455 586 S HA 0.560 5.035 4.470 0.008 0.000 0.278 586 S C 0.291 174.961 174.600 0.116 0.000 1.216 586 S CA -0.180 58.018 58.200 -0.002 0.000 1.055 586 S CB 0.820 64.102 63.200 0.136 0.000 0.939 586 S HN 0.646 nan 8.310 nan 0.000 0.494 587 A N 2.943 125.693 122.820 -0.117 0.000 2.294 587 A HA 0.880 5.205 4.320 0.008 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 0.611 19.336 19.000 -0.458 0.000 1.190 587 A HN 0.858 nan 8.150 nan 0.000 0.492 588 Y N -0.882 119.727 120.300 0.514 0.000 3.068 588 Y HA 0.751 5.306 4.550 0.009 0.000 0.302 588 Y C 0.563 176.858 175.900 0.659 0.000 1.610 588 Y CA -1.481 56.946 58.100 0.545 0.000 1.078 588 Y CB -0.095 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 0.007 109.300 108.800 0.822 0.000 2.287 589 G HA2 0.365 4.330 3.960 0.008 0.000 0.235 589 G HA3 0.365 4.330 3.960 0.008 0.000 0.235 589 G C 1.044 176.333 174.900 0.649 0.000 1.258 589 G CA 0.495 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 2.013 111.140 108.800 0.546 0.000 2.189 590 G HA2 -0.293 3.672 3.960 0.008 0.000 0.267 590 G HA3 -0.293 3.672 3.960 0.008 0.000 0.267 590 G C 0.849 175.983 174.900 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 -0.591 120.072 120.400 0.439 0.000 2.363 591 D HA 0.190 4.835 4.640 0.008 0.000 0.226 591 D C 1.144 177.331 176.300 -0.189 0.000 1.020 591 D CA 0.339 54.421 54.000 0.136 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 4.833 4.527 0.008 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 39.755 39.000 0.139 0.000 0.994 592 F HN -0.079 nan 8.300 nan 0.000 0.520 593 G N 0.804 109.762 108.800 0.263 0.000 2.166 593 G HA2 -0.309 3.656 3.960 0.008 0.000 0.260 593 G HA3 -0.309 3.656 3.960 0.008 0.000 0.260 593 G C -0.095 174.951 174.900 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 0.406 5.051 4.640 0.008 0.000 0.250 594 D C -0.038 176.397 176.300 0.225 0.000 1.166 594 D CA 0.524 54.713 54.000 0.316 0.000 0.881 594 D CB 1.150 42.210 40.800 0.432 0.000 1.164 594 D HN 0.054 nan 8.370 nan 0.000 0.467 595 T N 2.688 117.347 114.554 0.175 0.000 2.916 595 T HA 0.484 4.839 4.350 0.008 0.000 0.298 595 T C -2.323 172.424 174.700 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 62.385 63.100 0.010 0.000 0.811 596 P CB 0.795 32.478 31.700 -0.028 0.000 1.154 597 N N -1.247 117.444 118.700 -0.016 0.000 2.610 597 N HA 0.137 4.882 4.740 0.008 0.000 0.264 597 N C -1.110 174.363 175.510 -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 0.326 120.637 120.400 -0.147 0.000 2.427 598 D HA 0.090 4.735 4.640 0.008 0.000 0.224 598 D C 0.711 177.229 176.300 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 41.467 40.800 -0.139 0.000 0.974 598 D HN 0.642 nan 8.370 nan 0.000 0.498 599 R N 0.471 121.165 120.500 0.322 0.000 3.772 599 R HA -0.381 3.964 4.340 0.008 0.000 0.480 599 R C 1.074 177.295 176.300 -0.132 0.000 0.241 599 R CA 1.523 57.757 56.100 0.225 0.000 1.508 599 R CB -1.444 28.913 30.300 0.096 0.000 0.956 599 R HN 0.015 nan 8.270 nan 0.000 0.583 600 Q N 0.667 120.052 119.800 -0.690 0.000 2.364 600 Q HA 0.061 4.406 4.340 0.008 0.000 0.209 600 Q C 1.889 177.547 176.000 -0.570 0.000 0.977 600 Q CA 1.991 57.241 55.803 -0.921 0.000 0.885 600 Q CB -0.375 27.738 28.738 -1.043 0.000 0.941 600 Q HN 0.496 nan 8.270 nan 0.000 0.464 601 F N 0.687 120.521 119.950 -0.193 0.000 2.354 601 F HA -0.252 4.280 4.527 0.008 0.000 0.300 601 F C 1.779 177.519 175.800 -0.099 0.000 1.052 601 F CA 1.002 58.980 58.000 -0.037 0.000 1.425 601 F CB -0.409 38.628 39.000 0.062 0.000 1.095 601 F HN 0.367 nan 8.300 nan 0.000 0.560 602 C N -1.565 117.485 119.300 -0.416 0.000 2.697 602 C HA 0.337 4.802 4.460 0.008 0.000 0.267 602 C C 0.818 175.599 174.990 -0.349 0.000 1.278 602 C CA -0.622 57.978 59.018 -0.697 0.000 1.708 602 C CB -1.481 25.222 27.740 -1.730 0.000 1.860 602 C HN 0.195 nan 8.230 nan 0.000 0.589 603 M N 3.134 122.582 119.600 -0.254 0.000 2.027 603 M HA 0.351 4.836 4.480 0.008 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 0.543 33.061 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 4.883 4.740 0.008 0.000 0.240 604 N C 0.374 175.682 175.510 -0.337 0.000 1.307 604 N CA -0.117 52.792 53.050 -0.235 0.000 0.859 604 N CB 1.226 39.645 38.487 -0.113 0.000 1.260 604 N HN 0.672 nan 8.380 nan 0.000 0.501 605 G N 0.294 108.844 108.800 -0.417 0.000 2.572 605 G HA2 0.398 4.363 3.960 0.008 0.000 0.261 605 G HA3 0.398 4.363 3.960 0.008 0.000 0.261 605 G C 0.894 175.305 174.900 -0.815 0.000 1.197 605 G CA -0.429 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 -0.213 120.537 121.223 -0.789 0.000 2.375 606 L HA 0.164 4.509 4.340 0.008 0.000 0.215 606 L C 0.809 177.092 176.870 -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 41.839 42.059 -0.478 0.000 0.959 606 L HN 0.404 nan 8.230 nan 0.000 0.457 607 V N -4.653 114.580 119.914 -1.134 0.000 2.914 607 V HA 0.474 4.599 4.120 0.008 0.000 0.314 607 V C -0.273 175.395 176.094 -0.710 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 1.802 121.647 119.950 -0.175 0.000 2.440 608 F HA 0.537 5.070 4.527 0.009 0.000 0.323 608 F C 1.958 177.684 175.800 -0.123 0.000 1.192 608 F CA 0.591 58.580 58.000 -0.018 0.000 1.252 608 F CB 0.985 40.003 39.000 0.030 0.000 1.214 608 F HN 0.790 nan 8.300 nan 0.000 0.578 609 A N 0.819 123.732 122.820 0.156 0.000 2.032 609 A HA -0.264 4.061 4.320 0.008 0.000 0.221 609 A C 1.570 179.135 177.584 -0.030 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 -3.141 117.263 120.400 0.007 0.000 2.349 610 D HA 0.147 4.792 4.640 0.008 0.000 0.224 610 D C 0.659 176.951 176.300 -0.013 0.000 1.029 610 D CA 0.144 54.120 54.000 -0.040 0.000 0.879 610 D CB -0.071 40.705 40.800 -0.040 0.000 0.906 610 D HN 0.212 nan 8.370 nan 0.000 0.528 611 R N -1.181 119.314 120.500 -0.007 0.000 3.854 611 R HA -0.120 4.225 4.340 0.008 0.000 0.352 611 R C -0.429 175.884 176.300 0.021 0.000 1.156 611 R CA 1.093 57.180 56.100 -0.022 0.000 0.917 611 R CB -3.324 26.995 30.300 0.031 0.000 1.471 611 R HN 0.563 nan 8.270 nan 0.000 0.521 612 T N -1.857 112.761 114.554 0.106 0.000 2.837 612 T HA 0.716 5.071 4.350 0.008 0.000 0.285 612 T C -2.383 172.481 174.700 0.275 0.000 0.984 612 T CA -2.179 60.016 62.100 0.159 0.000 1.049 612 T CB 2.316 71.250 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 -0.252 177.140 177.300 0.154 0.000 1.228 613 P CA -0.321 62.809 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 2.730 121.642 119.070 -0.264 0.000 2.505 614 H HA 0.131 4.693 4.556 0.008 0.000 0.355 614 H C -1.198 174.049 175.328 -0.135 0.000 1.179 614 H CA -1.939 53.942 56.048 -0.279 0.000 1.343 614 H CB 0.664 30.217 29.762 -0.348 0.000 1.501 614 H HN 0.313 nan 8.280 nan 0.000 0.569 615 P HA -0.162 nan 4.420 nan 0.000 0.218 615 P C 1.272 178.577 177.300 0.007 0.000 1.148 615 P CA 1.312 64.411 63.100 -0.001 0.000 0.822 615 P CB -0.032 31.658 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 -0.229 4.096 4.320 0.008 0.000 0.221 616 A C 2.135 179.664 177.584 -0.092 0.000 1.178 616 A CA 1.712 53.715 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 -0.160 121.028 121.223 -0.059 0.000 2.103 617 L HA -0.206 4.138 4.340 0.008 0.000 0.215 617 L C 2.442 179.333 176.870 0.036 0.000 1.080 617 L CA 2.807 57.641 54.840 -0.010 0.000 0.764 617 L CB -0.986 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 -1.286 113.298 114.554 0.050 0.000 2.770 618 T HA -0.177 4.178 4.350 0.008 0.000 0.263 618 T C 1.704 176.474 174.700 0.117 0.000 1.039 618 T CA 1.280 63.458 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 1.489 121.710 120.200 0.036 0.000 2.097 619 E HA -0.135 4.220 4.350 0.008 0.000 0.196 619 E C 2.135 178.696 176.600 -0.066 0.000 1.000 619 E CA 1.455 57.872 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 0.452 nan 8.360 nan 0.000 0.454 620 A N 0.938 123.602 122.820 -0.259 0.000 1.835 620 A HA -0.262 4.063 4.320 0.008 0.000 0.215 620 A C 2.173 179.601 177.584 -0.260 0.000 1.199 620 A CA 2.285 54.109 52.037 -0.354 0.000 0.615 620 A CB -0.871 17.940 19.000 -0.316 0.000 0.838 620 A HN 0.306 nan 8.150 nan 0.000 0.444 621 K N -0.937 119.375 120.400 -0.147 0.000 2.077 621 K HA -0.306 4.019 4.320 0.008 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 -0.099 0.000 0.929 621 K CB -0.490 32.097 32.500 0.144 0.000 0.715 621 K HN 0.784 nan 8.250 nan 0.000 0.451 622 H N -0.953 117.917 119.070 -0.333 0.000 2.363 622 H HA -0.038 4.523 4.556 0.009 0.000 0.301 622 H C 1.794 176.833 175.328 -0.482 0.000 1.074 622 H CA 1.119 56.797 56.048 -0.617 0.000 1.354 622 H CB 0.323 29.712 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 -0.519 0.000 2.167 623 Q HA -0.116 4.229 4.340 0.008 0.000 0.202 623 Q C 1.906 177.353 176.000 -0.922 0.000 0.970 623 Q CA 1.151 56.578 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 1.014 120.226 119.800 -0.980 0.000 2.403 624 Q HA 0.008 4.353 4.340 0.008 0.000 0.203 624 Q C 0.422 175.836 176.000 -0.976 0.000 0.932 624 Q CA -0.227 54.864 55.803 -1.188 0.000 0.945 624 Q CB 0.072 28.166 28.738 -1.073 0.000 1.045 624 Q HN 0.432 nan 8.270 nan 0.000 0.511 625 Q N -0.187 119.191 119.800 -0.703 0.000 2.386 625 Q HA -0.060 4.285 4.340 0.008 0.000 0.282 625 Q C -0.367 175.252 176.000 -0.635 0.000 1.050 625 Q CA 0.317 55.814 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 0.183 nan 8.270 nan 0.000 0.423 626 F N 0.711 120.419 119.950 -0.404 0.000 2.789 626 F HA 0.270 4.802 4.527 0.008 0.000 0.300 626 F C -0.122 175.141 175.800 -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 38.529 39.000 -1.354 0.000 1.114 626 F HN 0.339 nan 8.300 nan 0.000 0.584 627 F N 0.193 120.102 119.950 -0.068 0.000 2.520 627 F HA 0.496 5.029 4.527 0.009 0.000 0.322 627 F C -0.086 175.433 175.800 -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 0.525 4.870 4.340 0.008 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 31.796 28.738 -0.162 0.000 1.325 628 Q HN 0.546 nan 8.270 nan 0.000 0.446 629 F N 0.520 120.592 119.950 0.202 0.000 2.546 629 F HA 0.626 5.159 4.527 0.009 0.000 0.320 629 F C 0.361 176.387 175.800 0.378 0.000 1.076 629 F CA -0.843 57.349 58.000 0.319 0.000 0.928 629 F CB 1.956 41.252 39.000 0.494 0.000 1.189 629 F HN 0.135 nan 8.300 nan 0.000 0.465 630 R N 1.729 122.562 120.500 0.556 0.000 2.604 630 R HA 0.590 4.935 4.340 0.008 0.000 0.281 630 R C -2.031 174.357 176.300 0.148 0.000 1.020 630 R CA -1.126 55.206 56.100 0.387 0.000 0.899 630 R CB 2.850 33.271 30.300 0.202 0.000 1.205 630 R HN 0.553 nan 8.270 nan 0.000 0.450 631 L N 1.345 122.524 121.223 -0.073 0.000 2.305 631 L HA 0.485 4.830 4.340 0.008 0.000 0.284 631 L C -0.807 175.910 176.870 -0.256 0.000 1.013 631 L CA 0.170 54.724 54.840 -0.477 0.000 0.819 631 L CB 1.929 43.193 42.059 -1.325 0.000 1.227 631 L HN 0.534 nan 8.230 nan 0.000 0.417 632 S N 4.071 119.646 115.700 -0.208 0.000 2.745 632 S HA 0.677 5.152 4.470 0.008 0.000 0.283 632 S C 0.455 174.966 174.600 -0.147 0.000 1.170 632 S CA 0.218 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 3.623 3.960 0.008 0.000 0.312 633 G HA3 -0.342 3.623 3.960 0.008 0.000 0.312 633 G C 0.330 175.119 174.900 -0.186 0.000 1.186 633 G CA 0.830 45.845 45.100 -0.142 0.000 0.965 633 G HN 1.121 nan 8.290 nan 0.000 0.548 634 Q N -0.647 119.048 119.800 -0.176 0.000 2.110 634 Q HA 0.549 4.894 4.340 0.008 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 1.574 116.010 114.554 -0.197 0.000 2.779 635 T HA 0.541 4.896 4.350 0.008 0.000 0.280 635 T C -0.463 174.135 174.700 -0.170 0.000 0.987 635 T CA -0.387 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 2.750 123.239 120.570 -0.134 0.000 2.354 636 I HA 0.329 4.504 4.170 0.008 0.000 0.292 636 I C 0.475 176.616 176.117 0.041 0.000 0.989 636 I CA -0.644 60.615 61.300 -0.068 0.000 1.188 636 I CB 1.487 39.470 38.000 -0.029 0.000 1.342 636 I HN 0.536 nan 8.210 nan 0.000 0.457 637 E N 6.247 126.499 120.200 0.085 0.000 2.134 637 E HA 0.428 4.783 4.350 0.008 0.000 0.278 637 E C -1.457 175.230 176.600 0.144 0.000 0.959 637 E CA -0.575 55.882 56.400 0.094 0.000 0.783 637 E CB 1.555 31.295 29.700 0.067 0.000 1.095 637 E HN 0.331 nan 8.360 nan 0.000 0.399 638 V N 4.038 124.010 119.914 0.096 0.000 2.435 638 V HA 0.313 4.438 4.120 0.008 0.000 0.290 638 V C 0.010 176.103 176.094 -0.001 0.000 1.030 638 V CA -0.537 61.772 62.300 0.014 0.000 0.881 638 V CB 1.849 33.705 31.823 0.056 0.000 0.983 638 V HN 0.704 nan 8.190 nan 0.000 0.445 639 T N 3.297 117.814 114.554 -0.062 0.000 2.807 639 T HA 0.349 4.703 4.350 0.008 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 70.329 68.868 -0.039 0.000 0.950 639 T HN 0.712 nan 8.240 nan 0.000 0.441 640 S N 2.165 117.899 115.700 0.056 0.000 2.499 640 S HA 0.248 4.723 4.470 0.008 0.000 0.279 640 S C 0.780 175.309 174.600 -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 63.976 63.200 0.134 0.000 0.978 640 S HN 0.726 nan 8.310 nan 0.000 0.489 641 E N 2.967 123.006 120.200 -0.268 0.000 2.463 641 E HA 0.091 4.446 4.350 0.008 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 0.251 120.440 120.300 -0.185 0.000 2.397 642 Y HA 0.017 4.571 4.550 0.008 0.000 0.335 642 Y C 1.359 177.097 175.900 -0.270 0.000 1.213 642 Y CA 0.103 58.058 58.100 -0.242 0.000 1.391 642 Y CB 0.779 39.080 38.460 -0.264 0.000 1.293 642 Y HN -0.047 nan 8.280 nan 0.000 0.557 643 L N 1.076 122.132 121.223 -0.279 0.000 2.470 643 L HA 0.078 4.423 4.340 0.008 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 -0.639 0.000 0.850 643 L CB 0.074 41.408 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 4.726 4.527 0.007 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 0.083 120.636 120.500 0.090 0.000 2.573 645 R HA 0.457 4.802 4.340 0.008 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 30.901 30.300 -0.168 0.000 1.112 645 R HN 0.071 nan 8.270 nan 0.000 0.517 646 H N 0.255 119.289 119.070 -0.060 0.000 2.472 646 H HA 0.206 4.766 4.556 0.008 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 2.995 118.604 115.700 -0.152 0.000 3.232 647 S HA -0.044 4.431 4.470 0.008 0.000 0.298 647 S C -0.138 174.552 174.600 0.150 0.000 1.159 647 S CA -0.023 58.226 58.200 0.081 0.000 1.240 647 S CB -0.768 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 4.795 4.640 0.008 0.000 0.226 648 D C 0.104 176.450 176.300 0.076 0.000 1.198 648 D CA -0.556 53.521 54.000 0.130 0.000 0.830 648 D CB -0.151 40.722 40.800 0.121 0.000 1.014 648 D HN 0.460 nan 8.370 nan 0.000 0.496 649 N N 0.182 118.929 118.700 0.079 0.000 2.635 649 N HA 0.156 4.901 4.740 0.008 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 38.850 38.487 0.040 0.000 1.403 649 N HN 0.008 nan 8.380 nan 0.000 0.518 650 E N 0.138 120.386 120.200 0.080 0.000 2.291 650 E HA 0.493 4.848 4.350 0.008 0.000 0.276 650 E C -1.828 174.799 176.600 0.044 0.000 0.896 650 E CA -0.558 55.882 56.400 0.066 0.000 0.774 650 E CB 1.973 31.682 29.700 0.016 0.000 1.227 650 E HN 0.159 nan 8.360 nan 0.000 0.413 651 L N 3.033 124.292 121.223 0.060 0.000 2.381 651 L HA 0.584 4.929 4.340 0.008 0.000 0.268 651 L C -1.739 175.191 176.870 0.101 0.000 0.997 651 L CA -0.983 53.902 54.840 0.075 0.000 0.818 651 L CB 1.801 43.911 42.059 0.085 0.000 1.310 651 L HN 0.557 nan 8.230 nan 0.000 0.416 652 L N 4.327 125.624 121.223 0.123 0.000 2.272 652 L HA 0.432 4.777 4.340 0.008 0.000 0.289 652 L C -0.785 176.220 176.870 0.225 0.000 1.032 652 L CA 0.069 55.014 54.840 0.175 0.000 0.810 652 L CB 0.678 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 6.392 125.536 119.070 0.123 0.000 2.489 653 H HA 0.317 4.878 4.556 0.008 0.000 0.322 653 H C -1.422 174.009 175.328 0.171 0.000 1.091 653 H CA -0.542 55.546 56.048 0.067 0.000 1.291 653 H CB 0.771 30.532 29.762 -0.003 0.000 1.436 653 H HN 0.807 nan 8.280 nan 0.000 0.480 654 W N 5.357 126.346 121.300 -0.517 0.000 2.850 654 W HA 0.578 5.243 4.660 0.008 0.000 0.349 654 W C -1.673 174.619 176.519 -0.378 0.000 1.133 654 W CA -1.413 55.756 57.345 -0.293 0.000 1.117 654 W CB 1.638 31.026 29.460 -0.120 0.000 1.442 654 W HN 0.597 nan 8.180 nan 0.000 0.575 655 M N 2.006 121.862 119.600 0.427 0.000 2.523 655 M HA 0.493 4.978 4.480 0.008 0.000 0.287 655 M C -2.590 173.931 176.300 0.368 0.000 1.160 655 M CA -0.403 55.026 55.300 0.216 0.000 0.902 655 M CB 1.995 34.613 32.600 0.030 0.000 1.752 655 M HN 0.208 nan 8.290 nan 0.000 0.504 656 V N 2.837 122.944 119.914 0.321 0.000 2.628 656 V HA 1.050 5.175 4.120 0.008 0.000 0.306 656 V C -0.440 175.769 176.094 0.191 0.000 1.045 656 V CA -0.071 62.395 62.300 0.277 0.000 0.905 656 V CB 1.501 33.492 31.823 0.279 0.000 0.997 656 V HN 1.059 nan 8.190 nan 0.000 0.436 657 A N 3.787 126.733 122.820 0.210 0.000 2.589 657 A HA 0.828 5.153 4.320 0.008 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 1.697 20.756 19.000 0.099 0.000 1.282 657 A HN 0.865 nan 8.150 nan 0.000 0.404 658 L N 1.579 122.898 121.223 0.160 0.000 2.276 658 L HA 0.577 4.922 4.340 0.008 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 4.913 125.483 120.400 0.284 0.000 2.755 659 D HA -0.197 4.448 4.640 0.008 0.000 0.227 659 D C 1.189 177.512 176.300 0.038 0.000 1.211 659 D CA 1.541 55.683 54.000 0.237 0.000 0.663 659 D CB -1.045 39.875 40.800 0.200 0.000 0.983 659 D HN 1.149 nan 8.370 nan 0.000 0.407 660 G N -0.774 108.004 108.800 -0.036 0.000 2.225 660 G HA2 -0.372 3.593 3.960 0.008 0.000 0.254 660 G HA3 -0.372 3.593 3.960 0.008 0.000 0.254 660 G C 0.122 174.943 174.900 -0.131 0.000 0.988 660 G CA 0.544 45.523 45.100 -0.201 0.000 0.625 660 G HN 0.567 nan 8.290 nan 0.000 0.527 661 K N 1.607 121.984 120.400 -0.039 0.000 2.240 661 K HA 0.609 4.934 4.320 0.008 0.000 0.271 661 K C -2.898 173.704 176.600 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 0.101 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 -0.206 62.895 63.100 0.002 0.000 0.768 662 P CB 0.713 32.396 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 4.904 4.340 0.008 0.000 0.242 663 L C 0.771 177.676 176.870 0.058 0.000 1.103 663 L CA 0.093 54.964 54.840 0.052 0.000 0.906 663 L CB 0.325 42.429 42.059 0.076 0.000 1.228 663 L HN 0.355 nan 8.230 nan 0.000 0.517 664 A N -0.192 122.660 122.820 0.054 0.000 2.590 664 A HA 0.728 5.053 4.320 0.008 0.000 0.294 664 A C -1.073 176.370 177.584 -0.235 0.000 1.046 664 A CA -0.353 51.696 52.037 0.020 0.000 0.684 664 A CB 1.352 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 -0.462 114.844 115.700 -0.657 0.000 2.537 665 S HA 0.924 5.399 4.470 0.008 0.000 0.270 665 S C -0.097 173.554 174.600 -1.581 0.000 1.142 665 S CA -0.235 57.237 58.200 -1.214 0.000 0.870 665 S CB 1.821 64.709 63.200 -0.520 0.000 1.112 665 S HN 2.092 nan 8.310 nan 0.000 0.466 666 G N 0.233 107.661 108.800 -2.285 0.000 2.766 666 G HA2 0.770 4.735 3.960 0.008 0.000 0.288 666 G HA3 0.770 4.735 3.960 0.008 0.000 0.288 666 G C -2.014 172.423 174.900 -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 -0.999 119.116 120.200 -0.142 0.000 2.321 667 E HA 0.498 4.853 4.350 0.008 0.000 0.281 667 E C -1.695 174.993 176.600 0.147 0.000 0.910 667 E CA -0.615 55.821 56.400 0.060 0.000 0.770 667 E CB 2.963 32.708 29.700 0.075 0.000 1.225 667 E HN 0.308 nan 8.360 nan 0.000 0.417 668 V N 2.831 122.847 119.914 0.170 0.000 2.711 668 V HA 0.348 4.473 4.120 0.008 0.000 0.304 668 V C -2.544 173.618 176.094 0.113 0.000 1.097 668 V CA -1.894 60.495 62.300 0.148 0.000 0.906 668 V CB 2.104 34.031 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 0.728 32.469 31.700 0.069 0.000 0.848 670 L N 3.242 124.489 121.223 0.041 0.000 2.292 670 L HA 0.306 4.651 4.340 0.008 0.000 0.284 670 L C 0.541 177.444 176.870 0.054 0.000 1.065 670 L CA 0.083 54.932 54.840 0.014 0.000 0.806 670 L CB 0.561 42.568 42.059 -0.088 0.000 1.175 670 L HN 0.283 nan 8.230 nan 0.000 0.431 671 D N 2.955 123.397 120.400 0.071 0.000 2.412 671 D HA 0.386 5.031 4.640 0.008 0.000 0.276 671 D C -1.155 175.160 176.300 0.024 0.000 1.196 671 D CA -0.108 53.989 54.000 0.162 0.000 0.905 671 D CB 0.887 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 0.621 120.398 119.914 -0.229 0.000 2.588 672 V HA 0.907 5.032 4.120 0.008 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 33.166 31.823 0.004 0.000 0.996 672 V HN 0.405 nan 8.190 nan 0.000 0.425 673 A N 5.483 128.166 122.820 -0.227 0.000 2.271 673 A HA 0.867 5.192 4.320 0.008 0.000 0.288 673 A C -2.423 175.153 177.584 -0.013 0.000 1.094 673 A CA -1.862 50.117 52.037 -0.095 0.000 0.828 673 A CB 0.087 19.176 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 -0.535 176.762 177.300 -0.006 0.000 1.175 674 P CA 0.712 63.824 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 -1.315 118.469 119.800 -0.027 0.000 2.452 675 Q HA -0.182 4.163 4.340 0.008 0.000 0.248 675 Q C 0.672 176.669 176.000 -0.006 0.000 0.874 675 Q CA 1.554 57.338 55.803 -0.032 0.000 1.208 675 Q CB -2.536 26.176 28.738 -0.043 0.000 1.569 675 Q HN 0.763 nan 8.270 nan 0.000 0.579 676 G N 0.237 109.043 108.800 0.011 0.000 2.521 676 G HA2 0.605 4.570 3.960 0.008 0.000 0.323 676 G HA3 0.605 4.570 3.960 0.008 0.000 0.323 676 G C -0.562 174.355 174.900 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 0.503 4.828 4.320 0.008 0.000 0.246 677 K C -0.769 175.854 176.600 0.039 0.000 0.954 677 K CA -0.575 55.731 56.287 0.033 0.000 0.824 677 K CB 2.401 34.917 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 0.385 4.730 4.340 0.008 0.000 0.271 678 Q C -1.656 174.371 176.000 0.046 0.000 1.046 678 Q CA -0.643 55.187 55.803 0.045 0.000 0.798 678 Q CB 1.412 30.178 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 4.929 4.340 0.008 0.000 0.285 679 L C -0.626 176.254 176.870 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 4.453 4.170 0.008 0.000 0.285 680 I C -0.368 175.700 176.117 -0.082 0.000 1.039 680 I CA -0.397 60.889 61.300 -0.022 0.000 1.074 680 I CB 2.223 40.223 38.000 0.002 0.000 1.228 680 I HN 0.584 nan 8.210 nan 0.000 0.436 681 E N 6.529 126.681 120.200 -0.080 0.000 2.156 681 E HA 0.514 4.869 4.350 0.008 0.000 0.279 681 E C -1.054 175.451 176.600 -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 31.456 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 4.701 4.340 0.008 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 0.625 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 -0.776 176.479 177.300 -0.075 0.000 1.244 683 P CA -0.423 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 0.867 121.049 120.200 -0.030 0.000 2.415 684 E HA 0.045 4.400 4.350 0.008 0.000 0.263 684 E C -0.801 175.790 176.600 -0.015 0.000 0.995 684 E CA -0.107 56.273 56.400 -0.032 0.000 0.915 684 E CB -0.018 29.673 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 4.715 4.340 0.008 0.000 0.284 685 L C -1.742 175.135 176.870 0.012 0.000 1.065 685 L CA -2.047 52.788 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 -1.525 175.791 177.300 0.027 0.000 1.227 686 P CA -0.336 62.787 63.100 0.038 0.000 0.788 686 P CB 0.537 32.272 31.700 0.058 0.000 0.926 687 Q N -0.516 119.297 119.800 0.022 0.000 2.364 687 Q HA 0.599 4.944 4.340 0.008 0.000 0.251 687 Q C -2.864 173.146 176.000 0.017 0.000 0.927 687 Q CA -1.317 54.496 55.803 0.016 0.000 0.924 687 Q CB 0.429 29.169 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 33.106 31.700 0.029 0.000 1.180 689 E N -0.295 119.915 120.200 0.018 0.000 2.076 689 E HA 0.004 4.359 4.350 0.008 0.000 0.190 689 E C 0.350 176.962 176.600 0.020 0.000 0.979 689 E CA 0.627 57.036 56.400 0.016 0.000 0.807 689 E CB -0.608 29.101 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 4.584 4.470 0.008 0.000 0.297 690 S C 0.436 175.057 174.600 0.035 0.000 1.283 690 S CA 0.137 58.355 58.200 0.031 0.000 1.044 690 S CB 0.445 63.666 63.200 0.034 0.000 0.789 690 S HN 0.327 nan 8.310 nan 0.000 0.500 691 A N 2.029 124.873 122.820 0.040 0.000 2.296 691 A HA 0.783 5.108 4.320 0.008 0.000 0.264 691 A C 1.006 178.626 177.584 0.060 0.000 1.097 691 A CA 0.188 52.252 52.037 0.044 0.000 0.811 691 A CB -0.331 18.697 19.000 0.047 0.000 1.072 691 A HN 2.212 nan 8.150 nan 0.000 0.495 692 G N -0.804 108.035 108.800 0.065 0.000 2.371 692 G HA2 0.225 4.190 3.960 0.008 0.000 0.663 692 G HA3 0.225 4.190 3.960 0.008 0.000 0.663 692 G C -1.005 173.942 174.900 0.078 0.000 1.311 692 G CA -0.599 44.559 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 5.000 4.340 0.008 0.000 0.257 693 Q C -0.506 175.575 176.000 0.135 0.000 0.936 693 Q CA -0.755 55.079 55.803 0.051 0.000 0.903 693 Q CB 2.117 30.879 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 4.837 4.340 0.008 0.000 0.289 694 L C -1.828 174.989 176.870 -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 42.561 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 5.212 4.660 0.008 0.000 0.331 695 W C -0.937 175.683 176.519 0.169 0.000 1.049 695 W CA -0.735 56.694 57.345 0.140 0.000 1.230 695 W CB 1.718 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 3.429 124.941 121.223 0.482 0.000 2.275 696 L HA 0.726 5.071 4.340 0.008 0.000 0.288 696 L C -0.310 176.866 176.870 0.510 0.000 1.046 696 L CA 0.212 55.308 54.840 0.427 0.000 0.805 696 L CB 1.072 43.330 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 5.018 4.350 0.008 0.000 0.290 697 T C -0.942 173.927 174.700 0.282 0.000 1.000 697 T CA -0.396 61.889 62.100 0.309 0.000 0.978 697 T CB 1.592 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 1.793 121.835 119.914 0.214 0.000 2.823 698 V HA 0.863 4.988 4.120 0.008 0.000 0.312 698 V C -0.931 175.236 176.094 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 2.270 122.882 120.500 0.187 0.000 2.621 699 R HA 0.772 5.117 4.340 0.008 0.000 0.284 699 R C -1.670 174.775 176.300 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 3.657 123.747 119.914 0.293 0.000 2.427 700 V HA 0.420 4.545 4.120 0.008 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 33.710 31.823 0.232 0.000 0.982 700 V HN 0.433 nan 8.190 nan 0.000 0.452 701 V N 4.534 124.543 119.914 0.159 0.000 2.680 701 V HA 0.424 4.549 4.120 0.008 0.000 0.309 701 V C -0.323 175.854 176.094 0.137 0.000 1.052 701 V CA -0.775 61.607 62.300 0.136 0.000 0.908 701 V CB 2.002 33.877 31.823 0.087 0.000 1.001 701 V HN 0.882 nan 8.190 nan 0.000 0.431 702 Q N 4.661 124.554 119.800 0.155 0.000 2.421 702 Q HA 0.288 4.633 4.340 0.008 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 30.668 28.738 0.148 0.000 1.222 702 Q HN 0.498 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 32.116 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 5.226 4.740 0.008 0.000 0.294 704 N C -0.512 174.951 175.510 -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 0.348 123.113 122.820 -0.092 0.000 2.351 705 A HA 0.535 4.860 4.320 0.008 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 -2.321 112.025 114.554 -0.347 0.000 2.804 706 T HA 0.626 4.981 4.350 0.008 0.000 0.272 706 T C 1.055 175.585 174.700 -0.283 0.000 0.986 706 T CA 0.079 61.961 62.100 -0.363 0.000 0.999 706 T CB 1.034 69.458 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 4.480 4.320 0.008 0.000 0.217 707 A C 1.598 179.300 177.584 0.196 0.000 1.153 707 A CA 0.723 52.804 52.037 0.075 0.000 0.692 707 A CB -0.786 18.326 19.000 0.186 0.000 0.799 707 A HN 0.903 nan 8.150 nan 0.000 0.458 708 W N -0.670 120.689 121.300 0.097 0.000 2.714 708 W HA 0.416 5.081 4.660 0.009 0.000 0.353 708 W C -0.128 176.364 176.519 -0.046 0.000 0.999 708 W CA 0.441 57.813 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 -0.746 0.000 2.569 709 S HA 0.474 4.949 4.470 0.008 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 -0.695 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 0.857 120.939 120.200 -0.196 0.000 2.342 710 E HA 0.554 4.909 4.350 0.008 0.000 0.257 710 E C 0.386 176.946 176.600 -0.067 0.000 1.150 710 E CA -0.495 55.853 56.400 -0.086 0.000 0.926 710 E CB 1.236 30.937 29.700 0.002 0.000 1.074 710 E HN 0.895 nan 8.360 nan 0.000 0.449 711 A N -0.368 122.429 122.820 -0.038 0.000 2.407 711 A HA 0.452 4.777 4.320 0.008 0.000 0.248 711 A C 1.012 178.608 177.584 0.021 0.000 1.082 711 A CA 0.573 52.599 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 0.319 109.141 108.800 0.037 0.000 2.143 712 G HA2 -0.240 3.725 3.960 0.008 0.000 0.248 712 G HA3 -0.240 3.725 3.960 0.008 0.000 0.248 712 G C 0.125 175.075 174.900 0.084 0.000 0.991 712 G CA 0.754 45.880 45.100 0.043 0.000 0.689 712 G HN 1.661 nan 8.290 nan 0.000 0.522 713 H N -0.011 119.068 119.070 0.014 0.000 2.732 713 H HA 0.557 5.118 4.556 0.008 0.000 0.351 713 H C 0.681 176.080 175.328 0.119 0.000 1.090 713 H CA -0.116 55.966 56.048 0.058 0.000 1.431 713 H CB 0.345 30.126 29.762 0.032 0.000 1.447 713 H HN 0.254 nan 8.280 nan 0.000 0.582 714 I N 4.327 124.654 120.570 -0.404 0.000 2.315 714 I HA 0.065 4.240 4.170 0.008 0.000 0.291 714 I C 0.829 176.831 176.117 -0.192 0.000 1.006 714 I CA -0.070 61.136 61.300 -0.157 0.000 1.265 714 I CB 1.673 39.632 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 0.215 0.000 2.502 715 S HA 0.582 5.057 4.470 0.008 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 64.085 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 5.006 4.320 0.008 0.000 0.290 716 A C -1.896 176.061 177.584 0.622 0.000 1.071 716 A CA -0.722 51.596 52.037 0.468 0.000 0.658 716 A CB 0.249 19.577 19.000 0.546 0.000 1.285 716 A HN 1.038 nan 8.150 nan 0.000 0.427 717 W N -0.858 120.609 121.300 0.278 0.000 2.982 717 W HA 0.751 5.417 4.660 0.009 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 1.178 nan 8.180 nan 0.000 0.570 718 Q N 1.651 121.445 119.800 -0.010 0.000 2.545 718 Q HA 0.358 4.703 4.340 0.008 0.000 0.273 718 Q C -1.760 174.005 176.000 -0.391 0.000 0.975 718 Q CA -0.584 55.034 55.803 -0.308 0.000 0.876 718 Q CB 2.216 30.540 28.738 -0.691 0.000 1.472 718 Q HN 0.673 nan 8.270 nan 0.000 0.389 719 Q N 2.954 122.485 119.800 -0.447 0.000 2.421 719 Q HA 0.666 5.011 4.340 0.008 0.000 0.280 719 Q C -1.385 174.532 176.000 -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 30.491 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 5.156 4.660 0.008 0.000 0.336 720 W C -0.347 176.196 176.519 0.040 0.000 1.173 720 W CA -0.883 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 2.050 122.444 120.500 -0.178 0.000 2.254 721 R HA 0.344 4.689 4.340 0.008 0.000 0.318 721 R C 0.408 176.486 176.300 -0.370 0.000 1.031 721 R CA -0.151 55.424 56.100 -0.876 0.000 0.905 721 R CB 0.849 30.299 30.300 -1.417 0.000 1.050 721 R HN 0.637 nan 8.270 nan 0.000 0.456 722 L N 2.626 123.659 121.223 -0.318 0.000 2.316 722 L HA 0.355 4.700 4.340 0.008 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 -0.350 122.347 122.820 -0.204 0.000 2.586 723 A HA 0.595 4.920 4.320 0.008 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 1.641 20.590 19.000 -0.086 0.000 1.281 723 A HN 0.005 nan 8.150 nan 0.000 0.421 724 E N 0.673 120.814 120.200 -0.098 0.000 2.263 724 E HA 0.412 4.767 4.350 0.008 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 1.192 30.849 29.700 -0.072 0.000 1.196 724 E HN 0.600 nan 8.360 nan 0.000 0.416 725 N N 4.986 123.682 118.700 -0.008 0.000 2.511 725 N HA 0.280 5.025 4.740 0.008 0.000 0.249 725 N C -0.503 175.016 175.510 0.016 0.000 0.971 725 N CA -0.320 52.732 53.050 0.005 0.000 0.938 725 N CB 1.250 39.744 38.487 0.011 0.000 1.131 725 N HN 0.462 nan 8.380 nan 0.000 0.505 726 L N 0.761 121.993 121.223 0.014 0.000 2.439 726 L HA 0.104 4.449 4.340 0.008 0.000 0.269 726 L C 1.204 178.091 176.870 0.028 0.000 1.179 726 L CA 0.081 54.935 54.840 0.023 0.000 0.828 726 L CB 0.639 42.709 42.059 0.019 0.000 1.106 726 L HN 0.364 nan 8.230 nan 0.000 0.467 727 S N 1.526 117.249 115.700 0.037 0.000 2.400 727 S HA 0.241 4.716 4.470 0.008 0.000 0.295 727 S C 0.450 175.070 174.600 0.033 0.000 1.113 727 S CA -0.872 57.350 58.200 0.038 0.000 1.064 727 S CB 0.329 63.557 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 4.397 4.120 0.008 0.000 0.354 728 V C 0.748 176.855 176.094 0.022 0.000 1.350 728 V CA -0.382 61.932 62.300 0.023 0.000 1.244 728 V CB -1.021 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 0.259 114.828 114.554 0.025 0.000 2.770 729 T HA 0.739 5.094 4.350 0.008 0.000 0.283 729 T C -0.499 174.215 174.700 0.023 0.000 0.988 729 T CA -0.674 61.439 62.100 0.022 0.000 0.957 729 T CB 1.473 70.354 68.868 0.021 0.000 0.930 729 T HN 0.206 nan 8.240 nan 0.000 0.443 730 L N 3.214 124.447 121.223 0.017 0.000 2.380 730 L HA 0.600 4.945 4.340 0.008 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 40.953 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 1.731 124.531 122.820 -0.034 0.000 2.476 732 A HA 0.424 4.749 4.320 0.008 0.000 0.275 732 A C 0.867 178.391 177.584 -0.101 0.000 1.133 732 A CA -0.066 51.938 52.037 -0.055 0.000 0.797 732 A CB -1.051 17.917 19.000 -0.054 0.000 1.081 732 A HN 0.700 nan 8.150 nan 0.000 0.510 733 A N 4.449 127.228 122.820 -0.067 0.000 2.558 733 A HA 0.353 4.678 4.320 0.008 0.000 0.262 733 A C 1.075 178.578 177.584 -0.134 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 1.667 nan 8.150 nan 0.000 0.520 734 S N 2.883 118.503 115.700 -0.134 0.000 2.817 734 S HA -0.108 4.367 4.470 0.008 0.000 0.333 734 S C 0.799 175.331 174.600 -0.115 0.000 1.227 734 S CA 0.882 58.985 58.200 -0.162 0.000 1.027 734 S CB -0.207 62.943 63.200 -0.084 0.000 0.732 734 S HN 0.802 nan 8.310 nan 0.000 0.499 735 H N 1.769 120.841 119.070 0.004 0.000 2.326 735 H HA 0.115 4.676 4.556 0.008 0.000 0.301 735 H C 1.535 176.865 175.328 0.003 0.000 1.081 735 H CA 1.069 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 0.759 nan 8.280 nan 0.000 0.504 736 A N 0.779 123.663 122.820 0.106 0.000 2.450 736 A HA 0.609 4.934 4.320 0.008 0.000 0.281 736 A C -0.372 177.200 177.584 -0.020 0.000 1.372 736 A CA -0.305 51.757 52.037 0.041 0.000 0.886 736 A CB 0.484 19.504 19.000 0.033 0.000 1.462 736 A HN 0.323 nan 8.150 nan 0.000 0.514 737 I N -1.360 119.157 120.570 -0.089 0.000 2.741 737 I HA 0.488 4.663 4.170 0.008 0.000 0.288 737 I C -2.994 172.906 176.117 -0.362 0.000 1.482 737 I CA -1.699 59.513 61.300 -0.146 0.000 1.050 737 I CB 2.522 40.478 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 63.076 63.100 -0.311 0.000 0.789 738 P CB 0.349 31.962 31.700 -0.144 0.000 0.933 739 H N 0.911 120.014 119.070 0.055 0.000 2.467 739 H HA 0.471 5.032 4.556 0.008 0.000 0.326 739 H C -0.408 174.953 175.328 0.056 0.000 1.094 739 H CA -0.975 55.100 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 3.000 124.320 121.223 0.161 0.000 2.280 740 L HA 0.355 4.700 4.340 0.008 0.000 0.287 740 L C -0.492 176.457 176.870 0.132 0.000 1.023 740 L CA -0.051 54.859 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 4.269 118.916 114.554 0.156 0.000 2.772 741 T HA 0.471 4.826 4.350 0.008 0.000 0.288 741 T C 0.043 174.848 174.700 0.175 0.000 0.994 741 T CA -0.229 61.950 62.100 0.132 0.000 0.951 741 T CB 0.649 69.577 68.868 0.100 0.000 0.933 741 T HN 0.746 nan 8.240 nan 0.000 0.447 742 T N 2.644 117.297 114.554 0.165 0.000 2.847 742 T HA 0.729 5.084 4.350 0.008 0.000 0.279 742 T C 0.172 174.900 174.700 0.048 0.000 0.984 742 T CA -0.669 61.536 62.100 0.174 0.000 0.988 742 T CB 1.262 70.250 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 4.684 4.470 0.008 0.000 0.266 743 S C 0.295 174.816 174.600 -0.131 0.000 1.130 743 S CA -0.339 57.823 58.200 -0.063 0.000 0.817 743 S CB 0.751 63.926 63.200 -0.042 0.000 1.107 743 S HN 0.828 nan 8.310 nan 0.000 0.471 744 E N 0.571 120.713 120.200 -0.096 0.000 2.435 744 E HA 0.092 4.447 4.350 0.008 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 4.673 4.480 0.008 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 31.994 32.600 -0.037 0.000 1.369 745 M HN 0.236 nan 8.290 nan 0.000 0.450 746 D N -2.460 117.826 120.400 -0.191 0.000 2.779 746 D HA 0.410 5.055 4.640 0.008 0.000 0.331 746 D C -1.283 174.861 176.300 -0.259 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 5.139 4.527 0.008 0.000 0.325 747 F C -0.431 175.492 175.800 0.204 0.000 1.116 747 F CA -0.821 57.251 58.000 0.120 0.000 0.930 747 F CB 1.868 40.904 39.000 0.060 0.000 1.146 747 F HN 0.320 nan 8.300 nan 0.000 0.447 748 C N 3.970 123.490 119.300 0.367 0.000 2.456 748 C HA 0.750 5.215 4.460 0.008 0.000 0.325 748 C C -0.488 174.681 174.990 0.298 0.000 1.217 748 C CA -0.823 58.390 59.018 0.326 0.000 1.687 748 C CB 1.077 28.946 27.740 0.217 0.000 2.270 748 C HN 0.514 nan 8.230 nan 0.000 0.499 749 I N 3.767 124.567 120.570 0.383 0.000 2.436 749 I HA 0.468 4.643 4.170 0.008 0.000 0.289 749 I C -0.316 176.090 176.117 0.481 0.000 1.010 749 I CA -0.077 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 7.637 128.037 120.200 0.334 0.000 2.266 750 E HA 0.771 5.126 4.350 0.008 0.000 0.268 750 E C -1.257 175.491 176.600 0.246 0.000 0.879 750 E CA -1.013 55.563 56.400 0.294 0.000 0.762 750 E CB 2.864 32.662 29.700 0.163 0.000 1.199 750 E HN 0.620 nan 8.360 nan 0.000 0.422 751 L N 1.069 122.444 121.223 0.254 0.000 2.795 751 L HA 0.517 4.862 4.340 0.008 0.000 0.260 751 L C 0.170 177.116 176.870 0.126 0.000 0.935 751 L CA 0.619 55.559 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 4.396 113.243 108.800 0.078 0.000 2.547 752 G HA2 -0.387 3.578 3.960 0.008 0.000 0.271 752 G HA3 -0.387 3.578 3.960 0.008 0.000 0.271 752 G C 0.493 175.396 174.900 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 0.900 119.584 118.700 -0.026 0.000 2.409 753 N HA 0.007 4.752 4.740 0.008 0.000 0.179 753 N C 0.773 176.222 175.510 -0.102 0.000 1.032 753 N CA 1.302 54.319 53.050 -0.056 0.000 0.898 753 N CB -0.107 38.350 38.487 -0.051 0.000 0.971 753 N HN 0.778 nan 8.380 nan 0.000 0.441 754 K N 0.710 121.018 120.400 -0.153 0.000 2.350 754 K HA 0.216 4.541 4.320 0.008 0.000 0.279 754 K C -0.032 176.326 176.600 -0.403 0.000 1.027 754 K CA -0.096 55.963 56.287 -0.379 0.000 0.969 754 K CB 1.107 33.288 32.500 -0.532 0.000 0.954 754 K HN 0.112 nan 8.250 nan 0.000 0.474 755 R N 2.922 123.127 120.500 -0.490 0.000 2.626 755 R HA 0.318 4.663 4.340 0.008 0.000 0.274 755 R C -1.708 174.513 176.300 -0.131 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 3.597 125.030 121.300 0.221 0.000 2.739 756 W HA 0.335 4.999 4.660 0.008 0.000 0.331 756 W C -0.633 176.023 176.519 0.228 0.000 1.049 756 W CA -0.664 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 2.729 122.714 119.800 0.307 0.000 2.340 757 Q HA 0.457 4.802 4.340 0.008 0.000 0.268 757 Q C -1.911 174.100 176.000 0.018 0.000 1.031 757 Q CA -0.535 55.444 55.803 0.293 0.000 0.804 757 Q CB 1.652 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 2.767 122.822 119.950 0.176 0.000 2.426 758 F HA 0.300 4.832 4.527 0.008 0.000 0.348 758 F C 0.549 176.416 175.800 0.111 0.000 1.124 758 F CA -0.973 57.105 58.000 0.129 0.000 1.008 758 F CB 1.272 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 3.649 122.472 118.700 0.206 0.000 2.420 759 N HA 0.070 4.815 4.740 0.008 0.000 0.262 759 N C 0.889 176.443 175.510 0.074 0.000 1.144 759 N CA -0.030 53.087 53.050 0.111 0.000 0.952 759 N CB 0.693 39.237 38.487 0.095 0.000 1.081 759 N HN 0.670 nan 8.380 nan 0.000 0.480 760 R N 2.694 123.169 120.500 -0.041 0.000 2.285 760 R HA -0.098 4.247 4.340 0.008 0.000 0.213 760 R C 1.120 177.382 176.300 -0.063 0.000 1.068 760 R CA 1.109 57.148 56.100 -0.101 0.000 1.004 760 R CB 0.137 30.239 30.300 -0.329 0.000 0.873 760 R HN 0.648 nan 8.270 nan 0.000 0.467 761 Q N 0.097 119.875 119.800 -0.037 0.000 2.204 761 Q HA -0.015 4.330 4.340 0.008 0.000 0.198 761 Q C 2.146 178.128 176.000 -0.030 0.000 0.946 761 Q CA 1.504 57.288 55.803 -0.031 0.000 0.859 761 Q CB 0.274 29.003 28.738 -0.014 0.000 0.946 761 Q HN 0.310 nan 8.270 nan 0.000 0.474 762 S N -1.030 114.668 115.700 -0.002 0.000 2.456 762 S HA 0.230 4.705 4.470 0.008 0.000 0.224 762 S C 1.638 176.117 174.600 -0.202 0.000 1.035 762 S CA 0.527 58.723 58.200 -0.007 0.000 0.940 762 S CB 0.319 63.613 63.200 0.156 0.000 0.799 762 S HN 0.486 nan 8.310 nan 0.000 0.508 763 G N 0.329 109.049 108.800 -0.133 0.000 2.141 763 G HA2 -0.186 3.779 3.960 0.008 0.000 0.231 763 G HA3 -0.186 3.779 3.960 0.008 0.000 0.231 763 G C -0.096 174.718 174.900 -0.143 0.000 0.984 763 G CA 0.107 45.128 45.100 -0.132 0.000 0.660 763 G HN 0.529 nan 8.290 nan 0.000 0.525 764 F N -0.805 119.312 119.950 0.278 0.000 2.507 764 F HA 0.658 5.190 4.527 0.008 0.000 0.327 764 F C 0.609 176.410 175.800 0.001 0.000 1.068 764 F CA -1.371 56.741 58.000 0.187 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 1.986 123.228 121.223 0.032 0.000 2.433 765 L HA 0.192 4.537 4.340 0.008 0.000 0.284 765 L C 0.756 177.509 176.870 -0.196 0.000 1.120 765 L CA 0.396 54.917 54.840 -0.533 0.000 0.879 765 L CB 0.300 41.897 42.059 -0.771 0.000 1.232 765 L HN 0.687 nan 8.230 nan 0.000 0.454 766 S N 2.587 118.198 115.700 -0.147 0.000 2.446 766 S HA 0.106 4.581 4.470 0.008 0.000 0.225 766 S C 0.552 175.052 174.600 -0.166 0.000 1.016 766 S CA 0.345 58.502 58.200 -0.071 0.000 0.943 766 S CB -0.149 63.052 63.200 0.002 0.000 0.786 766 S HN 0.743 nan 8.310 nan 0.000 0.508 767 Q N -0.196 119.457 119.800 -0.245 0.000 2.702 767 Q HA 0.664 5.009 4.340 0.008 0.000 0.289 767 Q C -1.725 173.982 176.000 -0.490 0.000 0.923 767 Q CA -0.600 54.943 55.803 -0.433 0.000 0.787 767 Q CB 1.474 29.861 28.738 -0.584 0.000 1.476 767 Q HN 0.345 nan 8.270 nan 0.000 0.402 768 M N 0.864 120.027 119.600 -0.729 0.000 2.413 768 M HA 0.741 5.226 4.480 0.008 0.000 0.287 768 M C -2.100 173.806 176.300 -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 34.111 32.600 -0.510 0.000 1.715 768 M HN 0.548 nan 8.290 nan 0.000 0.478 769 W N 4.038 125.127 121.300 -0.352 0.000 2.844 769 W HA 0.618 5.283 4.660 0.008 0.000 0.340 769 W C -1.555 174.765 176.519 -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 31.343 29.460 -0.203 0.000 1.422 769 W HN 0.545 nan 8.180 nan 0.000 0.515 770 I N 2.737 123.316 120.570 0.016 0.000 2.405 770 I HA 0.408 4.583 4.170 0.008 0.000 0.280 770 I C 0.750 176.862 176.117 -0.008 0.000 1.027 770 I CA 0.687 61.944 61.300 -0.072 0.000 1.161 770 I CB 0.749 38.684 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 3.659 3.960 0.008 0.000 0.265 771 G HA3 -0.306 3.659 3.960 0.008 0.000 0.265 771 G C 0.359 175.275 174.900 0.028 0.000 1.150 771 G CA 0.405 45.498 45.100 -0.013 0.000 0.959 771 G HN 0.597 nan 8.290 nan 0.000 0.556 772 D N 1.007 121.435 120.400 0.047 0.000 2.354 772 D HA 0.218 4.863 4.640 0.008 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 0.614 nan 8.370 nan 0.000 0.520 773 K N 0.940 121.448 120.400 0.181 0.000 2.258 773 K HA 0.367 4.692 4.320 0.008 0.000 0.284 773 K C -0.107 176.500 176.600 0.012 0.000 1.051 773 K CA -0.394 55.953 56.287 0.100 0.000 0.923 773 K CB 1.290 33.796 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 4.418 4.320 0.008 0.000 0.264 774 K C 0.725 177.129 176.600 -0.326 0.000 1.008 774 K CA -0.261 55.691 56.287 -0.560 0.000 0.937 774 K CB 0.754 32.951 32.500 -0.505 0.000 1.002 774 K HN 0.469 nan 8.250 nan 0.000 0.469 775 Q N 0.986 120.569 119.800 -0.361 0.000 2.391 775 Q HA 0.205 4.550 4.340 0.008 0.000 0.243 775 Q C 0.076 175.987 176.000 -0.148 0.000 0.874 775 Q CA 0.410 56.115 55.803 -0.164 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 0.827 121.911 121.223 -0.232 0.000 2.352 776 L HA 0.383 4.728 4.340 0.008 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 1.108 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 -0.180 120.912 121.223 -0.218 0.000 2.749 777 L HA 0.270 4.615 4.340 0.008 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 0.519 114.952 114.554 -0.201 0.000 2.933 778 T HA 0.392 4.747 4.350 0.008 0.000 0.305 778 T C -2.698 171.941 174.700 -0.100 0.000 1.092 778 T CA -1.074 60.946 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 -0.722 62.360 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 3.927 125.154 121.223 0.007 0.000 2.369 780 L HA 0.228 4.573 4.340 0.008 0.000 0.279 780 L C 0.510 177.308 176.870 -0.119 0.000 1.108 780 L CA 0.508 55.374 54.840 0.044 0.000 0.852 780 L CB -0.648 41.539 42.059 0.215 0.000 1.169 780 L HN 0.415 nan 8.230 nan 0.000 0.452 781 R N 1.922 122.278 120.500 -0.240 0.000 2.799 781 R HA 0.630 4.975 4.340 0.008 0.000 0.270 781 R C -1.144 174.982 176.300 -0.289 0.000 1.010 781 R CA -1.088 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 1.121 121.389 120.400 -0.220 0.000 2.443 782 D HA 0.021 4.666 4.640 0.008 0.000 0.239 782 D C -0.652 175.241 176.300 -0.678 0.000 1.136 782 D CA 0.490 54.250 54.000 -0.400 0.000 0.879 782 D CB 0.685 41.233 40.800 -0.420 0.000 1.195 782 D HN 0.352 nan 8.370 nan 0.000 0.443 783 Q N 1.552 120.779 119.800 -0.955 0.000 2.304 783 Q HA 0.364 4.709 4.340 0.008 0.000 0.270 783 Q C -1.071 174.223 176.000 -1.178 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 -0.453 0.000 1.261 783 Q HN 0.538 nan 8.270 nan 0.000 0.444 784 F N 0.513 120.108 119.950 -0.592 0.000 2.746 784 F HA 0.188 4.719 4.527 0.008 0.000 0.320 784 F C 0.726 176.114 175.800 -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 39.609 39.000 -1.191 0.000 1.056 784 F HN 0.428 nan 8.300 nan 0.000 0.562 785 T N -0.614 113.675 114.554 -0.441 0.000 2.883 785 T HA 0.823 5.178 4.350 0.008 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 71.099 68.868 -0.614 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 5.054 4.340 0.008 0.000 0.269 786 R C -1.267 175.081 176.300 0.079 0.000 1.037 786 R CA -1.108 54.927 56.100 -0.108 0.000 0.894 786 R CB 1.265 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 3.775 126.630 122.820 0.058 0.000 2.444 787 A HA 0.333 4.658 4.320 0.008 0.000 0.287 787 A C -2.046 175.599 177.584 0.100 0.000 1.195 787 A CA -1.439 50.636 52.037 0.063 0.000 0.858 787 A CB -0.502 18.485 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 0.719 63.975 63.100 0.260 0.000 0.759 788 P CB 0.121 31.996 31.700 0.292 0.000 0.753 789 L N 2.586 123.886 121.223 0.129 0.000 2.468 789 L HA 0.215 4.560 4.340 0.008 0.000 0.254 789 L C 1.800 178.690 176.870 0.034 0.000 1.171 789 L CA -0.534 54.324 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 0.378 120.739 120.400 -0.066 0.000 2.133 790 D HA -0.176 4.469 4.640 0.008 0.000 0.195 790 D C 1.643 177.884 176.300 -0.099 0.000 0.997 790 D CA 1.508 55.397 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 1.031 119.696 118.700 -0.058 0.000 2.244 791 N HA -0.109 4.636 4.740 0.008 0.000 0.183 791 N C 1.198 176.739 175.510 0.051 0.000 1.016 791 N CA 0.734 53.779 53.050 -0.007 0.000 0.866 791 N CB -0.221 38.252 38.487 -0.023 0.000 0.980 791 N HN 0.287 nan 8.380 nan 0.000 0.430 792 D N 0.468 120.914 120.400 0.076 0.000 2.224 792 D HA -0.001 4.644 4.640 0.008 0.000 0.205 792 D C 1.990 178.357 176.300 0.111 0.000 0.965 792 D CA 0.477 54.562 54.000 0.140 0.000 0.852 792 D CB 0.115 41.081 40.800 0.275 0.000 0.947 792 D HN 0.336 nan 8.370 nan 0.000 0.494 793 I N 0.210 120.829 120.570 0.082 0.000 2.429 793 I HA 0.068 4.243 4.170 0.008 0.000 0.247 793 I C 1.841 177.992 176.117 0.056 0.000 1.099 793 I CA 0.753 62.088 61.300 0.058 0.000 1.422 793 I CB -0.348 37.661 38.000 0.014 0.000 1.112 793 I HN 0.084 nan 8.210 nan 0.000 0.430 794 G N 1.090 109.934 108.800 0.074 0.000 2.531 794 G HA2 -0.317 3.648 3.960 0.008 0.000 0.274 794 G HA3 -0.317 3.648 3.960 0.008 0.000 0.274 794 G C 0.589 175.662 174.900 0.289 0.000 1.159 794 G CA 0.588 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 -1.922 118.116 119.914 0.208 0.000 3.444 795 V HA 0.625 4.750 4.120 0.008 0.000 0.308 795 V C 1.226 177.355 176.094 0.058 0.000 1.371 795 V CA 1.158 63.534 62.300 0.126 0.000 1.141 795 V CB 0.164 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 1.186 116.920 115.700 0.057 0.000 2.537 796 S HA 0.310 4.785 4.470 0.008 0.000 0.286 796 S C -0.086 174.537 174.600 0.038 0.000 1.299 796 S CA 0.123 58.340 58.200 0.028 0.000 1.067 796 S CB 0.434 63.647 63.200 0.021 0.000 0.864 796 S HN 0.793 nan 8.310 nan 0.000 0.494 797 E N 1.862 122.077 120.200 0.025 0.000 2.378 797 E HA 0.678 5.033 4.350 0.008 0.000 0.265 797 E C 0.614 177.232 176.600 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 0.173 123.015 122.820 0.037 0.000 1.930 798 A HA -0.133 4.192 4.320 0.008 0.000 0.217 798 A C 1.800 179.398 177.584 0.024 0.000 1.175 798 A CA 2.206 54.263 52.037 0.034 0.000 0.627 798 A CB -0.836 18.189 19.000 0.041 0.000 0.815 798 A HN 0.650 nan 8.150 nan 0.000 0.443 799 T N -0.563 114.004 114.554 0.021 0.000 2.588 799 T HA -0.070 4.285 4.350 0.008 0.000 0.261 799 T C 1.248 175.950 174.700 0.004 0.000 1.069 799 T CA 1.048 63.155 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 1.045 121.544 120.500 -0.003 0.000 2.369 800 R HA 0.389 4.734 4.340 0.008 0.000 0.310 800 R C -1.203 175.091 176.300 -0.011 0.000 1.141 800 R CA -0.438 55.654 56.100 -0.013 0.000 1.116 800 R CB -0.128 30.155 30.300 -0.028 0.000 1.135 800 R HN 0.232 nan 8.270 nan 0.000 0.529 801 I N 2.314 122.880 120.570 -0.008 0.000 2.556 801 I HA -0.085 4.090 4.170 0.008 0.000 0.284 801 I C 0.287 176.391 176.117 -0.021 0.000 1.114 801 I CA 0.397 61.692 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 9.395 129.781 120.400 -0.024 0.000 2.485 802 D HA 0.292 4.937 4.640 0.008 0.000 0.221 802 D C -1.767 174.495 176.300 -0.062 0.000 1.112 802 D CA -2.284 51.692 54.000 -0.040 0.000 0.911 802 D CB 1.093 41.874 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 0.768 177.978 177.300 -0.150 0.000 1.146 803 P CA 0.703 63.748 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 -0.623 117.980 118.700 -0.161 0.000 2.405 804 N HA 0.073 4.818 4.740 0.008 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 -0.243 0.000 0.899 804 N CB -0.046 38.324 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 4.267 4.320 0.008 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 18.784 19.000 -0.071 0.000 0.980 805 A HN 0.385 nan 8.150 nan 0.000 0.506 806 W N 1.928 122.983 121.300 -0.408 0.000 2.304 806 W HA -0.221 4.443 4.660 0.008 0.000 0.315 806 W C 2.268 178.216 176.519 -0.953 0.000 1.233 806 W CA 1.924 58.754 57.345 -0.859 0.000 1.261 806 W CB -0.417 28.423 29.460 -1.033 0.000 1.150 806 W HN 0.586 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 3.817 4.120 0.008 0.000 0.250 807 V C 2.273 178.474 176.094 0.178 0.000 1.060 807 V CA 2.284 64.714 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 0.148 120.358 120.200 0.016 0.000 2.058 808 E HA -0.211 4.144 4.350 0.008 0.000 0.194 808 E C 2.353 178.934 176.600 -0.031 0.000 0.997 808 E CA 1.571 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 -0.309 120.091 120.500 -0.166 0.000 2.083 809 R HA -0.147 4.198 4.340 0.008 0.000 0.237 809 R C 2.343 178.589 176.300 -0.089 0.000 1.137 809 R CA 1.326 57.303 56.100 -0.204 0.000 0.951 809 R CB -0.372 29.692 30.300 -0.393 0.000 0.851 809 R HN 0.280 nan 8.270 nan 0.000 0.434 810 W N 1.705 122.973 121.300 -0.053 0.000 2.355 810 W HA -0.054 4.612 4.660 0.009 0.000 0.309 810 W C 2.136 178.604 176.519 -0.085 0.000 1.206 810 W CA 0.499 57.721 57.345 -0.205 0.000 1.284 810 W CB -0.751 28.714 29.460 0.009 0.000 1.145 810 W HN 0.104 nan 8.180 nan 0.000 0.502 811 K N 0.119 120.754 120.400 0.393 0.000 1.991 811 K HA -0.158 4.167 4.320 0.008 0.000 0.212 811 K C 2.240 178.914 176.600 0.124 0.000 1.049 811 K CA 2.138 58.619 56.287 0.324 0.000 0.932 811 K CB -0.709 31.928 32.500 0.229 0.000 0.717 811 K HN -0.014 nan 8.250 nan 0.000 0.441 812 A N 0.902 123.761 122.820 0.065 0.000 2.024 812 A HA -0.137 4.188 4.320 0.008 0.000 0.220 812 A C 2.136 179.715 177.584 -0.008 0.000 1.164 812 A CA 1.946 54.000 52.037 0.028 0.000 0.643 812 A CB -0.556 18.446 19.000 0.003 0.000 0.806 812 A HN 0.393 nan 8.150 nan 0.000 0.451 813 A N -2.308 120.470 122.820 -0.071 0.000 2.218 813 A HA 0.423 4.748 4.320 0.008 0.000 0.209 813 A C 1.810 179.273 177.584 -0.201 0.000 1.168 813 A CA 1.184 53.164 52.037 -0.095 0.000 0.804 813 A CB -0.661 18.246 19.000 -0.154 0.000 0.834 813 A HN 1.847 nan 8.150 nan 0.000 0.482 814 G N -1.552 107.025 108.800 -0.373 0.000 2.175 814 G HA2 -0.305 3.660 3.960 0.008 0.000 0.244 814 G HA3 -0.305 3.660 3.960 0.008 0.000 0.244 814 G C 0.684 175.538 174.900 -0.075 0.000 0.982 814 G CA 0.650 45.312 45.100 -0.730 0.000 0.641 814 G HN 0.705 nan 8.290 nan 0.000 0.527 815 H N -1.061 117.957 119.070 -0.086 0.000 2.357 815 H HA -0.176 4.384 4.556 0.008 0.000 0.296 815 H C 2.221 177.501 175.328 -0.079 0.000 1.108 815 H CA 1.792 57.802 56.048 -0.064 0.000 1.273 815 H CB -0.029 29.625 29.762 -0.181 0.000 1.367 815 H HN 0.599 nan 8.280 nan 0.000 0.498 816 Y N 0.685 121.104 120.300 0.199 0.000 2.509 816 Y HA -0.099 4.456 4.550 0.008 0.000 0.293 816 Y C 1.858 177.844 175.900 0.142 0.000 1.133 816 Y CA 0.646 58.828 58.100 0.137 0.000 1.283 816 Y CB 0.412 38.938 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 4.790 4.340 0.008 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 0.357 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 4.691 4.320 0.008 0.000 0.257 818 A C -0.172 177.674 177.584 0.436 0.000 1.087 818 A CA -0.152 52.121 52.037 0.393 0.000 0.798 818 A CB 0.454 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 0.730 121.127 120.200 0.329 0.000 2.171 819 E HA 0.503 4.858 4.350 0.008 0.000 0.271 819 E C -0.135 176.466 176.600 0.002 0.000 0.916 819 E CA -0.637 55.885 56.400 0.204 0.000 0.774 819 E CB 1.950 31.738 29.700 0.146 0.000 1.128 819 E HN 0.774 nan 8.360 nan 0.000 0.403 820 A N 2.145 124.861 122.820 -0.173 0.000 2.386 820 A HA 0.597 4.922 4.320 0.008 0.000 0.246 820 A C -0.257 177.189 177.584 -0.230 0.000 1.089 820 A CA 0.044 51.749 52.037 -0.554 0.000 0.790 820 A CB 0.472 19.200 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 4.842 4.320 0.008 0.000 0.284 821 A C -0.816 176.629 177.584 -0.232 0.000 1.049 821 A CA -0.517 51.429 52.037 -0.152 0.000 0.760 821 A CB 0.651 19.592 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 0.192 4.537 4.340 0.008 0.000 0.271 822 L C 0.643 177.361 176.870 -0.253 0.000 1.178 822 L CA 0.200 54.788 54.840 -0.418 0.000 0.907 822 L CB 0.068 41.940 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 0.218 4.563 4.340 0.008 0.000 0.215 823 L C 0.528 177.339 176.870 -0.098 0.000 1.065 823 L CA 0.115 54.882 54.840 -0.122 0.000 0.842 823 L CB 0.165 42.186 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 0.379 4.724 4.340 0.008 0.000 0.280 824 Q C -1.883 174.079 176.000 -0.062 0.000 0.977 824 Q CA -0.716 55.046 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 2.897 122.198 119.300 0.002 0.000 2.968 825 C HA 0.732 5.197 4.460 0.008 0.000 0.389 825 C C -1.248 173.824 174.990 0.138 0.000 1.068 825 C CA 0.697 59.755 59.018 0.067 0.000 1.272 825 C CB 0.561 28.349 27.740 0.080 0.000 1.711 825 C HN 0.864 nan 8.230 nan 0.000 0.501 826 T N 2.529 117.098 114.554 0.025 0.000 2.903 826 T HA 0.882 5.237 4.350 0.008 0.000 0.299 826 T C -0.474 173.995 174.700 -0.384 0.000 1.093 826 T CA -0.119 61.932 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 1.730 nan 8.240 nan 0.000 0.488 827 A N 2.027 124.481 122.820 -0.609 0.000 2.350 827 A HA 0.796 5.121 4.320 0.008 0.000 0.324 827 A C -0.940 176.427 177.584 -0.361 0.000 1.118 827 A CA -0.658 50.942 52.037 -0.727 0.000 0.783 827 A CB 1.152 19.373 19.000 -1.299 0.000 1.236 827 A HN 0.886 nan 8.150 nan 0.000 0.457 828 D N 0.356 120.590 120.400 -0.278 0.000 2.756 828 D HA 0.499 5.144 4.640 0.008 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 4.735 4.350 0.008 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 69.533 68.868 -0.044 0.000 0.927 829 T HN 0.049 nan 8.240 nan 0.000 0.448 830 L N 2.171 123.359 121.223 -0.060 0.000 2.400 830 L HA 0.574 4.919 4.340 0.008 0.000 0.264 830 L C 1.800 178.649 176.870 -0.036 0.000 1.061 830 L CA -0.394 54.418 54.840 -0.047 0.000 0.799 830 L CB 0.073 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 1.318 124.122 122.820 -0.027 0.000 1.903 831 A HA -0.197 4.128 4.320 0.008 0.000 0.219 831 A C 0.974 178.545 177.584 -0.022 0.000 1.191 831 A CA 2.291 54.317 52.037 -0.019 0.000 0.638 831 A CB -0.560 18.431 19.000 -0.015 0.000 0.823 831 A HN 0.843 nan 8.150 nan 0.000 0.451 832 D N -2.697 117.684 120.400 -0.032 0.000 2.563 832 D HA 0.574 5.219 4.640 0.008 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 -0.207 40.572 40.800 -0.034 0.000 1.066 832 D HN 0.608 nan 8.370 nan 0.000 0.501 833 A N -0.552 122.227 122.820 -0.069 0.000 2.566 833 A HA 0.608 4.933 4.320 0.008 0.000 0.290 833 A C -1.647 175.872 177.584 -0.108 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 0.675 4.800 4.120 0.008 0.000 0.299 834 V C -0.823 175.158 176.094 -0.187 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 4.976 4.340 0.008 0.000 0.276 835 L C -0.839 175.879 176.870 -0.253 0.000 0.997 835 L CA -0.022 54.711 54.840 -0.180 0.000 0.838 835 L CB 1.134 43.119 42.059 -0.123 0.000 1.224 835 L HN 0.391 nan 8.230 nan 0.000 0.416 836 I N 3.628 124.034 120.570 -0.273 0.000 2.428 836 I HA 0.555 4.730 4.170 0.008 0.000 0.296 836 I C 0.250 176.314 176.117 -0.088 0.000 0.985 836 I CA -0.412 60.675 61.300 -0.356 0.000 1.260 836 I CB 1.618 39.184 38.000 -0.722 0.000 1.389 836 I HN 0.539 nan 8.210 nan 0.000 0.484 837 T N 4.280 118.789 114.554 -0.075 0.000 2.879 837 T HA 0.623 4.978 4.350 0.008 0.000 0.290 837 T C -0.024 174.723 174.700 0.079 0.000 0.993 837 T CA -0.600 61.523 62.100 0.038 0.000 0.975 837 T CB 1.676 70.541 68.868 -0.005 0.000 0.981 837 T HN 0.813 nan 8.240 nan 0.000 0.439 838 T N -0.272 114.384 114.554 0.170 0.000 2.888 838 T HA 0.930 5.285 4.350 0.008 0.000 0.288 838 T C -1.128 173.671 174.700 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 1.258 124.126 122.820 0.080 0.000 2.500 839 A HA 0.678 5.003 4.320 0.008 0.000 0.291 839 A C -1.554 176.019 177.584 -0.019 0.000 1.048 839 A CA -0.798 51.325 52.037 0.142 0.000 0.791 839 A CB 0.614 19.664 19.000 0.084 0.000 1.309 839 A HN 0.963 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 5.428 4.556 0.008 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 -0.435 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 4.779 4.320 0.008 0.000 0.316 841 A C -1.329 176.292 177.584 0.061 0.000 1.104 841 A CA -0.725 51.403 52.037 0.153 0.000 0.768 841 A CB 1.082 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 2.107 123.508 121.300 0.169 0.000 2.433 842 W HA 0.463 5.128 4.660 0.009 0.000 0.315 842 W C -0.262 176.253 176.519 -0.008 0.000 1.087 842 W CA -0.242 57.187 57.345 0.139 0.000 1.205 842 W CB 1.699 31.289 29.460 0.216 0.000 1.288 842 W HN 0.829 nan 8.180 nan 0.000 0.504 843 Q N 1.958 121.890 119.800 0.220 0.000 2.501 843 Q HA 0.471 4.816 4.340 0.008 0.000 0.288 843 Q C -1.244 174.881 176.000 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 1.505 120.604 119.070 0.048 0.000 3.149 844 H HA 0.043 4.604 4.556 0.008 0.000 0.334 844 H C -0.866 174.488 175.328 0.045 0.000 1.000 844 H CA -0.111 55.976 56.048 0.065 0.000 1.415 844 H CB 1.066 30.878 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 4.160 4.340 0.008 0.000 0.289 845 Q C 0.850 176.819 176.000 -0.051 0.000 1.299 845 Q CA 1.210 56.901 55.803 -0.186 0.000 0.838 845 Q CB -2.321 26.293 28.738 -0.208 0.000 1.195 845 Q HN 1.175 nan 8.270 nan 0.000 0.456 846 G N -0.353 108.436 108.800 -0.020 0.000 2.153 846 G HA2 -0.355 3.610 3.960 0.008 0.000 0.252 846 G HA3 -0.355 3.610 3.960 0.008 0.000 0.252 846 G C -0.017 174.894 174.900 0.018 0.000 0.994 846 G CA 0.771 45.872 45.100 0.003 0.000 0.698 846 G HN 0.466 nan 8.290 nan 0.000 0.521 847 K N 1.065 121.485 120.400 0.033 0.000 2.274 847 K HA 0.652 4.977 4.320 0.008 0.000 0.262 847 K C 0.079 176.693 176.600 0.024 0.000 0.961 847 K CA -0.399 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 4.574 4.350 0.008 0.000 0.297 848 T C 1.199 175.843 174.700 -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 0.498 nan 8.240 nan 0.000 0.502 849 L N 2.429 123.491 121.223 -0.269 0.000 2.034 849 L HA 0.265 4.610 4.340 0.008 0.000 0.203 849 L C 0.164 176.634 176.870 -0.667 0.000 1.074 849 L CA 1.193 55.626 54.840 -0.680 0.000 0.748 849 L CB -0.114 41.082 42.059 -1.438 0.000 0.905 849 L HN 0.533 nan 8.230 nan 0.000 0.439 850 F N -1.380 118.530 119.950 -0.067 0.000 2.640 850 F HA 0.617 5.149 4.527 0.008 0.000 0.324 850 F C -0.366 175.540 175.800 0.176 0.000 1.077 850 F CA -0.944 56.990 58.000 -0.111 0.000 0.965 850 F CB 1.943 40.555 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 0.308 4.483 4.170 0.008 0.000 0.288 851 I C -1.039 175.364 176.117 0.477 0.000 1.077 851 I CA -0.522 61.051 61.300 0.456 0.000 1.051 851 I CB 2.203 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 5.072 4.470 0.008 0.000 0.310 852 S C -0.690 174.165 174.600 0.426 0.000 1.096 852 S CA -0.659 57.875 58.200 0.556 0.000 1.095 852 S CB 0.813 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 3.762 124.430 120.500 0.281 0.000 2.388 853 R HA 0.477 4.822 4.340 0.008 0.000 0.314 853 R C -0.677 175.698 176.300 0.125 0.000 0.959 853 R CA -0.719 55.506 56.100 0.209 0.000 0.851 853 R CB 1.788 32.186 30.300 0.163 0.000 1.168 853 R HN 0.573 nan 8.270 nan 0.000 0.472 854 K N 0.777 121.255 120.400 0.131 0.000 2.346 854 K HA 0.581 4.906 4.320 0.008 0.000 0.238 854 K C -0.435 176.172 176.600 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 -1.345 113.135 114.554 -0.125 0.000 3.032 855 T HA 0.472 4.827 4.350 0.008 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 0.277 69.132 68.868 -0.021 0.000 1.091 855 T HN 0.368 nan 8.240 nan 0.000 0.457 856 Y N 1.500 121.774 120.300 -0.044 0.000 2.352 856 Y HA 0.730 5.285 4.550 0.008 0.000 0.339 856 Y C 0.575 176.402 175.900 -0.121 0.000 0.992 856 Y CA -1.349 56.729 58.100 -0.036 0.000 1.100 856 Y CB 1.747 40.221 38.460 0.025 0.000 1.192 856 Y HN 0.822 nan 8.280 nan 0.000 0.458 857 R N 4.686 125.211 120.500 0.042 0.000 2.473 857 R HA 0.582 4.926 4.340 0.008 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 0.637 30.912 30.300 -0.043 0.000 1.173 857 R HN 0.823 nan 8.270 nan 0.000 0.464 858 I N 4.493 124.938 120.570 -0.208 0.000 2.392 858 I HA 0.270 4.445 4.170 0.008 0.000 0.295 858 I C -0.227 175.756 176.117 -0.224 0.000 0.985 858 I CA -0.730 60.377 61.300 -0.320 0.000 1.221 858 I CB 1.584 39.213 38.000 -0.619 0.000 1.366 858 I HN 0.720 nan 8.210 nan 0.000 0.467 859 D N 3.750 124.048 120.400 -0.170 0.000 2.553 859 D HA 0.255 4.900 4.640 0.008 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 1.096 41.855 40.800 -0.069 0.000 1.350 859 D HN 0.528 nan 8.370 nan 0.000 0.575 860 G N -0.751 108.009 108.800 -0.067 0.000 2.501 860 G HA2 -0.210 3.755 3.960 0.008 0.000 0.220 860 G HA3 -0.210 3.755 3.960 0.008 0.000 0.220 860 G C 1.038 175.922 174.900 -0.027 0.000 1.114 860 G CA 0.926 45.995 45.100 -0.051 0.000 0.757 860 G HN 0.422 nan 8.290 nan 0.000 0.559 861 S N -0.143 115.540 115.700 -0.027 0.000 2.489 861 S HA 0.291 4.766 4.470 0.008 0.000 0.228 861 S C 1.736 176.366 174.600 0.051 0.000 0.995 861 S CA 0.659 58.857 58.200 -0.004 0.000 0.934 861 S CB -0.018 63.177 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 3.738 3.960 0.008 0.000 0.272 862 G HA3 -0.227 3.738 3.960 0.008 0.000 0.272 862 G C -0.374 174.654 174.900 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 -0.542 119.304 119.800 0.077 0.000 2.330 863 Q HA 0.634 4.979 4.340 0.008 0.000 0.269 863 Q C 0.508 176.512 176.000 0.007 0.000 1.022 863 Q CA -0.825 55.027 55.803 0.083 0.000 0.796 863 Q CB 1.427 30.198 28.738 0.056 0.000 1.271 863 Q HN 0.650 nan 8.270 nan 0.000 0.450 864 M N 0.438 120.079 119.600 0.067 0.000 2.268 864 M HA 0.801 5.286 4.480 0.008 0.000 0.344 864 M C -0.872 175.508 176.300 0.133 0.000 1.106 864 M CA -0.774 54.547 55.300 0.035 0.000 1.010 864 M CB 1.703 34.288 32.600 -0.024 0.000 1.649 864 M HN 0.446 nan 8.290 nan 0.000 0.443 865 A N 5.681 128.548 122.820 0.078 0.000 2.258 865 A HA 0.737 5.062 4.320 0.008 0.000 0.316 865 A C -0.500 177.100 177.584 0.027 0.000 1.279 865 A CA -0.815 51.267 52.037 0.074 0.000 0.876 865 A CB 0.305 19.332 19.000 0.044 0.000 1.170 865 A HN 0.941 nan 8.150 nan 0.000 0.520 866 I N 1.965 122.540 120.570 0.008 0.000 2.353 866 I HA 0.384 4.559 4.170 0.008 0.000 0.293 866 I C 0.023 176.015 176.117 -0.208 0.000 0.992 866 I CA -0.155 61.040 61.300 -0.175 0.000 1.268 866 I CB 1.761 39.678 38.000 -0.138 0.000 1.387 866 I HN 0.452 nan 8.210 nan 0.000 0.478 867 T N 5.627 120.011 114.554 -0.283 0.000 2.841 867 T HA 0.547 4.902 4.350 0.008 0.000 0.285 867 T C -0.466 174.021 174.700 -0.355 0.000 0.991 867 T CA -0.360 61.578 62.100 -0.271 0.000 0.966 867 T CB 1.893 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 3.495 123.072 119.914 -0.561 0.000 2.735 868 V HA 0.616 4.741 4.120 0.008 0.000 0.310 868 V C -0.748 175.138 176.094 -0.347 0.000 1.061 868 V CA -0.873 61.121 62.300 -0.511 0.000 0.913 868 V CB 2.273 33.546 31.823 -0.917 0.000 1.005 868 V HN 0.832 nan 8.190 nan 0.000 0.428 869 D N 2.298 122.670 120.400 -0.047 0.000 2.479 869 D HA 0.387 5.032 4.640 0.008 0.000 0.246 869 D C -1.051 175.370 176.300 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 0.344 4.469 4.120 0.008 0.000 0.298 870 V C 0.325 176.567 176.094 0.246 0.000 1.048 870 V CA -0.493 61.977 62.300 0.284 0.000 0.964 870 V CB 2.121 34.130 31.823 0.310 0.000 1.004 870 V HN 0.409 nan 8.190 nan 0.000 0.466 871 E N 2.087 122.426 120.200 0.232 0.000 2.199 871 E HA 0.608 4.963 4.350 0.008 0.000 0.265 871 E C -1.647 175.085 176.600 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 31.822 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 4.661 4.120 0.008 0.000 0.291 872 V C 0.196 176.404 176.094 0.190 0.000 1.024 872 V CA -1.017 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 4.668 4.320 0.008 0.000 0.249 873 A C 1.702 179.370 177.584 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 19.378 19.000 0.040 0.000 1.017 873 A HN 1.344 nan 8.150 nan 0.000 0.496 874 S N 1.647 117.419 115.700 0.120 0.000 2.387 874 S HA -0.211 4.264 4.470 0.008 0.000 0.230 874 S C 1.018 175.699 174.600 0.135 0.000 1.035 874 S CA 1.845 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 0.360 120.817 120.400 0.094 0.000 2.370 875 D HA 0.185 4.830 4.640 0.008 0.000 0.230 875 D C 0.288 176.627 176.300 0.065 0.000 1.143 875 D CA -0.044 53.996 54.000 0.066 0.000 0.834 875 D CB -0.283 40.543 40.800 0.042 0.000 0.944 875 D HN 0.302 nan 8.370 nan 0.000 0.504 876 T N 0.506 115.127 114.554 0.111 0.000 2.885 876 T HA 0.473 4.828 4.350 0.008 0.000 0.285 876 T C -2.758 172.045 174.700 0.172 0.000 1.019 876 T CA -2.109 60.080 62.100 0.148 0.000 1.010 876 T CB 1.433 70.424 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 -0.463 177.123 177.300 0.476 0.000 1.187 877 P CA -0.059 63.135 63.100 0.156 0.000 0.766 877 P CB 0.145 31.941 31.700 0.161 0.000 0.820 878 H N 2.913 122.356 119.070 0.622 0.000 2.848 878 H HA 0.114 4.675 4.556 0.008 0.000 0.341 878 H C -1.922 173.750 175.328 0.574 0.000 1.060 878 H CA -1.876 54.468 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 0.044 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 -0.194 62.917 63.100 0.018 0.000 0.784 879 P CB 0.672 32.234 31.700 -0.229 0.000 0.923 880 A N 3.205 125.696 122.820 -0.548 0.000 1.968 880 A HA -0.056 4.269 4.320 0.008 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 -2.956 117.206 120.500 -0.564 0.000 2.741 881 R HA 0.722 5.067 4.340 0.008 0.000 0.274 881 R C -1.946 174.102 176.300 -0.420 0.000 1.029 881 R CA -0.777 55.008 56.100 -0.526 0.000 0.880 881 R CB 0.560 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 0.999 121.354 120.570 -0.358 0.000 2.586 882 I HA 0.605 4.780 4.170 0.008 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 1.865 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 5.679 114.218 108.800 -0.436 0.000 2.500 883 G HA2 0.692 4.657 3.960 0.008 0.000 0.299 883 G HA3 0.692 4.657 3.960 0.008 0.000 0.299 883 G C -1.904 172.833 174.900 -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 0.766 121.877 121.223 -0.185 0.000 2.309 884 L HA 0.713 5.058 4.340 0.008 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 -0.165 0.000 0.823 884 L CB 2.485 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 5.483 4.740 0.008 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 2.259 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 -1.907 117.440 119.300 0.079 0.000 3.292 886 C HA 0.572 5.037 4.460 0.008 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 0.003 0.000 1.232 886 C CB 0.886 28.633 27.740 0.012 0.000 1.517 886 C HN 0.899 nan 8.230 nan 0.000 0.470 887 Q N 1.441 120.935 119.800 -0.509 0.000 2.347 887 Q HA 0.683 5.028 4.340 0.008 0.000 0.262 887 Q C -1.008 174.719 176.000 -0.456 0.000 0.980 887 Q CA -0.478 54.786 55.803 -0.899 0.000 0.867 887 Q CB 0.881 28.725 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 4.667 4.340 0.008 0.000 0.265 888 L C 1.125 177.908 176.870 -0.145 0.000 1.168 888 L CA -0.207 54.557 54.840 -0.128 0.000 0.815 888 L CB 0.812 42.898 42.059 0.045 0.000 1.109 888 L HN 0.843 nan 8.230 nan 0.000 0.462 889 A N 1.402 124.166 122.820 -0.093 0.000 1.898 889 A HA -0.031 4.294 4.320 0.008 0.000 0.214 889 A C 1.025 178.582 177.584 -0.045 0.000 1.183 889 A CA 0.545 52.526 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 -1.039 118.765 119.800 0.006 0.000 2.535 890 Q HA 0.493 4.838 4.340 0.008 0.000 0.228 890 Q C -0.745 175.270 176.000 0.025 0.000 1.062 890 Q CA 0.322 56.122 55.803 -0.005 0.000 0.967 890 Q CB 0.650 29.371 28.738 -0.029 0.000 1.273 890 Q HN 0.117 nan 8.270 nan 0.000 0.554 891 V N 0.550 120.445 119.914 -0.032 0.000 2.559 891 V HA 0.680 4.805 4.120 0.008 0.000 0.289 891 V C -0.990 175.056 176.094 -0.079 0.000 1.036 891 V CA -0.662 61.656 62.300 0.031 0.000 0.887 891 V CB 1.504 33.346 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 5.077 4.320 0.008 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 -0.346 119.879 120.200 0.043 0.000 2.230 893 E HA 0.005 4.360 4.350 0.008 0.000 0.192 893 E C 0.273 176.959 176.600 0.143 0.000 0.987 893 E CA 0.519 56.971 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 0.546 nan 8.360 nan 0.000 0.481 894 R N -0.291 120.310 120.500 0.169 0.000 2.912 894 R HA 0.541 4.886 4.340 0.008 0.000 0.262 894 R C -1.148 175.349 176.300 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 1.527 121.635 119.914 0.324 0.000 2.638 895 V HA 0.373 4.498 4.120 0.008 0.000 0.306 895 V C -0.644 175.710 176.094 0.435 0.000 1.052 895 V CA -0.960 61.568 62.300 0.380 0.000 0.885 895 V CB 2.026 34.026 31.823 0.295 0.000 0.999 895 V HN 0.706 nan 8.190 nan 0.000 0.424 896 N N 3.793 122.738 118.700 0.409 0.000 2.295 896 N HA 0.560 5.305 4.740 0.008 0.000 0.293 896 N C -1.458 174.318 175.510 0.443 0.000 1.040 896 N CA -0.469 52.795 53.050 0.357 0.000 0.840 896 N CB 2.875 41.461 38.487 0.166 0.000 1.468 896 N HN 0.833 nan 8.380 nan 0.000 0.478 897 W N 3.050 124.400 121.300 0.084 0.000 3.137 897 W HA 0.593 5.258 4.660 0.008 0.000 0.324 897 W C -2.076 174.429 176.519 -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 4.202 125.419 121.223 -0.010 0.000 2.301 898 L HA 0.912 5.257 4.340 0.008 0.000 0.278 898 L C -0.027 176.718 176.870 -0.207 0.000 1.022 898 L CA 0.458 55.099 54.840 -0.332 0.000 0.854 898 L CB 0.621 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 3.771 112.374 108.800 -0.328 0.000 2.435 899 G HA2 0.228 4.193 3.960 0.008 0.000 0.228 899 G HA3 0.228 4.193 3.960 0.008 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 0.414 nan 8.290 nan 0.000 0.487 900 L N 1.173 122.613 121.223 0.362 0.000 2.349 900 L HA 0.672 5.017 4.340 0.008 0.000 0.275 900 L C 0.972 177.908 176.870 0.110 0.000 1.115 900 L CA 0.441 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 4.202 3.960 0.008 0.000 0.296 901 G HA3 0.237 4.202 3.960 0.008 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 -0.343 0.000 1.153 902 P CA 0.872 63.313 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 0.586 120.184 119.800 -0.336 0.000 2.382 903 Q HA 0.186 4.531 4.340 0.008 0.000 0.229 903 Q C 0.377 176.249 176.000 -0.213 0.000 1.006 903 Q CA -0.682 54.995 55.803 -0.210 0.000 0.916 903 Q CB -0.079 28.559 28.738 -0.168 0.000 1.235 903 Q HN 0.108 nan 8.270 nan 0.000 0.512 904 E N 1.049 121.134 120.200 -0.191 0.000 2.558 904 E HA -0.097 4.258 4.350 0.008 0.000 0.255 904 E C -1.116 175.389 176.600 -0.160 0.000 0.968 904 E CA 0.215 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 3.117 121.636 118.700 -0.303 0.000 2.336 905 N HA 0.291 5.036 4.740 0.008 0.000 0.290 905 N C -1.800 173.447 175.510 -0.438 0.000 1.058 905 N CA -0.679 52.240 53.050 -0.219 0.000 0.865 905 N CB 0.772 39.158 38.487 -0.169 0.000 1.581 905 N HN 0.210 nan 8.380 nan 0.000 0.480 906 Y N 0.638 120.835 120.300 -0.172 0.000 2.631 906 Y HA 0.526 5.081 4.550 0.008 0.000 0.328 906 Y C -1.523 174.279 175.900 -0.163 0.000 1.118 906 Y CA -2.155 55.831 58.100 -0.191 0.000 1.206 906 Y CB 1.326 39.678 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 0.219 177.329 177.300 -0.316 0.000 1.150 907 P CA 1.851 64.908 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 4.684 4.640 0.008 0.000 0.221 908 D C 0.609 176.757 176.300 -0.254 0.000 1.133 908 D CA -0.072 53.423 54.000 -0.842 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 4.522 4.340 0.008 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 -2.199 119.046 121.223 0.035 0.000 3.386 910 L HA 0.317 4.662 4.340 0.008 0.000 0.307 910 L C 1.417 178.336 176.870 0.081 0.000 1.235 910 L CA 0.082 54.943 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 -2.262 112.369 114.554 0.127 0.000 2.881 911 T HA -0.046 4.309 4.350 0.008 0.000 0.270 911 T C 1.704 176.504 174.700 0.165 0.000 1.068 911 T CA 1.368 63.574 62.100 0.176 0.000 1.131 911 T CB -0.310 68.699 68.868 0.236 0.000 0.871 911 T HN 0.410 nan 8.240 nan 0.000 0.479 912 A N 1.092 124.012 122.820 0.167 0.000 2.206 912 A HA 0.683 5.008 4.320 0.008 0.000 0.211 912 A C 1.450 179.131 177.584 0.161 0.000 1.158 912 A CA 0.376 52.472 52.037 0.098 0.000 0.761 912 A CB -0.731 18.414 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 0.064 0.000 2.302 913 A HA 0.528 4.853 4.320 0.008 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 0.508 119.800 119.300 -0.012 0.000 2.493 914 C HA 0.564 5.029 4.460 0.008 0.000 0.326 914 C C -0.173 174.934 174.990 0.195 0.000 1.200 914 C CA -0.489 58.577 59.018 0.080 0.000 1.739 914 C CB 0.656 28.447 27.740 0.086 0.000 2.300 914 C HN 0.775 nan 8.230 nan 0.000 0.500 915 F N 3.772 123.586 119.950 -0.227 0.000 2.445 915 F HA 0.519 5.051 4.527 0.008 0.000 0.359 915 F C 0.350 175.889 175.800 -0.434 0.000 1.101 915 F CA 1.161 58.922 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 4.770 4.640 0.008 0.000 0.342 916 D C -1.667 173.689 176.300 -1.575 0.000 1.403 916 D CA -0.755 52.505 54.000 -1.233 0.000 0.776 916 D CB 1.208 41.270 40.800 -1.231 0.000 1.365 916 D HN 0.552 nan 8.370 nan 0.000 0.468 917 R N 0.802 120.438 120.500 -1.440 0.000 2.207 917 R HA 0.537 4.882 4.340 0.008 0.000 0.334 917 R C -1.193 174.254 176.300 -1.422 0.000 1.013 917 R CA -0.333 55.069 56.100 -1.164 0.000 0.858 917 R CB 0.381 30.275 30.300 -0.677 0.000 1.094 917 R HN 0.263 nan 8.270 nan 0.000 0.457 918 W N 2.813 123.546 121.300 -0.945 0.000 2.689 918 W HA 0.387 5.052 4.660 0.008 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 -1.790 0.000 1.410 918 W HN 0.358 nan 8.180 nan 0.000 0.528 919 D N 2.974 123.319 120.400 -0.092 0.000 2.686 919 D HA 0.552 5.197 4.640 0.008 0.000 0.249 919 D C -1.372 175.020 176.300 0.153 0.000 1.260 919 D CA -0.149 53.889 54.000 0.063 0.000 0.910 919 D CB 1.145 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 2.742 124.127 121.223 0.270 0.000 2.409 920 L HA 0.528 4.873 4.340 0.008 0.000 0.255 920 L C -2.494 174.501 176.870 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 44.804 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 0.861 32.618 31.700 0.095 0.000 0.881 922 L N 3.875 125.186 121.223 0.146 0.000 2.051 922 L HA -0.265 4.080 4.340 0.008 0.000 0.214 922 L C 2.351 179.279 176.870 0.097 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 -1.378 114.382 115.700 0.099 0.000 2.402 923 S HA -0.221 4.254 4.470 0.008 0.000 0.233 923 S C 1.617 176.286 174.600 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 62.538 63.200 0.088 0.000 0.813 923 S HN 0.586 nan 8.310 nan 0.000 0.477 924 D N 1.047 121.497 120.400 0.083 0.000 2.347 924 D HA 0.115 4.760 4.640 0.008 0.000 0.215 924 D C 1.336 177.646 176.300 0.017 0.000 0.976 924 D CA 0.578 54.607 54.000 0.048 0.000 0.884 924 D CB -0.116 40.717 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 4.574 4.480 0.008 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 -0.756 31.801 32.600 -0.072 0.000 1.651 925 M HN -0.056 nan 8.290 nan 0.000 0.488 926 Y N 0.214 120.474 120.300 -0.067 0.000 2.391 926 Y HA 0.475 5.030 4.550 0.009 0.000 0.341 926 Y C -0.862 174.963 175.900 -0.124 0.000 0.965 926 Y CA -0.827 57.239 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 8.948 123.008 114.554 -0.823 0.000 2.770 927 T HA 0.270 4.625 4.350 0.008 0.000 0.297 927 T C -2.628 171.235 174.700 -1.394 0.000 0.997 927 T CA -1.505 59.999 62.100 -0.994 0.000 0.949 927 T CB 0.948 69.302 68.868 -0.857 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 -0.296 119.900 120.300 -0.173 0.000 2.729 929 Y HA -0.092 4.463 4.550 0.008 0.000 0.331 929 Y C 2.227 178.157 175.900 0.051 0.000 1.208 929 Y CA -0.607 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 4.099 124.213 119.914 0.334 0.000 2.370 930 V HA -0.336 3.789 4.120 0.008 0.000 0.252 930 V C 0.640 176.900 176.094 0.276 0.000 1.068 930 V CA 1.618 64.100 62.300 0.302 0.000 1.061 930 V CB -0.644 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 3.395 123.396 119.950 0.085 0.000 2.303 931 F HA 0.513 5.045 4.527 0.009 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 39.535 39.000 -0.136 0.000 1.362 931 F HN 0.001 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 0.173 115.788 115.700 -0.143 0.000 2.661 933 S HA 0.414 4.889 4.470 0.008 0.000 0.268 933 S C -0.885 173.717 174.600 0.003 0.000 1.162 933 S CA -0.995 57.164 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 0.365 4.720 4.350 0.008 0.000 0.259 934 E C -0.113 176.541 176.600 0.090 0.000 0.966 934 E CA 0.864 57.295 56.400 0.052 0.000 0.937 934 E CB -0.245 29.507 29.700 0.086 0.000 0.923 934 E HN 0.795 nan 8.360 nan 0.000 0.468 935 N N 1.558 120.338 118.700 0.134 0.000 3.116 935 N HA 0.508 5.253 4.740 0.008 0.000 0.244 935 N C 0.270 175.824 175.510 0.074 0.000 1.485 935 N CA -0.592 52.574 53.050 0.192 0.000 0.884 935 N CB 0.849 39.436 38.487 0.167 0.000 1.415 935 N HN 0.685 nan 8.380 nan 0.000 0.524 936 G N -1.309 107.496 108.800 0.009 0.000 2.179 936 G HA2 -0.272 3.693 3.960 0.008 0.000 0.260 936 G HA3 -0.272 3.693 3.960 0.008 0.000 0.260 936 G C -0.130 174.517 174.900 -0.422 0.000 0.977 936 G CA 0.362 45.350 45.100 -0.185 0.000 0.641 936 G HN 0.687 nan 8.290 nan 0.000 0.533 937 L N 1.225 122.131 121.223 -0.527 0.000 2.529 937 L HA 0.400 4.745 4.340 0.008 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 -0.928 0.000 0.857 937 L CB 0.353 41.548 42.059 -1.439 0.000 1.113 937 L HN 0.344 nan 8.230 nan 0.000 0.504 938 R N 3.816 123.666 120.500 -1.084 0.000 2.502 938 R HA 0.440 4.785 4.340 0.008 0.000 0.300 938 R C -1.036 174.883 176.300 -0.634 0.000 0.984 938 R CA -0.702 54.874 56.100 -0.873 0.000 0.882 938 R CB 0.747 30.496 30.300 -0.919 0.000 1.180 938 R HN 0.575 nan 8.270 nan 0.000 0.444 939 C N -0.090 118.977 119.300 -0.389 0.000 2.352 939 C HA 0.626 5.091 4.460 0.008 0.000 0.387 939 C C 1.570 176.509 174.990 -0.085 0.000 1.294 939 C CA 0.269 59.143 59.018 -0.240 0.000 2.137 939 C CB 0.731 28.358 27.740 -0.189 0.000 2.146 939 C HN 1.074 nan 8.230 nan 0.000 0.559 940 G N 1.602 110.369 108.800 -0.056 0.000 2.341 940 G HA2 -0.195 3.770 3.960 0.008 0.000 0.292 940 G HA3 -0.195 3.770 3.960 0.008 0.000 0.292 940 G C -0.020 174.916 174.900 0.061 0.000 1.021 940 G CA 0.603 45.723 45.100 0.033 0.000 0.905 940 G HN 0.826 nan 8.290 nan 0.000 0.508 941 T N -0.518 113.932 114.554 -0.173 0.000 2.869 941 T HA 0.449 4.803 4.350 0.008 0.000 0.295 941 T C 1.575 175.993 174.700 -0.469 0.000 0.987 941 T CA -0.221 61.726 62.100 -0.256 0.000 1.109 941 T CB 1.302 69.976 68.868 -0.324 0.000 0.932 941 T HN 0.375 nan 8.240 nan 0.000 0.518 942 R N 1.100 121.546 120.500 -0.090 0.000 2.279 942 R HA 0.233 4.578 4.340 0.008 0.000 0.195 942 R C 0.441 176.829 176.300 0.148 0.000 0.905 942 R CA 0.175 56.305 56.100 0.050 0.000 1.044 942 R CB 0.771 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 0.848 121.136 120.200 0.148 0.000 2.388 943 E HA 0.246 4.601 4.350 0.008 0.000 0.289 943 E C -2.083 174.679 176.600 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 31.400 29.700 0.177 0.000 1.239 943 E HN -0.067 nan 8.360 nan 0.000 0.412 944 L N 3.755 125.183 121.223 0.341 0.000 2.408 944 L HA 0.654 4.999 4.340 0.008 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 2.045 44.066 42.059 -0.063 0.000 1.303 944 L HN 0.537 nan 8.230 nan 0.000 0.411 945 N N 4.024 122.912 118.700 0.313 0.000 2.399 945 N HA 0.398 5.143 4.740 0.008 0.000 0.284 945 N C -2.075 173.684 175.510 0.415 0.000 1.025 945 N CA -0.241 53.002 53.050 0.322 0.000 0.885 945 N CB 2.128 40.737 38.487 0.203 0.000 1.339 945 N HN 0.608 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 4.967 4.550 0.008 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 0.837 39.490 38.460 0.321 0.000 1.211 946 Y HN 0.826 nan 8.280 nan 0.000 0.433 947 G N 6.410 115.131 108.800 -0.131 0.000 2.622 947 G HA2 -0.310 3.655 3.960 0.008 0.000 0.307 947 G HA3 -0.310 3.655 3.960 0.008 0.000 0.307 947 G C -1.726 173.108 174.900 -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 0.206 nan 4.420 nan 0.000 0.255 948 P C 0.115 177.135 177.300 -0.467 0.000 1.248 948 P CA 0.631 63.532 63.100 -0.333 0.000 0.807 948 P CB -0.015 31.412 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 0.549 5.109 4.556 0.008 0.000 0.338 949 H C 0.219 175.288 175.328 -0.432 0.000 1.155 949 H CA -0.397 55.449 56.048 -0.337 0.000 1.237 949 H CB 1.296 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 2.857 122.388 119.800 -0.449 0.000 2.271 950 Q HA 0.233 4.578 4.340 0.008 0.000 0.268 950 Q C -1.859 173.955 176.000 -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 5.280 4.660 0.008 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 2.080 31.299 29.460 -0.402 0.000 1.405 951 W HN 0.546 nan 8.180 nan 0.000 0.513 952 R N 0.817 121.541 120.500 0.374 0.000 2.686 952 R HA 0.760 5.105 4.340 0.008 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 0.949 110.031 108.800 0.469 0.000 2.491 953 G HA2 -0.051 3.914 3.960 0.008 0.000 0.183 953 G HA3 -0.051 3.914 3.960 0.008 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 0.580 121.163 120.400 0.305 0.000 2.420 954 D HA 0.631 5.276 4.640 0.008 0.000 0.255 954 D C -0.928 175.438 176.300 0.110 0.000 1.185 954 D CA -0.261 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 0.197 120.132 119.950 -0.025 0.000 2.779 955 F HA 0.541 5.073 4.527 0.008 0.000 0.316 955 F C -1.286 174.464 175.800 -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 39.671 39.000 -0.139 0.000 1.348 955 F HN -0.157 nan 8.300 nan 0.000 0.467 956 Q N 1.808 121.635 119.800 0.044 0.000 2.301 956 Q HA 0.682 5.027 4.340 0.008 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 -0.076 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 -1.133 118.704 119.950 -0.188 0.000 2.711 957 F HA 0.772 5.304 4.527 0.008 0.000 0.313 957 F C -1.593 173.998 175.800 -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 40.656 39.000 -0.139 0.000 1.349 957 F HN 0.598 nan 8.300 nan 0.000 0.464 958 N N 1.188 119.762 118.700 -0.209 0.000 2.484 958 N HA 0.666 5.411 4.740 0.008 0.000 0.269 958 N C -2.272 173.209 175.510 -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 1.171 nan 8.380 nan 0.000 0.485 959 I N 0.821 121.348 120.570 -0.072 0.000 2.627 959 I HA 0.661 4.836 4.170 0.008 0.000 0.288 959 I C -1.358 174.716 176.117 -0.071 0.000 1.202 959 I CA 0.067 61.311 61.300 -0.093 0.000 1.050 959 I CB 1.174 39.063 38.000 -0.184 0.000 1.264 959 I HN 1.035 nan 8.210 nan 0.000 0.429 960 S N 6.416 122.105 115.700 -0.017 0.000 2.929 960 S HA 0.593 5.068 4.470 0.008 0.000 0.311 960 S C -0.266 174.299 174.600 -0.059 0.000 1.213 960 S CA -0.961 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 0.618 nan 8.310 nan 0.000 0.594 961 R N 0.147 120.449 120.500 -0.330 0.000 2.609 961 R HA 0.330 4.675 4.340 0.008 0.000 0.326 961 R C -1.282 174.612 176.300 -0.677 0.000 1.090 961 R CA 0.116 55.941 56.100 -0.458 0.000 1.072 961 R CB -0.759 29.147 30.300 -0.656 0.000 1.330 961 R HN 0.629 nan 8.270 nan 0.000 0.572 962 Y N -0.078 120.256 120.300 0.056 0.000 2.373 962 Y HA 0.214 4.769 4.550 0.008 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 4.534 4.470 0.008 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 -1.027 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 4.132 4.340 0.008 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 0.449 120.114 119.800 -0.226 0.000 2.061 965 Q HA -0.214 4.131 4.340 0.008 0.000 0.204 965 Q C 2.143 178.066 176.000 -0.128 0.000 0.984 965 Q CA 1.403 57.121 55.803 -0.141 0.000 0.846 965 Q CB 0.012 28.685 28.738 -0.109 0.000 0.902 965 Q HN 0.399 nan 8.270 nan 0.000 0.421 966 Q N 0.060 119.776 119.800 -0.140 0.000 2.096 966 Q HA -0.184 4.161 4.340 0.008 0.000 0.204 966 Q C 2.199 178.118 176.000 -0.135 0.000 0.982 966 Q CA 1.172 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 -0.054 121.077 121.223 -0.153 0.000 2.017 967 L HA -0.216 4.129 4.340 0.008 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 -0.141 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 4.278 4.480 0.008 0.000 0.264 968 M C 1.552 177.773 176.300 -0.131 0.000 1.062 968 M CA 1.750 56.969 55.300 -0.135 0.000 1.099 968 M CB 0.046 32.580 32.600 -0.110 0.000 1.394 968 M HN 0.256 nan 8.290 nan 0.000 0.426 969 E N -1.558 118.567 120.200 -0.125 0.000 2.481 969 E HA 0.117 4.472 4.350 0.008 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 4.497 4.350 0.008 0.000 0.285 970 T C 1.057 175.645 174.700 -0.186 0.000 0.981 970 T CA -0.451 61.548 62.100 -0.169 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 2.274 117.966 115.700 -0.014 0.000 2.406 971 S HA -0.034 4.441 4.470 0.008 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 5.120 4.556 0.008 0.000 0.373 972 H C 0.936 176.198 175.328 -0.109 0.000 1.165 972 H CA -0.903 55.160 56.048 0.025 0.000 1.154 972 H CB 1.293 31.146 29.762 0.152 0.000 1.765 972 H HN 0.147 nan 8.280 nan 0.000 0.549 973 R N 0.979 121.578 120.500 0.165 0.000 2.148 973 R HA -0.126 4.219 4.340 0.008 0.000 0.227 973 R C 1.182 177.473 176.300 -0.014 0.000 1.103 973 R CA 1.584 57.706 56.100 0.036 0.000 0.983 973 R CB -0.419 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 4.579 4.556 0.008 0.000 0.282 974 H C 1.330 176.540 175.328 -0.196 0.000 1.020 974 H CA 0.778 56.785 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 0.948 121.738 121.223 -0.721 0.000 2.607 975 L HA 0.236 4.581 4.340 0.008 0.000 0.228 975 L C 0.592 177.006 176.870 -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 -0.308 120.579 121.223 -0.559 0.000 2.417 976 L HA 0.179 4.524 4.340 0.008 0.000 0.268 976 L C -0.387 176.203 176.870 -0.468 0.000 1.158 976 L CA -0.062 54.484 54.840 -0.489 0.000 0.819 976 L CB 0.471 42.224 42.059 -0.510 0.000 1.112 976 L HN 0.132 nan 8.230 nan 0.000 0.458 977 H N 0.526 119.663 119.070 0.112 0.000 2.600 977 H HA 0.515 5.076 4.556 0.008 0.000 0.357 977 H C -0.238 175.173 175.328 0.139 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 2.783 125.683 122.820 0.134 0.000 2.511 978 A HA 0.090 4.415 4.320 0.008 0.000 0.242 978 A C 0.236 177.784 177.584 -0.061 0.000 1.069 978 A CA -0.282 51.658 52.037 -0.162 0.000 0.763 978 A CB 0.087 18.993 19.000 -0.157 0.000 1.001 978 A HN 0.799 nan 8.150 nan 0.000 0.498 979 E N 1.045 121.193 120.200 -0.086 0.000 2.322 979 E HA 0.109 4.464 4.350 0.008 0.000 0.257 979 E C 0.582 177.164 176.600 -0.030 0.000 1.155 979 E CA -0.538 55.879 56.400 0.028 0.000 0.936 979 E CB 0.632 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 0.138 120.320 120.200 -0.031 0.000 2.065 980 E HA -0.235 4.120 4.350 0.008 0.000 0.201 980 E C 0.944 177.483 176.600 -0.101 0.000 1.016 980 E CA 1.739 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 4.231 3.960 0.008 0.000 0.185 981 G HA3 0.266 4.231 3.960 0.008 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 0.616 115.088 114.554 -0.137 0.000 2.812 982 T HA 0.379 4.734 4.350 0.008 0.000 0.282 982 T C -1.513 173.066 174.700 -0.201 0.000 0.990 982 T CA -0.098 61.951 62.100 -0.085 0.000 0.960 982 T CB 1.440 70.368 68.868 0.101 0.000 0.948 982 T HN 0.306 nan 8.240 nan 0.000 0.438 983 W N 3.463 124.690 121.300 -0.122 0.000 2.322 983 W HA 0.593 5.258 4.660 0.008 0.000 0.307 983 W C -0.280 176.134 176.519 -0.175 0.000 1.220 983 W CA -0.701 56.569 57.345 -0.125 0.000 1.210 983 W CB 0.754 30.150 29.460 -0.107 0.000 1.223 983 W HN 0.375 nan 8.180 nan 0.000 0.511 984 L N 5.762 127.041 121.223 0.094 0.000 2.356 984 L HA 0.517 4.862 4.340 0.008 0.000 0.277 984 L C -1.014 175.795 176.870 -0.102 0.000 0.996 984 L CA -0.408 54.359 54.840 -0.121 0.000 0.822 984 L CB 0.983 42.825 42.059 -0.361 0.000 1.256 984 L HN 0.325 nan 8.230 nan 0.000 0.413 985 N N 7.020 125.640 118.700 -0.134 0.000 2.399 985 N HA 0.506 5.251 4.740 0.008 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 2.439 40.861 38.487 -0.109 0.000 1.273 985 N HN 0.519 nan 8.380 nan 0.000 0.486 986 I N 1.717 122.133 120.570 -0.257 0.000 2.410 986 I HA 0.245 4.420 4.170 0.008 0.000 0.286 986 I C -0.770 175.194 176.117 -0.256 0.000 1.009 986 I CA -0.577 60.542 61.300 -0.302 0.000 1.111 986 I CB 1.784 39.439 38.000 -0.575 0.000 1.262 986 I HN 0.183 nan 8.210 nan 0.000 0.443 987 D N 4.494 124.787 120.400 -0.178 0.000 2.217 987 D HA 0.299 4.944 4.640 0.008 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 43.370 40.800 -0.128 0.000 1.162 987 D HN 0.711 nan 8.370 nan 0.000 0.472 988 G N 1.270 109.542 108.800 -0.879 0.000 2.408 988 G HA2 0.009 3.974 3.960 0.008 0.000 0.215 988 G HA3 0.009 3.974 3.960 0.008 0.000 0.215 988 G C 0.067 174.199 174.900 -1.281 0.000 1.156 988 G CA 0.551 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 -1.640 118.090 119.950 -0.368 0.000 2.619 989 F HA 0.542 5.074 4.527 0.008 0.000 0.308 989 F C -0.654 175.031 175.800 -0.192 0.000 1.097 989 F CA -1.414 56.450 58.000 -0.226 0.000 0.953 989 F CB 1.727 40.546 39.000 -0.302 0.000 1.287 989 F HN -0.089 nan 8.300 nan 0.000 0.446 990 H N 3.107 122.181 119.070 0.008 0.000 2.759 990 H HA 0.452 5.013 4.556 0.008 0.000 0.354 990 H C -0.970 174.367 175.328 0.016 0.000 1.074 990 H CA -0.740 55.285 56.048 -0.037 0.000 1.226 990 H CB 2.350 32.080 29.762 -0.055 0.000 1.648 990 H HN 0.900 nan 8.280 nan 0.000 0.529 991 M N 3.232 122.753 119.600 -0.132 0.000 2.240 991 M HA 0.372 4.857 4.480 0.008 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 2.308 111.180 108.800 0.121 0.000 2.699 992 G HA2 0.291 4.256 3.960 0.008 0.000 0.246 992 G HA3 0.291 4.256 3.960 0.008 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 -1.894 118.609 120.570 -0.112 0.000 3.645 993 I HA 0.423 4.598 4.170 0.008 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 -0.549 37.257 38.000 -0.323 0.000 1.077 993 I HN 0.959 nan 8.210 nan 0.000 0.439 994 G N 1.437 110.215 108.800 -0.037 0.000 2.698 994 G HA2 0.052 4.017 3.960 0.008 0.000 0.233 994 G HA3 0.052 4.017 3.960 0.008 0.000 0.233 994 G C 0.526 175.442 174.900 0.026 0.000 1.352 994 G CA 0.072 45.190 45.100 0.030 0.000 0.879 994 G HN 1.317 nan 8.290 nan 0.000 0.567 995 G N -2.459 106.369 108.800 0.048 0.000 2.902 995 G HA2 0.026 3.991 3.960 0.008 0.000 0.215 995 G HA3 0.026 3.991 3.960 0.008 0.000 0.215 995 G C 0.682 175.650 174.900 0.113 0.000 0.976 995 G CA 0.906 46.045 45.100 0.066 0.000 0.794 995 G HN 0.979 nan 8.290 nan 0.000 0.557 996 D N 1.331 121.811 120.400 0.134 0.000 2.203 996 D HA 0.074 4.719 4.640 0.008 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 -3.667 116.575 120.400 -0.262 0.000 2.671 997 D HA 0.288 4.933 4.640 0.008 0.000 0.273 997 D C -0.807 175.038 176.300 -0.758 0.000 1.264 997 D CA -0.728 52.718 54.000 -0.922 0.000 0.788 997 D CB 0.739 40.451 40.800 -1.814 0.000 1.324 997 D HN -0.283 nan 8.370 nan 0.000 0.424 998 S N -0.567 114.536 115.700 -0.995 0.000 2.664 998 S HA 0.241 4.716 4.470 0.008 0.000 0.245 998 S C -0.471 174.177 174.600 0.081 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 0.606 nan 8.310 nan 0.000 0.493 999 W N 1.262 122.489 121.300 -0.122 0.000 2.252 999 W HA 0.580 5.245 4.660 0.008 0.000 0.338 999 W C -0.109 176.360 176.519 -0.082 0.000 0.914 999 W CA -0.631 56.653 57.345 -0.101 0.000 1.754 999 W CB -0.501 28.836 29.460 -0.206 0.000 1.135 999 W HN 0.148 nan 8.180 nan 0.000 0.531 1000 S N -1.298 114.290 115.700 -0.185 0.000 2.567 1000 S HA 0.561 5.036 4.470 0.008 0.000 0.270 1000 S C -3.142 171.393 174.600 -0.110 0.000 1.152 1000 S CA -1.554 56.576 58.200 -0.117 0.000 0.835 1000 S CB 1.446 64.581 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 0.438 177.770 177.300 0.053 0.000 1.199 1001 P CA 0.025 63.133 63.100 0.013 0.000 0.763 1001 P CB 0.513 32.126 31.700 -0.144 0.000 0.790 1002 S N 0.872 116.640 115.700 0.114 0.000 2.701 1002 S HA 0.156 4.631 4.470 0.008 0.000 0.242 1002 S C 0.252 174.947 174.600 0.158 0.000 1.025 1002 S CA -0.343 57.909 58.200 0.088 0.000 1.016 1002 S CB -0.211 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 4.063 124.124 119.914 0.244 0.000 2.408 1003 V HA 0.369 4.494 4.120 0.008 0.000 0.267 1003 V C 0.482 176.745 176.094 0.282 0.000 1.047 1003 V CA -0.495 61.951 62.300 0.244 0.000 0.937 1003 V CB 0.654 32.576 31.823 0.165 0.000 0.999 1003 V HN 0.601 nan 8.190 nan 0.000 0.472 1004 S N 4.207 120.095 115.700 0.313 0.000 2.564 1004 S HA 0.362 4.837 4.470 0.008 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 1.331 64.618 63.200 0.146 0.000 0.900 1004 S HN 1.035 nan 8.310 nan 0.000 0.505 1005 A N 2.396 125.274 122.820 0.095 0.000 1.954 1005 A HA -0.286 4.039 4.320 0.008 0.000 0.222 1005 A C 1.921 179.477 177.584 -0.047 0.000 1.199 1005 A CA 2.273 54.349 52.037 0.065 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 4.219 4.350 0.008 0.000 0.197 1006 E C 1.066 177.348 176.600 -0.531 0.000 0.998 1006 E CA 1.301 57.412 56.400 -0.482 0.000 0.830 1006 E CB -0.395 28.792 29.700 -0.854 0.000 0.751 1006 E HN 0.812 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 4.732 4.527 0.008 0.000 0.302 1007 F C 0.469 176.298 175.800 0.048 0.000 1.098 1007 F CA -0.481 57.562 58.000 0.071 0.000 1.318 1007 F CB 0.275 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 1.484 121.382 119.800 0.164 0.000 2.256 1008 Q HA 0.395 4.740 4.340 0.008 0.000 0.257 1008 Q C -0.277 175.740 176.000 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 31.039 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 4.430 4.340 0.008 0.000 0.269 1009 L C 0.582 177.403 176.870 -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 -0.959 114.626 115.700 -0.192 0.000 2.663 1010 S HA 0.233 4.708 4.470 0.008 0.000 0.243 1010 S C 1.378 175.894 174.600 -0.139 0.000 1.009 1010 S CA 0.104 58.023 58.200 -0.468 0.000 0.988 1010 S CB 0.919 63.768 63.200 -0.585 0.000 0.896 1010 S HN 0.533 nan 8.310 nan 0.000 0.502 1011 A N 1.340 124.106 122.820 -0.090 0.000 2.021 1011 A HA 0.567 4.892 4.320 0.008 0.000 0.216 1011 A C 1.983 179.398 177.584 -0.283 0.000 1.163 1011 A CA 1.090 52.937 52.037 -0.317 0.000 0.676 1011 A CB -0.981 17.616 19.000 -0.671 0.000 0.818 1011 A HN 1.468 nan 8.150 nan 0.000 0.453 1012 G N -1.337 107.369 108.800 -0.157 0.000 3.079 1012 G HA2 -0.245 3.720 3.960 0.008 0.000 0.214 1012 G HA3 -0.245 3.720 3.960 0.008 0.000 0.214 1012 G C 0.371 175.227 174.900 -0.074 0.000 1.335 1012 G CA 0.282 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 0.371 120.703 120.500 -0.280 0.000 2.338 1013 R HA 0.743 5.088 4.340 0.008 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 0.798 31.032 30.300 -0.110 0.000 1.128 1013 R HN 0.394 nan 8.270 nan 0.000 0.448 1014 Y N 0.965 121.264 120.300 -0.003 0.000 2.442 1014 Y HA 0.359 4.914 4.550 0.008 0.000 0.344 1014 Y C -0.340 175.710 175.900 0.251 0.000 0.976 1014 Y CA -0.859 57.206 58.100 -0.058 0.000 1.040 1014 Y CB 2.041 40.284 38.460 -0.362 0.000 1.228 1014 Y HN 0.589 nan 8.280 nan 0.000 0.451 1015 H N 3.142 122.495 119.070 0.471 0.000 2.637 1015 H HA 0.649 5.210 4.556 0.008 0.000 0.363 1015 H C -1.672 174.035 175.328 0.632 0.000 1.131 1015 H CA -0.925 55.382 56.048 0.433 0.000 1.183 1015 H CB 1.371 31.283 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 5.015 4.550 0.008 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 1.254 39.695 38.460 -0.032 0.000 1.316 1016 Y HN 0.683 nan 8.280 nan 0.000 0.457 1017 Q N 3.395 123.216 119.800 0.034 0.000 2.379 1017 Q HA 0.766 5.111 4.340 0.008 0.000 0.278 1017 Q C -1.762 174.303 176.000 0.109 0.000 1.068 1017 Q CA -1.099 54.694 55.803 -0.018 0.000 0.816 1017 Q CB 3.525 32.293 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 5.094 4.340 0.008 0.000 0.258 1018 L C -1.026 175.937 176.870 0.155 0.000 1.024 1018 L CA -1.331 53.581 54.840 0.121 0.000 0.825 1018 L CB 2.583 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 0.324 4.449 4.120 0.008 0.000 0.292 1019 V C -1.153 175.105 176.094 0.273 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 5.410 4.660 0.009 0.000 0.320 1020 W C -0.105 176.394 176.519 -0.033 0.000 1.086 1020 W CA -0.998 56.313 57.345 -0.056 0.000 1.211 1020 W CB 1.475 30.952 29.460 0.029 0.000 1.298 1020 W HN 0.870 nan 8.180 nan 0.000 0.525 1021 C N 3.350 122.944 119.300 0.490 0.000 3.272 1021 C HA 0.750 5.215 4.460 0.008 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 0.474 120.303 119.800 0.047 0.000 2.416 1022 Q HA 0.848 5.193 4.340 0.008 0.000 0.279 1022 Q C -0.878 175.094 176.000 -0.046 0.000 1.101 1022 Q CA -0.323 55.445 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 4.325 4.320 0.008 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