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_C 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 4.617 4.350 0.024 0.000 0.250 4 T C 0.603 175.330 174.700 0.045 0.000 1.111 4 T CA 0.894 63.006 62.100 0.020 0.000 1.010 4 T CB -0.462 68.418 68.868 0.020 0.000 0.984 4 T HN 0.366 nan 8.240 nan 0.000 0.537 5 D N 1.625 122.106 120.400 0.134 0.000 2.407 5 D HA 0.116 4.770 4.640 0.024 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 0.380 41.408 40.800 0.381 0.000 0.967 5 D HN 0.563 nan 8.370 nan 0.000 0.506 6 S N 0.338 116.116 115.700 0.131 0.000 2.560 6 S HA 0.077 4.561 4.470 0.024 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 1.016 64.227 63.200 0.018 0.000 0.868 6 S HN 0.099 nan 8.310 nan 0.000 0.506 7 L N 2.442 123.676 121.223 0.019 0.000 1.997 7 L HA -0.234 4.120 4.340 0.024 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 -0.541 122.285 122.820 0.009 0.000 1.927 8 A HA -0.212 4.122 4.320 0.024 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 -0.020 0.000 2.273 9 V HA -0.173 3.962 4.120 0.024 0.000 0.242 9 V C 2.537 178.563 176.094 -0.113 0.000 1.035 9 V CA 1.619 63.884 62.300 -0.057 0.000 1.013 9 V CB -0.620 31.169 31.823 -0.056 0.000 0.652 9 V HN 0.368 nan 8.190 nan 0.000 0.452 10 V N 0.354 120.174 119.914 -0.157 0.000 2.220 10 V HA -0.351 3.783 4.120 0.024 0.000 0.250 10 V C 2.339 178.334 176.094 -0.165 0.000 1.053 10 V CA 2.567 64.670 62.300 -0.329 0.000 1.019 10 V CB -0.744 30.877 31.823 -0.337 0.000 0.646 10 V HN 0.468 nan 8.190 nan 0.000 0.455 11 L N 0.250 121.478 121.223 0.007 0.000 2.357 11 L HA -0.279 4.075 4.340 0.024 0.000 0.220 11 L C 2.609 179.579 176.870 0.167 0.000 1.123 11 L CA 1.956 56.940 54.840 0.240 0.000 0.782 11 L CB -0.873 41.342 42.059 0.261 0.000 0.910 11 L HN 0.597 nan 8.230 nan 0.000 0.442 12 Q N 0.612 120.425 119.800 0.022 0.000 2.084 12 Q HA -0.200 4.155 4.340 0.024 0.000 0.202 12 Q C 2.214 178.158 176.000 -0.094 0.000 0.978 12 Q CA 1.501 57.289 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 0.199 nan 8.270 nan 0.000 0.426 13 R N 0.512 120.934 120.500 -0.130 0.000 2.237 13 R HA 0.044 4.399 4.340 0.024 0.000 0.219 13 R C 0.130 176.249 176.300 -0.302 0.000 1.080 13 R CA 0.858 56.848 56.100 -0.183 0.000 0.995 13 R CB -0.230 29.962 30.300 -0.181 0.000 0.875 13 R HN 0.412 nan 8.270 nan 0.000 0.462 14 R N 1.153 121.374 120.500 -0.465 0.000 3.188 14 R HA -0.149 4.206 4.340 0.024 0.000 0.247 14 R C -0.056 175.738 176.300 -0.842 0.000 0.918 14 R CA 0.578 55.995 56.100 -1.140 0.000 0.629 14 R CB -1.287 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 -0.113 119.989 120.400 -0.497 0.000 2.218 15 D HA -0.187 4.467 4.640 0.024 0.000 0.204 15 D C 1.616 177.817 176.300 -0.166 0.000 0.976 15 D CA 1.798 55.565 54.000 -0.388 0.000 0.853 15 D CB -0.120 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 1.379 122.677 121.300 -0.004 0.000 3.204 16 W HA 0.206 4.880 4.660 0.024 0.000 0.249 16 W C 0.593 177.210 176.519 0.164 0.000 1.322 16 W CA -0.294 57.175 57.345 0.207 0.000 1.593 16 W CB -0.189 29.431 29.460 0.268 0.000 1.122 16 W HN -0.212 nan 8.180 nan 0.000 0.710 17 E N 1.278 121.302 120.200 -0.293 0.000 3.385 17 E HA 0.056 4.420 4.350 0.024 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 0.584 119.187 118.700 -0.162 0.000 2.812 18 N HA 0.092 4.846 4.740 0.024 0.000 0.262 18 N C -2.504 172.888 175.510 -0.196 0.000 1.241 18 N CA -1.487 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 0.080 nan 4.420 nan 0.000 0.231 19 P C 1.026 178.089 177.300 -0.395 0.000 1.158 19 P CA 0.684 63.484 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 4.085 3.960 0.024 0.000 0.209 20 G HA3 0.111 4.085 3.960 0.024 0.000 0.209 20 G C 0.140 174.963 174.900 -0.128 0.000 1.157 20 G CA 0.144 45.111 45.100 -0.220 0.000 0.779 20 G HN 0.212 nan 8.290 nan 0.000 0.539 21 V N 1.623 121.484 119.914 -0.088 0.000 2.357 21 V HA 0.280 4.414 4.120 0.024 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 33.127 31.823 -0.019 0.000 1.018 21 V HN 0.326 nan 8.190 nan 0.000 0.432 22 T N 0.904 115.499 114.554 0.068 0.000 2.990 22 T HA 0.313 4.677 4.350 0.024 0.000 0.250 22 T C 0.309 175.032 174.700 0.039 0.000 1.041 22 T CA 0.137 62.271 62.100 0.057 0.000 1.010 22 T CB 0.346 69.205 68.868 -0.014 0.000 1.003 22 T HN 0.670 nan 8.240 nan 0.000 0.499 23 Q N 0.116 119.978 119.800 0.105 0.000 2.633 23 Q HA 0.699 5.054 4.340 0.024 0.000 0.289 23 Q C -2.353 173.755 176.000 0.180 0.000 0.940 23 Q CA -1.177 54.681 55.803 0.091 0.000 0.785 23 Q CB 0.900 29.622 28.738 -0.026 0.000 1.467 23 Q HN 0.025 nan 8.270 nan 0.000 0.401 24 L N 2.549 123.903 121.223 0.218 0.000 2.482 24 L HA 0.551 4.905 4.340 0.024 0.000 0.269 24 L C -0.773 176.201 176.870 0.173 0.000 0.967 24 L CA -0.127 54.850 54.840 0.229 0.000 0.851 24 L CB 1.294 43.598 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 -0.219 4.536 4.740 0.024 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 -0.693 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 4.799 4.340 0.024 0.000 0.296 26 R C 0.680 176.848 176.300 -0.220 0.000 1.052 26 R CA -0.477 55.403 56.100 -0.365 0.000 0.988 26 R CB 0.634 30.698 30.300 -0.394 0.000 1.025 26 R HN 0.113 nan 8.270 nan 0.000 0.469 27 L N 2.841 123.913 121.223 -0.251 0.000 2.474 27 L HA 0.256 4.610 4.340 0.024 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 0.388 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 4.885 4.320 0.024 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 0.470 123.283 122.820 -0.011 0.000 2.287 29 A HA 0.722 5.056 4.320 0.024 0.000 0.273 29 A C 0.040 177.600 177.584 -0.039 0.000 1.091 29 A CA 0.432 52.406 52.037 -0.106 0.000 0.817 29 A CB -0.017 18.894 19.000 -0.149 0.000 1.069 29 A HN 1.873 nan 8.150 nan 0.000 0.492 30 H N -2.679 116.253 119.070 -0.231 0.000 2.904 30 H HA 0.562 5.133 4.556 0.024 0.000 0.290 30 H C -3.355 171.706 175.328 -0.445 0.000 1.437 30 H CA -1.702 54.155 56.048 -0.319 0.000 1.147 30 H CB 0.094 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 61.465 63.100 -0.399 0.000 0.791 31 P CB -0.319 31.113 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 1.021 64.092 63.100 -0.047 0.000 0.762 32 P CB -0.079 31.657 31.700 0.061 0.000 0.799 33 F N 1.248 121.323 119.950 0.207 0.000 2.538 33 F HA 0.600 5.142 4.527 0.024 0.000 0.325 33 F C 1.011 176.782 175.800 -0.047 0.000 1.066 33 F CA -1.010 57.071 58.000 0.136 0.000 0.946 33 F CB 2.204 41.268 39.000 0.106 0.000 1.199 33 F HN 0.225 nan 8.300 nan 0.000 0.473 34 A N 0.358 123.162 122.820 -0.026 0.000 2.425 34 A HA 0.256 4.590 4.320 0.024 0.000 0.201 34 A C 0.643 177.965 177.584 -0.438 0.000 1.431 34 A CA 0.472 52.240 52.037 -0.450 0.000 1.066 34 A CB -0.017 18.188 19.000 -1.326 0.000 1.318 34 A HN 0.756 nan 8.150 nan 0.000 0.534 35 S N 0.148 115.693 115.700 -0.258 0.000 3.711 35 S HA -0.133 4.351 4.470 0.024 0.000 0.374 35 S C -0.088 174.449 174.600 -0.104 0.000 0.969 35 S CA 0.371 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 1.809 123.100 121.300 -0.016 0.000 2.137 36 W HA 0.231 4.905 4.660 0.023 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 1.298 121.945 120.500 0.245 0.000 2.543 37 R HA 0.065 4.419 4.340 0.024 0.000 0.323 37 R C -0.369 176.002 176.300 0.119 0.000 1.002 37 R CA -0.212 55.973 56.100 0.141 0.000 1.106 37 R CB -0.028 30.327 30.300 0.092 0.000 1.280 37 R HN 0.457 nan 8.270 nan 0.000 0.549 38 N N -0.330 118.454 118.700 0.140 0.000 2.454 38 N HA -0.015 4.739 4.740 0.024 0.000 0.291 38 N C 0.679 176.175 175.510 -0.023 0.000 1.079 38 N CA -0.138 52.945 53.050 0.055 0.000 0.893 38 N CB 1.945 40.459 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 4.283 4.470 0.024 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 0.798 120.869 120.200 -0.214 0.000 2.106 40 E HA -0.102 4.262 4.350 0.024 0.000 0.192 40 E C 2.198 178.601 176.600 -0.328 0.000 0.984 40 E CA 1.106 57.339 56.400 -0.279 0.000 0.806 40 E CB -0.290 29.294 29.700 -0.194 0.000 0.750 40 E HN 0.756 nan 8.360 nan 0.000 0.458 41 E N 0.598 120.628 120.200 -0.283 0.000 2.077 41 E HA -0.155 4.210 4.350 0.024 0.000 0.193 41 E C 2.055 178.150 176.600 -0.841 0.000 0.989 41 E CA 0.887 57.101 56.400 -0.310 0.000 0.800 41 E CB -0.065 29.618 29.700 -0.028 0.000 0.746 41 E HN 0.161 nan 8.360 nan 0.000 0.452 42 A N 1.555 123.677 122.820 -1.163 0.000 1.877 42 A HA -0.219 4.116 4.320 0.024 0.000 0.216 42 A C 2.108 179.118 177.584 -0.956 0.000 1.186 42 A CA 1.581 52.576 52.037 -1.736 0.000 0.620 42 A CB -0.476 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 -0.329 119.787 120.500 -0.639 0.000 2.096 43 R HA -0.121 4.233 4.340 0.024 0.000 0.235 43 R C 1.779 177.838 176.300 -0.403 0.000 1.127 43 R CA 1.949 57.729 56.100 -0.534 0.000 0.968 43 R CB -0.345 29.538 30.300 -0.695 0.000 0.861 43 R HN 0.635 nan 8.270 nan 0.000 0.440 44 T N -2.717 111.618 114.554 -0.364 0.000 3.122 44 T HA 0.077 4.441 4.350 0.024 0.000 0.250 44 T C 0.164 174.786 174.700 -0.131 0.000 1.067 44 T CA 0.290 62.262 62.100 -0.214 0.000 0.966 44 T CB 0.219 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 0.939 121.220 120.400 -0.197 0.000 2.870 45 D HA -0.159 4.496 4.640 0.024 0.000 0.228 45 D C 0.202 176.603 176.300 0.169 0.000 1.147 45 D CA 0.428 54.441 54.000 0.022 0.000 0.757 45 D CB -1.165 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 4.844 4.340 0.024 0.000 0.275 46 R C -2.137 174.458 176.300 0.493 0.000 1.121 46 R CA -1.019 55.221 56.100 0.234 0.000 1.207 46 R CB 0.241 30.621 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 -1.110 176.301 177.300 0.184 0.000 1.267 47 P CA -0.262 62.984 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 2.244 117.903 115.700 -0.069 0.000 2.452 48 S HA 0.060 4.544 4.470 0.024 0.000 0.284 48 S C 1.229 175.813 174.600 -0.028 0.000 1.171 48 S CA -0.456 57.622 58.200 -0.203 0.000 1.064 48 S CB 0.100 62.876 63.200 -0.706 0.000 0.967 48 S HN 0.248 nan 8.310 nan 0.000 0.484 49 Q N 3.385 123.222 119.800 0.061 0.000 2.364 49 Q HA -0.134 4.220 4.340 0.024 0.000 0.209 49 Q C 0.868 176.996 176.000 0.214 0.000 0.977 49 Q CA 1.101 56.980 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 0.176 120.049 119.800 0.121 0.000 2.444 50 Q HA 0.143 4.497 4.340 0.024 0.000 0.206 50 Q C -0.379 175.687 176.000 0.110 0.000 0.948 50 Q CA 0.228 56.095 55.803 0.107 0.000 0.946 50 Q CB 0.400 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 0.450 121.748 121.223 0.124 0.000 2.406 51 L HA 0.442 4.796 4.340 0.024 0.000 0.270 51 L C -1.335 175.616 176.870 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 43.265 42.059 -0.039 0.000 1.225 51 L HN -0.135 nan 8.230 nan 0.000 0.412 52 R N 2.692 123.304 120.500 0.188 0.000 2.562 52 R HA 0.578 4.933 4.340 0.024 0.000 0.298 52 R C -0.644 175.682 176.300 0.043 0.000 0.961 52 R CA -0.707 55.457 56.100 0.107 0.000 0.881 52 R CB 2.099 32.447 30.300 0.081 0.000 1.159 52 R HN 0.644 nan 8.270 nan 0.000 0.450 53 S N 2.721 118.432 115.700 0.019 0.000 2.537 53 S HA 0.269 4.753 4.470 0.024 0.000 0.275 53 S C 0.671 175.268 174.600 -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 3.803 125.021 121.223 -0.009 0.000 2.791 54 L HA 0.302 4.657 4.340 0.024 0.000 0.239 54 L C -0.021 176.999 176.870 0.249 0.000 1.203 54 L CA -0.397 54.470 54.840 0.046 0.000 1.002 54 L CB -0.566 41.478 42.059 -0.024 0.000 1.295 54 L HN 0.494 nan 8.230 nan 0.000 0.504 55 N N 1.364 120.144 118.700 0.134 0.000 2.530 55 N HA 0.560 5.315 4.740 0.024 0.000 0.273 55 N C 0.642 176.274 175.510 0.204 0.000 1.173 55 N CA 0.663 53.800 53.050 0.146 0.000 0.967 55 N CB 1.726 40.233 38.487 0.033 0.000 1.109 55 N HN 0.306 nan 8.380 nan 0.000 0.453 56 G N 0.670 109.629 108.800 0.265 0.000 2.470 56 G HA2 -0.056 3.919 3.960 0.024 0.000 0.145 56 G HA3 -0.056 3.919 3.960 0.024 0.000 0.145 56 G C -1.422 173.705 174.900 0.378 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 4.841 4.350 0.024 0.000 0.284 57 E C -1.155 175.696 176.600 0.419 0.000 1.035 57 E CA -0.237 56.352 56.400 0.315 0.000 0.836 57 E CB 0.934 30.738 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 5.091 4.660 0.024 0.000 0.345 58 W C -0.088 176.564 176.519 0.222 0.000 1.151 58 W CA -0.696 56.776 57.345 0.211 0.000 1.111 58 W CB 1.039 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 1.579 122.359 120.500 0.467 0.000 2.407 59 R HA 0.627 4.981 4.340 0.024 0.000 0.303 59 R C -1.470 175.082 176.300 0.419 0.000 0.981 59 R CA -0.838 55.477 56.100 0.358 0.000 0.905 59 R CB 1.737 32.183 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 0.084 0.000 2.576 60 F HA 0.673 5.214 4.527 0.024 0.000 0.313 60 F C -1.494 174.215 175.800 -0.152 0.000 1.078 60 F CA -0.628 57.287 58.000 -0.141 0.000 0.921 60 F CB 2.107 40.908 39.000 -0.332 0.000 1.232 60 F HN 0.615 nan 8.300 nan 0.000 0.459 61 A N 4.376 126.475 122.820 -1.200 0.000 2.459 61 A HA 0.511 4.845 4.320 0.024 0.000 0.296 61 A C -2.380 174.463 177.584 -1.235 0.000 1.039 61 A CA -0.484 51.019 52.037 -0.889 0.000 0.698 61 A CB 0.504 19.303 19.000 -0.335 0.000 1.261 61 A HN 0.950 nan 8.150 nan 0.000 0.405 62 W N 2.942 123.528 121.300 -1.191 0.000 2.438 62 W HA 0.760 5.434 4.660 0.024 0.000 0.324 62 W C -1.791 174.207 176.519 -0.869 0.000 1.119 62 W CA -0.251 56.539 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 5.825 125.152 119.950 -1.039 0.000 2.588 63 F HA 0.337 4.878 4.527 0.024 0.000 0.310 63 F C -1.486 173.460 175.800 -1.424 0.000 1.082 63 F CA -2.639 54.850 58.000 -0.851 0.000 0.929 63 F CB 1.502 40.167 39.000 -0.558 0.000 1.254 63 F HN 0.185 nan 8.300 nan 0.000 0.455 64 P HA 0.144 nan 4.420 nan 0.000 0.233 64 P C -0.369 176.823 177.300 -0.180 0.000 1.167 64 P CA 0.770 63.621 63.100 -0.415 0.000 0.770 64 P CB 0.570 32.306 31.700 0.060 0.000 0.837 65 A N -0.569 122.151 122.820 -0.167 0.000 2.582 65 A HA 0.502 4.837 4.320 0.024 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 0.982 178.176 177.300 -0.177 0.000 1.153 66 P CA 1.954 64.908 63.100 -0.243 0.000 0.858 66 P CB 0.042 31.558 31.700 -0.307 0.000 0.789 67 E N 0.187 120.349 120.200 -0.063 0.000 2.265 67 E HA -0.105 4.259 4.350 0.024 0.000 0.196 67 E C 1.728 178.288 176.600 -0.066 0.000 0.996 67 E CA 1.274 57.660 56.400 -0.024 0.000 0.832 67 E CB -0.879 28.849 29.700 0.047 0.000 0.756 67 E HN 0.254 nan 8.360 nan 0.000 0.491 68 A N 1.587 124.354 122.820 -0.088 0.000 2.259 68 A HA 0.185 4.519 4.320 0.024 0.000 0.208 68 A C 0.964 178.412 177.584 -0.226 0.000 1.201 68 A CA -0.141 51.869 52.037 -0.044 0.000 0.824 68 A CB -0.009 19.049 19.000 0.096 0.000 0.838 68 A HN 0.028 nan 8.150 nan 0.000 0.485 69 V N 1.911 121.548 119.914 -0.462 0.000 2.607 69 V HA 0.293 4.427 4.120 0.024 0.000 0.289 69 V C -2.313 173.581 176.094 -0.334 0.000 1.053 69 V CA -1.438 60.411 62.300 -0.752 0.000 0.996 69 V CB 1.226 32.490 31.823 -0.931 0.000 0.995 69 V HN 0.301 nan 8.190 nan 0.000 0.476 70 P HA 0.404 nan 4.420 nan 0.000 0.300 70 P C 0.235 177.511 177.300 -0.041 0.000 1.326 70 P CA -0.584 62.465 63.100 -0.085 0.000 0.844 70 P CB 1.654 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 -0.242 4.123 4.350 0.024 0.000 0.199 71 E C 1.839 178.411 176.600 -0.047 0.000 1.004 71 E CA 1.902 58.268 56.400 -0.057 0.000 0.819 71 E CB -0.149 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 -0.489 115.208 115.700 -0.005 0.000 2.387 72 S HA -0.236 4.248 4.470 0.024 0.000 0.230 72 S C 1.735 176.344 174.600 0.014 0.000 1.035 72 S CA 1.324 59.528 58.200 0.006 0.000 1.014 72 S CB -0.558 62.664 63.200 0.037 0.000 0.836 72 S HN 0.634 nan 8.310 nan 0.000 0.466 73 W N 1.974 123.182 121.300 -0.153 0.000 2.331 73 W HA -0.078 4.597 4.660 0.024 0.000 0.291 73 W C 1.693 178.097 176.519 -0.192 0.000 1.214 73 W CA 1.477 58.724 57.345 -0.163 0.000 1.228 73 W CB -0.578 28.749 29.460 -0.221 0.000 1.135 73 W HN 0.363 nan 8.180 nan 0.000 0.537 74 L N 0.090 121.065 121.223 -0.414 0.000 2.131 74 L HA -0.170 4.185 4.340 0.024 0.000 0.210 74 L C 2.278 178.896 176.870 -0.420 0.000 1.092 74 L CA 1.700 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 -1.840 118.210 120.200 -0.251 0.000 2.251 75 E HA 0.071 4.436 4.350 0.024 0.000 0.194 75 E C -0.189 176.336 176.600 -0.125 0.000 0.964 75 E CA 0.162 56.469 56.400 -0.154 0.000 0.868 75 E CB 0.626 30.271 29.700 -0.092 0.000 0.828 75 E HN 0.286 nan 8.360 nan 0.000 0.481 76 C N 0.309 119.544 119.300 -0.109 0.000 3.086 76 C HA 0.361 4.835 4.460 0.024 0.000 0.311 76 C C -0.858 174.131 174.990 -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 0.231 nan 8.230 nan 0.000 0.474 77 D N 1.146 121.563 120.400 0.028 0.000 2.300 77 D HA 0.279 4.934 4.640 0.024 0.000 0.235 77 D C -0.429 175.952 176.300 0.134 0.000 1.338 77 D CA 0.511 54.575 54.000 0.107 0.000 0.903 77 D CB 0.340 41.198 40.800 0.096 0.000 1.180 77 D HN 0.447 nan 8.370 nan 0.000 0.485 78 L N 0.953 122.269 121.223 0.156 0.000 2.385 78 L HA 0.197 4.551 4.340 0.024 0.000 0.273 78 L C -1.513 175.408 176.870 0.084 0.000 0.990 78 L CA -1.830 53.084 54.840 0.124 0.000 0.821 78 L CB 2.278 44.422 42.059 0.142 0.000 1.279 78 L HN 0.088 nan 8.230 nan 0.000 0.412 79 P HA -0.244 nan 4.420 nan 0.000 0.219 79 P C 0.566 177.890 177.300 0.040 0.000 1.158 79 P CA 1.622 64.749 63.100 0.044 0.000 0.895 79 P CB 0.274 31.995 31.700 0.035 0.000 0.792 80 E N -1.149 119.071 120.200 0.033 0.000 2.479 80 E HA 0.315 4.679 4.350 0.024 0.000 0.193 80 E C 0.722 177.336 176.600 0.025 0.000 1.049 80 E CA -0.093 56.319 56.400 0.019 0.000 0.870 80 E CB -0.571 29.124 29.700 -0.008 0.000 0.944 80 E HN 0.181 nan 8.360 nan 0.000 0.492 81 A N 1.296 124.144 122.820 0.046 0.000 2.477 81 A HA 0.240 4.575 4.320 0.024 0.000 0.246 81 A C -0.391 177.253 177.584 0.099 0.000 1.078 81 A CA -0.402 51.671 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 0.110 120.598 120.400 0.147 0.000 2.437 82 D HA 0.528 5.182 4.640 0.024 0.000 0.259 82 D C -0.367 176.050 176.300 0.195 0.000 1.118 82 D CA 0.048 54.152 54.000 0.173 0.000 1.017 82 D CB 0.810 41.751 40.800 0.235 0.000 1.120 82 D HN 0.356 nan 8.370 nan 0.000 0.541 83 T N 0.825 115.475 114.554 0.160 0.000 2.801 83 T HA 0.436 4.800 4.350 0.024 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 69.454 68.868 0.124 0.000 0.962 83 T HN 0.002 nan 8.240 nan 0.000 0.465 84 V N 3.988 124.033 119.914 0.219 0.000 2.850 84 V HA 0.587 4.721 4.120 0.024 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 4.508 124.543 119.914 0.202 0.000 2.481 85 V HA 0.597 4.732 4.120 0.024 0.000 0.286 85 V C -0.555 175.619 176.094 0.132 0.000 1.042 85 V CA 0.008 62.416 62.300 0.181 0.000 0.928 85 V CB 1.883 33.778 31.823 0.119 0.000 0.986 85 V HN 0.602 nan 8.190 nan 0.000 0.462 86 V N 8.492 128.419 119.914 0.021 0.000 2.588 86 V HA 0.529 4.664 4.120 0.024 0.000 0.304 86 V C -2.361 173.629 176.094 -0.173 0.000 1.042 86 V CA -1.602 60.573 62.300 -0.210 0.000 0.877 86 V CB 2.346 33.719 31.823 -0.749 0.000 0.996 86 V HN 0.852 nan 8.190 nan 0.000 0.425 87 P HA 0.545 nan 4.420 nan 0.000 0.281 87 P C -0.857 176.368 177.300 -0.124 0.000 1.249 87 P CA -0.211 62.767 63.100 -0.203 0.000 0.810 87 P CB 1.472 33.061 31.700 -0.185 0.000 1.008 88 S N 0.190 115.826 115.700 -0.107 0.000 2.615 88 S HA 0.419 4.903 4.470 0.024 0.000 0.268 88 S C -1.364 173.153 174.600 -0.138 0.000 1.146 88 S CA -1.019 57.100 58.200 -0.136 0.000 0.818 88 S CB 0.390 63.480 63.200 -0.183 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 5.159 4.740 0.024 0.000 0.262 89 N C 0.437 175.760 175.510 -0.311 0.000 0.974 89 N CA -0.794 52.093 53.050 -0.272 0.000 0.933 89 N CB 0.732 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 -0.100 4.575 4.660 0.025 0.000 0.270 90 W C 0.919 177.426 176.519 -0.019 0.000 1.233 90 W CA 0.868 58.049 57.345 -0.273 0.000 1.226 90 W CB -0.324 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 0.324 120.103 119.800 -0.035 0.000 2.291 91 Q HA -0.128 4.227 4.340 0.024 0.000 0.206 91 Q C 2.021 178.015 176.000 -0.010 0.000 0.976 91 Q CA 1.607 57.429 55.803 0.031 0.000 0.875 91 Q CB -0.634 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 -1.062 118.480 119.600 -0.096 0.000 2.557 92 M HA -0.043 4.451 4.480 0.024 0.000 0.259 92 M C 0.816 177.226 176.300 0.182 0.000 1.086 92 M CA 1.370 56.633 55.300 -0.061 0.000 1.096 92 M CB -0.534 31.985 32.600 -0.134 0.000 1.424 92 M HN 0.375 nan 8.290 nan 0.000 0.488 93 H N -1.905 117.239 119.070 0.124 0.000 2.654 93 H HA 0.327 4.898 4.556 0.024 0.000 0.264 93 H C 1.410 176.716 175.328 -0.036 0.000 0.954 93 H CA 0.308 56.433 56.048 0.128 0.000 1.199 93 H CB 0.749 30.714 29.762 0.337 0.000 1.446 93 H HN 0.494 nan 8.280 nan 0.000 0.516 94 G N 0.088 108.951 108.800 0.104 0.000 2.255 94 G HA2 -0.298 3.676 3.960 0.024 0.000 0.196 94 G HA3 -0.298 3.676 3.960 0.024 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 4.696 4.550 0.024 0.000 0.280 95 Y C 1.801 177.422 175.900 -0.466 0.000 1.163 95 Y CA 1.923 59.827 58.100 -0.326 0.000 1.135 95 Y CB -0.220 38.027 38.460 -0.356 0.000 0.970 95 Y HN 0.619 nan 8.280 nan 0.000 0.498 96 D N -2.256 118.236 120.400 0.153 0.000 2.744 96 D HA 0.580 5.234 4.640 0.024 0.000 0.304 96 D C -1.066 175.344 176.300 0.184 0.000 1.179 96 D CA -0.796 53.305 54.000 0.169 0.000 1.024 96 D CB 0.833 41.908 40.800 0.458 0.000 1.453 96 D HN 0.074 nan 8.370 nan 0.000 0.529 97 A N -0.450 122.481 122.820 0.185 0.000 2.293 97 A HA 0.727 5.062 4.320 0.024 0.000 0.302 97 A C -2.440 175.197 177.584 0.088 0.000 1.119 97 A CA -1.271 50.854 52.037 0.146 0.000 0.823 97 A CB 0.231 19.375 19.000 0.240 0.000 1.097 97 A HN 0.531 nan 8.150 nan 0.000 0.491 98 P HA 0.540 nan 4.420 nan 0.000 0.288 98 P C -1.077 176.416 177.300 0.322 0.000 1.267 98 P CA -0.142 62.935 63.100 -0.038 0.000 0.815 98 P CB 0.906 32.311 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 4.423 4.170 0.024 0.000 0.291 99 I C -0.335 175.967 176.117 0.308 0.000 0.992 99 I CA -0.822 60.719 61.300 0.400 0.000 1.154 99 I CB 1.213 39.369 38.000 0.260 0.000 1.315 99 I HN 0.289 nan 8.210 nan 0.000 0.448 100 Y N 6.635 126.885 120.300 -0.085 0.000 2.700 100 Y HA 0.509 5.073 4.550 0.024 0.000 0.333 100 Y C -0.167 175.552 175.900 -0.302 0.000 1.036 100 Y CA -0.262 57.433 58.100 -0.676 0.000 1.287 100 Y CB 0.725 37.965 38.460 -2.032 0.000 1.132 100 Y HN 0.550 nan 8.280 nan 0.000 0.510 101 T N 4.460 118.456 114.554 -0.931 0.000 2.887 101 T HA 0.266 4.630 4.350 0.024 0.000 0.288 101 T C 0.369 174.595 174.700 -0.790 0.000 1.021 101 T CA -0.549 61.080 62.100 -0.786 0.000 1.000 101 T CB 1.358 70.006 68.868 -0.367 0.000 1.034 101 T HN 0.872 nan 8.240 nan 0.000 0.467 102 N N 2.075 120.383 118.700 -0.653 0.000 2.272 102 N HA 0.035 4.789 4.740 0.024 0.000 0.195 102 N C 1.502 176.752 175.510 -0.434 0.000 1.048 102 N CA 0.564 53.345 53.050 -0.448 0.000 0.912 102 N CB 0.166 38.395 38.487 -0.430 0.000 1.096 102 N HN 0.340 nan 8.380 nan 0.000 0.471 103 V N 0.577 120.160 119.914 -0.550 0.000 2.326 103 V HA 0.014 4.149 4.120 0.024 0.000 0.238 103 V C 0.562 176.348 176.094 -0.514 0.000 1.038 103 V CA 0.864 62.748 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 4.375 4.350 0.024 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 5.516 125.723 120.300 -0.155 0.000 2.597 105 Y HA 0.090 4.654 4.550 0.024 0.000 0.336 105 Y C -0.781 175.001 175.900 -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 0.358 177.490 177.300 -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 -3.784 116.491 120.570 -0.490 0.000 3.062 107 I HA 0.400 4.584 4.170 0.024 0.000 0.318 107 I C -0.464 175.501 176.117 -0.254 0.000 1.026 107 I CA -0.931 60.070 61.300 -0.499 0.000 1.096 107 I CB 1.012 38.527 38.000 -0.809 0.000 1.348 107 I HN -0.349 nan 8.210 nan 0.000 0.543 108 T N 2.560 117.007 114.554 -0.178 0.000 2.851 108 T HA 0.237 4.601 4.350 0.024 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 0.940 69.790 68.868 -0.029 0.000 0.916 108 T HN 0.390 nan 8.240 nan 0.000 0.529 109 V N 4.676 124.577 119.914 -0.022 0.000 2.377 109 V HA 0.173 4.308 4.120 0.024 0.000 0.254 109 V C 0.705 176.834 176.094 0.057 0.000 1.060 109 V CA -0.083 62.228 62.300 0.018 0.000 1.068 109 V CB -0.876 30.922 31.823 -0.042 0.000 1.113 109 V HN 0.823 nan 8.190 nan 0.000 0.484 110 N N 5.506 124.301 118.700 0.158 0.000 2.700 110 N HA 0.285 5.039 4.740 0.024 0.000 0.242 110 N C -3.025 172.551 175.510 0.111 0.000 1.541 110 N CA -1.368 51.774 53.050 0.153 0.000 0.764 110 N CB 1.630 40.261 38.487 0.241 0.000 1.319 110 N HN 0.246 nan 8.380 nan 0.000 0.518 111 P HA 0.217 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 -0.867 61.800 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 -0.543 176.600 177.300 -0.262 0.000 1.651 112 P CA -0.336 62.506 63.100 -0.430 0.000 1.119 112 P CB -0.059 31.420 31.700 -0.369 0.000 1.552 113 F N -0.427 119.640 119.950 0.194 0.000 2.382 113 F HA 0.326 4.868 4.527 0.025 0.000 0.331 113 F C 1.161 177.134 175.800 0.289 0.000 1.121 113 F CA -0.596 57.524 58.000 0.200 0.000 1.183 113 F CB 0.721 39.783 39.000 0.104 0.000 1.207 113 F HN -0.282 nan 8.300 nan 0.000 0.555 114 V N 1.751 121.946 119.914 0.468 0.000 3.046 114 V HA 0.463 4.597 4.120 0.024 0.000 0.316 114 V C -2.167 174.107 176.094 0.299 0.000 1.104 114 V CA -2.136 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 0.147 nan 4.420 nan 0.000 0.271 115 P C 0.722 178.180 177.300 0.263 0.000 1.218 115 P CA 0.102 63.315 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 -0.540 114.136 114.554 0.203 0.000 2.867 116 T HA -0.110 4.254 4.350 0.024 0.000 0.268 116 T C 0.278 175.096 174.700 0.197 0.000 1.057 116 T CA 0.853 63.076 62.100 0.205 0.000 1.136 116 T CB -0.623 68.332 68.868 0.145 0.000 0.874 116 T HN 0.358 nan 8.240 nan 0.000 0.466 117 E N 2.998 123.315 120.200 0.196 0.000 1.932 117 E HA 0.391 4.755 4.350 0.024 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 0.077 29.896 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 5.001 4.740 0.024 0.000 0.275 118 N C -2.856 172.632 175.510 -0.036 0.000 1.091 118 N CA -2.703 50.462 53.050 0.193 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 -0.015 31.831 31.700 0.243 0.000 0.775 120 T N 2.815 117.041 114.554 -0.547 0.000 2.824 120 T HA 0.598 4.963 4.350 0.024 0.000 0.280 120 T C 0.535 174.797 174.700 -0.730 0.000 0.995 120 T CA -0.490 61.348 62.100 -0.437 0.000 1.009 120 T CB 1.593 70.214 68.868 -0.412 0.000 0.955 120 T HN 0.311 nan 8.240 nan 0.000 0.452 121 G N 0.796 109.280 108.800 -0.527 0.000 2.557 121 G HA2 0.508 4.483 3.960 0.024 0.000 0.310 121 G HA3 0.508 4.483 3.960 0.024 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 2.720 121.599 119.300 -0.702 0.000 2.251 122 C HA 0.556 5.031 4.460 0.024 0.000 0.323 122 C C -0.588 174.381 174.990 -0.036 0.000 1.241 122 C CA -0.958 57.781 59.018 -0.465 0.000 1.601 122 C CB -1.343 25.610 27.740 -1.312 0.000 2.251 122 C HN 0.628 nan 8.230 nan 0.000 0.488 123 Y N 1.804 122.382 120.300 0.463 0.000 2.457 123 Y HA 0.663 5.227 4.550 0.024 0.000 0.333 123 Y C 0.783 177.153 175.900 0.783 0.000 1.119 123 Y CA -0.251 58.254 58.100 0.675 0.000 1.143 123 Y CB 1.536 40.395 38.460 0.665 0.000 1.230 123 Y HN 0.710 nan 8.280 nan 0.000 0.469 124 S N 2.014 118.219 115.700 0.842 0.000 2.550 124 S HA 0.805 5.290 4.470 0.024 0.000 0.270 124 S C -1.914 172.717 174.600 0.050 0.000 1.145 124 S CA -0.796 57.662 58.200 0.431 0.000 0.852 124 S CB 2.047 65.438 63.200 0.318 0.000 1.119 124 S HN 0.652 nan 8.310 nan 0.000 0.465 125 L N 1.048 122.147 121.223 -0.207 0.000 2.526 125 L HA 0.712 5.066 4.340 0.024 0.000 0.263 125 L C -1.163 175.656 176.870 -0.085 0.000 0.943 125 L CA 0.128 54.681 54.840 -0.478 0.000 0.859 125 L CB 2.348 43.556 42.059 -1.418 0.000 1.313 125 L HN 0.917 nan 8.230 nan 0.000 0.406 126 T N 5.478 120.003 114.554 -0.047 0.000 2.771 126 T HA 0.783 5.147 4.350 0.024 0.000 0.281 126 T C -0.860 173.896 174.700 0.094 0.000 0.982 126 T CA -0.042 62.066 62.100 0.014 0.000 0.978 126 T CB 0.463 69.304 68.868 -0.046 0.000 0.930 126 T HN 0.480 nan 8.240 nan 0.000 0.447 127 F N 0.424 120.293 119.950 -0.133 0.000 2.741 127 F HA 0.675 5.217 4.527 0.024 0.000 0.313 127 F C -1.303 174.436 175.800 -0.101 0.000 1.153 127 F CA -1.549 56.376 58.000 -0.125 0.000 0.931 127 F CB 1.169 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 0.524 119.180 118.700 -0.073 0.000 2.421 128 N HA 0.631 5.385 4.740 0.024 0.000 0.285 128 N C -1.531 173.914 175.510 -0.109 0.000 1.027 128 N CA -0.679 52.276 53.050 -0.159 0.000 0.918 128 N CB 2.216 40.632 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 4.364 4.120 0.024 0.000 0.295 129 V C -0.298 175.689 176.094 -0.179 0.000 1.029 129 V CA -0.853 61.359 62.300 -0.146 0.000 0.874 129 V CB 1.635 33.445 31.823 -0.022 0.000 0.985 129 V HN 0.650 nan 8.190 nan 0.000 0.438 130 D N 3.026 123.238 120.400 -0.313 0.000 2.383 130 D HA 0.060 4.714 4.640 0.024 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 1.175 41.754 40.800 -0.368 0.000 1.164 130 D HN 0.808 nan 8.370 nan 0.000 0.462 131 E N 1.950 122.127 120.200 -0.039 0.000 2.208 131 E HA -0.350 4.014 4.350 0.024 0.000 0.202 131 E C 1.378 178.016 176.600 0.063 0.000 1.014 131 E CA 1.710 58.118 56.400 0.014 0.000 0.819 131 E CB -0.361 29.341 29.700 0.004 0.000 0.735 131 E HN 0.456 nan 8.360 nan 0.000 0.469 132 S N 0.165 115.911 115.700 0.075 0.000 2.382 132 S HA -0.181 4.304 4.470 0.024 0.000 0.228 132 S C 1.550 176.251 174.600 0.168 0.000 1.027 132 S CA 0.907 59.183 58.200 0.126 0.000 0.991 132 S CB -0.796 62.484 63.200 0.133 0.000 0.823 132 S HN 0.467 nan 8.310 nan 0.000 0.469 133 W N 1.726 122.899 121.300 -0.212 0.000 2.392 133 W HA 0.170 4.845 4.660 0.024 0.000 0.279 133 W C 1.466 177.951 176.519 -0.057 0.000 1.225 133 W CA 0.098 57.226 57.345 -0.362 0.000 1.233 133 W CB -0.673 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 -1.122 120.226 121.223 0.207 0.000 2.529 134 L HA 0.098 4.452 4.340 0.024 0.000 0.223 134 L C 2.033 178.972 176.870 0.116 0.000 1.113 134 L CA 0.731 55.667 54.840 0.160 0.000 0.861 134 L CB -1.736 40.402 42.059 0.133 0.000 1.012 134 L HN -0.157 nan 8.230 nan 0.000 0.461 135 Q N 0.846 120.708 119.800 0.103 0.000 1.993 135 Q HA -0.057 4.297 4.340 0.024 0.000 0.202 135 Q C 0.674 176.725 176.000 0.085 0.000 0.984 135 Q CA 1.593 57.444 55.803 0.079 0.000 0.837 135 Q CB 0.227 29.005 28.738 0.067 0.000 0.902 135 Q HN 0.661 nan 8.270 nan 0.000 0.423 136 E N -2.544 117.724 120.200 0.113 0.000 2.446 136 E HA 0.578 4.943 4.350 0.024 0.000 0.267 136 E C 0.161 176.865 176.600 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 0.268 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 3.738 3.960 0.024 0.000 0.228 137 G HA3 -0.237 3.738 3.960 0.024 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 -0.658 118.961 119.800 -0.301 0.000 2.353 138 Q HA 0.680 5.034 4.340 0.024 0.000 0.268 138 Q C -1.051 174.865 176.000 -0.140 0.000 1.045 138 Q CA -0.507 55.218 55.803 -0.130 0.000 0.811 138 Q CB 1.901 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 4.727 119.334 114.554 0.089 0.000 2.772 139 T HA 0.500 4.865 4.350 0.024 0.000 0.288 139 T C -0.657 174.151 174.700 0.180 0.000 0.994 139 T CA -0.654 61.563 62.100 0.195 0.000 0.951 139 T CB 0.518 69.624 68.868 0.397 0.000 0.933 139 T HN 0.677 nan 8.240 nan 0.000 0.447 140 R N 2.724 123.307 120.500 0.139 0.000 2.888 140 R HA 0.808 5.162 4.340 0.024 0.000 0.266 140 R C -1.234 175.156 176.300 0.151 0.000 1.020 140 R CA -1.033 55.157 56.100 0.150 0.000 0.963 140 R CB 1.591 31.956 30.300 0.109 0.000 1.197 140 R HN 0.534 nan 8.270 nan 0.000 0.481 141 I N 2.017 122.692 120.570 0.175 0.000 2.562 141 I HA 0.511 4.696 4.170 0.024 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 1.469 39.545 38.000 0.127 0.000 1.304 141 I HN 0.602 nan 8.210 nan 0.000 0.446 142 I N 6.672 127.190 120.570 -0.086 0.000 2.533 142 I HA 0.325 4.509 4.170 0.024 0.000 0.290 142 I C -1.500 174.453 176.117 -0.274 0.000 1.056 142 I CA -0.486 60.787 61.300 -0.045 0.000 1.057 142 I CB 1.824 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 3.641 123.565 119.950 -0.042 0.000 2.427 143 F HA 0.337 4.878 4.527 0.024 0.000 0.348 143 F C 1.091 176.771 175.800 -0.199 0.000 1.125 143 F CA -0.832 57.073 58.000 -0.158 0.000 0.989 143 F CB 0.929 39.789 39.000 -0.233 0.000 1.165 143 F HN 0.389 nan 8.300 nan 0.000 0.442 144 D N 2.235 122.558 120.400 -0.127 0.000 2.371 144 D HA 0.147 4.801 4.640 0.024 0.000 0.221 144 D C 0.878 176.999 176.300 -0.298 0.000 0.986 144 D CA 0.803 54.674 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 0.701 nan 8.370 nan 0.000 0.530 145 G N -0.383 108.189 108.800 -0.380 0.000 1.984 145 G HA2 0.348 4.323 3.960 0.024 0.000 0.313 145 G HA3 0.348 4.323 3.960 0.024 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 4.747 4.120 0.024 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 0.724 nan 8.190 nan 0.000 0.424 147 N N 2.483 121.280 118.700 0.162 0.000 2.399 147 N HA 0.316 5.070 4.740 0.024 0.000 0.280 147 N C 0.569 176.038 175.510 -0.069 0.000 1.008 147 N CA 0.171 53.247 53.050 0.042 0.000 0.894 147 N CB 2.319 40.718 38.487 -0.146 0.000 1.273 147 N HN 0.597 nan 8.380 nan 0.000 0.486 148 S N 2.272 117.957 115.700 -0.026 0.000 2.497 148 S HA 0.540 5.025 4.470 0.024 0.000 0.218 148 S C 0.323 174.988 174.600 0.107 0.000 1.023 148 S CA 0.441 58.671 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 0.729 nan 8.310 nan 0.000 0.505 149 A N 0.463 123.361 122.820 0.131 0.000 2.610 149 A HA 0.761 5.096 4.320 0.024 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 0.756 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 -1.058 118.726 119.950 -0.277 0.000 2.744 150 F HA 0.728 5.269 4.527 0.024 0.000 0.311 150 F C -1.325 174.421 175.800 -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 1.588 120.819 119.070 0.269 0.000 2.573 151 H HA 0.799 5.370 4.556 0.024 0.000 0.351 151 H C -1.493 173.863 175.328 0.047 0.000 1.163 151 H CA -0.771 55.355 56.048 0.131 0.000 1.205 151 H CB 2.434 32.334 29.762 0.231 0.000 1.605 151 H HN 0.844 nan 8.280 nan 0.000 0.525 152 L N 2.178 123.251 121.223 -0.250 0.000 2.431 152 L HA 0.414 4.769 4.340 0.024 0.000 0.266 152 L C -1.769 174.799 176.870 -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 -0.427 0.000 1.310 152 L HN 0.497 nan 8.230 nan 0.000 0.409 153 W N 4.208 125.476 121.300 -0.054 0.000 2.844 153 W HA 0.651 5.326 4.660 0.024 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 4.608 124.010 119.300 0.170 0.000 2.516 154 C HA 0.292 4.766 4.460 0.024 0.000 0.338 154 C C 0.018 175.135 174.990 0.213 0.000 1.132 154 C CA -0.445 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 4.568 4.740 0.024 0.000 0.251 155 N C 1.009 176.586 175.510 0.112 0.000 1.031 155 N CA 2.045 55.150 53.050 0.093 0.000 0.720 155 N CB -1.335 37.204 38.487 0.086 0.000 0.930 155 N HN 1.977 nan 8.380 nan 0.000 0.543 156 G N -1.287 107.567 108.800 0.089 0.000 2.184 156 G HA2 -0.391 3.584 3.960 0.024 0.000 0.264 156 G HA3 -0.391 3.584 3.960 0.024 0.000 0.264 156 G C 0.228 175.293 174.900 0.276 0.000 0.975 156 G CA 0.820 45.961 45.100 0.069 0.000 0.642 156 G HN 0.600 nan 8.290 nan 0.000 0.536 157 R N -1.211 119.526 120.500 0.395 0.000 2.474 157 R HA 0.465 4.819 4.340 0.024 0.000 0.295 157 R C -0.238 176.381 176.300 0.531 0.000 0.980 157 R CA -0.890 55.521 56.100 0.519 0.000 0.934 157 R CB 0.889 31.516 30.300 0.545 0.000 1.101 157 R HN 0.223 nan 8.270 nan 0.000 0.469 158 W N 3.469 124.893 121.300 0.206 0.000 2.303 158 W HA 0.131 4.805 4.660 0.024 0.000 0.318 158 W C 0.037 176.370 176.519 -0.311 0.000 1.362 158 W CA -0.109 56.960 57.345 -0.459 0.000 1.234 158 W CB 0.706 29.886 29.460 -0.468 0.000 1.248 158 W HN 0.333 nan 8.180 nan 0.000 0.546 159 V N 5.505 124.635 119.914 -1.307 0.000 2.690 159 V HA 0.520 4.654 4.120 0.024 0.000 0.240 159 V C 1.098 176.208 176.094 -1.640 0.000 1.078 159 V CA 1.062 62.579 62.300 -1.304 0.000 1.102 159 V CB -0.555 30.584 31.823 -1.139 0.000 0.800 159 V HN 0.815 nan 8.190 nan 0.000 0.479 160 G N -1.770 105.774 108.800 -2.093 0.000 2.320 160 G HA2 0.434 4.408 3.960 0.024 0.000 0.296 160 G HA3 0.434 4.408 3.960 0.024 0.000 0.296 160 G C -2.446 172.012 174.900 -0.738 0.000 1.306 160 G CA -0.339 43.930 45.100 -1.386 0.000 0.836 160 G HN -0.017 nan 8.290 nan 0.000 0.517 161 Y N -0.379 119.687 120.300 -0.389 0.000 2.553 161 Y HA 0.760 5.324 4.550 0.024 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 1.306 nan 8.280 nan 0.000 0.466 162 G N 3.564 111.507 108.800 -1.429 0.000 2.742 162 G HA2 0.546 4.520 3.960 0.024 0.000 0.296 162 G HA3 0.546 4.520 3.960 0.024 0.000 0.296 162 G C -2.174 172.231 174.900 -0.825 0.000 1.436 162 G CA -0.953 43.593 45.100 -0.922 0.000 0.928 162 G HN 0.625 nan 8.290 nan 0.000 0.520 163 Q N 0.063 119.628 119.800 -0.391 0.000 2.495 163 Q HA 0.670 5.024 4.340 0.024 0.000 0.283 163 Q C -1.184 174.798 176.000 -0.029 0.000 1.097 163 Q CA -0.914 54.791 55.803 -0.163 0.000 0.836 163 Q CB 2.450 31.145 28.738 -0.071 0.000 1.426 163 Q HN 0.568 nan 8.270 nan 0.000 0.459 164 D N -0.331 120.093 120.400 0.040 0.000 4.150 164 D HA -0.095 4.559 4.640 0.024 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 2.691 118.461 115.700 0.116 0.000 2.419 165 S HA -0.153 4.331 4.470 0.024 0.000 0.235 165 S C 1.587 176.309 174.600 0.203 0.000 1.019 165 S CA 0.851 59.150 58.200 0.165 0.000 0.982 165 S CB 0.153 63.421 63.200 0.112 0.000 0.789 165 S HN 0.478 nan 8.310 nan 0.000 0.490 166 R N 0.288 120.873 120.500 0.141 0.000 2.393 166 R HA 0.435 4.790 4.340 0.024 0.000 0.244 166 R C -0.106 176.250 176.300 0.092 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 1.009 122.260 121.223 0.047 0.000 2.327 167 L HA 0.528 4.883 4.340 0.024 0.000 0.258 167 L C -2.427 174.420 176.870 -0.038 0.000 1.024 167 L CA -2.472 52.366 54.840 -0.003 0.000 0.825 167 L CB 2.631 44.682 42.059 -0.014 0.000 1.386 167 L HN -0.221 nan 8.230 nan 0.000 0.417 168 P HA 0.167 nan 4.420 nan 0.000 0.275 168 P C -1.330 175.934 177.300 -0.061 0.000 1.227 168 P CA -0.340 62.718 63.100 -0.070 0.000 0.781 168 P CB 0.948 32.572 31.700 -0.126 0.000 0.906 169 S N 1.625 117.338 115.700 0.022 0.000 2.473 169 S HA 0.467 4.951 4.470 0.024 0.000 0.307 169 S C -0.510 174.045 174.600 -0.075 0.000 1.094 169 S CA -0.831 57.324 58.200 -0.075 0.000 1.070 169 S CB 1.489 64.738 63.200 0.082 0.000 1.019 169 S HN 0.366 nan 8.310 nan 0.000 0.480 170 E N 1.503 121.452 120.200 -0.419 0.000 2.248 170 E HA 0.577 4.942 4.350 0.024 0.000 0.267 170 E C -1.523 174.709 176.600 -0.614 0.000 0.877 170 E CA -0.562 55.674 56.400 -0.274 0.000 0.759 170 E CB 1.648 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 0.523 120.542 119.950 0.115 0.000 2.576 171 F HA 0.239 4.781 4.527 0.024 0.000 0.313 171 F C 0.042 175.875 175.800 0.056 0.000 1.078 171 F CA -1.164 56.862 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 4.902 4.640 0.024 0.000 0.245 172 D C 0.278 176.717 176.300 0.233 0.000 1.171 172 D CA 0.224 54.341 54.000 0.195 0.000 0.856 172 D CB 0.995 41.893 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 4.375 4.340 0.024 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 1.237 117.127 115.700 0.318 0.000 2.399 174 S HA -0.293 4.192 4.470 0.024 0.000 0.235 174 S C 1.725 176.449 174.600 0.206 0.000 1.063 174 S CA 2.045 60.389 58.200 0.240 0.000 1.070 174 S CB -0.101 63.197 63.200 0.163 0.000 0.904 174 S HN 0.569 nan 8.310 nan 0.000 0.456 175 A N -1.216 121.724 122.820 0.200 0.000 2.460 175 A HA 0.505 4.839 4.320 0.024 0.000 0.258 175 A C 0.868 178.296 177.584 -0.260 0.000 1.300 175 A CA -0.213 51.794 52.037 -0.050 0.000 0.913 175 A CB -0.172 18.703 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 4.910 4.527 0.024 0.000 0.310 176 F C 0.647 176.487 175.800 0.067 0.000 1.097 176 F CA -0.297 57.747 58.000 0.072 0.000 1.238 176 F CB 0.153 39.202 39.000 0.083 0.000 1.061 176 F HN -0.014 nan 8.300 nan 0.000 0.591 177 L N 2.539 123.933 121.223 0.286 0.000 2.417 177 L HA 0.350 4.704 4.340 0.024 0.000 0.268 177 L C 0.350 177.275 176.870 0.091 0.000 1.158 177 L CA -0.266 54.683 54.840 0.180 0.000 0.819 177 L CB 0.746 42.934 42.059 0.214 0.000 1.112 177 L HN 0.128 nan 8.230 nan 0.000 0.458 178 R N 2.338 122.856 120.500 0.031 0.000 2.807 178 R HA 0.799 5.154 4.340 0.024 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 1.414 124.219 122.820 -0.024 0.000 2.440 179 A HA 0.523 4.857 4.320 0.024 0.000 0.251 179 A C 1.141 178.679 177.584 -0.075 0.000 1.089 179 A CA 0.817 52.831 52.037 -0.039 0.000 0.779 179 A CB -0.329 18.659 19.000 -0.020 0.000 1.022 179 A HN 1.277 nan 8.150 nan 0.000 0.492 180 G N 1.287 110.027 108.800 -0.100 0.000 2.728 180 G HA2 -0.233 3.741 3.960 0.024 0.000 0.269 180 G HA3 -0.233 3.741 3.960 0.024 0.000 0.269 180 G C 0.203 174.985 174.900 -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 2.030 122.118 120.200 -0.187 0.000 2.152 181 E HA 0.435 4.799 4.350 0.024 0.000 0.285 181 E C -0.310 176.100 176.600 -0.317 0.000 1.043 181 E CA -0.391 55.858 56.400 -0.252 0.000 0.839 181 E CB 0.140 29.738 29.700 -0.170 0.000 1.069 181 E HN 0.397 nan 8.360 nan 0.000 0.399 182 N N 3.338 121.688 118.700 -0.583 0.000 2.328 182 N HA 0.422 5.177 4.740 0.024 0.000 0.299 182 N C -0.996 174.156 175.510 -0.596 0.000 1.179 182 N CA -0.647 52.011 53.050 -0.654 0.000 0.793 182 N CB 2.027 39.864 38.487 -1.084 0.000 1.366 182 N HN 0.370 nan 8.380 nan 0.000 0.493 183 R N 1.441 121.814 120.500 -0.212 0.000 2.574 183 R HA 0.486 4.840 4.340 0.024 0.000 0.288 183 R C -1.404 174.977 176.300 0.136 0.000 1.004 183 R CA -0.503 55.596 56.100 -0.002 0.000 0.895 183 R CB 1.295 31.559 30.300 -0.061 0.000 1.191 183 R HN 0.487 nan 8.270 nan 0.000 0.444 184 L N 2.733 124.075 121.223 0.197 0.000 2.317 184 L HA 0.719 5.073 4.340 0.024 0.000 0.281 184 L C -0.361 176.585 176.870 0.127 0.000 1.024 184 L CA -0.875 54.081 54.840 0.192 0.000 0.810 184 L CB 2.008 44.194 42.059 0.212 0.000 1.240 184 L HN 0.706 nan 8.230 nan 0.000 0.427 185 A N 3.417 126.312 122.820 0.124 0.000 2.332 185 A HA 0.730 5.064 4.320 0.024 0.000 0.300 185 A C -1.000 176.858 177.584 0.457 0.000 1.153 185 A CA -0.443 51.594 52.037 0.000 0.000 0.764 185 A CB 1.405 19.834 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 4.687 4.120 0.024 0.000 0.288 186 V C -0.057 176.551 176.094 0.857 0.000 1.016 186 V CA -0.260 62.484 62.300 0.741 0.000 0.840 186 V CB 1.173 33.323 31.823 0.546 0.000 0.994 186 V HN 0.994 nan 8.190 nan 0.000 0.431 187 M N 6.161 126.250 119.600 0.814 0.000 2.072 187 M HA 0.744 5.238 4.480 0.024 0.000 0.331 187 M C -1.470 175.092 176.300 0.436 0.000 1.004 187 M CA -0.175 55.455 55.300 0.550 0.000 0.952 187 M CB 1.615 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 6.069 126.203 119.914 0.367 0.000 2.350 188 V HA 0.418 4.553 4.120 0.024 0.000 0.276 188 V C -0.062 176.192 176.094 0.266 0.000 1.028 188 V CA -0.573 61.937 62.300 0.350 0.000 0.860 188 V CB 0.964 33.059 31.823 0.453 0.000 0.990 188 V HN 0.873 nan 8.190 nan 0.000 0.453 189 L N 5.265 126.575 121.223 0.146 0.000 2.292 189 L HA 0.505 4.859 4.340 0.024 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 0.009 0.000 0.806 189 L CB 1.126 43.099 42.059 -0.142 0.000 1.175 189 L HN 0.709 nan 8.230 nan 0.000 0.431 190 R N 3.059 123.501 120.500 -0.097 0.000 2.066 190 R HA -0.042 4.313 4.340 0.024 0.000 0.232 190 R C -0.292 175.739 176.300 -0.448 0.000 1.131 190 R CA 0.830 56.674 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 1.273 122.630 121.300 0.095 0.000 2.496 191 W HA 0.412 5.086 4.660 0.024 0.000 0.327 191 W C -0.187 176.439 176.519 0.179 0.000 1.086 191 W CA -0.869 56.539 57.345 0.105 0.000 1.222 191 W CB 1.678 31.204 29.460 0.110 0.000 1.304 191 W HN 0.150 nan 8.180 nan 0.000 0.547 192 S N -0.931 115.050 115.700 0.468 0.000 2.688 192 S HA 0.204 4.689 4.470 0.024 0.000 0.275 192 S C 0.133 174.974 174.600 0.402 0.000 1.175 192 S CA -0.421 58.069 58.200 0.484 0.000 0.818 192 S CB 1.188 64.644 63.200 0.427 0.000 1.157 192 S HN 0.607 nan 8.310 nan 0.000 0.482 193 D N 0.290 120.931 120.400 0.402 0.000 2.264 193 D HA 0.080 4.735 4.640 0.024 0.000 0.208 193 D C 1.732 178.326 176.300 0.490 0.000 0.966 193 D CA 1.189 55.462 54.000 0.454 0.000 0.864 193 D CB -0.763 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 -0.133 108.877 108.800 0.350 0.000 2.471 194 G HA2 -0.224 3.751 3.960 0.024 0.000 0.219 194 G HA3 -0.224 3.751 3.960 0.024 0.000 0.219 194 G C 1.666 176.741 174.900 0.291 0.000 1.125 194 G CA 0.651 45.932 45.100 0.301 0.000 0.775 194 G HN 0.317 nan 8.290 nan 0.000 0.548 195 S N -0.171 115.686 115.700 0.261 0.000 2.423 195 S HA -0.055 4.429 4.470 0.024 0.000 0.231 195 S C 1.881 176.594 174.600 0.189 0.000 1.014 195 S CA 0.489 58.813 58.200 0.207 0.000 0.965 195 S CB -0.380 62.945 63.200 0.209 0.000 0.785 195 S HN 0.552 nan 8.310 nan 0.000 0.495 196 Y N 1.287 121.724 120.300 0.228 0.000 2.403 196 Y HA 0.018 4.582 4.550 0.024 0.000 0.291 196 Y C 1.640 177.668 175.900 0.214 0.000 1.143 196 Y CA 0.696 58.868 58.100 0.120 0.000 1.257 196 Y CB -0.205 38.196 38.460 -0.099 0.000 0.984 196 Y HN 0.194 nan 8.280 nan 0.000 0.550 197 L N -0.211 121.214 121.223 0.337 0.000 2.667 197 L HA 0.105 4.459 4.340 0.024 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 -0.056 120.293 120.200 0.247 0.000 3.896 198 E HA 0.052 4.416 4.350 0.024 0.000 0.217 198 E C -0.614 176.086 176.600 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 4.697 4.640 0.024 0.000 0.250 199 D C -0.347 175.937 176.300 -0.026 0.000 1.304 199 D CA -0.223 53.709 54.000 -0.112 0.000 0.861 199 D CB 0.167 40.596 40.800 -0.618 0.000 1.062 199 D HN 0.024 nan 8.370 nan 0.000 0.481 200 Q N 0.482 120.363 119.800 0.135 0.000 2.373 200 Q HA 0.149 4.503 4.340 0.024 0.000 0.255 200 Q C -0.214 175.902 176.000 0.192 0.000 0.980 200 Q CA -0.090 55.870 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 3.184 123.725 120.400 0.236 0.000 2.429 201 D HA 0.177 4.831 4.640 0.024 0.000 0.253 201 D C -0.811 175.625 176.300 0.227 0.000 1.294 201 D CA 0.248 54.352 54.000 0.173 0.000 1.063 201 D CB -0.438 40.472 40.800 0.184 0.000 1.096 201 D HN 0.477 nan 8.370 nan 0.000 0.516 202 M N 0.593 120.284 119.600 0.150 0.000 2.956 202 M HA 0.354 4.848 4.480 0.024 0.000 0.272 202 M C -1.337 175.046 176.300 0.139 0.000 1.132 202 M CA -1.202 54.136 55.300 0.063 0.000 0.805 202 M CB 0.862 33.423 32.600 -0.064 0.000 1.639 202 M HN -0.074 nan 8.290 nan 0.000 0.520 203 W N 1.898 123.306 121.300 0.180 0.000 2.231 203 W HA 0.279 4.954 4.660 0.024 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 4.587 125.262 120.500 0.290 0.000 2.204 204 R HA 0.428 4.782 4.340 0.024 0.000 0.341 204 R C -0.171 176.148 176.300 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 0.274 119.788 119.600 -0.145 0.000 2.792 205 M HA 0.552 5.046 4.480 0.024 0.000 0.290 205 M C -0.188 175.795 176.300 -0.529 0.000 1.155 205 M CA -0.763 54.334 55.300 -0.338 0.000 0.781 205 M CB 2.228 34.620 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 5.388 4.470 0.024 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 -0.848 0.000 0.825 206 S CB 1.621 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 0.158 108.746 108.800 -0.353 0.000 2.343 207 G HA2 0.159 4.134 3.960 0.024 0.000 0.562 207 G HA3 0.159 4.134 3.960 0.024 0.000 0.562 207 G C -1.266 173.649 174.900 0.025 0.000 1.269 207 G CA -0.637 44.492 45.100 0.050 0.000 1.011 207 G HN 1.188 nan 8.290 nan 0.000 0.498 208 I N 2.150 122.584 120.570 -0.227 0.000 2.227 208 I HA 0.234 4.418 4.170 0.024 0.000 0.297 208 I C 1.293 177.265 176.117 -0.243 0.000 1.173 208 I CA -0.037 61.020 61.300 -0.404 0.000 1.356 208 I CB -0.479 37.030 38.000 -0.818 0.000 1.485 208 I HN 0.495 nan 8.210 nan 0.000 0.604 209 F N 4.025 123.826 119.950 -0.250 0.000 2.727 209 F HA 0.402 4.943 4.527 0.023 0.000 0.302 209 F C 0.797 176.515 175.800 -0.135 0.000 1.097 209 F CA -0.530 57.355 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 0.660 120.696 120.500 -0.773 0.000 2.950 210 R HA 0.287 4.642 4.340 0.024 0.000 0.253 210 R C -0.894 175.189 176.300 -0.360 0.000 1.168 210 R CA -1.077 54.719 56.100 -0.506 0.000 1.014 210 R CB 0.475 30.434 30.300 -0.568 0.000 1.228 210 R HN 0.005 nan 8.270 nan 0.000 0.487 211 D N 0.354 120.602 120.400 -0.254 0.000 2.354 211 D HA 0.222 4.876 4.640 0.024 0.000 0.238 211 D C -0.385 175.756 176.300 -0.265 0.000 1.250 211 D CA 0.061 53.935 54.000 -0.210 0.000 0.911 211 D CB 0.468 41.193 40.800 -0.124 0.000 1.163 211 D HN 0.037 nan 8.370 nan 0.000 0.456 212 V N 0.332 120.098 119.914 -0.247 0.000 2.577 212 V HA 0.585 4.719 4.120 0.024 0.000 0.303 212 V C -0.338 175.624 176.094 -0.219 0.000 1.042 212 V CA -0.574 61.522 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 4.421 119.972 115.700 -0.248 0.000 2.651 213 S HA 0.784 5.268 4.470 0.024 0.000 0.279 213 S C -1.236 173.311 174.600 -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 2.057 123.295 121.223 0.026 0.000 2.385 214 L HA 0.636 4.991 4.340 0.024 0.000 0.273 214 L C -1.669 175.334 176.870 0.221 0.000 0.990 214 L CA -0.719 54.212 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 3.103 124.422 121.223 0.160 0.000 2.385 215 L HA 0.478 4.832 4.340 0.024 0.000 0.273 215 L C -0.954 175.856 176.870 -0.101 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 4.280 123.057 119.070 -0.489 0.000 2.597 216 H HA 0.542 5.112 4.556 0.024 0.000 0.303 216 H C -1.119 173.944 175.328 -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 -1.796 0.000 1.397 216 H HN 0.588 nan 8.280 nan 0.000 0.461 217 K N 5.711 125.617 120.400 -0.823 0.000 2.281 217 K HA 0.370 4.704 4.320 0.024 0.000 0.242 217 K C -2.627 173.607 176.600 -0.609 0.000 0.971 217 K CA -2.192 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 0.225 177.409 177.300 -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 -2.634 111.848 114.554 -0.119 0.000 2.942 219 T HA 0.000 4.365 4.350 0.024 0.000 0.265 219 T C 0.603 175.249 174.700 -0.090 0.000 1.062 219 T CA 1.272 63.316 62.100 -0.092 0.000 1.139 219 T CB -0.499 68.339 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 4.855 4.350 0.024 0.000 0.297 220 T C -0.351 174.286 174.700 -0.104 0.000 0.997 220 T CA -0.767 61.278 62.100 -0.092 0.000 0.949 220 T CB 0.900 69.730 68.868 -0.063 0.000 0.941 220 T HN 0.503 nan 8.240 nan 0.000 0.457 221 Q N 2.579 122.299 119.800 -0.133 0.000 2.693 221 Q HA 0.629 4.983 4.340 0.024 0.000 0.306 221 Q C -1.221 174.687 176.000 -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 -0.202 0.000 1.494 221 Q HN 0.442 nan 8.270 nan 0.000 0.459 222 I N 2.506 122.956 120.570 -0.200 0.000 2.337 222 I HA 0.066 4.251 4.170 0.024 0.000 0.291 222 I C 0.640 176.628 176.117 -0.215 0.000 1.046 222 I CA -0.151 61.048 61.300 -0.168 0.000 1.324 222 I CB 1.280 39.148 38.000 -0.222 0.000 1.409 222 I HN 0.826 nan 8.210 nan 0.000 0.494 223 S N 2.995 118.679 115.700 -0.027 0.000 2.470 223 S HA 0.134 4.618 4.470 0.024 0.000 0.222 223 S C 0.263 175.050 174.600 0.312 0.000 1.024 223 S CA -0.087 58.156 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 -0.522 120.090 120.400 0.353 0.000 2.742 224 D HA 0.504 5.158 4.640 0.024 0.000 0.262 224 D C -1.899 174.643 176.300 0.403 0.000 1.240 224 D CA -0.817 53.431 54.000 0.414 0.000 0.752 224 D CB 1.311 42.237 40.800 0.210 0.000 1.290 224 D HN 0.199 nan 8.370 nan 0.000 0.420 225 F N -0.755 119.296 119.950 0.169 0.000 2.688 225 F HA 0.671 5.212 4.527 0.025 0.000 0.308 225 F C -1.591 174.328 175.800 0.198 0.000 1.117 225 F CA -0.762 57.250 58.000 0.020 0.000 0.976 225 F CB 1.225 40.264 39.000 0.066 0.000 1.291 225 F HN 0.319 nan 8.300 nan 0.000 0.439 226 H N 0.950 120.044 119.070 0.042 0.000 2.821 226 H HA 0.805 5.376 4.556 0.024 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 0.985 120.984 119.914 0.142 0.000 2.769 227 V HA 0.825 4.959 4.120 0.024 0.000 0.312 227 V C -0.411 175.672 176.094 -0.019 0.000 1.058 227 V CA -0.527 61.807 62.300 0.056 0.000 0.952 227 V CB 1.630 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 1.934 124.713 122.820 -0.070 0.000 2.589 228 A HA 0.850 5.184 4.320 0.024 0.000 0.296 228 A C -0.542 176.931 177.584 -0.184 0.000 1.062 228 A CA -0.269 51.706 52.037 -0.102 0.000 0.686 228 A CB 2.162 21.131 19.000 -0.052 0.000 1.282 228 A HN 1.003 nan 8.150 nan 0.000 0.404 229 T N -0.126 114.297 114.554 -0.219 0.000 2.881 229 T HA 0.739 5.104 4.350 0.024 0.000 0.291 229 T C -0.484 173.967 174.700 -0.415 0.000 0.990 229 T CA -0.634 61.248 62.100 -0.363 0.000 0.976 229 T CB 1.017 69.573 68.868 -0.522 0.000 0.970 229 T HN 0.719 nan 8.240 nan 0.000 0.438 230 R N 1.972 122.204 120.500 -0.447 0.000 2.668 230 R HA 0.799 5.153 4.340 0.024 0.000 0.279 230 R C -0.956 174.899 176.300 -0.742 0.000 0.976 230 R CA -0.697 55.160 56.100 -0.405 0.000 0.978 230 R CB 1.276 31.469 30.300 -0.178 0.000 1.133 230 R HN 0.567 nan 8.270 nan 0.000 0.484 231 F N 0.143 120.096 119.950 0.004 0.000 2.631 231 F HA 0.383 4.924 4.527 0.022 0.000 0.328 231 F C 0.536 176.216 175.800 -0.200 0.000 1.067 231 F CA -1.061 56.886 58.000 -0.088 0.000 0.969 231 F CB 1.135 39.998 39.000 -0.229 0.000 1.332 231 F HN 0.537 nan 8.300 nan 0.000 0.490 232 N N 0.111 118.799 118.700 -0.020 0.000 2.491 232 N HA 0.078 4.832 4.740 0.024 0.000 0.279 232 N C 0.461 175.827 175.510 -0.241 0.000 1.236 232 N CA -0.173 52.818 53.050 -0.098 0.000 0.982 232 N CB 0.482 38.943 38.487 -0.042 0.000 1.194 232 N HN 0.739 nan 8.380 nan 0.000 0.582 233 D N -0.436 119.872 120.400 -0.154 0.000 2.172 233 D HA -0.271 4.384 4.640 0.024 0.000 0.196 233 D C 0.319 176.509 176.300 -0.183 0.000 0.999 233 D CA 1.937 55.844 54.000 -0.155 0.000 0.856 233 D CB -0.518 40.246 40.800 -0.059 0.000 0.934 233 D HN 0.744 nan 8.370 nan 0.000 0.453 234 D N -2.076 118.260 120.400 -0.106 0.000 2.440 234 D HA 0.050 4.704 4.640 0.024 0.000 0.216 234 D C 0.321 176.746 176.300 0.208 0.000 1.150 234 D CA -0.797 53.243 54.000 0.066 0.000 0.832 234 D CB -1.066 39.790 40.800 0.092 0.000 0.992 234 D HN 0.253 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 4.234 4.527 0.022 0.000 0.292 235 F C 1.650 177.508 175.800 0.097 0.000 0.747 235 F CA 0.809 58.859 58.000 0.083 0.000 1.222 235 F CB -2.370 36.576 39.000 -0.089 0.000 1.457 235 F HN 0.172 nan 8.300 nan 0.000 0.383 236 S N -0.244 115.562 115.700 0.178 0.000 2.527 236 S HA 0.106 4.590 4.470 0.024 0.000 0.222 236 S C 0.658 175.315 174.600 0.094 0.000 0.985 236 S CA 0.270 58.542 58.200 0.121 0.000 0.921 236 S CB 0.120 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 0.354 120.921 120.500 0.112 0.000 2.651 237 R HA 0.834 5.189 4.340 0.024 0.000 0.278 237 R C -1.317 175.033 176.300 0.083 0.000 1.010 237 R CA -0.690 55.448 56.100 0.063 0.000 0.896 237 R CB 1.605 31.913 30.300 0.014 0.000 1.211 237 R HN 0.124 nan 8.270 nan 0.000 0.456 238 A N 1.594 124.411 122.820 -0.004 0.000 2.479 238 A HA 0.774 5.108 4.320 0.024 0.000 0.296 238 A C -1.126 176.405 177.584 -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 1.066 120.900 119.914 -0.135 0.000 2.531 239 V HA 0.478 4.612 4.120 0.024 0.000 0.301 239 V C -0.849 175.201 176.094 -0.073 0.000 1.034 239 V CA -0.404 61.849 62.300 -0.079 0.000 0.865 239 V CB 1.375 33.140 31.823 -0.097 0.000 0.995 239 V HN 0.822 nan 8.190 nan 0.000 0.424 240 L N 4.271 125.482 121.223 -0.019 0.000 2.295 240 L HA 0.622 4.976 4.340 0.024 0.000 0.285 240 L C -0.158 176.676 176.870 -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 43.308 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 5.074 4.350 0.024 0.000 0.263 241 E C -1.507 175.083 176.600 -0.017 0.000 0.881 241 E CA -0.815 55.558 56.400 -0.044 0.000 0.757 241 E CB 1.670 31.342 29.700 -0.047 0.000 1.147 241 E HN 0.777 nan 8.360 nan 0.000 0.414 242 A N 4.167 126.983 122.820 -0.005 0.000 2.343 242 A HA 0.408 4.742 4.320 0.024 0.000 0.316 242 A C -0.819 176.764 177.584 -0.001 0.000 1.104 242 A CA -0.648 51.407 52.037 0.030 0.000 0.768 242 A CB 1.290 20.315 19.000 0.042 0.000 1.213 242 A HN 0.670 nan 8.150 nan 0.000 0.456 243 E N 2.455 122.646 120.200 -0.015 0.000 2.176 243 E HA 0.588 4.952 4.350 0.024 0.000 0.267 243 E C -1.608 174.929 176.600 -0.105 0.000 0.893 243 E CA -0.459 55.882 56.400 -0.098 0.000 0.761 243 E CB 1.502 31.101 29.700 -0.169 0.000 1.133 243 E HN 0.395 nan 8.360 nan 0.000 0.409 244 V N 4.740 124.634 119.914 -0.034 0.000 2.604 244 V HA 0.343 4.477 4.120 0.024 0.000 0.305 244 V C -0.450 175.717 176.094 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 0.734 nan 8.190 nan 0.000 0.429 245 Q N 4.206 124.070 119.800 0.107 0.000 2.413 245 Q HA 0.891 5.245 4.340 0.024 0.000 0.276 245 Q C -0.983 175.044 176.000 0.045 0.000 1.099 245 Q CA -1.027 54.824 55.803 0.080 0.000 0.814 245 Q CB 2.926 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 -0.655 118.876 119.600 -0.115 0.000 2.690 246 M HA 0.800 5.294 4.480 0.024 0.000 0.302 246 M C -1.477 174.691 176.300 -0.218 0.000 1.234 246 M CA -0.433 54.738 55.300 -0.216 0.000 0.853 246 M CB 2.299 34.589 32.600 -0.515 0.000 1.748 246 M HN 0.631 nan 8.290 nan 0.000 0.469 247 C N 1.216 120.406 119.300 -0.184 0.000 2.498 247 C HA 1.019 5.494 4.460 0.024 0.000 0.316 247 C C 0.489 175.388 174.990 -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 3.534 112.255 108.800 -0.132 0.000 2.331 248 G HA2 0.106 4.081 3.960 0.024 0.000 0.479 248 G HA3 0.106 4.081 3.960 0.024 0.000 0.479 248 G C -1.446 173.378 174.900 -0.127 0.000 1.262 248 G CA -0.662 44.369 45.100 -0.114 0.000 1.029 248 G HN 0.784 nan 8.290 nan 0.000 0.487 249 E N 0.067 120.203 120.200 -0.106 0.000 2.200 249 E HA 0.617 4.981 4.350 0.024 0.000 0.283 249 E C 0.242 176.743 176.600 -0.165 0.000 1.015 249 E CA -0.788 55.543 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 3.557 124.670 121.223 -0.182 0.000 2.530 250 L HA 0.183 4.537 4.340 0.024 0.000 0.273 250 L C -0.217 176.524 176.870 -0.215 0.000 1.141 250 L CA 0.045 54.755 54.840 -0.216 0.000 0.905 250 L CB 0.129 42.078 42.059 -0.183 0.000 1.202 250 L HN 0.459 nan 8.230 nan 0.000 0.473 251 R N 1.691 121.993 120.500 -0.330 0.000 2.561 251 R HA 0.155 4.509 4.340 0.024 0.000 0.297 251 R C 0.598 176.605 176.300 -0.488 0.000 0.969 251 R CA -0.681 55.126 56.100 -0.488 0.000 0.879 251 R CB 1.184 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 2.232 122.476 120.400 -0.259 0.000 2.322 252 D HA -0.271 4.384 4.640 0.024 0.000 0.210 252 D C 0.967 177.240 176.300 -0.044 0.000 0.983 252 D CA 1.410 55.349 54.000 -0.102 0.000 0.902 252 D CB -0.403 40.389 40.800 -0.014 0.000 0.905 252 D HN 0.725 nan 8.370 nan 0.000 0.483 253 Y N -0.526 119.792 120.300 0.029 0.000 2.490 253 Y HA 0.362 4.927 4.550 0.024 0.000 0.281 253 Y C 0.612 176.526 175.900 0.023 0.000 1.174 253 Y CA -0.951 57.165 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 -0.057 0.000 2.380 254 L HA 0.358 4.713 4.340 0.024 0.000 0.273 254 L C 0.280 177.135 176.870 -0.025 0.000 1.138 254 L CA -0.013 54.839 54.840 0.020 0.000 0.832 254 L CB 0.587 42.673 42.059 0.045 0.000 1.124 254 L HN 0.208 nan 8.230 nan 0.000 0.454 255 R N 2.291 122.670 120.500 -0.203 0.000 2.817 255 R HA 0.772 5.126 4.340 0.024 0.000 0.268 255 R C -1.555 174.365 176.300 -0.633 0.000 1.027 255 R CA -0.887 54.947 56.100 -0.443 0.000 0.928 255 R CB 2.385 32.400 30.300 -0.475 0.000 1.228 255 R HN 0.276 nan 8.270 nan 0.000 0.469 256 V N 0.671 120.261 119.914 -0.540 0.000 2.760 256 V HA 0.473 4.608 4.120 0.024 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 2.379 33.942 31.823 -0.434 0.000 1.008 256 V HN 0.768 nan 8.190 nan 0.000 0.424 257 T N 3.565 118.129 114.554 0.018 0.000 2.841 257 T HA 0.626 4.990 4.350 0.024 0.000 0.285 257 T C -0.788 173.925 174.700 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 3.806 123.717 119.914 -0.004 0.000 2.409 258 V HA 0.668 4.802 4.120 0.024 0.000 0.291 258 V C -0.232 175.867 176.094 0.009 0.000 1.020 258 V CA -0.726 61.571 62.300 -0.006 0.000 0.848 258 V CB 1.755 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 5.379 121.111 115.700 0.054 0.000 2.526 259 S HA 0.841 5.325 4.470 0.024 0.000 0.293 259 S C -1.054 173.564 174.600 0.031 0.000 1.092 259 S CA -0.766 57.442 58.200 0.014 0.000 0.980 259 S CB 2.274 65.547 63.200 0.122 0.000 1.048 259 S HN 0.499 nan 8.310 nan 0.000 0.483 260 L N 2.499 123.615 121.223 -0.177 0.000 2.325 260 L HA 0.728 5.083 4.340 0.024 0.000 0.281 260 L C -1.917 174.785 176.870 -0.280 0.000 1.004 260 L CA -0.307 54.509 54.840 -0.040 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 0.156 0.000 2.627 261 W HA 0.611 5.286 4.660 0.024 0.000 0.339 261 W C -0.358 176.234 176.519 0.121 0.000 1.058 261 W CA -0.476 56.937 57.345 0.113 0.000 1.223 261 W CB 1.303 30.789 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 4.843 4.340 0.024 0.000 0.249 262 Q C 0.560 176.600 176.000 0.068 0.000 1.011 262 Q CA 0.530 56.340 55.803 0.011 0.000 0.734 262 Q CB 0.434 29.050 28.738 -0.202 0.000 1.201 262 Q HN 0.794 nan 8.270 nan 0.000 0.498 263 G N 2.740 111.597 108.800 0.094 0.000 2.728 263 G HA2 -0.282 3.692 3.960 0.024 0.000 0.269 263 G HA3 -0.282 3.692 3.960 0.024 0.000 0.269 263 G C 0.416 175.397 174.900 0.135 0.000 1.334 263 G CA 0.241 45.384 45.100 0.071 0.000 0.974 263 G HN 0.530 nan 8.290 nan 0.000 0.550 264 E N 0.932 121.222 120.200 0.150 0.000 2.473 264 E HA 0.205 4.569 4.350 0.024 0.000 0.204 264 E C 0.668 177.489 176.600 0.368 0.000 0.994 264 E CA 0.673 57.178 56.400 0.175 0.000 0.945 264 E CB 0.547 30.299 29.700 0.086 0.000 0.990 264 E HN 0.388 nan 8.360 nan 0.000 0.493 265 T N 2.449 117.180 114.554 0.295 0.000 2.729 265 T HA 0.123 4.487 4.350 0.024 0.000 0.296 265 T C 0.173 174.915 174.700 0.069 0.000 0.928 265 T CA -0.135 62.076 62.100 0.184 0.000 1.045 265 T CB 0.992 69.906 68.868 0.077 0.000 0.902 265 T HN 0.038 nan 8.240 nan 0.000 0.500 266 Q N 3.450 123.074 119.800 -0.292 0.000 2.286 266 Q HA 0.289 4.643 4.340 0.024 0.000 0.257 266 Q C -0.101 175.632 176.000 -0.445 0.000 0.941 266 Q CA -0.471 54.746 55.803 -0.977 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 4.533 4.120 0.024 0.000 0.245 267 V C 0.220 176.223 176.094 -0.151 0.000 1.114 267 V CA 0.911 63.120 62.300 -0.150 0.000 1.108 267 V CB 0.570 32.400 31.823 0.012 0.000 0.798 267 V HN 0.847 nan 8.190 nan 0.000 0.471 268 A N -0.573 122.120 122.820 -0.212 0.000 2.605 268 A HA 0.762 5.096 4.320 0.024 0.000 0.294 268 A C -0.750 176.722 177.584 -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 20.795 19.000 -0.089 0.000 1.278 268 A HN 0.227 nan 8.150 nan 0.000 0.410 269 S N 0.143 115.764 115.700 -0.132 0.000 2.546 269 S HA 0.873 5.358 4.470 0.024 0.000 0.274 269 S C -0.424 174.140 174.600 -0.059 0.000 1.121 269 S CA 0.206 58.347 58.200 -0.097 0.000 0.887 269 S CB 1.729 64.871 63.200 -0.096 0.000 1.094 269 S HN 2.367 nan 8.310 nan 0.000 0.474 270 G N 1.513 110.290 108.800 -0.039 0.000 2.719 270 G HA2 0.632 4.607 3.960 0.024 0.000 0.298 270 G HA3 0.632 4.607 3.960 0.024 0.000 0.298 270 G C -1.342 173.543 174.900 -0.024 0.000 1.411 270 G CA -0.540 44.539 45.100 -0.035 0.000 0.991 270 G HN 0.779 nan 8.290 nan 0.000 0.509 271 T N 0.017 114.557 114.554 -0.023 0.000 2.861 271 T HA 0.863 5.227 4.350 0.024 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 1.560 nan 8.240 nan 0.000 0.448 272 A N 3.637 126.384 122.820 -0.123 0.000 2.586 272 A HA 0.945 5.279 4.320 0.024 0.000 0.290 272 A C -3.198 174.228 177.584 -0.264 0.000 1.086 272 A CA -1.458 50.485 52.037 -0.156 0.000 0.665 272 A CB 1.320 20.231 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 4.961 4.527 0.023 0.000 0.348 274 F C 1.555 177.335 175.800 -0.033 0.000 1.163 274 F CA 1.799 59.767 58.000 -0.054 0.000 1.331 274 F CB 0.017 38.977 39.000 -0.066 0.000 1.138 274 F HN 0.592 nan 8.300 nan 0.000 0.602 275 G N 1.750 110.678 108.800 0.214 0.000 2.951 275 G HA2 0.338 4.313 3.960 0.024 0.000 0.508 275 G HA3 0.338 4.313 3.960 0.024 0.000 0.508 275 G C -0.442 174.509 174.900 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 0.630 109.499 108.800 0.114 0.000 2.588 276 G HA2 0.663 4.637 3.960 0.024 0.000 0.281 276 G HA3 0.663 4.637 3.960 0.024 0.000 0.281 276 G C 0.247 175.184 174.900 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 4.618 4.350 0.024 0.000 0.256 277 E C 0.112 176.731 176.600 0.032 0.000 1.145 277 E CA -0.631 55.789 56.400 0.033 0.000 0.929 277 E CB 0.513 30.228 29.700 0.025 0.000 0.998 277 E HN 0.096 nan 8.360 nan 0.000 0.442 278 I N 2.308 122.886 120.570 0.013 0.000 2.618 278 I HA -0.065 4.119 4.170 0.024 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 2.399 122.966 120.570 -0.006 0.000 3.616 279 I HA 0.237 4.421 4.170 0.024 0.000 0.296 279 I C -0.112 176.002 176.117 -0.004 0.000 1.226 279 I CA 0.289 61.595 61.300 0.010 0.000 1.394 279 I CB 0.613 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 4.838 4.640 0.024 0.000 0.320 280 D C 0.370 176.651 176.300 -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 -0.954 119.230 120.200 -0.027 0.000 2.267 281 E HA -0.084 4.280 4.350 0.024 0.000 0.197 281 E C 1.446 178.025 176.600 -0.035 0.000 0.998 281 E CA 1.106 57.491 56.400 -0.026 0.000 0.830 281 E CB -0.054 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 -0.590 119.880 120.500 -0.051 0.000 2.312 282 R HA 0.337 4.691 4.340 0.024 0.000 0.205 282 R C 1.043 177.298 176.300 -0.075 0.000 0.904 282 R CA 0.745 56.808 56.100 -0.062 0.000 1.052 282 R CB 0.760 31.016 30.300 -0.074 0.000 1.014 282 R HN 0.194 nan 8.270 nan 0.000 0.503 283 G N -0.245 108.509 108.800 -0.077 0.000 2.317 283 G HA2 -0.016 3.958 3.960 0.024 0.000 0.196 283 G HA3 -0.016 3.958 3.960 0.024 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 0.651 4.626 3.960 0.024 0.000 0.281 284 G HA3 0.651 4.626 3.960 0.024 0.000 0.281 284 G C -1.582 173.201 174.900 -0.196 0.000 1.386 284 G CA -0.768 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 4.977 4.550 0.023 0.000 0.344 285 Y C 1.401 177.315 175.900 0.024 0.000 0.995 285 Y CA 0.257 58.365 58.100 0.013 0.000 1.201 285 Y CB 1.837 40.309 38.460 0.020 0.000 1.151 285 Y HN 0.544 nan 8.280 nan 0.000 0.517 286 A N 1.828 124.718 122.820 0.116 0.000 2.072 286 A HA -0.097 4.237 4.320 0.024 0.000 0.216 286 A C 1.281 178.919 177.584 0.089 0.000 1.156 286 A CA 1.064 53.152 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 -0.799 119.636 120.400 0.059 0.000 2.395 287 D HA 0.184 4.838 4.640 0.024 0.000 0.226 287 D C 0.450 176.772 176.300 0.037 0.000 1.146 287 D CA -0.003 53.926 54.000 -0.119 0.000 0.830 287 D CB -0.040 40.684 40.800 -0.127 0.000 0.958 287 D HN 0.311 nan 8.370 nan 0.000 0.501 288 R N -0.854 119.812 120.500 0.277 0.000 2.808 288 R HA 0.731 5.085 4.340 0.024 0.000 0.272 288 R C -1.746 174.736 176.300 0.304 0.000 0.995 288 R CA -1.062 55.209 56.100 0.286 0.000 0.917 288 R CB 3.061 33.411 30.300 0.083 0.000 1.217 288 R HN -0.012 nan 8.270 nan 0.000 0.471 289 V N 0.466 120.459 119.914 0.132 0.000 3.048 289 V HA 0.568 4.703 4.120 0.024 0.000 0.303 289 V C -1.631 174.428 176.094 -0.059 0.000 1.214 289 V CA -0.245 62.031 62.300 -0.041 0.000 0.984 289 V CB 2.735 34.375 31.823 -0.305 0.000 1.054 289 V HN 0.806 nan 8.190 nan 0.000 0.430 290 T N 7.273 121.792 114.554 -0.058 0.000 2.840 290 T HA 0.694 5.059 4.350 0.024 0.000 0.287 290 T C -0.698 173.968 174.700 -0.057 0.000 0.991 290 T CA -0.242 61.828 62.100 -0.050 0.000 0.964 290 T CB 1.157 70.007 68.868 -0.029 0.000 0.954 290 T HN 0.537 nan 8.240 nan 0.000 0.438 291 L N 2.844 124.033 121.223 -0.056 0.000 2.334 291 L HA 0.714 5.068 4.340 0.024 0.000 0.270 291 L C 0.353 177.198 176.870 -0.041 0.000 1.018 291 L CA -1.077 53.731 54.840 -0.054 0.000 0.811 291 L CB 1.320 43.342 42.059 -0.062 0.000 1.271 291 L HN 0.375 nan 8.230 nan 0.000 0.443 292 R N 2.417 122.893 120.500 -0.040 0.000 2.483 292 R HA 0.636 4.991 4.340 0.024 0.000 0.303 292 R C -1.602 174.676 176.300 -0.037 0.000 0.987 292 R CA -0.639 55.438 56.100 -0.038 0.000 0.881 292 R CB 1.617 31.895 30.300 -0.038 0.000 1.177 292 R HN 0.455 nan 8.270 nan 0.000 0.451 293 L N 2.365 123.568 121.223 -0.032 0.000 2.329 293 L HA 0.477 4.831 4.340 0.024 0.000 0.279 293 L C -0.272 176.582 176.870 -0.026 0.000 1.014 293 L CA -1.079 53.743 54.840 -0.030 0.000 0.814 293 L CB 1.750 43.794 42.059 -0.025 0.000 1.257 293 L HN 0.468 nan 8.230 nan 0.000 0.424 294 N N 1.126 119.805 118.700 -0.035 0.000 2.455 294 N HA 0.512 5.267 4.740 0.024 0.000 0.280 294 N C -1.160 174.320 175.510 -0.049 0.000 1.055 294 N CA -0.256 52.770 53.050 -0.039 0.000 0.961 294 N CB 1.949 40.413 38.487 -0.038 0.000 1.121 294 N HN 0.239 nan 8.380 nan 0.000 0.476 295 V N 1.915 121.788 119.914 -0.068 0.000 2.482 295 V HA 0.285 4.419 4.120 0.024 0.000 0.295 295 V C -0.349 175.680 176.094 -0.109 0.000 1.026 295 V CA -0.835 61.395 62.300 -0.118 0.000 0.856 295 V CB 1.564 33.244 31.823 -0.239 0.000 1.001 295 V HN 0.579 nan 8.190 nan 0.000 0.424 296 E N 3.716 123.872 120.200 -0.074 0.000 2.227 296 E HA 0.288 4.652 4.350 0.024 0.000 0.282 296 E C -0.099 176.476 176.600 -0.041 0.000 1.015 296 E CA -0.309 56.065 56.400 -0.043 0.000 0.823 296 E CB 0.872 30.557 29.700 -0.026 0.000 1.081 296 E HN 0.664 nan 8.360 nan 0.000 0.396 297 N N 2.429 121.121 118.700 -0.014 0.000 2.650 297 N HA -0.126 4.628 4.740 0.024 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 0.115 177.407 177.300 -0.014 0.000 1.228 298 P CA 0.059 63.032 63.100 -0.210 0.000 0.786 298 P CB 0.922 32.237 31.700 -0.641 0.000 0.927 299 K N 2.252 122.739 120.400 0.144 0.000 2.312 299 K HA 0.295 4.629 4.320 0.024 0.000 0.287 299 K C 0.047 176.783 176.600 0.228 0.000 1.062 299 K CA -0.381 56.003 56.287 0.161 0.000 0.934 299 K CB 0.250 32.847 32.500 0.161 0.000 1.027 299 K HN 0.436 nan 8.250 nan 0.000 0.478 300 L N 2.755 124.038 121.223 0.100 0.000 2.375 300 L HA 0.304 4.658 4.340 0.024 0.000 0.271 300 L C -0.066 176.870 176.870 0.110 0.000 1.107 300 L CA -0.831 54.069 54.840 0.099 0.000 0.806 300 L CB 0.508 42.459 42.059 -0.181 0.000 1.146 300 L HN 0.599 nan 8.230 nan 0.000 0.447 301 W N 3.349 124.667 121.300 0.029 0.000 2.376 301 W HA 0.488 5.161 4.660 0.023 0.000 0.322 301 W C 0.106 176.578 176.519 -0.079 0.000 1.160 301 W CA 0.173 57.530 57.345 0.020 0.000 1.218 301 W CB 1.336 30.857 29.460 0.101 0.000 1.205 301 W HN 0.613 nan 8.180 nan 0.000 0.559 302 S N 3.009 118.185 115.700 -0.874 0.000 2.636 302 S HA 0.621 5.105 4.470 0.024 0.000 0.268 302 S C -0.017 173.808 174.600 -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 1.051 nan 8.310 nan 0.000 0.471 303 A N 0.369 122.658 122.820 -0.886 0.000 2.067 303 A HA 0.155 4.489 4.320 0.024 0.000 0.217 303 A C 1.681 178.953 177.584 -0.519 0.000 1.156 303 A CA 1.201 52.682 52.037 -0.927 0.000 0.683 303 A CB -0.854 17.458 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 -0.277 0.000 2.112 304 E HA 0.086 4.451 4.350 0.024 0.000 0.190 304 E C -0.369 176.119 176.600 -0.187 0.000 0.979 304 E CA 0.692 57.005 56.400 -0.145 0.000 0.814 304 E CB 0.068 29.812 29.700 0.074 0.000 0.762 304 E HN 0.606 nan 8.360 nan 0.000 0.460 305 I N 1.153 121.565 120.570 -0.264 0.000 2.563 305 I HA 0.139 4.323 4.170 0.024 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 -0.242 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 62.573 63.100 -0.515 0.000 0.908 306 P CB -0.425 31.157 31.700 -0.197 0.000 1.893 307 N N 1.321 120.044 118.700 0.038 0.000 2.411 307 N HA 0.041 4.796 4.740 0.024 0.000 0.265 307 N C 0.082 175.867 175.510 0.459 0.000 1.266 307 N CA 0.697 53.869 53.050 0.204 0.000 0.889 307 N CB 0.441 39.046 38.487 0.197 0.000 1.069 307 N HN 0.279 nan 8.380 nan 0.000 0.476 308 L N 2.510 123.925 121.223 0.320 0.000 2.341 308 L HA 0.496 4.850 4.340 0.024 0.000 0.267 308 L C -0.818 176.225 176.870 0.288 0.000 1.009 308 L CA -0.859 54.206 54.840 0.375 0.000 0.819 308 L CB 1.216 43.432 42.059 0.262 0.000 1.323 308 L HN 0.384 nan 8.230 nan 0.000 0.425 309 Y N 0.288 120.723 120.300 0.225 0.000 2.633 309 Y HA 0.583 5.148 4.550 0.024 0.000 0.339 309 Y C -0.215 175.798 175.900 0.188 0.000 1.045 309 Y CA -1.035 57.199 58.100 0.223 0.000 1.098 309 Y CB 1.710 40.340 38.460 0.283 0.000 1.296 309 Y HN 0.394 nan 8.280 nan 0.000 0.494 310 R N 0.983 121.719 120.500 0.395 0.000 2.445 310 R HA 0.852 5.207 4.340 0.024 0.000 0.308 310 R C -1.510 174.991 176.300 0.335 0.000 0.961 310 R CA -0.596 55.676 56.100 0.286 0.000 0.862 310 R CB 1.037 31.434 30.300 0.162 0.000 1.144 310 R HN 0.801 nan 8.270 nan 0.000 0.447 311 A N 3.955 126.912 122.820 0.229 0.000 2.318 311 A HA 0.579 4.913 4.320 0.024 0.000 0.317 311 A C -1.143 176.511 177.584 0.117 0.000 1.159 311 A CA -0.648 51.507 52.037 0.197 0.000 0.799 311 A CB 1.476 20.564 19.000 0.147 0.000 1.194 311 A HN 0.474 nan 8.150 nan 0.000 0.479 312 V N 2.891 122.884 119.914 0.132 0.000 2.495 312 V HA 0.478 4.613 4.120 0.024 0.000 0.298 312 V C -0.400 175.685 176.094 -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 0.614 nan 8.190 nan 0.000 0.432 313 V N 4.299 124.139 119.914 -0.123 0.000 2.350 313 V HA 0.445 4.580 4.120 0.024 0.000 0.285 313 V C -0.164 175.872 176.094 -0.096 0.000 1.014 313 V CA -0.544 61.655 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 3.448 123.641 120.200 -0.012 0.000 2.166 314 E HA 0.551 4.915 4.350 0.024 0.000 0.275 314 E C -1.040 175.607 176.600 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 32.281 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 4.669 4.340 0.024 0.000 0.284 315 L C -0.891 176.034 176.870 0.092 0.000 1.028 315 L CA -0.071 54.785 54.840 0.026 0.000 0.835 315 L CB 0.138 42.213 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 0.691 5.261 4.556 0.024 0.000 0.344 316 H C -0.840 174.555 175.328 0.111 0.000 1.235 316 H CA -0.361 55.726 56.048 0.065 0.000 1.149 316 H CB 1.022 30.807 29.762 0.038 0.000 1.885 316 H HN 0.493 nan 8.280 nan 0.000 0.558 317 T N -2.999 111.729 114.554 0.290 0.000 2.862 317 T HA 0.522 4.887 4.350 0.024 0.000 0.276 317 T C 1.369 176.258 174.700 0.315 0.000 0.974 317 T CA -0.253 62.020 62.100 0.288 0.000 0.966 317 T CB 1.223 70.207 68.868 0.194 0.000 1.072 317 T HN 0.760 nan 8.240 nan 0.000 0.538 318 A N 0.525 123.490 122.820 0.243 0.000 2.066 318 A HA -0.002 4.333 4.320 0.024 0.000 0.218 318 A C 1.857 179.521 177.584 0.134 0.000 1.157 318 A CA 1.169 53.325 52.037 0.198 0.000 0.670 318 A CB -0.862 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 -1.510 118.940 120.400 0.084 0.000 2.352 319 D HA 0.169 4.823 4.640 0.024 0.000 0.232 319 D C 1.131 177.446 176.300 0.025 0.000 1.055 319 D CA 0.902 54.922 54.000 0.032 0.000 0.891 319 D CB -0.312 40.482 40.800 -0.010 0.000 0.897 319 D HN 0.664 nan 8.370 nan 0.000 0.529 320 G N 0.427 109.258 108.800 0.051 0.000 2.175 320 G HA2 -0.247 3.727 3.960 0.024 0.000 0.244 320 G HA3 -0.247 3.727 3.960 0.024 0.000 0.244 320 G C 0.362 175.251 174.900 -0.018 0.000 0.982 320 G CA 0.197 45.276 45.100 -0.035 0.000 0.641 320 G HN 0.401 nan 8.290 nan 0.000 0.527 321 T N 1.932 116.514 114.554 0.047 0.000 2.794 321 T HA 0.493 4.857 4.350 0.024 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 1.656 70.543 68.868 0.032 0.000 0.905 321 T HN 0.289 nan 8.240 nan 0.000 0.516 322 L N 4.602 125.871 121.223 0.076 0.000 2.313 322 L HA 0.227 4.582 4.340 0.024 0.000 0.282 322 L C 0.706 177.629 176.870 0.089 0.000 1.092 322 L CA -0.212 54.688 54.840 0.100 0.000 0.831 322 L CB 0.660 42.755 42.059 0.059 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 4.178 4.170 0.024 0.000 0.245 323 I C 0.800 176.937 176.117 0.034 0.000 1.096 323 I CA 0.825 62.162 61.300 0.062 0.000 1.408 323 I CB 0.189 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 -0.429 119.793 120.200 0.037 0.000 2.398 324 E HA 0.618 4.983 4.350 0.024 0.000 0.280 324 E C -1.837 174.781 176.600 0.030 0.000 1.122 324 E CA -0.946 55.467 56.400 0.021 0.000 0.873 324 E CB 0.968 30.642 29.700 -0.043 0.000 1.294 324 E HN -0.067 nan 8.360 nan 0.000 0.435 325 A N 1.708 124.570 122.820 0.071 0.000 2.475 325 A HA 0.730 5.065 4.320 0.024 0.000 0.301 325 A C -1.062 176.626 177.584 0.173 0.000 1.059 325 A CA -0.684 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 -0.310 119.919 120.200 0.047 0.000 2.392 326 E HA 0.792 5.157 4.350 0.024 0.000 0.269 326 E C -0.607 176.009 176.600 0.026 0.000 0.924 326 E CA -0.681 55.807 56.400 0.148 0.000 0.784 326 E CB 2.508 32.220 29.700 0.020 0.000 1.292 326 E HN 1.098 nan 8.360 nan 0.000 0.447 327 A N 0.125 123.096 122.820 0.252 0.000 2.602 327 A HA 0.794 5.128 4.320 0.024 0.000 0.290 327 A C -1.085 176.698 177.584 0.332 0.000 1.114 327 A CA -0.462 51.654 52.037 0.133 0.000 0.683 327 A CB 1.116 20.075 19.000 -0.068 0.000 1.281 327 A HN 0.877 nan 8.150 nan 0.000 0.416 328 C N -0.564 118.890 119.300 0.256 0.000 3.311 328 C HA 0.786 5.260 4.460 0.024 0.000 0.325 328 C C -1.469 173.622 174.990 0.169 0.000 1.352 328 C CA -0.930 58.236 59.018 0.246 0.000 1.308 328 C CB 1.027 28.941 27.740 0.289 0.000 1.619 328 C HN 0.816 nan 8.230 nan 0.000 0.469 329 D N 0.977 121.459 120.400 0.137 0.000 2.302 329 D HA 0.569 5.223 4.640 0.024 0.000 0.248 329 D C -0.353 176.004 176.300 0.095 0.000 1.094 329 D CA 0.149 54.231 54.000 0.137 0.000 0.897 329 D CB 1.904 42.789 40.800 0.140 0.000 1.200 329 D HN 0.552 nan 8.370 nan 0.000 0.429 330 V N 0.722 120.717 119.914 0.135 0.000 2.604 330 V HA 0.710 4.844 4.120 0.024 0.000 0.305 330 V C 0.458 176.607 176.094 0.092 0.000 1.043 330 V CA -0.759 61.562 62.300 0.036 0.000 0.888 330 V CB 2.150 33.976 31.823 0.006 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 4.608 3.960 0.024 0.000 0.308 331 G HA3 0.634 4.608 3.960 0.024 0.000 0.308 331 G C -1.267 173.640 174.900 0.012 0.000 1.369 331 G CA -0.404 44.710 45.100 0.024 0.000 0.958 331 G HN 0.405 nan 8.290 nan 0.000 0.499 332 F N 2.330 122.423 119.950 0.239 0.000 2.413 332 F HA 0.550 5.091 4.527 0.023 0.000 0.359 332 F C 0.917 176.924 175.800 0.344 0.000 1.122 332 F CA -0.209 57.995 58.000 0.339 0.000 1.160 332 F CB 1.082 40.294 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 0.451 0.000 2.629 333 R HA 0.475 4.829 4.340 0.024 0.000 0.266 333 R C -1.669 174.807 176.300 0.292 0.000 1.051 333 R CA -1.062 55.168 56.100 0.218 0.000 0.895 333 R CB 1.450 31.887 30.300 0.229 0.000 1.246 333 R HN 0.444 nan 8.270 nan 0.000 0.459 334 E N 1.789 122.073 120.200 0.140 0.000 2.187 334 E HA 0.493 4.858 4.350 0.024 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 2.019 31.928 29.700 0.348 0.000 1.142 334 E HN 0.437 nan 8.360 nan 0.000 0.408 335 V N 4.976 124.958 119.914 0.114 0.000 2.409 335 V HA 0.590 4.725 4.120 0.024 0.000 0.291 335 V C -0.246 175.887 176.094 0.065 0.000 1.020 335 V CA -0.677 61.660 62.300 0.061 0.000 0.848 335 V CB 1.365 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 3.831 124.365 120.500 0.057 0.000 2.643 336 R HA 0.636 4.991 4.340 0.024 0.000 0.269 336 R C -1.477 174.846 176.300 0.039 0.000 1.037 336 R CA -0.729 55.405 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 0.254 4.439 4.170 0.024 0.000 0.290 337 I C -0.332 175.804 176.117 0.032 0.000 1.008 337 I CA -0.165 61.152 61.300 0.028 0.000 1.226 337 I CB 1.512 39.529 38.000 0.029 0.000 1.371 337 I HN 0.606 nan 8.210 nan 0.000 0.468 338 E N 6.832 127.048 120.200 0.028 0.000 2.265 338 E HA 0.232 4.596 4.350 0.024 0.000 0.262 338 E C -0.225 176.388 176.600 0.022 0.000 0.889 338 E CA -0.547 55.871 56.400 0.030 0.000 0.789 338 E CB 0.940 30.663 29.700 0.038 0.000 1.221 338 E HN 0.555 nan 8.360 nan 0.000 0.414 339 N N 3.580 122.292 118.700 0.020 0.000 2.754 339 N HA -0.212 4.542 4.740 0.024 0.000 0.248 339 N C 0.552 176.068 175.510 0.010 0.000 1.093 339 N CA 2.133 55.192 53.050 0.015 0.000 0.699 339 N CB -1.231 37.265 38.487 0.015 0.000 1.016 339 N HN 1.095 nan 8.380 nan 0.000 0.552 340 G N -2.222 106.584 108.800 0.009 0.000 2.199 340 G HA2 -0.287 3.688 3.960 0.024 0.000 0.254 340 G HA3 -0.287 3.688 3.960 0.024 0.000 0.254 340 G C -0.021 174.874 174.900 -0.008 0.000 0.982 340 G CA 0.509 45.610 45.100 0.002 0.000 0.632 340 G HN 0.470 nan 8.290 nan 0.000 0.529 341 L N 0.158 121.378 121.223 -0.005 0.000 2.334 341 L HA 0.756 5.110 4.340 0.024 0.000 0.273 341 L C 0.105 176.968 176.870 -0.012 0.000 1.013 341 L CA -1.301 53.530 54.840 -0.015 0.000 0.816 341 L CB 1.810 43.861 42.059 -0.014 0.000 1.278 341 L HN 0.108 nan 8.230 nan 0.000 0.431 342 L N 3.858 125.063 121.223 -0.030 0.000 2.260 342 L HA 0.480 4.835 4.340 0.024 0.000 0.289 342 L C -0.855 175.999 176.870 -0.028 0.000 1.057 342 L CA 0.298 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 5.718 126.940 121.223 -0.001 0.000 2.346 343 L HA 0.570 4.925 4.340 0.024 0.000 0.274 343 L C -0.940 175.944 176.870 0.024 0.000 1.007 343 L CA -0.882 53.969 54.840 0.017 0.000 0.818 343 L CB 1.973 44.064 42.059 0.054 0.000 1.284 343 L HN 0.519 nan 8.230 nan 0.000 0.424 344 L N 3.484 124.733 121.223 0.043 0.000 2.349 344 L HA 0.499 4.854 4.340 0.024 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 0.059 0.000 0.825 344 L CB 1.055 43.159 42.059 0.075 0.000 1.243 344 L HN 0.572 nan 8.230 nan 0.000 0.412 345 N N 4.352 122.993 118.700 -0.098 0.000 2.714 345 N HA -0.229 4.526 4.740 0.024 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 -1.193 36.809 38.487 -0.809 0.000 0.924 345 N HN 1.203 nan 8.380 nan 0.000 0.540 346 G N -1.891 106.943 108.800 0.056 0.000 2.234 346 G HA2 -0.367 3.608 3.960 0.024 0.000 0.260 346 G HA3 -0.367 3.608 3.960 0.024 0.000 0.260 346 G C 0.059 175.023 174.900 0.107 0.000 0.987 346 G CA 1.032 46.231 45.100 0.166 0.000 0.625 346 G HN 0.541 nan 8.290 nan 0.000 0.532 347 K N 0.681 121.139 120.400 0.096 0.000 2.238 347 K HA 0.599 4.933 4.320 0.024 0.000 0.239 347 K C -3.090 173.511 176.600 0.002 0.000 0.987 347 K CA -2.029 54.273 56.287 0.025 0.000 0.857 347 K CB 2.625 35.082 32.500 -0.071 0.000 1.154 347 K HN 0.050 nan 8.250 nan 0.000 0.439 348 P HA 0.314 nan 4.420 nan 0.000 0.297 348 P C -0.229 177.025 177.300 -0.077 0.000 1.319 348 P CA -0.465 62.606 63.100 -0.048 0.000 0.810 348 P CB 0.689 32.361 31.700 -0.047 0.000 0.947 349 L N 3.178 124.351 121.223 -0.083 0.000 2.464 349 L HA 0.265 4.619 4.340 0.024 0.000 0.264 349 L C 0.501 177.309 176.870 -0.104 0.000 1.199 349 L CA -0.424 54.357 54.840 -0.099 0.000 0.818 349 L CB 0.262 42.227 42.059 -0.156 0.000 1.102 349 L HN 0.256 nan 8.230 nan 0.000 0.473 350 L N 3.465 124.642 121.223 -0.077 0.000 2.427 350 L HA 0.404 4.759 4.340 0.024 0.000 0.264 350 L C -0.539 176.301 176.870 -0.050 0.000 0.989 350 L CA -0.322 54.463 54.840 -0.091 0.000 0.865 350 L CB 0.891 42.934 42.059 -0.028 0.000 1.209 350 L HN 0.215 nan 8.230 nan 0.000 0.430 351 I N 4.627 125.110 120.570 -0.145 0.000 2.436 351 I HA 0.181 4.366 4.170 0.024 0.000 0.289 351 I C 0.593 176.678 176.117 -0.053 0.000 1.083 351 I CA 0.240 61.464 61.300 -0.126 0.000 1.372 351 I CB 0.338 38.151 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 4.916 4.340 0.024 0.000 0.292 352 R C 0.398 176.804 176.300 0.177 0.000 1.192 352 R CA -0.278 55.899 56.100 0.128 0.000 1.257 352 R CB 1.109 31.332 30.300 -0.127 0.000 1.130 352 R HN 0.813 nan 8.270 nan 0.000 0.558 353 G N 0.153 109.027 108.800 0.123 0.000 2.816 353 G HA2 0.666 4.640 3.960 0.024 0.000 0.288 353 G HA3 0.666 4.640 3.960 0.024 0.000 0.288 353 G C -1.528 173.621 174.900 0.415 0.000 1.334 353 G CA -0.552 44.633 45.100 0.140 0.000 0.978 353 G HN 0.266 nan 8.290 nan 0.000 0.493 354 V N -0.465 119.677 119.914 0.380 0.000 3.087 354 V HA 0.548 4.683 4.120 0.024 0.000 0.306 354 V C -1.363 174.880 176.094 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 4.002 122.770 118.700 0.114 0.000 2.479 355 N HA 0.477 5.231 4.740 0.024 0.000 0.285 355 N C -0.860 174.478 175.510 -0.286 0.000 1.075 355 N CA -0.365 52.627 53.050 -0.095 0.000 0.967 355 N CB 1.660 40.062 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 4.657 4.340 0.024 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 1.149 120.078 119.070 -0.235 0.000 2.496 357 H HA 0.197 4.767 4.556 0.024 0.000 0.342 357 H C -0.499 174.816 175.328 -0.022 0.000 1.170 357 H CA -0.264 55.722 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 1.714 122.095 120.200 0.301 0.000 1.941 358 E HA 0.088 4.453 4.350 0.024 0.000 0.275 358 E C -1.007 175.737 176.600 0.241 0.000 1.113 358 E CA -0.037 56.467 56.400 0.174 0.000 0.878 358 E CB 0.197 30.009 29.700 0.186 0.000 1.070 358 E HN 0.402 nan 8.360 nan 0.000 0.399 359 H N 1.629 120.753 119.070 0.089 0.000 2.856 359 H HA 0.243 4.813 4.556 0.024 0.000 0.355 359 H C -1.583 173.783 175.328 0.064 0.000 1.079 359 H CA -0.687 55.408 56.048 0.079 0.000 1.240 359 H CB 0.985 30.779 29.762 0.055 0.000 1.701 359 H HN 0.363 nan 8.280 nan 0.000 0.527 360 H N 6.565 125.337 119.070 -0.496 0.000 2.744 360 H HA 0.203 4.773 4.556 0.024 0.000 0.339 360 H C -2.247 172.684 175.328 -0.661 0.000 1.004 360 H CA -2.470 53.340 56.048 -0.396 0.000 1.257 360 H CB 2.458 32.136 29.762 -0.141 0.000 1.552 360 H HN 0.556 nan 8.280 nan 0.000 0.522 361 P HA -0.114 nan 4.420 nan 0.000 0.218 361 P C 1.316 178.514 177.300 -0.169 0.000 1.148 361 P CA 0.879 63.802 63.100 -0.295 0.000 0.822 361 P CB 0.799 32.373 31.700 -0.209 0.000 0.784 362 L N -1.831 119.414 121.223 0.036 0.000 2.200 362 L HA 0.064 4.419 4.340 0.024 0.000 0.200 362 L C 2.354 179.076 176.870 -0.248 0.000 1.072 362 L CA 0.901 55.637 54.840 -0.172 0.000 0.787 362 L CB -0.762 41.072 42.059 -0.376 0.000 0.957 362 L HN -0.009 nan 8.230 nan 0.000 0.459 363 H N -0.686 118.324 119.070 -0.100 0.000 2.539 363 H HA 0.205 4.775 4.556 0.024 0.000 0.269 363 H C 1.449 176.675 175.328 -0.170 0.000 0.980 363 H CA 0.112 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 1.561 110.294 108.800 -0.112 0.000 2.574 364 G HA2 -0.400 3.574 3.960 0.024 0.000 0.301 364 G HA3 -0.400 3.574 3.960 0.024 0.000 0.301 364 G C 0.573 175.402 174.900 -0.119 0.000 1.166 364 G CA 0.415 45.394 45.100 -0.202 0.000 0.971 364 G HN 0.480 nan 8.290 nan 0.000 0.542 365 Q N -0.008 119.742 119.800 -0.083 0.000 2.189 365 Q HA 0.513 4.868 4.340 0.024 0.000 0.221 365 Q C 0.005 176.081 176.000 0.127 0.000 0.848 365 Q CA -0.212 55.581 55.803 -0.017 0.000 1.007 365 Q CB 1.389 30.028 28.738 -0.164 0.000 1.116 365 Q HN 0.356 nan 8.270 nan 0.000 0.481 366 V N 1.893 121.873 119.914 0.110 0.000 2.432 366 V HA 0.247 4.381 4.120 0.024 0.000 0.275 366 V C 0.077 176.220 176.094 0.082 0.000 1.043 366 V CA -0.188 62.184 62.300 0.121 0.000 0.925 366 V CB 1.072 32.895 31.823 -0.000 0.000 0.985 366 V HN 0.362 nan 8.190 nan 0.000 0.466 367 M N 4.589 124.242 119.600 0.088 0.000 2.478 367 M HA 0.496 4.990 4.480 0.024 0.000 0.327 367 M C -0.416 175.835 176.300 -0.081 0.000 1.187 367 M CA -0.710 54.597 55.300 0.013 0.000 1.022 367 M CB 1.473 34.050 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 4.920 4.640 0.024 0.000 0.231 368 D C 0.380 176.665 176.300 -0.025 0.000 1.099 368 D CA -0.706 53.260 54.000 -0.057 0.000 0.901 368 D CB 1.425 42.220 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 4.061 4.350 0.024 0.000 0.194 369 E C 1.344 177.989 176.600 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 4.212 4.340 0.024 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 27.778 28.738 0.096 0.000 0.904 370 Q HN 0.326 nan 8.270 nan 0.000 0.420 371 T N 1.773 116.403 114.554 0.126 0.000 2.684 371 T HA -0.130 4.234 4.350 0.024 0.000 0.267 371 T C 2.043 176.828 174.700 0.142 0.000 1.036 371 T CA 1.538 63.724 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 4.373 4.480 0.024 0.000 0.259 372 M C 2.493 178.920 176.300 0.211 0.000 1.069 372 M CA 1.465 56.929 55.300 0.272 0.000 1.110 372 M CB -0.771 32.027 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 -0.298 3.837 4.120 0.024 0.000 0.247 373 V C 2.327 178.406 176.094 -0.025 0.000 1.051 373 V CA 1.944 64.226 62.300 -0.029 0.000 1.036 373 V CB -0.913 30.916 31.823 0.011 0.000 0.654 373 V HN 0.544 nan 8.190 nan 0.000 0.451 374 Q N -0.216 119.621 119.800 0.063 0.000 2.030 374 Q HA -0.280 4.074 4.340 0.024 0.000 0.204 374 Q C 2.126 178.199 176.000 0.121 0.000 0.986 374 Q CA 2.255 58.112 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 4.448 4.640 0.024 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 0.527 121.051 120.570 -0.078 0.000 2.127 376 I HA -0.276 3.908 4.170 0.024 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 -0.249 37.482 38.000 -0.449 0.000 1.040 376 I HN 0.012 nan 8.210 nan 0.000 0.405 377 L N 0.005 121.140 121.223 -0.147 0.000 2.083 377 L HA -0.223 4.131 4.340 0.024 0.000 0.209 377 L C 2.536 179.479 176.870 0.122 0.000 1.083 377 L CA 1.220 56.065 54.840 0.008 0.000 0.752 377 L CB -0.632 41.457 42.059 0.049 0.000 0.899 377 L HN 0.295 nan 8.230 nan 0.000 0.433 378 L N -0.862 120.455 121.223 0.156 0.000 2.083 378 L HA -0.227 4.128 4.340 0.024 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 -0.709 118.909 119.600 0.030 0.000 2.077 379 M HA -0.209 4.285 4.480 0.024 0.000 0.261 379 M C 2.292 178.677 176.300 0.143 0.000 1.070 379 M CA 1.729 56.993 55.300 -0.059 0.000 1.125 379 M CB -0.436 31.891 32.600 -0.454 0.000 1.339 379 M HN 0.090 nan 8.290 nan 0.000 0.409 380 K N 0.286 120.657 120.400 -0.049 0.000 2.103 380 K HA -0.191 4.144 4.320 0.024 0.000 0.207 380 K C 1.945 178.513 176.600 -0.054 0.000 1.048 380 K CA 1.377 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 0.256 120.210 119.800 0.256 0.000 2.224 381 Q HA -0.030 4.324 4.340 0.024 0.000 0.203 381 Q C 1.042 177.342 176.000 0.500 0.000 0.970 381 Q CA 0.702 56.793 55.803 0.480 0.000 0.865 381 Q CB 0.139 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 0.717 119.657 118.700 0.399 0.000 2.295 382 N HA 0.031 4.785 4.740 0.024 0.000 0.221 382 N C -0.586 175.006 175.510 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 39.356 38.487 0.466 0.000 1.040 382 N HN 0.201 nan 8.380 nan 0.000 0.494 383 N N -0.244 118.534 118.700 0.129 0.000 2.882 383 N HA -0.169 4.586 4.740 0.024 0.000 0.249 383 N C -0.906 174.431 175.510 -0.287 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 0.862 120.806 119.950 -0.009 0.000 2.385 384 F HA 0.323 4.864 4.527 0.023 0.000 0.336 384 F C 1.819 177.597 175.800 -0.036 0.000 1.100 384 F CA -0.386 57.597 58.000 -0.029 0.000 1.116 384 F CB 0.944 39.903 39.000 -0.068 0.000 1.166 384 F HN -0.106 nan 8.300 nan 0.000 0.511 385 N N 0.616 119.427 118.700 0.185 0.000 2.463 385 N HA 0.399 5.153 4.740 0.024 0.000 0.183 385 N C -0.561 174.994 175.510 0.075 0.000 1.064 385 N CA 0.005 53.115 53.050 0.100 0.000 0.879 385 N CB 0.511 39.149 38.487 0.253 0.000 1.148 385 N HN 0.602 nan 8.380 nan 0.000 0.451 386 A N 0.328 123.268 122.820 0.201 0.000 2.587 386 A HA 0.644 4.978 4.320 0.024 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 4.920 4.120 0.024 0.000 0.311 387 V C -0.567 175.686 176.094 0.265 0.000 1.104 387 V CA -0.786 61.712 62.300 0.330 0.000 0.954 387 V CB 1.895 33.824 31.823 0.177 0.000 1.022 387 V HN 1.055 nan 8.190 nan 0.000 0.427 388 R N 4.633 125.146 120.500 0.021 0.000 2.338 388 R HA 0.457 4.811 4.340 0.024 0.000 0.317 388 R C -0.713 175.460 176.300 -0.211 0.000 0.968 388 R CA -0.521 55.410 56.100 -0.281 0.000 0.849 388 R CB 1.045 30.944 30.300 -0.670 0.000 1.128 388 R HN 0.831 nan 8.270 nan 0.000 0.448 389 C N 4.195 123.394 119.300 -0.168 0.000 3.183 389 C HA 0.104 4.578 4.460 0.024 0.000 0.545 389 C C 0.594 175.296 174.990 -0.480 0.000 1.044 389 C CA -0.556 58.300 59.018 -0.270 0.000 1.117 389 C CB -2.180 25.501 27.740 -0.098 0.000 1.393 389 C HN 0.706 nan 8.230 nan 0.000 0.611 390 S N 1.298 116.609 115.700 -0.648 0.000 2.466 390 S HA 0.120 4.604 4.470 0.024 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 3.484 121.911 119.070 -1.072 0.000 2.712 391 H HA 0.303 4.873 4.556 0.024 0.000 0.226 391 H C -1.069 174.116 175.328 -0.238 0.000 1.422 391 H CA -0.379 55.433 56.048 -0.393 0.000 1.270 391 H CB -0.158 29.593 29.762 -0.018 0.000 1.891 391 H HN 0.891 nan 8.280 nan 0.000 0.518 392 Y N -2.961 117.431 120.300 0.152 0.000 2.810 392 Y HA 0.429 4.994 4.550 0.025 0.000 0.355 392 Y C -3.350 172.646 175.900 0.159 0.000 1.211 392 Y CA -3.094 55.104 58.100 0.164 0.000 1.112 392 Y CB -0.027 38.534 38.460 0.168 0.000 1.383 392 Y HN -0.129 nan 8.280 nan 0.000 0.458 393 P HA 0.191 nan 4.420 nan 0.000 0.268 393 P C -0.707 176.882 177.300 0.480 0.000 1.205 393 P CA 0.177 63.521 63.100 0.407 0.000 0.771 393 P CB 0.606 32.479 31.700 0.288 0.000 0.858 394 N N 0.283 119.270 118.700 0.478 0.000 2.491 394 N HA 0.118 4.873 4.740 0.024 0.000 0.279 394 N C -0.030 175.717 175.510 0.396 0.000 1.236 394 N CA -0.645 52.611 53.050 0.343 0.000 0.982 394 N CB 0.415 38.911 38.487 0.015 0.000 1.194 394 N HN 0.583 nan 8.380 nan 0.000 0.582 395 H N 2.001 121.184 119.070 0.188 0.000 3.070 395 H HA 0.015 4.586 4.556 0.024 0.000 0.313 395 H C -1.694 173.817 175.328 0.304 0.000 0.997 395 H CA -0.950 55.205 56.048 0.178 0.000 1.438 395 H CB 1.000 30.825 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 1.820 179.453 177.300 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 -1.296 120.318 121.223 0.652 0.000 2.131 397 L HA -0.076 4.278 4.340 0.024 0.000 0.210 397 L C 2.356 179.411 176.870 0.308 0.000 1.092 397 L CA 1.446 56.542 54.840 0.427 0.000 0.759 397 L CB -1.399 40.870 42.059 0.351 0.000 0.903 397 L HN 0.062 nan 8.230 nan 0.000 0.435 398 W N -0.345 120.997 121.300 0.070 0.000 2.302 398 W HA -0.382 4.292 4.660 0.023 0.000 0.320 398 W C 2.218 178.559 176.519 -0.296 0.000 1.241 398 W CA 2.253 59.479 57.345 -0.198 0.000 1.264 398 W CB -0.483 28.748 29.460 -0.382 0.000 1.154 398 W HN 0.277 nan 8.180 nan 0.000 0.483 399 Y N 0.527 120.755 120.300 -0.121 0.000 2.224 399 Y HA -0.228 4.336 4.550 0.023 0.000 0.289 399 Y C 2.856 178.478 175.900 -0.464 0.000 1.146 399 Y CA 2.102 59.897 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 0.804 115.326 114.554 -0.054 0.000 2.708 400 T HA -0.169 4.195 4.350 0.024 0.000 0.266 400 T C 2.030 176.757 174.700 0.046 0.000 1.037 400 T CA 1.516 63.679 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 0.411 121.630 121.223 -0.007 0.000 2.012 401 L HA -0.154 4.200 4.340 0.024 0.000 0.210 401 L C 2.943 179.809 176.870 -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 -0.175 118.948 119.300 -0.294 0.000 2.425 402 C HA -0.157 4.318 4.460 0.024 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 0.383 120.823 120.400 0.067 0.000 2.123 403 D HA -0.108 4.547 4.640 0.024 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 0.194 0.000 0.833 403 D CB -0.319 40.552 40.800 0.119 0.000 0.954 403 D HN 0.542 nan 8.370 nan 0.000 0.455 404 R N -1.014 119.589 120.500 0.170 0.000 2.080 404 R HA 0.001 4.355 4.340 0.024 0.000 0.222 404 R C 2.152 178.399 176.300 -0.088 0.000 1.107 404 R CA 0.609 56.734 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 -0.132 120.174 120.300 0.010 0.000 2.475 405 Y HA 0.168 4.732 4.550 0.023 0.000 0.289 405 Y C 0.991 176.809 175.900 -0.136 0.000 1.121 405 Y CA 0.798 58.873 58.100 -0.042 0.000 1.257 405 Y CB 0.723 39.127 38.460 -0.094 0.000 1.026 405 Y HN 0.269 nan 8.280 nan 0.000 0.555 406 G N 1.159 109.977 108.800 0.030 0.000 3.026 406 G HA2 -0.164 3.810 3.960 0.024 0.000 0.252 406 G HA3 -0.164 3.810 3.960 0.024 0.000 0.252 406 G C -1.043 173.678 174.900 -0.297 0.000 1.070 406 G CA -0.531 44.443 45.100 -0.210 0.000 1.183 406 G HN 0.162 nan 8.290 nan 0.000 0.571 407 L N 0.474 121.601 121.223 -0.160 0.000 2.422 407 L HA 0.528 4.883 4.340 0.024 0.000 0.264 407 L C 0.092 176.919 176.870 -0.072 0.000 0.984 407 L CA -1.391 53.307 54.840 -0.237 0.000 0.819 407 L CB 1.953 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 1.842 122.253 120.300 0.185 0.000 2.359 408 Y HA 0.341 4.907 4.550 0.027 0.000 0.330 408 Y C 0.192 176.199 175.900 0.178 0.000 1.143 408 Y CA -0.640 57.600 58.100 0.232 0.000 1.318 408 Y CB 1.152 39.736 38.460 0.208 0.000 1.234 408 Y HN 0.143 nan 8.280 nan 0.000 0.522 409 V N 4.350 124.440 119.914 0.294 0.000 2.604 409 V HA 0.294 4.428 4.120 0.024 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 1.881 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 3.391 123.364 119.914 0.099 0.000 2.318 410 V HA 0.293 4.428 4.120 0.024 0.000 0.271 410 V C -0.206 175.922 176.094 0.056 0.000 1.030 410 V CA -0.310 61.998 62.300 0.012 0.000 0.844 410 V CB 1.319 33.066 31.823 -0.127 0.000 1.015 410 V HN 0.884 nan 8.190 nan 0.000 0.460 411 D N 4.223 124.684 120.400 0.102 0.000 2.277 411 D HA 0.304 4.958 4.640 0.024 0.000 0.249 411 D C -0.173 176.296 176.300 0.281 0.000 1.134 411 D CA 0.042 54.193 54.000 0.251 0.000 0.863 411 D CB 1.171 42.155 40.800 0.306 0.000 1.143 411 D HN 0.665 nan 8.370 nan 0.000 0.458 412 E N 1.655 121.992 120.200 0.228 0.000 2.210 412 E HA 0.619 4.983 4.350 0.024 0.000 0.266 412 E C -1.037 175.689 176.600 0.211 0.000 0.883 412 E CA -1.088 55.433 56.400 0.202 0.000 0.761 412 E CB 1.400 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 4.394 4.320 0.024 0.000 0.242 413 A C 0.323 178.028 177.584 0.201 0.000 1.075 413 A CA -0.219 51.920 52.037 0.169 0.000 0.777 413 A CB 0.164 19.230 19.000 0.110 0.000 1.013 413 A HN 0.672 nan 8.150 nan 0.000 0.493 414 N N 1.144 119.970 118.700 0.210 0.000 3.050 414 N HA 0.263 5.017 4.740 0.024 0.000 0.289 414 N C -1.067 174.567 175.510 0.207 0.000 1.209 414 N CA 0.215 53.424 53.050 0.265 0.000 1.154 414 N CB -0.861 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 0.894 121.579 120.570 0.192 0.000 2.503 415 I HA 0.248 4.432 4.170 0.024 0.000 0.282 415 I C -0.585 175.623 176.117 0.152 0.000 1.059 415 I CA -0.547 60.846 61.300 0.155 0.000 1.081 415 I CB 1.723 39.785 38.000 0.104 0.000 1.210 415 I HN 0.211 nan 8.210 nan 0.000 0.450 416 E N 4.422 124.711 120.200 0.149 0.000 2.281 416 E HA 0.315 4.679 4.350 0.024 0.000 0.266 416 E C -0.465 176.194 176.600 0.099 0.000 0.893 416 E CA -0.414 56.049 56.400 0.105 0.000 0.798 416 E CB 1.561 31.305 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 4.505 4.350 0.024 0.000 0.270 417 T C 0.984 175.737 174.700 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 1.284 120.284 119.070 -0.116 0.000 2.362 418 H HA -0.119 4.452 4.556 0.025 0.000 0.294 418 H C 2.257 177.481 175.328 -0.173 0.000 1.113 418 H CA 1.492 57.441 56.048 -0.164 0.000 1.253 418 H CB -0.250 29.372 29.762 -0.234 0.000 1.363 418 H HN 0.587 nan 8.280 nan 0.000 0.494 419 G N 0.036 108.753 108.800 -0.139 0.000 2.776 419 G HA2 -0.009 3.966 3.960 0.024 0.000 0.209 419 G HA3 -0.009 3.966 3.960 0.024 0.000 0.209 419 G C 0.322 175.384 174.900 0.269 0.000 1.145 419 G CA -0.106 44.955 45.100 -0.064 0.000 0.791 419 G HN 0.161 nan 8.290 nan 0.000 0.530 420 M N 0.293 120.040 119.600 0.245 0.000 2.283 420 M HA 0.404 4.898 4.480 0.024 0.000 0.314 420 M C -0.507 175.821 176.300 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 3.058 122.977 119.914 0.008 0.000 2.483 421 V HA 0.402 4.537 4.120 0.024 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 1.067 178.360 177.300 -0.011 0.000 1.293 422 P CA -0.499 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 -0.289 119.309 119.600 -0.003 0.000 2.149 423 M HA -0.189 4.305 4.480 0.024 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 -0.263 118.446 118.700 0.016 0.000 2.205 424 N HA -0.249 4.505 4.740 0.024 0.000 0.186 424 N C 1.662 177.139 175.510 -0.056 0.000 1.015 424 N CA 0.963 54.018 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 4.138 4.340 0.024 0.000 0.252 425 R C 1.910 178.086 176.300 -0.206 0.000 1.134 425 R CA 1.716 57.744 56.100 -0.120 0.000 0.954 425 R CB -0.270 29.959 30.300 -0.119 0.000 0.890 425 R HN 0.275 nan 8.270 nan 0.000 0.443 426 L N -1.104 119.932 121.223 -0.312 0.000 2.202 426 L HA -0.000 4.354 4.340 0.024 0.000 0.205 426 L C 2.461 179.154 176.870 -0.296 0.000 1.083 426 L CA 1.284 55.798 54.840 -0.543 0.000 0.790 426 L CB -0.490 41.008 42.059 -0.934 0.000 0.942 426 L HN 0.438 nan 8.230 nan 0.000 0.452 427 T N -4.396 110.032 114.554 -0.210 0.000 3.051 427 T HA -0.155 4.210 4.350 0.024 0.000 0.269 427 T C 1.249 175.847 174.700 -0.170 0.000 1.127 427 T CA 1.127 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 4.769 4.640 0.024 0.000 0.214 428 D C -0.250 176.024 176.300 -0.043 0.000 1.063 428 D CA -0.161 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 -0.215 120.176 120.400 -0.016 0.000 2.329 429 D HA 0.135 4.790 4.640 0.024 0.000 0.232 429 D C -1.705 174.663 176.300 0.113 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 1.130 64.243 63.100 0.021 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 4.262 4.340 0.024 0.000 0.224 431 R C 1.542 177.670 176.300 -0.287 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 0.194 121.438 121.300 -0.093 0.000 3.278 432 W HA 0.151 4.824 4.660 0.023 0.000 0.308 432 W C 1.604 178.063 176.519 -0.101 0.000 1.253 432 W CA -0.655 56.634 57.345 -0.093 0.000 1.759 432 W CB -0.121 29.282 29.460 -0.095 0.000 1.093 432 W HN -0.018 nan 8.180 nan 0.000 0.648 433 L N 2.497 123.752 121.223 0.054 0.000 2.013 433 L HA -0.114 4.240 4.340 0.024 0.000 0.212 433 L C -0.650 176.183 176.870 -0.062 0.000 1.073 433 L CA 2.425 57.254 54.840 -0.017 0.000 0.753 433 L CB -1.799 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 1.682 178.921 177.300 -0.101 0.000 1.170 434 P CA 2.273 65.306 63.100 -0.112 0.000 0.898 434 P CB -0.335 31.290 31.700 -0.125 0.000 0.787 435 A N -0.544 122.222 122.820 -0.090 0.000 1.927 435 A HA -0.257 4.078 4.320 0.024 0.000 0.220 435 A C 2.291 179.878 177.584 0.004 0.000 1.185 435 A CA 2.497 54.513 52.037 -0.034 0.000 0.639 435 A CB -1.624 17.384 19.000 0.015 0.000 0.820 435 A HN 0.119 nan 8.150 nan 0.000 0.451 436 M N -0.541 119.072 119.600 0.021 0.000 2.132 436 M HA -0.137 4.358 4.480 0.024 0.000 0.263 436 M C 2.592 178.839 176.300 -0.087 0.000 1.065 436 M CA 1.703 56.998 55.300 -0.009 0.000 1.122 436 M CB -0.496 32.080 32.600 -0.039 0.000 1.365 436 M HN 0.658 nan 8.290 nan 0.000 0.411 437 S N 0.829 116.450 115.700 -0.132 0.000 2.365 437 S HA -0.213 4.272 4.470 0.024 0.000 0.225 437 S C 1.664 176.101 174.600 -0.272 0.000 1.039 437 S CA 1.679 59.738 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 0.529 120.615 120.200 -0.190 0.000 2.268 438 E HA -0.070 4.294 4.350 0.024 0.000 0.195 438 E C 2.353 178.869 176.600 -0.140 0.000 0.995 438 E CA 0.684 56.979 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 4.335 4.340 0.024 0.000 0.213 439 R C 2.218 178.478 176.300 -0.066 0.000 1.055 439 R CA 0.477 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 0.245 120.075 119.914 -0.141 0.000 2.436 440 V HA -0.162 3.973 4.120 0.024 0.000 0.240 440 V C 2.476 178.410 176.094 -0.268 0.000 1.040 440 V CA 2.042 64.241 62.300 -0.167 0.000 1.052 440 V CB -0.284 31.437 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 4.079 4.350 0.024 0.000 0.267 441 T C 1.902 176.454 174.700 -0.246 0.000 1.036 441 T CA 1.763 63.522 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 0.520 120.899 120.500 -0.202 0.000 2.115 442 R HA 0.181 4.536 4.340 0.024 0.000 0.230 442 R C 2.695 178.921 176.300 -0.123 0.000 1.111 442 R CA 1.366 57.380 56.100 -0.144 0.000 0.976 442 R CB -0.564 29.658 30.300 -0.129 0.000 0.870 442 R HN 0.449 nan 8.270 nan 0.000 0.445 443 M N 0.930 120.467 119.600 -0.106 0.000 2.080 443 M HA -0.174 4.320 4.480 0.024 0.000 0.260 443 M C 1.939 178.175 176.300 -0.106 0.000 1.068 443 M CA 1.720 56.986 55.300 -0.057 0.000 1.109 443 M CB 0.033 32.635 32.600 0.003 0.000 1.342 443 M HN 0.003 nan 8.290 nan 0.000 0.405 444 V N 1.093 120.847 119.914 -0.266 0.000 2.295 444 V HA -0.291 3.843 4.120 0.024 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 -0.273 119.454 119.800 -0.123 0.000 2.234 445 Q HA -0.250 4.104 4.340 0.024 0.000 0.206 445 Q C 2.382 178.289 176.000 -0.154 0.000 0.980 445 Q CA 1.614 57.349 55.803 -0.114 0.000 0.869 445 Q CB -0.254 28.439 28.738 -0.076 0.000 0.912 445 Q HN 0.593 nan 8.270 nan 0.000 0.436 446 R N 0.489 120.895 120.500 -0.157 0.000 2.112 446 R HA -0.072 4.283 4.340 0.024 0.000 0.216 446 R C 0.553 176.760 176.300 -0.156 0.000 1.080 446 R CA 1.155 57.135 56.100 -0.201 0.000 0.996 446 R CB 0.454 30.636 30.300 -0.196 0.000 0.902 446 R HN 0.102 nan 8.270 nan 0.000 0.449 447 D N 0.068 120.438 120.400 -0.050 0.000 2.369 447 D HA -0.005 4.650 4.640 0.024 0.000 0.211 447 D C 1.435 177.800 176.300 0.108 0.000 1.077 447 D CA 0.148 54.147 54.000 -0.002 0.000 0.842 447 D CB 0.286 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 0.813 121.402 120.500 0.150 0.000 2.200 448 R HA -0.033 4.322 4.340 0.024 0.000 0.234 448 R C 1.030 177.313 176.300 -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 -0.052 nan 8.270 nan 0.000 0.459 449 N N 0.108 118.712 118.700 -0.159 0.000 2.336 449 N HA -0.016 4.738 4.740 0.024 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 0.075 38.406 38.487 -0.261 0.000 0.970 449 N HN 0.310 nan 8.380 nan 0.000 0.471 450 H N 1.163 120.156 119.070 -0.128 0.000 2.646 450 H HA 0.115 4.685 4.556 0.023 0.000 0.325 450 H C -1.198 173.975 175.328 -0.257 0.000 1.075 450 H CA -1.312 54.647 56.048 -0.149 0.000 1.421 450 H CB 1.614 31.319 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 1.351 178.201 177.300 -0.751 0.000 1.150 451 P CA 1.061 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 -1.169 114.190 115.700 -0.569 0.000 2.447 452 S HA -0.026 4.459 4.470 0.024 0.000 0.233 452 S C 1.044 175.620 174.600 -0.040 0.000 1.006 452 S CA 0.286 58.329 58.200 -0.262 0.000 0.957 452 S CB -1.373 61.805 63.200 -0.036 0.000 0.773 452 S HN -0.071 nan 8.310 nan 0.000 0.507 453 V N 3.652 123.502 119.914 -0.107 0.000 2.427 453 V HA 0.269 4.403 4.120 0.024 0.000 0.268 453 V C 1.021 176.975 176.094 -0.234 0.000 1.046 453 V CA -0.128 62.077 62.300 -0.158 0.000 0.970 453 V CB 0.517 32.162 31.823 -0.297 0.000 1.001 453 V HN 0.623 nan 8.190 nan 0.000 0.476 454 I N 2.476 122.956 120.570 -0.150 0.000 4.288 454 I HA 0.533 4.718 4.170 0.024 0.000 0.331 454 I C 0.285 176.281 176.117 -0.201 0.000 1.322 454 I CA 0.422 61.636 61.300 -0.142 0.000 1.149 454 I CB 0.546 38.537 38.000 -0.015 0.000 1.112 454 I HN 0.336 nan 8.210 nan 0.000 0.403 455 I N 0.285 120.710 120.570 -0.242 0.000 2.752 455 I HA 0.368 4.552 4.170 0.024 0.000 0.295 455 I C -1.639 174.368 176.117 -0.183 0.000 1.219 455 I CA -0.385 60.812 61.300 -0.171 0.000 1.030 455 I CB 2.253 40.243 38.000 -0.017 0.000 1.259 455 I HN 0.020 nan 8.210 nan 0.000 0.423 456 W N 3.891 125.230 121.300 0.064 0.000 2.496 456 W HA 0.670 5.342 4.660 0.020 0.000 0.327 456 W C 0.247 176.820 176.519 0.090 0.000 1.086 456 W CA -0.727 56.662 57.345 0.073 0.000 1.222 456 W CB 1.753 31.251 29.460 0.063 0.000 1.304 456 W HN 0.324 nan 8.180 nan 0.000 0.547 457 S N 2.820 118.740 115.700 0.366 0.000 2.521 457 S HA 0.408 4.892 4.470 0.024 0.000 0.295 457 S C 0.116 174.870 174.600 0.256 0.000 1.098 457 S CA -0.718 57.644 58.200 0.269 0.000 0.999 457 S CB 0.972 64.284 63.200 0.187 0.000 1.034 457 S HN 0.610 nan 8.310 nan 0.000 0.483 458 L N 3.763 125.128 121.223 0.236 0.000 2.610 458 L HA 0.337 4.691 4.340 0.024 0.000 0.232 458 L C 1.429 178.350 176.870 0.084 0.000 1.149 458 L CA 0.647 55.554 54.840 0.112 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 -0.049 108.874 108.800 0.206 0.000 2.270 459 G HA2 -0.116 3.858 3.960 0.024 0.000 0.268 459 G HA3 -0.116 3.858 3.960 0.024 0.000 0.268 459 G C -1.680 173.394 174.900 0.290 0.000 1.312 459 G CA -0.591 44.636 45.100 0.211 0.000 1.050 459 G HN 0.157 nan 8.290 nan 0.000 0.474 460 N N 0.584 119.400 118.700 0.192 0.000 2.331 460 N HA 0.468 5.223 4.740 0.024 0.000 0.280 460 N C -0.033 175.449 175.510 -0.047 0.000 1.155 460 N CA 0.267 53.296 53.050 -0.035 0.000 0.822 460 N CB 1.436 39.599 38.487 -0.540 0.000 1.619 460 N HN 1.272 nan 8.380 nan 0.000 0.476 461 E N 0.628 120.708 120.200 -0.200 0.000 2.024 461 E HA -0.232 4.133 4.350 0.024 0.000 0.163 461 E C -1.104 175.408 176.600 -0.146 0.000 1.490 461 E CA 0.842 57.047 56.400 -0.325 0.000 0.586 461 E CB -1.901 27.367 29.700 -0.720 0.000 1.041 461 E HN 0.375 nan 8.360 nan 0.000 0.296 462 S N 0.687 116.448 115.700 0.103 0.000 3.021 462 S HA 0.462 4.947 4.470 0.024 0.000 0.252 462 S C 0.783 175.544 174.600 0.268 0.000 0.996 462 S CA -0.145 58.167 58.200 0.188 0.000 1.084 462 S CB 1.304 64.668 63.200 0.274 0.000 1.021 462 S HN 1.061 nan 8.310 nan 0.000 0.566 463 G N 2.053 110.944 108.800 0.151 0.000 2.578 463 G HA2 -0.277 3.698 3.960 0.024 0.000 0.275 463 G HA3 -0.277 3.698 3.960 0.024 0.000 0.275 463 G C -0.468 174.632 174.900 0.333 0.000 1.271 463 G CA 0.016 45.206 45.100 0.151 0.000 0.941 463 G HN 0.656 nan 8.290 nan 0.000 0.564 464 H N 0.540 119.720 119.070 0.182 0.000 2.906 464 H HA 0.563 5.134 4.556 0.024 0.000 0.324 464 H C 0.321 175.817 175.328 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 30.363 29.762 0.111 0.000 1.535 464 H HN 1.018 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 4.425 3.960 0.024 0.000 0.303 465 G HA3 0.450 4.425 3.960 0.024 0.000 0.303 465 G C 0.600 175.378 174.900 -0.204 0.000 1.253 465 G CA -0.148 44.863 45.100 -0.149 0.000 0.974 465 G HN 0.656 nan 8.290 nan 0.000 0.483 466 A N 0.380 123.103 122.820 -0.161 0.000 1.978 466 A HA -0.108 4.226 4.320 0.024 0.000 0.220 466 A C 2.122 179.678 177.584 -0.047 0.000 1.170 466 A CA 1.895 53.885 52.037 -0.079 0.000 0.636 466 A CB -0.457 18.516 19.000 -0.045 0.000 0.810 466 A HN 0.554 nan 8.150 nan 0.000 0.448 467 N N -0.189 118.445 118.700 -0.110 0.000 2.272 467 N HA -0.170 4.584 4.740 0.024 0.000 0.185 467 N C 1.327 176.768 175.510 -0.116 0.000 1.014 467 N CA 1.797 54.766 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 0.324 119.379 119.070 -0.025 0.000 2.363 468 H HA 0.041 4.611 4.556 0.024 0.000 0.301 468 H C 1.316 176.709 175.328 0.108 0.000 1.074 468 H CA 0.976 57.024 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 -0.151 4.503 4.640 0.024 0.000 0.198 469 D C 2.248 178.691 176.300 0.238 0.000 0.990 469 D CA 1.234 55.369 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 0.763 123.681 122.820 0.163 0.000 1.898 470 A HA -0.082 4.253 4.320 0.024 0.000 0.216 470 A C 2.419 180.122 177.584 0.197 0.000 1.181 470 A CA 0.743 52.871 52.037 0.152 0.000 0.620 470 A CB -0.692 18.355 19.000 0.079 0.000 0.819 470 A HN 0.181 nan 8.150 nan 0.000 0.442 471 L N -1.952 119.370 121.223 0.165 0.000 2.141 471 L HA -0.150 4.204 4.340 0.024 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 -0.598 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 0.397 120.780 120.300 0.138 0.000 2.200 472 Y HA -0.193 4.367 4.550 0.017 0.000 0.290 472 Y C 2.822 178.797 175.900 0.125 0.000 1.137 472 Y CA 1.238 59.418 58.100 0.134 0.000 1.163 472 Y CB -0.078 38.462 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 4.131 4.340 0.024 0.000 0.235 473 R C 1.984 178.294 176.300 0.017 0.000 1.127 473 R CA 1.745 57.908 56.100 0.105 0.000 0.968 473 R CB -1.446 28.970 30.300 0.193 0.000 0.861 473 R HN 0.663 nan 8.270 nan 0.000 0.440 474 W N 1.147 122.414 121.300 -0.055 0.000 2.335 474 W HA -0.170 4.504 4.660 0.024 0.000 0.311 474 W C 1.878 178.308 176.519 -0.148 0.000 1.213 474 W CA 1.669 58.962 57.345 -0.086 0.000 1.274 474 W CB -0.398 29.014 29.460 -0.080 0.000 1.148 474 W HN -0.022 nan 8.180 nan 0.000 0.498 475 I N 0.839 121.367 120.570 -0.071 0.000 2.179 475 I HA -0.362 3.822 4.170 0.024 0.000 0.242 475 I C 2.435 178.322 176.117 -0.383 0.000 1.088 475 I CA 1.467 62.581 61.300 -0.309 0.000 1.357 475 I CB -0.858 37.035 38.000 -0.179 0.000 1.051 475 I HN -0.084 nan 8.210 nan 0.000 0.409 476 K N 0.708 120.905 120.400 -0.339 0.000 2.113 476 K HA -0.138 4.197 4.320 0.024 0.000 0.208 476 K C 2.242 178.690 176.600 -0.253 0.000 1.047 476 K CA 1.367 57.482 56.287 -0.287 0.000 0.928 476 K CB -0.552 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 0.662 116.175 115.700 -0.311 0.000 2.357 477 S HA -0.055 4.429 4.470 0.024 0.000 0.221 477 S C 2.184 176.558 174.600 -0.378 0.000 1.031 477 S CA 0.836 58.857 58.200 -0.299 0.000 0.982 477 S CB -0.054 62.961 63.200 -0.309 0.000 0.853 477 S HN 0.018 nan 8.310 nan 0.000 0.458 478 V N 1.138 120.682 119.914 -0.615 0.000 2.453 478 V HA -0.016 4.118 4.120 0.024 0.000 0.247 478 V C 0.527 176.387 176.094 -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 -1.174 0.000 0.672 478 V HN 0.417 nan 8.190 nan 0.000 0.457 479 D N -1.056 119.154 120.400 -0.316 0.000 2.364 479 D HA 0.239 4.894 4.640 0.024 0.000 0.251 479 D C -2.225 174.052 176.300 -0.039 0.000 1.282 479 D CA -1.643 52.281 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 0.365 63.448 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 -1.139 114.583 115.700 0.037 0.000 2.474 481 S HA -0.011 4.474 4.470 0.024 0.000 0.235 481 S C 0.930 175.554 174.600 0.039 0.000 0.997 481 S CA 0.189 58.414 58.200 0.042 0.000 0.949 481 S CB -0.341 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 0.549 121.088 120.500 0.064 0.000 2.808 482 R HA 0.620 4.974 4.340 0.024 0.000 0.272 482 R C -3.131 173.220 176.300 0.085 0.000 0.995 482 R CA -2.229 53.883 56.100 0.020 0.000 0.917 482 R CB 1.703 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 1.082 32.823 31.700 0.069 0.000 1.064 484 V N 1.807 121.834 119.914 0.188 0.000 2.581 484 V HA 0.497 4.632 4.120 0.024 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 1.394 33.354 31.823 0.228 0.000 0.994 484 V HN 0.647 nan 8.190 nan 0.000 0.442 485 Q N 3.169 123.119 119.800 0.250 0.000 2.421 485 Q HA 0.780 5.134 4.340 0.024 0.000 0.280 485 Q C -1.845 174.300 176.000 0.243 0.000 1.085 485 Q CA -0.906 55.011 55.803 0.191 0.000 0.807 485 Q CB 2.777 31.574 28.738 0.098 0.000 1.405 485 Q HN 0.656 nan 8.270 nan 0.000 0.419 486 Y N 0.548 120.853 120.300 0.008 0.000 2.390 486 Y HA 0.199 4.762 4.550 0.021 0.000 0.324 486 Y C -0.443 175.390 175.900 -0.112 0.000 1.151 486 Y CA -0.770 57.299 58.100 -0.052 0.000 1.053 486 Y CB 2.239 40.654 38.460 -0.076 0.000 1.277 486 Y HN 0.972 nan 8.280 nan 0.000 0.432 487 E N 3.471 123.229 120.200 -0.737 0.000 2.276 487 E HA 0.130 4.495 4.350 0.024 0.000 0.193 487 E C 0.687 176.814 176.600 -0.788 0.000 0.983 487 E CA 0.683 56.714 56.400 -0.615 0.000 0.861 487 E CB 0.216 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 0.133 108.017 108.800 -1.527 0.000 2.460 488 G HA2 0.158 4.133 3.960 0.024 0.000 0.230 488 G HA3 0.158 4.133 3.960 0.024 0.000 0.230 488 G C 0.825 175.514 174.900 -0.351 0.000 1.248 488 G CA 0.407 44.990 45.100 -0.861 0.000 0.863 488 G HN 0.407 nan 8.290 nan 0.000 0.549 489 G N -0.283 108.439 108.800 -0.130 0.000 2.176 489 G HA2 0.233 4.207 3.960 0.024 0.000 0.252 489 G HA3 0.233 4.207 3.960 0.024 0.000 0.252 489 G C 1.303 176.194 174.900 -0.016 0.000 1.024 489 G CA 0.949 46.050 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 4.404 3.960 0.024 0.000 0.189 490 G HA3 0.429 4.404 3.960 0.024 0.000 0.189 490 G C 1.024 176.022 174.900 0.162 0.000 1.000 490 G CA 1.414 46.555 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 4.184 4.320 0.024 0.000 0.269 491 A C 1.099 178.626 177.584 -0.095 0.000 1.056 491 A CA 2.614 54.591 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 4.986 4.640 0.024 0.000 0.265 492 D C 0.574 176.862 176.300 -0.020 0.000 1.339 492 D CA 0.850 54.873 54.000 0.037 0.000 0.816 492 D CB -1.129 39.820 40.800 0.249 0.000 1.091 492 D HN 0.828 nan 8.370 nan 0.000 0.483 493 T N -2.220 112.254 114.554 -0.135 0.000 2.681 493 T HA 0.103 4.467 4.350 0.024 0.000 0.333 493 T C 1.574 176.139 174.700 -0.225 0.000 1.049 493 T CA 0.593 62.545 62.100 -0.246 0.000 1.002 493 T CB 0.438 68.918 68.868 -0.646 0.000 1.161 493 T HN 0.112 nan 8.240 nan 0.000 0.519 494 T N -2.676 111.728 114.554 -0.249 0.000 3.160 494 T HA 0.312 4.676 4.350 0.024 0.000 0.257 494 T C 1.483 175.908 174.700 -0.457 0.000 1.147 494 T CA 0.170 62.137 62.100 -0.222 0.000 1.064 494 T CB -0.398 68.414 68.868 -0.094 0.000 0.949 494 T HN 0.824 nan 8.240 nan 0.000 0.526 495 A N 0.530 123.077 122.820 -0.455 0.000 2.460 495 A HA 0.520 4.855 4.320 0.024 0.000 0.258 495 A C 0.819 178.197 177.584 -0.344 0.000 1.300 495 A CA -0.284 51.412 52.037 -0.568 0.000 0.913 495 A CB 0.101 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 -1.635 112.775 114.554 -0.240 0.000 2.912 496 T HA 0.391 4.755 4.350 0.024 0.000 0.299 496 T C -0.647 174.089 174.700 0.061 0.000 1.052 496 T CA -0.427 61.685 62.100 0.020 0.000 0.996 496 T CB 1.357 70.218 68.868 -0.012 0.000 1.070 496 T HN 0.051 nan 8.240 nan 0.000 0.465 497 D N 2.531 123.035 120.400 0.173 0.000 2.348 497 D HA 0.299 4.953 4.640 0.024 0.000 0.211 497 D C 0.306 176.636 176.300 0.051 0.000 0.998 497 D CA 0.703 54.786 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 0.797 121.377 120.570 0.016 0.000 2.647 498 I HA 0.253 4.437 4.170 0.024 0.000 0.295 498 I C -0.304 175.746 176.117 -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 5.262 125.721 120.570 -0.186 0.000 2.436 499 I HA 0.092 4.276 4.170 0.024 0.000 0.289 499 I C 0.110 176.021 176.117 -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 0.666 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 4.943 4.460 0.024 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 -0.839 26.821 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 0.203 63.190 63.100 -0.188 0.000 0.795 501 P CB 0.770 32.366 31.700 -0.173 0.000 1.038 502 M N -0.231 119.316 119.600 -0.089 0.000 2.243 502 M HA 0.457 4.952 4.480 0.024 0.000 0.324 502 M C -0.849 175.381 176.300 -0.116 0.000 1.031 502 M CA -0.672 54.467 55.300 -0.267 0.000 0.949 502 M CB 1.341 33.736 32.600 -0.342 0.000 1.615 502 M HN 0.342 nan 8.290 nan 0.000 0.430 503 Y N -0.356 120.089 120.300 0.241 0.000 4.490 503 Y HA -0.201 4.364 4.550 0.025 0.000 0.233 503 Y C 0.434 176.484 175.900 0.250 0.000 1.101 503 Y CA 0.398 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 0.985 124.002 122.820 0.329 0.000 2.440 504 A HA 0.587 4.921 4.320 0.024 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 0.367 19.595 19.000 0.380 0.000 1.022 504 A HN 0.424 nan 8.150 nan 0.000 0.492 505 R N 1.343 121.983 120.500 0.233 0.000 2.583 505 R HA 0.350 4.704 4.340 0.024 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 0.542 120.315 119.914 -0.234 0.000 2.244 506 V HA -0.207 3.927 4.120 0.024 0.000 0.244 506 V C 1.018 177.015 176.094 -0.161 0.000 1.042 506 V CA 1.908 64.022 62.300 -0.310 0.000 1.006 506 V CB -0.241 31.264 31.823 -0.531 0.000 0.641 506 V HN 0.746 nan 8.190 nan 0.000 0.446 507 D N -0.970 119.353 120.400 -0.129 0.000 2.422 507 D HA 0.081 4.735 4.640 0.024 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 0.500 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 4.671 4.350 0.024 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 2.507 122.906 120.400 -0.003 0.000 2.253 509 D HA 0.140 4.795 4.640 0.024 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 1.332 42.196 40.800 0.106 0.000 1.176 509 D HN 0.430 nan 8.370 nan 0.000 0.437 510 Q N 1.187 120.753 119.800 -0.390 0.000 2.616 510 Q HA 0.281 4.635 4.340 0.024 0.000 0.250 510 Q C -2.384 172.920 176.000 -1.159 0.000 0.991 510 Q CA -1.569 53.797 55.803 -0.728 0.000 0.707 510 Q CB 2.626 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 -0.769 176.214 177.300 -0.529 0.000 1.849 511 P CA -0.285 62.373 63.100 -0.736 0.000 1.022 511 P CB -0.384 31.084 31.700 -0.386 0.000 1.912 512 F N 2.721 122.528 119.950 -0.238 0.000 2.506 512 F HA 0.211 4.752 4.527 0.023 0.000 0.351 512 F C -1.150 174.554 175.800 -0.160 0.000 1.136 512 F CA -2.454 55.451 58.000 -0.159 0.000 1.298 512 F CB -0.416 38.502 39.000 -0.138 0.000 1.145 512 F HN 0.087 nan 8.300 nan 0.000 0.593 513 P HA 0.062 nan 4.420 nan 0.000 0.268 513 P C 0.330 177.650 177.300 0.034 0.000 1.204 513 P CA 1.004 64.125 63.100 0.036 0.000 0.768 513 P CB 1.158 32.877 31.700 0.031 0.000 0.842 514 A N 3.111 125.938 122.820 0.011 0.000 2.617 514 A HA -0.247 4.088 4.320 0.024 0.000 0.236 514 A C 0.681 178.268 177.584 0.005 0.000 0.551 514 A CA 1.925 53.969 52.037 0.013 0.000 1.144 514 A CB -2.632 16.376 19.000 0.014 0.000 1.384 514 A HN 0.683 nan 8.150 nan 0.000 0.694 515 V N -3.132 116.788 119.914 0.010 0.000 2.464 515 V HA 0.580 4.714 4.120 0.024 0.000 0.255 515 V C -2.428 173.672 176.094 0.009 0.000 0.946 515 V CA -1.205 61.098 62.300 0.005 0.000 0.988 515 V CB 0.748 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 -0.035 62.687 63.100 -0.630 0.000 0.795 516 P CB 1.041 31.946 31.700 -1.326 0.000 1.006 517 K N 1.451 121.383 120.400 -0.778 0.000 2.530 517 K HA 0.205 4.539 4.320 0.024 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 0.489 nan 8.250 nan 0.000 0.480 518 W N 1.372 122.331 121.300 -0.568 0.000 2.079 518 W HA 0.008 4.682 4.660 0.024 0.000 0.354 518 W C 1.403 177.923 176.519 0.001 0.000 1.302 518 W CA -0.575 56.557 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 2.588 118.464 115.700 0.293 0.000 2.549 519 S HA -0.017 4.468 4.470 0.024 0.000 0.286 519 S C 1.102 175.860 174.600 0.263 0.000 1.314 519 S CA -0.316 57.996 58.200 0.185 0.000 1.062 519 S CB 0.258 63.501 63.200 0.072 0.000 0.865 519 S HN 0.527 nan 8.310 nan 0.000 0.498 520 I N 1.806 122.497 120.570 0.202 0.000 2.208 520 I HA -0.202 3.982 4.170 0.024 0.000 0.245 520 I C 1.990 178.131 176.117 0.041 0.000 1.097 520 I CA 1.287 62.693 61.300 0.177 0.000 1.363 520 I CB -0.601 37.447 38.000 0.081 0.000 1.051 520 I HN 0.621 nan 8.210 nan 0.000 0.413 521 K N 1.734 122.055 120.400 -0.131 0.000 2.097 521 K HA -0.179 4.155 4.320 0.024 0.000 0.206 521 K C 2.194 178.770 176.600 -0.040 0.000 1.049 521 K CA 1.613 57.727 56.287 -0.288 0.000 0.933 521 K CB -0.395 31.861 32.500 -0.406 0.000 0.717 521 K HN 0.475 nan 8.250 nan 0.000 0.442 522 K N 0.456 120.868 120.400 0.020 0.000 2.155 522 K HA -0.143 4.191 4.320 0.024 0.000 0.203 522 K C 1.905 178.525 176.600 0.034 0.000 1.052 522 K CA 0.545 56.835 56.287 0.005 0.000 0.948 522 K CB -0.060 32.415 32.500 -0.043 0.000 0.728 522 K HN 0.188 nan 8.250 nan 0.000 0.448 523 W N 2.147 123.421 121.300 -0.044 0.000 2.321 523 W HA -0.210 4.460 4.660 0.017 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 -0.573 28.977 29.460 0.149 0.000 1.145 523 W HN 0.086 nan 8.180 nan 0.000 0.509 524 L N 0.768 122.140 121.223 0.248 0.000 2.191 524 L HA -0.219 4.136 4.340 0.024 0.000 0.212 524 L C 2.069 178.995 176.870 0.094 0.000 1.103 524 L CA 1.791 56.714 54.840 0.138 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 -1.542 114.192 115.700 0.058 0.000 2.568 525 S HA 0.247 4.732 4.470 0.024 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 63.171 63.200 0.017 0.000 0.829 525 S HN -0.025 nan 8.310 nan 0.000 0.479 526 L N 3.293 124.481 121.223 -0.058 0.000 2.483 526 L HA 0.323 4.677 4.340 0.024 0.000 0.276 526 L C -2.351 174.483 176.870 -0.059 0.000 1.213 526 L CA -1.660 53.101 54.840 -0.132 0.000 0.843 526 L CB -0.502 41.464 42.059 -0.156 0.000 1.107 526 L HN 0.037 nan 8.230 nan 0.000 0.487 527 P HA 0.222 nan 4.420 nan 0.000 0.267 527 P C 0.667 177.959 177.300 -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 1.927 110.727 108.800 -0.001 0.000 2.241 528 G HA2 -0.225 3.749 3.960 0.024 0.000 0.244 528 G HA3 -0.225 3.749 3.960 0.024 0.000 0.244 528 G C 0.318 175.233 174.900 0.025 0.000 0.998 528 G CA -0.251 44.856 45.100 0.012 0.000 0.621 528 G HN 0.553 nan 8.290 nan 0.000 0.519 529 E N 1.245 121.466 120.200 0.035 0.000 2.360 529 E HA 0.553 4.917 4.350 0.024 0.000 0.269 529 E C 1.391 178.014 176.600 0.038 0.000 1.022 529 E CA 0.733 57.165 56.400 0.054 0.000 0.887 529 E CB 0.953 30.710 29.700 0.094 0.000 0.990 529 E HN 0.687 nan 8.360 nan 0.000 0.426 530 T N 0.181 114.755 114.554 0.032 0.000 3.252 530 T HA 0.296 4.660 4.350 0.024 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 2.487 122.990 120.500 0.005 0.000 2.615 531 R HA 0.478 4.833 4.340 0.024 0.000 0.270 531 R C -2.495 173.783 176.300 -0.036 0.000 1.081 531 R CA -1.876 54.216 56.100 -0.013 0.000 1.154 531 R CB 0.154 30.440 30.300 -0.024 0.000 1.063 531 R HN 0.243 nan 8.270 nan 0.000 0.519 532 P HA 0.026 nan 4.420 nan 0.000 0.272 532 P C -1.206 176.022 177.300 -0.120 0.000 1.230 532 P CA -0.233 62.824 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 2.769 123.900 121.223 -0.153 0.000 2.349 533 L HA 0.597 4.951 4.340 0.024 0.000 0.278 533 L C -1.245 175.473 176.870 -0.254 0.000 0.996 533 L CA -0.572 54.136 54.840 -0.220 0.000 0.825 533 L CB 0.611 42.512 42.059 -0.264 0.000 1.243 533 L HN 0.234 nan 8.230 nan 0.000 0.412 534 I N 5.760 126.188 120.570 -0.237 0.000 2.468 534 I HA 0.308 4.492 4.170 0.024 0.000 0.285 534 I C -0.736 175.280 176.117 -0.169 0.000 1.039 534 I CA -0.689 60.463 61.300 -0.247 0.000 1.074 534 I CB 1.983 39.903 38.000 -0.133 0.000 1.228 534 I HN 0.530 nan 8.210 nan 0.000 0.436 535 L N 5.586 126.678 121.223 -0.219 0.000 2.477 535 L HA 0.048 4.402 4.340 0.024 0.000 0.272 535 L C 1.491 178.438 176.870 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 0.502 119.853 119.300 0.085 0.000 2.446 536 C HA 0.111 4.585 4.460 0.024 0.000 0.279 536 C C 0.606 175.739 174.990 0.237 0.000 1.366 536 C CA -0.138 58.965 59.018 0.141 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 -0.778 119.493 120.200 0.118 0.000 2.321 537 E HA 0.596 4.961 4.350 0.024 0.000 0.281 537 E C -1.348 175.212 176.600 -0.066 0.000 0.910 537 E CA -0.397 56.072 56.400 0.115 0.000 0.770 537 E CB 1.732 31.364 29.700 -0.114 0.000 1.225 537 E HN 0.684 nan 8.360 nan 0.000 0.417 538 Y N -0.991 119.293 120.300 -0.026 0.000 2.638 538 Y HA 0.665 5.231 4.550 0.026 0.000 0.335 538 Y C -0.644 175.408 175.900 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 39.422 38.460 -0.253 0.000 1.303 538 Y HN 0.698 nan 8.280 nan 0.000 0.460 539 A N 2.056 124.938 122.820 0.102 0.000 2.183 539 A HA -0.263 4.072 4.320 0.024 0.000 0.278 539 A C -0.436 177.292 177.584 0.239 0.000 1.404 539 A CA 0.993 53.093 52.037 0.104 0.000 0.737 539 A CB -2.431 16.521 19.000 -0.080 0.000 1.172 539 A HN 1.088 nan 8.150 nan 0.000 0.338 540 H N 0.999 120.231 119.070 0.271 0.000 3.191 540 H HA 0.250 4.820 4.556 0.024 0.000 0.261 540 H C 1.177 176.587 175.328 0.136 0.000 1.013 540 H CA 0.799 57.013 56.048 0.277 0.000 1.457 540 H CB 0.417 30.219 29.762 0.066 0.000 1.535 540 H HN 0.829 nan 8.280 nan 0.000 0.518 541 A N 6.481 129.229 122.820 -0.119 0.000 2.648 541 A HA 0.039 4.374 4.320 0.024 0.000 0.269 541 A C 0.984 178.427 177.584 -0.235 0.000 1.392 541 A CA -0.384 51.553 52.037 -0.168 0.000 1.019 541 A CB -0.600 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 1.426 120.863 119.600 -0.271 0.000 2.266 542 M HA 0.408 4.902 4.480 0.024 0.000 0.340 542 M C 1.044 177.206 176.300 -0.229 0.000 1.486 542 M CA 1.266 56.431 55.300 -0.226 0.000 1.209 542 M CB -0.481 32.044 32.600 -0.125 0.000 1.714 542 M HN 0.783 nan 8.290 nan 0.000 0.459 543 G N 4.464 113.115 108.800 -0.249 0.000 2.556 543 G HA2 -0.347 3.627 3.960 0.024 0.000 0.283 543 G HA3 -0.347 3.627 3.960 0.024 0.000 0.283 543 G C -0.143 174.302 174.900 -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 1.597 119.719 118.700 -0.964 0.000 2.466 544 N HA 0.522 5.277 4.740 0.024 0.000 0.263 544 N C -0.092 175.182 175.510 -0.393 0.000 1.178 544 N CA 1.060 53.661 53.050 -0.747 0.000 0.983 544 N CB 0.403 38.478 38.487 -0.688 0.000 1.331 544 N HN 0.704 nan 8.380 nan 0.000 0.500 545 S N 1.685 117.233 115.700 -0.254 0.000 2.903 545 S HA 0.627 5.112 4.470 0.024 0.000 0.314 545 S C -0.140 174.404 174.600 -0.092 0.000 1.177 545 S CA -0.409 57.700 58.200 -0.153 0.000 0.859 545 S CB 0.384 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 4.298 4.340 0.024 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 -0.894 107.935 108.800 0.050 0.000 2.398 547 G HA2 0.481 4.455 3.960 0.024 0.000 0.246 547 G HA3 0.481 4.455 3.960 0.024 0.000 0.246 547 G C 1.238 176.216 174.900 0.131 0.000 1.289 547 G CA 0.177 45.292 45.100 0.024 0.000 0.869 547 G HN 1.355 nan 8.290 nan 0.000 0.543 548 G N 1.669 110.548 108.800 0.131 0.000 2.175 548 G HA2 -0.327 3.648 3.960 0.024 0.000 0.244 548 G HA3 -0.327 3.648 3.960 0.024 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 0.834 nan 8.290 nan 0.000 0.527 549 F N 2.043 122.132 119.950 0.232 0.000 2.115 549 F HA -0.006 4.536 4.527 0.025 0.000 0.300 549 F C 2.718 178.745 175.800 0.379 0.000 1.092 549 F CA 2.797 61.002 58.000 0.342 0.000 1.245 549 F CB -0.479 38.657 39.000 0.227 0.000 0.995 549 F HN 0.395 nan 8.300 nan 0.000 0.481 550 A N -0.208 122.805 122.820 0.321 0.000 1.972 550 A HA -0.212 4.122 4.320 0.024 0.000 0.219 550 A C 2.288 179.891 177.584 0.031 0.000 1.169 550 A CA 1.679 53.825 52.037 0.182 0.000 0.635 550 A CB -0.664 18.438 19.000 0.169 0.000 0.810 550 A HN 0.432 nan 8.150 nan 0.000 0.446 551 K N -1.404 118.994 120.400 -0.004 0.000 2.074 551 K HA -0.212 4.122 4.320 0.024 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 -0.540 119.475 120.300 -0.475 0.000 2.097 552 Y HA -0.271 4.292 4.550 0.023 0.000 0.282 552 Y C 2.207 177.092 175.900 -1.693 0.000 1.152 552 Y CA 1.390 58.844 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 4.443 4.660 0.026 0.000 0.281 553 W C 2.605 178.918 176.519 -0.344 0.000 1.219 553 W CA 1.918 58.933 57.345 -0.550 0.000 1.220 553 W CB -0.530 28.722 29.460 -0.347 0.000 1.127 553 W HN 0.214 nan 8.180 nan 0.000 0.556 554 Q N -0.013 119.639 119.800 -0.247 0.000 2.269 554 Q HA -0.050 4.305 4.340 0.024 0.000 0.201 554 Q C 2.169 178.101 176.000 -0.114 0.000 0.946 554 Q CA 1.398 57.133 55.803 -0.112 0.000 0.877 554 Q CB -0.250 28.457 28.738 -0.050 0.000 0.963 554 Q HN 0.165 nan 8.270 nan 0.000 0.472 555 A N 0.686 123.345 122.820 -0.269 0.000 1.872 555 A HA -0.062 4.273 4.320 0.024 0.000 0.214 555 A C 1.834 179.442 177.584 0.040 0.000 1.187 555 A CA 0.873 52.826 52.037 -0.140 0.000 0.614 555 A CB -1.031 17.768 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 4.255 4.527 0.025 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 -0.074 120.493 120.500 0.113 0.000 2.148 557 R HA -0.151 4.204 4.340 0.024 0.000 0.223 557 R C 2.041 178.387 176.300 0.075 0.000 1.088 557 R CA 1.018 57.171 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 -0.313 119.562 119.800 0.124 0.000 2.250 558 Q HA 0.001 4.356 4.340 0.024 0.000 0.200 558 Q C -0.457 175.556 176.000 0.023 0.000 0.941 558 Q CA 0.644 56.499 55.803 0.087 0.000 0.872 558 Q CB 0.518 29.355 28.738 0.166 0.000 0.965 558 Q HN 0.194 nan 8.270 nan 0.000 0.480 559 Y N 0.331 120.620 120.300 -0.019 0.000 2.353 559 Y HA 0.250 4.812 4.550 0.021 0.000 0.340 559 Y C -1.735 174.143 175.900 -0.037 0.000 0.972 559 Y CA -2.834 55.252 58.100 -0.023 0.000 1.157 559 Y CB 1.264 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 1.193 178.494 177.300 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 -0.994 119.524 120.500 0.030 0.000 2.316 561 R HA 0.050 4.405 4.340 0.024 0.000 0.202 561 R C 0.586 176.857 176.300 -0.049 0.000 1.029 561 R CA 0.343 56.441 56.100 -0.003 0.000 1.018 561 R CB -0.556 29.755 30.300 0.017 0.000 0.888 561 R HN 0.296 nan 8.270 nan 0.000 0.471 562 L N 2.277 123.480 121.223 -0.032 0.000 2.315 562 L HA 0.152 4.506 4.340 0.024 0.000 0.278 562 L C 0.459 177.147 176.870 -0.304 0.000 1.088 562 L CA 0.012 54.766 54.840 -0.144 0.000 0.899 562 L CB 1.005 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 2.544 122.116 119.800 -0.379 0.000 2.242 563 Q HA 0.345 4.699 4.340 0.024 0.000 0.246 563 Q C 0.959 176.579 176.000 -0.633 0.000 0.883 563 Q CA 0.089 55.651 55.803 -0.401 0.000 0.984 563 Q CB 0.762 29.359 28.738 -0.234 0.000 1.096 563 Q HN 0.881 nan 8.270 nan 0.000 0.452 564 G N -0.216 107.825 108.800 -1.265 0.000 2.482 564 G HA2 0.069 4.044 3.960 0.024 0.000 0.214 564 G HA3 0.069 4.044 3.960 0.024 0.000 0.214 564 G C -0.194 173.919 174.900 -1.310 0.000 1.271 564 G CA -0.754 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 -2.390 105.910 108.800 -0.832 0.000 2.349 565 G HA2 0.638 4.612 3.960 0.024 0.000 0.294 565 G HA3 0.638 4.612 3.960 0.024 0.000 0.294 565 G C -1.722 173.050 174.900 -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 0.752 120.926 119.950 0.373 0.000 2.375 566 F HA 0.531 5.071 4.527 0.022 0.000 0.361 566 F C 0.822 176.951 175.800 0.547 0.000 1.117 566 F CA -0.678 57.594 58.000 0.454 0.000 1.037 566 F CB 1.938 41.099 39.000 0.268 0.000 1.192 566 F HN 0.224 nan 8.300 nan 0.000 0.452 567 V N 3.496 123.733 119.914 0.539 0.000 2.963 567 V HA -0.057 4.077 4.120 0.024 0.000 0.306 567 V C -0.362 175.904 176.094 0.285 0.000 1.077 567 V CA -0.372 62.031 62.300 0.172 0.000 1.124 567 V CB 1.043 32.969 31.823 0.171 0.000 0.987 567 V HN 0.752 nan 8.190 nan 0.000 0.487 568 W N 6.138 127.510 121.300 0.120 0.000 2.362 568 W HA 0.473 5.147 4.660 0.023 0.000 0.316 568 W C -0.996 175.544 176.519 0.035 0.000 1.024 568 W CA -0.727 56.724 57.345 0.176 0.000 1.270 568 W CB 1.482 31.181 29.460 0.398 0.000 1.273 568 W HN 0.897 nan 8.180 nan 0.000 0.424 569 D N 2.852 122.953 120.400 -0.500 0.000 2.798 569 D HA 0.135 4.789 4.640 0.024 0.000 0.308 569 D C 0.698 176.791 176.300 -0.346 0.000 1.187 569 D CA -0.536 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 0.608 121.607 121.300 -0.501 0.000 2.423 570 W HA 0.085 4.760 4.660 0.024 0.000 0.321 570 W C -0.144 176.158 176.519 -0.361 0.000 1.180 570 W CA 1.176 58.283 57.345 -0.398 0.000 1.322 570 W CB 0.118 29.370 29.460 -0.347 0.000 1.174 570 W HN 0.185 nan 8.180 nan 0.000 0.470 571 V N 1.425 121.096 119.914 -0.404 0.000 2.769 571 V HA 0.244 4.378 4.120 0.024 0.000 0.312 571 V C -0.668 175.214 176.094 -0.354 0.000 1.058 571 V CA -1.000 61.024 62.300 -0.460 0.000 0.952 571 V CB 1.267 32.971 31.823 -0.198 0.000 1.019 571 V HN -0.120 nan 8.190 nan 0.000 0.445 572 D N 1.967 122.177 120.400 -0.317 0.000 2.425 572 D HA 0.150 4.805 4.640 0.024 0.000 0.247 572 D C 0.407 176.555 176.300 -0.254 0.000 1.147 572 D CA 0.432 54.300 54.000 -0.221 0.000 0.879 572 D CB 1.063 41.827 40.800 -0.060 0.000 1.179 572 D HN 0.602 nan 8.370 nan 0.000 0.456 573 Q N 1.154 120.733 119.800 -0.369 0.000 2.642 573 Q HA 0.097 4.452 4.340 0.024 0.000 0.319 573 Q C -0.079 175.879 176.000 -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 -0.589 115.180 115.700 0.116 0.000 2.610 574 S HA 0.603 5.087 4.470 0.024 0.000 0.273 574 S C -0.126 174.661 174.600 0.312 0.000 1.274 574 S CA -0.729 57.654 58.200 0.304 0.000 1.023 574 S CB 1.426 64.777 63.200 0.252 0.000 0.962 574 S HN 0.299 nan 8.310 nan 0.000 0.523 575 L N 1.391 122.711 121.223 0.162 0.000 2.341 575 L HA 0.569 4.924 4.340 0.024 0.000 0.267 575 L C -0.333 176.440 176.870 -0.162 0.000 1.009 575 L CA -1.060 53.745 54.840 -0.058 0.000 0.819 575 L CB 1.681 43.572 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 4.406 4.170 0.024 0.000 0.290 576 I C -0.037 175.704 176.117 -0.626 0.000 1.028 576 I CA -0.164 60.860 61.300 -0.459 0.000 1.345 576 I CB 1.094 38.830 38.000 -0.440 0.000 1.407 576 I HN 0.518 nan 8.210 nan 0.000 0.501 577 K N 5.448 125.192 120.400 -1.093 0.000 2.340 577 K HA 0.558 4.892 4.320 0.024 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 2.404 33.916 32.500 -1.647 0.000 1.226 577 K HN 0.281 nan 8.250 nan 0.000 0.437 578 Y N 0.652 120.783 120.300 -0.281 0.000 2.446 578 Y HA 0.131 4.695 4.550 0.024 0.000 0.345 578 Y C 0.257 176.315 175.900 0.262 0.000 0.984 578 Y CA -0.992 57.122 58.100 0.024 0.000 1.058 578 Y CB 1.401 39.857 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 4.671 4.640 0.024 0.000 0.269 579 D C 1.103 177.504 176.300 0.169 0.000 1.232 579 D CA -0.467 53.697 54.000 0.274 0.000 1.059 579 D CB 0.312 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 -0.456 119.800 120.200 0.093 0.000 2.273 580 E HA -0.265 4.099 4.350 0.024 0.000 0.198 580 E C -0.070 176.561 176.600 0.052 0.000 1.002 580 E CA 1.193 57.626 56.400 0.055 0.000 0.828 580 E CB -0.391 29.325 29.700 0.026 0.000 0.747 580 E HN 0.512 nan 8.360 nan 0.000 0.491 581 N N -0.312 118.430 118.700 0.071 0.000 2.351 581 N HA 0.147 4.901 4.740 0.024 0.000 0.254 581 N C 0.533 176.087 175.510 0.073 0.000 1.241 581 N CA 0.294 53.378 53.050 0.058 0.000 0.883 581 N CB 1.262 39.777 38.487 0.047 0.000 1.202 581 N HN 0.244 nan 8.380 nan 0.000 0.512 582 G N 1.422 110.281 108.800 0.099 0.000 2.198 582 G HA2 -0.270 3.704 3.960 0.024 0.000 0.260 582 G HA3 -0.270 3.704 3.960 0.024 0.000 0.260 582 G C -0.494 174.548 174.900 0.237 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 1.149 120.013 118.700 0.274 0.000 2.438 583 N HA 0.543 5.297 4.740 0.024 0.000 0.282 583 N C -2.399 173.297 175.510 0.311 0.000 1.037 583 N CA -1.501 51.707 53.050 0.262 0.000 0.942 583 N CB 2.027 40.618 38.487 0.174 0.000 1.136 583 N HN 0.151 nan 8.380 nan 0.000 0.481 584 P HA 0.435 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 -0.488 62.452 63.100 -0.268 0.000 0.826 584 P CB 0.953 32.428 31.700 -0.376 0.000 1.064 585 W N -1.234 119.815 121.300 -0.419 0.000 3.248 585 W HA 0.367 5.041 4.660 0.024 0.000 0.311 585 W C -1.626 174.706 176.519 -0.313 0.000 1.258 585 W CA -0.921 56.189 57.345 -0.393 0.000 1.191 585 W CB 0.096 29.109 29.460 -0.744 0.000 1.389 585 W HN 0.121 nan 8.180 nan 0.000 0.561 586 S N 1.856 117.540 115.700 -0.026 0.000 2.455 586 S HA 0.561 5.045 4.470 0.024 0.000 0.278 586 S C 0.291 174.960 174.600 0.116 0.000 1.216 586 S CA -0.181 58.017 58.200 -0.003 0.000 1.055 586 S CB 0.821 64.103 63.200 0.136 0.000 0.939 586 S HN 0.646 nan 8.310 nan 0.000 0.494 587 A N 2.942 125.692 122.820 -0.117 0.000 2.294 587 A HA 0.880 5.215 4.320 0.024 0.000 0.330 587 A C -0.562 177.232 177.584 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 -0.883 119.726 120.300 0.514 0.000 3.068 588 Y HA 0.751 5.316 4.550 0.024 0.000 0.302 588 Y C 0.563 176.859 175.900 0.659 0.000 1.610 588 Y CA -1.482 56.945 58.100 0.545 0.000 1.078 588 Y CB -0.096 38.502 38.460 0.229 0.000 1.418 588 Y HN 0.986 nan 8.280 nan 0.000 0.525 589 G N 0.007 109.300 108.800 0.822 0.000 2.287 589 G HA2 0.365 4.340 3.960 0.024 0.000 0.235 589 G HA3 0.365 4.340 3.960 0.024 0.000 0.235 589 G C 1.044 176.333 174.900 0.649 0.000 1.258 589 G CA 0.496 45.980 45.100 0.641 0.000 0.884 589 G HN 2.033 nan 8.290 nan 0.000 0.518 590 G N 2.012 111.140 108.800 0.546 0.000 2.189 590 G HA2 -0.293 3.682 3.960 0.024 0.000 0.267 590 G HA3 -0.293 3.682 3.960 0.024 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 4.845 4.640 0.024 0.000 0.226 591 D C 1.143 177.330 176.300 -0.189 0.000 1.020 591 D CA 0.338 54.420 54.000 0.137 0.000 0.892 591 D CB -0.169 40.654 40.800 0.038 0.000 0.900 591 D HN 0.465 nan 8.370 nan 0.000 0.531 592 F N -0.776 119.310 119.950 0.227 0.000 2.735 592 F HA 0.301 4.843 4.527 0.024 0.000 0.304 592 F C 1.682 177.578 175.800 0.160 0.000 1.119 592 F CA -0.381 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 0.804 109.761 108.800 0.263 0.000 2.166 593 G HA2 -0.309 3.665 3.960 0.024 0.000 0.260 593 G HA3 -0.309 3.665 3.960 0.024 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 0.411 121.010 120.400 0.332 0.000 2.417 594 D HA 0.406 5.060 4.640 0.024 0.000 0.250 594 D C -0.038 176.397 176.300 0.225 0.000 1.166 594 D CA 0.523 54.713 54.000 0.316 0.000 0.881 594 D CB 1.150 42.209 40.800 0.432 0.000 1.164 594 D HN 0.053 nan 8.370 nan 0.000 0.467 595 T N 2.692 117.351 114.554 0.175 0.000 2.916 595 T HA 0.484 4.848 4.350 0.024 0.000 0.298 595 T C -2.322 172.426 174.700 0.079 0.000 1.031 595 T CA -0.942 61.227 62.100 0.114 0.000 0.993 595 T CB 1.973 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 0.521 nan 4.420 nan 0.000 0.281 596 P C -1.119 176.171 177.300 -0.017 0.000 1.281 596 P CA -0.721 62.385 63.100 0.010 0.000 0.811 596 P CB 0.794 32.477 31.700 -0.028 0.000 1.154 597 N N -1.248 117.443 118.700 -0.016 0.000 2.610 597 N HA 0.137 4.891 4.740 0.024 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 1.476 40.013 38.487 0.082 0.000 1.521 597 N HN 0.193 nan 8.380 nan 0.000 0.497 598 D N 0.322 120.634 120.400 -0.147 0.000 2.427 598 D HA 0.091 4.745 4.640 0.024 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 0.752 41.469 40.800 -0.139 0.000 0.974 598 D HN 0.642 nan 8.370 nan 0.000 0.498 599 R N 0.472 121.165 120.500 0.322 0.000 3.772 599 R HA -0.381 3.973 4.340 0.024 0.000 0.480 599 R C 1.074 177.295 176.300 -0.132 0.000 0.241 599 R CA 1.522 57.757 56.100 0.224 0.000 1.508 599 R CB -1.444 28.913 30.300 0.095 0.000 0.956 599 R HN 0.015 nan 8.270 nan 0.000 0.583 600 Q N 0.665 120.051 119.800 -0.690 0.000 2.364 600 Q HA 0.061 4.415 4.340 0.024 0.000 0.209 600 Q C 1.889 177.546 176.000 -0.570 0.000 0.977 600 Q CA 1.992 57.242 55.803 -0.921 0.000 0.885 600 Q CB -0.375 27.737 28.738 -1.042 0.000 0.941 600 Q HN 0.496 nan 8.270 nan 0.000 0.464 601 F N 0.686 120.521 119.950 -0.193 0.000 2.354 601 F HA -0.252 4.289 4.527 0.024 0.000 0.300 601 F C 1.777 177.518 175.800 -0.099 0.000 1.052 601 F CA 1.001 58.979 58.000 -0.037 0.000 1.425 601 F CB -0.410 38.628 39.000 0.062 0.000 1.095 601 F HN 0.368 nan 8.300 nan 0.000 0.560 602 C N -1.569 117.481 119.300 -0.415 0.000 2.697 602 C HA 0.338 4.812 4.460 0.024 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 -1.478 25.224 27.740 -1.729 0.000 1.860 602 C HN 0.195 nan 8.230 nan 0.000 0.589 603 M N 3.135 122.582 119.600 -0.254 0.000 2.027 603 M HA 0.351 4.845 4.480 0.024 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 0.542 33.060 32.600 -0.137 0.000 1.392 603 M HN 0.276 nan 8.290 nan 0.000 0.394 604 N N 1.256 119.845 118.700 -0.184 0.000 2.232 604 N HA 0.138 4.893 4.740 0.024 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 0.293 108.843 108.800 -0.417 0.000 2.572 605 G HA2 0.398 4.373 3.960 0.024 0.000 0.261 605 G HA3 0.398 4.373 3.960 0.024 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 -0.214 120.536 121.223 -0.789 0.000 2.375 606 L HA 0.164 4.518 4.340 0.024 0.000 0.215 606 L C 0.810 177.093 176.870 -0.978 0.000 1.108 606 L CA 0.243 54.638 54.840 -0.742 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 -4.651 114.582 119.914 -1.133 0.000 2.914 607 V HA 0.474 4.608 4.120 0.024 0.000 0.314 607 V C -0.273 175.394 176.094 -0.710 0.000 1.084 607 V CA -1.203 60.583 62.300 -0.857 0.000 0.963 607 V CB 1.588 32.921 31.823 -0.817 0.000 1.025 607 V HN -0.125 nan 8.190 nan 0.000 0.432 608 F N 1.804 121.649 119.950 -0.175 0.000 2.440 608 F HA 0.538 5.080 4.527 0.025 0.000 0.323 608 F C 1.958 177.684 175.800 -0.123 0.000 1.192 608 F CA 0.590 58.580 58.000 -0.018 0.000 1.252 608 F CB 0.986 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 0.818 123.731 122.820 0.155 0.000 2.032 609 A HA -0.264 4.070 4.320 0.024 0.000 0.221 609 A C 1.570 179.136 177.584 -0.030 0.000 1.165 609 A CA 2.041 54.113 52.037 0.058 0.000 0.645 609 A CB -1.137 17.933 19.000 0.117 0.000 0.807 609 A HN 0.841 nan 8.150 nan 0.000 0.453 610 D N -3.140 117.264 120.400 0.007 0.000 2.349 610 D HA 0.146 4.800 4.640 0.024 0.000 0.224 610 D C 0.660 176.952 176.300 -0.013 0.000 1.029 610 D CA 0.146 54.122 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 -1.183 119.312 120.500 -0.007 0.000 3.854 611 R HA -0.120 4.234 4.340 0.024 0.000 0.352 611 R C -0.428 175.884 176.300 0.021 0.000 1.156 611 R CA 1.094 57.181 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 -1.854 112.764 114.554 0.106 0.000 2.837 612 T HA 0.716 5.080 4.350 0.024 0.000 0.285 612 T C -2.382 172.482 174.700 0.274 0.000 0.984 612 T CA -2.179 60.016 62.100 0.158 0.000 1.049 612 T CB 2.314 71.248 68.868 0.110 0.000 0.947 612 T HN -0.162 nan 8.240 nan 0.000 0.472 613 P HA 0.207 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 -0.320 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 2.727 121.639 119.070 -0.263 0.000 2.505 614 H HA 0.132 4.702 4.556 0.024 0.000 0.355 614 H C -1.198 174.049 175.328 -0.135 0.000 1.179 614 H CA -1.939 53.941 56.048 -0.279 0.000 1.343 614 H CB 0.666 30.219 29.762 -0.348 0.000 1.501 614 H HN 0.313 nan 8.280 nan 0.000 0.569 615 P HA -0.162 nan 4.420 nan 0.000 0.218 615 P C 1.272 178.576 177.300 0.007 0.000 1.148 615 P CA 1.310 64.409 63.100 -0.001 0.000 0.822 615 P CB -0.031 31.659 31.700 -0.017 0.000 0.784 616 A N 0.138 122.966 122.820 0.013 0.000 1.958 616 A HA -0.229 4.105 4.320 0.024 0.000 0.221 616 A C 2.135 179.664 177.584 -0.092 0.000 1.178 616 A CA 1.711 53.714 52.037 -0.056 0.000 0.642 616 A CB -1.746 17.199 19.000 -0.091 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 4.148 4.340 0.024 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 -0.985 41.075 42.059 0.002 0.000 0.890 617 L HN 0.419 nan 8.230 nan 0.000 0.435 618 T N -1.286 113.298 114.554 0.050 0.000 2.770 618 T HA -0.177 4.187 4.350 0.024 0.000 0.263 618 T C 1.704 176.474 174.700 0.117 0.000 1.039 618 T CA 1.279 63.458 62.100 0.131 0.000 1.142 618 T CB -0.153 68.791 68.868 0.126 0.000 0.868 618 T HN 0.367 nan 8.240 nan 0.000 0.435 619 E N 1.489 121.711 120.200 0.036 0.000 2.097 619 E HA -0.136 4.228 4.350 0.024 0.000 0.196 619 E C 2.135 178.696 176.600 -0.066 0.000 1.000 619 E CA 1.456 57.873 56.400 0.028 0.000 0.804 619 E CB -0.501 29.194 29.700 -0.009 0.000 0.740 619 E HN 0.452 nan 8.360 nan 0.000 0.454 620 A N 0.938 123.602 122.820 -0.260 0.000 1.835 620 A HA -0.263 4.071 4.320 0.024 0.000 0.215 620 A C 2.173 179.601 177.584 -0.260 0.000 1.199 620 A CA 2.287 54.111 52.037 -0.354 0.000 0.615 620 A CB -0.871 17.939 19.000 -0.316 0.000 0.838 620 A HN 0.306 nan 8.150 nan 0.000 0.444 621 K N -0.938 119.374 120.400 -0.147 0.000 2.077 621 K HA -0.306 4.028 4.320 0.024 0.000 0.213 621 K C 2.062 178.543 176.600 -0.198 0.000 1.051 621 K CA 2.317 58.544 56.287 -0.100 0.000 0.929 621 K CB -0.490 32.096 32.500 0.144 0.000 0.715 621 K HN 0.785 nan 8.250 nan 0.000 0.451 622 H N -0.953 117.917 119.070 -0.333 0.000 2.363 622 H HA -0.038 4.532 4.556 0.025 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 4.238 4.340 0.024 0.000 0.202 623 Q C 1.906 177.353 176.000 -0.922 0.000 0.970 623 Q CA 1.152 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 4.363 4.340 0.024 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 -0.188 119.190 119.800 -0.703 0.000 2.386 625 Q HA -0.060 4.295 4.340 0.024 0.000 0.282 625 Q C -0.366 175.253 176.000 -0.635 0.000 1.050 625 Q CA 0.316 55.813 55.803 -0.510 0.000 0.918 625 Q CB 0.406 29.002 28.738 -0.238 0.000 1.266 625 Q HN 0.182 nan 8.270 nan 0.000 0.423 626 F N 0.705 120.413 119.950 -0.404 0.000 2.789 626 F HA 0.270 4.811 4.527 0.023 0.000 0.300 626 F C -0.121 175.142 175.800 -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 0.195 120.104 119.950 -0.068 0.000 2.520 627 F HA 0.496 5.038 4.527 0.025 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 1.317 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 3.131 122.680 119.800 -0.419 0.000 2.365 628 Q HA 0.525 4.879 4.340 0.024 0.000 0.269 628 Q C -1.460 174.162 176.000 -0.629 0.000 1.061 628 Q CA -0.664 54.877 55.803 -0.436 0.000 0.816 628 Q CB 3.155 31.795 28.738 -0.162 0.000 1.325 628 Q HN 0.546 nan 8.270 nan 0.000 0.446 629 F N 0.520 120.591 119.950 0.202 0.000 2.546 629 F HA 0.627 5.168 4.527 0.025 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 1.727 122.560 120.500 0.556 0.000 2.604 630 R HA 0.590 4.944 4.340 0.024 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 1.345 122.525 121.223 -0.072 0.000 2.305 631 L HA 0.485 4.839 4.340 0.024 0.000 0.284 631 L C -0.807 175.909 176.870 -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 43.194 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 5.161 4.470 0.024 0.000 0.283 632 S C 0.455 174.967 174.600 -0.147 0.000 1.170 632 S CA 0.218 58.337 58.200 -0.134 0.000 1.119 632 S CB 0.086 63.240 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 3.632 3.960 0.024 0.000 0.312 633 G HA3 -0.342 3.632 3.960 0.024 0.000 0.312 633 G C 0.331 175.119 174.900 -0.186 0.000 1.186 633 G CA 0.830 45.845 45.100 -0.142 0.000 0.965 633 G HN 1.121 nan 8.290 nan 0.000 0.548 634 Q N -0.646 119.048 119.800 -0.176 0.000 2.110 634 Q HA 0.549 4.903 4.340 0.024 0.000 0.232 634 Q C -0.248 175.616 176.000 -0.227 0.000 0.810 634 Q CA 0.419 56.092 55.803 -0.218 0.000 1.083 634 Q CB 0.652 29.274 28.738 -0.194 0.000 1.193 634 Q HN 0.439 nan 8.270 nan 0.000 0.471 635 T N 1.575 116.011 114.554 -0.197 0.000 2.779 635 T HA 0.541 4.906 4.350 0.024 0.000 0.280 635 T C -0.463 174.135 174.700 -0.170 0.000 0.987 635 T CA -0.387 61.618 62.100 -0.158 0.000 0.966 635 T CB 1.003 69.809 68.868 -0.103 0.000 0.933 635 T HN 0.242 nan 8.240 nan 0.000 0.442 636 I N 2.749 123.239 120.570 -0.134 0.000 2.354 636 I HA 0.329 4.513 4.170 0.024 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 6.247 126.498 120.200 0.085 0.000 2.134 637 E HA 0.428 4.793 4.350 0.024 0.000 0.278 637 E C -1.457 175.229 176.600 0.144 0.000 0.959 637 E CA -0.575 55.881 56.400 0.094 0.000 0.783 637 E CB 1.557 31.297 29.700 0.067 0.000 1.095 637 E HN 0.331 nan 8.360 nan 0.000 0.399 638 V N 4.039 124.011 119.914 0.096 0.000 2.435 638 V HA 0.313 4.448 4.120 0.024 0.000 0.290 638 V C 0.010 176.104 176.094 -0.001 0.000 1.030 638 V CA -0.536 61.772 62.300 0.014 0.000 0.881 638 V CB 1.847 33.704 31.823 0.056 0.000 0.983 638 V HN 0.704 nan 8.190 nan 0.000 0.445 639 T N 3.298 117.815 114.554 -0.062 0.000 2.807 639 T HA 0.348 4.713 4.350 0.024 0.000 0.279 639 T C -0.133 174.584 174.700 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 4.733 4.470 0.024 0.000 0.279 640 S C 0.780 175.309 174.600 -0.117 0.000 1.219 640 S CA -0.566 57.637 58.200 0.006 0.000 1.062 640 S CB 0.696 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 2.968 123.007 120.200 -0.268 0.000 2.463 641 E HA 0.091 4.455 4.350 0.024 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 0.250 120.439 120.300 -0.186 0.000 2.397 642 Y HA 0.016 4.581 4.550 0.024 0.000 0.335 642 Y C 1.359 177.097 175.900 -0.271 0.000 1.213 642 Y CA 0.104 58.058 58.100 -0.242 0.000 1.391 642 Y CB 0.778 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 1.073 122.128 121.223 -0.279 0.000 2.470 643 L HA 0.078 4.433 4.340 0.024 0.000 0.219 643 L C 0.726 177.154 176.870 -0.736 0.000 1.071 643 L CA 0.546 55.002 54.840 -0.639 0.000 0.850 643 L CB 0.075 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 -0.326 119.645 119.950 0.035 0.000 2.619 644 F HA 0.194 4.735 4.527 0.022 0.000 0.281 644 F C 1.347 177.139 175.800 -0.013 0.000 1.065 644 F CA -0.800 57.195 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 -0.118 nan 8.300 nan 0.000 0.648 645 R N 0.081 120.635 120.500 0.089 0.000 2.573 645 R HA 0.457 4.812 4.340 0.024 0.000 0.272 645 R C -1.090 175.200 176.300 -0.017 0.000 1.009 645 R CA -0.607 55.484 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 4.776 4.556 0.024 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 -0.151 0.000 3.232 647 S HA -0.044 4.440 4.470 0.024 0.000 0.298 647 S C -0.139 174.551 174.600 0.150 0.000 1.159 647 S CA -0.023 58.226 58.200 0.081 0.000 1.240 647 S CB -0.769 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 0.201 120.681 120.400 0.132 0.000 2.501 648 D HA 0.150 4.805 4.640 0.024 0.000 0.226 648 D C 0.104 176.450 176.300 0.076 0.000 1.198 648 D CA -0.557 53.521 54.000 0.130 0.000 0.830 648 D CB -0.151 40.722 40.800 0.121 0.000 1.014 648 D HN 0.459 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 4.910 4.740 0.024 0.000 0.252 649 N C -1.694 173.871 175.510 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 4.858 4.350 0.024 0.000 0.276 650 E C -1.826 174.800 176.600 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 3.036 124.295 121.223 0.060 0.000 2.381 651 L HA 0.583 4.938 4.340 0.024 0.000 0.268 651 L C -1.738 175.193 176.870 0.101 0.000 0.997 651 L CA -0.983 53.902 54.840 0.075 0.000 0.818 651 L CB 1.800 43.909 42.059 0.085 0.000 1.310 651 L HN 0.557 nan 8.230 nan 0.000 0.416 652 L N 4.330 125.627 121.223 0.123 0.000 2.272 652 L HA 0.432 4.786 4.340 0.024 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 0.677 42.845 42.059 0.182 0.000 1.205 652 L HN 0.624 nan 8.230 nan 0.000 0.422 653 H N 6.394 125.538 119.070 0.123 0.000 2.489 653 H HA 0.316 4.887 4.556 0.024 0.000 0.322 653 H C -1.421 174.009 175.328 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 30.531 29.762 -0.003 0.000 1.436 653 H HN 0.807 nan 8.280 nan 0.000 0.480 654 W N 5.358 126.347 121.300 -0.517 0.000 2.850 654 W HA 0.578 5.252 4.660 0.024 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 1.637 31.025 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 0.494 4.988 4.480 0.024 0.000 0.287 655 M C -2.589 173.931 176.300 0.368 0.000 1.160 655 M CA -0.404 55.026 55.300 0.217 0.000 0.902 655 M CB 1.996 34.614 32.600 0.031 0.000 1.752 655 M HN 0.208 nan 8.290 nan 0.000 0.504 656 V N 2.837 122.943 119.914 0.321 0.000 2.628 656 V HA 1.050 5.184 4.120 0.024 0.000 0.306 656 V C -0.439 175.769 176.094 0.191 0.000 1.045 656 V CA -0.072 62.395 62.300 0.277 0.000 0.905 656 V CB 1.500 33.491 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 5.162 4.320 0.024 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 1.578 122.897 121.223 0.160 0.000 2.276 658 L HA 0.577 4.931 4.340 0.024 0.000 0.286 658 L C -0.623 176.350 176.870 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 4.915 125.486 120.400 0.284 0.000 2.755 659 D HA -0.197 4.457 4.640 0.024 0.000 0.227 659 D C 1.190 177.512 176.300 0.037 0.000 1.211 659 D CA 1.541 55.683 54.000 0.237 0.000 0.663 659 D CB -1.044 39.876 40.800 0.200 0.000 0.983 659 D HN 1.149 nan 8.370 nan 0.000 0.407 660 G N -0.771 108.007 108.800 -0.036 0.000 2.225 660 G HA2 -0.372 3.602 3.960 0.024 0.000 0.254 660 G HA3 -0.372 3.602 3.960 0.024 0.000 0.254 660 G C 0.122 174.943 174.900 -0.131 0.000 0.988 660 G CA 0.545 45.525 45.100 -0.200 0.000 0.625 660 G HN 0.567 nan 8.290 nan 0.000 0.527 661 K N 1.606 121.983 120.400 -0.039 0.000 2.240 661 K HA 0.609 4.943 4.320 0.024 0.000 0.271 661 K C -2.898 173.705 176.600 0.005 0.000 1.018 661 K CA -2.230 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 -0.207 62.894 63.100 0.002 0.000 0.768 662 P CB 0.714 32.397 31.700 -0.027 0.000 0.856 663 L N 1.362 122.612 121.223 0.045 0.000 2.749 663 L HA 0.559 4.913 4.340 0.024 0.000 0.242 663 L C 0.772 177.676 176.870 0.057 0.000 1.103 663 L CA 0.094 54.965 54.840 0.052 0.000 0.906 663 L CB 0.324 42.428 42.059 0.076 0.000 1.228 663 L HN 0.355 nan 8.230 nan 0.000 0.517 664 A N -0.193 122.660 122.820 0.054 0.000 2.590 664 A HA 0.728 5.062 4.320 0.024 0.000 0.294 664 A C -1.074 176.369 177.584 -0.235 0.000 1.046 664 A CA -0.353 51.696 52.037 0.019 0.000 0.684 664 A CB 1.353 20.505 19.000 0.252 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 5.408 4.470 0.024 0.000 0.270 665 S C -0.098 173.554 174.600 -1.580 0.000 1.142 665 S CA -0.234 57.238 58.200 -1.213 0.000 0.870 665 S CB 1.821 64.709 63.200 -0.520 0.000 1.112 665 S HN 2.091 nan 8.310 nan 0.000 0.466 666 G N 0.234 107.663 108.800 -2.285 0.000 2.766 666 G HA2 0.770 4.744 3.960 0.024 0.000 0.288 666 G HA3 0.770 4.744 3.960 0.024 0.000 0.288 666 G C -2.013 172.423 174.900 -0.773 0.000 1.408 666 G CA -0.763 43.522 45.100 -1.358 0.000 0.852 666 G HN 0.611 nan 8.290 nan 0.000 0.487 667 E N -0.998 119.117 120.200 -0.142 0.000 2.321 667 E HA 0.498 4.862 4.350 0.024 0.000 0.281 667 E C -1.694 174.994 176.600 0.147 0.000 0.910 667 E CA -0.615 55.822 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 2.830 122.847 119.914 0.170 0.000 2.711 668 V HA 0.348 4.483 4.120 0.024 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 2.106 34.033 31.823 0.174 0.000 1.015 668 V HN 0.530 nan 8.190 nan 0.000 0.427 669 P HA 0.284 nan 4.420 nan 0.000 0.271 669 P C -0.726 176.613 177.300 0.065 0.000 1.220 669 P CA -0.007 63.136 63.100 0.073 0.000 0.768 669 P CB 0.729 32.471 31.700 0.069 0.000 0.848 670 L N 3.239 124.487 121.223 0.041 0.000 2.292 670 L HA 0.306 4.661 4.340 0.024 0.000 0.284 670 L C 0.540 177.442 176.870 0.054 0.000 1.065 670 L CA 0.083 54.932 54.840 0.014 0.000 0.806 670 L CB 0.563 42.569 42.059 -0.087 0.000 1.175 670 L HN 0.283 nan 8.230 nan 0.000 0.431 671 D N 2.953 123.395 120.400 0.071 0.000 2.412 671 D HA 0.386 5.040 4.640 0.024 0.000 0.276 671 D C -1.156 175.158 176.300 0.024 0.000 1.196 671 D CA -0.108 53.989 54.000 0.162 0.000 0.905 671 D CB 0.889 41.819 40.800 0.217 0.000 1.081 671 D HN 0.102 nan 8.370 nan 0.000 0.502 672 V N 0.625 120.401 119.914 -0.229 0.000 2.588 672 V HA 0.907 5.042 4.120 0.024 0.000 0.304 672 V C 0.549 176.344 176.094 -0.499 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 0.406 nan 8.190 nan 0.000 0.425 673 A N 5.486 128.170 122.820 -0.227 0.000 2.271 673 A HA 0.866 5.201 4.320 0.024 0.000 0.288 673 A C -2.422 175.154 177.584 -0.013 0.000 1.094 673 A CA -1.861 50.119 52.037 -0.095 0.000 0.828 673 A CB 0.085 19.174 19.000 0.148 0.000 1.091 673 A HN 0.723 nan 8.150 nan 0.000 0.493 674 P HA -0.021 nan 4.420 nan 0.000 0.263 674 P C -0.534 176.762 177.300 -0.006 0.000 1.175 674 P CA 0.713 63.825 63.100 0.021 0.000 0.761 674 P CB 0.300 31.995 31.700 -0.008 0.000 0.794 675 Q N -1.314 118.470 119.800 -0.027 0.000 2.406 675 Q HA -0.182 4.172 4.340 0.024 0.000 0.236 675 Q C 0.672 176.669 176.000 -0.006 0.000 0.799 675 Q CA 1.554 57.339 55.803 -0.032 0.000 1.286 675 Q CB -2.536 26.177 28.738 -0.043 0.000 1.615 675 Q HN 0.763 nan 8.270 nan 0.000 0.621 676 G N 0.237 109.044 108.800 0.011 0.000 2.521 676 G HA2 0.605 4.579 3.960 0.024 0.000 0.323 676 G HA3 0.605 4.579 3.960 0.024 0.000 0.323 676 G C -0.562 174.355 174.900 0.029 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 4.837 4.320 0.024 0.000 0.246 677 K C -0.770 175.853 176.600 0.039 0.000 0.954 677 K CA -0.575 55.731 56.287 0.033 0.000 0.824 677 K CB 2.402 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 4.740 4.340 0.024 0.000 0.271 678 Q C -1.657 174.371 176.000 0.046 0.000 1.046 678 Q CA -0.643 55.187 55.803 0.046 0.000 0.798 678 Q CB 1.412 30.179 28.738 0.048 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 4.939 4.340 0.024 0.000 0.285 679 L C -0.626 176.254 176.870 0.016 0.000 1.035 679 L CA -0.775 54.078 54.840 0.023 0.000 0.806 679 L CB 1.393 43.458 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 4.463 4.170 0.024 0.000 0.285 680 I C -0.367 175.701 176.117 -0.082 0.000 1.039 680 I CA -0.397 60.889 61.300 -0.022 0.000 1.074 680 I CB 2.221 40.221 38.000 0.001 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 4.878 4.350 0.024 0.000 0.279 681 E C -1.052 175.452 176.600 -0.160 0.000 0.965 681 E CA -0.712 55.618 56.400 -0.117 0.000 0.789 681 E CB 1.803 31.454 29.700 -0.081 0.000 1.098 681 E HN 0.488 nan 8.360 nan 0.000 0.397 682 L N 5.345 126.419 121.223 -0.249 0.000 2.399 682 L HA 0.356 4.710 4.340 0.024 0.000 0.266 682 L C -1.972 174.765 176.870 -0.222 0.000 1.114 682 L CA -1.936 52.685 54.840 -0.365 0.000 0.804 682 L CB 0.624 42.346 42.059 -0.560 0.000 1.146 682 L HN 0.411 nan 8.230 nan 0.000 0.451 683 P HA -0.016 nan 4.420 nan 0.000 0.271 683 P C -0.776 176.478 177.300 -0.075 0.000 1.244 683 P CA -0.424 62.643 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 0.870 121.052 120.200 -0.030 0.000 2.415 684 E HA 0.045 4.409 4.350 0.024 0.000 0.263 684 E C -0.801 175.790 176.600 -0.015 0.000 0.995 684 E CA -0.105 56.275 56.400 -0.032 0.000 0.915 684 E CB -0.019 29.672 29.700 -0.015 0.000 0.951 684 E HN 0.269 nan 8.360 nan 0.000 0.449 685 L N 7.306 128.507 121.223 -0.037 0.000 2.292 685 L HA 0.369 4.724 4.340 0.024 0.000 0.284 685 L C -1.741 175.136 176.870 0.012 0.000 1.065 685 L CA -2.046 52.789 54.840 -0.009 0.000 0.806 685 L CB 0.862 42.892 42.059 -0.047 0.000 1.175 685 L HN 0.561 nan 8.230 nan 0.000 0.431 686 P HA 0.088 nan 4.420 nan 0.000 0.270 686 P C -1.525 175.792 177.300 0.027 0.000 1.227 686 P CA -0.336 62.787 63.100 0.038 0.000 0.788 686 P CB 0.536 32.271 31.700 0.058 0.000 0.926 687 Q N -0.517 119.296 119.800 0.021 0.000 2.364 687 Q HA 0.599 4.953 4.340 0.024 0.000 0.251 687 Q C -2.864 173.147 176.000 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 -0.216 177.095 177.300 0.018 0.000 1.285 688 P CA -0.625 62.489 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 -0.297 119.914 120.200 0.018 0.000 2.076 689 E HA 0.004 4.368 4.350 0.024 0.000 0.190 689 E C 0.350 176.962 176.600 0.020 0.000 0.979 689 E CA 0.626 57.035 56.400 0.016 0.000 0.807 689 E CB -0.607 29.102 29.700 0.015 0.000 0.761 689 E HN 0.497 nan 8.360 nan 0.000 0.454 690 S N 1.681 117.396 115.700 0.025 0.000 2.558 690 S HA 0.109 4.594 4.470 0.024 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 2.027 124.871 122.820 0.040 0.000 2.296 691 A HA 0.783 5.117 4.320 0.024 0.000 0.264 691 A C 1.005 178.625 177.584 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 -0.800 108.038 108.800 0.065 0.000 2.371 692 G HA2 0.226 4.200 3.960 0.024 0.000 0.663 692 G HA3 0.226 4.200 3.960 0.024 0.000 0.663 692 G C -1.005 173.942 174.900 0.078 0.000 1.311 692 G CA -0.601 44.557 45.100 0.096 0.000 0.985 692 G HN 0.908 nan 8.290 nan 0.000 0.566 693 Q N -0.910 118.967 119.800 0.128 0.000 2.256 693 Q HA 0.655 5.009 4.340 0.024 0.000 0.257 693 Q C -0.505 175.575 176.000 0.135 0.000 0.936 693 Q CA -0.754 55.080 55.803 0.052 0.000 0.903 693 Q CB 2.116 30.878 28.738 0.040 0.000 1.263 693 Q HN 0.560 nan 8.270 nan 0.000 0.440 694 L N 3.405 124.594 121.223 -0.057 0.000 2.272 694 L HA 0.492 4.846 4.340 0.024 0.000 0.289 694 L C -1.829 174.989 176.870 -0.087 0.000 1.032 694 L CA -0.041 54.816 54.840 0.028 0.000 0.810 694 L CB 0.505 42.561 42.059 -0.004 0.000 1.205 694 L HN 0.594 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 0.548 5.222 4.660 0.024 0.000 0.331 695 W C -0.936 175.684 176.519 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 31.285 29.460 0.178 0.000 1.408 695 W HN 0.258 nan 8.180 nan 0.000 0.492 696 L N 3.427 124.939 121.223 0.482 0.000 2.275 696 L HA 0.726 5.081 4.340 0.024 0.000 0.288 696 L C -0.311 176.865 176.870 0.510 0.000 1.046 696 L CA 0.210 55.306 54.840 0.427 0.000 0.805 696 L CB 1.073 43.332 42.059 0.332 0.000 1.193 696 L HN 0.331 nan 8.230 nan 0.000 0.426 697 T N 5.074 119.865 114.554 0.395 0.000 2.881 697 T HA 0.663 5.027 4.350 0.024 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 1.792 121.835 119.914 0.214 0.000 2.823 698 V HA 0.863 4.998 4.120 0.024 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 2.270 122.883 120.500 0.187 0.000 2.621 699 R HA 0.772 5.126 4.340 0.024 0.000 0.284 699 R C -1.670 174.775 176.300 0.243 0.000 0.998 699 R CA -0.715 55.529 56.100 0.241 0.000 0.895 699 R CB 2.682 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 3.658 123.747 119.914 0.293 0.000 2.427 700 V HA 0.420 4.554 4.120 0.024 0.000 0.286 700 V C -0.225 175.998 176.094 0.215 0.000 1.034 700 V CA -0.597 61.844 62.300 0.235 0.000 0.893 700 V CB 1.748 33.711 31.823 0.232 0.000 0.982 700 V HN 0.433 nan 8.190 nan 0.000 0.452 701 V N 4.532 124.541 119.914 0.159 0.000 2.680 701 V HA 0.424 4.558 4.120 0.024 0.000 0.309 701 V C -0.323 175.853 176.094 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 4.663 124.556 119.800 0.155 0.000 2.421 702 Q HA 0.287 4.642 4.340 0.024 0.000 0.242 702 Q C -1.731 174.308 176.000 0.065 0.000 1.024 702 Q CA -1.761 54.116 55.803 0.123 0.000 0.891 702 Q CB 1.839 30.666 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 32.115 31.700 0.027 0.000 0.787 704 N N -0.782 117.913 118.700 -0.009 0.000 2.466 704 N HA 0.481 5.235 4.740 0.024 0.000 0.294 704 N C -0.512 174.950 175.510 -0.079 0.000 1.129 704 N CA -0.757 52.272 53.050 -0.034 0.000 0.931 704 N CB 0.987 39.456 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 0.534 4.868 4.320 0.024 0.000 0.257 705 A C 0.539 178.004 177.584 -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 18.979 19.000 -0.111 0.000 1.033 705 A HN 0.714 nan 8.150 nan 0.000 0.488 706 T N -2.316 112.030 114.554 -0.347 0.000 2.804 706 T HA 0.626 4.991 4.350 0.024 0.000 0.272 706 T C 1.055 175.585 174.700 -0.283 0.000 0.986 706 T CA 0.079 61.962 62.100 -0.363 0.000 0.999 706 T CB 1.033 69.458 68.868 -0.739 0.000 1.307 706 T HN 1.216 nan 8.240 nan 0.000 0.586 707 A N -0.318 122.420 122.820 -0.137 0.000 2.119 707 A HA 0.156 4.490 4.320 0.024 0.000 0.217 707 A C 1.598 179.300 177.584 0.197 0.000 1.153 707 A CA 0.720 52.802 52.037 0.075 0.000 0.692 707 A CB -0.785 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 5.091 4.660 0.025 0.000 0.353 708 W C -0.127 176.364 176.519 -0.046 0.000 0.999 708 W CA 0.441 57.814 57.345 0.046 0.000 1.629 708 W CB -1.102 28.380 29.460 0.036 0.000 1.106 708 W HN 0.380 nan 8.180 nan 0.000 0.545 709 S N 0.371 115.623 115.700 -0.747 0.000 2.569 709 S HA 0.474 4.959 4.470 0.024 0.000 0.280 709 S C -0.467 173.896 174.600 -0.395 0.000 1.111 709 S CA -0.565 57.217 58.200 -0.696 0.000 0.887 709 S CB 2.921 65.284 63.200 -1.395 0.000 1.095 709 S HN 0.012 nan 8.310 nan 0.000 0.476 710 E N 0.855 120.938 120.200 -0.196 0.000 2.342 710 E HA 0.554 4.919 4.350 0.024 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 1.237 30.938 29.700 0.002 0.000 1.074 710 E HN 0.895 nan 8.360 nan 0.000 0.449 711 A N -0.370 122.427 122.820 -0.038 0.000 2.407 711 A HA 0.452 4.786 4.320 0.024 0.000 0.248 711 A C 1.011 178.608 177.584 0.021 0.000 1.082 711 A CA 0.572 52.599 52.037 -0.018 0.000 0.785 711 A CB -0.135 18.854 19.000 -0.018 0.000 1.020 711 A HN 0.716 nan 8.150 nan 0.000 0.489 712 G N 0.316 109.138 108.800 0.037 0.000 2.143 712 G HA2 -0.240 3.734 3.960 0.024 0.000 0.248 712 G HA3 -0.240 3.734 3.960 0.024 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 5.127 4.556 0.024 0.000 0.351 713 H C 0.681 176.080 175.328 0.119 0.000 1.090 713 H CA -0.117 55.966 56.048 0.058 0.000 1.431 713 H CB 0.344 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 4.328 124.656 120.570 -0.404 0.000 2.315 714 I HA 0.065 4.249 4.170 0.024 0.000 0.291 714 I C 0.830 176.831 176.117 -0.193 0.000 1.006 714 I CA -0.069 61.136 61.300 -0.157 0.000 1.265 714 I CB 1.672 39.631 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 5.067 4.470 0.024 0.000 0.215 715 S C 0.480 175.363 174.600 0.472 0.000 1.009 715 S CA 0.021 58.481 58.200 0.434 0.000 0.908 715 S CB 0.508 64.084 63.200 0.627 0.000 0.801 715 S HN 0.732 nan 8.310 nan 0.000 0.505 716 A N 0.385 123.518 122.820 0.522 0.000 2.566 716 A HA 0.681 5.016 4.320 0.024 0.000 0.290 716 A C -1.896 176.062 177.584 0.622 0.000 1.071 716 A CA -0.723 51.595 52.037 0.468 0.000 0.658 716 A CB 0.249 19.577 19.000 0.547 0.000 1.285 716 A HN 1.038 nan 8.150 nan 0.000 0.427 717 W N -0.861 120.606 121.300 0.278 0.000 2.982 717 W HA 0.751 5.426 4.660 0.025 0.000 0.344 717 W C -1.448 175.060 176.519 -0.019 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 4.712 4.340 0.024 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 30.539 28.738 -0.692 0.000 1.472 718 Q HN 0.673 nan 8.270 nan 0.000 0.389 719 Q N 2.955 122.487 119.800 -0.447 0.000 2.421 719 Q HA 0.666 5.021 4.340 0.024 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 1.999 123.494 121.300 0.325 0.000 3.033 720 W HA 0.491 5.165 4.660 0.024 0.000 0.336 720 W C -0.347 176.196 176.519 0.040 0.000 1.173 720 W CA -0.882 56.579 57.345 0.194 0.000 1.185 720 W CB 1.956 31.455 29.460 0.064 0.000 1.425 720 W HN 0.585 nan 8.180 nan 0.000 0.536 721 R N 2.051 122.444 120.500 -0.178 0.000 2.254 721 R HA 0.344 4.698 4.340 0.024 0.000 0.318 721 R C 0.406 176.485 176.300 -0.370 0.000 1.031 721 R CA -0.150 55.424 56.100 -0.877 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 2.626 123.658 121.223 -0.318 0.000 2.316 722 L HA 0.355 4.710 4.340 0.024 0.000 0.207 722 L C 0.606 177.374 176.870 -0.171 0.000 1.070 722 L CA 0.398 55.133 54.840 -0.175 0.000 0.820 722 L CB 0.256 42.253 42.059 -0.103 0.000 0.992 722 L HN 0.691 nan 8.230 nan 0.000 0.466 723 A N -0.349 122.349 122.820 -0.204 0.000 2.586 723 A HA 0.595 4.930 4.320 0.024 0.000 0.291 723 A C -1.529 175.966 177.584 -0.149 0.000 1.062 723 A CA -0.441 51.510 52.037 -0.144 0.000 0.666 723 A CB 1.640 20.588 19.000 -0.086 0.000 1.281 723 A HN 0.004 nan 8.150 nan 0.000 0.421 724 E N 0.673 120.815 120.200 -0.098 0.000 2.263 724 E HA 0.412 4.776 4.350 0.024 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 30.848 29.700 -0.072 0.000 1.196 724 E HN 0.600 nan 8.360 nan 0.000 0.416 725 N N 4.986 123.682 118.700 -0.008 0.000 2.511 725 N HA 0.280 5.035 4.740 0.024 0.000 0.249 725 N C -0.503 175.017 175.510 0.016 0.000 0.971 725 N CA -0.320 52.732 53.050 0.005 0.000 0.938 725 N CB 1.251 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 0.105 4.459 4.340 0.024 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 1.526 117.248 115.700 0.037 0.000 2.400 727 S HA 0.242 4.726 4.470 0.024 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 4.406 4.120 0.024 0.000 0.354 728 V C 0.747 176.854 176.094 0.022 0.000 1.350 728 V CA -0.383 61.931 62.300 0.023 0.000 1.244 728 V CB -1.020 30.814 31.823 0.018 0.000 1.222 728 V HN 0.861 nan 8.190 nan 0.000 0.478 729 T N 0.257 114.826 114.554 0.025 0.000 2.770 729 T HA 0.739 5.104 4.350 0.024 0.000 0.283 729 T C -0.499 174.214 174.700 0.023 0.000 0.988 729 T CA -0.675 61.439 62.100 0.022 0.000 0.957 729 T CB 1.476 70.357 68.868 0.022 0.000 0.930 729 T HN 0.205 nan 8.240 nan 0.000 0.443 730 L N 3.211 124.445 121.223 0.017 0.000 2.380 730 L HA 0.600 4.954 4.340 0.024 0.000 0.273 730 L C -1.810 175.065 176.870 0.009 0.000 1.138 730 L CA -1.737 53.111 54.840 0.013 0.000 0.832 730 L CB -1.112 40.952 42.059 0.010 0.000 1.124 730 L HN 0.428 nan 8.230 nan 0.000 0.454 731 P HA 0.300 nan 4.420 nan 0.000 0.272 731 P C -0.708 176.580 177.300 -0.020 0.000 1.230 731 P CA -0.573 62.524 63.100 -0.005 0.000 0.788 731 P CB 0.589 32.285 31.700 -0.008 0.000 0.949 732 A N 1.729 124.529 122.820 -0.034 0.000 2.476 732 A HA 0.424 4.759 4.320 0.024 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 -1.050 17.918 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 4.687 4.320 0.024 0.000 0.262 733 A C 1.075 178.578 177.584 -0.135 0.000 1.049 733 A CA 0.560 52.557 52.037 -0.067 0.000 0.804 733 A CB -0.928 18.058 19.000 -0.024 0.000 0.957 733 A HN 1.666 nan 8.150 nan 0.000 0.520 734 S N 2.883 118.502 115.700 -0.135 0.000 2.817 734 S HA -0.107 4.377 4.470 0.024 0.000 0.333 734 S C 0.800 175.331 174.600 -0.115 0.000 1.227 734 S CA 0.880 58.983 58.200 -0.162 0.000 1.027 734 S CB -0.206 62.944 63.200 -0.084 0.000 0.732 734 S HN 0.802 nan 8.310 nan 0.000 0.499 735 H N 1.766 120.838 119.070 0.004 0.000 2.326 735 H HA 0.115 4.686 4.556 0.024 0.000 0.301 735 H C 1.534 176.864 175.328 0.003 0.000 1.081 735 H CA 1.069 57.120 56.048 0.005 0.000 1.334 735 H CB 0.038 29.805 29.762 0.009 0.000 1.385 735 H HN 0.758 nan 8.280 nan 0.000 0.504 736 A N 0.778 123.662 122.820 0.106 0.000 2.450 736 A HA 0.609 4.943 4.320 0.024 0.000 0.281 736 A C -0.374 177.198 177.584 -0.020 0.000 1.372 736 A CA -0.306 51.756 52.037 0.041 0.000 0.886 736 A CB 0.487 19.506 19.000 0.033 0.000 1.462 736 A HN 0.323 nan 8.150 nan 0.000 0.514 737 I N -1.360 119.156 120.570 -0.090 0.000 2.741 737 I HA 0.488 4.672 4.170 0.024 0.000 0.288 737 I C -2.994 172.905 176.117 -0.363 0.000 1.482 737 I CA -1.699 59.514 61.300 -0.146 0.000 1.050 737 I CB 2.521 40.477 38.000 -0.073 0.000 1.388 737 I HN 0.391 nan 8.210 nan 0.000 0.428 738 P HA 0.341 nan 4.420 nan 0.000 0.279 738 P C -1.517 175.615 177.300 -0.280 0.000 1.239 738 P CA 0.164 63.078 63.100 -0.311 0.000 0.789 738 P CB 0.348 31.961 31.700 -0.144 0.000 0.933 739 H N 0.914 120.017 119.070 0.055 0.000 2.467 739 H HA 0.471 5.041 4.556 0.024 0.000 0.326 739 H C -0.407 174.954 175.328 0.056 0.000 1.094 739 H CA -0.975 55.099 56.048 0.045 0.000 1.253 739 H CB 1.156 30.946 29.762 0.047 0.000 1.439 739 H HN 0.254 nan 8.280 nan 0.000 0.479 740 L N 3.001 124.321 121.223 0.161 0.000 2.280 740 L HA 0.355 4.710 4.340 0.024 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 4.835 4.350 0.024 0.000 0.288 741 T C 0.042 174.847 174.700 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 2.645 117.298 114.554 0.165 0.000 2.847 742 T HA 0.729 5.093 4.350 0.024 0.000 0.279 742 T C 0.172 174.900 174.700 0.048 0.000 0.984 742 T CA -0.668 61.536 62.100 0.174 0.000 0.988 742 T CB 1.261 70.249 68.868 0.200 0.000 1.040 742 T HN 0.688 nan 8.240 nan 0.000 0.528 743 S N -0.394 115.280 115.700 -0.043 0.000 2.643 743 S HA 0.209 4.694 4.470 0.024 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 0.572 120.714 120.200 -0.096 0.000 2.435 744 E HA 0.092 4.456 4.350 0.024 0.000 0.195 744 E C 1.262 177.776 176.600 -0.143 0.000 1.029 744 E CA 0.438 56.766 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 1.195 120.724 119.600 -0.118 0.000 2.394 745 M HA 0.188 4.682 4.480 0.024 0.000 0.266 745 M C -0.317 175.904 176.300 -0.133 0.000 1.098 745 M CA 0.942 56.186 55.300 -0.093 0.000 1.149 745 M CB -0.583 31.995 32.600 -0.037 0.000 1.369 745 M HN 0.236 nan 8.290 nan 0.000 0.450 746 D N -2.458 117.828 120.400 -0.191 0.000 2.779 746 D HA 0.410 5.065 4.640 0.024 0.000 0.331 746 D C -1.283 174.861 176.300 -0.259 0.000 1.331 746 D CA -0.636 53.248 54.000 -0.194 0.000 0.866 746 D CB 0.697 41.516 40.800 0.031 0.000 1.409 746 D HN -0.068 nan 8.370 nan 0.000 0.486 747 F N -0.358 119.675 119.950 0.138 0.000 2.507 747 F HA 0.607 5.148 4.527 0.024 0.000 0.325 747 F C -0.429 175.493 175.800 0.204 0.000 1.116 747 F CA -0.821 57.252 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 3.970 123.491 119.300 0.367 0.000 2.456 748 C HA 0.751 5.225 4.460 0.024 0.000 0.325 748 C C -0.487 174.681 174.990 0.298 0.000 1.217 748 C CA -0.824 58.390 59.018 0.326 0.000 1.687 748 C CB 1.076 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 3.765 124.565 120.570 0.383 0.000 2.436 749 I HA 0.468 4.653 4.170 0.024 0.000 0.289 749 I C -0.316 176.089 176.117 0.481 0.000 1.010 749 I CA -0.078 61.442 61.300 0.366 0.000 1.098 749 I CB 1.529 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 7.636 128.037 120.200 0.334 0.000 2.266 750 E HA 0.771 5.136 4.350 0.024 0.000 0.268 750 E C -1.257 175.491 176.600 0.247 0.000 0.879 750 E CA -1.013 55.564 56.400 0.294 0.000 0.762 750 E CB 2.864 32.661 29.700 0.163 0.000 1.199 750 E HN 0.620 nan 8.360 nan 0.000 0.422 751 L N 1.071 122.446 121.223 0.254 0.000 2.795 751 L HA 0.517 4.871 4.340 0.024 0.000 0.260 751 L C 0.171 177.116 176.870 0.126 0.000 0.935 751 L CA 0.618 55.558 54.840 0.166 0.000 0.985 751 L CB 0.919 43.085 42.059 0.179 0.000 1.433 751 L HN 0.951 nan 8.230 nan 0.000 0.447 752 G N 4.397 113.243 108.800 0.078 0.000 2.547 752 G HA2 -0.388 3.587 3.960 0.024 0.000 0.271 752 G HA3 -0.388 3.587 3.960 0.024 0.000 0.271 752 G C 0.494 175.397 174.900 0.005 0.000 1.209 752 G CA 0.544 45.669 45.100 0.041 0.000 0.959 752 G HN 1.204 nan 8.290 nan 0.000 0.563 753 N N 0.901 119.585 118.700 -0.026 0.000 2.409 753 N HA 0.007 4.761 4.740 0.024 0.000 0.179 753 N C 0.774 176.223 175.510 -0.102 0.000 1.032 753 N CA 1.304 54.321 53.050 -0.056 0.000 0.898 753 N CB -0.108 38.349 38.487 -0.051 0.000 0.971 753 N HN 0.778 nan 8.380 nan 0.000 0.441 754 K N 0.709 121.017 120.400 -0.153 0.000 2.350 754 K HA 0.216 4.550 4.320 0.024 0.000 0.279 754 K C -0.031 176.327 176.600 -0.403 0.000 1.027 754 K CA -0.096 55.964 56.287 -0.379 0.000 0.969 754 K CB 1.106 33.287 32.500 -0.532 0.000 0.954 754 K HN 0.113 nan 8.250 nan 0.000 0.474 755 R N 2.923 123.128 120.500 -0.491 0.000 2.626 755 R HA 0.318 4.672 4.340 0.024 0.000 0.274 755 R C -1.709 174.513 176.300 -0.131 0.000 1.031 755 R CA -0.640 55.365 56.100 -0.158 0.000 0.898 755 R CB 1.322 31.605 30.300 -0.028 0.000 1.222 755 R HN 0.625 nan 8.270 nan 0.000 0.455 756 W N 3.599 125.032 121.300 0.221 0.000 2.739 756 W HA 0.335 5.009 4.660 0.024 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 2.134 31.685 29.460 0.152 0.000 1.404 756 W HN 0.456 nan 8.180 nan 0.000 0.477 757 Q N 2.731 122.715 119.800 0.307 0.000 2.340 757 Q HA 0.457 4.811 4.340 0.024 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 2.766 122.822 119.950 0.176 0.000 2.426 758 F HA 0.300 4.841 4.527 0.024 0.000 0.348 758 F C 0.549 176.416 175.800 0.111 0.000 1.124 758 F CA -0.974 57.104 58.000 0.129 0.000 1.008 758 F CB 1.272 40.354 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 4.824 4.740 0.024 0.000 0.262 759 N C 0.888 176.443 175.510 0.075 0.000 1.144 759 N CA -0.030 53.087 53.050 0.112 0.000 0.952 759 N CB 0.692 39.236 38.487 0.095 0.000 1.081 759 N HN 0.670 nan 8.380 nan 0.000 0.480 760 R N 2.693 123.169 120.500 -0.041 0.000 2.285 760 R HA -0.098 4.256 4.340 0.024 0.000 0.213 760 R C 1.120 177.382 176.300 -0.063 0.000 1.068 760 R CA 1.107 57.147 56.100 -0.101 0.000 1.004 760 R CB 0.137 30.240 30.300 -0.329 0.000 0.873 760 R HN 0.648 nan 8.270 nan 0.000 0.467 761 Q N 0.095 119.873 119.800 -0.037 0.000 2.204 761 Q HA -0.015 4.340 4.340 0.024 0.000 0.198 761 Q C 2.145 178.127 176.000 -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 29.004 28.738 -0.014 0.000 0.946 761 Q HN 0.310 nan 8.270 nan 0.000 0.474 762 S N -1.030 114.669 115.700 -0.002 0.000 2.456 762 S HA 0.229 4.714 4.470 0.024 0.000 0.224 762 S C 1.638 176.117 174.600 -0.202 0.000 1.035 762 S CA 0.526 58.722 58.200 -0.007 0.000 0.940 762 S CB 0.319 63.612 63.200 0.156 0.000 0.799 762 S HN 0.485 nan 8.310 nan 0.000 0.508 763 G N 0.330 109.051 108.800 -0.133 0.000 2.141 763 G HA2 -0.187 3.788 3.960 0.024 0.000 0.231 763 G HA3 -0.187 3.788 3.960 0.024 0.000 0.231 763 G C -0.096 174.717 174.900 -0.143 0.000 0.984 763 G CA 0.109 45.130 45.100 -0.132 0.000 0.660 763 G HN 0.529 nan 8.290 nan 0.000 0.525 764 F N -0.807 119.310 119.950 0.279 0.000 2.507 764 F HA 0.658 5.199 4.527 0.024 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 1.570 40.653 39.000 0.139 0.000 1.192 764 F HN 0.043 nan 8.300 nan 0.000 0.476 765 L N 1.991 123.234 121.223 0.033 0.000 2.433 765 L HA 0.191 4.546 4.340 0.024 0.000 0.284 765 L C 0.758 177.510 176.870 -0.196 0.000 1.120 765 L CA 0.396 54.916 54.840 -0.533 0.000 0.879 765 L CB 0.299 41.896 42.059 -0.771 0.000 1.232 765 L HN 0.687 nan 8.230 nan 0.000 0.454 766 S N 2.587 118.199 115.700 -0.147 0.000 2.446 766 S HA 0.105 4.590 4.470 0.024 0.000 0.225 766 S C 0.553 175.053 174.600 -0.166 0.000 1.016 766 S CA 0.349 58.506 58.200 -0.071 0.000 0.943 766 S CB -0.150 63.051 63.200 0.002 0.000 0.786 766 S HN 0.743 nan 8.310 nan 0.000 0.508 767 Q N -0.199 119.454 119.800 -0.245 0.000 2.702 767 Q HA 0.664 5.018 4.340 0.024 0.000 0.289 767 Q C -1.725 173.982 176.000 -0.490 0.000 0.923 767 Q CA -0.601 54.943 55.803 -0.432 0.000 0.787 767 Q CB 1.473 29.860 28.738 -0.584 0.000 1.476 767 Q HN 0.345 nan 8.270 nan 0.000 0.402 768 M N 0.862 120.024 119.600 -0.729 0.000 2.413 768 M HA 0.741 5.236 4.480 0.024 0.000 0.287 768 M C -2.099 173.806 176.300 -0.657 0.000 1.186 768 M CA -0.211 54.747 55.300 -0.570 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 4.035 125.123 121.300 -0.352 0.000 2.844 769 W HA 0.618 5.293 4.660 0.024 0.000 0.340 769 W C -1.555 174.764 176.519 -0.333 0.000 1.093 769 W CA -0.860 56.323 57.345 -0.270 0.000 1.212 769 W CB 2.005 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 2.736 123.316 120.570 0.016 0.000 2.405 770 I HA 0.408 4.592 4.170 0.024 0.000 0.280 770 I C 0.749 176.861 176.117 -0.008 0.000 1.027 770 I CA 0.686 61.943 61.300 -0.072 0.000 1.161 770 I CB 0.749 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 5.205 113.992 108.800 -0.021 0.000 2.514 771 G HA2 -0.306 3.668 3.960 0.024 0.000 0.265 771 G HA3 -0.306 3.668 3.960 0.024 0.000 0.265 771 G C 0.358 175.275 174.900 0.028 0.000 1.150 771 G CA 0.405 45.497 45.100 -0.013 0.000 0.959 771 G HN 0.597 nan 8.290 nan 0.000 0.556 772 D N 1.007 121.436 120.400 0.047 0.000 2.354 772 D HA 0.218 4.872 4.640 0.024 0.000 0.209 772 D C 0.777 177.222 176.300 0.241 0.000 1.015 772 D CA 0.743 54.794 54.000 0.085 0.000 0.867 772 D CB -0.013 40.803 40.800 0.026 0.000 0.933 772 D HN 0.613 nan 8.370 nan 0.000 0.520 773 K N 0.940 121.449 120.400 0.181 0.000 2.258 773 K HA 0.367 4.702 4.320 0.024 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 33.797 32.500 0.011 0.000 1.046 773 K HN -0.191 nan 8.250 nan 0.000 0.474 774 K N 1.788 122.082 120.400 -0.176 0.000 2.154 774 K HA 0.093 4.428 4.320 0.024 0.000 0.264 774 K C 0.726 177.130 176.600 -0.326 0.000 1.008 774 K CA -0.260 55.691 56.287 -0.559 0.000 0.937 774 K CB 0.754 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 0.984 120.567 119.800 -0.361 0.000 2.391 775 Q HA 0.205 4.560 4.340 0.024 0.000 0.243 775 Q C 0.077 175.988 176.000 -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 4.737 4.340 0.024 0.000 0.269 776 L C 1.093 177.836 176.870 -0.211 0.000 1.034 776 L CA -0.343 54.380 54.840 -0.194 0.000 0.806 776 L CB 1.107 43.049 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 4.624 4.340 0.024 0.000 0.242 777 L C -0.023 176.740 176.870 -0.179 0.000 1.103 777 L CA 0.440 55.159 54.840 -0.203 0.000 0.906 777 L CB 0.814 42.734 42.059 -0.232 0.000 1.228 777 L HN 0.618 nan 8.230 nan 0.000 0.517 778 T N 0.520 114.953 114.554 -0.201 0.000 2.933 778 T HA 0.391 4.756 4.350 0.024 0.000 0.305 778 T C -2.699 171.941 174.700 -0.100 0.000 1.092 778 T CA -1.074 60.947 62.100 -0.133 0.000 1.008 778 T CB 2.717 71.495 68.868 -0.150 0.000 1.102 778 T HN -0.265 nan 8.240 nan 0.000 0.469 779 P HA 0.187 nan 4.420 nan 0.000 0.269 779 P C -0.544 176.728 177.300 -0.046 0.000 1.215 779 P CA -0.722 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 3.926 125.153 121.223 0.007 0.000 2.369 780 L HA 0.228 4.583 4.340 0.024 0.000 0.279 780 L C 0.510 177.308 176.870 -0.119 0.000 1.108 780 L CA 0.506 55.373 54.840 0.044 0.000 0.852 780 L CB -0.647 41.541 42.059 0.215 0.000 1.169 780 L HN 0.415 nan 8.230 nan 0.000 0.452 781 R N 1.922 122.278 120.500 -0.240 0.000 2.799 781 R HA 0.630 4.985 4.340 0.024 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 0.633 30.165 30.300 -1.279 0.000 1.228 781 R HN 0.374 nan 8.270 nan 0.000 0.469 782 D N 1.120 121.388 120.400 -0.220 0.000 2.443 782 D HA 0.021 4.676 4.640 0.024 0.000 0.239 782 D C -0.652 175.242 176.300 -0.678 0.000 1.136 782 D CA 0.490 54.249 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 1.551 120.778 119.800 -0.955 0.000 2.304 783 Q HA 0.364 4.718 4.340 0.024 0.000 0.270 783 Q C -1.071 174.223 176.000 -1.177 0.000 1.035 783 Q CA -0.610 54.686 55.803 -0.845 0.000 0.781 783 Q CB 0.791 29.257 28.738 -0.453 0.000 1.261 783 Q HN 0.538 nan 8.270 nan 0.000 0.444 784 F N 0.511 120.106 119.950 -0.591 0.000 2.746 784 F HA 0.188 4.729 4.527 0.024 0.000 0.320 784 F C 0.727 176.114 175.800 -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 0.429 nan 8.300 nan 0.000 0.562 785 T N -0.613 113.677 114.554 -0.440 0.000 2.883 785 T HA 0.823 5.187 4.350 0.024 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 2.599 71.099 68.868 -0.615 0.000 1.220 785 T HN 0.261 nan 8.240 nan 0.000 0.552 786 R N -0.755 119.562 120.500 -0.304 0.000 2.643 786 R HA 0.709 5.063 4.340 0.024 0.000 0.269 786 R C -1.266 175.082 176.300 0.079 0.000 1.037 786 R CA -1.107 54.928 56.100 -0.108 0.000 0.894 786 R CB 1.264 31.486 30.300 -0.129 0.000 1.238 786 R HN 0.862 nan 8.270 nan 0.000 0.459 787 A N 3.782 126.637 122.820 0.058 0.000 2.444 787 A HA 0.333 4.667 4.320 0.024 0.000 0.287 787 A C -2.045 175.600 177.584 0.100 0.000 1.195 787 A CA -1.436 50.639 52.037 0.063 0.000 0.858 787 A CB -0.504 18.483 19.000 -0.022 0.000 1.117 787 A HN 0.552 nan 8.150 nan 0.000 0.521 788 P HA -0.007 nan 4.420 nan 0.000 0.259 788 P C -0.280 177.133 177.300 0.188 0.000 1.155 788 P CA 0.720 63.976 63.100 0.260 0.000 0.759 788 P CB 0.120 31.995 31.700 0.292 0.000 0.753 789 L N 2.587 123.887 121.223 0.129 0.000 2.468 789 L HA 0.216 4.570 4.340 0.024 0.000 0.254 789 L C 1.800 178.691 176.870 0.034 0.000 1.171 789 L CA -0.535 54.324 54.840 0.031 0.000 0.809 789 L CB 0.050 42.052 42.059 -0.095 0.000 1.155 789 L HN 0.269 nan 8.230 nan 0.000 0.473 790 D N 0.378 120.738 120.400 -0.066 0.000 2.133 790 D HA -0.176 4.479 4.640 0.024 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 1.032 119.697 118.700 -0.058 0.000 2.244 791 N HA -0.109 4.645 4.740 0.024 0.000 0.183 791 N C 1.198 176.738 175.510 0.051 0.000 1.016 791 N CA 0.734 53.780 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 0.466 120.912 120.400 0.076 0.000 2.224 792 D HA -0.001 4.654 4.640 0.024 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 0.141 0.000 0.852 792 D CB 0.116 41.081 40.800 0.276 0.000 0.947 792 D HN 0.336 nan 8.370 nan 0.000 0.494 793 I N 0.208 120.827 120.570 0.082 0.000 2.429 793 I HA 0.069 4.253 4.170 0.024 0.000 0.247 793 I C 1.840 177.991 176.117 0.056 0.000 1.099 793 I CA 0.752 62.087 61.300 0.058 0.000 1.422 793 I CB -0.346 37.663 38.000 0.014 0.000 1.112 793 I HN 0.084 nan 8.210 nan 0.000 0.430 794 G N 1.091 109.935 108.800 0.074 0.000 2.531 794 G HA2 -0.317 3.657 3.960 0.024 0.000 0.274 794 G HA3 -0.317 3.657 3.960 0.024 0.000 0.274 794 G C 0.588 175.661 174.900 0.289 0.000 1.159 794 G CA 0.586 45.789 45.100 0.173 0.000 0.969 794 G HN 0.570 nan 8.290 nan 0.000 0.554 795 V N -1.923 118.116 119.914 0.208 0.000 3.444 795 V HA 0.625 4.760 4.120 0.024 0.000 0.308 795 V C 1.225 177.354 176.094 0.058 0.000 1.371 795 V CA 1.158 63.534 62.300 0.126 0.000 1.141 795 V CB 0.164 31.948 31.823 -0.066 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 0.311 4.795 4.470 0.024 0.000 0.286 796 S C -0.086 174.537 174.600 0.038 0.000 1.299 796 S CA 0.122 58.339 58.200 0.028 0.000 1.067 796 S CB 0.436 63.649 63.200 0.021 0.000 0.864 796 S HN 0.793 nan 8.310 nan 0.000 0.494 797 E N 1.863 122.079 120.200 0.025 0.000 2.378 797 E HA 0.678 5.043 4.350 0.024 0.000 0.265 797 E C 0.614 177.231 176.600 0.029 0.000 0.932 797 E CA -0.301 56.118 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 0.172 123.014 122.820 0.037 0.000 1.930 798 A HA -0.133 4.201 4.320 0.024 0.000 0.217 798 A C 1.799 179.398 177.584 0.024 0.000 1.175 798 A CA 2.203 54.261 52.037 0.034 0.000 0.627 798 A CB -0.834 18.191 19.000 0.041 0.000 0.815 798 A HN 0.650 nan 8.150 nan 0.000 0.443 799 T N -0.564 114.002 114.554 0.021 0.000 2.588 799 T HA -0.069 4.295 4.350 0.024 0.000 0.261 799 T C 1.248 175.950 174.700 0.004 0.000 1.069 799 T CA 1.045 63.153 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 1.045 121.543 120.500 -0.003 0.000 2.369 800 R HA 0.389 4.743 4.340 0.024 0.000 0.310 800 R C -1.204 175.090 176.300 -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 2.312 122.877 120.570 -0.008 0.000 2.556 801 I HA -0.085 4.100 4.170 0.024 0.000 0.284 801 I C 0.287 176.391 176.117 -0.021 0.000 1.114 801 I CA 0.394 61.690 61.300 -0.008 0.000 1.418 801 I CB 0.796 38.794 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 4.947 4.640 0.024 0.000 0.221 802 D C -1.768 174.495 176.300 -0.062 0.000 1.112 802 D CA -2.284 51.692 54.000 -0.040 0.000 0.911 802 D CB 1.092 41.873 40.800 -0.031 0.000 1.019 802 D HN 0.201 nan 8.370 nan 0.000 0.516 803 P HA -0.112 nan 4.420 nan 0.000 0.226 803 P C 0.767 177.977 177.300 -0.150 0.000 1.146 803 P CA 0.701 63.746 63.100 -0.091 0.000 0.773 803 P CB 0.416 32.070 31.700 -0.077 0.000 0.772 804 N N -0.619 117.984 118.700 -0.162 0.000 2.405 804 N HA 0.072 4.827 4.740 0.024 0.000 0.175 804 N C 0.668 175.984 175.510 -0.323 0.000 1.051 804 N CA 0.080 52.984 53.050 -0.243 0.000 0.899 804 N CB -0.047 38.323 38.487 -0.195 0.000 1.000 804 N HN 0.026 nan 8.380 nan 0.000 0.451 805 A N 0.297 122.989 122.820 -0.213 0.000 2.565 805 A HA -0.059 4.276 4.320 0.024 0.000 0.237 805 A C 0.841 178.243 177.584 -0.303 0.000 1.053 805 A CA -0.152 51.774 52.037 -0.185 0.000 0.755 805 A CB -0.174 18.783 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 -0.222 4.452 4.660 0.023 0.000 0.315 806 W C 2.269 178.216 176.519 -0.953 0.000 1.233 806 W CA 1.925 58.755 57.345 -0.859 0.000 1.261 806 W CB -0.419 28.421 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 3.826 4.120 0.024 0.000 0.250 807 V C 2.273 178.474 176.094 0.178 0.000 1.060 807 V CA 2.285 64.715 62.300 0.216 0.000 1.042 807 V CB -0.467 31.525 31.823 0.282 0.000 0.650 807 V HN 0.084 nan 8.190 nan 0.000 0.450 808 E N 0.149 120.358 120.200 0.016 0.000 2.058 808 E HA -0.211 4.154 4.350 0.024 0.000 0.194 808 E C 2.353 178.934 176.600 -0.031 0.000 0.997 808 E CA 1.572 57.972 56.400 0.000 0.000 0.801 808 E CB -0.439 29.228 29.700 -0.055 0.000 0.746 808 E HN 0.641 nan 8.360 nan 0.000 0.450 809 R N -0.308 120.092 120.500 -0.166 0.000 2.083 809 R HA -0.148 4.207 4.340 0.024 0.000 0.237 809 R C 2.343 178.590 176.300 -0.090 0.000 1.137 809 R CA 1.329 57.306 56.100 -0.204 0.000 0.951 809 R CB -0.373 29.691 30.300 -0.393 0.000 0.851 809 R HN 0.280 nan 8.270 nan 0.000 0.434 810 W N 1.702 122.970 121.300 -0.053 0.000 2.355 810 W HA -0.053 4.621 4.660 0.024 0.000 0.309 810 W C 2.136 178.604 176.519 -0.085 0.000 1.206 810 W CA 0.498 57.720 57.345 -0.205 0.000 1.284 810 W CB -0.749 28.716 29.460 0.009 0.000 1.145 810 W HN 0.104 nan 8.180 nan 0.000 0.502 811 K N 0.118 120.754 120.400 0.393 0.000 1.991 811 K HA -0.157 4.177 4.320 0.024 0.000 0.212 811 K C 2.240 178.915 176.600 0.124 0.000 1.049 811 K CA 2.134 58.615 56.287 0.324 0.000 0.932 811 K CB -0.707 31.930 32.500 0.229 0.000 0.717 811 K HN -0.014 nan 8.250 nan 0.000 0.441 812 A N 0.903 123.762 122.820 0.065 0.000 2.024 812 A HA -0.136 4.198 4.320 0.024 0.000 0.220 812 A C 2.136 179.715 177.584 -0.008 0.000 1.164 812 A CA 1.944 53.998 52.037 0.028 0.000 0.643 812 A CB -0.555 18.447 19.000 0.003 0.000 0.806 812 A HN 0.393 nan 8.150 nan 0.000 0.451 813 A N -2.305 120.472 122.820 -0.071 0.000 2.218 813 A HA 0.422 4.757 4.320 0.024 0.000 0.209 813 A C 1.811 179.274 177.584 -0.201 0.000 1.168 813 A CA 1.185 53.165 52.037 -0.095 0.000 0.804 813 A CB -0.661 18.246 19.000 -0.155 0.000 0.834 813 A HN 1.846 nan 8.150 nan 0.000 0.482 814 G N -1.555 107.021 108.800 -0.373 0.000 2.175 814 G HA2 -0.305 3.670 3.960 0.024 0.000 0.244 814 G HA3 -0.305 3.670 3.960 0.024 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 -1.060 117.958 119.070 -0.086 0.000 2.357 815 H HA -0.176 4.394 4.556 0.024 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 29.624 29.762 -0.181 0.000 1.367 815 H HN 0.599 nan 8.280 nan 0.000 0.498 816 Y N 0.685 121.104 120.300 0.199 0.000 2.509 816 Y HA -0.099 4.465 4.550 0.024 0.000 0.293 816 Y C 1.858 177.843 175.900 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 -0.523 119.443 119.800 0.277 0.000 2.106 817 Q HA 0.445 4.799 4.340 0.024 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 1.351 124.366 122.820 0.325 0.000 2.351 818 A HA 0.366 4.701 4.320 0.024 0.000 0.257 818 A C -0.172 177.674 177.584 0.436 0.000 1.087 818 A CA -0.151 52.122 52.037 0.393 0.000 0.798 818 A CB 0.453 19.694 19.000 0.401 0.000 1.033 818 A HN 0.402 nan 8.150 nan 0.000 0.488 819 E N 0.731 121.128 120.200 0.329 0.000 2.171 819 E HA 0.503 4.867 4.350 0.024 0.000 0.271 819 E C -0.135 176.467 176.600 0.002 0.000 0.916 819 E CA -0.637 55.886 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 2.366 820 A HA 0.597 4.931 4.320 0.024 0.000 0.250 820 A C -0.256 177.189 177.584 -0.230 0.000 1.099 820 A CA 0.044 51.749 52.037 -0.554 0.000 0.794 820 A CB 0.472 19.200 19.000 -0.453 0.000 1.056 820 A HN 0.640 nan 8.150 nan 0.000 0.499 821 A N 0.877 123.548 122.820 -0.248 0.000 2.466 821 A HA 0.517 4.852 4.320 0.024 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 0.652 19.593 19.000 -0.099 0.000 1.274 821 A HN 1.023 nan 8.150 nan 0.000 0.412 822 L N 3.548 124.609 121.223 -0.269 0.000 2.534 822 L HA 0.192 4.546 4.340 0.024 0.000 0.271 822 L C 0.642 177.361 176.870 -0.253 0.000 1.178 822 L CA 0.199 54.788 54.840 -0.418 0.000 0.907 822 L CB 0.069 41.941 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 4.573 4.340 0.024 0.000 0.215 823 L C 0.527 177.338 176.870 -0.098 0.000 1.065 823 L CA 0.115 54.882 54.840 -0.122 0.000 0.842 823 L CB 0.166 42.187 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 4.733 4.340 0.024 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 2.898 122.199 119.300 0.002 0.000 2.968 825 C HA 0.732 5.206 4.460 0.024 0.000 0.389 825 C C -1.248 173.825 174.990 0.138 0.000 1.068 825 C CA 0.697 59.755 59.018 0.067 0.000 1.272 825 C CB 0.561 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 5.247 4.350 0.024 0.000 0.299 826 T C -0.474 173.995 174.700 -0.385 0.000 1.093 826 T CA -0.120 61.931 62.100 -0.081 0.000 1.002 826 T CB 1.894 70.731 68.868 -0.051 0.000 1.127 826 T HN 1.729 nan 8.240 nan 0.000 0.488 827 A N 2.027 124.481 122.820 -0.609 0.000 2.350 827 A HA 0.796 5.131 4.320 0.024 0.000 0.324 827 A C -0.941 176.426 177.584 -0.361 0.000 1.118 827 A CA -0.659 50.942 52.037 -0.728 0.000 0.783 827 A CB 1.154 19.375 19.000 -1.299 0.000 1.236 827 A HN 0.886 nan 8.150 nan 0.000 0.457 828 D N 0.355 120.588 120.400 -0.278 0.000 2.756 828 D HA 0.500 5.154 4.640 0.024 0.000 0.226 828 D C -1.132 175.085 176.300 -0.139 0.000 1.186 828 D CA 0.022 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 2.029 116.528 114.554 -0.091 0.000 2.758 829 T HA 0.380 4.744 4.350 0.024 0.000 0.285 829 T C 0.014 174.681 174.700 -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 2.170 123.357 121.223 -0.060 0.000 2.400 830 L HA 0.574 4.929 4.340 0.024 0.000 0.264 830 L C 1.801 178.649 176.870 -0.036 0.000 1.061 830 L CA -0.394 54.418 54.840 -0.047 0.000 0.799 830 L CB 0.072 42.100 42.059 -0.053 0.000 1.240 830 L HN 0.735 nan 8.230 nan 0.000 0.461 831 A N 1.314 124.118 122.820 -0.027 0.000 1.903 831 A HA -0.197 4.137 4.320 0.024 0.000 0.219 831 A C 0.974 178.545 177.584 -0.022 0.000 1.191 831 A CA 2.291 54.316 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 -2.695 117.686 120.400 -0.032 0.000 2.563 832 D HA 0.574 5.228 4.640 0.024 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 40.573 40.800 -0.034 0.000 1.066 832 D HN 0.607 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 4.943 4.320 0.024 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 4.810 4.120 0.024 0.000 0.299 834 V C -0.823 175.159 176.094 -0.187 0.000 1.040 834 V CA -0.488 61.710 62.300 -0.169 0.000 0.913 834 V CB 1.447 33.153 31.823 -0.195 0.000 0.992 834 V HN 0.838 nan 8.190 nan 0.000 0.449 835 L N 5.656 126.762 121.223 -0.195 0.000 2.342 835 L HA 0.631 4.985 4.340 0.024 0.000 0.276 835 L C -0.838 175.880 176.870 -0.253 0.000 0.997 835 L CA -0.021 54.711 54.840 -0.180 0.000 0.838 835 L CB 1.132 43.117 42.059 -0.123 0.000 1.224 835 L HN 0.391 nan 8.230 nan 0.000 0.416 836 I N 3.626 124.032 120.570 -0.273 0.000 2.428 836 I HA 0.555 4.739 4.170 0.024 0.000 0.296 836 I C 0.251 176.315 176.117 -0.088 0.000 0.985 836 I CA -0.411 60.675 61.300 -0.356 0.000 1.260 836 I CB 1.618 39.184 38.000 -0.723 0.000 1.389 836 I HN 0.539 nan 8.210 nan 0.000 0.484 837 T N 4.277 118.786 114.554 -0.075 0.000 2.879 837 T HA 0.624 4.988 4.350 0.024 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 1.678 70.542 68.868 -0.005 0.000 0.981 837 T HN 0.813 nan 8.240 nan 0.000 0.439 838 T N -0.274 114.382 114.554 0.170 0.000 2.888 838 T HA 0.930 5.295 4.350 0.024 0.000 0.288 838 T C -1.129 173.670 174.700 0.165 0.000 1.063 838 T CA -1.135 61.062 62.100 0.162 0.000 1.010 838 T CB 2.087 71.144 68.868 0.316 0.000 1.214 838 T HN 0.848 nan 8.240 nan 0.000 0.533 839 A N 1.259 124.127 122.820 0.080 0.000 2.500 839 A HA 0.679 5.013 4.320 0.024 0.000 0.291 839 A C -1.554 176.019 177.584 -0.019 0.000 1.048 839 A CA -0.798 51.324 52.037 0.142 0.000 0.791 839 A CB 0.615 19.665 19.000 0.084 0.000 1.309 839 A HN 0.964 nan 8.150 nan 0.000 0.397 840 H N 0.346 119.473 119.070 0.095 0.000 2.834 840 H HA 0.867 5.437 4.556 0.024 0.000 0.369 840 H C 0.080 175.421 175.328 0.021 0.000 1.174 840 H CA 0.004 56.001 56.048 -0.084 0.000 1.165 840 H CB 2.029 31.530 29.762 -0.435 0.000 1.820 840 H HN 1.024 nan 8.280 nan 0.000 0.558 841 A N 1.179 124.015 122.820 0.025 0.000 2.343 841 A HA 0.454 4.789 4.320 0.024 0.000 0.316 841 A C -1.330 176.291 177.584 0.061 0.000 1.104 841 A CA -0.725 51.403 52.037 0.153 0.000 0.768 841 A CB 1.083 20.143 19.000 0.100 0.000 1.213 841 A HN 0.561 nan 8.150 nan 0.000 0.456 842 W N 2.108 123.509 121.300 0.169 0.000 2.433 842 W HA 0.463 5.138 4.660 0.024 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 0.217 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 4.825 4.340 0.024 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 4.613 4.556 0.024 0.000 0.334 844 H C -0.867 174.488 175.328 0.045 0.000 1.000 844 H CA -0.111 55.976 56.048 0.065 0.000 1.415 844 H CB 1.064 30.877 29.762 0.084 0.000 1.819 844 H HN 0.844 nan 8.280 nan 0.000 0.486 845 Q N 3.115 122.757 119.800 -0.263 0.000 2.468 845 Q HA -0.185 4.169 4.340 0.024 0.000 0.289 845 Q C 0.850 176.819 176.000 -0.051 0.000 1.299 845 Q CA 1.209 56.901 55.803 -0.186 0.000 0.838 845 Q CB -2.321 26.292 28.738 -0.208 0.000 1.195 845 Q HN 1.176 nan 8.270 nan 0.000 0.456 846 G N -0.351 108.437 108.800 -0.020 0.000 2.153 846 G HA2 -0.355 3.619 3.960 0.024 0.000 0.252 846 G HA3 -0.355 3.619 3.960 0.024 0.000 0.252 846 G C -0.017 174.894 174.900 0.018 0.000 0.994 846 G CA 0.771 45.873 45.100 0.003 0.000 0.698 846 G HN 0.466 nan 8.290 nan 0.000 0.521 847 K N 1.065 121.485 120.400 0.033 0.000 2.274 847 K HA 0.652 4.987 4.320 0.024 0.000 0.262 847 K C 0.079 176.693 176.600 0.024 0.000 0.961 847 K CA -0.398 55.909 56.287 0.034 0.000 0.833 847 K CB 0.998 33.527 32.500 0.049 0.000 1.102 847 K HN -0.015 nan 8.250 nan 0.000 0.436 848 T N 6.265 120.825 114.554 0.010 0.000 2.723 848 T HA 0.219 4.584 4.350 0.024 0.000 0.297 848 T C 1.198 175.843 174.700 -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 0.497 nan 8.240 nan 0.000 0.502 849 L N 2.429 123.490 121.223 -0.269 0.000 2.034 849 L HA 0.265 4.620 4.340 0.024 0.000 0.203 849 L C 0.165 176.634 176.870 -0.667 0.000 1.074 849 L CA 1.193 55.625 54.840 -0.680 0.000 0.748 849 L CB -0.115 41.081 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 5.158 4.527 0.024 0.000 0.324 850 F C -0.365 175.540 175.800 0.176 0.000 1.077 850 F CA -0.944 56.989 58.000 -0.111 0.000 0.965 850 F CB 1.942 40.553 39.000 -0.647 0.000 1.351 850 F HN -0.313 nan 8.300 nan 0.000 0.487 851 I N 1.219 122.048 120.570 0.432 0.000 2.534 851 I HA 0.308 4.493 4.170 0.024 0.000 0.288 851 I C -1.040 175.363 176.117 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 5.081 4.470 0.024 0.000 0.310 852 S C -0.690 174.165 174.600 0.426 0.000 1.096 852 S CA -0.659 57.874 58.200 0.556 0.000 1.095 852 S CB 0.813 64.459 63.200 0.743 0.000 1.007 852 S HN 0.592 nan 8.310 nan 0.000 0.474 853 R N 3.764 124.432 120.500 0.280 0.000 2.388 853 R HA 0.477 4.831 4.340 0.024 0.000 0.314 853 R C -0.675 175.699 176.300 0.125 0.000 0.959 853 R CA -0.719 55.506 56.100 0.209 0.000 0.851 853 R CB 1.787 32.185 30.300 0.163 0.000 1.168 853 R HN 0.572 nan 8.270 nan 0.000 0.472 854 K N 0.777 121.256 120.400 0.131 0.000 2.346 854 K HA 0.580 4.915 4.320 0.024 0.000 0.238 854 K C -0.434 176.172 176.600 0.011 0.000 1.039 854 K CA -0.958 55.327 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 -1.344 113.135 114.554 -0.125 0.000 3.032 855 T HA 0.472 4.836 4.350 0.024 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 1.502 121.776 120.300 -0.044 0.000 2.352 856 Y HA 0.730 5.294 4.550 0.024 0.000 0.339 856 Y C 0.575 176.402 175.900 -0.121 0.000 0.992 856 Y CA -1.349 56.730 58.100 -0.036 0.000 1.100 856 Y CB 1.746 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 4.688 125.213 120.500 0.042 0.000 2.473 857 R HA 0.582 4.936 4.340 0.024 0.000 0.303 857 R C -1.937 174.300 176.300 -0.106 0.000 1.002 857 R CA -0.308 55.761 56.100 -0.052 0.000 0.884 857 R CB 0.638 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 4.495 124.940 120.570 -0.208 0.000 2.392 858 I HA 0.270 4.454 4.170 0.024 0.000 0.295 858 I C -0.228 175.755 176.117 -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 3.753 124.050 120.400 -0.170 0.000 2.553 859 D HA 0.255 4.909 4.640 0.024 0.000 0.249 859 D C 1.030 177.279 176.300 -0.084 0.000 1.062 859 D CA -0.740 53.195 54.000 -0.108 0.000 1.085 859 D CB 1.098 41.856 40.800 -0.069 0.000 1.350 859 D HN 0.528 nan 8.370 nan 0.000 0.575 860 G N -0.750 108.010 108.800 -0.068 0.000 2.501 860 G HA2 -0.211 3.764 3.960 0.024 0.000 0.220 860 G HA3 -0.211 3.764 3.960 0.024 0.000 0.220 860 G C 1.039 175.922 174.900 -0.028 0.000 1.114 860 G CA 0.926 45.995 45.100 -0.051 0.000 0.757 860 G HN 0.423 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 4.776 4.470 0.024 0.000 0.228 861 S C 1.736 176.366 174.600 0.051 0.000 0.995 861 S CA 0.659 58.856 58.200 -0.004 0.000 0.934 861 S CB -0.018 63.176 63.200 -0.009 0.000 0.771 861 S HN 1.308 nan 8.310 nan 0.000 0.522 862 G N 1.592 110.434 108.800 0.070 0.000 2.256 862 G HA2 -0.227 3.747 3.960 0.024 0.000 0.272 862 G HA3 -0.227 3.747 3.960 0.024 0.000 0.272 862 G C -0.375 174.653 174.900 0.213 0.000 1.076 862 G CA -0.274 44.951 45.100 0.209 0.000 0.882 862 G HN 0.483 nan 8.290 nan 0.000 0.497 863 Q N -0.542 119.304 119.800 0.077 0.000 2.330 863 Q HA 0.633 4.988 4.340 0.024 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 0.439 120.080 119.600 0.067 0.000 2.268 864 M HA 0.801 5.295 4.480 0.024 0.000 0.344 864 M C -0.872 175.508 176.300 0.133 0.000 1.106 864 M CA -0.772 54.549 55.300 0.035 0.000 1.010 864 M CB 1.701 34.286 32.600 -0.024 0.000 1.649 864 M HN 0.446 nan 8.290 nan 0.000 0.443 865 A N 5.685 128.551 122.820 0.078 0.000 2.258 865 A HA 0.737 5.071 4.320 0.024 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 0.306 19.332 19.000 0.044 0.000 1.170 865 A HN 0.942 nan 8.150 nan 0.000 0.520 866 I N 1.966 122.541 120.570 0.008 0.000 2.353 866 I HA 0.384 4.569 4.170 0.024 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 39.679 38.000 -0.138 0.000 1.387 866 I HN 0.452 nan 8.210 nan 0.000 0.478 867 T N 5.628 120.012 114.554 -0.283 0.000 2.841 867 T HA 0.547 4.912 4.350 0.024 0.000 0.285 867 T C -0.465 174.022 174.700 -0.355 0.000 0.991 867 T CA -0.360 61.578 62.100 -0.271 0.000 0.966 867 T CB 1.894 70.698 68.868 -0.106 0.000 0.962 867 T HN 0.265 nan 8.240 nan 0.000 0.438 868 V N 3.492 123.070 119.914 -0.561 0.000 2.735 868 V HA 0.617 4.751 4.120 0.024 0.000 0.310 868 V C -0.749 175.137 176.094 -0.347 0.000 1.061 868 V CA -0.873 61.121 62.300 -0.511 0.000 0.913 868 V CB 2.274 33.547 31.823 -0.917 0.000 1.005 868 V HN 0.832 nan 8.190 nan 0.000 0.428 869 D N 2.294 122.666 120.400 -0.047 0.000 2.479 869 D HA 0.387 5.041 4.640 0.024 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 0.127 0.000 0.967 869 D CB 2.534 43.445 40.800 0.184 0.000 1.275 869 D HN 0.272 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 4.478 4.120 0.024 0.000 0.298 870 V C 0.326 176.567 176.094 0.246 0.000 1.048 870 V CA -0.492 61.978 62.300 0.283 0.000 0.964 870 V CB 2.120 34.129 31.823 0.310 0.000 1.004 870 V HN 0.409 nan 8.190 nan 0.000 0.466 871 E N 2.086 122.425 120.200 0.232 0.000 2.199 871 E HA 0.608 4.972 4.350 0.024 0.000 0.265 871 E C -1.647 175.085 176.600 0.220 0.000 0.882 871 E CA -0.452 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 2.752 122.796 119.914 0.217 0.000 2.417 872 V HA 0.536 4.671 4.120 0.024 0.000 0.291 872 V C 0.195 176.403 176.094 0.190 0.000 1.024 872 V CA -1.017 61.440 62.300 0.263 0.000 0.861 872 V CB 1.387 33.395 31.823 0.308 0.000 0.985 872 V HN 0.839 nan 8.190 nan 0.000 0.436 873 A N 3.222 126.128 122.820 0.143 0.000 2.488 873 A HA 0.343 4.678 4.320 0.024 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 1.649 117.421 115.700 0.120 0.000 2.387 874 S HA -0.211 4.273 4.470 0.024 0.000 0.230 874 S C 1.018 175.699 174.600 0.135 0.000 1.035 874 S CA 1.846 60.127 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 0.359 120.815 120.400 0.094 0.000 2.370 875 D HA 0.185 4.840 4.640 0.024 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 -0.282 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 0.506 115.126 114.554 0.111 0.000 2.885 876 T HA 0.473 4.838 4.350 0.024 0.000 0.285 876 T C -2.759 172.045 174.700 0.172 0.000 1.019 876 T CA -2.109 60.080 62.100 0.148 0.000 1.010 876 T CB 1.434 70.425 68.868 0.205 0.000 1.022 876 T HN -0.213 nan 8.240 nan 0.000 0.466 877 P HA 0.115 nan 4.420 nan 0.000 0.265 877 P C -0.463 177.123 177.300 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 2.911 122.354 119.070 0.622 0.000 2.848 878 H HA 0.114 4.684 4.556 0.024 0.000 0.341 878 H C -1.922 173.750 175.328 0.574 0.000 1.060 878 H CA -1.875 54.469 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 0.019 0.000 0.784 879 P CB 0.672 32.235 31.700 -0.229 0.000 0.923 880 A N 3.206 125.697 122.820 -0.548 0.000 1.968 880 A HA -0.056 4.278 4.320 0.024 0.000 0.217 880 A C 1.074 178.286 177.584 -0.619 0.000 1.169 880 A CA 1.429 53.114 52.037 -0.587 0.000 0.638 880 A CB -0.513 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 -2.956 117.205 120.500 -0.564 0.000 2.741 881 R HA 0.722 5.077 4.340 0.024 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 -0.525 0.000 0.880 881 R CB 0.561 30.488 30.300 -0.621 0.000 1.264 881 R HN 0.029 nan 8.270 nan 0.000 0.465 882 I N 0.998 121.353 120.570 -0.358 0.000 2.586 882 I HA 0.605 4.790 4.170 0.024 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 5.678 114.217 108.800 -0.435 0.000 2.500 883 G HA2 0.692 4.666 3.960 0.024 0.000 0.299 883 G HA3 0.692 4.666 3.960 0.024 0.000 0.299 883 G C -1.904 172.834 174.900 -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 0.766 121.878 121.223 -0.186 0.000 2.309 884 L HA 0.713 5.068 4.340 0.024 0.000 0.261 884 L C -0.519 176.250 176.870 -0.170 0.000 1.021 884 L CA -1.094 53.646 54.840 -0.166 0.000 0.823 884 L CB 2.486 44.514 42.059 -0.050 0.000 1.366 884 L HN 0.854 nan 8.230 nan 0.000 0.423 885 N N 0.152 118.778 118.700 -0.123 0.000 2.732 885 N HA 0.738 5.492 4.740 0.024 0.000 0.259 885 N C -1.301 174.221 175.510 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 5.047 4.460 0.024 0.000 0.338 886 C C -1.358 173.507 174.990 -0.209 0.000 1.323 886 C CA -0.850 58.169 59.018 0.003 0.000 1.232 886 C CB 0.887 28.634 27.740 0.012 0.000 1.517 886 C HN 0.899 nan 8.230 nan 0.000 0.470 887 Q N 1.440 120.935 119.800 -0.509 0.000 2.347 887 Q HA 0.683 5.038 4.340 0.024 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 2.648 123.686 121.223 -0.309 0.000 2.436 888 L HA 0.322 4.676 4.340 0.024 0.000 0.265 888 L C 1.125 177.908 176.870 -0.145 0.000 1.168 888 L CA -0.207 54.556 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 -0.032 4.303 4.320 0.024 0.000 0.214 889 A C 1.025 178.582 177.584 -0.045 0.000 1.183 889 A CA 0.546 52.527 52.037 -0.093 0.000 0.622 889 A CB -0.211 18.729 19.000 -0.100 0.000 0.824 889 A HN 0.747 nan 8.150 nan 0.000 0.444 890 Q N -1.039 118.764 119.800 0.006 0.000 2.535 890 Q HA 0.493 4.847 4.340 0.024 0.000 0.228 890 Q C -0.746 175.269 176.000 0.025 0.000 1.062 890 Q CA 0.322 56.122 55.803 -0.005 0.000 0.967 890 Q CB 0.652 29.373 28.738 -0.029 0.000 1.273 890 Q HN 0.117 nan 8.270 nan 0.000 0.554 891 V N 0.553 120.448 119.914 -0.032 0.000 2.559 891 V HA 0.680 4.814 4.120 0.024 0.000 0.289 891 V C -0.990 175.057 176.094 -0.079 0.000 1.036 891 V CA -0.663 61.656 62.300 0.031 0.000 0.887 891 V CB 1.503 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 5.086 4.320 0.024 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 1.476 20.115 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 0.006 4.370 4.350 0.024 0.000 0.192 893 E C 0.274 176.959 176.600 0.143 0.000 0.987 893 E CA 0.518 56.970 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 4.895 4.340 0.024 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 1.526 121.634 119.914 0.324 0.000 2.638 895 V HA 0.373 4.507 4.120 0.024 0.000 0.306 895 V C -0.646 175.709 176.094 0.435 0.000 1.052 895 V CA -0.960 61.568 62.300 0.380 0.000 0.885 895 V CB 2.027 34.027 31.823 0.295 0.000 0.999 895 V HN 0.706 nan 8.190 nan 0.000 0.424 896 N N 3.791 122.736 118.700 0.409 0.000 2.295 896 N HA 0.560 5.315 4.740 0.024 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 2.873 41.459 38.487 0.166 0.000 1.468 896 N HN 0.833 nan 8.380 nan 0.000 0.478 897 W N 3.052 124.403 121.300 0.084 0.000 3.137 897 W HA 0.593 5.267 4.660 0.024 0.000 0.324 897 W C -2.076 174.429 176.519 -0.022 0.000 1.253 897 W CA -1.127 56.248 57.345 0.051 0.000 1.183 897 W CB 0.720 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 4.205 125.422 121.223 -0.010 0.000 2.301 898 L HA 0.912 5.266 4.340 0.024 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 3.773 112.375 108.800 -0.329 0.000 2.435 899 G HA2 0.228 4.203 3.960 0.024 0.000 0.228 899 G HA3 0.228 4.203 3.960 0.024 0.000 0.228 899 G C -1.546 173.491 174.900 0.229 0.000 1.198 899 G CA -0.951 44.185 45.100 0.061 0.000 0.948 899 G HN 0.415 nan 8.290 nan 0.000 0.487 900 L N 1.172 122.613 121.223 0.362 0.000 2.349 900 L HA 0.673 5.027 4.340 0.024 0.000 0.275 900 L C 0.972 177.908 176.870 0.110 0.000 1.115 900 L CA 0.439 55.411 54.840 0.219 0.000 0.820 900 L CB 0.743 42.855 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 0.238 4.212 3.960 0.024 0.000 0.296 901 G HA3 0.238 4.212 3.960 0.024 0.000 0.296 901 G C -2.737 171.332 174.900 -1.385 0.000 1.258 901 G CA -0.260 44.351 45.100 -0.816 0.000 0.868 901 G HN 0.298 nan 8.290 nan 0.000 0.488 902 P HA 0.057 nan 4.420 nan 0.000 0.222 902 P C 0.476 177.571 177.300 -0.343 0.000 1.153 902 P CA 0.869 63.310 63.100 -1.099 0.000 0.798 902 P CB 0.031 31.307 31.700 -0.707 0.000 0.796 903 Q N 0.587 120.186 119.800 -0.336 0.000 2.382 903 Q HA 0.186 4.540 4.340 0.024 0.000 0.229 903 Q C 0.377 176.249 176.000 -0.213 0.000 1.006 903 Q CA -0.681 54.996 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 0.109 nan 8.270 nan 0.000 0.512 904 E N 1.050 121.135 120.200 -0.191 0.000 2.558 904 E HA -0.097 4.268 4.350 0.024 0.000 0.255 904 E C -1.115 175.389 176.600 -0.160 0.000 0.968 904 E CA 0.215 56.491 56.400 -0.207 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 3.118 121.636 118.700 -0.303 0.000 2.336 905 N HA 0.291 5.045 4.740 0.024 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 0.773 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 0.639 120.836 120.300 -0.172 0.000 2.631 906 Y HA 0.526 5.090 4.550 0.024 0.000 0.328 906 Y C -1.523 174.279 175.900 -0.163 0.000 1.118 906 Y CA -2.154 55.832 58.100 -0.191 0.000 1.206 906 Y CB 1.327 39.679 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 0.219 177.330 177.300 -0.316 0.000 1.150 907 P CA 1.852 64.909 63.100 -0.073 0.000 0.832 907 P CB 0.196 31.925 31.700 0.049 0.000 0.787 908 D N -2.027 118.034 120.400 -0.565 0.000 2.388 908 D HA 0.039 4.693 4.640 0.024 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 -0.199 39.806 40.800 -1.325 0.000 0.962 908 D HN 0.091 nan 8.370 nan 0.000 0.502 909 R N 1.035 121.468 120.500 -0.111 0.000 2.640 909 R HA 0.177 4.531 4.340 0.024 0.000 0.240 909 R C -0.645 175.672 176.300 0.028 0.000 1.519 909 R CA -0.106 55.997 56.100 0.005 0.000 1.570 909 R CB 0.103 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 -2.200 119.045 121.223 0.035 0.000 3.386 910 L HA 0.317 4.672 4.340 0.024 0.000 0.307 910 L C 1.416 178.335 176.870 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 -2.263 112.368 114.554 0.127 0.000 2.881 911 T HA -0.046 4.318 4.350 0.024 0.000 0.270 911 T C 1.704 176.503 174.700 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 68.700 68.868 0.236 0.000 0.871 911 T HN 0.410 nan 8.240 nan 0.000 0.479 912 A N 1.090 124.010 122.820 0.167 0.000 2.206 912 A HA 0.683 5.017 4.320 0.024 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 -0.730 18.415 19.000 0.242 0.000 0.801 912 A HN 0.834 nan 8.150 nan 0.000 0.473 913 A N -1.134 121.724 122.820 0.065 0.000 2.302 913 A HA 0.528 4.863 4.320 0.024 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 0.229 19.193 19.000 -0.060 0.000 1.067 913 A HN 0.410 nan 8.150 nan 0.000 0.489 914 C N 0.510 119.803 119.300 -0.012 0.000 2.493 914 C HA 0.564 5.038 4.460 0.024 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 0.081 0.000 1.739 914 C CB 0.656 28.448 27.740 0.086 0.000 2.300 914 C HN 0.775 nan 8.230 nan 0.000 0.500 915 F N 3.769 123.583 119.950 -0.226 0.000 2.445 915 F HA 0.520 5.061 4.527 0.024 0.000 0.359 915 F C 0.350 175.889 175.800 -0.434 0.000 1.101 915 F CA 1.160 58.921 58.000 -0.397 0.000 1.177 915 F CB 0.017 38.331 39.000 -1.145 0.000 1.110 915 F HN 0.654 nan 8.300 nan 0.000 0.522 916 D N 3.346 123.137 120.400 -1.014 0.000 2.918 916 D HA 0.125 4.780 4.640 0.024 0.000 0.342 916 D C -1.667 173.688 176.300 -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 0.553 nan 8.370 nan 0.000 0.468 917 R N 0.801 120.437 120.500 -1.439 0.000 2.207 917 R HA 0.537 4.891 4.340 0.024 0.000 0.334 917 R C -1.194 174.253 176.300 -1.421 0.000 1.013 917 R CA -0.334 55.068 56.100 -1.163 0.000 0.858 917 R CB 0.382 30.276 30.300 -0.677 0.000 1.094 917 R HN 0.263 nan 8.270 nan 0.000 0.457 918 W N 2.811 123.544 121.300 -0.945 0.000 2.689 918 W HA 0.387 5.062 4.660 0.024 0.000 0.340 918 W C -0.456 175.681 176.519 -0.637 0.000 1.060 918 W CA -0.676 56.092 57.345 -0.962 0.000 1.218 918 W CB 1.589 29.975 29.460 -1.791 0.000 1.410 918 W HN 0.358 nan 8.180 nan 0.000 0.528 919 D N 2.973 123.318 120.400 -0.092 0.000 2.686 919 D HA 0.552 5.207 4.640 0.024 0.000 0.249 919 D C -1.372 175.020 176.300 0.153 0.000 1.260 919 D CA -0.148 53.889 54.000 0.063 0.000 0.910 919 D CB 1.144 41.948 40.800 0.006 0.000 1.323 919 D HN 0.430 nan 8.370 nan 0.000 0.561 920 L N 2.741 124.127 121.223 0.270 0.000 2.409 920 L HA 0.529 4.883 4.340 0.024 0.000 0.255 920 L C -2.493 174.501 176.870 0.208 0.000 1.027 920 L CA -2.184 52.792 54.840 0.225 0.000 0.834 920 L CB 2.588 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 0.072 nan 4.420 nan 0.000 0.271 921 P C 0.501 177.884 177.300 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 3.876 125.187 121.223 0.146 0.000 2.051 922 L HA -0.265 4.090 4.340 0.024 0.000 0.214 922 L C 2.351 179.279 176.870 0.097 0.000 1.076 922 L CA 2.727 57.641 54.840 0.124 0.000 0.758 922 L CB -1.547 40.600 42.059 0.148 0.000 0.890 922 L HN 0.483 nan 8.230 nan 0.000 0.433 923 S N -1.377 114.383 115.700 0.099 0.000 2.402 923 S HA -0.221 4.263 4.470 0.024 0.000 0.233 923 S C 1.618 176.286 174.600 0.114 0.000 1.030 923 S CA 1.561 59.826 58.200 0.109 0.000 1.003 923 S CB -0.715 62.538 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 0.114 4.769 4.640 0.024 0.000 0.215 924 D C 1.337 177.647 176.300 0.017 0.000 0.976 924 D CA 0.579 54.608 54.000 0.048 0.000 0.884 924 D CB -0.117 40.716 40.800 0.055 0.000 0.915 924 D HN 0.487 nan 8.370 nan 0.000 0.526 925 M N -0.321 119.299 119.600 0.033 0.000 2.568 925 M HA 0.089 4.583 4.480 0.024 0.000 0.226 925 M C -0.144 176.169 176.300 0.021 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 0.215 120.475 120.300 -0.067 0.000 2.391 926 Y HA 0.475 5.040 4.550 0.024 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 39.951 38.460 0.049 0.000 1.199 926 Y HN -0.098 nan 8.280 nan 0.000 0.450 927 T N 8.949 123.009 114.554 -0.823 0.000 2.770 927 T HA 0.270 4.634 4.350 0.024 0.000 0.297 927 T C -2.628 171.235 174.700 -1.395 0.000 0.997 927 T CA -1.505 59.999 62.100 -0.995 0.000 0.949 927 T CB 0.949 69.303 68.868 -0.856 0.000 0.941 927 T HN 0.448 nan 8.240 nan 0.000 0.457 928 P HA 0.083 nan 4.420 nan 0.000 0.238 928 P C -0.593 176.555 177.300 -0.254 0.000 1.714 928 P CA -0.375 62.294 63.100 -0.718 0.000 0.908 928 P CB -0.875 30.569 31.700 -0.426 0.000 1.893 929 Y N -0.298 119.898 120.300 -0.174 0.000 2.729 929 Y HA -0.092 4.472 4.550 0.024 0.000 0.331 929 Y C 2.227 178.158 175.900 0.051 0.000 1.208 929 Y CA -0.606 57.465 58.100 -0.049 0.000 1.521 929 Y CB 0.420 38.803 38.460 -0.128 0.000 1.233 929 Y HN -0.110 nan 8.280 nan 0.000 0.539 930 V N 4.097 124.212 119.914 0.334 0.000 2.370 930 V HA -0.336 3.798 4.120 0.024 0.000 0.252 930 V C 0.640 176.899 176.094 0.276 0.000 1.068 930 V CA 1.618 64.100 62.300 0.302 0.000 1.061 930 V CB -0.643 31.395 31.823 0.360 0.000 0.656 930 V HN 0.631 nan 8.190 nan 0.000 0.455 931 F N 3.395 123.396 119.950 0.085 0.000 2.303 931 F HA 0.513 5.055 4.527 0.024 0.000 0.368 931 F C -2.333 173.471 175.800 0.007 0.000 1.105 931 F CA -3.380 54.626 58.000 0.010 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 -0.813 176.221 177.300 -0.444 0.000 1.187 932 P CA 0.295 63.185 63.100 -0.348 0.000 0.766 932 P CB 1.112 32.627 31.700 -0.308 0.000 0.820 933 S N 0.175 115.789 115.700 -0.143 0.000 2.661 933 S HA 0.414 4.899 4.470 0.024 0.000 0.268 933 S C -0.885 173.717 174.600 0.003 0.000 1.162 933 S CA -0.995 57.165 58.200 -0.067 0.000 0.817 933 S CB 0.522 63.722 63.200 0.000 0.000 1.141 933 S HN 0.364 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 4.729 4.350 0.024 0.000 0.259 934 E C -0.113 176.541 176.600 0.090 0.000 0.966 934 E CA 0.863 57.294 56.400 0.052 0.000 0.937 934 E CB -0.246 29.506 29.700 0.086 0.000 0.923 934 E HN 0.795 nan 8.360 nan 0.000 0.468 935 N N 1.561 120.341 118.700 0.134 0.000 3.116 935 N HA 0.508 5.262 4.740 0.024 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 0.850 39.437 38.487 0.167 0.000 1.415 935 N HN 0.685 nan 8.380 nan 0.000 0.524 936 G N -1.309 107.496 108.800 0.009 0.000 2.179 936 G HA2 -0.272 3.702 3.960 0.024 0.000 0.260 936 G HA3 -0.272 3.702 3.960 0.024 0.000 0.260 936 G C -0.129 174.517 174.900 -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 1.223 122.130 121.223 -0.527 0.000 2.529 937 L HA 0.400 4.755 4.340 0.024 0.000 0.287 937 L C 0.892 177.184 176.870 -0.963 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 0.345 nan 8.230 nan 0.000 0.504 938 R N 3.815 123.664 120.500 -1.084 0.000 2.502 938 R HA 0.440 4.795 4.340 0.024 0.000 0.300 938 R C -1.037 174.883 176.300 -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 30.495 30.300 -0.919 0.000 1.180 938 R HN 0.575 nan 8.270 nan 0.000 0.444 939 C N -0.089 118.977 119.300 -0.389 0.000 2.352 939 C HA 0.627 5.101 4.460 0.024 0.000 0.387 939 C C 1.569 176.509 174.990 -0.084 0.000 1.294 939 C CA 0.269 59.144 59.018 -0.240 0.000 2.137 939 C CB 0.733 28.359 27.740 -0.189 0.000 2.146 939 C HN 1.074 nan 8.230 nan 0.000 0.559 940 G N 1.603 110.370 108.800 -0.056 0.000 2.341 940 G HA2 -0.194 3.780 3.960 0.024 0.000 0.292 940 G HA3 -0.194 3.780 3.960 0.024 0.000 0.292 940 G C -0.021 174.916 174.900 0.061 0.000 1.021 940 G CA 0.602 45.722 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 4.813 4.350 0.024 0.000 0.295 941 T C 1.575 175.993 174.700 -0.469 0.000 0.987 941 T CA -0.221 61.725 62.100 -0.256 0.000 1.109 941 T CB 1.303 69.977 68.868 -0.324 0.000 0.932 941 T HN 0.375 nan 8.240 nan 0.000 0.518 942 R N 1.100 121.546 120.500 -0.090 0.000 2.279 942 R HA 0.233 4.587 4.340 0.024 0.000 0.195 942 R C 0.441 176.829 176.300 0.147 0.000 0.905 942 R CA 0.175 56.305 56.100 0.050 0.000 1.044 942 R CB 0.772 31.209 30.300 0.229 0.000 1.056 942 R HN 0.695 nan 8.270 nan 0.000 0.535 943 E N 0.849 121.138 120.200 0.147 0.000 2.388 943 E HA 0.246 4.610 4.350 0.024 0.000 0.289 943 E C -2.082 174.679 176.600 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 3.756 125.184 121.223 0.341 0.000 2.408 944 L HA 0.654 5.008 4.340 0.024 0.000 0.268 944 L C -1.914 175.178 176.870 0.369 0.000 0.986 944 L CA -0.375 54.611 54.840 0.243 0.000 0.820 944 L CB 2.044 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 4.023 122.911 118.700 0.313 0.000 2.399 945 N HA 0.398 5.153 4.740 0.024 0.000 0.284 945 N C -2.074 173.685 175.510 0.415 0.000 1.025 945 N CA -0.240 53.003 53.050 0.322 0.000 0.885 945 N CB 2.127 40.736 38.487 0.203 0.000 1.339 945 N HN 0.609 nan 8.380 nan 0.000 0.487 946 Y N 1.232 121.712 120.300 0.300 0.000 2.362 946 Y HA 0.412 4.977 4.550 0.024 0.000 0.326 946 Y C 0.764 176.805 175.900 0.235 0.000 1.083 946 Y CA 0.118 58.378 58.100 0.266 0.000 1.073 946 Y CB 0.838 39.491 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 -0.130 0.000 2.622 947 G HA2 -0.310 3.664 3.960 0.024 0.000 0.307 947 G HA3 -0.310 3.664 3.960 0.024 0.000 0.307 947 G C -1.725 173.109 174.900 -0.110 0.000 1.226 947 G CA 0.282 45.276 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 0.116 177.136 177.300 -0.467 0.000 1.248 948 P CA 0.633 63.533 63.100 -0.332 0.000 0.807 948 P CB -0.016 31.411 31.700 -0.455 0.000 1.150 949 H N 0.040 119.054 119.070 -0.093 0.000 2.502 949 H HA 0.548 5.119 4.556 0.024 0.000 0.338 949 H C 0.219 175.288 175.328 -0.432 0.000 1.155 949 H CA -0.397 55.448 56.048 -0.337 0.000 1.237 949 H CB 1.295 30.640 29.762 -0.696 0.000 1.534 949 H HN -0.082 nan 8.280 nan 0.000 0.523 950 Q N 2.860 122.390 119.800 -0.450 0.000 2.271 950 Q HA 0.233 4.588 4.340 0.024 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 1.667 30.401 28.738 -0.006 0.000 1.282 950 Q HN 0.622 nan 8.270 nan 0.000 0.431 951 W N 3.806 125.082 121.300 -0.039 0.000 2.666 951 W HA 0.615 5.289 4.660 0.024 0.000 0.334 951 W C -0.152 176.428 176.519 0.102 0.000 1.051 951 W CA -0.891 56.396 57.345 -0.097 0.000 1.224 951 W CB 2.079 31.297 29.460 -0.402 0.000 1.405 951 W HN 0.546 nan 8.180 nan 0.000 0.513 952 R N 0.818 121.542 120.500 0.374 0.000 2.686 952 R HA 0.760 5.114 4.340 0.024 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 2.339 32.793 30.300 0.256 0.000 1.192 952 R HN 0.772 nan 8.270 nan 0.000 0.457 953 G N 0.951 110.033 108.800 0.470 0.000 2.491 953 G HA2 -0.051 3.923 3.960 0.024 0.000 0.183 953 G HA3 -0.051 3.923 3.960 0.024 0.000 0.183 953 G C -1.834 173.253 174.900 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 0.582 121.165 120.400 0.305 0.000 2.420 954 D HA 0.631 5.285 4.640 0.024 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 0.727 41.575 40.800 0.081 0.000 1.102 954 D HN 0.524 nan 8.370 nan 0.000 0.534 955 F N 0.196 120.131 119.950 -0.025 0.000 2.779 955 F HA 0.541 5.082 4.527 0.024 0.000 0.316 955 F C -1.285 174.465 175.800 -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 1.807 121.634 119.800 0.044 0.000 2.301 956 Q HA 0.682 5.036 4.340 0.024 0.000 0.267 956 Q C -1.135 174.944 176.000 0.131 0.000 1.035 956 Q CA -0.543 55.214 55.803 -0.075 0.000 0.856 956 Q CB 2.610 31.219 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 5.314 4.527 0.024 0.000 0.313 957 F C -1.592 173.998 175.800 -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 40.657 39.000 -0.139 0.000 1.349 957 F HN 0.598 nan 8.300 nan 0.000 0.464 958 N N 1.184 119.759 118.700 -0.209 0.000 2.484 958 N HA 0.665 5.420 4.740 0.024 0.000 0.269 958 N C -2.273 173.208 175.510 -0.048 0.000 1.237 958 N CA -0.677 52.195 53.050 -0.296 0.000 0.838 958 N CB 2.421 40.712 38.487 -0.326 0.000 1.593 958 N HN 1.171 nan 8.380 nan 0.000 0.485 959 I N 0.822 121.349 120.570 -0.072 0.000 2.627 959 I HA 0.661 4.845 4.170 0.024 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 1.173 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 6.416 122.106 115.700 -0.017 0.000 2.929 960 S HA 0.594 5.078 4.470 0.024 0.000 0.311 960 S C -0.265 174.300 174.600 -0.060 0.000 1.213 960 S CA -0.962 57.235 58.200 -0.006 0.000 0.908 960 S CB 1.662 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 4.684 4.340 0.024 0.000 0.326 961 R C -1.281 174.612 176.300 -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 -0.077 120.257 120.300 0.056 0.000 2.373 962 Y HA 0.214 4.779 4.550 0.024 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 1.637 116.991 115.700 -0.578 0.000 2.593 963 S HA 0.059 4.544 4.470 0.024 0.000 0.269 963 S C 0.938 175.218 174.600 -0.532 0.000 1.334 963 S CA -0.659 56.831 58.200 -1.183 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 0.658 120.146 119.800 -0.520 0.000 2.096 964 Q HA -0.213 4.142 4.340 0.024 0.000 0.204 964 Q C 2.221 178.102 176.000 -0.199 0.000 0.982 964 Q CA 1.906 57.550 55.803 -0.265 0.000 0.850 964 Q CB -0.534 28.080 28.738 -0.207 0.000 0.901 964 Q HN 0.916 nan 8.270 nan 0.000 0.422 965 Q N 0.450 120.115 119.800 -0.226 0.000 2.061 965 Q HA -0.214 4.141 4.340 0.024 0.000 0.204 965 Q C 2.142 178.066 176.000 -0.128 0.000 0.984 965 Q CA 1.402 57.120 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 -0.141 0.000 2.096 966 Q HA -0.183 4.171 4.340 0.024 0.000 0.204 966 Q C 2.198 178.117 176.000 -0.135 0.000 0.982 966 Q CA 1.171 56.916 55.803 -0.097 0.000 0.850 966 Q CB -0.064 28.656 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 4.138 4.340 0.024 0.000 0.208 967 L C 2.684 179.428 176.870 -0.210 0.000 1.073 967 L CA 1.247 55.975 54.840 -0.187 0.000 0.745 967 L CB -0.376 41.599 42.059 -0.141 0.000 0.894 967 L HN 0.386 nan 8.230 nan 0.000 0.432 968 M N 0.057 119.564 119.600 -0.156 0.000 2.279 968 M HA -0.207 4.287 4.480 0.024 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 -1.557 118.568 120.200 -0.125 0.000 2.481 969 E HA 0.117 4.481 4.350 0.024 0.000 0.198 969 E C -0.325 176.214 176.600 -0.102 0.000 1.027 969 E CA 0.005 56.349 56.400 -0.092 0.000 0.900 969 E CB 0.221 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 0.947 115.404 114.554 -0.162 0.000 2.758 970 T HA 0.142 4.507 4.350 0.024 0.000 0.285 970 T C 1.056 175.645 174.700 -0.186 0.000 0.981 970 T CA -0.451 61.547 62.100 -0.170 0.000 0.965 970 T CB 1.641 70.377 68.868 -0.220 0.000 0.927 970 T HN 0.149 nan 8.240 nan 0.000 0.448 971 S N 2.274 117.965 115.700 -0.014 0.000 2.406 971 S HA -0.034 4.451 4.470 0.024 0.000 0.228 971 S C 0.401 175.111 174.600 0.183 0.000 1.020 971 S CA 0.662 58.964 58.200 0.169 0.000 0.965 971 S CB -0.322 63.107 63.200 0.381 0.000 0.798 971 S HN 0.764 nan 8.310 nan 0.000 0.488 972 H N 0.093 119.124 119.070 -0.065 0.000 2.821 972 H HA 0.559 5.130 4.556 0.024 0.000 0.373 972 H C 0.935 176.198 175.328 -0.110 0.000 1.165 972 H CA -0.903 55.160 56.048 0.025 0.000 1.154 972 H CB 1.293 31.146 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 4.229 4.340 0.024 0.000 0.227 973 R C 1.182 177.473 176.300 -0.015 0.000 1.103 973 R CA 1.585 57.707 56.100 0.036 0.000 0.983 973 R CB -0.420 29.950 30.300 0.116 0.000 0.874 973 R HN 0.763 nan 8.270 nan 0.000 0.451 974 H N 1.230 120.304 119.070 0.007 0.000 2.545 974 H HA 0.018 4.588 4.556 0.024 0.000 0.282 974 H C 1.331 176.541 175.328 -0.196 0.000 1.020 974 H CA 0.778 56.785 56.048 -0.069 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 -0.722 0.000 2.607 975 L HA 0.236 4.590 4.340 0.024 0.000 0.228 975 L C 0.593 177.006 176.870 -0.760 0.000 1.123 975 L CA -0.159 54.256 54.840 -0.709 0.000 0.890 975 L CB 0.151 41.818 42.059 -0.654 0.000 1.103 975 L HN 0.044 nan 8.230 nan 0.000 0.468 976 L N -0.307 120.580 121.223 -0.560 0.000 2.417 976 L HA 0.178 4.533 4.340 0.024 0.000 0.268 976 L C -0.386 176.203 176.870 -0.468 0.000 1.158 976 L CA -0.061 54.485 54.840 -0.489 0.000 0.819 976 L CB 0.470 42.223 42.059 -0.510 0.000 1.112 976 L HN 0.132 nan 8.230 nan 0.000 0.458 977 H N 0.526 119.663 119.070 0.112 0.000 2.600 977 H HA 0.515 5.086 4.556 0.024 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 2.781 125.681 122.820 0.134 0.000 2.511 978 A HA 0.090 4.425 4.320 0.024 0.000 0.242 978 A C 0.236 177.784 177.584 -0.061 0.000 1.069 978 A CA -0.284 51.656 52.037 -0.162 0.000 0.763 978 A CB 0.086 18.992 19.000 -0.156 0.000 1.001 978 A HN 0.799 nan 8.150 nan 0.000 0.498 979 E N 1.046 121.194 120.200 -0.086 0.000 2.322 979 E HA 0.109 4.474 4.350 0.024 0.000 0.257 979 E C 0.582 177.164 176.600 -0.030 0.000 1.155 979 E CA -0.537 55.880 56.400 0.028 0.000 0.936 979 E CB 0.631 30.459 29.700 0.212 0.000 1.130 979 E HN 0.820 nan 8.360 nan 0.000 0.465 980 E N 0.138 120.319 120.200 -0.031 0.000 2.065 980 E HA -0.235 4.130 4.350 0.024 0.000 0.201 980 E C 0.944 177.483 176.600 -0.101 0.000 1.016 980 E CA 1.738 58.096 56.400 -0.070 0.000 0.818 980 E CB 0.026 29.689 29.700 -0.062 0.000 0.749 980 E HN 0.564 nan 8.360 nan 0.000 0.453 981 G N -1.585 107.115 108.800 -0.166 0.000 3.392 981 G HA2 0.265 4.240 3.960 0.024 0.000 0.185 981 G HA3 0.265 4.240 3.960 0.024 0.000 0.185 981 G C -0.737 174.081 174.900 -0.136 0.000 1.206 981 G CA -0.203 44.812 45.100 -0.141 0.000 0.776 981 G HN 0.068 nan 8.290 nan 0.000 0.697 982 T N 0.618 115.090 114.554 -0.137 0.000 2.812 982 T HA 0.379 4.743 4.350 0.024 0.000 0.282 982 T C -1.512 173.067 174.700 -0.201 0.000 0.990 982 T CA -0.098 61.951 62.100 -0.085 0.000 0.960 982 T CB 1.438 70.367 68.868 0.101 0.000 0.948 982 T HN 0.306 nan 8.240 nan 0.000 0.438 983 W N 3.464 124.690 121.300 -0.122 0.000 2.322 983 W HA 0.593 5.267 4.660 0.024 0.000 0.307 983 W C -0.279 176.135 176.519 -0.175 0.000 1.220 983 W CA -0.701 56.569 57.345 -0.125 0.000 1.210 983 W CB 0.753 30.149 29.460 -0.107 0.000 1.223 983 W HN 0.375 nan 8.180 nan 0.000 0.511 984 L N 5.759 127.039 121.223 0.094 0.000 2.356 984 L HA 0.517 4.872 4.340 0.024 0.000 0.277 984 L C -1.016 175.793 176.870 -0.102 0.000 0.996 984 L CA -0.409 54.358 54.840 -0.121 0.000 0.822 984 L CB 0.986 42.828 42.059 -0.361 0.000 1.256 984 L HN 0.325 nan 8.230 nan 0.000 0.413 985 N N 7.019 125.639 118.700 -0.134 0.000 2.399 985 N HA 0.506 5.260 4.740 0.024 0.000 0.280 985 N C -1.306 174.092 175.510 -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 40.860 38.487 -0.109 0.000 1.273 985 N HN 0.519 nan 8.380 nan 0.000 0.486 986 I N 1.716 122.132 120.570 -0.257 0.000 2.410 986 I HA 0.245 4.430 4.170 0.024 0.000 0.286 986 I C -0.770 175.193 176.117 -0.256 0.000 1.009 986 I CA -0.577 60.542 61.300 -0.302 0.000 1.111 986 I CB 1.785 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 4.492 124.785 120.400 -0.179 0.000 2.217 987 D HA 0.299 4.953 4.640 0.024 0.000 0.243 987 D C 0.974 177.018 176.300 -0.428 0.000 1.054 987 D CA -0.191 53.642 54.000 -0.278 0.000 0.838 987 D CB 2.647 43.371 40.800 -0.128 0.000 1.162 987 D HN 0.711 nan 8.370 nan 0.000 0.472 988 G N 1.269 109.541 108.800 -0.879 0.000 2.408 988 G HA2 0.009 3.983 3.960 0.024 0.000 0.215 988 G HA3 0.009 3.983 3.960 0.024 0.000 0.215 988 G C 0.067 174.198 174.900 -1.281 0.000 1.156 988 G CA 0.551 44.886 45.100 -1.275 0.000 0.793 988 G HN 0.379 nan 8.290 nan 0.000 0.535 989 F N -1.638 118.091 119.950 -0.368 0.000 2.619 989 F HA 0.542 5.083 4.527 0.024 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 40.545 39.000 -0.302 0.000 1.287 989 F HN -0.089 nan 8.300 nan 0.000 0.446 990 H N 3.108 122.183 119.070 0.008 0.000 2.759 990 H HA 0.452 5.023 4.556 0.024 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 2.351 32.080 29.762 -0.054 0.000 1.648 990 H HN 0.900 nan 8.280 nan 0.000 0.529 991 M N 3.231 122.752 119.600 -0.132 0.000 2.240 991 M HA 0.372 4.866 4.480 0.024 0.000 0.333 991 M C 0.240 176.622 176.300 0.137 0.000 1.110 991 M CA 0.131 55.433 55.300 0.004 0.000 1.173 991 M CB 0.703 33.227 32.600 -0.127 0.000 1.458 991 M HN 0.609 nan 8.290 nan 0.000 0.458 992 G N 2.309 111.181 108.800 0.121 0.000 2.699 992 G HA2 0.291 4.265 3.960 0.024 0.000 0.246 992 G HA3 0.291 4.265 3.960 0.024 0.000 0.246 992 G C 0.567 175.444 174.900 -0.037 0.000 1.219 992 G CA -0.296 44.809 45.100 0.008 0.000 0.866 992 G HN 1.025 nan 8.290 nan 0.000 0.572 993 I N -1.891 118.612 120.570 -0.112 0.000 3.645 993 I HA 0.423 4.607 4.170 0.024 0.000 0.300 993 I C 1.227 177.290 176.117 -0.089 0.000 1.260 993 I CA 0.426 61.631 61.300 -0.159 0.000 1.365 993 I CB -0.550 37.256 38.000 -0.323 0.000 1.077 993 I HN 0.960 nan 8.210 nan 0.000 0.439 994 G N 1.435 110.213 108.800 -0.037 0.000 2.698 994 G HA2 0.052 4.027 3.960 0.024 0.000 0.233 994 G HA3 0.052 4.027 3.960 0.024 0.000 0.233 994 G C 0.526 175.442 174.900 0.026 0.000 1.352 994 G CA 0.071 45.189 45.100 0.030 0.000 0.879 994 G HN 1.317 nan 8.290 nan 0.000 0.567 995 G N -2.458 106.371 108.800 0.048 0.000 2.902 995 G HA2 0.026 4.000 3.960 0.024 0.000 0.215 995 G HA3 0.026 4.000 3.960 0.024 0.000 0.215 995 G C 0.681 175.649 174.900 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 1.330 121.811 120.400 0.135 0.000 2.203 996 D HA 0.074 4.729 4.640 0.024 0.000 0.199 996 D C 0.979 177.313 176.300 0.057 0.000 0.997 996 D CA 2.203 56.330 54.000 0.211 0.000 0.863 996 D CB 0.084 41.013 40.800 0.215 0.000 0.928 996 D HN 0.811 nan 8.370 nan 0.000 0.458 997 D N -3.666 116.576 120.400 -0.262 0.000 2.671 997 D HA 0.288 4.942 4.640 0.024 0.000 0.273 997 D C -0.807 175.038 176.300 -0.758 0.000 1.264 997 D CA -0.729 52.718 54.000 -0.922 0.000 0.788 997 D CB 0.740 40.452 40.800 -1.813 0.000 1.324 997 D HN -0.283 nan 8.370 nan 0.000 0.424 998 S N -0.565 114.538 115.700 -0.996 0.000 2.664 998 S HA 0.241 4.725 4.470 0.024 0.000 0.245 998 S C -0.473 174.176 174.600 0.081 0.000 1.019 998 S CA -0.645 57.434 58.200 -0.200 0.000 0.996 998 S CB -0.523 62.810 63.200 0.221 0.000 0.878 998 S HN 0.606 nan 8.310 nan 0.000 0.493 999 W N 1.263 122.490 121.300 -0.122 0.000 2.252 999 W HA 0.580 5.254 4.660 0.023 0.000 0.338 999 W C -0.110 176.360 176.519 -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 28.835 29.460 -0.206 0.000 1.135 999 W HN 0.148 nan 8.180 nan 0.000 0.531 1000 S N -1.300 114.289 115.700 -0.185 0.000 2.567 1000 S HA 0.561 5.046 4.470 0.024 0.000 0.270 1000 S C -3.142 171.392 174.600 -0.110 0.000 1.152 1000 S CA -1.553 56.577 58.200 -0.117 0.000 0.835 1000 S CB 1.445 64.580 63.200 -0.108 0.000 1.115 1000 S HN -0.201 nan 8.310 nan 0.000 0.459 1001 P HA 0.191 nan 4.420 nan 0.000 0.262 1001 P C 0.438 177.770 177.300 0.053 0.000 1.199 1001 P CA 0.024 63.132 63.100 0.013 0.000 0.763 1001 P CB 0.512 32.126 31.700 -0.144 0.000 0.790 1002 S N 0.874 116.642 115.700 0.114 0.000 2.701 1002 S HA 0.157 4.641 4.470 0.024 0.000 0.242 1002 S C 0.252 174.946 174.600 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 4.063 124.123 119.914 0.244 0.000 2.408 1003 V HA 0.369 4.503 4.120 0.024 0.000 0.267 1003 V C 0.482 176.745 176.094 0.282 0.000 1.047 1003 V CA -0.496 61.950 62.300 0.244 0.000 0.937 1003 V CB 0.653 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 0.361 4.846 4.470 0.024 0.000 0.278 1004 S C 1.560 176.259 174.600 0.165 0.000 1.333 1004 S CA -0.078 58.256 58.200 0.222 0.000 1.048 1004 S CB 1.330 64.617 63.200 0.146 0.000 0.900 1004 S HN 1.035 nan 8.310 nan 0.000 0.505 1005 A N 2.396 125.273 122.820 0.095 0.000 1.954 1005 A HA -0.286 4.048 4.320 0.024 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 0.064 0.000 0.657 1005 A CB -1.147 17.877 19.000 0.039 0.000 0.823 1005 A HN 0.927 nan 8.150 nan 0.000 0.463 1006 E N -0.904 119.143 120.200 -0.254 0.000 2.267 1006 E HA -0.136 4.229 4.350 0.024 0.000 0.197 1006 E C 1.064 177.346 176.600 -0.531 0.000 0.998 1006 E CA 1.300 57.411 56.400 -0.482 0.000 0.830 1006 E CB -0.395 28.793 29.700 -0.854 0.000 0.751 1006 E HN 0.812 nan 8.360 nan 0.000 0.491 1007 F N 0.745 120.740 119.950 0.075 0.000 2.641 1007 F HA 0.200 4.741 4.527 0.023 0.000 0.302 1007 F C 0.467 176.296 175.800 0.048 0.000 1.098 1007 F CA -0.482 57.560 58.000 0.071 0.000 1.318 1007 F CB 0.276 39.319 39.000 0.071 0.000 1.035 1007 F HN -0.169 nan 8.300 nan 0.000 0.551 1008 Q N 1.484 121.383 119.800 0.164 0.000 2.256 1008 Q HA 0.395 4.749 4.340 0.024 0.000 0.257 1008 Q C -0.278 175.739 176.000 0.028 0.000 0.936 1008 Q CA -0.580 55.296 55.803 0.121 0.000 0.903 1008 Q CB 2.147 31.040 28.738 0.259 0.000 1.263 1008 Q HN 0.276 nan 8.270 nan 0.000 0.440 1009 L N 2.579 123.802 121.223 -0.000 0.000 2.415 1009 L HA 0.086 4.440 4.340 0.024 0.000 0.269 1009 L C 0.581 177.402 176.870 -0.081 0.000 1.244 1009 L CA -0.008 54.814 54.840 -0.031 0.000 1.113 1009 L CB -0.559 41.360 42.059 -0.233 0.000 1.352 1009 L HN 0.698 nan 8.230 nan 0.000 0.433 1010 S N -0.958 114.627 115.700 -0.192 0.000 2.663 1010 S HA 0.233 4.717 4.470 0.024 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 0.920 63.769 63.200 -0.585 0.000 0.896 1010 S HN 0.533 nan 8.310 nan 0.000 0.502 1011 A N 1.340 124.106 122.820 -0.090 0.000 2.021 1011 A HA 0.567 4.902 4.320 0.024 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 -0.316 0.000 0.676 1011 A CB -0.982 17.616 19.000 -0.670 0.000 0.818 1011 A HN 1.468 nan 8.150 nan 0.000 0.453 1012 G N -1.335 107.370 108.800 -0.157 0.000 3.079 1012 G HA2 -0.246 3.729 3.960 0.024 0.000 0.214 1012 G HA3 -0.246 3.729 3.960 0.024 0.000 0.214 1012 G C 0.372 175.227 174.900 -0.074 0.000 1.335 1012 G CA 0.282 45.362 45.100 -0.034 0.000 0.822 1012 G HN 0.597 nan 8.290 nan 0.000 0.545 1013 R N 0.373 120.705 120.500 -0.280 0.000 2.338 1013 R HA 0.742 5.097 4.340 0.024 0.000 0.317 1013 R C -1.325 174.698 176.300 -0.462 0.000 0.968 1013 R CA -0.294 55.690 56.100 -0.194 0.000 0.849 1013 R CB 0.797 31.031 30.300 -0.110 0.000 1.128 1013 R HN 0.394 nan 8.270 nan 0.000 0.448 1014 Y N 0.966 121.264 120.300 -0.002 0.000 2.442 1014 Y HA 0.359 4.923 4.550 0.024 0.000 0.344 1014 Y C -0.339 175.712 175.900 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 3.143 122.495 119.070 0.471 0.000 2.637 1015 H HA 0.649 5.219 4.556 0.024 0.000 0.363 1015 H C -1.671 174.036 175.328 0.631 0.000 1.131 1015 H CA -0.925 55.382 56.048 0.433 0.000 1.183 1015 H CB 1.369 31.281 29.762 0.250 0.000 1.637 1015 H HN 0.597 nan 8.280 nan 0.000 0.531 1016 Y N 1.105 121.162 120.300 -0.406 0.000 2.624 1016 Y HA 0.460 5.025 4.550 0.024 0.000 0.334 1016 Y C -2.149 173.600 175.900 -0.251 0.000 1.155 1016 Y CA -1.075 56.918 58.100 -0.178 0.000 1.046 1016 Y CB 1.255 39.696 38.460 -0.032 0.000 1.316 1016 Y HN 0.683 nan 8.280 nan 0.000 0.457 1017 Q N 3.394 123.214 119.800 0.034 0.000 2.379 1017 Q HA 0.766 5.120 4.340 0.024 0.000 0.278 1017 Q C -1.762 174.303 176.000 0.109 0.000 1.068 1017 Q CA -1.098 54.694 55.803 -0.018 0.000 0.816 1017 Q CB 3.525 32.292 28.738 0.049 0.000 1.387 1017 Q HN 0.715 nan 8.270 nan 0.000 0.413 1018 L N 0.913 122.175 121.223 0.065 0.000 2.327 1018 L HA 0.749 5.104 4.340 0.024 0.000 0.258 1018 L C -1.025 175.938 176.870 0.155 0.000 1.024 1018 L CA -1.332 53.581 54.840 0.122 0.000 0.825 1018 L CB 2.581 44.699 42.059 0.098 0.000 1.386 1018 L HN 0.409 nan 8.230 nan 0.000 0.417 1019 V N 0.844 120.880 119.914 0.202 0.000 2.447 1019 V HA 0.324 4.459 4.120 0.024 0.000 0.292 1019 V C -1.153 175.105 176.094 0.273 0.000 1.021 1019 V CA -0.462 61.967 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 6.997 128.342 121.300 0.076 0.000 2.469 1020 W HA 0.745 5.420 4.660 0.024 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 5.224 4.460 0.024 0.000 0.363 1021 C C -1.053 174.028 174.990 0.152 0.000 1.514 1021 C CA -0.811 58.360 59.018 0.256 0.000 1.185 1021 C CB 1.521 29.355 27.740 0.156 0.000 1.716 1021 C HN 0.579 nan 8.230 nan 0.000 0.440 1022 Q N 0.474 120.302 119.800 0.047 0.000 2.416 1022 Q HA 0.848 5.202 4.340 0.024 0.000 0.279 1022 Q C -0.878 175.094 176.000 -0.046 0.000 1.101 1022 Q CA -0.324 55.444 55.803 -0.058 0.000 0.830 1022 Q CB 2.009 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 4.334 4.320 0.024 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