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 1f49_1_A DATA FIRST_RESID 3 DATA SEQUENCE ITDSLAVVLQ RRDWENPGVT QLNRLAAHPP FASWRNSEEA RTDRPSQQLR DATA SEQUENCE SLNGEWRFAW FPAPEAVPES WLECDLPEAD TVVVPSNWQM HGYDAPIYTN DATA SEQUENCE VTYPITVNPP FVPTENPTGC YSLTFNVDES WLQEGQTRII FDGVNSAFHL DATA SEQUENCE WCNGRWVGYG QDSRLPSEFD LSAFLRAGEN RLAVMVLRWS DGSYLEDQDM DATA SEQUENCE WRMSGIFRDV SLLHKPTTQI SDFHVATRFN DDFSRAVLEA EVQMCGELRD DATA SEQUENCE YLRVTVSLWQ GETQVASGTA PFGGEIIDER GGYADRVTLR LNVENPKLWS DATA SEQUENCE AEIPNLYRAV VELHTADGTL IEAEACDVGF REVRIENGLL LLNGKPLLIR DATA SEQUENCE GVNRHEHHPL HGQVMDEQTM VQDILLMKQN NFNAVRCSHY PNHPLWYTLC DATA SEQUENCE DRYGLYVVDE ANIETHGMVP MNRLTDDPRW LPAMSERVTR MVQRDRNHPS DATA SEQUENCE VIIWSLGNES GHGANHDALY RWIKSVDPSR PVQYEGGGAD TTATDIICPM DATA SEQUENCE YARVDEDQPF PAVPKWSIKK WLSLPGETRP LILCEYAHAM GNSLGGFAKY DATA SEQUENCE WQAFRQYPRL QGGFVWDWVD QSLIKYDENG NPWSAYGGDF GDTPNDRQFC DATA SEQUENCE MNGLVFADRT PHPALTEAKH QQQFFQFRLS GQTIEVTSEY LFRHSDNELL DATA SEQUENCE HWMVALDGKP LASGEVPLDV APQGKQLIEL PELPQPESAG QLWLTVRVVQ DATA SEQUENCE PNATAWSEAG HISAWQQWRL AENLSVTLPA ASHAIPHLTT SEMDFXIELG DATA SEQUENCE NKRWQFNRQS GFLSQMWIGD KKQLLTPLRD QFTRAPLDND IGVSEATRID DATA SEQUENCE PNAWVERWKA AGHYQAEAAL LQCTADTLAD AVLITTAHAW QHQGKTLFIS DATA SEQUENCE RKTYRIDGSG QMAITVDVEV ASDTPHPARI GLNCQLAQVA ERVNWLGLGP DATA SEQUENCE QENYPDRLTA AXFDRWDLPL SDMYTPYVFP SENGLRCGTR ELNYGPHQWR DATA SEQUENCE GDFQFNISRY SQQQLMETSH RHLLHAEEGT WLNIDGFHMG IGGDDSWSPS DATA SEQUENCE VSAEFQLSAG RYHYQLVWXQ 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 0.000 176.142 176.117 0.041 0.000 1.063 3 I CA 0.000 61.325 61.300 0.041 0.000 1.566 3 I CB 0.000 38.016 38.000 0.026 0.000 1.214 4 T N -2.318 112.268 114.554 0.052 0.000 3.081 4 T HA 0.219 4.569 4.350 -0.000 0.000 0.250 4 T C 0.922 175.653 174.700 0.052 0.000 1.100 4 T CA 0.965 63.081 62.100 0.026 0.000 1.038 4 T CB -0.376 68.506 68.868 0.023 0.000 0.962 4 T HN 0.248 nan 8.240 nan 0.000 0.516 5 D N 2.372 122.861 120.400 0.149 0.000 2.340 5 D HA 0.088 4.728 4.640 -0.000 0.000 0.220 5 D C 0.959 177.471 176.300 0.353 0.000 1.039 5 D CA 0.157 54.351 54.000 0.323 0.000 0.866 5 D CB 0.057 41.066 40.800 0.349 0.000 0.913 5 D HN 0.567 nan 8.370 nan 0.000 0.523 6 S N 0.067 115.859 115.700 0.154 0.000 2.548 6 S HA 0.086 4.556 4.470 -0.000 0.000 0.277 6 S C 1.336 175.988 174.600 0.088 0.000 1.315 6 S CA -0.680 57.569 58.200 0.082 0.000 1.050 6 S CB 1.271 64.487 63.200 0.026 0.000 0.918 6 S HN -0.115 nan 8.310 nan 0.000 0.497 7 L N 3.575 124.827 121.223 0.049 0.000 2.051 7 L HA -0.126 4.214 4.340 -0.000 0.000 0.214 7 L C 2.899 179.788 176.870 0.032 0.000 1.076 7 L CA 2.504 57.378 54.840 0.057 0.000 0.758 7 L CB -1.542 40.503 42.059 -0.024 0.000 0.890 7 L HN 0.989 nan 8.230 nan 0.000 0.433 8 A N -1.825 121.000 122.820 0.008 0.000 2.015 8 A HA -0.097 4.223 4.320 -0.000 0.000 0.219 8 A C 2.393 179.971 177.584 -0.009 0.000 1.163 8 A CA 1.742 53.780 52.037 0.003 0.000 0.646 8 A CB -0.573 18.424 19.000 -0.004 0.000 0.806 8 A HN 0.233 nan 8.150 nan 0.000 0.448 9 V N -1.023 118.877 119.914 -0.023 0.000 2.341 9 V HA -0.129 3.991 4.120 -0.000 0.000 0.240 9 V C 2.541 178.562 176.094 -0.122 0.000 1.035 9 V CA 1.514 63.777 62.300 -0.061 0.000 1.033 9 V CB -0.377 31.413 31.823 -0.054 0.000 0.678 9 V HN 0.320 nan 8.190 nan 0.000 0.464 10 V N 0.754 120.567 119.914 -0.168 0.000 2.250 10 V HA -0.298 3.822 4.120 -0.000 0.000 0.250 10 V C 2.163 178.135 176.094 -0.203 0.000 1.060 10 V CA 2.243 64.329 62.300 -0.357 0.000 1.030 10 V CB -0.695 30.869 31.823 -0.431 0.000 0.643 10 V HN 0.482 nan 8.190 nan 0.000 0.445 11 L N 0.280 121.494 121.223 -0.016 0.000 2.622 11 L HA -0.104 4.236 4.340 -0.000 0.000 0.233 11 L C 2.337 179.279 176.870 0.121 0.000 1.156 11 L CA 0.798 55.761 54.840 0.205 0.000 0.866 11 L CB -0.710 41.517 42.059 0.279 0.000 0.980 11 L HN 0.443 nan 8.230 nan 0.000 0.448 12 Q N 0.713 120.510 119.800 -0.005 0.000 2.137 12 Q HA -0.103 4.237 4.340 -0.000 0.000 0.198 12 Q C 2.306 178.248 176.000 -0.098 0.000 0.960 12 Q CA 1.184 56.964 55.803 -0.037 0.000 0.847 12 Q CB 0.020 28.728 28.738 -0.050 0.000 0.915 12 Q HN 0.191 nan 8.270 nan 0.000 0.448 13 R N 0.512 120.934 120.500 -0.129 0.000 2.096 13 R HA 0.010 4.350 4.340 -0.000 0.000 0.235 13 R C 0.285 176.416 176.300 -0.282 0.000 1.127 13 R CA 1.135 57.130 56.100 -0.175 0.000 0.968 13 R CB -0.231 29.965 30.300 -0.174 0.000 0.861 13 R HN 0.352 nan 8.270 nan 0.000 0.440 14 R N 0.784 121.032 120.500 -0.420 0.000 3.261 14 R HA -0.122 4.218 4.340 -0.000 0.000 0.257 14 R C -0.137 175.698 176.300 -0.775 0.000 1.014 14 R CA 0.411 55.877 56.100 -1.058 0.000 0.681 14 R CB -1.232 28.581 30.300 -0.812 0.000 1.155 14 R HN 0.322 nan 8.270 nan 0.000 0.424 15 D N -0.316 119.821 120.400 -0.438 0.000 2.221 15 D HA -0.186 4.454 4.640 -0.000 0.000 0.204 15 D C 1.588 177.850 176.300 -0.063 0.000 0.982 15 D CA 1.765 55.575 54.000 -0.317 0.000 0.857 15 D CB -0.138 40.263 40.800 -0.665 0.000 0.934 15 D HN 0.726 nan 8.370 nan 0.000 0.475 16 W N 1.609 122.944 121.300 0.058 0.000 3.292 16 W HA 0.159 4.819 4.660 -0.000 0.000 0.263 16 W C 0.252 176.876 176.519 0.174 0.000 1.318 16 W CA -0.215 57.258 57.345 0.213 0.000 1.663 16 W CB -0.262 29.356 29.460 0.263 0.000 1.114 16 W HN -0.164 nan 8.180 nan 0.000 0.706 17 E N 1.028 121.057 120.200 -0.285 0.000 3.306 17 E HA 0.085 4.435 4.350 -0.000 0.000 0.197 17 E C -0.836 175.644 176.600 -0.201 0.000 0.980 17 E CA -0.285 56.014 56.400 -0.169 0.000 1.259 17 E CB -0.173 29.471 29.700 -0.093 0.000 1.112 17 E HN 0.077 nan 8.360 nan 0.000 0.458 18 N N 1.241 119.849 118.700 -0.153 0.000 2.572 18 N HA 0.140 4.880 4.740 -0.000 0.000 0.287 18 N C -2.373 173.015 175.510 -0.202 0.000 1.136 18 N CA -1.933 50.993 53.050 -0.206 0.000 0.900 18 N CB 1.627 40.000 38.487 -0.189 0.000 1.484 18 N HN -0.228 nan 8.380 nan 0.000 0.526 19 P HA 0.075 nan 4.420 nan 0.000 0.230 19 P C 1.073 178.143 177.300 -0.383 0.000 1.158 19 P CA 0.658 63.436 63.100 -0.537 0.000 0.769 19 P CB 0.170 31.094 31.700 -1.293 0.000 0.807 20 G N -0.344 108.275 108.800 -0.302 0.000 2.572 20 G HA2 0.036 3.996 3.960 -0.000 0.000 0.216 20 G HA3 0.036 3.996 3.960 -0.000 0.000 0.216 20 G C 0.321 175.151 174.900 -0.117 0.000 1.133 20 G CA 0.213 45.189 45.100 -0.206 0.000 0.791 20 G HN 0.211 nan 8.290 nan 0.000 0.538 21 V N 1.444 121.311 119.914 -0.080 0.000 2.326 21 V HA 0.355 4.475 4.120 -0.000 0.000 0.281 21 V C 0.850 177.005 176.094 0.102 0.000 1.015 21 V CA 0.153 62.461 62.300 0.013 0.000 0.823 21 V CB 1.215 33.042 31.823 0.007 0.000 1.009 21 V HN 0.304 nan 8.190 nan 0.000 0.436 22 T N 0.742 115.340 114.554 0.074 0.000 2.985 22 T HA 0.353 4.703 4.350 -0.000 0.000 0.254 22 T C 0.275 174.987 174.700 0.020 0.000 1.021 22 T CA 0.218 62.351 62.100 0.055 0.000 0.957 22 T CB 0.385 69.248 68.868 -0.009 0.000 1.047 22 T HN 0.691 nan 8.240 nan 0.000 0.511 23 Q N 0.339 120.199 119.800 0.099 0.000 2.756 23 Q HA 0.712 5.052 4.340 -0.000 0.000 0.295 23 Q C -2.191 173.929 176.000 0.200 0.000 0.903 23 Q CA -1.096 54.751 55.803 0.073 0.000 0.768 23 Q CB 1.078 29.787 28.738 -0.049 0.000 1.472 23 Q HN 0.230 nan 8.270 nan 0.000 0.416 24 L N 1.703 123.070 121.223 0.240 0.000 2.580 24 L HA 0.558 4.898 4.340 -0.000 0.000 0.266 24 L C -0.791 176.225 176.870 0.244 0.000 0.955 24 L CA -0.806 54.197 54.840 0.271 0.000 0.886 24 L CB 1.888 44.208 42.059 0.435 0.000 1.263 24 L HN 0.867 nan 8.230 nan 0.000 0.406 25 N N 0.576 119.379 118.700 0.171 0.000 2.800 25 N HA -0.204 4.535 4.740 -0.000 0.000 0.250 25 N C 0.220 175.808 175.510 0.129 0.000 1.078 25 N CA 0.730 53.880 53.050 0.167 0.000 0.804 25 N CB -0.744 37.828 38.487 0.142 0.000 1.135 25 N HN 0.690 nan 8.380 nan 0.000 0.565 26 R N 1.209 121.657 120.500 -0.087 0.000 2.340 26 R HA 0.401 4.741 4.340 -0.000 0.000 0.300 26 R C 0.699 176.853 176.300 -0.244 0.000 1.069 26 R CA -0.327 55.491 56.100 -0.469 0.000 0.984 26 R CB 0.558 30.578 30.300 -0.466 0.000 1.003 26 R HN 0.123 nan 8.270 nan 0.000 0.459 27 L N 2.751 123.824 121.223 -0.251 0.000 2.479 27 L HA 0.328 4.668 4.340 -0.000 0.000 0.248 27 L C 0.756 177.589 176.870 -0.061 0.000 1.205 27 L CA -0.631 54.158 54.840 -0.085 0.000 0.817 27 L CB 0.464 42.511 42.059 -0.019 0.000 1.162 27 L HN 0.738 nan 8.230 nan 0.000 0.486 28 A N 0.488 123.316 122.820 0.012 0.000 2.366 28 A HA 0.553 4.873 4.320 -0.000 0.000 0.249 28 A C 0.158 177.786 177.584 0.074 0.000 1.084 28 A CA -0.023 52.033 52.037 0.033 0.000 0.794 28 A CB 0.283 19.321 19.000 0.065 0.000 1.034 28 A HN 0.766 nan 8.150 nan 0.000 0.491 29 A N 0.733 123.547 122.820 -0.011 0.000 2.304 29 A HA 0.724 5.044 4.320 -0.000 0.000 0.271 29 A C 0.030 177.555 177.584 -0.098 0.000 1.091 29 A CA 0.364 52.320 52.037 -0.134 0.000 0.812 29 A CB -0.000 18.904 19.000 -0.159 0.000 1.056 29 A HN 1.790 nan 8.150 nan 0.000 0.489 30 H N -2.522 116.447 119.070 -0.167 0.000 2.904 30 H HA 0.597 5.153 4.556 -0.000 0.000 0.290 30 H C -3.351 171.749 175.328 -0.379 0.000 1.437 30 H CA -1.737 54.171 56.048 -0.233 0.000 1.147 30 H CB 0.015 29.605 29.762 -0.288 0.000 1.824 30 H HN 0.403 nan 8.280 nan 0.000 0.505 31 P HA 0.206 nan 4.420 nan 0.000 0.274 31 P C -2.591 174.459 177.300 -0.416 0.000 1.260 31 P CA -1.486 61.398 63.100 -0.360 0.000 0.793 31 P CB -0.377 31.085 31.700 -0.397 0.000 1.048 32 P HA 0.144 nan 4.420 nan 0.000 0.271 32 P C -0.845 176.517 177.300 0.104 0.000 1.226 32 P CA 0.773 63.821 63.100 -0.087 0.000 0.765 32 P CB -0.125 31.596 31.700 0.034 0.000 0.835 33 F N 1.388 121.460 119.950 0.203 0.000 2.492 33 F HA 0.584 5.111 4.527 -0.000 0.000 0.327 33 F C 1.138 176.889 175.800 -0.081 0.000 1.079 33 F CA -0.950 57.101 58.000 0.084 0.000 0.967 33 F CB 2.029 41.033 39.000 0.007 0.000 1.169 33 F HN 0.235 nan 8.300 nan 0.000 0.472 34 A N 0.565 123.352 122.820 -0.054 0.000 2.340 34 A HA 0.253 4.573 4.320 -0.000 0.000 0.213 34 A C 0.820 178.124 177.584 -0.467 0.000 1.299 34 A CA 0.486 52.232 52.037 -0.485 0.000 0.994 34 A CB -0.035 18.125 19.000 -1.400 0.000 1.132 34 A HN 0.772 nan 8.150 nan 0.000 0.519 35 S N -0.204 115.324 115.700 -0.287 0.000 3.783 35 S HA -0.131 4.339 4.470 -0.000 0.000 0.360 35 S C -0.058 174.460 174.600 -0.137 0.000 1.006 35 S CA 0.329 58.406 58.200 -0.206 0.000 1.115 35 S CB -1.707 61.357 63.200 -0.227 0.000 0.893 35 S HN 0.493 nan 8.310 nan 0.000 0.475 36 W N 1.369 122.662 121.300 -0.011 0.000 2.148 36 W HA 0.163 4.823 4.660 -0.000 0.000 0.347 36 W C 1.546 178.058 176.519 -0.011 0.000 1.288 36 W CA -0.199 57.147 57.345 0.002 0.000 1.252 36 W CB 0.169 29.630 29.460 0.001 0.000 1.156 36 W HN 0.374 nan 8.180 nan 0.000 0.580 37 R N 1.534 122.197 120.500 0.272 0.000 2.508 37 R HA 0.093 4.433 4.340 -0.000 0.000 0.300 37 R C 0.089 176.469 176.300 0.133 0.000 0.970 37 R CA -0.062 56.131 56.100 0.155 0.000 1.102 37 R CB 0.382 30.742 30.300 0.099 0.000 1.246 37 R HN 0.422 nan 8.270 nan 0.000 0.539 38 N N 0.510 119.306 118.700 0.160 0.000 2.425 38 N HA -0.022 4.718 4.740 -0.000 0.000 0.289 38 N C 0.379 175.880 175.510 -0.014 0.000 1.074 38 N CA 0.101 53.191 53.050 0.067 0.000 0.905 38 N CB 2.192 40.712 38.487 0.055 0.000 1.586 38 N HN -0.103 nan 8.380 nan 0.000 0.490 39 S N 2.761 118.432 115.700 -0.049 0.000 2.359 39 S HA -0.159 4.311 4.470 -0.000 0.000 0.224 39 S C 1.178 175.637 174.600 -0.235 0.000 1.035 39 S CA 1.268 59.398 58.200 -0.117 0.000 1.018 39 S CB -0.208 62.957 63.200 -0.058 0.000 0.876 39 S HN 0.670 nan 8.310 nan 0.000 0.448 40 E N 0.934 121.016 120.200 -0.196 0.000 2.110 40 E HA -0.124 4.226 4.350 -0.000 0.000 0.193 40 E C 2.206 178.624 176.600 -0.304 0.000 0.988 40 E CA 1.156 57.403 56.400 -0.256 0.000 0.804 40 E CB -0.335 29.257 29.700 -0.180 0.000 0.745 40 E HN 0.753 nan 8.360 nan 0.000 0.458 41 E N 0.619 120.662 120.200 -0.262 0.000 2.051 41 E HA -0.156 4.194 4.350 -0.000 0.000 0.192 41 E C 2.081 178.195 176.600 -0.810 0.000 0.991 41 E CA 0.979 57.211 56.400 -0.281 0.000 0.799 41 E CB -0.082 29.620 29.700 0.003 0.000 0.748 41 E HN 0.178 nan 8.360 nan 0.000 0.449 42 A N 1.579 123.626 122.820 -1.288 0.000 1.902 42 A HA -0.215 4.104 4.320 -0.000 0.000 0.217 42 A C 2.104 179.067 177.584 -1.036 0.000 1.181 42 A CA 1.633 52.445 52.037 -2.043 0.000 0.623 42 A CB -0.505 17.811 19.000 -1.141 0.000 0.818 42 A HN 0.113 nan 8.150 nan 0.000 0.443 43 R N -0.073 120.034 120.500 -0.656 0.000 2.152 43 R HA -0.110 4.230 4.340 -0.000 0.000 0.232 43 R C 1.441 177.493 176.300 -0.412 0.000 1.117 43 R CA 1.938 57.726 56.100 -0.520 0.000 0.981 43 R CB -0.354 29.563 30.300 -0.638 0.000 0.870 43 R HN 0.584 nan 8.270 nan 0.000 0.451 44 T N -2.844 111.489 114.554 -0.368 0.000 3.105 44 T HA 0.111 4.461 4.350 -0.000 0.000 0.253 44 T C 0.044 174.665 174.700 -0.132 0.000 1.047 44 T CA 0.151 62.119 62.100 -0.220 0.000 0.944 44 T CB 0.247 69.010 68.868 -0.175 0.000 1.016 44 T HN 0.255 nan 8.240 nan 0.000 0.544 45 D N 1.339 121.627 120.400 -0.185 0.000 2.800 45 D HA -0.151 4.489 4.640 -0.000 0.000 0.232 45 D C 0.052 176.457 176.300 0.176 0.000 1.137 45 D CA 0.387 54.409 54.000 0.037 0.000 0.718 45 D CB -0.855 40.002 40.800 0.096 0.000 1.084 45 D HN 0.553 nan 8.370 nan 0.000 0.432 46 R N -0.113 120.485 120.500 0.164 0.000 2.652 46 R HA 0.492 4.832 4.340 -0.000 0.000 0.271 46 R C -2.123 174.440 176.300 0.438 0.000 1.129 46 R CA -1.195 55.054 56.100 0.248 0.000 1.200 46 R CB -0.001 30.391 30.300 0.153 0.000 1.146 46 R HN 0.102 nan 8.270 nan 0.000 0.581 47 P HA 0.043 nan 4.420 nan 0.000 0.279 47 P C -0.650 176.762 177.300 0.188 0.000 1.239 47 P CA -0.136 63.089 63.100 0.208 0.000 0.789 47 P CB 1.146 32.925 31.700 0.132 0.000 0.933 48 S N 1.796 117.487 115.700 -0.014 0.000 2.525 48 S HA 0.166 4.636 4.470 -0.000 0.000 0.290 48 S C 0.936 175.521 174.600 -0.024 0.000 1.152 48 S CA -0.538 57.578 58.200 -0.139 0.000 1.072 48 S CB 0.884 63.645 63.200 -0.732 0.000 1.027 48 S HN 0.373 nan 8.310 nan 0.000 0.500 49 Q N 1.721 121.552 119.800 0.052 0.000 2.472 49 Q HA -0.009 4.331 4.340 -0.000 0.000 0.208 49 Q C 0.788 176.926 176.000 0.230 0.000 0.958 49 Q CA 0.351 56.235 55.803 0.135 0.000 0.932 49 Q CB -0.145 28.684 28.738 0.151 0.000 1.007 49 Q HN 0.781 nan 8.270 nan 0.000 0.508 50 Q N 0.494 120.357 119.800 0.104 0.000 2.365 50 Q HA 0.148 4.488 4.340 -0.000 0.000 0.203 50 Q C 0.011 176.053 176.000 0.070 0.000 0.929 50 Q CA 0.135 55.981 55.803 0.073 0.000 0.948 50 Q CB 0.101 28.778 28.738 -0.102 0.000 1.043 50 Q HN 0.160 nan 8.270 nan 0.000 0.505 51 L N 1.171 122.461 121.223 0.111 0.000 2.343 51 L HA 0.467 4.807 4.340 -0.000 0.000 0.278 51 L C -1.158 175.800 176.870 0.147 0.000 0.996 51 L CA -0.372 54.523 54.840 0.092 0.000 0.831 51 L CB 1.469 43.505 42.059 -0.038 0.000 1.232 51 L HN -0.101 nan 8.230 nan 0.000 0.413 52 R N 2.781 123.394 120.500 0.187 0.000 2.561 52 R HA 0.457 4.797 4.340 -0.000 0.000 0.297 52 R C -0.909 175.431 176.300 0.066 0.000 0.969 52 R CA -0.592 55.586 56.100 0.130 0.000 0.879 52 R CB 2.264 32.658 30.300 0.157 0.000 1.178 52 R HN 0.691 nan 8.270 nan 0.000 0.445 53 S N 2.689 118.417 115.700 0.046 0.000 2.565 53 S HA 0.276 4.746 4.470 -0.000 0.000 0.274 53 S C 0.971 175.591 174.600 0.033 0.000 1.309 53 S CA -0.430 57.791 58.200 0.034 0.000 1.043 53 S CB 0.510 63.738 63.200 0.046 0.000 0.939 53 S HN 0.541 nan 8.310 nan 0.000 0.504 54 L N 3.454 124.706 121.223 0.048 0.000 2.857 54 L HA 0.285 4.625 4.340 -0.000 0.000 0.249 54 L C -0.019 177.060 176.870 0.347 0.000 1.172 54 L CA -0.255 54.648 54.840 0.106 0.000 0.980 54 L CB -0.330 41.762 42.059 0.055 0.000 1.299 54 L HN 0.497 nan 8.230 nan 0.000 0.535 55 N N 1.382 120.210 118.700 0.212 0.000 2.530 55 N HA 0.512 5.252 4.740 -0.000 0.000 0.273 55 N C 0.634 176.294 175.510 0.251 0.000 1.173 55 N CA 0.771 53.950 53.050 0.215 0.000 0.967 55 N CB 1.687 40.226 38.487 0.085 0.000 1.109 55 N HN 0.304 nan 8.380 nan 0.000 0.453 56 G N 0.771 109.755 108.800 0.307 0.000 2.366 56 G HA2 -0.061 3.899 3.960 -0.000 0.000 0.190 56 G HA3 -0.061 3.899 3.960 -0.000 0.000 0.190 56 G C -1.349 173.790 174.900 0.399 0.000 1.299 56 G CA -0.749 44.511 45.100 0.267 0.000 1.056 56 G HN 0.467 nan 8.290 nan 0.000 0.468 57 E N -0.305 120.088 120.200 0.322 0.000 2.313 57 E HA 0.529 4.879 4.350 -0.000 0.000 0.276 57 E C -1.131 175.738 176.600 0.449 0.000 1.031 57 E CA -0.127 56.471 56.400 0.328 0.000 0.857 57 E CB 0.809 30.615 29.700 0.177 0.000 1.040 57 E HN 0.383 nan 8.360 nan 0.000 0.408 58 W N 1.657 123.046 121.300 0.147 0.000 3.047 58 W HA 0.402 5.062 4.660 -0.000 0.000 0.341 58 W C -0.529 176.108 176.519 0.196 0.000 1.225 58 W CA -0.740 56.721 57.345 0.195 0.000 1.150 58 W CB 0.879 30.510 29.460 0.286 0.000 1.470 58 W HN 0.265 nan 8.180 nan 0.000 0.578 59 R N 1.603 122.365 120.500 0.437 0.000 2.474 59 R HA 0.656 4.996 4.340 -0.000 0.000 0.295 59 R C -1.402 175.101 176.300 0.338 0.000 0.980 59 R CA -0.784 55.507 56.100 0.318 0.000 0.934 59 R CB 1.578 32.011 30.300 0.221 0.000 1.101 59 R HN 0.450 nan 8.270 nan 0.000 0.469 60 F N 0.523 120.493 119.950 0.033 0.000 2.578 60 F HA 0.664 5.190 4.527 -0.000 0.000 0.311 60 F C -1.479 174.181 175.800 -0.233 0.000 1.094 60 F CA -0.624 57.257 58.000 -0.199 0.000 0.923 60 F CB 2.082 40.852 39.000 -0.383 0.000 1.230 60 F HN 0.680 nan 8.300 nan 0.000 0.450 61 A N 4.229 126.168 122.820 -1.468 0.000 2.549 61 A HA 0.601 4.921 4.320 -0.000 0.000 0.297 61 A C -2.493 174.217 177.584 -1.457 0.000 1.061 61 A CA -0.561 50.802 52.037 -1.124 0.000 0.690 61 A CB 0.779 19.477 19.000 -0.503 0.000 1.287 61 A HN 0.970 nan 8.150 nan 0.000 0.402 62 W N 1.816 122.337 121.300 -1.299 0.000 2.689 62 W HA 0.793 5.453 4.660 -0.000 0.000 0.340 62 W C -1.968 173.956 176.519 -0.992 0.000 1.060 62 W CA -0.442 56.302 57.345 -1.002 0.000 1.218 62 W CB 1.449 30.506 29.460 -0.672 0.000 1.410 62 W HN 0.519 nan 8.180 nan 0.000 0.528 63 F N 4.807 124.121 119.950 -1.060 0.000 2.631 63 F HA 0.349 4.875 4.527 -0.000 0.000 0.308 63 F C -1.532 173.457 175.800 -1.353 0.000 1.097 63 F CA -2.390 55.115 58.000 -0.824 0.000 0.952 63 F CB 1.395 40.074 39.000 -0.535 0.000 1.307 63 F HN 0.142 nan 8.300 nan 0.000 0.450 64 P HA 0.077 nan 4.420 nan 0.000 0.226 64 P C -0.240 176.965 177.300 -0.158 0.000 1.153 64 P CA 1.041 63.960 63.100 -0.301 0.000 0.777 64 P CB 0.577 32.317 31.700 0.066 0.000 0.794 65 A N -1.056 121.677 122.820 -0.145 0.000 2.605 65 A HA 0.521 4.841 4.320 -0.000 0.000 0.294 65 A C -2.379 175.107 177.584 -0.162 0.000 1.062 65 A CA -1.088 50.893 52.037 -0.093 0.000 0.682 65 A CB 0.610 19.615 19.000 0.007 0.000 1.278 65 A HN -0.290 nan 8.150 nan 0.000 0.410 66 P HA -0.142 nan 4.420 nan 0.000 0.216 66 P C 0.846 178.035 177.300 -0.185 0.000 1.150 66 P CA 1.646 64.600 63.100 -0.242 0.000 0.837 66 P CB 0.203 31.733 31.700 -0.284 0.000 0.786 67 E N 0.290 120.447 120.200 -0.071 0.000 2.171 67 E HA -0.138 4.212 4.350 -0.000 0.000 0.197 67 E C 2.101 178.653 176.600 -0.080 0.000 0.997 67 E CA 1.538 57.917 56.400 -0.035 0.000 0.810 67 E CB -0.893 28.824 29.700 0.029 0.000 0.738 67 E HN 0.228 nan 8.360 nan 0.000 0.467 68 A N 0.728 123.487 122.820 -0.102 0.000 2.206 68 A HA 0.032 4.352 4.320 -0.000 0.000 0.211 68 A C 0.846 178.252 177.584 -0.297 0.000 1.158 68 A CA 0.070 52.063 52.037 -0.072 0.000 0.761 68 A CB -0.010 19.040 19.000 0.083 0.000 0.801 68 A HN 0.043 nan 8.150 nan 0.000 0.473 69 V N 2.530 122.108 119.914 -0.559 0.000 2.572 69 V HA 0.213 4.333 4.120 -0.000 0.000 0.291 69 V C -2.132 173.747 176.094 -0.358 0.000 1.039 69 V CA -1.307 60.488 62.300 -0.842 0.000 1.055 69 V CB 0.756 32.008 31.823 -0.951 0.000 0.969 69 V HN 0.338 nan 8.190 nan 0.000 0.482 70 P HA 0.330 nan 4.420 nan 0.000 0.294 70 P C 0.441 177.718 177.300 -0.039 0.000 1.294 70 P CA -0.520 62.529 63.100 -0.085 0.000 0.827 70 P CB 1.643 33.339 31.700 -0.006 0.000 0.992 71 E N 1.714 121.887 120.200 -0.045 0.000 2.169 71 E HA -0.234 4.116 4.350 -0.000 0.000 0.202 71 E C 1.671 178.234 176.600 -0.062 0.000 1.016 71 E CA 2.424 58.789 56.400 -0.058 0.000 0.817 71 E CB -0.292 29.375 29.700 -0.055 0.000 0.736 71 E HN 0.438 nan 8.360 nan 0.000 0.462 72 S N -0.202 115.485 115.700 -0.021 0.000 2.383 72 S HA -0.231 4.239 4.470 -0.000 0.000 0.229 72 S C 1.412 175.988 174.600 -0.039 0.000 1.030 72 S CA 1.124 59.311 58.200 -0.021 0.000 1.002 72 S CB -0.739 62.473 63.200 0.020 0.000 0.829 72 S HN 0.548 nan 8.310 nan 0.000 0.467 73 W N 2.695 123.903 121.300 -0.153 0.000 2.292 73 W HA -0.185 4.475 4.660 -0.000 0.000 0.304 73 W C 1.589 177.993 176.519 -0.193 0.000 1.228 73 W CA 1.103 58.349 57.345 -0.166 0.000 1.241 73 W CB -0.641 28.692 29.460 -0.212 0.000 1.142 73 W HN 0.246 nan 8.180 nan 0.000 0.520 74 L N 0.055 120.955 121.223 -0.537 0.000 2.083 74 L HA -0.206 4.134 4.340 -0.000 0.000 0.209 74 L C 2.516 179.106 176.870 -0.466 0.000 1.083 74 L CA 1.506 55.926 54.840 -0.700 0.000 0.752 74 L CB -0.670 41.038 42.059 -0.585 0.000 0.899 74 L HN -0.037 nan 8.230 nan 0.000 0.433 75 E N -1.458 118.565 120.200 -0.295 0.000 2.132 75 E HA 0.103 4.453 4.350 -0.000 0.000 0.193 75 E C 0.272 176.780 176.600 -0.153 0.000 0.951 75 E CA 0.388 56.678 56.400 -0.184 0.000 0.843 75 E CB 0.282 29.914 29.700 -0.113 0.000 0.807 75 E HN 0.307 nan 8.360 nan 0.000 0.467 76 C N 2.217 121.438 119.300 -0.131 0.000 2.563 76 C HA 0.362 4.822 4.460 -0.000 0.000 0.314 76 C C -0.092 174.885 174.990 -0.022 0.000 1.199 76 C CA -1.307 57.671 59.018 -0.067 0.000 1.564 76 C CB 1.445 29.169 27.740 -0.027 0.000 2.173 76 C HN 0.214 nan 8.230 nan 0.000 0.485 77 D N 1.601 122.008 120.400 0.011 0.000 2.419 77 D HA 0.193 4.833 4.640 -0.000 0.000 0.236 77 D C 0.025 176.398 176.300 0.121 0.000 1.165 77 D CA 0.503 54.561 54.000 0.096 0.000 0.882 77 D CB 0.620 41.473 40.800 0.088 0.000 1.201 77 D HN 0.367 nan 8.370 nan 0.000 0.443 78 L N 2.510 123.835 121.223 0.171 0.000 2.421 78 L HA 0.206 4.546 4.340 -0.000 0.000 0.263 78 L C -1.027 175.888 176.870 0.075 0.000 1.122 78 L CA -1.541 53.373 54.840 0.124 0.000 0.804 78 L CB 0.622 42.763 42.059 0.136 0.000 1.150 78 L HN 0.261 nan 8.230 nan 0.000 0.457 79 P HA -0.082 nan 4.420 nan 0.000 0.217 79 P C 0.634 177.951 177.300 0.027 0.000 1.154 79 P CA 1.033 64.154 63.100 0.036 0.000 0.841 79 P CB 0.186 31.903 31.700 0.028 0.000 0.788 80 E N 0.064 120.275 120.200 0.018 0.000 2.502 80 E HA 0.264 4.614 4.350 -0.000 0.000 0.194 80 E C 0.756 177.351 176.600 -0.008 0.000 1.062 80 E CA -0.142 56.256 56.400 -0.003 0.000 0.867 80 E CB -0.490 29.192 29.700 -0.030 0.000 0.888 80 E HN 0.177 nan 8.360 nan 0.000 0.510 81 A N 1.540 124.367 122.820 0.013 0.000 2.425 81 A HA 0.108 4.428 4.320 -0.000 0.000 0.249 81 A C -0.102 177.520 177.584 0.062 0.000 1.084 81 A CA -0.394 51.652 52.037 0.015 0.000 0.781 81 A CB 0.388 19.422 19.000 0.056 0.000 1.019 81 A HN 0.034 nan 8.150 nan 0.000 0.490 82 D N 0.533 120.996 120.400 0.105 0.000 2.387 82 D HA 0.418 5.058 4.640 -0.000 0.000 0.255 82 D C -0.517 175.881 176.300 0.163 0.000 1.081 82 D CA 0.108 54.196 54.000 0.146 0.000 0.994 82 D CB 1.336 42.269 40.800 0.221 0.000 1.127 82 D HN 0.423 nan 8.370 nan 0.000 0.513 83 T N 0.798 115.432 114.554 0.134 0.000 2.758 83 T HA 0.431 4.781 4.350 -0.000 0.000 0.285 83 T C -0.191 174.583 174.700 0.122 0.000 0.981 83 T CA -0.444 61.742 62.100 0.142 0.000 0.965 83 T CB 1.079 70.010 68.868 0.106 0.000 0.927 83 T HN 0.016 nan 8.240 nan 0.000 0.448 84 V N 3.703 123.721 119.914 0.173 0.000 3.001 84 V HA 0.513 4.633 4.120 -0.000 0.000 0.314 84 V C -0.264 175.938 176.094 0.181 0.000 1.099 84 V CA -0.801 61.564 62.300 0.108 0.000 0.989 84 V CB 2.588 34.487 31.823 0.127 0.000 1.040 84 V HN 0.631 nan 8.190 nan 0.000 0.434 85 V N 3.472 123.467 119.914 0.136 0.000 2.546 85 V HA 0.432 4.552 4.120 -0.000 0.000 0.284 85 V C -0.210 175.960 176.094 0.126 0.000 1.050 85 V CA -0.212 62.180 62.300 0.153 0.000 0.981 85 V CB 1.633 33.517 31.823 0.102 0.000 0.990 85 V HN 0.548 nan 8.190 nan 0.000 0.474 86 V N 7.609 127.532 119.914 0.015 0.000 2.487 86 V HA 0.478 4.598 4.120 -0.000 0.000 0.298 86 V C -2.253 173.754 176.094 -0.145 0.000 1.028 86 V CA -1.592 60.586 62.300 -0.205 0.000 0.860 86 V CB 2.461 33.810 31.823 -0.790 0.000 0.991 86 V HN 0.778 nan 8.190 nan 0.000 0.427 87 P HA 0.615 nan 4.420 nan 0.000 0.282 87 P C -0.899 176.353 177.300 -0.079 0.000 1.259 87 P CA -0.300 62.707 63.100 -0.155 0.000 0.826 87 P CB 1.738 33.349 31.700 -0.149 0.000 1.064 88 S N -0.081 115.590 115.700 -0.048 0.000 2.656 88 S HA 0.382 4.852 4.470 -0.000 0.000 0.265 88 S C -1.488 173.075 174.600 -0.062 0.000 1.110 88 S CA -1.013 57.145 58.200 -0.071 0.000 0.821 88 S CB 0.102 63.257 63.200 -0.076 0.000 1.099 88 S HN 0.358 nan 8.310 nan 0.000 0.471 89 N N 1.034 119.621 118.700 -0.189 0.000 2.417 89 N HA 0.448 5.188 4.740 -0.000 0.000 0.274 89 N C 0.430 175.792 175.510 -0.247 0.000 0.987 89 N CA -0.759 52.155 53.050 -0.227 0.000 0.912 89 N CB 0.760 39.070 38.487 -0.294 0.000 1.177 89 N HN 0.828 nan 8.380 nan 0.000 0.490 90 W N 2.782 123.963 121.300 -0.199 0.000 2.421 90 W HA -0.091 4.569 4.660 -0.000 0.000 0.270 90 W C 0.877 177.371 176.519 -0.042 0.000 1.233 90 W CA 0.913 58.139 57.345 -0.197 0.000 1.226 90 W CB -0.386 28.887 29.460 -0.311 0.000 1.121 90 W HN 0.509 nan 8.180 nan 0.000 0.579 91 Q N 0.296 120.087 119.800 -0.016 0.000 2.224 91 Q HA -0.105 4.235 4.340 -0.000 0.000 0.203 91 Q C 2.029 177.999 176.000 -0.050 0.000 0.970 91 Q CA 1.597 57.409 55.803 0.016 0.000 0.865 91 Q CB -0.565 28.064 28.738 -0.180 0.000 0.922 91 Q HN 0.211 nan 8.270 nan 0.000 0.445 92 M N -0.937 118.572 119.600 -0.151 0.000 2.630 92 M HA -0.024 4.456 4.480 -0.000 0.000 0.254 92 M C 0.474 176.773 176.300 -0.001 0.000 1.092 92 M CA 1.263 56.468 55.300 -0.159 0.000 1.087 92 M CB -0.519 31.925 32.600 -0.260 0.000 1.453 92 M HN 0.345 nan 8.290 nan 0.000 0.509 93 H N -1.618 117.487 119.070 0.059 0.000 2.755 93 H HA 0.358 4.913 4.556 -0.000 0.000 0.273 93 H C 1.322 176.542 175.328 -0.180 0.000 1.055 93 H CA 0.192 56.254 56.048 0.023 0.000 1.191 93 H CB 0.732 30.609 29.762 0.191 0.000 1.536 93 H HN 0.492 nan 8.280 nan 0.000 0.529 94 G N 0.466 109.262 108.800 -0.008 0.000 2.195 94 G HA2 -0.359 3.601 3.960 -0.000 0.000 0.224 94 G HA3 -0.359 3.601 3.960 -0.000 0.000 0.224 94 G C 0.530 175.287 174.900 -0.238 0.000 0.990 94 G CA 0.278 45.275 45.100 -0.172 0.000 0.639 94 G HN 0.406 nan 8.290 nan 0.000 0.514 95 Y N 2.153 122.423 120.300 -0.050 0.000 2.165 95 Y HA 0.201 4.751 4.550 -0.000 0.000 0.286 95 Y C 1.676 177.297 175.900 -0.465 0.000 1.155 95 Y CA 1.614 59.510 58.100 -0.340 0.000 1.164 95 Y CB -0.197 37.983 38.460 -0.467 0.000 0.978 95 Y HN 0.634 nan 8.280 nan 0.000 0.513 96 D N -2.314 118.164 120.400 0.130 0.000 2.692 96 D HA 0.549 5.189 4.640 -0.000 0.000 0.303 96 D C -1.190 175.213 176.300 0.171 0.000 1.278 96 D CA -0.817 53.282 54.000 0.166 0.000 0.852 96 D CB 0.806 41.876 40.800 0.450 0.000 1.375 96 D HN 0.038 nan 8.370 nan 0.000 0.453 97 A N -0.245 122.680 122.820 0.175 0.000 2.304 97 A HA 0.717 5.037 4.320 -0.000 0.000 0.301 97 A C -2.431 175.193 177.584 0.067 0.000 1.132 97 A CA -1.244 50.870 52.037 0.128 0.000 0.819 97 A CB 0.151 19.282 19.000 0.218 0.000 1.094 97 A HN 0.505 nan 8.150 nan 0.000 0.492 98 P HA 0.464 nan 4.420 nan 0.000 0.278 98 P C -0.872 176.576 177.300 0.247 0.000 1.238 98 P CA 0.060 63.109 63.100 -0.085 0.000 0.794 98 P CB 0.704 32.102 31.700 -0.502 0.000 0.955 99 I N 2.399 123.201 120.570 0.386 0.000 2.441 99 I HA 0.284 4.454 4.170 -0.000 0.000 0.295 99 I C -0.504 175.800 176.117 0.312 0.000 0.994 99 I CA -0.942 60.584 61.300 0.377 0.000 1.144 99 I CB 1.622 39.772 38.000 0.249 0.000 1.314 99 I HN 0.312 nan 8.210 nan 0.000 0.445 100 Y N 5.588 125.853 120.300 -0.059 0.000 2.842 100 Y HA 0.427 4.977 4.550 -0.000 0.000 0.334 100 Y C -0.248 175.496 175.900 -0.259 0.000 1.019 100 Y CA -0.324 57.462 58.100 -0.524 0.000 1.258 100 Y CB 0.972 38.499 38.460 -1.556 0.000 1.106 100 Y HN 0.549 nan 8.280 nan 0.000 0.545 101 T N 3.863 117.900 114.554 -0.861 0.000 2.887 101 T HA 0.270 4.620 4.350 -0.000 0.000 0.288 101 T C 0.329 174.521 174.700 -0.846 0.000 1.021 101 T CA -0.507 61.141 62.100 -0.753 0.000 1.000 101 T CB 1.398 70.046 68.868 -0.366 0.000 1.034 101 T HN 0.866 nan 8.240 nan 0.000 0.467 102 N N 2.095 120.372 118.700 -0.704 0.000 2.335 102 N HA 0.034 4.773 4.740 -0.000 0.000 0.197 102 N C 1.455 176.692 175.510 -0.455 0.000 1.045 102 N CA 0.484 53.234 53.050 -0.500 0.000 0.928 102 N CB 0.218 38.436 38.487 -0.448 0.000 1.118 102 N HN 0.354 nan 8.380 nan 0.000 0.471 103 V N 0.488 120.069 119.914 -0.555 0.000 2.436 103 V HA 0.053 4.173 4.120 -0.000 0.000 0.240 103 V C 0.557 176.311 176.094 -0.568 0.000 1.040 103 V CA 0.776 62.653 62.300 -0.706 0.000 1.052 103 V CB -0.061 31.274 31.823 -0.814 0.000 0.707 103 V HN 0.321 nan 8.190 nan 0.000 0.469 104 T N 1.224 115.521 114.554 -0.429 0.000 2.867 104 T HA 0.114 4.464 4.350 -0.000 0.000 0.297 104 T C -0.404 174.145 174.700 -0.252 0.000 0.989 104 T CA 0.327 62.255 62.100 -0.287 0.000 1.159 104 T CB -0.342 68.393 68.868 -0.221 0.000 0.928 104 T HN 0.192 nan 8.240 nan 0.000 0.538 105 Y N 5.200 125.391 120.300 -0.182 0.000 2.597 105 Y HA 0.111 4.661 4.550 -0.000 0.000 0.336 105 Y C -0.875 174.888 175.900 -0.229 0.000 1.216 105 Y CA -1.824 56.156 58.100 -0.200 0.000 1.463 105 Y CB 0.389 38.729 38.460 -0.200 0.000 1.303 105 Y HN 0.546 nan 8.280 nan 0.000 0.576 106 P HA -0.120 nan 4.420 nan 0.000 0.220 106 P C 0.166 177.277 177.300 -0.314 0.000 1.148 106 P CA 1.363 64.353 63.100 -0.183 0.000 0.803 106 P CB 0.149 31.749 31.700 -0.167 0.000 0.782 107 I N -4.403 115.900 120.570 -0.446 0.000 3.205 107 I HA 0.462 4.632 4.170 -0.000 0.000 0.310 107 I C -0.483 175.495 176.117 -0.232 0.000 1.089 107 I CA -1.043 59.983 61.300 -0.457 0.000 1.023 107 I CB 1.266 38.833 38.000 -0.721 0.000 1.269 107 I HN -0.418 nan 8.210 nan 0.000 0.512 108 T N 2.233 116.691 114.554 -0.160 0.000 2.884 108 T HA 0.242 4.592 4.350 -0.000 0.000 0.298 108 T C 0.140 174.820 174.700 -0.034 0.000 0.998 108 T CA -0.372 61.691 62.100 -0.061 0.000 1.124 108 T CB 1.141 70.001 68.868 -0.014 0.000 0.931 108 T HN 0.383 nan 8.240 nan 0.000 0.531 109 V N 4.612 124.524 119.914 -0.003 0.000 2.326 109 V HA 0.221 4.340 4.120 -0.000 0.000 0.249 109 V C 0.656 176.794 176.094 0.074 0.000 1.114 109 V CA -0.172 62.148 62.300 0.033 0.000 1.028 109 V CB -0.677 31.148 31.823 0.003 0.000 1.170 109 V HN 0.810 nan 8.190 nan 0.000 0.494 110 N N 5.405 124.209 118.700 0.174 0.000 2.673 110 N HA 0.277 5.016 4.740 -0.000 0.000 0.265 110 N C -2.974 172.581 175.510 0.075 0.000 1.709 110 N CA -1.454 51.685 53.050 0.149 0.000 0.792 110 N CB 1.462 40.093 38.487 0.240 0.000 1.286 110 N HN 0.250 nan 8.380 nan 0.000 0.506 111 P HA 0.151 nan 4.420 nan 0.000 0.262 111 P C -2.292 174.718 177.300 -0.482 0.000 1.182 111 P CA -0.687 61.950 63.100 -0.772 0.000 0.761 111 P CB 0.437 31.555 31.700 -0.970 0.000 0.795 112 P HA 0.250 nan 4.420 nan 0.000 0.266 112 P C -0.567 176.572 177.300 -0.268 0.000 1.561 112 P CA -0.344 62.500 63.100 -0.426 0.000 1.089 112 P CB 0.026 31.500 31.700 -0.377 0.000 1.534 113 F N -0.327 119.734 119.950 0.184 0.000 2.399 113 F HA 0.300 4.827 4.527 -0.000 0.000 0.342 113 F C 1.143 177.113 175.800 0.283 0.000 1.106 113 F CA -0.836 57.281 58.000 0.196 0.000 1.196 113 F CB 0.989 40.056 39.000 0.111 0.000 1.163 113 F HN -0.286 nan 8.300 nan 0.000 0.547 114 V N 3.179 123.382 119.914 0.482 0.000 2.994 114 V HA 0.450 4.570 4.120 -0.000 0.000 0.318 114 V C -1.957 174.322 176.094 0.309 0.000 1.085 114 V CA -1.944 60.566 62.300 0.350 0.000 0.998 114 V CB 2.096 34.222 31.823 0.504 0.000 1.063 114 V HN 0.550 nan 8.190 nan 0.000 0.447 115 P HA 0.140 nan 4.420 nan 0.000 0.274 115 P C 0.703 178.163 177.300 0.267 0.000 1.237 115 P CA 0.022 63.239 63.100 0.195 0.000 0.793 115 P CB 0.648 32.428 31.700 0.132 0.000 0.977 116 T N -1.052 113.623 114.554 0.201 0.000 2.833 116 T HA -0.141 4.209 4.350 -0.000 0.000 0.269 116 T C 0.308 175.124 174.700 0.193 0.000 1.054 116 T CA 1.113 63.332 62.100 0.197 0.000 1.135 116 T CB -0.652 68.297 68.868 0.135 0.000 0.869 116 T HN 0.372 nan 8.240 nan 0.000 0.466 117 E N 2.834 123.153 120.200 0.197 0.000 1.996 117 E HA 0.440 4.790 4.350 -0.000 0.000 0.280 117 E C -0.646 176.108 176.600 0.256 0.000 1.092 117 E CA -0.271 56.244 56.400 0.192 0.000 0.862 117 E CB 0.442 30.262 29.700 0.199 0.000 1.066 117 E HN 0.365 nan 8.360 nan 0.000 0.396 118 N N 3.625 122.426 118.700 0.168 0.000 2.577 118 N HA 0.267 5.006 4.740 -0.000 0.000 0.275 118 N C -2.848 172.629 175.510 -0.055 0.000 1.091 118 N CA -2.627 50.520 53.050 0.162 0.000 0.843 118 N CB 1.148 39.778 38.487 0.238 0.000 1.295 118 N HN -0.005 nan 8.380 nan 0.000 0.530 119 P HA -0.015 nan 4.420 nan 0.000 0.247 119 P C -0.651 176.524 177.300 -0.208 0.000 1.141 119 P CA 0.623 63.599 63.100 -0.206 0.000 0.858 119 P CB -0.106 31.748 31.700 0.257 0.000 0.804 120 T N 2.850 117.089 114.554 -0.524 0.000 2.837 120 T HA 0.550 4.900 4.350 -0.000 0.000 0.285 120 T C 0.691 174.953 174.700 -0.731 0.000 0.984 120 T CA -0.395 61.445 62.100 -0.435 0.000 1.049 120 T CB 1.345 69.969 68.868 -0.408 0.000 0.947 120 T HN 0.301 nan 8.240 nan 0.000 0.472 121 G N 1.128 109.617 108.800 -0.519 0.000 2.605 121 G HA2 0.476 4.436 3.960 -0.000 0.000 0.304 121 G HA3 0.476 4.436 3.960 -0.000 0.000 0.304 121 G C -0.320 174.386 174.900 -0.323 0.000 1.333 121 G CA -0.487 44.203 45.100 -0.684 0.000 0.973 121 G HN 0.899 nan 8.290 nan 0.000 0.507 122 C N 3.025 121.893 119.300 -0.721 0.000 2.281 122 C HA 0.511 4.971 4.460 -0.000 0.000 0.336 122 C C -0.387 174.471 174.990 -0.220 0.000 1.217 122 C CA -1.036 57.581 59.018 -0.668 0.000 1.730 122 C CB -1.750 24.993 27.740 -1.663 0.000 2.338 122 C HN 0.598 nan 8.230 nan 0.000 0.521 123 Y N 1.769 122.240 120.300 0.284 0.000 2.457 123 Y HA 0.671 5.221 4.550 -0.000 0.000 0.333 123 Y C 0.763 177.120 175.900 0.762 0.000 1.119 123 Y CA -0.432 58.006 58.100 0.562 0.000 1.143 123 Y CB 1.484 40.288 38.460 0.573 0.000 1.230 123 Y HN 0.732 nan 8.280 nan 0.000 0.469 124 S N 1.910 118.116 115.700 0.843 0.000 2.537 124 S HA 0.786 5.256 4.470 -0.000 0.000 0.271 124 S C -1.814 172.869 174.600 0.138 0.000 1.148 124 S CA -0.827 57.665 58.200 0.486 0.000 0.868 124 S CB 1.883 65.306 63.200 0.372 0.000 1.115 124 S HN 0.752 nan 8.310 nan 0.000 0.461 125 L N 0.664 121.810 121.223 -0.129 0.000 2.513 125 L HA 0.780 5.120 4.340 -0.000 0.000 0.261 125 L C -1.445 175.383 176.870 -0.069 0.000 0.945 125 L CA 0.025 54.623 54.840 -0.402 0.000 0.848 125 L CB 2.358 43.587 42.059 -1.383 0.000 1.334 125 L HN 0.863 nan 8.230 nan 0.000 0.407 126 T N 5.235 119.770 114.554 -0.033 0.000 2.770 126 T HA 0.748 5.098 4.350 -0.000 0.000 0.283 126 T C -0.914 173.853 174.700 0.112 0.000 0.988 126 T CA -0.078 62.046 62.100 0.040 0.000 0.957 126 T CB 0.378 69.225 68.868 -0.034 0.000 0.930 126 T HN 0.486 nan 8.240 nan 0.000 0.443 127 F N 0.850 120.716 119.950 -0.140 0.000 2.685 127 F HA 0.734 5.261 4.527 -0.000 0.000 0.315 127 F C -0.916 174.824 175.800 -0.100 0.000 1.126 127 F CA -1.514 56.410 58.000 -0.127 0.000 0.950 127 F CB 1.372 40.286 39.000 -0.144 0.000 1.360 127 F HN 0.228 nan 8.300 nan 0.000 0.469 128 N N 0.163 118.784 118.700 -0.132 0.000 2.399 128 N HA 0.665 5.405 4.740 -0.000 0.000 0.295 128 N C -1.643 173.789 175.510 -0.129 0.000 1.048 128 N CA -0.579 52.356 53.050 -0.191 0.000 0.886 128 N CB 2.183 40.600 38.487 -0.116 0.000 1.185 128 N HN 0.576 nan 8.380 nan 0.000 0.487 129 V N 1.495 121.296 119.914 -0.188 0.000 2.459 129 V HA 0.243 4.363 4.120 -0.000 0.000 0.295 129 V C -0.245 175.715 176.094 -0.224 0.000 1.029 129 V CA -0.951 61.247 62.300 -0.170 0.000 0.874 129 V CB 1.519 33.305 31.823 -0.061 0.000 0.985 129 V HN 0.661 nan 8.190 nan 0.000 0.438 130 D N 3.181 123.337 120.400 -0.407 0.000 2.424 130 D HA -0.013 4.626 4.640 -0.000 0.000 0.244 130 D C 1.300 177.506 176.300 -0.157 0.000 1.134 130 D CA 0.115 53.923 54.000 -0.321 0.000 0.881 130 D CB 1.202 41.748 40.800 -0.424 0.000 1.191 130 D HN 0.833 nan 8.370 nan 0.000 0.445 131 E N 2.235 122.389 120.200 -0.076 0.000 2.347 131 E HA -0.195 4.155 4.350 -0.000 0.000 0.196 131 E C 1.358 177.986 176.600 0.047 0.000 1.008 131 E CA 0.774 57.171 56.400 -0.004 0.000 0.852 131 E CB -0.031 29.665 29.700 -0.008 0.000 0.783 131 E HN 0.366 nan 8.360 nan 0.000 0.505 132 S N 0.340 116.066 115.700 0.043 0.000 2.370 132 S HA -0.184 4.286 4.470 -0.000 0.000 0.226 132 S C 1.442 176.139 174.600 0.163 0.000 1.033 132 S CA 1.308 59.568 58.200 0.101 0.000 1.011 132 S CB -0.596 62.673 63.200 0.115 0.000 0.852 132 S HN 0.585 nan 8.310 nan 0.000 0.457 133 W N 1.388 122.546 121.300 -0.236 0.000 2.392 133 W HA 0.195 4.855 4.660 -0.000 0.000 0.279 133 W C 2.120 178.587 176.519 -0.087 0.000 1.225 133 W CA 0.089 57.165 57.345 -0.447 0.000 1.233 133 W CB -0.799 28.427 29.460 -0.390 0.000 1.122 133 W HN 0.338 nan 8.180 nan 0.000 0.561 134 L N -0.542 120.811 121.223 0.217 0.000 2.341 134 L HA -0.138 4.202 4.340 -0.000 0.000 0.214 134 L C 2.197 179.143 176.870 0.125 0.000 1.115 134 L CA 0.872 55.811 54.840 0.165 0.000 0.820 134 L CB -0.255 41.872 42.059 0.112 0.000 0.944 134 L HN -0.000 nan 8.230 nan 0.000 0.452 135 Q N -0.258 119.609 119.800 0.112 0.000 2.008 135 Q HA -0.084 4.256 4.340 -0.000 0.000 0.196 135 Q C 0.842 176.898 176.000 0.094 0.000 0.973 135 Q CA 0.899 56.754 55.803 0.086 0.000 0.826 135 Q CB 0.011 28.790 28.738 0.068 0.000 0.894 135 Q HN 0.193 nan 8.270 nan 0.000 0.439 136 E N 0.592 120.866 120.200 0.122 0.000 2.235 136 E HA 0.464 4.813 4.350 -0.000 0.000 0.265 136 E C 0.295 177.000 176.600 0.175 0.000 0.940 136 E CA 0.015 56.484 56.400 0.116 0.000 0.819 136 E CB 1.264 31.018 29.700 0.089 0.000 1.206 136 E HN 0.287 nan 8.360 nan 0.000 0.409 137 G N 1.888 110.712 108.800 0.040 0.000 2.632 137 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.224 137 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.224 137 G C -0.946 173.887 174.900 -0.111 0.000 1.341 137 G CA 0.050 45.070 45.100 -0.133 0.000 0.880 137 G HN 0.783 nan 8.290 nan 0.000 0.566 138 Q N -0.397 119.208 119.800 -0.325 0.000 2.347 138 Q HA 0.646 4.986 4.340 -0.000 0.000 0.271 138 Q C -1.293 174.599 176.000 -0.179 0.000 1.064 138 Q CA -0.442 55.259 55.803 -0.170 0.000 0.800 138 Q CB 1.893 30.558 28.738 -0.120 0.000 1.304 138 Q HN 0.643 nan 8.270 nan 0.000 0.438 139 T N 4.964 119.543 114.554 0.040 0.000 2.815 139 T HA 0.483 4.833 4.350 -0.000 0.000 0.289 139 T C -0.715 174.067 174.700 0.137 0.000 1.000 139 T CA -0.630 61.545 62.100 0.125 0.000 0.958 139 T CB 0.566 69.624 68.868 0.317 0.000 0.944 139 T HN 0.625 nan 8.240 nan 0.000 0.442 140 R N 3.169 123.726 120.500 0.094 0.000 2.854 140 R HA 0.757 5.097 4.340 -0.000 0.000 0.271 140 R C -1.230 175.136 176.300 0.111 0.000 0.994 140 R CA -0.979 55.192 56.100 0.118 0.000 0.945 140 R CB 1.660 32.016 30.300 0.092 0.000 1.194 140 R HN 0.531 nan 8.270 nan 0.000 0.476 141 I N 2.724 123.368 120.570 0.123 0.000 2.460 141 I HA 0.431 4.601 4.170 -0.000 0.000 0.298 141 I C -1.029 175.096 176.117 0.013 0.000 0.989 141 I CA -1.364 59.951 61.300 0.025 0.000 1.173 141 I CB 1.398 39.392 38.000 -0.010 0.000 1.338 141 I HN 0.620 nan 8.210 nan 0.000 0.456 142 I N 7.227 127.702 120.570 -0.158 0.000 2.447 142 I HA 0.284 4.454 4.170 -0.000 0.000 0.287 142 I C -1.254 174.655 176.117 -0.347 0.000 1.023 142 I CA -0.406 60.816 61.300 -0.129 0.000 1.083 142 I CB 1.552 39.514 38.000 -0.064 0.000 1.245 142 I HN 0.369 nan 8.210 nan 0.000 0.434 143 F N 4.521 124.480 119.950 0.015 0.000 2.334 143 F HA 0.266 4.793 4.527 -0.000 0.000 0.367 143 F C 1.320 177.026 175.800 -0.156 0.000 1.115 143 F CA -0.493 57.448 58.000 -0.099 0.000 1.116 143 F CB 0.738 39.653 39.000 -0.141 0.000 1.230 143 F HN 0.462 nan 8.300 nan 0.000 0.484 144 D N 2.336 122.691 120.400 -0.075 0.000 2.263 144 D HA 0.015 4.655 4.640 -0.000 0.000 0.208 144 D C 1.003 177.157 176.300 -0.243 0.000 0.971 144 D CA 1.059 54.961 54.000 -0.163 0.000 0.867 144 D CB 0.285 40.946 40.800 -0.232 0.000 0.929 144 D HN 0.649 nan 8.370 nan 0.000 0.492 145 G N -0.880 107.706 108.800 -0.356 0.000 2.682 145 G HA2 0.431 4.391 3.960 -0.000 0.000 0.300 145 G HA3 0.431 4.391 3.960 -0.000 0.000 0.300 145 G C -1.621 172.908 174.900 -0.619 0.000 1.396 145 G CA -0.514 44.243 45.100 -0.571 0.000 1.104 145 G HN -0.051 nan 8.290 nan 0.000 0.587 146 V N 2.386 122.156 119.914 -0.241 0.000 2.612 146 V HA 0.555 4.675 4.120 -0.000 0.000 0.301 146 V C -0.898 175.258 176.094 0.103 0.000 1.059 146 V CA -1.165 61.030 62.300 -0.176 0.000 0.886 146 V CB 1.950 33.399 31.823 -0.623 0.000 1.007 146 V HN 0.756 nan 8.190 nan 0.000 0.426 147 N N 2.352 121.143 118.700 0.152 0.000 2.372 147 N HA 0.366 5.106 4.740 -0.000 0.000 0.285 147 N C 0.621 176.081 175.510 -0.082 0.000 1.008 147 N CA 0.188 53.258 53.050 0.035 0.000 0.880 147 N CB 2.377 40.785 38.487 -0.131 0.000 1.239 147 N HN 0.667 nan 8.380 nan 0.000 0.484 148 S N 2.056 117.736 115.700 -0.033 0.000 2.505 148 S HA 0.541 5.011 4.470 -0.000 0.000 0.216 148 S C 0.322 174.986 174.600 0.108 0.000 1.018 148 S CA 0.217 58.449 58.200 0.052 0.000 0.911 148 S CB 0.240 63.488 63.200 0.079 0.000 0.818 148 S HN 0.697 nan 8.310 nan 0.000 0.497 149 A N 0.724 123.621 122.820 0.129 0.000 2.606 149 A HA 0.795 5.115 4.320 -0.000 0.000 0.293 149 A C -1.268 176.460 177.584 0.239 0.000 1.082 149 A CA -0.934 51.166 52.037 0.105 0.000 0.685 149 A CB 0.939 20.020 19.000 0.134 0.000 1.284 149 A HN 1.188 nan 8.150 nan 0.000 0.408 150 F N -0.658 119.170 119.950 -0.203 0.000 2.725 150 F HA 0.696 5.223 4.527 -0.000 0.000 0.309 150 F C -1.363 174.442 175.800 0.009 0.000 1.132 150 F CA -0.777 57.192 58.000 -0.052 0.000 0.957 150 F CB 1.017 39.956 39.000 -0.101 0.000 1.286 150 F HN 0.643 nan 8.300 nan 0.000 0.440 151 H N 2.029 121.294 119.070 0.326 0.000 2.499 151 H HA 0.773 5.329 4.556 -0.000 0.000 0.340 151 H C -1.422 173.974 175.328 0.112 0.000 1.148 151 H CA -0.719 55.439 56.048 0.183 0.000 1.215 151 H CB 2.422 32.322 29.762 0.231 0.000 1.529 151 H HN 0.816 nan 8.280 nan 0.000 0.510 152 L N 2.407 123.526 121.223 -0.173 0.000 2.408 152 L HA 0.413 4.753 4.340 -0.000 0.000 0.268 152 L C -1.738 174.876 176.870 -0.426 0.000 0.986 152 L CA -0.529 54.242 54.840 -0.114 0.000 0.820 152 L CB 1.728 43.587 42.059 -0.333 0.000 1.303 152 L HN 0.513 nan 8.230 nan 0.000 0.411 153 W N 4.190 125.464 121.300 -0.044 0.000 2.761 153 W HA 0.624 5.284 4.660 -0.000 0.000 0.340 153 W C -1.138 175.314 176.519 -0.111 0.000 1.072 153 W CA -0.789 56.500 57.345 -0.094 0.000 1.215 153 W CB 2.095 31.529 29.460 -0.043 0.000 1.420 153 W HN 0.646 nan 8.180 nan 0.000 0.519 154 C N 4.830 124.201 119.300 0.119 0.000 2.397 154 C HA 0.298 4.758 4.460 -0.000 0.000 0.325 154 C C 0.162 175.253 174.990 0.168 0.000 1.201 154 C CA -0.389 58.683 59.018 0.090 0.000 1.377 154 C CB -0.497 27.219 27.740 -0.039 0.000 2.038 154 C HN 0.808 nan 8.230 nan 0.000 0.457 155 N N 3.712 122.481 118.700 0.115 0.000 2.727 155 N HA -0.187 4.553 4.740 -0.000 0.000 0.249 155 N C 0.985 176.554 175.510 0.097 0.000 1.048 155 N CA 2.064 55.161 53.050 0.078 0.000 0.714 155 N CB -1.330 37.207 38.487 0.083 0.000 0.959 155 N HN 1.872 nan 8.380 nan 0.000 0.544 156 G N -1.276 107.572 108.800 0.080 0.000 2.225 156 G HA2 -0.372 3.588 3.960 -0.000 0.000 0.254 156 G HA3 -0.372 3.588 3.960 -0.000 0.000 0.254 156 G C 0.174 175.243 174.900 0.282 0.000 0.988 156 G CA 0.550 45.692 45.100 0.069 0.000 0.625 156 G HN 0.550 nan 8.290 nan 0.000 0.527 157 R N -0.708 120.018 120.500 0.377 0.000 2.312 157 R HA 0.415 4.755 4.340 -0.000 0.000 0.311 157 R C -0.150 176.430 176.300 0.466 0.000 1.004 157 R CA -0.858 55.536 56.100 0.490 0.000 0.902 157 R CB 0.748 31.372 30.300 0.540 0.000 1.073 157 R HN 0.249 nan 8.270 nan 0.000 0.457 158 W N 4.189 125.620 121.300 0.219 0.000 2.308 158 W HA 0.055 4.715 4.660 -0.000 0.000 0.324 158 W C 0.025 176.386 176.519 -0.263 0.000 1.387 158 W CA 0.065 57.166 57.345 -0.406 0.000 1.250 158 W CB 0.616 29.849 29.460 -0.379 0.000 1.257 158 W HN 0.354 nan 8.180 nan 0.000 0.554 159 V N 5.522 124.581 119.914 -1.425 0.000 2.806 159 V HA 0.542 4.662 4.120 -0.000 0.000 0.239 159 V C 1.082 176.202 176.094 -1.623 0.000 1.113 159 V CA 0.973 62.491 62.300 -1.304 0.000 1.137 159 V CB -0.361 30.764 31.823 -1.163 0.000 0.865 159 V HN 0.801 nan 8.190 nan 0.000 0.482 160 G N -1.675 105.945 108.800 -1.967 0.000 2.340 160 G HA2 0.462 4.422 3.960 -0.000 0.000 0.299 160 G HA3 0.462 4.422 3.960 -0.000 0.000 0.299 160 G C -2.461 172.158 174.900 -0.468 0.000 1.291 160 G CA -0.281 44.138 45.100 -1.136 0.000 0.841 160 G HN -0.017 nan 8.290 nan 0.000 0.500 161 Y N -0.542 119.646 120.300 -0.186 0.000 2.562 161 Y HA 0.727 5.277 4.550 -0.000 0.000 0.345 161 Y C -0.075 175.650 175.900 -0.292 0.000 1.045 161 Y CA -0.144 57.761 58.100 -0.326 0.000 1.028 161 Y CB 2.266 40.663 38.460 -0.105 0.000 1.297 161 Y HN 1.291 nan 8.280 nan 0.000 0.463 162 G N 3.502 111.472 108.800 -1.383 0.000 2.733 162 G HA2 0.583 4.543 3.960 -0.000 0.000 0.297 162 G HA3 0.583 4.543 3.960 -0.000 0.000 0.297 162 G C -2.156 172.269 174.900 -0.792 0.000 1.422 162 G CA -0.902 43.663 45.100 -0.893 0.000 0.942 162 G HN 0.605 nan 8.290 nan 0.000 0.510 163 Q N -0.033 119.549 119.800 -0.363 0.000 2.496 163 Q HA 0.607 4.947 4.340 -0.000 0.000 0.286 163 Q C -1.331 174.657 176.000 -0.020 0.000 1.103 163 Q CA -0.882 54.832 55.803 -0.148 0.000 0.813 163 Q CB 2.735 31.431 28.738 -0.070 0.000 1.444 163 Q HN 0.637 nan 8.270 nan 0.000 0.443 164 D N -0.074 120.356 120.400 0.049 0.000 4.370 164 D HA -0.098 4.542 4.640 -0.000 0.000 0.238 164 D C -0.401 175.956 176.300 0.096 0.000 1.104 164 D CA 0.550 54.596 54.000 0.077 0.000 1.101 164 D CB -0.681 40.150 40.800 0.051 0.000 0.749 164 D HN 0.569 nan 8.370 nan 0.000 0.351 165 S N 3.110 118.883 115.700 0.122 0.000 2.500 165 S HA -0.162 4.308 4.470 -0.000 0.000 0.239 165 S C 1.696 176.415 174.600 0.199 0.000 0.989 165 S CA 0.999 59.300 58.200 0.169 0.000 0.951 165 S CB 0.025 63.315 63.200 0.151 0.000 0.759 165 S HN 0.642 nan 8.310 nan 0.000 0.523 166 R N 0.287 120.873 120.500 0.142 0.000 2.334 166 R HA 0.397 4.737 4.340 -0.000 0.000 0.212 166 R C 0.140 176.499 176.300 0.099 0.000 0.897 166 R CA 0.069 56.255 56.100 0.143 0.000 1.056 166 R CB -0.204 30.186 30.300 0.149 0.000 1.046 166 R HN 0.342 nan 8.270 nan 0.000 0.513 167 L N 1.917 123.173 121.223 0.056 0.000 2.333 167 L HA 0.501 4.841 4.340 -0.000 0.000 0.263 167 L C -2.432 174.426 176.870 -0.020 0.000 1.014 167 L CA -2.695 52.152 54.840 0.011 0.000 0.820 167 L CB 2.444 44.500 42.059 -0.004 0.000 1.352 167 L HN -0.210 nan 8.230 nan 0.000 0.421 168 P HA 0.055 nan 4.420 nan 0.000 0.265 168 P C -1.057 176.227 177.300 -0.027 0.000 1.193 168 P CA -0.044 63.028 63.100 -0.047 0.000 0.765 168 P CB 0.651 32.288 31.700 -0.105 0.000 0.823 169 S N 2.064 117.808 115.700 0.073 0.000 2.449 169 S HA 0.344 4.814 4.470 -0.000 0.000 0.310 169 S C -0.350 174.261 174.600 0.018 0.000 1.096 169 S CA -0.642 57.578 58.200 0.033 0.000 1.095 169 S CB 0.920 64.245 63.200 0.209 0.000 1.007 169 S HN 0.371 nan 8.310 nan 0.000 0.474 170 E N 1.912 121.937 120.200 -0.292 0.000 2.238 170 E HA 0.615 4.965 4.350 -0.000 0.000 0.267 170 E C -1.458 174.879 176.600 -0.439 0.000 0.887 170 E CA -0.629 55.674 56.400 -0.162 0.000 0.769 170 E CB 1.618 31.308 29.700 -0.016 0.000 1.187 170 E HN 0.428 nan 8.360 nan 0.000 0.416 171 F N 0.160 120.168 119.950 0.097 0.000 2.588 171 F HA 0.246 4.773 4.527 -0.000 0.000 0.310 171 F C -0.071 175.759 175.800 0.049 0.000 1.082 171 F CA -1.254 56.776 58.000 0.050 0.000 0.929 171 F CB 1.185 40.184 39.000 -0.002 0.000 1.254 171 F HN 0.234 nan 8.300 nan 0.000 0.455 172 D N 2.213 122.771 120.400 0.264 0.000 2.339 172 D HA 0.232 4.872 4.640 -0.000 0.000 0.256 172 D C 0.467 176.909 176.300 0.237 0.000 1.214 172 D CA 0.390 54.512 54.000 0.204 0.000 0.877 172 D CB 0.978 41.887 40.800 0.182 0.000 1.111 172 D HN 0.596 nan 8.370 nan 0.000 0.478 173 L N 2.533 123.894 121.223 0.229 0.000 2.554 173 L HA -0.038 4.302 4.340 -0.000 0.000 0.225 173 L C 2.217 179.338 176.870 0.419 0.000 1.104 173 L CA -0.085 54.925 54.840 0.283 0.000 0.866 173 L CB -0.001 42.189 42.059 0.218 0.000 1.047 173 L HN 0.321 nan 8.230 nan 0.000 0.468 174 S N 1.273 117.147 115.700 0.291 0.000 2.461 174 S HA -0.366 4.104 4.470 -0.000 0.000 0.266 174 S C 1.780 176.491 174.600 0.185 0.000 1.138 174 S CA 2.136 60.466 58.200 0.217 0.000 1.146 174 S CB -0.324 62.963 63.200 0.144 0.000 1.042 174 S HN 0.584 nan 8.310 nan 0.000 0.448 175 A N -0.934 121.989 122.820 0.171 0.000 2.307 175 A HA 0.455 4.775 4.320 -0.000 0.000 0.218 175 A C 0.928 178.388 177.584 -0.207 0.000 1.228 175 A CA 0.030 52.028 52.037 -0.065 0.000 0.857 175 A CB -0.274 18.565 19.000 -0.269 0.000 0.897 175 A HN 0.473 nan 8.150 nan 0.000 0.495 176 F N -1.042 118.948 119.950 0.068 0.000 2.746 176 F HA 0.370 4.897 4.527 -0.000 0.000 0.313 176 F C 0.507 176.341 175.800 0.056 0.000 1.095 176 F CA -0.656 57.381 58.000 0.061 0.000 1.224 176 F CB -0.013 39.026 39.000 0.065 0.000 1.060 176 F HN -0.057 nan 8.300 nan 0.000 0.584 177 L N 1.981 123.366 121.223 0.270 0.000 2.397 177 L HA 0.344 4.684 4.340 -0.000 0.000 0.271 177 L C 0.414 177.333 176.870 0.082 0.000 1.148 177 L CA -0.066 54.873 54.840 0.165 0.000 0.825 177 L CB 0.731 42.908 42.059 0.197 0.000 1.117 177 L HN 0.033 nan 8.230 nan 0.000 0.456 178 R N 1.459 121.969 120.500 0.018 0.000 2.787 178 R HA 0.681 5.021 4.340 -0.000 0.000 0.271 178 R C -0.542 175.734 176.300 -0.039 0.000 0.993 178 R CA -0.890 55.201 56.100 -0.015 0.000 0.993 178 R CB 1.798 32.071 30.300 -0.044 0.000 1.155 178 R HN 0.703 nan 8.270 nan 0.000 0.486 179 A N 0.795 123.594 122.820 -0.035 0.000 2.388 179 A HA 0.562 4.882 4.320 -0.000 0.000 0.257 179 A C 0.832 178.365 177.584 -0.085 0.000 1.095 179 A CA 0.704 52.712 52.037 -0.049 0.000 0.791 179 A CB 0.127 19.108 19.000 -0.032 0.000 1.029 179 A HN 0.870 nan 8.150 nan 0.000 0.489 180 G N 1.042 109.777 108.800 -0.108 0.000 2.536 180 G HA2 -0.214 3.745 3.960 -0.000 0.000 0.277 180 G HA3 -0.214 3.745 3.960 -0.000 0.000 0.277 180 G C 0.081 174.858 174.900 -0.206 0.000 1.155 180 G CA 0.302 45.322 45.100 -0.133 0.000 0.960 180 G HN 0.977 nan 8.290 nan 0.000 0.544 181 E N 2.334 122.419 120.200 -0.191 0.000 2.265 181 E HA 0.255 4.605 4.350 -0.000 0.000 0.272 181 E C -0.083 176.324 176.600 -0.322 0.000 1.067 181 E CA 0.025 56.277 56.400 -0.248 0.000 0.900 181 E CB 0.112 29.713 29.700 -0.164 0.000 1.017 181 E HN 0.368 nan 8.360 nan 0.000 0.431 182 N N 2.792 121.144 118.700 -0.580 0.000 2.328 182 N HA 0.396 5.136 4.740 -0.000 0.000 0.299 182 N C -0.790 174.437 175.510 -0.472 0.000 1.179 182 N CA -0.629 52.058 53.050 -0.604 0.000 0.793 182 N CB 2.183 40.086 38.487 -0.973 0.000 1.366 182 N HN 0.285 nan 8.380 nan 0.000 0.493 183 R N 1.541 121.945 120.500 -0.159 0.000 2.532 183 R HA 0.444 4.784 4.340 -0.000 0.000 0.297 183 R C -1.177 175.202 176.300 0.132 0.000 0.984 183 R CA -0.508 55.599 56.100 0.012 0.000 0.884 183 R CB 1.086 31.353 30.300 -0.055 0.000 1.182 183 R HN 0.489 nan 8.270 nan 0.000 0.442 184 L N 2.990 124.347 121.223 0.225 0.000 2.307 184 L HA 0.641 4.981 4.340 -0.000 0.000 0.282 184 L C -0.093 176.867 176.870 0.150 0.000 1.051 184 L CA -0.699 54.264 54.840 0.205 0.000 0.804 184 L CB 1.809 43.994 42.059 0.211 0.000 1.197 184 L HN 0.676 nan 8.230 nan 0.000 0.431 185 A N 3.678 126.592 122.820 0.156 0.000 2.375 185 A HA 0.670 4.990 4.320 -0.000 0.000 0.291 185 A C -0.883 177.024 177.584 0.539 0.000 1.160 185 A CA -0.441 51.629 52.037 0.055 0.000 0.747 185 A CB 1.240 19.672 19.000 -0.947 0.000 1.170 185 A HN 0.380 nan 8.150 nan 0.000 0.458 186 V N 3.533 123.928 119.914 0.803 0.000 2.347 186 V HA 0.451 4.571 4.120 -0.000 0.000 0.280 186 V C 0.131 176.716 176.094 0.817 0.000 1.021 186 V CA -0.243 62.504 62.300 0.746 0.000 0.847 186 V CB 1.204 33.310 31.823 0.471 0.000 0.990 186 V HN 0.944 nan 8.190 nan 0.000 0.444 187 M N 6.439 126.524 119.600 0.809 0.000 2.061 187 M HA 0.554 5.034 4.480 -0.000 0.000 0.346 187 M C -1.284 175.250 176.300 0.390 0.000 1.112 187 M CA -0.318 55.273 55.300 0.485 0.000 1.021 187 M CB 1.136 34.065 32.600 0.548 0.000 1.530 187 M HN 0.455 nan 8.290 nan 0.000 0.437 188 V N 6.767 126.869 119.914 0.314 0.000 2.439 188 V HA 0.417 4.537 4.120 -0.000 0.000 0.282 188 V C 0.032 176.278 176.094 0.253 0.000 1.039 188 V CA -0.743 61.741 62.300 0.307 0.000 0.913 188 V CB 1.180 33.224 31.823 0.367 0.000 0.983 188 V HN 0.791 nan 8.190 nan 0.000 0.460 189 L N 3.751 125.060 121.223 0.143 0.000 2.334 189 L HA 0.627 4.967 4.340 -0.000 0.000 0.275 189 L C 1.284 178.131 176.870 -0.038 0.000 1.036 189 L CA -0.728 54.121 54.840 0.015 0.000 0.807 189 L CB 1.318 43.267 42.059 -0.183 0.000 1.231 189 L HN 0.539 nan 8.230 nan 0.000 0.438 190 R N 1.636 122.022 120.500 -0.191 0.000 2.055 190 R HA 0.024 4.364 4.340 -0.000 0.000 0.228 190 R C -0.283 175.676 176.300 -0.567 0.000 1.143 190 R CA 1.409 57.137 56.100 -0.621 0.000 0.945 190 R CB 0.152 29.799 30.300 -1.089 0.000 0.841 190 R HN 0.613 nan 8.270 nan 0.000 0.429 191 W N 0.550 121.900 121.300 0.084 0.000 2.496 191 W HA 0.328 4.988 4.660 -0.000 0.000 0.327 191 W C -0.061 176.568 176.519 0.183 0.000 1.086 191 W CA -0.847 56.559 57.345 0.103 0.000 1.222 191 W CB 1.462 30.987 29.460 0.109 0.000 1.304 191 W HN 0.046 nan 8.180 nan 0.000 0.547 192 S N -0.902 115.085 115.700 0.478 0.000 2.688 192 S HA 0.217 4.687 4.470 -0.000 0.000 0.275 192 S C 0.149 175.000 174.600 0.420 0.000 1.175 192 S CA -0.545 57.948 58.200 0.488 0.000 0.818 192 S CB 1.297 64.748 63.200 0.419 0.000 1.157 192 S HN 0.620 nan 8.310 nan 0.000 0.482 193 D N 0.558 121.206 120.400 0.415 0.000 2.218 193 D HA 0.040 4.680 4.640 -0.000 0.000 0.204 193 D C 1.816 178.417 176.300 0.501 0.000 0.976 193 D CA 1.266 55.547 54.000 0.468 0.000 0.853 193 D CB -0.800 40.148 40.800 0.246 0.000 0.939 193 D HN 0.700 nan 8.370 nan 0.000 0.481 194 G N 0.053 109.067 108.800 0.356 0.000 2.462 194 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.220 194 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.220 194 G C 1.725 176.801 174.900 0.292 0.000 1.121 194 G CA 0.840 46.122 45.100 0.303 0.000 0.758 194 G HN 0.324 nan 8.290 nan 0.000 0.559 195 S N -0.145 115.715 115.700 0.266 0.000 2.399 195 S HA -0.102 4.367 4.470 -0.000 0.000 0.231 195 S C 1.900 176.585 174.600 0.142 0.000 1.022 195 S CA 0.760 59.079 58.200 0.197 0.000 0.983 195 S CB -0.400 62.911 63.200 0.184 0.000 0.803 195 S HN 0.566 nan 8.310 nan 0.000 0.480 196 Y N 1.019 121.422 120.300 0.171 0.000 2.483 196 Y HA 0.072 4.622 4.550 -0.000 0.000 0.291 196 Y C 1.501 177.497 175.900 0.160 0.000 1.143 196 Y CA 0.605 58.736 58.100 0.051 0.000 1.289 196 Y CB -0.166 38.204 38.460 -0.151 0.000 0.983 196 Y HN 0.194 nan 8.280 nan 0.000 0.556 197 L N -0.206 121.200 121.223 0.305 0.000 2.769 197 L HA 0.149 4.489 4.340 -0.000 0.000 0.240 197 L C 0.036 177.039 176.870 0.222 0.000 1.163 197 L CA 0.346 55.322 54.840 0.228 0.000 0.962 197 L CB 0.124 42.315 42.059 0.221 0.000 1.258 197 L HN 0.157 nan 8.230 nan 0.000 0.513 198 E N -0.298 120.048 120.200 0.244 0.000 3.646 198 E HA 0.041 4.391 4.350 -0.000 0.000 0.211 198 E C -0.453 176.253 176.600 0.176 0.000 1.034 198 E CA -0.071 56.457 56.400 0.213 0.000 1.341 198 E CB 0.529 30.348 29.700 0.199 0.000 1.202 198 E HN 0.029 nan 8.360 nan 0.000 0.447 199 D N 1.345 121.812 120.400 0.112 0.000 2.519 199 D HA 0.014 4.654 4.640 -0.000 0.000 0.238 199 D C -0.172 176.118 176.300 -0.015 0.000 1.192 199 D CA -0.002 53.951 54.000 -0.078 0.000 0.835 199 D CB 0.088 40.602 40.800 -0.476 0.000 0.975 199 D HN 0.066 nan 8.370 nan 0.000 0.490 200 Q N 0.362 120.244 119.800 0.137 0.000 2.421 200 Q HA 0.126 4.466 4.340 -0.000 0.000 0.255 200 Q C -0.087 176.022 176.000 0.181 0.000 1.013 200 Q CA 0.036 55.985 55.803 0.244 0.000 0.895 200 Q CB 0.544 29.569 28.738 0.479 0.000 1.271 200 Q HN 0.042 nan 8.270 nan 0.000 0.460 201 D N 2.704 123.240 120.400 0.228 0.000 2.441 201 D HA 0.194 4.834 4.640 -0.000 0.000 0.243 201 D C -0.816 175.635 176.300 0.250 0.000 1.257 201 D CA 0.155 54.255 54.000 0.167 0.000 1.027 201 D CB -0.401 40.519 40.800 0.200 0.000 1.084 201 D HN 0.485 nan 8.370 nan 0.000 0.514 202 M N 0.427 120.124 119.600 0.163 0.000 3.084 202 M HA 0.403 4.883 4.480 -0.000 0.000 0.273 202 M C -1.263 175.140 176.300 0.171 0.000 1.242 202 M CA -1.208 54.157 55.300 0.108 0.000 0.819 202 M CB 1.063 33.655 32.600 -0.012 0.000 1.625 202 M HN -0.076 nan 8.290 nan 0.000 0.493 203 W N 1.935 123.331 121.300 0.160 0.000 2.210 203 W HA 0.350 5.009 4.660 -0.000 0.000 0.330 203 W C 0.189 176.721 176.519 0.021 0.000 1.334 203 W CA -0.106 57.314 57.345 0.124 0.000 1.227 203 W CB 0.440 29.919 29.460 0.030 0.000 1.178 203 W HN 0.264 nan 8.180 nan 0.000 0.560 204 R N 4.827 125.497 120.500 0.283 0.000 2.205 204 R HA 0.394 4.734 4.340 -0.000 0.000 0.342 204 R C -0.154 176.171 176.300 0.042 0.000 1.058 204 R CA -0.181 56.016 56.100 0.163 0.000 0.904 204 R CB 0.098 30.546 30.300 0.246 0.000 1.089 204 R HN 0.564 nan 8.270 nan 0.000 0.471 205 M N 0.212 119.734 119.600 -0.130 0.000 2.792 205 M HA 0.527 5.007 4.480 -0.000 0.000 0.290 205 M C -0.119 175.867 176.300 -0.523 0.000 1.155 205 M CA -0.748 54.357 55.300 -0.326 0.000 0.781 205 M CB 2.222 34.620 32.600 -0.337 0.000 1.741 205 M HN 0.625 nan 8.290 nan 0.000 0.473 206 S N -1.260 114.000 115.700 -0.733 0.000 2.611 206 S HA 0.934 5.404 4.470 -0.000 0.000 0.268 206 S C -0.579 173.567 174.600 -0.758 0.000 1.156 206 S CA -0.272 57.398 58.200 -0.884 0.000 0.817 206 S CB 1.657 64.137 63.200 -1.199 0.000 1.122 206 S HN 1.421 nan 8.310 nan 0.000 0.466 207 G N 0.067 108.629 108.800 -0.397 0.000 2.362 207 G HA2 0.129 4.089 3.960 -0.000 0.000 0.517 207 G HA3 0.129 4.089 3.960 -0.000 0.000 0.517 207 G C -1.401 173.486 174.900 -0.021 0.000 1.256 207 G CA -0.576 44.548 45.100 0.040 0.000 1.027 207 G HN 1.179 nan 8.290 nan 0.000 0.491 208 I N 2.068 122.502 120.570 -0.226 0.000 2.316 208 I HA 0.290 4.460 4.170 -0.000 0.000 0.286 208 I C 1.132 177.117 176.117 -0.219 0.000 1.107 208 I CA -0.285 60.780 61.300 -0.392 0.000 1.219 208 I CB -0.128 37.416 38.000 -0.760 0.000 1.455 208 I HN 0.518 nan 8.210 nan 0.000 0.498 209 F N 4.098 123.913 119.950 -0.226 0.000 2.765 209 F HA 0.411 4.938 4.527 -0.000 0.000 0.302 209 F C 0.698 176.436 175.800 -0.105 0.000 1.111 209 F CA -0.459 57.442 58.000 -0.164 0.000 1.359 209 F CB 0.083 38.985 39.000 -0.164 0.000 1.097 209 F HN 0.133 nan 8.300 nan 0.000 0.577 210 R N 0.564 120.657 120.500 -0.679 0.000 2.888 210 R HA 0.238 4.578 4.340 -0.000 0.000 0.264 210 R C -1.037 175.097 176.300 -0.277 0.000 1.045 210 R CA -1.150 54.704 56.100 -0.411 0.000 0.962 210 R CB 0.500 30.533 30.300 -0.445 0.000 1.210 210 R HN -0.030 nan 8.270 nan 0.000 0.479 211 D N 0.771 121.074 120.400 -0.162 0.000 2.563 211 D HA 0.071 4.711 4.640 -0.000 0.000 0.229 211 D C -0.307 175.898 176.300 -0.158 0.000 1.159 211 D CA 0.536 54.464 54.000 -0.120 0.000 0.869 211 D CB 0.373 41.138 40.800 -0.057 0.000 1.203 211 D HN 0.062 nan 8.370 nan 0.000 0.478 212 V N 1.174 121.005 119.914 -0.137 0.000 2.487 212 V HA 0.601 4.721 4.120 -0.000 0.000 0.298 212 V C 0.008 176.016 176.094 -0.144 0.000 1.028 212 V CA -0.517 61.658 62.300 -0.208 0.000 0.860 212 V CB 1.796 33.518 31.823 -0.168 0.000 0.991 212 V HN 0.572 nan 8.190 nan 0.000 0.427 213 S N 4.196 119.773 115.700 -0.205 0.000 2.651 213 S HA 0.802 5.272 4.470 -0.000 0.000 0.279 213 S C -1.184 173.368 174.600 -0.081 0.000 1.148 213 S CA -0.716 57.426 58.200 -0.097 0.000 0.837 213 S CB 2.028 65.198 63.200 -0.050 0.000 1.138 213 S HN 0.522 nan 8.310 nan 0.000 0.478 214 L N 1.887 123.132 121.223 0.036 0.000 2.386 214 L HA 0.689 5.029 4.340 -0.000 0.000 0.271 214 L C -1.515 175.463 176.870 0.181 0.000 0.993 214 L CA -0.750 54.175 54.840 0.143 0.000 0.819 214 L CB 1.811 44.056 42.059 0.309 0.000 1.294 214 L HN 0.503 nan 8.230 nan 0.000 0.414 215 L N 2.298 123.578 121.223 0.097 0.000 2.410 215 L HA 0.503 4.843 4.340 -0.000 0.000 0.270 215 L C -1.090 175.665 176.870 -0.191 0.000 0.983 215 L CA -0.264 54.560 54.840 -0.027 0.000 0.822 215 L CB 1.732 43.786 42.059 -0.008 0.000 1.285 215 L HN 0.495 nan 8.230 nan 0.000 0.409 216 H N 3.905 122.635 119.070 -0.567 0.000 2.541 216 H HA 0.576 5.132 4.556 -0.000 0.000 0.316 216 H C -1.181 173.856 175.328 -0.486 0.000 1.043 216 H CA -0.187 55.368 56.048 -0.822 0.000 1.232 216 H CB 0.945 29.622 29.762 -1.808 0.000 1.406 216 H HN 0.624 nan 8.280 nan 0.000 0.469 217 K N 5.449 125.362 120.400 -0.813 0.000 2.385 217 K HA 0.424 4.744 4.320 -0.000 0.000 0.248 217 K C -2.721 173.514 176.600 -0.609 0.000 0.955 217 K CA -2.450 53.488 56.287 -0.581 0.000 0.816 217 K CB 1.775 34.047 32.500 -0.380 0.000 1.250 217 K HN 0.428 nan 8.250 nan 0.000 0.434 218 P HA -0.005 nan 4.420 nan 0.000 0.271 218 P C 0.193 177.363 177.300 -0.216 0.000 1.233 218 P CA -0.131 62.813 63.100 -0.260 0.000 0.789 218 P CB 0.484 32.086 31.700 -0.163 0.000 0.951 219 T N -2.603 111.863 114.554 -0.147 0.000 2.867 219 T HA -0.043 4.307 4.350 -0.000 0.000 0.268 219 T C 0.672 175.303 174.700 -0.115 0.000 1.057 219 T CA 1.269 63.300 62.100 -0.114 0.000 1.136 219 T CB -0.808 68.017 68.868 -0.071 0.000 0.874 219 T HN 0.318 nan 8.240 nan 0.000 0.466 220 T N 3.405 117.890 114.554 -0.115 0.000 2.853 220 T HA 0.437 4.787 4.350 -0.000 0.000 0.317 220 T C -0.280 174.335 174.700 -0.143 0.000 1.059 220 T CA -0.794 61.229 62.100 -0.128 0.000 0.954 220 T CB 0.670 69.473 68.868 -0.108 0.000 0.994 220 T HN 0.583 nan 8.240 nan 0.000 0.479 221 Q N 2.509 122.208 119.800 -0.168 0.000 2.605 221 Q HA 0.626 4.966 4.340 -0.000 0.000 0.296 221 Q C -0.960 174.931 176.000 -0.183 0.000 1.056 221 Q CA -1.228 54.461 55.803 -0.191 0.000 0.778 221 Q CB 1.494 30.081 28.738 -0.251 0.000 1.497 221 Q HN 0.412 nan 8.270 nan 0.000 0.443 222 I N 2.558 122.995 120.570 -0.222 0.000 2.436 222 I HA -0.001 4.169 4.170 -0.000 0.000 0.289 222 I C 0.678 176.627 176.117 -0.281 0.000 1.083 222 I CA 0.054 61.241 61.300 -0.189 0.000 1.372 222 I CB 0.998 38.853 38.000 -0.243 0.000 1.408 222 I HN 0.830 nan 8.210 nan 0.000 0.516 223 S N 2.841 118.495 115.700 -0.076 0.000 2.502 223 S HA 0.186 4.656 4.470 -0.000 0.000 0.215 223 S C 0.177 174.966 174.600 0.315 0.000 1.009 223 S CA -0.254 57.961 58.200 0.025 0.000 0.908 223 S CB 0.317 63.526 63.200 0.015 0.000 0.801 223 S HN 0.713 nan 8.310 nan 0.000 0.505 224 D N -0.333 120.262 120.400 0.325 0.000 2.720 224 D HA 0.503 5.143 4.640 -0.000 0.000 0.239 224 D C -1.833 174.676 176.300 0.349 0.000 1.218 224 D CA -0.735 53.503 54.000 0.396 0.000 0.748 224 D CB 1.473 42.396 40.800 0.205 0.000 1.387 224 D HN 0.219 nan 8.370 nan 0.000 0.438 225 F N -0.384 119.615 119.950 0.082 0.000 2.665 225 F HA 0.670 5.197 4.527 -0.000 0.000 0.308 225 F C -1.638 174.215 175.800 0.088 0.000 1.112 225 F CA -0.737 57.233 58.000 -0.049 0.000 0.972 225 F CB 1.313 40.341 39.000 0.047 0.000 1.295 225 F HN 0.304 nan 8.300 nan 0.000 0.440 226 H N 1.521 120.585 119.070 -0.009 0.000 2.768 226 H HA 0.783 5.339 4.556 -0.000 0.000 0.371 226 H C -1.427 173.888 175.328 -0.023 0.000 1.151 226 H CA -1.540 54.438 56.048 -0.118 0.000 1.165 226 H CB 2.749 32.464 29.762 -0.078 0.000 1.722 226 H HN 0.651 nan 8.280 nan 0.000 0.543 227 V N 1.326 121.285 119.914 0.075 0.000 2.715 227 V HA 0.808 4.928 4.120 -0.000 0.000 0.310 227 V C -0.713 175.359 176.094 -0.036 0.000 1.054 227 V CA -0.440 61.872 62.300 0.019 0.000 0.928 227 V CB 1.683 33.497 31.823 -0.015 0.000 1.007 227 V HN 0.965 nan 8.190 nan 0.000 0.437 228 A N 2.429 125.209 122.820 -0.066 0.000 2.520 228 A HA 0.841 5.161 4.320 -0.000 0.000 0.298 228 A C -0.486 177.011 177.584 -0.145 0.000 1.051 228 A CA -0.338 51.648 52.037 -0.085 0.000 0.690 228 A CB 2.083 21.056 19.000 -0.044 0.000 1.281 228 A HN 0.927 nan 8.150 nan 0.000 0.402 229 T N 0.026 114.487 114.554 -0.155 0.000 2.792 229 T HA 0.778 5.128 4.350 -0.000 0.000 0.280 229 T C -0.394 174.154 174.700 -0.253 0.000 0.990 229 T CA -0.664 61.279 62.100 -0.260 0.000 0.960 229 T CB 1.151 69.830 68.868 -0.316 0.000 0.939 229 T HN 0.694 nan 8.240 nan 0.000 0.439 230 R N 1.784 122.047 120.500 -0.396 0.000 2.711 230 R HA 0.774 5.114 4.340 -0.000 0.000 0.284 230 R C -1.180 174.752 176.300 -0.613 0.000 0.968 230 R CA -0.730 55.196 56.100 -0.290 0.000 0.924 230 R CB 1.558 31.785 30.300 -0.121 0.000 1.162 230 R HN 0.561 nan 8.270 nan 0.000 0.465 231 F N 0.230 120.186 119.950 0.011 0.000 2.631 231 F HA 0.387 4.914 4.527 -0.000 0.000 0.328 231 F C 0.417 176.109 175.800 -0.180 0.000 1.067 231 F CA -1.190 56.766 58.000 -0.073 0.000 0.969 231 F CB 0.933 39.827 39.000 -0.178 0.000 1.332 231 F HN 0.510 nan 8.300 nan 0.000 0.490 232 N N -0.024 118.678 118.700 0.003 0.000 2.448 232 N HA 0.087 4.827 4.740 -0.000 0.000 0.274 232 N C 0.586 175.954 175.510 -0.238 0.000 1.239 232 N CA -0.175 52.825 53.050 -0.083 0.000 0.982 232 N CB 0.082 38.542 38.487 -0.045 0.000 1.199 232 N HN 0.706 nan 8.380 nan 0.000 0.576 233 D N -0.624 119.677 120.400 -0.166 0.000 2.170 233 D HA -0.288 4.352 4.640 -0.000 0.000 0.193 233 D C 0.388 176.553 176.300 -0.226 0.000 1.004 233 D CA 2.072 55.969 54.000 -0.171 0.000 0.860 233 D CB -0.510 40.251 40.800 -0.065 0.000 0.931 233 D HN 0.761 nan 8.370 nan 0.000 0.448 234 D N -1.820 118.493 120.400 -0.145 0.000 2.431 234 D HA 0.010 4.650 4.640 -0.000 0.000 0.213 234 D C 0.395 176.800 176.300 0.176 0.000 1.130 234 D CA -0.708 53.311 54.000 0.032 0.000 0.834 234 D CB -1.008 39.838 40.800 0.076 0.000 0.985 234 D HN 0.287 nan 8.370 nan 0.000 0.504 235 F N 0.276 120.285 119.950 0.099 0.000 2.953 235 F HA -0.301 4.226 4.527 -0.000 0.000 0.292 235 F C 1.685 177.570 175.800 0.141 0.000 0.747 235 F CA 0.773 58.855 58.000 0.137 0.000 1.222 235 F CB -2.390 36.596 39.000 -0.023 0.000 1.457 235 F HN 0.198 nan 8.300 nan 0.000 0.383 236 S N -0.728 115.084 115.700 0.186 0.000 2.527 236 S HA 0.161 4.631 4.470 -0.000 0.000 0.222 236 S C 0.656 175.308 174.600 0.086 0.000 0.985 236 S CA 0.527 58.802 58.200 0.124 0.000 0.921 236 S CB 0.406 63.653 63.200 0.077 0.000 0.772 236 S HN 0.526 nan 8.310 nan 0.000 0.529 237 R N -0.152 120.407 120.500 0.098 0.000 2.584 237 R HA 0.687 5.027 4.340 -0.000 0.000 0.276 237 R C -1.604 174.709 176.300 0.022 0.000 1.046 237 R CA -0.104 56.015 56.100 0.032 0.000 0.906 237 R CB 1.803 32.105 30.300 0.004 0.000 1.215 237 R HN 0.264 nan 8.270 nan 0.000 0.449 238 A N 2.467 125.241 122.820 -0.077 0.000 2.479 238 A HA 0.781 5.101 4.320 -0.000 0.000 0.296 238 A C -1.491 176.003 177.584 -0.150 0.000 1.121 238 A CA -0.638 51.275 52.037 -0.207 0.000 0.743 238 A CB 2.192 21.028 19.000 -0.273 0.000 1.323 238 A HN 0.368 nan 8.150 nan 0.000 0.415 239 V N 1.216 121.022 119.914 -0.179 0.000 2.525 239 V HA 0.430 4.550 4.120 -0.000 0.000 0.299 239 V C -0.937 175.107 176.094 -0.083 0.000 1.034 239 V CA -0.366 61.874 62.300 -0.100 0.000 0.863 239 V CB 1.326 33.088 31.823 -0.102 0.000 0.999 239 V HN 0.848 nan 8.190 nan 0.000 0.423 240 L N 4.672 125.881 121.223 -0.023 0.000 2.292 240 L HA 0.659 4.999 4.340 -0.000 0.000 0.284 240 L C -0.093 176.741 176.870 -0.060 0.000 1.065 240 L CA 0.444 55.248 54.840 -0.059 0.000 0.806 240 L CB 1.257 43.303 42.059 -0.021 0.000 1.175 240 L HN 0.846 nan 8.230 nan 0.000 0.431 241 E N 4.736 124.895 120.200 -0.068 0.000 2.218 241 E HA 0.731 5.080 4.350 -0.000 0.000 0.263 241 E C -1.745 174.844 176.600 -0.018 0.000 0.879 241 E CA -0.839 55.536 56.400 -0.042 0.000 0.762 241 E CB 1.548 31.222 29.700 -0.043 0.000 1.166 241 E HN 0.848 nan 8.360 nan 0.000 0.415 242 A N 4.360 127.177 122.820 -0.006 0.000 2.331 242 A HA 0.474 4.794 4.320 -0.000 0.000 0.320 242 A C -0.852 176.735 177.584 0.006 0.000 1.138 242 A CA -0.711 51.345 52.037 0.031 0.000 0.790 242 A CB 1.352 20.383 19.000 0.051 0.000 1.206 242 A HN 0.761 nan 8.150 nan 0.000 0.470 243 E N 2.222 122.427 120.200 0.008 0.000 2.176 243 E HA 0.604 4.954 4.350 -0.000 0.000 0.267 243 E C -1.647 174.906 176.600 -0.078 0.000 0.893 243 E CA -0.518 55.844 56.400 -0.063 0.000 0.761 243 E CB 1.662 31.301 29.700 -0.101 0.000 1.133 243 E HN 0.388 nan 8.360 nan 0.000 0.409 244 V N 4.127 124.010 119.914 -0.053 0.000 2.604 244 V HA 0.374 4.494 4.120 -0.000 0.000 0.305 244 V C -0.523 175.616 176.094 0.075 0.000 1.043 244 V CA -0.787 61.522 62.300 0.016 0.000 0.888 244 V CB 1.682 33.493 31.823 -0.019 0.000 0.995 244 V HN 0.753 nan 8.190 nan 0.000 0.429 245 Q N 4.010 123.871 119.800 0.102 0.000 2.377 245 Q HA 0.842 5.182 4.340 -0.000 0.000 0.271 245 Q C -0.879 175.189 176.000 0.113 0.000 1.077 245 Q CA -0.881 54.995 55.803 0.121 0.000 0.820 245 Q CB 2.850 31.591 28.738 0.006 0.000 1.347 245 Q HN 0.842 nan 8.270 nan 0.000 0.444 246 M N -0.990 118.615 119.600 0.008 0.000 2.662 246 M HA 0.769 5.249 4.480 -0.000 0.000 0.310 246 M C -1.341 174.853 176.300 -0.177 0.000 1.204 246 M CA -0.463 54.743 55.300 -0.156 0.000 0.891 246 M CB 2.070 34.394 32.600 -0.460 0.000 1.732 246 M HN 0.556 nan 8.290 nan 0.000 0.467 247 C N 1.574 120.774 119.300 -0.166 0.000 2.561 247 C HA 1.016 5.476 4.460 -0.000 0.000 0.319 247 C C 0.657 175.550 174.990 -0.161 0.000 1.198 247 C CA 0.927 59.864 59.018 -0.135 0.000 1.665 247 C CB 0.875 28.556 27.740 -0.098 0.000 2.258 247 C HN 1.322 nan 8.230 nan 0.000 0.493 248 G N 3.469 112.188 108.800 -0.136 0.000 2.342 248 G HA2 0.081 4.041 3.960 -0.000 0.000 0.220 248 G HA3 0.081 4.041 3.960 -0.000 0.000 0.220 248 G C -1.173 173.645 174.900 -0.136 0.000 1.243 248 G CA -0.118 44.904 45.100 -0.130 0.000 1.083 248 G HN 0.902 nan 8.290 nan 0.000 0.500 249 E N 0.606 120.729 120.200 -0.128 0.000 2.001 249 E HA 0.623 4.973 4.350 -0.000 0.000 0.279 249 E C 0.144 176.640 176.600 -0.173 0.000 1.045 249 E CA -0.782 55.547 56.400 -0.119 0.000 0.833 249 E CB 1.096 30.753 29.700 -0.071 0.000 1.077 249 E HN 0.663 nan 8.360 nan 0.000 0.397 250 L N 4.427 125.537 121.223 -0.188 0.000 2.418 250 L HA 0.277 4.617 4.340 -0.000 0.000 0.274 250 L C -0.035 176.715 176.870 -0.200 0.000 1.135 250 L CA 0.025 54.723 54.840 -0.236 0.000 0.870 250 L CB 0.208 42.144 42.059 -0.205 0.000 1.154 250 L HN 0.491 nan 8.230 nan 0.000 0.462 251 R N 2.775 123.096 120.500 -0.298 0.000 2.725 251 R HA 0.164 4.504 4.340 -0.000 0.000 0.277 251 R C 0.098 176.164 176.300 -0.390 0.000 0.987 251 R CA -0.657 55.234 56.100 -0.349 0.000 0.901 251 R CB 1.648 31.557 30.300 -0.652 0.000 1.207 251 R HN 0.641 nan 8.270 nan 0.000 0.463 252 D N 1.266 121.553 120.400 -0.188 0.000 2.378 252 D HA -0.160 4.480 4.640 -0.000 0.000 0.222 252 D C 1.023 177.297 176.300 -0.043 0.000 0.980 252 D CA 1.198 55.157 54.000 -0.070 0.000 0.907 252 D CB -0.011 40.803 40.800 0.025 0.000 0.899 252 D HN 0.678 nan 8.370 nan 0.000 0.527 253 Y N -0.149 120.161 120.300 0.016 0.000 2.466 253 Y HA 0.355 4.905 4.550 -0.000 0.000 0.272 253 Y C 1.027 176.932 175.900 0.008 0.000 1.169 253 Y CA -0.874 57.235 58.100 0.015 0.000 1.285 253 Y CB -0.474 37.995 38.460 0.015 0.000 1.078 253 Y HN -0.230 nan 8.280 nan 0.000 0.523 254 L N 2.894 123.926 121.223 -0.317 0.000 2.461 254 L HA 0.283 4.623 4.340 -0.000 0.000 0.272 254 L C 0.255 177.074 176.870 -0.086 0.000 1.197 254 L CA 0.073 54.820 54.840 -0.155 0.000 0.836 254 L CB 0.434 42.431 42.059 -0.103 0.000 1.105 254 L HN 0.236 nan 8.230 nan 0.000 0.477 255 R N 1.934 122.290 120.500 -0.240 0.000 2.799 255 R HA 0.736 5.076 4.340 -0.000 0.000 0.270 255 R C -1.531 174.446 176.300 -0.539 0.000 1.010 255 R CA -0.823 55.020 56.100 -0.428 0.000 0.916 255 R CB 2.305 32.276 30.300 -0.548 0.000 1.228 255 R HN 0.286 nan 8.270 nan 0.000 0.469 256 V N 0.757 120.420 119.914 -0.418 0.000 2.709 256 V HA 0.522 4.642 4.120 -0.000 0.000 0.308 256 V C -0.535 175.505 176.094 -0.090 0.000 1.062 256 V CA -0.571 61.565 62.300 -0.274 0.000 0.901 256 V CB 2.432 34.021 31.823 -0.390 0.000 1.003 256 V HN 0.770 nan 8.190 nan 0.000 0.425 257 T N 3.511 118.098 114.554 0.055 0.000 2.861 257 T HA 0.689 5.038 4.350 -0.000 0.000 0.287 257 T C -0.908 173.802 174.700 0.016 0.000 1.003 257 T CA -0.463 61.683 62.100 0.076 0.000 0.977 257 T CB 1.905 70.875 68.868 0.170 0.000 0.996 257 T HN 0.362 nan 8.240 nan 0.000 0.448 258 V N 3.213 123.121 119.914 -0.010 0.000 2.531 258 V HA 0.704 4.824 4.120 -0.000 0.000 0.301 258 V C -0.423 175.661 176.094 -0.016 0.000 1.034 258 V CA -0.813 61.478 62.300 -0.014 0.000 0.865 258 V CB 1.900 33.706 31.823 -0.030 0.000 0.995 258 V HN 1.069 nan 8.190 nan 0.000 0.424 259 S N 5.097 120.806 115.700 0.016 0.000 2.536 259 S HA 0.864 5.334 4.470 -0.000 0.000 0.287 259 S C -1.091 173.491 174.600 -0.030 0.000 1.101 259 S CA -0.754 57.410 58.200 -0.061 0.000 0.950 259 S CB 2.369 65.563 63.200 -0.009 0.000 1.056 259 S HN 0.538 nan 8.310 nan 0.000 0.481 260 L N 2.079 123.178 121.223 -0.207 0.000 2.356 260 L HA 0.779 5.119 4.340 -0.000 0.000 0.277 260 L C -2.031 174.717 176.870 -0.202 0.000 0.996 260 L CA -0.305 54.511 54.840 -0.041 0.000 0.822 260 L CB 0.843 42.898 42.059 -0.006 0.000 1.256 260 L HN 0.877 nan 8.230 nan 0.000 0.413 261 W N 3.194 124.596 121.300 0.170 0.000 2.736 261 W HA 0.569 5.229 4.660 -0.000 0.000 0.335 261 W C -0.521 176.114 176.519 0.193 0.000 1.059 261 W CA -0.536 56.899 57.345 0.149 0.000 1.226 261 W CB 1.587 31.088 29.460 0.067 0.000 1.416 261 W HN 0.460 nan 8.180 nan 0.000 0.505 262 Q N 2.477 122.495 119.800 0.364 0.000 2.626 262 Q HA 0.490 4.830 4.340 -0.000 0.000 0.239 262 Q C 0.766 176.834 176.000 0.113 0.000 1.101 262 Q CA 0.685 56.548 55.803 0.100 0.000 0.918 262 Q CB 0.200 28.937 28.738 -0.001 0.000 1.151 262 Q HN 0.747 nan 8.270 nan 0.000 0.531 263 G N 2.431 111.298 108.800 0.111 0.000 2.950 263 G HA2 -0.357 3.603 3.960 -0.000 0.000 0.299 263 G HA3 -0.357 3.603 3.960 -0.000 0.000 0.299 263 G C 0.694 175.657 174.900 0.105 0.000 1.310 263 G CA 0.332 45.470 45.100 0.063 0.000 0.994 263 G HN 0.515 nan 8.290 nan 0.000 0.575 264 E N 1.315 121.589 120.200 0.122 0.000 2.307 264 E HA 0.215 4.565 4.350 -0.000 0.000 0.195 264 E C 1.274 178.078 176.600 0.341 0.000 0.975 264 E CA 0.983 57.468 56.400 0.142 0.000 0.878 264 E CB -0.056 29.688 29.700 0.073 0.000 0.845 264 E HN 0.524 nan 8.360 nan 0.000 0.488 265 T N 1.626 116.358 114.554 0.298 0.000 2.869 265 T HA 0.154 4.504 4.350 -0.000 0.000 0.295 265 T C 0.221 175.038 174.700 0.195 0.000 0.987 265 T CA -0.237 62.004 62.100 0.234 0.000 1.109 265 T CB 1.421 70.355 68.868 0.110 0.000 0.932 265 T HN -0.051 nan 8.240 nan 0.000 0.518 266 Q N 2.818 122.522 119.800 -0.159 0.000 2.296 266 Q HA 0.298 4.638 4.340 -0.000 0.000 0.257 266 Q C 0.176 175.941 176.000 -0.391 0.000 0.942 266 Q CA -0.486 54.829 55.803 -0.813 0.000 0.939 266 Q CB 0.917 28.868 28.738 -1.312 0.000 1.198 266 Q HN 0.558 nan 8.270 nan 0.000 0.429 267 V N 2.711 122.432 119.914 -0.322 0.000 2.685 267 V HA 0.298 4.418 4.120 -0.000 0.000 0.244 267 V C 0.415 176.414 176.094 -0.159 0.000 1.054 267 V CA 1.138 63.357 62.300 -0.135 0.000 1.076 267 V CB 0.159 31.999 31.823 0.029 0.000 0.725 267 V HN 0.798 nan 8.190 nan 0.000 0.467 268 A N -1.353 121.332 122.820 -0.225 0.000 2.599 268 A HA 0.751 5.071 4.320 -0.000 0.000 0.294 268 A C -0.828 176.636 177.584 -0.200 0.000 1.055 268 A CA -0.129 51.803 52.037 -0.173 0.000 0.683 268 A CB 1.795 20.729 19.000 -0.110 0.000 1.278 268 A HN 0.008 nan 8.150 nan 0.000 0.412 269 S N -1.174 114.439 115.700 -0.144 0.000 2.556 269 S HA 0.870 5.340 4.470 -0.000 0.000 0.271 269 S C -0.521 174.035 174.600 -0.075 0.000 1.135 269 S CA 0.148 58.278 58.200 -0.116 0.000 0.858 269 S CB 1.948 65.074 63.200 -0.122 0.000 1.114 269 S HN 2.266 nan 8.310 nan 0.000 0.468 270 G N 1.338 110.105 108.800 -0.055 0.000 2.759 270 G HA2 0.590 4.550 3.960 -0.000 0.000 0.297 270 G HA3 0.590 4.550 3.960 -0.000 0.000 0.297 270 G C -1.485 173.396 174.900 -0.031 0.000 1.434 270 G CA -0.349 44.724 45.100 -0.045 0.000 0.980 270 G HN 0.646 nan 8.290 nan 0.000 0.531 271 T N 0.049 114.587 114.554 -0.026 0.000 2.876 271 T HA 0.885 5.235 4.350 -0.000 0.000 0.289 271 T C -0.161 174.508 174.700 -0.052 0.000 1.014 271 T CA 0.127 62.219 62.100 -0.013 0.000 0.986 271 T CB 1.769 70.664 68.868 0.045 0.000 1.021 271 T HN 1.653 nan 8.240 nan 0.000 0.458 272 A N 3.599 126.357 122.820 -0.103 0.000 2.566 272 A HA 0.901 5.221 4.320 -0.000 0.000 0.290 272 A C -3.220 174.231 177.584 -0.222 0.000 1.071 272 A CA -1.460 50.495 52.037 -0.136 0.000 0.658 272 A CB 1.249 20.167 19.000 -0.137 0.000 1.285 272 A HN 0.524 nan 8.150 nan 0.000 0.427 273 P HA 0.631 nan 4.420 nan 0.000 0.287 273 P C -0.711 176.475 177.300 -0.191 0.000 1.279 273 P CA -0.451 62.558 63.100 -0.151 0.000 0.867 273 P CB 0.487 32.161 31.700 -0.043 0.000 1.127 274 F N 0.771 120.672 119.950 -0.082 0.000 2.539 274 F HA 0.406 4.933 4.527 -0.000 0.000 0.340 274 F C 1.586 177.364 175.800 -0.037 0.000 1.185 274 F CA 1.888 59.851 58.000 -0.062 0.000 1.333 274 F CB -0.086 38.870 39.000 -0.074 0.000 1.152 274 F HN 0.600 nan 8.300 nan 0.000 0.602 275 G N 1.343 110.263 108.800 0.200 0.000 3.393 275 G HA2 0.350 4.310 3.960 -0.000 0.000 0.676 275 G HA3 0.350 4.310 3.960 -0.000 0.000 0.676 275 G C -0.433 174.512 174.900 0.076 0.000 1.224 275 G CA -0.793 44.380 45.100 0.121 0.000 1.109 275 G HN 1.052 nan 8.290 nan 0.000 0.519 276 G N 0.624 109.488 108.800 0.107 0.000 2.588 276 G HA2 0.675 4.634 3.960 -0.000 0.000 0.281 276 G HA3 0.675 4.634 3.960 -0.000 0.000 0.281 276 G C 0.165 175.100 174.900 0.059 0.000 1.236 276 G CA -0.394 44.761 45.100 0.090 0.000 0.969 276 G HN 0.843 nan 8.290 nan 0.000 0.504 277 E N -0.943 119.289 120.200 0.052 0.000 2.374 277 E HA 0.311 4.661 4.350 -0.000 0.000 0.260 277 E C -0.272 176.347 176.600 0.032 0.000 1.101 277 E CA -0.482 55.938 56.400 0.032 0.000 0.907 277 E CB 0.817 30.533 29.700 0.027 0.000 1.014 277 E HN 0.218 nan 8.360 nan 0.000 0.427 278 I N 2.472 123.050 120.570 0.013 0.000 2.683 278 I HA -0.080 4.090 4.170 -0.000 0.000 0.286 278 I C 1.221 177.342 176.117 0.007 0.000 1.175 278 I CA 0.606 61.906 61.300 -0.000 0.000 1.429 278 I CB 0.156 38.152 38.000 -0.007 0.000 1.371 278 I HN 0.622 nan 8.210 nan 0.000 0.569 279 I N 1.754 122.321 120.570 -0.006 0.000 3.883 279 I HA 0.315 4.485 4.170 -0.000 0.000 0.305 279 I C -0.259 175.855 176.117 -0.006 0.000 1.247 279 I CA 0.316 61.622 61.300 0.011 0.000 1.350 279 I CB 0.386 38.415 38.000 0.049 0.000 1.194 279 I HN 0.636 nan 8.210 nan 0.000 0.441 280 D N -0.014 120.370 120.400 -0.027 0.000 2.921 280 D HA 0.180 4.820 4.640 -0.000 0.000 0.329 280 D C 0.274 176.557 176.300 -0.029 0.000 1.293 280 D CA -0.455 53.531 54.000 -0.023 0.000 0.964 280 D CB 0.615 41.401 40.800 -0.023 0.000 1.435 280 D HN -0.156 nan 8.370 nan 0.000 0.548 281 E N -0.881 119.305 120.200 -0.024 0.000 2.267 281 E HA -0.052 4.298 4.350 -0.000 0.000 0.197 281 E C 1.452 178.032 176.600 -0.032 0.000 0.998 281 E CA 1.008 57.394 56.400 -0.023 0.000 0.830 281 E CB -0.051 29.638 29.700 -0.018 0.000 0.751 281 E HN 0.246 nan 8.360 nan 0.000 0.491 282 R N -0.499 119.973 120.500 -0.046 0.000 2.300 282 R HA 0.251 4.591 4.340 -0.000 0.000 0.199 282 R C 0.769 177.027 176.300 -0.070 0.000 0.920 282 R CA 0.661 56.727 56.100 -0.056 0.000 1.046 282 R CB 0.798 31.059 30.300 -0.064 0.000 0.984 282 R HN 0.206 nan 8.270 nan 0.000 0.493 283 G N -0.489 108.268 108.800 -0.072 0.000 2.295 283 G HA2 -0.061 3.899 3.960 -0.000 0.000 0.195 283 G HA3 -0.061 3.899 3.960 -0.000 0.000 0.195 283 G C -0.509 174.331 174.900 -0.101 0.000 1.269 283 G CA -0.651 44.405 45.100 -0.073 0.000 1.170 283 G HN 0.381 nan 8.290 nan 0.000 0.511 284 G N -1.827 106.908 108.800 -0.108 0.000 3.140 284 G HA2 0.650 4.610 3.960 -0.000 0.000 0.271 284 G HA3 0.650 4.610 3.960 -0.000 0.000 0.271 284 G C -1.536 173.238 174.900 -0.210 0.000 1.370 284 G CA -0.805 44.228 45.100 -0.112 0.000 1.014 284 G HN 0.710 nan 8.290 nan 0.000 0.541 285 Y N 0.686 120.998 120.300 0.020 0.000 2.404 285 Y HA 0.417 4.967 4.550 -0.000 0.000 0.344 285 Y C 1.410 177.333 175.900 0.039 0.000 0.995 285 Y CA 0.189 58.305 58.100 0.026 0.000 1.201 285 Y CB 1.864 40.346 38.460 0.036 0.000 1.151 285 Y HN 0.539 nan 8.280 nan 0.000 0.517 286 A N 1.893 124.793 122.820 0.133 0.000 2.016 286 A HA -0.118 4.202 4.320 -0.000 0.000 0.217 286 A C 1.240 178.903 177.584 0.132 0.000 1.162 286 A CA 1.269 53.365 52.037 0.100 0.000 0.662 286 A CB -0.238 18.780 19.000 0.029 0.000 0.812 286 A HN 0.793 nan 8.150 nan 0.000 0.450 287 D N -0.321 120.155 120.400 0.126 0.000 2.561 287 D HA 0.161 4.800 4.640 -0.000 0.000 0.232 287 D C 0.326 176.758 176.300 0.220 0.000 1.198 287 D CA -0.110 53.900 54.000 0.016 0.000 0.826 287 D CB -0.135 40.624 40.800 -0.068 0.000 0.992 287 D HN 0.429 nan 8.370 nan 0.000 0.490 288 R N -1.042 119.696 120.500 0.396 0.000 2.781 288 R HA 0.754 5.094 4.340 -0.000 0.000 0.269 288 R C -1.601 174.825 176.300 0.209 0.000 1.025 288 R CA -1.227 55.063 56.100 0.318 0.000 0.914 288 R CB 2.741 33.088 30.300 0.078 0.000 1.236 288 R HN -0.015 nan 8.270 nan 0.000 0.465 289 V N 0.162 120.075 119.914 -0.003 0.000 3.000 289 V HA 0.498 4.618 4.120 -0.000 0.000 0.300 289 V C -1.598 174.425 176.094 -0.118 0.000 1.251 289 V CA -0.245 61.976 62.300 -0.132 0.000 0.972 289 V CB 2.683 34.269 31.823 -0.396 0.000 1.065 289 V HN 0.831 nan 8.190 nan 0.000 0.431 290 T N 7.448 121.952 114.554 -0.084 0.000 2.792 290 T HA 0.727 5.077 4.350 -0.000 0.000 0.280 290 T C -0.714 173.945 174.700 -0.069 0.000 0.990 290 T CA -0.209 61.852 62.100 -0.065 0.000 0.960 290 T CB 1.170 70.017 68.868 -0.034 0.000 0.939 290 T HN 0.534 nan 8.240 nan 0.000 0.439 291 L N 3.058 124.241 121.223 -0.066 0.000 2.330 291 L HA 0.640 4.980 4.340 -0.000 0.000 0.271 291 L C 0.407 177.250 176.870 -0.046 0.000 1.013 291 L CA -0.736 54.067 54.840 -0.061 0.000 0.816 291 L CB 1.442 43.460 42.059 -0.068 0.000 1.287 291 L HN 0.372 nan 8.230 nan 0.000 0.435 292 R N 3.224 123.697 120.500 -0.045 0.000 2.435 292 R HA 0.608 4.948 4.340 -0.000 0.000 0.308 292 R C -1.529 174.744 176.300 -0.044 0.000 0.975 292 R CA -0.606 55.468 56.100 -0.043 0.000 0.867 292 R CB 1.327 31.603 30.300 -0.041 0.000 1.171 292 R HN 0.474 nan 8.270 nan 0.000 0.470 293 L N 2.828 124.026 121.223 -0.041 0.000 2.307 293 L HA 0.459 4.799 4.340 -0.000 0.000 0.284 293 L C -0.025 176.819 176.870 -0.043 0.000 1.023 293 L CA -1.086 53.728 54.840 -0.043 0.000 0.810 293 L CB 1.330 43.364 42.059 -0.041 0.000 1.231 293 L HN 0.425 nan 8.230 nan 0.000 0.423 294 N N 2.353 121.021 118.700 -0.053 0.000 2.479 294 N HA 0.445 5.185 4.740 -0.000 0.000 0.285 294 N C -0.864 174.599 175.510 -0.078 0.000 1.075 294 N CA -0.308 52.705 53.050 -0.061 0.000 0.967 294 N CB 2.768 41.221 38.487 -0.056 0.000 1.137 294 N HN 0.221 nan 8.380 nan 0.000 0.472 295 V N 1.860 121.710 119.914 -0.107 0.000 2.525 295 V HA 0.219 4.339 4.120 -0.000 0.000 0.299 295 V C -0.098 175.909 176.094 -0.145 0.000 1.034 295 V CA -0.843 61.359 62.300 -0.163 0.000 0.863 295 V CB 2.103 33.732 31.823 -0.323 0.000 0.999 295 V HN 0.510 nan 8.190 nan 0.000 0.423 296 E N 3.670 123.811 120.200 -0.099 0.000 2.231 296 E HA 0.332 4.681 4.350 -0.000 0.000 0.277 296 E C -0.154 176.415 176.600 -0.052 0.000 0.999 296 E CA -0.499 55.865 56.400 -0.060 0.000 0.827 296 E CB 0.845 30.524 29.700 -0.034 0.000 1.101 296 E HN 0.669 nan 8.360 nan 0.000 0.393 297 N N 1.668 120.357 118.700 -0.018 0.000 2.688 297 N HA -0.116 4.624 4.740 -0.000 0.000 0.258 297 N C -2.339 173.164 175.510 -0.011 0.000 1.016 297 N CA 0.375 53.431 53.050 0.009 0.000 0.747 297 N CB -1.172 37.326 38.487 0.018 0.000 0.895 297 N HN 0.369 nan 8.380 nan 0.000 0.543 298 P HA 0.096 nan 4.420 nan 0.000 0.270 298 P C -0.015 177.299 177.300 0.024 0.000 1.223 298 P CA 0.285 63.269 63.100 -0.194 0.000 0.785 298 P CB 0.820 32.152 31.700 -0.613 0.000 0.923 299 K N 1.538 122.044 120.400 0.176 0.000 2.234 299 K HA 0.378 4.698 4.320 -0.000 0.000 0.277 299 K C -0.068 176.699 176.600 0.277 0.000 1.038 299 K CA -0.505 55.893 56.287 0.186 0.000 0.888 299 K CB 0.431 33.016 32.500 0.141 0.000 1.091 299 K HN 0.386 nan 8.250 nan 0.000 0.467 300 L N 2.572 123.883 121.223 0.148 0.000 2.395 300 L HA 0.296 4.636 4.340 -0.000 0.000 0.269 300 L C -0.075 176.874 176.870 0.131 0.000 1.133 300 L CA -0.689 54.239 54.840 0.146 0.000 0.812 300 L CB 0.399 42.389 42.059 -0.115 0.000 1.125 300 L HN 0.598 nan 8.230 nan 0.000 0.452 301 W N 3.191 124.515 121.300 0.041 0.000 2.376 301 W HA 0.478 5.138 4.660 -0.000 0.000 0.322 301 W C 0.087 176.542 176.519 -0.105 0.000 1.160 301 W CA 0.112 57.460 57.345 0.005 0.000 1.218 301 W CB 1.357 30.866 29.460 0.081 0.000 1.205 301 W HN 0.618 nan 8.180 nan 0.000 0.559 302 S N 2.875 117.979 115.700 -0.993 0.000 2.615 302 S HA 0.633 5.103 4.470 -0.000 0.000 0.269 302 S C -0.005 173.828 174.600 -1.277 0.000 1.161 302 S CA -0.336 57.363 58.200 -0.835 0.000 0.817 302 S CB 1.091 63.997 63.200 -0.489 0.000 1.131 302 S HN 1.036 nan 8.310 nan 0.000 0.467 303 A N 0.393 122.645 122.820 -0.946 0.000 2.066 303 A HA 0.126 4.446 4.320 -0.000 0.000 0.218 303 A C 1.701 178.969 177.584 -0.526 0.000 1.157 303 A CA 1.244 52.719 52.037 -0.937 0.000 0.670 303 A CB -0.849 17.473 19.000 -1.130 0.000 0.804 303 A HN 0.869 nan 8.150 nan 0.000 0.453 304 E N -0.777 119.241 120.200 -0.303 0.000 2.112 304 E HA 0.085 4.435 4.350 -0.000 0.000 0.190 304 E C -0.289 176.178 176.600 -0.223 0.000 0.979 304 E CA 0.679 56.968 56.400 -0.185 0.000 0.814 304 E CB 0.076 29.795 29.700 0.031 0.000 0.762 304 E HN 0.590 nan 8.360 nan 0.000 0.460 305 I N 1.417 121.809 120.570 -0.298 0.000 2.576 305 I HA 0.146 4.316 4.170 -0.000 0.000 0.279 305 I C -2.601 173.277 176.117 -0.398 0.000 1.114 305 I CA -1.865 59.282 61.300 -0.254 0.000 1.076 305 I CB 2.203 40.104 38.000 -0.165 0.000 1.212 305 I HN -0.235 nan 8.210 nan 0.000 0.472 306 P HA 0.082 nan 4.420 nan 0.000 0.226 306 P C -0.583 176.704 177.300 -0.022 0.000 1.783 306 P CA -0.160 62.645 63.100 -0.490 0.000 0.980 306 P CB -0.353 31.239 31.700 -0.180 0.000 1.967 307 N N 1.882 120.593 118.700 0.018 0.000 2.468 307 N HA 0.120 4.860 4.740 -0.000 0.000 0.265 307 N C 0.134 175.869 175.510 0.376 0.000 1.199 307 N CA 0.358 53.496 53.050 0.147 0.000 0.928 307 N CB 0.842 39.402 38.487 0.121 0.000 1.059 307 N HN 0.273 nan 8.380 nan 0.000 0.467 308 L N 2.239 123.602 121.223 0.235 0.000 2.323 308 L HA 0.526 4.866 4.340 -0.000 0.000 0.265 308 L C -0.802 176.156 176.870 0.147 0.000 1.012 308 L CA -0.890 54.116 54.840 0.277 0.000 0.820 308 L CB 1.153 43.339 42.059 0.211 0.000 1.334 308 L HN 0.390 nan 8.230 nan 0.000 0.427 309 Y N -0.078 120.348 120.300 0.211 0.000 2.602 309 Y HA 0.577 5.127 4.550 -0.000 0.000 0.342 309 Y C -0.324 175.683 175.900 0.179 0.000 1.029 309 Y CA -0.828 57.404 58.100 0.219 0.000 1.080 309 Y CB 2.052 40.691 38.460 0.298 0.000 1.284 309 Y HN 0.383 nan 8.280 nan 0.000 0.485 310 R N 1.187 121.924 120.500 0.394 0.000 2.445 310 R HA 0.860 5.200 4.340 -0.000 0.000 0.308 310 R C -1.515 174.989 176.300 0.340 0.000 0.961 310 R CA -0.618 55.651 56.100 0.282 0.000 0.862 310 R CB 1.044 31.429 30.300 0.141 0.000 1.144 310 R HN 0.794 nan 8.270 nan 0.000 0.447 311 A N 3.757 126.716 122.820 0.232 0.000 2.343 311 A HA 0.613 4.933 4.320 -0.000 0.000 0.316 311 A C -1.188 176.479 177.584 0.138 0.000 1.104 311 A CA -0.645 51.519 52.037 0.212 0.000 0.768 311 A CB 1.593 20.689 19.000 0.159 0.000 1.213 311 A HN 0.459 nan 8.150 nan 0.000 0.456 312 V N 2.385 122.388 119.914 0.149 0.000 2.540 312 V HA 0.525 4.645 4.120 -0.000 0.000 0.302 312 V C -0.448 175.643 176.094 -0.005 0.000 1.035 312 V CA -0.639 61.690 62.300 0.049 0.000 0.873 312 V CB 1.582 33.450 31.823 0.076 0.000 0.992 312 V HN 0.620 nan 8.190 nan 0.000 0.428 313 V N 4.723 124.574 119.914 -0.106 0.000 2.350 313 V HA 0.465 4.585 4.120 -0.000 0.000 0.285 313 V C -0.174 175.873 176.094 -0.079 0.000 1.014 313 V CA -0.545 61.667 62.300 -0.147 0.000 0.831 313 V CB 1.332 32.930 31.823 -0.374 0.000 1.000 313 V HN 1.028 nan 8.190 nan 0.000 0.433 314 E N 5.013 125.213 120.200 -0.001 0.000 2.176 314 E HA 0.563 4.913 4.350 -0.000 0.000 0.267 314 E C -1.118 175.564 176.600 0.138 0.000 0.893 314 E CA -1.064 55.381 56.400 0.074 0.000 0.761 314 E CB 2.811 32.573 29.700 0.104 0.000 1.133 314 E HN 0.417 nan 8.360 nan 0.000 0.409 315 L N 5.303 126.580 121.223 0.091 0.000 2.261 315 L HA 0.271 4.610 4.340 -0.000 0.000 0.289 315 L C -0.599 176.347 176.870 0.126 0.000 1.059 315 L CA 0.153 55.030 54.840 0.061 0.000 0.816 315 L CB -0.126 41.950 42.059 0.028 0.000 1.191 315 L HN 0.686 nan 8.230 nan 0.000 0.431 316 H N 1.243 120.340 119.070 0.045 0.000 2.942 316 H HA 0.615 5.171 4.556 -0.000 0.000 0.316 316 H C -1.060 174.322 175.328 0.090 0.000 1.323 316 H CA -0.358 55.724 56.048 0.057 0.000 1.144 316 H CB 1.032 30.819 29.762 0.041 0.000 1.866 316 H HN 0.488 nan 8.280 nan 0.000 0.545 317 T N -2.619 112.092 114.554 0.262 0.000 2.927 317 T HA 0.528 4.878 4.350 -0.000 0.000 0.281 317 T C 1.479 176.359 174.700 0.300 0.000 0.998 317 T CA -0.226 62.038 62.100 0.274 0.000 1.019 317 T CB 1.461 70.524 68.868 0.325 0.000 1.061 317 T HN 0.774 nan 8.240 nan 0.000 0.518 318 A N 1.194 124.162 122.820 0.246 0.000 1.978 318 A HA -0.140 4.180 4.320 -0.000 0.000 0.220 318 A C 2.048 179.729 177.584 0.163 0.000 1.170 318 A CA 1.832 53.983 52.037 0.189 0.000 0.636 318 A CB -1.072 18.023 19.000 0.159 0.000 0.810 318 A HN 0.999 nan 8.150 nan 0.000 0.448 319 D N -1.903 118.577 120.400 0.134 0.000 2.178 319 D HA 0.067 4.707 4.640 -0.000 0.000 0.201 319 D C 1.330 177.676 176.300 0.077 0.000 0.980 319 D CA 1.392 55.439 54.000 0.079 0.000 0.842 319 D CB -0.316 40.508 40.800 0.039 0.000 0.948 319 D HN 0.843 nan 8.370 nan 0.000 0.472 320 G N -0.075 108.798 108.800 0.121 0.000 2.227 320 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.168 320 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.168 320 G C 0.244 175.162 174.900 0.030 0.000 1.006 320 G CA 0.036 45.159 45.100 0.039 0.000 0.684 320 G HN 0.328 nan 8.290 nan 0.000 0.489 321 T N 2.044 116.653 114.554 0.092 0.000 2.769 321 T HA 0.427 4.777 4.350 -0.000 0.000 0.293 321 T C 0.589 175.364 174.700 0.125 0.000 0.931 321 T CA -0.005 62.145 62.100 0.083 0.000 1.139 321 T CB 1.093 70.007 68.868 0.076 0.000 0.881 321 T HN 0.399 nan 8.240 nan 0.000 0.532 322 L N 5.021 126.295 121.223 0.084 0.000 2.360 322 L HA 0.205 4.544 4.340 -0.000 0.000 0.276 322 L C 0.696 177.622 176.870 0.095 0.000 1.121 322 L CA -0.353 54.550 54.840 0.104 0.000 0.845 322 L CB 0.439 42.531 42.059 0.056 0.000 1.143 322 L HN 0.641 nan 8.230 nan 0.000 0.452 323 I N 3.492 124.123 120.570 0.102 0.000 2.339 323 I HA 0.028 4.197 4.170 -0.000 0.000 0.245 323 I C 0.611 176.742 176.117 0.023 0.000 1.096 323 I CA 0.852 62.185 61.300 0.055 0.000 1.408 323 I CB 0.009 38.032 38.000 0.039 0.000 1.092 323 I HN 0.751 nan 8.210 nan 0.000 0.423 324 E N -0.414 119.802 120.200 0.026 0.000 2.409 324 E HA 0.708 5.058 4.350 -0.000 0.000 0.280 324 E C -1.626 174.994 176.600 0.034 0.000 1.079 324 E CA -1.116 55.291 56.400 0.013 0.000 0.840 324 E CB 1.368 31.032 29.700 -0.059 0.000 1.309 324 E HN -0.048 nan 8.360 nan 0.000 0.447 325 A N 1.328 124.196 122.820 0.081 0.000 2.475 325 A HA 0.724 5.044 4.320 -0.000 0.000 0.301 325 A C -1.123 176.581 177.584 0.199 0.000 1.059 325 A CA -0.703 51.393 52.037 0.098 0.000 0.710 325 A CB 1.810 20.866 19.000 0.093 0.000 1.288 325 A HN 0.530 nan 8.150 nan 0.000 0.408 326 E N -0.379 119.874 120.200 0.088 0.000 2.392 326 E HA 0.792 5.142 4.350 -0.000 0.000 0.269 326 E C -0.585 176.051 176.600 0.060 0.000 0.924 326 E CA -0.611 55.902 56.400 0.187 0.000 0.784 326 E CB 2.501 32.222 29.700 0.035 0.000 1.292 326 E HN 1.123 nan 8.360 nan 0.000 0.447 327 A N 0.090 123.067 122.820 0.261 0.000 2.588 327 A HA 0.844 5.164 4.320 -0.000 0.000 0.290 327 A C -1.129 176.641 177.584 0.311 0.000 1.136 327 A CA -0.380 51.737 52.037 0.134 0.000 0.681 327 A CB 1.098 20.065 19.000 -0.054 0.000 1.282 327 A HN 0.921 nan 8.150 nan 0.000 0.421 328 C N -0.878 118.566 119.300 0.240 0.000 3.292 328 C HA 0.740 5.200 4.460 -0.000 0.000 0.338 328 C C -1.669 173.412 174.990 0.151 0.000 1.323 328 C CA -1.011 58.142 59.018 0.225 0.000 1.232 328 C CB 0.943 28.834 27.740 0.251 0.000 1.517 328 C HN 0.808 nan 8.230 nan 0.000 0.470 329 D N 1.059 121.524 120.400 0.109 0.000 2.256 329 D HA 0.567 5.207 4.640 -0.000 0.000 0.250 329 D C -0.423 175.914 176.300 0.062 0.000 1.093 329 D CA 0.121 54.185 54.000 0.107 0.000 0.882 329 D CB 2.026 42.888 40.800 0.104 0.000 1.185 329 D HN 0.536 nan 8.370 nan 0.000 0.437 330 V N 1.059 121.036 119.914 0.105 0.000 2.604 330 V HA 0.671 4.791 4.120 -0.000 0.000 0.305 330 V C 0.517 176.643 176.094 0.054 0.000 1.043 330 V CA -0.746 61.556 62.300 0.003 0.000 0.888 330 V CB 2.115 33.919 31.823 -0.032 0.000 0.995 330 V HN 0.633 nan 8.190 nan 0.000 0.429 331 G N 2.836 111.567 108.800 -0.115 0.000 2.478 331 G HA2 0.628 4.588 3.960 -0.000 0.000 0.317 331 G HA3 0.628 4.588 3.960 -0.000 0.000 0.317 331 G C -1.173 173.731 174.900 0.007 0.000 1.259 331 G CA -0.407 44.706 45.100 0.022 0.000 0.933 331 G HN 0.422 nan 8.290 nan 0.000 0.478 332 F N 2.231 122.344 119.950 0.272 0.000 2.404 332 F HA 0.507 5.034 4.527 -0.000 0.000 0.359 332 F C 1.007 177.034 175.800 0.378 0.000 1.134 332 F CA -0.231 57.977 58.000 0.347 0.000 1.160 332 F CB 0.945 40.168 39.000 0.373 0.000 1.186 332 F HN 0.478 nan 8.300 nan 0.000 0.526 333 R N 1.220 121.987 120.500 0.445 0.000 2.710 333 R HA 0.552 4.891 4.340 -0.000 0.000 0.270 333 R C -1.604 174.819 176.300 0.205 0.000 1.021 333 R CA -1.141 55.079 56.100 0.201 0.000 0.889 333 R CB 1.797 32.234 30.300 0.229 0.000 1.243 333 R HN 0.432 nan 8.270 nan 0.000 0.464 334 E N 1.726 121.944 120.200 0.029 0.000 2.199 334 E HA 0.420 4.770 4.350 -0.000 0.000 0.265 334 E C -1.342 175.306 176.600 0.079 0.000 0.882 334 E CA -0.938 55.545 56.400 0.139 0.000 0.759 334 E CB 2.149 31.968 29.700 0.199 0.000 1.148 334 E HN 0.415 nan 8.360 nan 0.000 0.412 335 V N 5.589 125.551 119.914 0.081 0.000 2.384 335 V HA 0.578 4.698 4.120 -0.000 0.000 0.287 335 V C -0.146 175.978 176.094 0.049 0.000 1.020 335 V CA -0.545 61.779 62.300 0.040 0.000 0.850 335 V CB 1.220 33.049 31.823 0.010 0.000 0.987 335 V HN 0.726 nan 8.190 nan 0.000 0.436 336 R N 4.340 124.866 120.500 0.044 0.000 2.710 336 R HA 0.708 5.048 4.340 -0.000 0.000 0.270 336 R C -2.012 174.308 176.300 0.033 0.000 1.021 336 R CA -0.939 55.190 56.100 0.047 0.000 0.889 336 R CB 1.857 32.198 30.300 0.067 0.000 1.243 336 R HN 0.501 nan 8.270 nan 0.000 0.464 337 I N 1.498 122.088 120.570 0.033 0.000 2.339 337 I HA 0.325 4.494 4.170 -0.000 0.000 0.290 337 I C -0.643 175.492 176.117 0.029 0.000 0.994 337 I CA -0.381 60.934 61.300 0.025 0.000 1.191 337 I CB 1.736 39.752 38.000 0.027 0.000 1.343 337 I HN 0.717 nan 8.210 nan 0.000 0.458 338 E N 6.510 126.724 120.200 0.024 0.000 2.278 338 E HA 0.243 4.593 4.350 -0.000 0.000 0.272 338 E C -0.312 176.298 176.600 0.018 0.000 0.890 338 E CA -0.565 55.850 56.400 0.026 0.000 0.770 338 E CB 1.036 30.756 29.700 0.033 0.000 1.212 338 E HN 0.537 nan 8.360 nan 0.000 0.415 339 N N 3.365 122.076 118.700 0.017 0.000 2.735 339 N HA -0.218 4.522 4.740 -0.000 0.000 0.248 339 N C 0.480 175.995 175.510 0.007 0.000 1.083 339 N CA 2.136 55.194 53.050 0.012 0.000 0.703 339 N CB -1.241 37.253 38.487 0.011 0.000 1.005 339 N HN 1.059 nan 8.380 nan 0.000 0.550 340 G N -2.245 106.559 108.800 0.007 0.000 2.176 340 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.253 340 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.253 340 G C -0.071 174.824 174.900 -0.009 0.000 0.979 340 G CA 0.521 45.621 45.100 0.000 0.000 0.641 340 G HN 0.479 nan 8.290 nan 0.000 0.530 341 L N -0.054 121.165 121.223 -0.007 0.000 2.354 341 L HA 0.750 5.089 4.340 -0.000 0.000 0.269 341 L C -0.037 176.822 176.870 -0.018 0.000 1.005 341 L CA -1.331 53.498 54.840 -0.019 0.000 0.819 341 L CB 1.949 43.997 42.059 -0.019 0.000 1.311 341 L HN 0.104 nan 8.230 nan 0.000 0.423 342 L N 3.685 124.886 121.223 -0.036 0.000 2.265 342 L HA 0.505 4.845 4.340 -0.000 0.000 0.288 342 L C -0.948 175.899 176.870 -0.039 0.000 1.058 342 L CA 0.336 55.155 54.840 -0.036 0.000 0.809 342 L CB 0.475 42.500 42.059 -0.057 0.000 1.179 342 L HN 0.389 nan 8.230 nan 0.000 0.429 343 L N 5.666 126.880 121.223 -0.015 0.000 2.342 343 L HA 0.587 4.927 4.340 -0.000 0.000 0.271 343 L C -0.907 175.964 176.870 0.002 0.000 1.008 343 L CA -0.859 53.980 54.840 -0.002 0.000 0.818 343 L CB 2.018 44.097 42.059 0.034 0.000 1.296 343 L HN 0.560 nan 8.230 nan 0.000 0.427 344 L N 2.981 124.216 121.223 0.019 0.000 2.376 344 L HA 0.495 4.835 4.340 -0.000 0.000 0.275 344 L C -0.275 176.619 176.870 0.041 0.000 0.987 344 L CA -0.091 54.767 54.840 0.030 0.000 0.828 344 L CB 1.032 43.113 42.059 0.037 0.000 1.249 344 L HN 0.614 nan 8.230 nan 0.000 0.409 345 N N 4.084 122.700 118.700 -0.140 0.000 2.721 345 N HA -0.221 4.519 4.740 -0.000 0.000 0.249 345 N C 0.879 176.162 175.510 -0.379 0.000 1.072 345 N CA 1.390 54.105 53.050 -0.558 0.000 0.710 345 N CB -1.222 36.815 38.487 -0.750 0.000 0.993 345 N HN 1.185 nan 8.380 nan 0.000 0.547 346 G N -1.953 106.845 108.800 -0.004 0.000 2.217 346 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.246 346 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.246 346 G C -0.091 174.857 174.900 0.080 0.000 0.990 346 G CA 0.783 45.962 45.100 0.132 0.000 0.627 346 G HN 0.465 nan 8.290 nan 0.000 0.522 347 K N 1.003 121.440 120.400 0.061 0.000 2.203 347 K HA 0.549 4.869 4.320 -0.000 0.000 0.251 347 K C -3.032 173.553 176.600 -0.024 0.000 0.944 347 K CA -2.090 54.192 56.287 -0.009 0.000 0.829 347 K CB 2.681 35.107 32.500 -0.124 0.000 1.125 347 K HN 0.032 nan 8.250 nan 0.000 0.430 348 P HA 0.224 nan 4.420 nan 0.000 0.282 348 P C -0.179 177.068 177.300 -0.089 0.000 1.262 348 P CA -0.212 62.851 63.100 -0.062 0.000 0.773 348 P CB 0.517 32.181 31.700 -0.060 0.000 0.879 349 L N 3.196 124.359 121.223 -0.100 0.000 2.468 349 L HA 0.388 4.728 4.340 -0.000 0.000 0.254 349 L C 0.510 177.305 176.870 -0.125 0.000 1.171 349 L CA -0.679 54.091 54.840 -0.117 0.000 0.809 349 L CB 0.328 42.279 42.059 -0.179 0.000 1.155 349 L HN 0.235 nan 8.230 nan 0.000 0.473 350 L N 2.489 123.651 121.223 -0.101 0.000 2.471 350 L HA 0.424 4.764 4.340 -0.000 0.000 0.263 350 L C -0.692 176.128 176.870 -0.082 0.000 0.985 350 L CA -0.134 54.633 54.840 -0.121 0.000 0.868 350 L CB 0.994 43.011 42.059 -0.069 0.000 1.203 350 L HN 0.229 nan 8.230 nan 0.000 0.429 351 I N 4.681 125.137 120.570 -0.189 0.000 2.379 351 I HA 0.235 4.405 4.170 -0.000 0.000 0.290 351 I C 0.434 176.496 176.117 -0.093 0.000 1.063 351 I CA -0.027 61.170 61.300 -0.171 0.000 1.351 351 I CB 0.638 38.419 38.000 -0.367 0.000 1.410 351 I HN 0.579 nan 8.210 nan 0.000 0.505 352 R N 4.745 125.266 120.500 0.035 0.000 3.070 352 R HA 0.451 4.791 4.340 -0.000 0.000 0.252 352 R C 0.502 176.887 176.300 0.141 0.000 1.370 352 R CA -0.239 55.911 56.100 0.085 0.000 1.482 352 R CB 0.852 31.049 30.300 -0.171 0.000 1.220 352 R HN 0.782 nan 8.270 nan 0.000 0.622 353 G N 0.059 108.900 108.800 0.069 0.000 2.537 353 G HA2 0.608 4.568 3.960 -0.000 0.000 0.323 353 G HA3 0.608 4.568 3.960 -0.000 0.000 0.323 353 G C -1.341 173.847 174.900 0.480 0.000 1.207 353 G CA -0.499 44.663 45.100 0.104 0.000 0.976 353 G HN 0.241 nan 8.290 nan 0.000 0.487 354 V N 0.031 120.224 119.914 0.465 0.000 2.971 354 V HA 0.481 4.601 4.120 -0.000 0.000 0.309 354 V C -1.143 175.090 176.094 0.232 0.000 1.130 354 V CA -1.204 61.259 62.300 0.271 0.000 0.964 354 V CB 2.210 33.917 31.823 -0.194 0.000 1.029 354 V HN 0.761 nan 8.190 nan 0.000 0.427 355 N N 4.376 123.143 118.700 0.112 0.000 2.499 355 N HA 0.474 5.214 4.740 -0.000 0.000 0.281 355 N C -0.794 174.530 175.510 -0.310 0.000 1.098 355 N CA -0.361 52.632 53.050 -0.096 0.000 0.979 355 N CB 1.659 40.100 38.487 -0.077 0.000 1.121 355 N HN 0.633 nan 8.380 nan 0.000 0.466 356 R N 2.025 122.311 120.500 -0.357 0.000 2.514 356 R HA 0.236 4.576 4.340 -0.000 0.000 0.296 356 R C -0.989 175.083 176.300 -0.380 0.000 1.012 356 R CA -0.550 55.351 56.100 -0.333 0.000 0.897 356 R CB 0.962 31.068 30.300 -0.324 0.000 1.184 356 R HN 0.588 nan 8.270 nan 0.000 0.440 357 H N 2.049 120.971 119.070 -0.246 0.000 2.508 357 H HA 0.142 4.698 4.556 -0.000 0.000 0.358 357 H C -0.507 174.810 175.328 -0.019 0.000 1.212 357 H CA -0.086 55.901 56.048 -0.101 0.000 1.356 357 H CB 1.518 31.274 29.762 -0.011 0.000 1.525 357 H HN 0.558 nan 8.280 nan 0.000 0.578 358 E N 1.594 121.981 120.200 0.312 0.000 1.941 358 E HA 0.104 4.454 4.350 -0.000 0.000 0.275 358 E C -0.776 175.962 176.600 0.229 0.000 1.113 358 E CA 0.010 56.512 56.400 0.170 0.000 0.878 358 E CB 0.163 29.967 29.700 0.173 0.000 1.070 358 E HN 0.382 nan 8.360 nan 0.000 0.399 359 H N 1.517 120.631 119.070 0.072 0.000 2.865 359 H HA 0.255 4.811 4.556 -0.000 0.000 0.362 359 H C -1.624 173.736 175.328 0.053 0.000 1.114 359 H CA -0.683 55.403 56.048 0.063 0.000 1.208 359 H CB 1.087 30.875 29.762 0.043 0.000 1.727 359 H HN 0.366 nan 8.280 nan 0.000 0.534 360 H N 6.273 124.992 119.070 -0.585 0.000 2.744 360 H HA 0.195 4.751 4.556 -0.000 0.000 0.339 360 H C -2.194 172.729 175.328 -0.675 0.000 1.004 360 H CA -2.395 53.386 56.048 -0.446 0.000 1.257 360 H CB 2.502 32.135 29.762 -0.214 0.000 1.552 360 H HN 0.561 nan 8.280 nan 0.000 0.522 361 P HA -0.134 nan 4.420 nan 0.000 0.217 361 P C 1.374 178.562 177.300 -0.187 0.000 1.148 361 P CA 0.923 63.860 63.100 -0.272 0.000 0.828 361 P CB 0.827 32.408 31.700 -0.198 0.000 0.783 362 L N -1.871 119.336 121.223 -0.027 0.000 2.269 362 L HA 0.047 4.387 4.340 -0.000 0.000 0.200 362 L C 2.386 179.111 176.870 -0.242 0.000 1.069 362 L CA 0.903 55.645 54.840 -0.163 0.000 0.804 362 L CB -0.693 41.161 42.059 -0.341 0.000 0.987 362 L HN 0.010 nan 8.230 nan 0.000 0.468 363 H N -0.697 118.314 119.070 -0.098 0.000 2.539 363 H HA 0.208 4.764 4.556 -0.000 0.000 0.267 363 H C 1.390 176.597 175.328 -0.201 0.000 0.982 363 H CA 0.135 56.042 56.048 -0.234 0.000 1.146 363 H CB 0.316 29.839 29.762 -0.399 0.000 1.382 363 H HN 0.447 nan 8.280 nan 0.000 0.577 364 G N 1.488 110.194 108.800 -0.157 0.000 2.543 364 G HA2 -0.392 3.568 3.960 -0.000 0.000 0.286 364 G HA3 -0.392 3.568 3.960 -0.000 0.000 0.286 364 G C 0.601 175.404 174.900 -0.162 0.000 1.153 364 G CA 0.307 45.260 45.100 -0.244 0.000 0.968 364 G HN 0.463 nan 8.290 nan 0.000 0.544 365 Q N 0.050 119.777 119.800 -0.122 0.000 2.280 365 Q HA 0.451 4.791 4.340 -0.000 0.000 0.202 365 Q C 0.456 176.505 176.000 0.082 0.000 0.903 365 Q CA -0.058 55.709 55.803 -0.061 0.000 0.948 365 Q CB 0.866 29.459 28.738 -0.241 0.000 1.058 365 Q HN 0.383 nan 8.270 nan 0.000 0.493 366 V N 1.852 121.811 119.914 0.076 0.000 2.498 366 V HA 0.188 4.308 4.120 -0.000 0.000 0.279 366 V C 0.162 176.299 176.094 0.072 0.000 1.048 366 V CA -0.024 62.340 62.300 0.107 0.000 0.967 366 V CB 1.021 32.851 31.823 0.011 0.000 0.988 366 V HN 0.315 nan 8.190 nan 0.000 0.473 367 M N 4.360 123.994 119.600 0.057 0.000 2.598 367 M HA 0.569 5.049 4.480 -0.000 0.000 0.317 367 M C -0.600 175.634 176.300 -0.110 0.000 1.201 367 M CA -0.744 54.545 55.300 -0.019 0.000 0.971 367 M CB 1.685 34.237 32.600 -0.080 0.000 1.657 367 M HN 0.967 nan 8.290 nan 0.000 0.470 368 D N -1.894 118.457 120.400 -0.082 0.000 2.602 368 D HA 0.223 4.863 4.640 -0.000 0.000 0.236 368 D C 0.286 176.573 176.300 -0.021 0.000 1.209 368 D CA -0.649 53.309 54.000 -0.071 0.000 0.831 368 D CB 1.232 42.023 40.800 -0.016 0.000 1.478 368 D HN 0.687 nan 8.370 nan 0.000 0.438 369 E N -0.010 120.192 120.200 0.003 0.000 2.086 369 E HA -0.369 3.981 4.350 -0.000 0.000 0.200 369 E C 1.546 178.200 176.600 0.091 0.000 1.012 369 E CA 1.570 58.007 56.400 0.061 0.000 0.812 369 E CB 0.082 29.831 29.700 0.082 0.000 0.743 369 E HN 0.567 nan 8.360 nan 0.000 0.453 370 Q N -0.352 119.500 119.800 0.087 0.000 2.061 370 Q HA -0.168 4.172 4.340 -0.000 0.000 0.204 370 Q C 2.221 178.289 176.000 0.113 0.000 0.984 370 Q CA 2.293 58.155 55.803 0.099 0.000 0.846 370 Q CB -0.181 28.615 28.738 0.097 0.000 0.902 370 Q HN 0.370 nan 8.270 nan 0.000 0.421 371 T N 1.138 115.771 114.554 0.131 0.000 2.622 371 T HA -0.182 4.168 4.350 -0.000 0.000 0.266 371 T C 1.956 176.745 174.700 0.147 0.000 1.047 371 T CA 1.687 63.876 62.100 0.148 0.000 1.159 371 T CB -0.259 68.721 68.868 0.186 0.000 0.863 371 T HN 0.293 nan 8.240 nan 0.000 0.422 372 M N 0.626 120.319 119.600 0.155 0.000 2.089 372 M HA -0.154 4.326 4.480 -0.000 0.000 0.257 372 M C 2.438 178.868 176.300 0.218 0.000 1.071 372 M CA 1.541 57.005 55.300 0.274 0.000 1.096 372 M CB -0.758 32.030 32.600 0.313 0.000 1.330 372 M HN 0.115 nan 8.290 nan 0.000 0.403 373 V N -0.251 119.733 119.914 0.116 0.000 2.515 373 V HA -0.264 3.856 4.120 -0.000 0.000 0.250 373 V C 2.261 178.346 176.094 -0.016 0.000 1.058 373 V CA 1.788 64.087 62.300 -0.001 0.000 1.064 373 V CB -0.814 31.031 31.823 0.037 0.000 0.675 373 V HN 0.541 nan 8.190 nan 0.000 0.461 374 Q N -0.221 119.620 119.800 0.068 0.000 2.050 374 Q HA -0.254 4.085 4.340 -0.000 0.000 0.202 374 Q C 2.030 178.110 176.000 0.133 0.000 0.980 374 Q CA 2.009 57.868 55.803 0.093 0.000 0.840 374 Q CB -0.087 28.722 28.738 0.119 0.000 0.898 374 Q HN 0.608 nan 8.270 nan 0.000 0.424 375 D N 0.374 120.877 120.400 0.172 0.000 2.092 375 D HA -0.177 4.463 4.640 -0.000 0.000 0.193 375 D C 1.866 178.144 176.300 -0.037 0.000 0.994 375 D CA 1.178 55.293 54.000 0.191 0.000 0.828 375 D CB -0.273 40.630 40.800 0.173 0.000 0.963 375 D HN 0.324 nan 8.370 nan 0.000 0.450 376 I N 0.663 121.187 120.570 -0.076 0.000 2.208 376 I HA -0.254 3.916 4.170 -0.000 0.000 0.245 376 I C 2.386 178.378 176.117 -0.208 0.000 1.097 376 I CA 0.682 61.836 61.300 -0.244 0.000 1.363 376 I CB -0.143 37.601 38.000 -0.426 0.000 1.051 376 I HN 0.050 nan 8.210 nan 0.000 0.413 377 L N -0.008 121.136 121.223 -0.131 0.000 2.027 377 L HA -0.216 4.124 4.340 -0.000 0.000 0.206 377 L C 2.593 179.536 176.870 0.121 0.000 1.074 377 L CA 1.512 56.356 54.840 0.006 0.000 0.745 377 L CB -0.739 41.341 42.059 0.035 0.000 0.898 377 L HN 0.317 nan 8.230 nan 0.000 0.433 378 L N -0.756 120.566 121.223 0.164 0.000 2.012 378 L HA -0.269 4.071 4.340 -0.000 0.000 0.210 378 L C 2.787 179.839 176.870 0.303 0.000 1.073 378 L CA 1.452 56.474 54.840 0.303 0.000 0.748 378 L CB -0.313 42.054 42.059 0.512 0.000 0.891 378 L HN 0.309 nan 8.230 nan 0.000 0.431 379 M N -0.640 118.980 119.600 0.033 0.000 2.065 379 M HA -0.260 4.220 4.480 -0.000 0.000 0.259 379 M C 2.338 178.712 176.300 0.123 0.000 1.071 379 M CA 1.870 57.109 55.300 -0.101 0.000 1.109 379 M CB -0.426 31.894 32.600 -0.468 0.000 1.313 379 M HN 0.104 nan 8.290 nan 0.000 0.408 380 K N 0.107 120.484 120.400 -0.038 0.000 2.103 380 K HA -0.205 4.115 4.320 -0.000 0.000 0.207 380 K C 1.891 178.481 176.600 -0.017 0.000 1.048 380 K CA 1.465 57.631 56.287 -0.202 0.000 0.930 380 K CB -0.288 31.902 32.500 -0.516 0.000 0.716 380 K HN 0.516 nan 8.250 nan 0.000 0.444 381 Q N 0.172 120.129 119.800 0.262 0.000 2.369 381 Q HA -0.018 4.322 4.340 -0.000 0.000 0.206 381 Q C 0.863 177.156 176.000 0.489 0.000 0.963 381 Q CA 0.574 56.651 55.803 0.456 0.000 0.894 381 Q CB 0.167 29.154 28.738 0.414 0.000 0.965 381 Q HN 0.246 nan 8.270 nan 0.000 0.475 382 N N 0.670 119.615 118.700 0.409 0.000 2.279 382 N HA 0.051 4.791 4.740 -0.000 0.000 0.226 382 N C -0.597 175.030 175.510 0.195 0.000 1.126 382 N CA 0.062 53.346 53.050 0.390 0.000 0.846 382 N CB 0.656 39.450 38.487 0.512 0.000 1.050 382 N HN 0.162 nan 8.380 nan 0.000 0.502 383 N N 0.004 118.810 118.700 0.177 0.000 2.829 383 N HA -0.181 4.559 4.740 -0.000 0.000 0.250 383 N C -0.847 174.561 175.510 -0.170 0.000 1.090 383 N CA 0.716 53.782 53.050 0.026 0.000 0.781 383 N CB -1.734 36.666 38.487 -0.144 0.000 1.124 383 N HN 0.229 nan 8.380 nan 0.000 0.559 384 F N 1.184 121.133 119.950 -0.002 0.000 2.375 384 F HA 0.323 4.850 4.527 -0.000 0.000 0.333 384 F C 1.789 177.573 175.800 -0.028 0.000 1.104 384 F CA -0.503 57.482 58.000 -0.025 0.000 1.149 384 F CB 0.811 39.776 39.000 -0.058 0.000 1.190 384 F HN 0.045 nan 8.300 nan 0.000 0.533 385 N N 0.617 119.431 118.700 0.191 0.000 2.160 385 N HA 0.436 5.176 4.740 -0.000 0.000 0.226 385 N C -0.859 174.715 175.510 0.107 0.000 1.256 385 N CA 0.017 53.121 53.050 0.091 0.000 0.890 385 N CB 0.727 39.317 38.487 0.172 0.000 1.116 385 N HN 0.483 nan 8.380 nan 0.000 0.517 386 A N -0.541 122.400 122.820 0.202 0.000 2.606 386 A HA 0.766 5.085 4.320 -0.000 0.000 0.293 386 A C -1.747 176.044 177.584 0.346 0.000 1.082 386 A CA -0.635 51.578 52.037 0.294 0.000 0.685 386 A CB 1.733 20.948 19.000 0.358 0.000 1.284 386 A HN 0.287 nan 8.150 nan 0.000 0.408 387 V N 0.785 120.948 119.914 0.415 0.000 2.971 387 V HA 0.834 4.954 4.120 -0.000 0.000 0.309 387 V C -0.882 175.355 176.094 0.238 0.000 1.130 387 V CA -0.723 61.782 62.300 0.342 0.000 0.964 387 V CB 2.003 33.934 31.823 0.181 0.000 1.029 387 V HN 1.167 nan 8.190 nan 0.000 0.427 388 R N 4.472 124.970 120.500 -0.003 0.000 2.387 388 R HA 0.493 4.833 4.340 -0.000 0.000 0.314 388 R C -0.803 175.368 176.300 -0.214 0.000 0.958 388 R CA -0.496 55.439 56.100 -0.275 0.000 0.846 388 R CB 1.276 31.155 30.300 -0.701 0.000 1.147 388 R HN 0.833 nan 8.270 nan 0.000 0.447 389 C N 4.222 123.422 119.300 -0.167 0.000 3.329 389 C HA 0.098 4.558 4.460 -0.000 0.000 0.537 389 C C 0.540 175.257 174.990 -0.455 0.000 1.034 389 C CA -0.422 58.443 59.018 -0.255 0.000 1.086 389 C CB -2.195 25.504 27.740 -0.068 0.000 1.392 389 C HN 0.687 nan 8.230 nan 0.000 0.612 390 S N 1.375 116.700 115.700 -0.626 0.000 2.481 390 S HA 0.155 4.625 4.470 -0.000 0.000 0.282 390 S C -0.113 173.624 174.600 -1.438 0.000 1.243 390 S CA 0.168 57.745 58.200 -1.039 0.000 1.078 390 S CB 0.077 62.607 63.200 -1.117 0.000 0.916 390 S HN 0.727 nan 8.310 nan 0.000 0.495 391 H N 3.536 121.990 119.070 -1.026 0.000 2.597 391 H HA 0.317 4.873 4.556 -0.000 0.000 0.225 391 H C -1.150 174.008 175.328 -0.284 0.000 1.422 391 H CA -0.379 55.427 56.048 -0.404 0.000 1.335 391 H CB -0.135 29.599 29.762 -0.048 0.000 1.783 391 H HN 0.889 nan 8.280 nan 0.000 0.513 392 Y N -2.750 117.647 120.300 0.163 0.000 2.765 392 Y HA 0.391 4.940 4.550 -0.000 0.000 0.350 392 Y C -3.303 172.699 175.900 0.170 0.000 1.196 392 Y CA -2.975 55.229 58.100 0.174 0.000 1.119 392 Y CB -0.024 38.542 38.460 0.176 0.000 1.368 392 Y HN -0.081 nan 8.280 nan 0.000 0.463 393 P HA 0.175 nan 4.420 nan 0.000 0.269 393 P C -0.668 176.923 177.300 0.484 0.000 1.209 393 P CA 0.133 63.486 63.100 0.422 0.000 0.776 393 P CB 0.628 32.511 31.700 0.305 0.000 0.876 394 N N 0.165 119.156 118.700 0.485 0.000 2.491 394 N HA 0.115 4.855 4.740 -0.000 0.000 0.279 394 N C -0.042 175.695 175.510 0.378 0.000 1.236 394 N CA -0.636 52.608 53.050 0.323 0.000 0.982 394 N CB 0.409 38.863 38.487 -0.055 0.000 1.194 394 N HN 0.592 nan 8.380 nan 0.000 0.582 395 H N 1.792 120.965 119.070 0.170 0.000 3.034 395 H HA 0.014 4.570 4.556 -0.000 0.000 0.324 395 H C -1.733 173.778 175.328 0.304 0.000 1.015 395 H CA -0.794 55.360 56.048 0.178 0.000 1.429 395 H CB 1.043 30.869 29.762 0.107 0.000 1.429 395 H HN 0.396 nan 8.280 nan 0.000 0.585 396 P HA -0.226 nan 4.420 nan 0.000 0.217 396 P C 1.770 179.365 177.300 0.492 0.000 1.151 396 P CA 0.879 64.187 63.100 0.348 0.000 0.849 396 P CB 0.155 31.892 31.700 0.061 0.000 0.787 397 L N -1.502 120.083 121.223 0.605 0.000 2.201 397 L HA -0.038 4.302 4.340 -0.000 0.000 0.212 397 L C 2.258 179.341 176.870 0.355 0.000 1.105 397 L CA 1.347 56.465 54.840 0.463 0.000 0.775 397 L CB -1.283 41.058 42.059 0.469 0.000 0.913 397 L HN 0.052 nan 8.230 nan 0.000 0.440 398 W N -0.284 121.086 121.300 0.116 0.000 2.318 398 W HA -0.360 4.300 4.660 -0.000 0.000 0.313 398 W C 2.104 178.503 176.519 -0.199 0.000 1.221 398 W CA 2.081 59.348 57.345 -0.130 0.000 1.266 398 W CB -0.425 28.824 29.460 -0.352 0.000 1.150 398 W HN 0.279 nan 8.180 nan 0.000 0.496 399 Y N 0.582 120.833 120.300 -0.083 0.000 2.224 399 Y HA -0.230 4.320 4.550 -0.000 0.000 0.289 399 Y C 2.853 178.523 175.900 -0.384 0.000 1.146 399 Y CA 2.106 59.933 58.100 -0.455 0.000 1.182 399 Y CB -1.333 36.580 38.460 -0.911 0.000 0.983 399 Y HN -0.198 nan 8.280 nan 0.000 0.524 400 T N 0.491 115.062 114.554 0.028 0.000 2.777 400 T HA -0.108 4.242 4.350 -0.000 0.000 0.266 400 T C 2.011 176.747 174.700 0.060 0.000 1.040 400 T CA 1.112 63.295 62.100 0.139 0.000 1.141 400 T CB -0.471 68.537 68.868 0.233 0.000 0.868 400 T HN 0.223 nan 8.240 nan 0.000 0.444 401 L N 0.446 121.673 121.223 0.006 0.000 2.046 401 L HA -0.135 4.205 4.340 -0.000 0.000 0.208 401 L C 2.865 179.726 176.870 -0.014 0.000 1.077 401 L CA 1.062 55.929 54.840 0.046 0.000 0.747 401 L CB -0.755 41.284 42.059 -0.033 0.000 0.896 401 L HN 0.383 nan 8.230 nan 0.000 0.432 402 C N -0.228 118.891 119.300 -0.301 0.000 2.425 402 C HA -0.144 4.316 4.460 -0.000 0.000 0.277 402 C C 2.397 177.423 174.990 0.059 0.000 1.280 402 C CA 0.382 59.261 59.018 -0.232 0.000 1.744 402 C CB -0.844 26.649 27.740 -0.412 0.000 1.989 402 C HN 0.543 nan 8.230 nan 0.000 0.491 403 D N 0.445 120.881 120.400 0.060 0.000 2.144 403 D HA -0.101 4.539 4.640 -0.000 0.000 0.199 403 D C 2.379 178.865 176.300 0.310 0.000 0.984 403 D CA 1.184 55.290 54.000 0.176 0.000 0.834 403 D CB -0.334 40.524 40.800 0.097 0.000 0.955 403 D HN 0.536 nan 8.370 nan 0.000 0.465 404 R N -0.965 119.613 120.500 0.130 0.000 2.080 404 R HA 0.012 4.351 4.340 -0.000 0.000 0.222 404 R C 2.174 178.398 176.300 -0.126 0.000 1.107 404 R CA 0.554 56.651 56.100 -0.005 0.000 0.980 404 R CB -0.174 30.037 30.300 -0.148 0.000 0.879 404 R HN 0.266 nan 8.270 nan 0.000 0.439 405 Y N -0.154 120.158 120.300 0.021 0.000 2.395 405 Y HA 0.127 4.676 4.550 -0.000 0.000 0.293 405 Y C 1.027 176.859 175.900 -0.114 0.000 1.123 405 Y CA 0.868 58.952 58.100 -0.028 0.000 1.227 405 Y CB 0.597 39.010 38.460 -0.078 0.000 1.012 405 Y HN 0.257 nan 8.280 nan 0.000 0.552 406 G N 1.137 109.959 108.800 0.037 0.000 2.980 406 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.255 406 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.255 406 G C -1.098 173.631 174.900 -0.284 0.000 1.020 406 G CA -0.551 44.424 45.100 -0.208 0.000 1.230 406 G HN 0.158 nan 8.290 nan 0.000 0.580 407 L N 0.750 121.879 121.223 -0.157 0.000 2.431 407 L HA 0.528 4.868 4.340 -0.000 0.000 0.266 407 L C 0.021 176.852 176.870 -0.066 0.000 0.978 407 L CA -1.334 53.376 54.840 -0.216 0.000 0.822 407 L CB 2.001 43.960 42.059 -0.166 0.000 1.310 407 L HN 0.413 nan 8.230 nan 0.000 0.409 408 Y N 1.792 122.198 120.300 0.177 0.000 2.319 408 Y HA 0.421 4.971 4.550 -0.000 0.000 0.328 408 Y C 0.206 176.217 175.900 0.185 0.000 1.133 408 Y CA -0.646 57.590 58.100 0.227 0.000 1.265 408 Y CB 1.376 39.955 38.460 0.198 0.000 1.218 408 Y HN 0.151 nan 8.280 nan 0.000 0.508 409 V N 3.751 123.845 119.914 0.300 0.000 2.735 409 V HA 0.384 4.504 4.120 -0.000 0.000 0.310 409 V C -0.703 175.476 176.094 0.142 0.000 1.061 409 V CA -1.039 61.386 62.300 0.208 0.000 0.913 409 V CB 2.068 33.982 31.823 0.151 0.000 1.005 409 V HN 0.450 nan 8.190 nan 0.000 0.428 410 V N 2.590 122.563 119.914 0.099 0.000 2.347 410 V HA 0.370 4.490 4.120 -0.000 0.000 0.280 410 V C -0.449 175.687 176.094 0.071 0.000 1.021 410 V CA -0.399 61.914 62.300 0.023 0.000 0.847 410 V CB 1.555 33.310 31.823 -0.112 0.000 0.990 410 V HN 0.889 nan 8.190 nan 0.000 0.444 411 D N 3.989 124.460 120.400 0.119 0.000 2.249 411 D HA 0.333 4.972 4.640 -0.000 0.000 0.246 411 D C -0.274 176.204 176.300 0.296 0.000 1.114 411 D CA -0.049 54.112 54.000 0.268 0.000 0.854 411 D CB 1.333 42.337 40.800 0.339 0.000 1.132 411 D HN 0.694 nan 8.370 nan 0.000 0.461 412 E N 1.845 122.190 120.200 0.242 0.000 2.210 412 E HA 0.609 4.959 4.350 -0.000 0.000 0.266 412 E C -1.017 175.714 176.600 0.219 0.000 0.883 412 E CA -1.061 55.466 56.400 0.212 0.000 0.761 412 E CB 1.356 31.132 29.700 0.127 0.000 1.156 412 E HN 0.473 nan 8.360 nan 0.000 0.412 413 A N 3.807 126.751 122.820 0.206 0.000 2.483 413 A HA 0.020 4.340 4.320 -0.000 0.000 0.238 413 A C 0.394 178.097 177.584 0.199 0.000 1.070 413 A CA -0.151 51.989 52.037 0.172 0.000 0.770 413 A CB 0.113 19.182 19.000 0.114 0.000 1.008 413 A HN 0.700 nan 8.150 nan 0.000 0.497 414 N N 1.316 120.141 118.700 0.209 0.000 3.103 414 N HA 0.226 4.965 4.740 -0.000 0.000 0.305 414 N C -0.949 174.683 175.510 0.204 0.000 1.232 414 N CA 0.228 53.432 53.050 0.258 0.000 1.190 414 N CB -0.868 37.778 38.487 0.265 0.000 1.461 414 N HN 0.476 nan 8.380 nan 0.000 0.538 415 I N 0.662 121.344 120.570 0.186 0.000 2.500 415 I HA 0.280 4.449 4.170 -0.000 0.000 0.286 415 I C -0.598 175.607 176.117 0.148 0.000 1.063 415 I CA -0.679 60.711 61.300 0.151 0.000 1.062 415 I CB 1.928 39.992 38.000 0.106 0.000 1.223 415 I HN 0.212 nan 8.210 nan 0.000 0.435 416 E N 4.271 124.555 120.200 0.140 0.000 2.294 416 E HA 0.299 4.649 4.350 -0.000 0.000 0.272 416 E C -0.488 176.171 176.600 0.098 0.000 0.896 416 E CA -0.435 56.024 56.400 0.097 0.000 0.802 416 E CB 1.595 31.338 29.700 0.072 0.000 1.267 416 E HN 0.654 nan 8.360 nan 0.000 0.406 417 T N 0.757 115.360 114.554 0.083 0.000 3.293 417 T HA 0.142 4.492 4.350 -0.000 0.000 0.276 417 T C 1.018 175.769 174.700 0.085 0.000 1.003 417 T CA -0.219 61.952 62.100 0.118 0.000 0.916 417 T CB -0.293 68.618 68.868 0.071 0.000 1.134 417 T HN 0.671 nan 8.240 nan 0.000 0.530 418 H N 1.258 120.249 119.070 -0.132 0.000 2.325 418 H HA -0.149 4.407 4.556 -0.000 0.000 0.293 418 H C 2.292 177.488 175.328 -0.220 0.000 1.106 418 H CA 1.448 57.380 56.048 -0.194 0.000 1.247 418 H CB -0.283 29.332 29.762 -0.244 0.000 1.359 418 H HN 0.583 nan 8.280 nan 0.000 0.488 419 G N 0.242 108.879 108.800 -0.272 0.000 2.776 419 G HA2 -0.052 3.908 3.960 -0.000 0.000 0.209 419 G HA3 -0.052 3.908 3.960 -0.000 0.000 0.209 419 G C 0.562 175.555 174.900 0.156 0.000 1.145 419 G CA -0.085 44.889 45.100 -0.209 0.000 0.791 419 G HN 0.152 nan 8.290 nan 0.000 0.530 420 M N 0.021 119.753 119.600 0.218 0.000 2.113 420 M HA 0.345 4.825 4.480 -0.000 0.000 0.288 420 M C -0.289 176.040 176.300 0.048 0.000 1.225 420 M CA -0.137 55.248 55.300 0.142 0.000 1.148 420 M CB 1.174 33.810 32.600 0.061 0.000 1.388 420 M HN -0.188 nan 8.290 nan 0.000 0.469 421 V N 2.206 122.127 119.914 0.012 0.000 2.567 421 V HA 0.325 4.445 4.120 -0.000 0.000 0.298 421 V C -2.142 173.939 176.094 -0.022 0.000 1.047 421 V CA -1.322 60.973 62.300 -0.009 0.000 0.880 421 V CB 1.930 33.744 31.823 -0.015 0.000 1.009 421 V HN 0.730 nan 8.190 nan 0.000 0.429 422 P HA 0.275 nan 4.420 nan 0.000 0.274 422 P C 1.099 178.394 177.300 -0.009 0.000 1.256 422 P CA -0.552 62.538 63.100 -0.016 0.000 0.795 422 P CB 0.753 32.445 31.700 -0.013 0.000 1.038 423 M N 0.813 120.413 119.600 0.001 0.000 2.260 423 M HA -0.205 4.275 4.480 -0.000 0.000 0.261 423 M C 0.963 177.273 176.300 0.018 0.000 1.066 423 M CA 1.924 57.234 55.300 0.016 0.000 1.082 423 M CB -0.380 32.223 32.600 0.004 0.000 1.388 423 M HN 0.386 nan 8.290 nan 0.000 0.419 424 N N -0.265 118.442 118.700 0.012 0.000 2.251 424 N HA -0.046 4.694 4.740 -0.000 0.000 0.217 424 N C 1.081 176.553 175.510 -0.063 0.000 1.124 424 N CA 0.055 53.107 53.050 0.003 0.000 0.843 424 N CB -0.639 37.868 38.487 0.034 0.000 1.024 424 N HN 0.353 nan 8.380 nan 0.000 0.501 425 R N 0.536 120.988 120.500 -0.079 0.000 2.103 425 R HA -0.027 4.313 4.340 -0.000 0.000 0.242 425 R C 1.421 177.599 176.300 -0.203 0.000 1.142 425 R CA 1.554 57.583 56.100 -0.119 0.000 0.960 425 R CB -0.082 30.149 30.300 -0.116 0.000 0.858 425 R HN 0.304 nan 8.270 nan 0.000 0.439 426 L N -0.733 120.304 121.223 -0.310 0.000 2.202 426 L HA 0.026 4.366 4.340 -0.000 0.000 0.205 426 L C 2.446 179.133 176.870 -0.305 0.000 1.083 426 L CA 1.185 55.707 54.840 -0.530 0.000 0.790 426 L CB -0.613 40.861 42.059 -0.974 0.000 0.942 426 L HN 0.362 nan 8.230 nan 0.000 0.452 427 T N -3.911 110.504 114.554 -0.232 0.000 2.977 427 T HA -0.194 4.156 4.350 -0.000 0.000 0.271 427 T C 1.220 175.800 174.700 -0.200 0.000 1.105 427 T CA 1.345 63.293 62.100 -0.253 0.000 1.116 427 T CB -0.295 68.378 68.868 -0.325 0.000 0.878 427 T HN 0.111 nan 8.240 nan 0.000 0.509 428 D N 1.209 121.531 120.400 -0.130 0.000 2.342 428 D HA 0.142 4.782 4.640 -0.000 0.000 0.221 428 D C -0.466 175.801 176.300 -0.054 0.000 1.101 428 D CA -0.247 53.695 54.000 -0.096 0.000 0.837 428 D CB -0.025 40.730 40.800 -0.076 0.000 0.938 428 D HN 0.341 nan 8.370 nan 0.000 0.508 429 D N -0.514 119.870 120.400 -0.026 0.000 2.408 429 D HA 0.178 4.818 4.640 -0.000 0.000 0.243 429 D C -1.799 174.555 176.300 0.090 0.000 1.075 429 D CA -2.281 51.748 54.000 0.049 0.000 0.832 429 D CB 2.309 43.175 40.800 0.110 0.000 1.162 429 D HN -0.128 nan 8.370 nan 0.000 0.515 430 P HA -0.120 nan 4.420 nan 0.000 0.217 430 P C 1.082 178.386 177.300 0.007 0.000 1.148 430 P CA 1.014 64.122 63.100 0.013 0.000 0.828 430 P CB 0.339 32.036 31.700 -0.005 0.000 0.783 431 R N -1.925 118.587 120.500 0.019 0.000 2.152 431 R HA -0.107 4.233 4.340 -0.000 0.000 0.232 431 R C 1.657 177.835 176.300 -0.203 0.000 1.117 431 R CA 1.256 57.298 56.100 -0.097 0.000 0.981 431 R CB -0.634 29.584 30.300 -0.136 0.000 0.870 431 R HN 0.317 nan 8.270 nan 0.000 0.451 432 W N -0.607 120.633 121.300 -0.099 0.000 3.278 432 W HA 0.161 4.821 4.660 -0.000 0.000 0.308 432 W C 1.352 177.808 176.519 -0.105 0.000 1.253 432 W CA -0.524 56.761 57.345 -0.100 0.000 1.759 432 W CB 0.038 29.435 29.460 -0.106 0.000 1.093 432 W HN 0.038 nan 8.180 nan 0.000 0.648 433 L N 2.321 123.584 121.223 0.066 0.000 2.012 433 L HA -0.082 4.258 4.340 -0.000 0.000 0.210 433 L C -0.668 176.173 176.870 -0.049 0.000 1.073 433 L CA 2.311 57.146 54.840 -0.008 0.000 0.748 433 L CB -1.687 40.353 42.059 -0.030 0.000 0.891 433 L HN -0.230 nan 8.230 nan 0.000 0.431 434 P HA -0.132 nan 4.420 nan 0.000 0.216 434 P C 1.612 178.860 177.300 -0.086 0.000 1.153 434 P CA 2.109 65.152 63.100 -0.096 0.000 0.848 434 P CB -0.249 31.385 31.700 -0.110 0.000 0.787 435 A N -0.694 122.090 122.820 -0.061 0.000 1.877 435 A HA -0.195 4.125 4.320 -0.000 0.000 0.216 435 A C 2.257 179.852 177.584 0.019 0.000 1.186 435 A CA 1.955 53.986 52.037 -0.009 0.000 0.620 435 A CB -1.492 17.537 19.000 0.048 0.000 0.822 435 A HN 0.088 nan 8.150 nan 0.000 0.443 436 M N -0.221 119.398 119.600 0.032 0.000 2.159 436 M HA -0.144 4.336 4.480 -0.000 0.000 0.263 436 M C 2.579 178.828 176.300 -0.085 0.000 1.063 436 M CA 1.715 57.009 55.300 -0.010 0.000 1.110 436 M CB -0.468 32.105 32.600 -0.046 0.000 1.374 436 M HN 0.658 nan 8.290 nan 0.000 0.411 437 S N 0.696 116.319 115.700 -0.127 0.000 2.365 437 S HA -0.199 4.271 4.470 -0.000 0.000 0.225 437 S C 1.683 176.120 174.600 -0.271 0.000 1.039 437 S CA 1.547 59.609 58.200 -0.229 0.000 1.033 437 S CB -0.360 62.700 63.200 -0.233 0.000 0.887 437 S HN 0.482 nan 8.310 nan 0.000 0.447 438 E N 0.732 120.820 120.200 -0.186 0.000 2.110 438 E HA -0.112 4.238 4.350 -0.000 0.000 0.193 438 E C 2.417 178.933 176.600 -0.141 0.000 0.988 438 E CA 0.915 57.213 56.400 -0.170 0.000 0.804 438 E CB -0.216 29.418 29.700 -0.110 0.000 0.745 438 E HN 0.590 nan 8.360 nan 0.000 0.458 439 R N 0.263 120.708 120.500 -0.091 0.000 2.120 439 R HA -0.086 4.254 4.340 -0.000 0.000 0.234 439 R C 2.339 178.596 176.300 -0.073 0.000 1.123 439 R CA 0.819 56.893 56.100 -0.043 0.000 0.975 439 R CB -0.030 30.280 30.300 0.017 0.000 0.866 439 R HN 0.007 nan 8.270 nan 0.000 0.446 440 V N 0.005 119.831 119.914 -0.147 0.000 2.374 440 V HA -0.169 3.951 4.120 -0.000 0.000 0.241 440 V C 2.411 178.340 176.094 -0.274 0.000 1.034 440 V CA 2.001 64.198 62.300 -0.172 0.000 1.037 440 V CB -0.304 31.414 31.823 -0.176 0.000 0.682 440 V HN 0.513 nan 8.190 nan 0.000 0.463 441 T N -0.380 113.886 114.554 -0.480 0.000 2.684 441 T HA -0.293 4.057 4.350 -0.000 0.000 0.267 441 T C 1.949 176.497 174.700 -0.253 0.000 1.036 441 T CA 1.692 63.435 62.100 -0.595 0.000 1.148 441 T CB -0.472 67.901 68.868 -0.825 0.000 0.863 441 T HN 0.394 nan 8.240 nan 0.000 0.436 442 R N 0.347 120.720 120.500 -0.212 0.000 2.096 442 R HA 0.119 4.459 4.340 -0.000 0.000 0.235 442 R C 2.697 178.920 176.300 -0.127 0.000 1.127 442 R CA 1.552 57.564 56.100 -0.146 0.000 0.968 442 R CB -0.501 29.723 30.300 -0.128 0.000 0.861 442 R HN 0.487 nan 8.270 nan 0.000 0.440 443 M N 0.651 120.183 119.600 -0.114 0.000 2.086 443 M HA -0.160 4.320 4.480 -0.000 0.000 0.261 443 M C 1.949 178.168 176.300 -0.136 0.000 1.067 443 M CA 1.662 56.919 55.300 -0.073 0.000 1.116 443 M CB 0.052 32.643 32.600 -0.015 0.000 1.348 443 M HN -0.015 nan 8.290 nan 0.000 0.407 444 V N 0.854 120.591 119.914 -0.295 0.000 2.343 444 V HA -0.305 3.815 4.120 -0.000 0.000 0.247 444 V C 2.283 178.260 176.094 -0.194 0.000 1.051 444 V CA 2.057 64.067 62.300 -0.483 0.000 1.036 444 V CB -0.922 30.590 31.823 -0.519 0.000 0.654 444 V HN 0.590 nan 8.190 nan 0.000 0.451 445 Q N -0.713 119.010 119.800 -0.128 0.000 2.181 445 Q HA -0.240 4.100 4.340 -0.000 0.000 0.205 445 Q C 2.492 178.406 176.000 -0.143 0.000 0.980 445 Q CA 1.710 57.448 55.803 -0.107 0.000 0.862 445 Q CB -0.172 28.523 28.738 -0.071 0.000 0.905 445 Q HN 0.534 nan 8.270 nan 0.000 0.429 446 R N 0.157 120.565 120.500 -0.153 0.000 2.100 446 R HA -0.085 4.255 4.340 -0.000 0.000 0.220 446 R C 0.561 176.779 176.300 -0.135 0.000 1.091 446 R CA 1.247 57.234 56.100 -0.189 0.000 0.986 446 R CB 0.414 30.607 30.300 -0.179 0.000 0.888 446 R HN 0.138 nan 8.270 nan 0.000 0.444 447 D N -0.142 120.237 120.400 -0.035 0.000 2.369 447 D HA -0.007 4.633 4.640 -0.000 0.000 0.211 447 D C 1.198 177.586 176.300 0.147 0.000 1.077 447 D CA 0.186 54.210 54.000 0.040 0.000 0.842 447 D CB 0.364 41.145 40.800 -0.033 0.000 0.947 447 D HN 0.317 nan 8.370 nan 0.000 0.509 448 R N 0.418 121.011 120.500 0.155 0.000 2.357 448 R HA 0.081 4.420 4.340 -0.000 0.000 0.202 448 R C 0.872 177.149 176.300 -0.039 0.000 1.047 448 R CA 0.849 57.052 56.100 0.171 0.000 1.034 448 R CB -0.280 30.117 30.300 0.161 0.000 0.875 448 R HN -0.111 nan 8.270 nan 0.000 0.473 449 N N 0.077 118.676 118.700 -0.169 0.000 2.280 449 N HA -0.009 4.731 4.740 -0.000 0.000 0.192 449 N C -0.526 174.828 175.510 -0.260 0.000 1.109 449 N CA 0.131 53.038 53.050 -0.239 0.000 0.855 449 N CB 0.145 38.434 38.487 -0.330 0.000 0.974 449 N HN 0.306 nan 8.380 nan 0.000 0.482 450 H N 1.721 120.701 119.070 -0.151 0.000 2.819 450 H HA 0.090 4.646 4.556 -0.000 0.000 0.303 450 H C -1.159 173.999 175.328 -0.283 0.000 1.058 450 H CA -1.120 54.822 56.048 -0.177 0.000 1.471 450 H CB 1.458 31.145 29.762 -0.124 0.000 1.480 450 H HN 0.065 nan 8.280 nan 0.000 0.517 451 P HA -0.152 nan 4.420 nan 0.000 0.218 451 P C 1.352 178.199 177.300 -0.755 0.000 1.149 451 P CA 1.161 63.904 63.100 -0.594 0.000 0.817 451 P CB 0.267 31.393 31.700 -0.958 0.000 0.785 452 S N -1.243 114.090 115.700 -0.613 0.000 2.481 452 S HA 0.001 4.471 4.470 -0.000 0.000 0.231 452 S C 1.022 175.592 174.600 -0.049 0.000 0.996 452 S CA 0.062 58.082 58.200 -0.299 0.000 0.942 452 S CB -1.229 61.948 63.200 -0.038 0.000 0.768 452 S HN -0.081 nan 8.310 nan 0.000 0.520 453 V N 3.510 123.355 119.914 -0.114 0.000 2.427 453 V HA 0.268 4.388 4.120 -0.000 0.000 0.268 453 V C 1.023 176.975 176.094 -0.237 0.000 1.046 453 V CA -0.132 62.070 62.300 -0.163 0.000 0.970 453 V CB 0.547 32.176 31.823 -0.323 0.000 1.001 453 V HN 0.628 nan 8.190 nan 0.000 0.476 454 I N 2.686 123.168 120.570 -0.148 0.000 4.288 454 I HA 0.511 4.681 4.170 -0.000 0.000 0.331 454 I C 0.322 176.320 176.117 -0.197 0.000 1.322 454 I CA 0.394 61.614 61.300 -0.134 0.000 1.149 454 I CB 0.480 38.480 38.000 -0.000 0.000 1.112 454 I HN 0.308 nan 8.210 nan 0.000 0.403 455 I N 0.066 120.499 120.570 -0.228 0.000 2.802 455 I HA 0.380 4.550 4.170 -0.000 0.000 0.298 455 I C -1.559 174.442 176.117 -0.193 0.000 1.176 455 I CA -0.432 60.767 61.300 -0.168 0.000 1.025 455 I CB 2.247 40.244 38.000 -0.005 0.000 1.243 455 I HN 0.014 nan 8.210 nan 0.000 0.424 456 W N 3.393 124.737 121.300 0.073 0.000 2.496 456 W HA 0.637 5.297 4.660 -0.000 0.000 0.327 456 W C 0.282 176.860 176.519 0.099 0.000 1.086 456 W CA -0.679 56.714 57.345 0.081 0.000 1.222 456 W CB 1.797 31.300 29.460 0.070 0.000 1.304 456 W HN 0.306 nan 8.180 nan 0.000 0.547 457 S N 2.637 118.565 115.700 0.380 0.000 2.521 457 S HA 0.412 4.881 4.470 -0.000 0.000 0.295 457 S C 0.142 174.902 174.600 0.267 0.000 1.098 457 S CA -0.698 57.669 58.200 0.279 0.000 0.999 457 S CB 0.852 64.169 63.200 0.195 0.000 1.034 457 S HN 0.581 nan 8.310 nan 0.000 0.483 458 L N 4.033 125.408 121.223 0.254 0.000 2.599 458 L HA 0.377 4.717 4.340 -0.000 0.000 0.230 458 L C 1.357 178.300 176.870 0.122 0.000 1.141 458 L CA 0.464 55.385 54.840 0.135 0.000 0.877 458 L CB -0.990 41.056 42.059 -0.021 0.000 1.009 458 L HN 0.977 nan 8.230 nan 0.000 0.447 459 G N -0.102 108.840 108.800 0.237 0.000 2.270 459 G HA2 -0.089 3.871 3.960 -0.000 0.000 0.268 459 G HA3 -0.089 3.871 3.960 -0.000 0.000 0.268 459 G C -1.783 173.288 174.900 0.286 0.000 1.312 459 G CA -0.649 44.589 45.100 0.230 0.000 1.050 459 G HN 0.140 nan 8.290 nan 0.000 0.474 460 N N -0.111 118.701 118.700 0.188 0.000 2.405 460 N HA 0.472 5.212 4.740 -0.000 0.000 0.274 460 N C -0.430 175.038 175.510 -0.070 0.000 1.170 460 N CA -0.022 53.003 53.050 -0.040 0.000 0.848 460 N CB 1.665 39.860 38.487 -0.486 0.000 1.629 460 N HN 0.846 nan 8.380 nan 0.000 0.481 461 E N 0.442 120.508 120.200 -0.224 0.000 2.106 461 E HA -0.192 4.158 4.350 -0.000 0.000 0.175 461 E C -0.762 175.756 176.600 -0.137 0.000 1.448 461 E CA 0.724 56.921 56.400 -0.338 0.000 0.672 461 E CB -1.252 27.971 29.700 -0.794 0.000 1.057 461 E HN 0.391 nan 8.360 nan 0.000 0.321 462 S N 0.054 115.819 115.700 0.108 0.000 2.843 462 S HA 0.392 4.862 4.470 -0.000 0.000 0.249 462 S C 0.729 175.492 174.600 0.272 0.000 1.047 462 S CA -0.168 58.148 58.200 0.192 0.000 1.042 462 S CB 1.325 64.695 63.200 0.283 0.000 0.936 462 S HN 0.830 nan 8.310 nan 0.000 0.531 463 G N 2.039 110.938 108.800 0.165 0.000 2.578 463 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.275 463 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.275 463 G C -0.479 174.629 174.900 0.347 0.000 1.271 463 G CA -0.031 45.168 45.100 0.165 0.000 0.941 463 G HN 0.628 nan 8.290 nan 0.000 0.564 464 H N 0.600 119.789 119.070 0.198 0.000 2.823 464 H HA 0.584 5.140 4.556 -0.000 0.000 0.332 464 H C 0.242 175.742 175.328 0.285 0.000 0.980 464 H CA 0.073 56.276 56.048 0.259 0.000 1.286 464 H CB 0.840 30.684 29.762 0.137 0.000 1.541 464 H HN 1.140 nan 8.280 nan 0.000 0.521 465 G N 1.415 110.218 108.800 0.006 0.000 2.730 465 G HA2 0.452 4.412 3.960 -0.000 0.000 0.289 465 G HA3 0.452 4.412 3.960 -0.000 0.000 0.289 465 G C 0.476 175.203 174.900 -0.287 0.000 1.341 465 G CA -0.158 44.797 45.100 -0.241 0.000 0.932 465 G HN 0.648 nan 8.290 nan 0.000 0.481 466 A N 0.088 122.793 122.820 -0.191 0.000 2.024 466 A HA -0.089 4.231 4.320 -0.000 0.000 0.220 466 A C 2.092 179.640 177.584 -0.060 0.000 1.164 466 A CA 1.927 53.906 52.037 -0.096 0.000 0.643 466 A CB -0.432 18.536 19.000 -0.052 0.000 0.806 466 A HN 0.515 nan 8.150 nan 0.000 0.451 467 N N -0.338 118.285 118.700 -0.128 0.000 2.223 467 N HA -0.136 4.604 4.740 -0.000 0.000 0.185 467 N C 1.394 176.840 175.510 -0.106 0.000 1.016 467 N CA 1.653 54.620 53.050 -0.138 0.000 0.863 467 N CB -0.620 37.738 38.487 -0.215 0.000 0.983 467 N HN 0.792 nan 8.380 nan 0.000 0.429 468 H N 0.261 119.288 119.070 -0.072 0.000 2.326 468 H HA -0.026 4.529 4.556 -0.000 0.000 0.301 468 H C 1.232 176.610 175.328 0.082 0.000 1.081 468 H CA 1.250 57.268 56.048 -0.049 0.000 1.334 468 H CB 0.164 29.888 29.762 -0.065 0.000 1.385 468 H HN 0.173 nan 8.280 nan 0.000 0.504 469 D N 0.484 121.028 120.400 0.240 0.000 2.123 469 D HA -0.148 4.492 4.640 -0.000 0.000 0.196 469 D C 2.304 178.750 176.300 0.244 0.000 0.992 469 D CA 1.230 55.370 54.000 0.234 0.000 0.833 469 D CB -0.506 40.403 40.800 0.181 0.000 0.954 469 D HN 0.426 nan 8.370 nan 0.000 0.455 470 A N 0.693 123.607 122.820 0.156 0.000 1.902 470 A HA -0.128 4.192 4.320 -0.000 0.000 0.217 470 A C 2.402 180.094 177.584 0.180 0.000 1.181 470 A CA 1.004 53.125 52.037 0.141 0.000 0.623 470 A CB -0.729 18.313 19.000 0.070 0.000 0.818 470 A HN 0.217 nan 8.150 nan 0.000 0.443 471 L N -2.281 119.038 121.223 0.161 0.000 2.179 471 L HA -0.111 4.229 4.340 -0.000 0.000 0.208 471 L C 2.547 179.566 176.870 0.247 0.000 1.096 471 L CA 1.343 56.283 54.840 0.167 0.000 0.779 471 L CB -0.646 41.447 42.059 0.057 0.000 0.922 471 L HN 0.595 nan 8.230 nan 0.000 0.443 472 Y N 0.828 121.209 120.300 0.135 0.000 2.128 472 Y HA -0.255 4.295 4.550 -0.000 0.000 0.284 472 Y C 2.846 178.821 175.900 0.125 0.000 1.154 472 Y CA 1.474 59.653 58.100 0.132 0.000 1.149 472 Y CB -0.162 38.377 38.460 0.131 0.000 0.976 472 Y HN -0.077 nan 8.280 nan 0.000 0.505 473 R N -0.020 120.582 120.500 0.169 0.000 2.096 473 R HA -0.228 4.112 4.340 -0.000 0.000 0.235 473 R C 2.069 178.362 176.300 -0.013 0.000 1.127 473 R CA 1.820 57.937 56.100 0.029 0.000 0.968 473 R CB -1.583 28.822 30.300 0.176 0.000 0.861 473 R HN 0.680 nan 8.270 nan 0.000 0.440 474 W N 1.017 122.272 121.300 -0.075 0.000 2.355 474 W HA -0.144 4.516 4.660 -0.000 0.000 0.309 474 W C 1.838 178.266 176.519 -0.152 0.000 1.206 474 W CA 1.570 58.858 57.345 -0.094 0.000 1.284 474 W CB -0.313 29.096 29.460 -0.084 0.000 1.145 474 W HN -0.017 nan 8.180 nan 0.000 0.502 475 I N 0.834 121.371 120.570 -0.055 0.000 2.226 475 I HA -0.326 3.844 4.170 -0.000 0.000 0.245 475 I C 2.358 178.247 176.117 -0.379 0.000 1.100 475 I CA 1.279 62.384 61.300 -0.325 0.000 1.374 475 I CB -0.825 37.069 38.000 -0.177 0.000 1.057 475 I HN -0.093 nan 8.210 nan 0.000 0.413 476 K N 0.902 121.098 120.400 -0.340 0.000 2.152 476 K HA -0.095 4.225 4.320 -0.000 0.000 0.206 476 K C 2.217 178.665 176.600 -0.254 0.000 1.048 476 K CA 1.336 57.448 56.287 -0.292 0.000 0.933 476 K CB -0.412 31.886 32.500 -0.338 0.000 0.721 476 K HN 0.302 nan 8.250 nan 0.000 0.447 477 S N 0.531 116.042 115.700 -0.316 0.000 2.395 477 S HA -0.032 4.438 4.470 -0.000 0.000 0.225 477 S C 2.169 176.546 174.600 -0.371 0.000 1.027 477 S CA 0.623 58.646 58.200 -0.295 0.000 0.965 477 S CB -0.026 63.008 63.200 -0.276 0.000 0.812 477 S HN -0.016 nan 8.310 nan 0.000 0.482 478 V N 1.265 120.818 119.914 -0.602 0.000 2.649 478 V HA 0.064 4.184 4.120 -0.000 0.000 0.248 478 V C 0.309 176.171 176.094 -0.386 0.000 1.054 478 V CA 1.160 63.098 62.300 -0.603 0.000 1.073 478 V CB -0.123 31.008 31.823 -1.153 0.000 0.699 478 V HN 0.368 nan 8.190 nan 0.000 0.463 479 D N -0.887 119.327 120.400 -0.309 0.000 2.364 479 D HA 0.248 4.888 4.640 -0.000 0.000 0.251 479 D C -2.169 174.118 176.300 -0.022 0.000 1.282 479 D CA -1.552 52.381 54.000 -0.111 0.000 0.927 479 D CB 1.686 42.513 40.800 0.044 0.000 1.267 479 D HN 0.087 nan 8.370 nan 0.000 0.531 480 P HA -0.009 nan 4.420 nan 0.000 0.241 480 P C 1.031 178.344 177.300 0.022 0.000 1.191 480 P CA 0.345 63.433 63.100 -0.020 0.000 0.771 480 P CB 0.159 31.839 31.700 -0.033 0.000 0.929 481 S N -1.243 114.480 115.700 0.038 0.000 2.561 481 S HA 0.080 4.550 4.470 -0.000 0.000 0.225 481 S C 0.875 175.496 174.600 0.034 0.000 0.977 481 S CA -0.097 58.130 58.200 0.044 0.000 0.926 481 S CB -0.358 62.863 63.200 0.035 0.000 0.769 481 S HN 0.079 nan 8.310 nan 0.000 0.533 482 R N 1.009 121.541 120.500 0.053 0.000 2.673 482 R HA 0.550 4.890 4.340 -0.000 0.000 0.281 482 R C -3.235 173.105 176.300 0.068 0.000 0.991 482 R CA -2.177 53.920 56.100 -0.006 0.000 0.896 482 R CB 1.583 31.767 30.300 -0.193 0.000 1.201 482 R HN 0.129 nan 8.270 nan 0.000 0.457 483 P HA 0.169 nan 4.420 nan 0.000 0.274 483 P C -0.789 176.609 177.300 0.163 0.000 1.246 483 P CA -0.477 62.679 63.100 0.094 0.000 0.795 483 P CB 0.723 32.465 31.700 0.070 0.000 1.006 484 V N 1.619 121.660 119.914 0.210 0.000 2.555 484 V HA 0.455 4.575 4.120 -0.000 0.000 0.302 484 V C 0.185 176.453 176.094 0.291 0.000 1.038 484 V CA -0.354 62.121 62.300 0.292 0.000 0.887 484 V CB 1.277 33.273 31.823 0.288 0.000 0.991 484 V HN 0.648 nan 8.190 nan 0.000 0.434 485 Q N 3.462 123.417 119.800 0.258 0.000 2.451 485 Q HA 0.800 5.140 4.340 -0.000 0.000 0.281 485 Q C -1.881 174.266 176.000 0.246 0.000 1.099 485 Q CA -0.942 54.977 55.803 0.194 0.000 0.806 485 Q CB 2.972 31.773 28.738 0.104 0.000 1.419 485 Q HN 0.661 nan 8.270 nan 0.000 0.427 486 Y N 0.340 120.642 120.300 0.004 0.000 2.314 486 Y HA 0.139 4.689 4.550 -0.000 0.000 0.317 486 Y C -0.506 175.330 175.900 -0.107 0.000 1.234 486 Y CA -0.666 57.404 58.100 -0.049 0.000 1.111 486 Y CB 1.968 40.388 38.460 -0.066 0.000 1.283 486 Y HN 0.963 nan 8.280 nan 0.000 0.418 487 E N 3.495 123.240 120.200 -0.759 0.000 2.299 487 E HA 0.109 4.459 4.350 -0.000 0.000 0.193 487 E C 0.713 176.857 176.600 -0.760 0.000 0.998 487 E CA 0.748 56.778 56.400 -0.616 0.000 0.851 487 E CB 0.238 29.687 29.700 -0.420 0.000 0.795 487 E HN 0.888 nan 8.360 nan 0.000 0.492 488 G N -0.188 107.740 108.800 -1.454 0.000 2.559 488 G HA2 0.222 4.182 3.960 -0.000 0.000 0.235 488 G HA3 0.222 4.182 3.960 -0.000 0.000 0.235 488 G C 0.772 175.510 174.900 -0.270 0.000 1.266 488 G CA 0.258 44.914 45.100 -0.739 0.000 0.847 488 G HN 0.328 nan 8.290 nan 0.000 0.583 489 G N -0.643 108.105 108.800 -0.088 0.000 2.198 489 G HA2 0.228 4.188 3.960 -0.000 0.000 0.260 489 G HA3 0.228 4.188 3.960 -0.000 0.000 0.260 489 G C 1.267 176.157 174.900 -0.016 0.000 1.025 489 G CA 1.034 46.145 45.100 0.019 0.000 0.769 489 G HN 2.600 nan 8.290 nan 0.000 0.507 490 G N -1.680 107.104 108.800 -0.027 0.000 2.229 490 G HA2 0.418 4.378 3.960 -0.000 0.000 0.189 490 G HA3 0.418 4.378 3.960 -0.000 0.000 0.189 490 G C 1.071 176.058 174.900 0.144 0.000 1.000 490 G CA 1.326 46.466 45.100 0.068 0.000 0.663 490 G HN 2.347 nan 8.290 nan 0.000 0.493 491 A N -0.184 122.615 122.820 -0.037 0.000 3.413 491 A HA -0.103 4.217 4.320 -0.000 0.000 0.268 491 A C 1.116 178.633 177.584 -0.111 0.000 1.128 491 A CA 2.661 54.626 52.037 -0.120 0.000 1.062 491 A CB -1.804 17.107 19.000 -0.150 0.000 1.121 491 A HN 2.131 nan 8.150 nan 0.000 0.895 492 D N -1.119 119.286 120.400 0.008 0.000 2.636 492 D HA 0.285 4.925 4.640 -0.000 0.000 0.270 492 D C 0.461 176.744 176.300 -0.027 0.000 1.430 492 D CA 0.902 54.916 54.000 0.023 0.000 0.796 492 D CB -1.173 39.771 40.800 0.241 0.000 1.117 492 D HN 0.862 nan 8.370 nan 0.000 0.480 493 T N -2.068 112.404 114.554 -0.136 0.000 2.652 493 T HA 0.153 4.503 4.350 -0.000 0.000 0.319 493 T C 1.623 176.187 174.700 -0.227 0.000 1.029 493 T CA 0.664 62.614 62.100 -0.251 0.000 0.990 493 T CB 0.695 69.191 68.868 -0.620 0.000 1.098 493 T HN 0.085 nan 8.240 nan 0.000 0.520 494 T N -2.345 112.061 114.554 -0.248 0.000 3.113 494 T HA 0.210 4.560 4.350 -0.000 0.000 0.263 494 T C 1.667 176.088 174.700 -0.466 0.000 1.143 494 T CA 0.361 62.323 62.100 -0.230 0.000 1.090 494 T CB -0.479 68.328 68.868 -0.101 0.000 0.922 494 T HN 0.828 nan 8.240 nan 0.000 0.521 495 A N 0.468 123.040 122.820 -0.413 0.000 2.379 495 A HA 0.479 4.799 4.320 -0.000 0.000 0.236 495 A C 0.931 178.303 177.584 -0.352 0.000 1.272 495 A CA -0.167 51.572 52.037 -0.496 0.000 0.886 495 A CB 0.023 19.009 19.000 -0.023 0.000 0.962 495 A HN 0.433 nan 8.150 nan 0.000 0.504 496 T N -1.539 112.854 114.554 -0.269 0.000 2.912 496 T HA 0.393 4.743 4.350 -0.000 0.000 0.299 496 T C -0.591 174.124 174.700 0.025 0.000 1.052 496 T CA -0.454 61.636 62.100 -0.017 0.000 0.996 496 T CB 1.327 70.183 68.868 -0.019 0.000 1.070 496 T HN 0.066 nan 8.240 nan 0.000 0.465 497 D N 2.667 123.159 120.400 0.153 0.000 2.354 497 D HA 0.298 4.938 4.640 -0.000 0.000 0.209 497 D C 0.266 176.595 176.300 0.047 0.000 1.015 497 D CA 0.658 54.736 54.000 0.131 0.000 0.867 497 D CB 0.394 41.299 40.800 0.176 0.000 0.933 497 D HN 0.529 nan 8.370 nan 0.000 0.520 498 I N 0.804 121.382 120.570 0.013 0.000 2.582 498 I HA 0.259 4.429 4.170 -0.000 0.000 0.292 498 I C -0.305 175.746 176.117 -0.111 0.000 1.066 498 I CA -0.906 60.367 61.300 -0.044 0.000 1.053 498 I CB 2.937 40.922 38.000 -0.025 0.000 1.241 498 I HN -0.356 nan 8.210 nan 0.000 0.421 499 I N 5.435 125.894 120.570 -0.185 0.000 2.436 499 I HA 0.082 4.252 4.170 -0.000 0.000 0.289 499 I C 0.027 175.936 176.117 -0.346 0.000 1.083 499 I CA -0.045 61.056 61.300 -0.333 0.000 1.372 499 I CB 0.165 37.864 38.000 -0.502 0.000 1.408 499 I HN 0.653 nan 8.210 nan 0.000 0.516 500 C N 5.527 124.639 119.300 -0.314 0.000 3.414 500 C HA 0.480 4.940 4.460 -0.000 0.000 0.208 500 C C -2.223 172.621 174.990 -0.243 0.000 1.422 500 C CA -2.287 56.590 59.018 -0.234 0.000 1.437 500 C CB -0.876 26.785 27.740 -0.132 0.000 1.850 500 C HN 0.401 nan 8.230 nan 0.000 0.481 501 P HA 0.381 nan 4.420 nan 0.000 0.275 501 P C -0.465 176.765 177.300 -0.116 0.000 1.266 501 P CA 0.129 63.114 63.100 -0.192 0.000 0.793 501 P CB 0.683 32.280 31.700 -0.172 0.000 1.074 502 M N -0.430 119.129 119.600 -0.069 0.000 2.197 502 M HA 0.475 4.955 4.480 -0.000 0.000 0.301 502 M C -0.985 175.272 176.300 -0.071 0.000 0.987 502 M CA -0.651 54.516 55.300 -0.221 0.000 0.921 502 M CB 1.527 33.966 32.600 -0.268 0.000 1.569 502 M HN 0.341 nan 8.290 nan 0.000 0.431 503 Y N -0.302 120.144 120.300 0.243 0.000 4.569 503 Y HA -0.201 4.349 4.550 -0.000 0.000 0.237 503 Y C 0.448 176.500 175.900 0.253 0.000 1.090 503 Y CA 0.436 58.680 58.100 0.240 0.000 2.052 503 Y CB -2.270 36.295 38.460 0.175 0.000 1.621 503 Y HN 0.994 nan 8.280 nan 0.000 0.682 504 A N 1.222 124.236 122.820 0.324 0.000 2.425 504 A HA 0.606 4.926 4.320 -0.000 0.000 0.249 504 A C 0.723 178.501 177.584 0.323 0.000 1.084 504 A CA -0.470 51.765 52.037 0.329 0.000 0.781 504 A CB 0.422 19.651 19.000 0.381 0.000 1.019 504 A HN 0.405 nan 8.150 nan 0.000 0.490 505 R N 1.376 122.002 120.500 0.211 0.000 2.546 505 R HA 0.333 4.673 4.340 -0.000 0.000 0.266 505 R C 0.952 177.224 176.300 -0.048 0.000 1.086 505 R CA -0.753 55.411 56.100 0.106 0.000 1.160 505 R CB 0.539 30.873 30.300 0.056 0.000 1.138 505 R HN 0.469 nan 8.270 nan 0.000 0.567 506 V N 0.631 120.369 119.914 -0.293 0.000 2.283 506 V HA -0.191 3.929 4.120 -0.000 0.000 0.243 506 V C 0.929 176.907 176.094 -0.194 0.000 1.039 506 V CA 1.877 63.956 62.300 -0.368 0.000 1.016 506 V CB -0.248 31.240 31.823 -0.559 0.000 0.650 506 V HN 0.751 nan 8.190 nan 0.000 0.449 507 D N -1.586 118.732 120.400 -0.136 0.000 2.479 507 D HA 0.156 4.795 4.640 -0.000 0.000 0.216 507 D C 0.649 176.928 176.300 -0.035 0.000 1.110 507 D CA 0.065 54.017 54.000 -0.080 0.000 0.841 507 D CB 0.838 41.595 40.800 -0.071 0.000 1.040 507 D HN 0.482 nan 8.370 nan 0.000 0.505 508 E N 1.223 121.409 120.200 -0.024 0.000 2.242 508 E HA 0.222 4.572 4.350 -0.000 0.000 0.275 508 E C -0.805 175.796 176.600 0.001 0.000 1.002 508 E CA -0.581 55.813 56.400 -0.010 0.000 0.841 508 E CB 1.500 31.193 29.700 -0.011 0.000 1.109 508 E HN -0.122 nan 8.360 nan 0.000 0.394 509 D N 1.960 122.357 120.400 -0.005 0.000 2.193 509 D HA 0.174 4.814 4.640 -0.000 0.000 0.249 509 D C -0.645 175.553 176.300 -0.169 0.000 1.034 509 D CA -0.164 53.826 54.000 -0.017 0.000 0.902 509 D CB 1.183 42.036 40.800 0.089 0.000 1.182 509 D HN 0.236 nan 8.370 nan 0.000 0.436 510 Q N 1.693 121.279 119.800 -0.357 0.000 2.616 510 Q HA 0.275 4.615 4.340 -0.000 0.000 0.250 510 Q C -2.313 173.040 176.000 -1.078 0.000 0.991 510 Q CA -1.607 53.790 55.803 -0.676 0.000 0.707 510 Q CB 2.527 30.866 28.738 -0.666 0.000 1.247 510 Q HN 0.139 nan 8.270 nan 0.000 0.491 511 P HA 0.084 nan 4.420 nan 0.000 0.219 511 P C -0.773 176.204 177.300 -0.537 0.000 1.832 511 P CA -0.169 62.514 63.100 -0.695 0.000 1.014 511 P CB -0.522 30.967 31.700 -0.352 0.000 1.939 512 F N 2.616 122.419 119.950 -0.244 0.000 2.459 512 F HA 0.243 4.770 4.527 -0.000 0.000 0.346 512 F C -1.168 174.527 175.800 -0.175 0.000 1.128 512 F CA -2.564 55.336 58.000 -0.166 0.000 1.268 512 F CB -0.348 38.568 39.000 -0.140 0.000 1.161 512 F HN 0.073 nan 8.300 nan 0.000 0.583 513 P HA 0.075 nan 4.420 nan 0.000 0.268 513 P C 0.322 177.637 177.300 0.026 0.000 1.204 513 P CA 0.859 63.976 63.100 0.029 0.000 0.768 513 P CB 1.175 32.892 31.700 0.029 0.000 0.842 514 A N 3.009 125.832 122.820 0.004 0.000 2.617 514 A HA -0.253 4.067 4.320 -0.000 0.000 0.236 514 A C 0.723 178.307 177.584 -0.001 0.000 0.514 514 A CA 2.091 54.133 52.037 0.008 0.000 1.126 514 A CB -2.699 16.308 19.000 0.013 0.000 1.393 514 A HN 0.717 nan 8.150 nan 0.000 0.693 515 V N -3.222 116.692 119.914 -0.000 0.000 2.502 515 V HA 0.567 4.687 4.120 -0.000 0.000 0.261 515 V C -2.433 173.659 176.094 -0.004 0.000 0.996 515 V CA -1.205 61.093 62.300 -0.002 0.000 1.095 515 V CB 0.750 32.580 31.823 0.011 0.000 1.325 515 V HN 0.479 nan 8.190 nan 0.000 0.574 516 P HA 0.351 nan 4.420 nan 0.000 0.274 516 P C -0.755 176.098 177.300 -0.745 0.000 1.246 516 P CA -0.022 62.714 63.100 -0.606 0.000 0.795 516 P CB 1.055 31.982 31.700 -1.288 0.000 1.006 517 K N 1.651 121.621 120.400 -0.717 0.000 2.521 517 K HA 0.252 4.572 4.320 -0.000 0.000 0.248 517 K C -0.529 175.753 176.600 -0.531 0.000 0.978 517 K CA -0.282 55.747 56.287 -0.430 0.000 0.947 517 K CB 0.717 33.266 32.500 0.080 0.000 1.165 517 K HN 0.473 nan 8.250 nan 0.000 0.445 518 W N 1.391 122.378 121.300 -0.523 0.000 2.129 518 W HA 0.078 4.738 4.660 -0.000 0.000 0.349 518 W C 1.303 177.815 176.519 -0.012 0.000 1.279 518 W CA -0.684 56.452 57.345 -0.349 0.000 1.306 518 W CB 0.555 29.631 29.460 -0.640 0.000 1.140 518 W HN 0.409 nan 8.180 nan 0.000 0.613 519 S N 3.079 118.932 115.700 0.255 0.000 2.552 519 S HA -0.071 4.399 4.470 -0.000 0.000 0.289 519 S C 1.150 175.887 174.600 0.229 0.000 1.304 519 S CA -0.293 58.000 58.200 0.155 0.000 1.063 519 S CB 0.146 63.380 63.200 0.056 0.000 0.848 519 S HN 0.522 nan 8.310 nan 0.000 0.499 520 I N 2.347 123.020 120.570 0.172 0.000 2.454 520 I HA -0.157 4.013 4.170 -0.000 0.000 0.254 520 I C 1.835 177.968 176.117 0.028 0.000 1.156 520 I CA 1.147 62.551 61.300 0.174 0.000 1.433 520 I CB -0.495 37.547 38.000 0.071 0.000 1.082 520 I HN 0.625 nan 8.210 nan 0.000 0.432 521 K N 2.052 122.375 120.400 -0.129 0.000 2.155 521 K HA -0.150 4.170 4.320 -0.000 0.000 0.203 521 K C 2.154 178.731 176.600 -0.039 0.000 1.052 521 K CA 1.521 57.651 56.287 -0.261 0.000 0.948 521 K CB -0.281 31.969 32.500 -0.417 0.000 0.728 521 K HN 0.451 nan 8.250 nan 0.000 0.448 522 K N 0.588 120.992 120.400 0.006 0.000 2.167 522 K HA -0.133 4.187 4.320 -0.000 0.000 0.203 522 K C 1.865 178.463 176.600 -0.003 0.000 1.052 522 K CA 0.509 56.783 56.287 -0.022 0.000 0.956 522 K CB -0.060 32.394 32.500 -0.078 0.000 0.735 522 K HN 0.169 nan 8.250 nan 0.000 0.451 523 W N 2.022 123.279 121.300 -0.072 0.000 2.342 523 W HA -0.176 4.484 4.660 -0.000 0.000 0.297 523 W C 1.453 177.936 176.519 -0.061 0.000 1.213 523 W CA 1.200 58.514 57.345 -0.052 0.000 1.251 523 W CB -0.407 29.114 29.460 0.101 0.000 1.136 523 W HN 0.108 nan 8.180 nan 0.000 0.526 524 L N 0.765 122.138 121.223 0.251 0.000 2.191 524 L HA -0.211 4.129 4.340 -0.000 0.000 0.212 524 L C 2.478 179.405 176.870 0.095 0.000 1.103 524 L CA 1.771 56.697 54.840 0.142 0.000 0.769 524 L CB -0.980 41.142 42.059 0.106 0.000 0.908 524 L HN -0.031 nan 8.230 nan 0.000 0.438 525 S N -0.928 114.807 115.700 0.058 0.000 2.575 525 S HA 0.158 4.628 4.470 -0.000 0.000 0.215 525 S C 0.766 175.343 174.600 -0.038 0.000 0.966 525 S CA -0.464 57.743 58.200 0.011 0.000 0.911 525 S CB -0.432 62.770 63.200 0.003 0.000 0.780 525 S HN 0.187 nan 8.310 nan 0.000 0.514 526 L N 2.146 123.334 121.223 -0.060 0.000 2.506 526 L HA 0.240 4.580 4.340 -0.000 0.000 0.281 526 L C -2.235 174.601 176.870 -0.056 0.000 1.228 526 L CA -1.727 53.039 54.840 -0.124 0.000 0.850 526 L CB -0.431 41.517 42.059 -0.184 0.000 1.110 526 L HN 0.039 nan 8.230 nan 0.000 0.496 527 P HA -0.000 nan 4.420 nan 0.000 0.260 527 P C 0.796 178.087 177.300 -0.015 0.000 1.185 527 P CA 0.916 63.992 63.100 -0.040 0.000 0.763 527 P CB 0.569 32.240 31.700 -0.048 0.000 0.776 528 G N 1.986 110.784 108.800 -0.004 0.000 2.199 528 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.254 528 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.254 528 G C 0.253 175.167 174.900 0.022 0.000 0.982 528 G CA -0.000 45.105 45.100 0.009 0.000 0.632 528 G HN 0.605 nan 8.290 nan 0.000 0.529 529 E N 1.137 121.356 120.200 0.031 0.000 2.338 529 E HA 0.587 4.937 4.350 -0.000 0.000 0.272 529 E C 1.377 177.999 176.600 0.037 0.000 1.029 529 E CA 0.641 57.072 56.400 0.051 0.000 0.872 529 E CB 0.836 30.592 29.700 0.095 0.000 1.015 529 E HN 0.561 nan 8.360 nan 0.000 0.417 530 T N 0.629 115.201 114.554 0.030 0.000 3.087 530 T HA 0.332 4.682 4.350 -0.000 0.000 0.283 530 T C 0.602 175.309 174.700 0.011 0.000 0.956 530 T CA -0.435 61.677 62.100 0.020 0.000 0.894 530 T CB 0.108 68.987 68.868 0.019 0.000 1.160 530 T HN 0.243 nan 8.240 nan 0.000 0.532 531 R N 2.169 122.671 120.500 0.004 0.000 2.707 531 R HA 0.469 4.809 4.340 -0.000 0.000 0.270 531 R C -2.541 173.737 176.300 -0.036 0.000 1.083 531 R CA -1.735 54.356 56.100 -0.015 0.000 1.182 531 R CB 0.037 30.321 30.300 -0.027 0.000 1.084 531 R HN 0.228 nan 8.270 nan 0.000 0.528 532 P HA 0.135 nan 4.420 nan 0.000 0.276 532 P C -1.117 176.111 177.300 -0.119 0.000 1.252 532 P CA -0.227 62.830 63.100 -0.072 0.000 0.802 532 P CB 0.659 32.317 31.700 -0.070 0.000 1.035 533 L N 2.057 123.190 121.223 -0.150 0.000 2.376 533 L HA 0.583 4.923 4.340 -0.000 0.000 0.275 533 L C -1.168 175.563 176.870 -0.231 0.000 0.987 533 L CA -0.566 54.146 54.840 -0.213 0.000 0.828 533 L CB 0.640 42.564 42.059 -0.225 0.000 1.249 533 L HN 0.222 nan 8.230 nan 0.000 0.409 534 I N 5.744 126.182 120.570 -0.221 0.000 2.500 534 I HA 0.264 4.434 4.170 -0.000 0.000 0.286 534 I C -0.790 175.235 176.117 -0.154 0.000 1.063 534 I CA -0.556 60.606 61.300 -0.229 0.000 1.062 534 I CB 2.040 39.960 38.000 -0.134 0.000 1.223 534 I HN 0.482 nan 8.210 nan 0.000 0.435 535 L N 5.668 126.772 121.223 -0.198 0.000 2.410 535 L HA 0.052 4.391 4.340 -0.000 0.000 0.273 535 L C 1.502 178.441 176.870 0.115 0.000 1.144 535 L CA -0.183 54.602 54.840 -0.092 0.000 0.863 535 L CB 0.733 42.706 42.059 -0.143 0.000 1.140 535 L HN 0.870 nan 8.230 nan 0.000 0.463 536 C N 0.603 119.948 119.300 0.075 0.000 2.446 536 C HA 0.096 4.556 4.460 -0.000 0.000 0.279 536 C C 0.646 175.756 174.990 0.200 0.000 1.366 536 C CA -0.080 59.014 59.018 0.128 0.000 1.763 536 C CB -0.984 26.743 27.740 -0.021 0.000 1.929 536 C HN 0.825 nan 8.230 nan 0.000 0.509 537 E N -0.828 119.421 120.200 0.081 0.000 2.304 537 E HA 0.607 4.957 4.350 -0.000 0.000 0.277 537 E C -1.302 175.249 176.600 -0.081 0.000 0.898 537 E CA -0.396 56.045 56.400 0.070 0.000 0.764 537 E CB 1.833 31.412 29.700 -0.203 0.000 1.216 537 E HN 0.692 nan 8.360 nan 0.000 0.419 538 Y N -0.912 119.379 120.300 -0.014 0.000 2.670 538 Y HA 0.668 5.218 4.550 -0.000 0.000 0.334 538 Y C -0.594 175.473 175.900 0.280 0.000 1.185 538 Y CA -0.996 57.106 58.100 0.004 0.000 1.053 538 Y CB 1.024 39.366 38.460 -0.197 0.000 1.298 538 Y HN 0.653 nan 8.280 nan 0.000 0.459 539 A N 1.929 124.810 122.820 0.101 0.000 2.303 539 A HA -0.270 4.050 4.320 -0.000 0.000 0.286 539 A C -0.356 177.361 177.584 0.222 0.000 1.429 539 A CA 1.038 53.127 52.037 0.086 0.000 0.738 539 A CB -2.495 16.419 19.000 -0.143 0.000 1.149 539 A HN 1.058 nan 8.150 nan 0.000 0.364 540 H N 0.864 120.087 119.070 0.255 0.000 3.226 540 H HA 0.224 4.780 4.556 -0.000 0.000 0.260 540 H C 1.227 176.624 175.328 0.115 0.000 0.967 540 H CA 0.793 57.002 56.048 0.267 0.000 1.435 540 H CB 0.347 30.145 29.762 0.060 0.000 1.533 540 H HN 0.816 nan 8.280 nan 0.000 0.525 541 A N 6.440 129.196 122.820 -0.107 0.000 2.426 541 A HA 0.019 4.339 4.320 -0.000 0.000 0.247 541 A C 0.986 178.440 177.584 -0.217 0.000 1.389 541 A CA -0.291 51.647 52.037 -0.167 0.000 1.129 541 A CB -0.672 18.212 19.000 -0.194 0.000 0.928 541 A HN 0.793 nan 8.150 nan 0.000 0.557 542 M N 1.346 120.807 119.600 -0.232 0.000 2.156 542 M HA 0.432 4.912 4.480 -0.000 0.000 0.345 542 M C 0.976 177.126 176.300 -0.251 0.000 1.398 542 M CA 1.239 56.405 55.300 -0.223 0.000 1.148 542 M CB -0.323 32.192 32.600 -0.143 0.000 1.663 542 M HN 0.796 nan 8.290 nan 0.000 0.464 543 G N 4.328 112.957 108.800 -0.284 0.000 2.528 543 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.262 543 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.262 543 G C -0.279 174.157 174.900 -0.773 0.000 1.200 543 G CA -0.045 44.733 45.100 -0.538 0.000 0.951 543 G HN 0.817 nan 8.290 nan 0.000 0.566 544 N N 1.349 119.449 118.700 -1.000 0.000 2.421 544 N HA 0.525 5.265 4.740 -0.000 0.000 0.260 544 N C -0.008 175.246 175.510 -0.427 0.000 1.173 544 N CA 1.085 53.677 53.050 -0.765 0.000 0.960 544 N CB 0.527 38.573 38.487 -0.736 0.000 1.273 544 N HN 0.791 nan 8.380 nan 0.000 0.497 545 S N 1.910 117.441 115.700 -0.283 0.000 2.998 545 S HA 0.588 5.058 4.470 -0.000 0.000 0.321 545 S C -0.193 174.334 174.600 -0.122 0.000 1.171 545 S CA -0.396 57.695 58.200 -0.182 0.000 0.882 545 S CB 0.169 63.285 63.200 -0.141 0.000 1.301 545 S HN 0.396 nan 8.310 nan 0.000 0.629 546 L N 0.194 121.377 121.223 -0.067 0.000 4.613 546 L HA -0.067 4.273 4.340 -0.000 0.000 0.409 546 L C 0.461 177.362 176.870 0.051 0.000 1.100 546 L CA 0.893 55.714 54.840 -0.033 0.000 1.029 546 L CB -1.712 40.240 42.059 -0.178 0.000 2.137 546 L HN 0.702 nan 8.230 nan 0.000 0.713 547 G N -0.854 107.952 108.800 0.009 0.000 2.378 547 G HA2 0.486 4.446 3.960 -0.000 0.000 0.255 547 G HA3 0.486 4.446 3.960 -0.000 0.000 0.255 547 G C 1.211 176.162 174.900 0.086 0.000 1.270 547 G CA 0.150 45.238 45.100 -0.019 0.000 0.876 547 G HN 1.375 nan 8.290 nan 0.000 0.521 548 G N 1.585 110.440 108.800 0.092 0.000 2.175 548 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.244 548 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.244 548 G C 1.001 176.105 174.900 0.341 0.000 0.982 548 G CA 0.718 45.932 45.100 0.190 0.000 0.641 548 G HN 0.775 nan 8.290 nan 0.000 0.527 549 F N 1.872 121.950 119.950 0.214 0.000 2.126 549 F HA 0.117 4.644 4.527 -0.000 0.000 0.299 549 F C 2.669 178.692 175.800 0.371 0.000 1.096 549 F CA 2.552 60.746 58.000 0.322 0.000 1.255 549 F CB -0.439 38.679 39.000 0.197 0.000 0.997 549 F HN 0.351 nan 8.300 nan 0.000 0.479 550 A N -0.125 122.853 122.820 0.263 0.000 1.972 550 A HA -0.206 4.114 4.320 -0.000 0.000 0.219 550 A C 2.298 179.901 177.584 0.032 0.000 1.169 550 A CA 1.620 53.742 52.037 0.141 0.000 0.635 550 A CB -0.664 18.427 19.000 0.152 0.000 0.810 550 A HN 0.408 nan 8.150 nan 0.000 0.446 551 K N -1.448 118.959 120.400 0.012 0.000 2.063 551 K HA -0.201 4.119 4.320 -0.000 0.000 0.208 551 K C 1.810 178.192 176.600 -0.363 0.000 1.048 551 K CA 1.938 58.141 56.287 -0.139 0.000 0.928 551 K CB -0.385 32.008 32.500 -0.178 0.000 0.713 551 K HN 0.673 nan 8.250 nan 0.000 0.442 552 Y N -0.690 119.345 120.300 -0.440 0.000 2.145 552 Y HA -0.258 4.291 4.550 -0.000 0.000 0.286 552 Y C 2.173 177.144 175.900 -1.548 0.000 1.145 552 Y CA 1.361 58.849 58.100 -1.020 0.000 1.148 552 Y CB -0.396 37.467 38.460 -0.994 0.000 0.981 552 Y HN 0.169 nan 8.280 nan 0.000 0.507 553 W N 0.148 121.042 121.300 -0.676 0.000 2.374 553 W HA -0.192 4.468 4.660 -0.000 0.000 0.288 553 W C 2.593 178.933 176.519 -0.298 0.000 1.218 553 W CA 1.585 58.647 57.345 -0.471 0.000 1.245 553 W CB -0.546 28.723 29.460 -0.317 0.000 1.126 553 W HN 0.112 nan 8.180 nan 0.000 0.545 554 Q N -0.029 119.673 119.800 -0.164 0.000 2.079 554 Q HA -0.149 4.191 4.340 -0.000 0.000 0.200 554 Q C 2.329 178.259 176.000 -0.118 0.000 0.974 554 Q CA 1.686 57.437 55.803 -0.088 0.000 0.840 554 Q CB -0.331 28.370 28.738 -0.062 0.000 0.898 554 Q HN 0.258 nan 8.270 nan 0.000 0.430 555 A N 0.152 122.808 122.820 -0.274 0.000 1.902 555 A HA -0.144 4.176 4.320 -0.000 0.000 0.217 555 A C 1.828 179.366 177.584 -0.076 0.000 1.181 555 A CA 1.025 52.937 52.037 -0.207 0.000 0.623 555 A CB -1.001 17.751 19.000 -0.414 0.000 0.818 555 A HN 0.471 nan 8.150 nan 0.000 0.443 556 F N -0.591 119.185 119.950 -0.290 0.000 2.161 556 F HA -0.188 4.339 4.527 -0.000 0.000 0.300 556 F C 2.720 178.421 175.800 -0.164 0.000 1.089 556 F CA 1.084 58.884 58.000 -0.333 0.000 1.282 556 F CB -0.134 38.462 39.000 -0.674 0.000 1.010 556 F HN 0.143 nan 8.300 nan 0.000 0.485 557 R N -0.002 120.556 120.500 0.097 0.000 2.148 557 R HA -0.149 4.191 4.340 -0.000 0.000 0.223 557 R C 2.113 178.451 176.300 0.064 0.000 1.088 557 R CA 1.005 57.150 56.100 0.075 0.000 0.985 557 R CB -0.247 30.093 30.300 0.066 0.000 0.880 557 R HN 0.374 nan 8.270 nan 0.000 0.451 558 Q N -0.572 119.294 119.800 0.109 0.000 2.302 558 Q HA -0.022 4.318 4.340 -0.000 0.000 0.202 558 Q C -0.560 175.470 176.000 0.051 0.000 0.936 558 Q CA 0.699 56.556 55.803 0.089 0.000 0.886 558 Q CB 0.473 29.287 28.738 0.127 0.000 0.986 558 Q HN 0.167 nan 8.270 nan 0.000 0.487 559 Y N 0.111 120.393 120.300 -0.030 0.000 2.331 559 Y HA 0.297 4.847 4.550 -0.000 0.000 0.338 559 Y C -1.800 174.076 175.900 -0.039 0.000 0.976 559 Y CA -2.859 55.223 58.100 -0.030 0.000 1.137 559 Y CB 1.514 39.960 38.460 -0.024 0.000 1.172 559 Y HN 0.081 nan 8.280 nan 0.000 0.478 560 P HA -0.150 nan 4.420 nan 0.000 0.215 560 P C 1.109 178.415 177.300 0.009 0.000 1.157 560 P CA 1.755 64.864 63.100 0.015 0.000 0.868 560 P CB 0.323 32.015 31.700 -0.014 0.000 0.788 561 R N -0.949 119.574 120.500 0.037 0.000 2.339 561 R HA 0.089 4.429 4.340 -0.000 0.000 0.199 561 R C 0.423 176.702 176.300 -0.034 0.000 1.018 561 R CA 0.195 56.296 56.100 0.001 0.000 1.036 561 R CB -0.537 29.772 30.300 0.015 0.000 0.899 561 R HN 0.280 nan 8.270 nan 0.000 0.473 562 L N 1.982 123.199 121.223 -0.009 0.000 2.302 562 L HA 0.147 4.487 4.340 -0.000 0.000 0.285 562 L C 0.724 177.453 176.870 -0.234 0.000 1.090 562 L CA 0.061 54.848 54.840 -0.087 0.000 0.866 562 L CB 1.181 43.261 42.059 0.035 0.000 1.244 562 L HN 0.035 nan 8.230 nan 0.000 0.435 563 Q N 2.683 122.280 119.800 -0.339 0.000 2.222 563 Q HA 0.309 4.649 4.340 -0.000 0.000 0.206 563 Q C 0.855 176.448 176.000 -0.677 0.000 0.877 563 Q CA 0.127 55.690 55.803 -0.400 0.000 0.958 563 Q CB 0.941 29.530 28.738 -0.248 0.000 1.075 563 Q HN 0.938 nan 8.270 nan 0.000 0.483 564 G N -0.387 107.651 108.800 -1.271 0.000 2.337 564 G HA2 0.170 4.129 3.960 -0.000 0.000 0.197 564 G HA3 0.170 4.129 3.960 -0.000 0.000 0.197 564 G C -0.434 173.681 174.900 -1.308 0.000 1.238 564 G CA -0.738 43.297 45.100 -1.775 0.000 1.119 564 G HN 0.525 nan 8.290 nan 0.000 0.514 565 G N -2.166 106.123 108.800 -0.852 0.000 2.342 565 G HA2 0.651 4.611 3.960 -0.000 0.000 0.297 565 G HA3 0.651 4.611 3.960 -0.000 0.000 0.297 565 G C -1.935 172.866 174.900 -0.165 0.000 1.313 565 G CA -0.351 44.465 45.100 -0.473 0.000 0.830 565 G HN 1.124 nan 8.290 nan 0.000 0.506 566 F N 0.613 120.794 119.950 0.385 0.000 2.460 566 F HA 0.533 5.060 4.527 -0.000 0.000 0.341 566 F C 0.725 176.817 175.800 0.488 0.000 1.130 566 F CA -0.754 57.502 58.000 0.426 0.000 0.962 566 F CB 2.116 41.269 39.000 0.254 0.000 1.171 566 F HN 0.260 nan 8.300 nan 0.000 0.436 567 V N 3.081 123.306 119.914 0.519 0.000 2.963 567 V HA -0.091 4.029 4.120 -0.000 0.000 0.306 567 V C -0.320 175.954 176.094 0.299 0.000 1.077 567 V CA -0.333 62.089 62.300 0.203 0.000 1.124 567 V CB 0.943 32.865 31.823 0.164 0.000 0.987 567 V HN 0.779 nan 8.190 nan 0.000 0.487 568 W N 5.995 127.370 121.300 0.126 0.000 2.336 568 W HA 0.468 5.128 4.660 -0.000 0.000 0.315 568 W C -1.048 175.490 176.519 0.031 0.000 1.016 568 W CA -0.686 56.765 57.345 0.176 0.000 1.318 568 W CB 1.429 31.137 29.460 0.413 0.000 1.247 568 W HN 0.916 nan 8.180 nan 0.000 0.414 569 D N 2.647 122.719 120.400 -0.547 0.000 2.812 569 D HA 0.123 4.763 4.640 -0.000 0.000 0.318 569 D C 0.675 176.761 176.300 -0.358 0.000 1.234 569 D CA -0.558 53.013 54.000 -0.716 0.000 0.989 569 D CB 0.283 40.127 40.800 -1.594 0.000 1.442 569 D HN 0.411 nan 8.370 nan 0.000 0.537 570 W N 0.571 121.564 121.300 -0.512 0.000 2.381 570 W HA 0.081 4.741 4.660 -0.000 0.000 0.321 570 W C -0.124 176.168 176.519 -0.377 0.000 1.196 570 W CA 1.359 58.457 57.345 -0.411 0.000 1.304 570 W CB 0.196 29.443 29.460 -0.354 0.000 1.166 570 W HN 0.224 nan 8.180 nan 0.000 0.473 571 V N 0.806 120.528 119.914 -0.320 0.000 2.715 571 V HA 0.295 4.415 4.120 -0.000 0.000 0.310 571 V C -0.537 175.358 176.094 -0.330 0.000 1.054 571 V CA -1.125 60.917 62.300 -0.430 0.000 0.928 571 V CB 1.321 33.013 31.823 -0.219 0.000 1.007 571 V HN -0.125 nan 8.190 nan 0.000 0.437 572 D N 2.060 122.270 120.400 -0.317 0.000 2.455 572 D HA 0.129 4.769 4.640 -0.000 0.000 0.241 572 D C 0.193 176.344 176.300 -0.248 0.000 1.138 572 D CA 0.535 54.402 54.000 -0.220 0.000 0.877 572 D CB 1.062 41.816 40.800 -0.076 0.000 1.187 572 D HN 0.651 nan 8.370 nan 0.000 0.451 573 Q N 1.165 120.772 119.800 -0.323 0.000 3.135 573 Q HA 0.162 4.502 4.340 -0.000 0.000 0.344 573 Q C -0.367 175.630 176.000 -0.005 0.000 1.321 573 Q CA -0.374 55.070 55.803 -0.599 0.000 1.050 573 Q CB 0.198 28.634 28.738 -0.504 0.000 1.498 573 Q HN 0.350 nan 8.270 nan 0.000 0.503 574 S N -0.067 115.732 115.700 0.165 0.000 2.565 574 S HA 0.669 5.139 4.470 -0.000 0.000 0.290 574 S C -0.227 174.558 174.600 0.307 0.000 1.150 574 S CA -0.821 57.572 58.200 0.323 0.000 1.058 574 S CB 1.611 64.971 63.200 0.267 0.000 1.032 574 S HN 0.328 nan 8.310 nan 0.000 0.510 575 L N 1.800 123.137 121.223 0.190 0.000 2.334 575 L HA 0.573 4.913 4.340 -0.000 0.000 0.273 575 L C -0.377 176.420 176.870 -0.123 0.000 1.013 575 L CA -1.065 53.754 54.840 -0.035 0.000 0.816 575 L CB 1.546 43.453 42.059 -0.253 0.000 1.278 575 L HN 0.645 nan 8.230 nan 0.000 0.431 576 I N 2.276 122.714 120.570 -0.219 0.000 2.474 576 I HA 0.200 4.370 4.170 -0.000 0.000 0.287 576 I C 0.072 175.836 176.117 -0.588 0.000 1.048 576 I CA 0.199 61.252 61.300 -0.412 0.000 1.383 576 I CB 0.736 38.509 38.000 -0.379 0.000 1.412 576 I HN 0.525 nan 8.210 nan 0.000 0.531 577 K N 4.798 124.564 120.400 -1.056 0.000 2.433 577 K HA 0.585 4.905 4.320 -0.000 0.000 0.252 577 K C -1.745 174.088 176.600 -1.277 0.000 1.015 577 K CA -0.865 54.729 56.287 -1.155 0.000 0.860 577 K CB 2.344 33.859 32.500 -1.641 0.000 1.359 577 K HN 0.249 nan 8.250 nan 0.000 0.452 578 Y N 0.402 120.458 120.300 -0.406 0.000 2.499 578 Y HA 0.184 4.734 4.550 -0.000 0.000 0.347 578 Y C -0.153 175.861 175.900 0.189 0.000 0.987 578 Y CA -1.226 56.831 58.100 -0.072 0.000 1.044 578 Y CB 1.357 39.789 38.460 -0.046 0.000 1.245 578 Y HN 0.630 nan 8.280 nan 0.000 0.461 579 D N -0.271 120.393 120.400 0.440 0.000 2.340 579 D HA 0.163 4.803 4.640 -0.000 0.000 0.251 579 D C 0.481 176.894 176.300 0.189 0.000 1.080 579 D CA -0.660 53.519 54.000 0.298 0.000 0.971 579 D CB 0.988 41.900 40.800 0.186 0.000 1.137 579 D HN 0.562 nan 8.370 nan 0.000 0.475 580 E N 0.439 120.707 120.200 0.114 0.000 2.253 580 E HA -0.249 4.101 4.350 -0.000 0.000 0.202 580 E C 0.661 177.295 176.600 0.057 0.000 1.014 580 E CA 1.400 57.840 56.400 0.066 0.000 0.823 580 E CB -0.613 29.110 29.700 0.037 0.000 0.736 580 E HN 0.432 nan 8.360 nan 0.000 0.478 581 N N 0.266 119.010 118.700 0.073 0.000 2.370 581 N HA 0.109 4.849 4.740 -0.000 0.000 0.198 581 N C 0.703 176.259 175.510 0.076 0.000 1.156 581 N CA 0.818 53.904 53.050 0.061 0.000 0.839 581 N CB 0.743 39.262 38.487 0.053 0.000 0.989 581 N HN 0.346 nan 8.380 nan 0.000 0.468 582 G N 1.064 109.926 108.800 0.103 0.000 2.221 582 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.265 582 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.265 582 G C -0.396 174.659 174.900 0.259 0.000 1.041 582 G CA -0.307 44.858 45.100 0.107 0.000 0.807 582 G HN 0.272 nan 8.290 nan 0.000 0.502 583 N N 1.166 120.040 118.700 0.289 0.000 2.438 583 N HA 0.514 5.254 4.740 -0.000 0.000 0.282 583 N C -2.528 173.143 175.510 0.267 0.000 1.037 583 N CA -1.418 51.789 53.050 0.263 0.000 0.942 583 N CB 2.171 40.762 38.487 0.173 0.000 1.136 583 N HN 0.145 nan 8.380 nan 0.000 0.481 584 P HA 0.361 nan 4.420 nan 0.000 0.288 584 P C -0.569 176.670 177.300 -0.102 0.000 1.267 584 P CA -0.451 62.413 63.100 -0.393 0.000 0.815 584 P CB 0.841 32.297 31.700 -0.407 0.000 0.989 585 W N -0.283 120.746 121.300 -0.451 0.000 3.083 585 W HA 0.472 5.132 4.660 -0.000 0.000 0.333 585 W C -1.413 174.919 176.519 -0.313 0.000 1.217 585 W CA -1.125 55.977 57.345 -0.405 0.000 1.170 585 W CB 0.444 29.461 29.460 -0.737 0.000 1.437 585 W HN 0.096 nan 8.180 nan 0.000 0.557 586 S N 1.493 117.284 115.700 0.151 0.000 2.474 586 S HA 0.556 5.026 4.470 -0.000 0.000 0.276 586 S C 0.124 174.917 174.600 0.321 0.000 1.227 586 S CA -0.210 58.077 58.200 0.145 0.000 1.050 586 S CB 0.670 63.998 63.200 0.212 0.000 0.939 586 S HN 0.589 nan 8.310 nan 0.000 0.490 587 A N 3.261 126.127 122.820 0.077 0.000 2.340 587 A HA 0.867 5.187 4.320 -0.000 0.000 0.331 587 A C -0.743 177.119 177.584 0.463 0.000 1.140 587 A CA -0.726 51.392 52.037 0.134 0.000 0.801 587 A CB 0.670 19.472 19.000 -0.329 0.000 1.234 587 A HN 0.840 nan 8.150 nan 0.000 0.469 588 Y N -0.553 120.082 120.300 0.559 0.000 2.857 588 Y HA 0.771 5.321 4.550 -0.000 0.000 0.318 588 Y C 0.601 176.850 175.900 0.582 0.000 1.313 588 Y CA -1.432 56.977 58.100 0.515 0.000 1.117 588 Y CB 0.016 38.601 38.460 0.209 0.000 1.344 588 Y HN 0.946 nan 8.280 nan 0.000 0.525 589 G N 0.005 109.164 108.800 0.598 0.000 2.224 589 G HA2 0.360 4.320 3.960 -0.000 0.000 0.239 589 G HA3 0.360 4.320 3.960 -0.000 0.000 0.239 589 G C 0.985 176.211 174.900 0.543 0.000 1.240 589 G CA 0.490 45.877 45.100 0.478 0.000 0.896 589 G HN 2.020 nan 8.290 nan 0.000 0.496 590 G N 2.186 111.277 108.800 0.485 0.000 2.225 590 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.254 590 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.254 590 G C 0.914 176.019 174.900 0.341 0.000 0.988 590 G CA 0.712 46.036 45.100 0.374 0.000 0.625 590 G HN 0.656 nan 8.290 nan 0.000 0.527 591 D N -0.282 120.345 120.400 0.377 0.000 2.371 591 D HA 0.142 4.782 4.640 -0.000 0.000 0.221 591 D C 1.315 177.497 176.300 -0.197 0.000 0.986 591 D CA 0.546 54.603 54.000 0.094 0.000 0.899 591 D CB -0.189 40.608 40.800 -0.006 0.000 0.902 591 D HN 0.480 nan 8.370 nan 0.000 0.530 592 F N -1.020 119.052 119.950 0.203 0.000 2.683 592 F HA 0.313 4.840 4.527 -0.000 0.000 0.306 592 F C 1.771 177.655 175.800 0.140 0.000 1.102 592 F CA -0.175 57.906 58.000 0.135 0.000 1.244 592 F CB 0.719 39.794 39.000 0.125 0.000 1.029 592 F HN -0.058 nan 8.300 nan 0.000 0.545 593 G N 0.548 109.514 108.800 0.276 0.000 2.159 593 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.256 593 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.256 593 G C -0.158 174.882 174.900 0.234 0.000 0.977 593 G CA 0.135 45.361 45.100 0.210 0.000 0.652 593 G HN 0.424 nan 8.290 nan 0.000 0.531 594 D N 0.746 121.336 120.400 0.317 0.000 2.450 594 D HA 0.406 5.046 4.640 -0.000 0.000 0.247 594 D C -0.090 176.336 176.300 0.211 0.000 1.162 594 D CA 0.695 54.870 54.000 0.293 0.000 0.879 594 D CB 1.059 42.092 40.800 0.389 0.000 1.163 594 D HN 0.085 nan 8.370 nan 0.000 0.472 595 T N 2.841 117.491 114.554 0.160 0.000 2.971 595 T HA 0.451 4.801 4.350 -0.000 0.000 0.304 595 T C -2.368 172.374 174.700 0.071 0.000 1.038 595 T CA -0.979 61.183 62.100 0.104 0.000 1.007 595 T CB 1.965 70.889 68.868 0.093 0.000 1.055 595 T HN 0.400 nan 8.240 nan 0.000 0.451 596 P HA 0.501 nan 4.420 nan 0.000 0.278 596 P C -1.094 176.193 177.300 -0.021 0.000 1.258 596 P CA -0.692 62.407 63.100 -0.001 0.000 0.811 596 P CB 0.846 32.518 31.700 -0.047 0.000 1.063 597 N N -0.547 118.148 118.700 -0.008 0.000 2.571 597 N HA 0.201 4.941 4.740 -0.000 0.000 0.273 597 N C -1.015 174.471 175.510 -0.040 0.000 1.340 597 N CA -0.562 52.474 53.050 -0.024 0.000 0.789 597 N CB 1.637 40.204 38.487 0.133 0.000 1.514 597 N HN 0.231 nan 8.380 nan 0.000 0.499 598 D N -0.144 120.227 120.400 -0.047 0.000 2.593 598 D HA 0.124 4.764 4.640 -0.000 0.000 0.241 598 D C 0.570 177.104 176.300 0.390 0.000 1.257 598 D CA -0.190 53.858 54.000 0.080 0.000 0.828 598 D CB 1.042 41.748 40.800 -0.156 0.000 1.049 598 D HN 0.648 nan 8.370 nan 0.000 0.490 599 R N 0.347 121.054 120.500 0.344 0.000 3.682 599 R HA -0.374 3.966 4.340 -0.000 0.000 0.519 599 R C 0.992 177.285 176.300 -0.011 0.000 0.241 599 R CA 1.496 57.767 56.100 0.284 0.000 1.619 599 R CB -1.401 28.993 30.300 0.155 0.000 0.923 599 R HN 0.012 nan 8.270 nan 0.000 0.598 600 Q N 0.638 120.122 119.800 -0.525 0.000 2.437 600 Q HA 0.095 4.435 4.340 -0.000 0.000 0.210 600 Q C 1.832 177.536 176.000 -0.493 0.000 0.972 600 Q CA 1.749 57.080 55.803 -0.787 0.000 0.903 600 Q CB -0.251 27.900 28.738 -0.979 0.000 0.967 600 Q HN 0.458 nan 8.270 nan 0.000 0.486 601 F N 0.506 120.343 119.950 -0.188 0.000 2.323 601 F HA -0.246 4.281 4.527 -0.000 0.000 0.301 601 F C 1.908 177.640 175.800 -0.113 0.000 1.060 601 F CA 1.012 58.992 58.000 -0.034 0.000 1.398 601 F CB -0.459 38.598 39.000 0.094 0.000 1.075 601 F HN 0.338 nan 8.300 nan 0.000 0.540 602 C N -1.574 117.445 119.300 -0.469 0.000 2.562 602 C HA 0.232 4.692 4.460 -0.000 0.000 0.266 602 C C 0.992 175.787 174.990 -0.325 0.000 1.382 602 C CA -0.531 58.061 59.018 -0.709 0.000 1.742 602 C CB -1.621 25.156 27.740 -1.604 0.000 1.812 602 C HN 0.200 nan 8.230 nan 0.000 0.559 603 M N 2.948 122.400 119.600 -0.247 0.000 2.060 603 M HA 0.346 4.826 4.480 -0.000 0.000 0.342 603 M C -0.527 175.666 176.300 -0.179 0.000 1.031 603 M CA 0.216 55.408 55.300 -0.181 0.000 0.981 603 M CB 0.547 33.071 32.600 -0.126 0.000 1.376 603 M HN 0.179 nan 8.290 nan 0.000 0.397 604 N N 1.530 120.121 118.700 -0.182 0.000 2.307 604 N HA 0.195 4.934 4.740 -0.000 0.000 0.248 604 N C 0.121 175.436 175.510 -0.324 0.000 1.322 604 N CA -0.099 52.809 53.050 -0.236 0.000 0.861 604 N CB 1.393 39.826 38.487 -0.091 0.000 1.303 604 N HN 0.705 nan 8.380 nan 0.000 0.498 605 G N -0.250 108.321 108.800 -0.382 0.000 2.502 605 G HA2 0.485 4.445 3.960 -0.000 0.000 0.305 605 G HA3 0.485 4.445 3.960 -0.000 0.000 0.305 605 G C 0.820 175.288 174.900 -0.720 0.000 1.190 605 G CA -0.498 44.282 45.100 -0.533 0.000 0.933 605 G HN 0.115 nan 8.290 nan 0.000 0.503 606 L N -0.314 120.490 121.223 -0.699 0.000 2.446 606 L HA 0.162 4.502 4.340 -0.000 0.000 0.219 606 L C 0.684 176.957 176.870 -0.995 0.000 1.116 606 L CA 0.238 54.669 54.840 -0.682 0.000 0.844 606 L CB -0.104 41.700 42.059 -0.425 0.000 0.970 606 L HN 0.376 nan 8.230 nan 0.000 0.457 607 V N -5.065 114.147 119.914 -1.171 0.000 2.962 607 V HA 0.470 4.590 4.120 -0.000 0.000 0.313 607 V C -0.372 175.234 176.094 -0.814 0.000 1.099 607 V CA -1.219 60.494 62.300 -0.979 0.000 0.971 607 V CB 1.681 32.978 31.823 -0.876 0.000 1.028 607 V HN -0.132 nan 8.190 nan 0.000 0.430 608 F N 1.676 121.454 119.950 -0.287 0.000 2.444 608 F HA 0.531 5.058 4.527 -0.000 0.000 0.331 608 F C 1.973 177.682 175.800 -0.152 0.000 1.167 608 F CA 0.510 58.470 58.000 -0.068 0.000 1.262 608 F CB 1.252 40.256 39.000 0.006 0.000 1.196 608 F HN 0.818 nan 8.300 nan 0.000 0.583 609 A N 1.083 123.992 122.820 0.147 0.000 2.042 609 A HA -0.286 4.034 4.320 -0.000 0.000 0.222 609 A C 1.531 179.091 177.584 -0.041 0.000 1.167 609 A CA 2.148 54.214 52.037 0.047 0.000 0.649 609 A CB -1.117 17.950 19.000 0.112 0.000 0.809 609 A HN 0.849 nan 8.150 nan 0.000 0.457 610 D N -3.267 117.128 120.400 -0.008 0.000 2.340 610 D HA 0.202 4.842 4.640 -0.000 0.000 0.220 610 D C 0.606 176.886 176.300 -0.034 0.000 1.039 610 D CA -0.018 53.951 54.000 -0.053 0.000 0.866 610 D CB -0.059 40.713 40.800 -0.047 0.000 0.913 610 D HN 0.208 nan 8.370 nan 0.000 0.523 611 R N -1.000 119.473 120.500 -0.045 0.000 3.774 611 R HA -0.123 4.217 4.340 -0.000 0.000 0.320 611 R C -0.503 175.779 176.300 -0.030 0.000 1.175 611 R CA 1.138 57.193 56.100 -0.076 0.000 0.849 611 R CB -3.279 27.011 30.300 -0.017 0.000 1.365 611 R HN 0.566 nan 8.270 nan 0.000 0.502 612 T N -2.539 112.047 114.554 0.054 0.000 2.824 612 T HA 0.724 5.074 4.350 -0.000 0.000 0.280 612 T C -2.570 172.256 174.700 0.210 0.000 0.995 612 T CA -2.464 59.710 62.100 0.124 0.000 1.009 612 T CB 2.536 71.473 68.868 0.115 0.000 0.955 612 T HN -0.207 nan 8.240 nan 0.000 0.452 613 P HA 0.165 nan 4.420 nan 0.000 0.268 613 P C -0.155 177.188 177.300 0.072 0.000 1.204 613 P CA -0.094 62.995 63.100 -0.018 0.000 0.768 613 P CB 0.158 31.858 31.700 -0.001 0.000 0.842 614 H N 3.790 122.665 119.070 -0.326 0.000 2.505 614 H HA 0.132 4.688 4.556 -0.000 0.000 0.355 614 H C -1.170 174.057 175.328 -0.169 0.000 1.179 614 H CA -2.018 53.825 56.048 -0.341 0.000 1.343 614 H CB 0.707 30.230 29.762 -0.397 0.000 1.501 614 H HN 0.325 nan 8.280 nan 0.000 0.569 615 P HA -0.124 nan 4.420 nan 0.000 0.220 615 P C 1.166 178.462 177.300 -0.006 0.000 1.148 615 P CA 1.124 64.213 63.100 -0.018 0.000 0.803 615 P CB -0.016 31.664 31.700 -0.033 0.000 0.782 616 A N -0.033 122.785 122.820 -0.004 0.000 2.024 616 A HA -0.188 4.132 4.320 -0.000 0.000 0.220 616 A C 2.092 179.624 177.584 -0.087 0.000 1.164 616 A CA 1.322 53.323 52.037 -0.061 0.000 0.643 616 A CB -1.647 17.294 19.000 -0.099 0.000 0.806 616 A HN 0.186 nan 8.150 nan 0.000 0.451 617 L N -0.106 121.084 121.223 -0.056 0.000 2.127 617 L HA -0.141 4.199 4.340 -0.000 0.000 0.211 617 L C 2.351 179.253 176.870 0.053 0.000 1.089 617 L CA 2.654 57.489 54.840 -0.008 0.000 0.757 617 L CB -0.773 41.278 42.059 -0.012 0.000 0.899 617 L HN 0.387 nan 8.230 nan 0.000 0.434 618 T N -1.356 113.236 114.554 0.063 0.000 2.904 618 T HA -0.159 4.191 4.350 -0.000 0.000 0.267 618 T C 1.692 176.486 174.700 0.157 0.000 1.059 618 T CA 1.267 63.458 62.100 0.152 0.000 1.137 618 T CB -0.117 68.830 68.868 0.131 0.000 0.879 618 T HN 0.346 nan 8.240 nan 0.000 0.467 619 E N 1.678 121.915 120.200 0.062 0.000 2.077 619 E HA -0.019 4.331 4.350 -0.000 0.000 0.193 619 E C 2.268 178.872 176.600 0.008 0.000 0.989 619 E CA 1.256 57.696 56.400 0.066 0.000 0.800 619 E CB -0.524 29.186 29.700 0.016 0.000 0.746 619 E HN 0.428 nan 8.360 nan 0.000 0.452 620 A N 1.023 123.742 122.820 -0.169 0.000 1.902 620 A HA -0.245 4.075 4.320 -0.000 0.000 0.217 620 A C 2.172 179.647 177.584 -0.181 0.000 1.181 620 A CA 1.982 53.884 52.037 -0.224 0.000 0.623 620 A CB -0.652 18.203 19.000 -0.243 0.000 0.818 620 A HN 0.275 nan 8.150 nan 0.000 0.443 621 K N -1.312 119.050 120.400 -0.063 0.000 2.063 621 K HA -0.276 4.044 4.320 -0.000 0.000 0.208 621 K C 2.067 178.561 176.600 -0.176 0.000 1.048 621 K CA 1.943 58.198 56.287 -0.054 0.000 0.928 621 K CB -0.325 32.281 32.500 0.177 0.000 0.713 621 K HN 0.643 nan 8.250 nan 0.000 0.442 622 H N 0.469 119.346 119.070 -0.321 0.000 2.299 622 H HA -0.007 4.549 4.556 -0.000 0.000 0.302 622 H C 1.968 177.012 175.328 -0.474 0.000 1.078 622 H CA 1.726 57.398 56.048 -0.626 0.000 1.323 622 H CB -0.003 29.389 29.762 -0.616 0.000 1.381 622 H HN 0.206 nan 8.280 nan 0.000 0.498 623 Q N 0.336 119.840 119.800 -0.493 0.000 2.226 623 Q HA -0.119 4.220 4.340 -0.000 0.000 0.204 623 Q C 1.631 177.096 176.000 -0.892 0.000 0.975 623 Q CA 1.342 56.783 55.803 -0.602 0.000 0.866 623 Q CB -0.051 28.477 28.738 -0.350 0.000 0.915 623 Q HN 0.718 nan 8.270 nan 0.000 0.440 624 Q N 0.884 120.136 119.800 -0.913 0.000 2.320 624 Q HA 0.027 4.367 4.340 -0.000 0.000 0.201 624 Q C 0.181 175.629 176.000 -0.921 0.000 0.910 624 Q CA -0.267 54.851 55.803 -1.141 0.000 0.946 624 Q CB 0.192 28.287 28.738 -1.073 0.000 1.062 624 Q HN 0.425 nan 8.270 nan 0.000 0.503 625 Q N -0.534 118.867 119.800 -0.665 0.000 2.428 625 Q HA -0.031 4.309 4.340 -0.000 0.000 0.276 625 Q C -0.354 175.292 176.000 -0.591 0.000 1.059 625 Q CA 0.266 55.790 55.803 -0.465 0.000 0.923 625 Q CB 0.411 29.015 28.738 -0.223 0.000 1.283 625 Q HN 0.177 nan 8.270 nan 0.000 0.447 626 F N 0.367 120.069 119.950 -0.414 0.000 2.797 626 F HA 0.289 4.816 4.527 -0.000 0.000 0.302 626 F C -0.236 175.003 175.800 -0.935 0.000 1.130 626 F CA -0.064 57.463 58.000 -0.788 0.000 1.387 626 F CB 0.373 38.557 39.000 -1.360 0.000 1.107 626 F HN 0.347 nan 8.300 nan 0.000 0.577 627 F N 0.181 120.057 119.950 -0.123 0.000 2.520 627 F HA 0.481 5.008 4.527 -0.000 0.000 0.322 627 F C -0.095 175.390 175.800 -0.526 0.000 1.103 627 F CA -1.045 56.789 58.000 -0.277 0.000 0.926 627 F CB 1.347 40.197 39.000 -0.249 0.000 1.154 627 F HN -0.319 nan 8.300 nan 0.000 0.453 628 Q N 3.049 122.598 119.800 -0.417 0.000 2.377 628 Q HA 0.552 4.892 4.340 -0.000 0.000 0.271 628 Q C -1.457 174.198 176.000 -0.576 0.000 1.077 628 Q CA -0.704 54.850 55.803 -0.416 0.000 0.820 628 Q CB 3.152 31.793 28.738 -0.161 0.000 1.347 628 Q HN 0.552 nan 8.270 nan 0.000 0.444 629 F N 0.223 120.299 119.950 0.209 0.000 2.546 629 F HA 0.598 5.125 4.527 -0.000 0.000 0.320 629 F C 0.390 176.418 175.800 0.379 0.000 1.076 629 F CA -0.840 57.352 58.000 0.321 0.000 0.928 629 F CB 2.124 41.422 39.000 0.497 0.000 1.189 629 F HN 0.123 nan 8.300 nan 0.000 0.465 630 R N 1.732 122.538 120.500 0.510 0.000 2.686 630 R HA 0.655 4.995 4.340 -0.000 0.000 0.283 630 R C -2.007 174.361 176.300 0.113 0.000 0.978 630 R CA -1.192 55.109 56.100 0.335 0.000 0.897 630 R CB 2.688 33.090 30.300 0.170 0.000 1.192 630 R HN 0.591 nan 8.270 nan 0.000 0.457 631 L N 1.342 122.502 121.223 -0.105 0.000 2.325 631 L HA 0.474 4.814 4.340 -0.000 0.000 0.281 631 L C -1.025 175.688 176.870 -0.262 0.000 1.004 631 L CA 0.170 54.724 54.840 -0.476 0.000 0.823 631 L CB 1.959 43.281 42.059 -1.229 0.000 1.236 631 L HN 0.458 nan 8.230 nan 0.000 0.415 632 S N 3.714 119.290 115.700 -0.207 0.000 2.774 632 S HA 0.688 5.158 4.470 -0.000 0.000 0.297 632 S C 0.407 174.922 174.600 -0.142 0.000 1.143 632 S CA 0.206 58.325 58.200 -0.135 0.000 1.090 632 S CB 0.379 63.534 63.200 -0.075 0.000 1.019 632 S HN 1.379 nan 8.310 nan 0.000 0.482 633 G N 4.198 112.912 108.800 -0.143 0.000 2.601 633 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.306 633 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.306 633 G C 0.389 175.187 174.900 -0.170 0.000 1.172 633 G CA 0.566 45.587 45.100 -0.132 0.000 0.966 633 G HN 0.623 nan 8.290 nan 0.000 0.542 634 Q N 1.128 120.834 119.800 -0.157 0.000 2.194 634 Q HA 0.214 4.554 4.340 -0.000 0.000 0.214 634 Q C 0.058 175.936 176.000 -0.203 0.000 0.838 634 Q CA 0.638 56.329 55.803 -0.187 0.000 0.972 634 Q CB 1.060 29.707 28.738 -0.151 0.000 1.131 634 Q HN 0.554 nan 8.270 nan 0.000 0.498 635 T N 1.191 115.638 114.554 -0.178 0.000 2.767 635 T HA 0.517 4.867 4.350 -0.000 0.000 0.284 635 T C 0.135 174.735 174.700 -0.166 0.000 0.973 635 T CA -0.289 61.722 62.100 -0.148 0.000 0.996 635 T CB 1.401 70.213 68.868 -0.094 0.000 0.927 635 T HN 0.020 nan 8.240 nan 0.000 0.456 636 I N 2.605 123.099 120.570 -0.128 0.000 2.359 636 I HA 0.311 4.481 4.170 -0.000 0.000 0.294 636 I C 0.478 176.626 176.117 0.051 0.000 0.987 636 I CA -0.611 60.647 61.300 -0.070 0.000 1.225 636 I CB 1.427 39.417 38.000 -0.017 0.000 1.366 636 I HN 0.615 nan 8.210 nan 0.000 0.466 637 E N 6.580 126.840 120.200 0.100 0.000 2.133 637 E HA 0.434 4.784 4.350 -0.000 0.000 0.274 637 E C -1.540 175.167 176.600 0.178 0.000 0.930 637 E CA -0.600 55.869 56.400 0.114 0.000 0.770 637 E CB 1.575 31.320 29.700 0.075 0.000 1.104 637 E HN 0.339 nan 8.360 nan 0.000 0.403 638 V N 4.079 124.079 119.914 0.143 0.000 2.427 638 V HA 0.347 4.467 4.120 -0.000 0.000 0.286 638 V C -0.001 176.114 176.094 0.035 0.000 1.034 638 V CA -0.488 61.858 62.300 0.077 0.000 0.893 638 V CB 1.769 33.662 31.823 0.117 0.000 0.982 638 V HN 0.730 nan 8.190 nan 0.000 0.452 639 T N 3.142 117.676 114.554 -0.033 0.000 2.841 639 T HA 0.385 4.735 4.350 -0.000 0.000 0.283 639 T C -0.232 174.476 174.700 0.014 0.000 1.000 639 T CA -0.321 61.777 62.100 -0.003 0.000 0.977 639 T CB 1.633 70.478 68.868 -0.038 0.000 0.979 639 T HN 0.688 nan 8.240 nan 0.000 0.446 640 S N 1.608 117.327 115.700 0.032 0.000 2.508 640 S HA 0.282 4.752 4.470 -0.000 0.000 0.284 640 S C 0.503 175.008 174.600 -0.159 0.000 1.192 640 S CA -0.614 57.554 58.200 -0.054 0.000 1.070 640 S CB 0.646 63.891 63.200 0.075 0.000 1.004 640 S HN 0.710 nan 8.310 nan 0.000 0.493 641 E N 3.043 123.052 120.200 -0.319 0.000 2.496 641 E HA 0.118 4.468 4.350 -0.000 0.000 0.200 641 E C -0.967 175.485 176.600 -0.247 0.000 1.016 641 E CA -0.098 56.153 56.400 -0.248 0.000 0.962 641 E CB 0.349 29.894 29.700 -0.260 0.000 1.071 641 E HN 0.659 nan 8.360 nan 0.000 0.457 642 Y N 0.354 120.552 120.300 -0.171 0.000 2.299 642 Y HA 0.111 4.661 4.550 -0.000 0.000 0.326 642 Y C 1.356 177.099 175.900 -0.262 0.000 1.164 642 Y CA -0.275 57.697 58.100 -0.212 0.000 1.234 642 Y CB 0.989 39.301 38.460 -0.246 0.000 1.219 642 Y HN -0.003 nan 8.280 nan 0.000 0.497 643 L N 1.730 122.804 121.223 -0.249 0.000 2.463 643 L HA 0.060 4.400 4.340 -0.000 0.000 0.219 643 L C 0.601 176.998 176.870 -0.789 0.000 1.088 643 L CA 0.685 55.126 54.840 -0.666 0.000 0.849 643 L CB 0.051 41.335 42.059 -1.293 0.000 1.012 643 L HN 0.663 nan 8.230 nan 0.000 0.468 644 F N -0.385 119.584 119.950 0.031 0.000 2.699 644 F HA 0.199 4.726 4.527 -0.000 0.000 0.295 644 F C 1.289 177.071 175.800 -0.031 0.000 1.052 644 F CA -0.801 57.189 58.000 -0.017 0.000 1.239 644 F CB 0.332 39.299 39.000 -0.056 0.000 1.018 644 F HN -0.121 nan 8.300 nan 0.000 0.627 645 R N 0.091 120.625 120.500 0.056 0.000 2.573 645 R HA 0.463 4.803 4.340 -0.000 0.000 0.272 645 R C -0.991 175.299 176.300 -0.017 0.000 1.009 645 R CA -0.672 55.405 56.100 -0.039 0.000 1.059 645 R CB 0.784 30.960 30.300 -0.207 0.000 1.112 645 R HN 0.073 nan 8.270 nan 0.000 0.517 646 H N 0.393 119.436 119.070 -0.045 0.000 2.505 646 H HA 0.160 4.716 4.556 -0.000 0.000 0.351 646 H C -0.262 175.076 175.328 0.016 0.000 1.151 646 H CA -0.203 55.853 56.048 0.014 0.000 1.339 646 H CB 1.263 31.041 29.762 0.026 0.000 1.483 646 H HN 0.760 nan 8.280 nan 0.000 0.558 647 S N 2.463 118.018 115.700 -0.241 0.000 3.829 647 S HA -0.015 4.455 4.470 -0.000 0.000 0.250 647 S C -0.084 174.608 174.600 0.154 0.000 1.263 647 S CA -0.236 57.997 58.200 0.055 0.000 0.955 647 S CB -0.662 62.582 63.200 0.072 0.000 1.611 647 S HN 0.727 nan 8.310 nan 0.000 0.483 648 D N 0.716 121.217 120.400 0.169 0.000 2.427 648 D HA 0.110 4.750 4.640 -0.000 0.000 0.224 648 D C 0.225 176.585 176.300 0.100 0.000 1.157 648 D CA -0.459 53.644 54.000 0.171 0.000 0.828 648 D CB -0.247 40.649 40.800 0.160 0.000 0.974 648 D HN 0.485 nan 8.370 nan 0.000 0.498 649 N N 0.170 118.928 118.700 0.096 0.000 2.605 649 N HA 0.133 4.873 4.740 -0.000 0.000 0.265 649 N C -1.629 173.938 175.510 0.095 0.000 1.625 649 N CA -0.151 52.945 53.050 0.077 0.000 0.862 649 N CB 0.278 38.798 38.487 0.055 0.000 1.415 649 N HN -0.024 nan 8.380 nan 0.000 0.513 650 E N 0.087 120.338 120.200 0.085 0.000 2.278 650 E HA 0.462 4.811 4.350 -0.000 0.000 0.272 650 E C -1.717 174.914 176.600 0.052 0.000 0.890 650 E CA -0.597 55.840 56.400 0.061 0.000 0.770 650 E CB 1.956 31.660 29.700 0.006 0.000 1.212 650 E HN 0.085 nan 8.360 nan 0.000 0.415 651 L N 3.128 124.389 121.223 0.064 0.000 2.362 651 L HA 0.555 4.894 4.340 -0.000 0.000 0.275 651 L C -1.509 175.447 176.870 0.143 0.000 0.998 651 L CA -0.925 53.984 54.840 0.117 0.000 0.820 651 L CB 1.633 43.788 42.059 0.159 0.000 1.270 651 L HN 0.594 nan 8.230 nan 0.000 0.415 652 L N 4.878 126.221 121.223 0.200 0.000 2.265 652 L HA 0.422 4.762 4.340 -0.000 0.000 0.289 652 L C -0.599 176.499 176.870 0.380 0.000 1.033 652 L CA 0.140 55.128 54.840 0.247 0.000 0.814 652 L CB 0.389 42.586 42.059 0.231 0.000 1.203 652 L HN 0.547 nan 8.230 nan 0.000 0.423 653 H N 5.934 125.068 119.070 0.107 0.000 2.488 653 H HA 0.346 4.902 4.556 -0.000 0.000 0.322 653 H C -1.084 174.325 175.328 0.136 0.000 1.078 653 H CA -0.713 55.359 56.048 0.041 0.000 1.260 653 H CB 0.927 30.680 29.762 -0.015 0.000 1.425 653 H HN 0.702 nan 8.280 nan 0.000 0.471 654 W N 3.667 125.032 121.300 0.109 0.000 2.850 654 W HA 0.593 5.253 4.660 -0.000 0.000 0.349 654 W C -1.313 175.248 176.519 0.070 0.000 1.133 654 W CA -1.452 55.950 57.345 0.095 0.000 1.117 654 W CB 1.570 31.079 29.460 0.081 0.000 1.442 654 W HN 0.560 nan 8.180 nan 0.000 0.575 655 M N 1.468 121.421 119.600 0.588 0.000 2.389 655 M HA 0.519 4.999 4.480 -0.000 0.000 0.291 655 M C -2.669 173.872 176.300 0.402 0.000 1.128 655 M CA -0.464 55.040 55.300 0.341 0.000 0.942 655 M CB 1.856 34.489 32.600 0.055 0.000 1.783 655 M HN 0.129 nan 8.290 nan 0.000 0.501 656 V N 3.159 123.293 119.914 0.367 0.000 2.459 656 V HA 1.024 5.144 4.120 -0.000 0.000 0.295 656 V C -0.176 176.037 176.094 0.199 0.000 1.029 656 V CA 0.007 62.484 62.300 0.295 0.000 0.874 656 V CB 1.234 33.231 31.823 0.290 0.000 0.985 656 V HN 1.085 nan 8.190 nan 0.000 0.438 657 A N 4.485 127.432 122.820 0.212 0.000 2.515 657 A HA 0.879 5.199 4.320 -0.000 0.000 0.298 657 A C -1.526 176.190 177.584 0.220 0.000 1.059 657 A CA -0.592 51.540 52.037 0.159 0.000 0.698 657 A CB 1.768 20.821 19.000 0.089 0.000 1.289 657 A HN 0.870 nan 8.150 nan 0.000 0.404 658 L N 1.491 122.809 121.223 0.158 0.000 2.295 658 L HA 0.581 4.921 4.340 -0.000 0.000 0.281 658 L C -0.632 176.343 176.870 0.174 0.000 1.018 658 L CA 0.264 55.212 54.840 0.180 0.000 0.841 658 L CB 0.419 42.547 42.059 0.116 0.000 1.218 658 L HN 0.760 nan 8.230 nan 0.000 0.424 659 D N 4.475 125.046 120.400 0.285 0.000 2.751 659 D HA -0.198 4.442 4.640 -0.000 0.000 0.233 659 D C 1.115 177.439 176.300 0.041 0.000 1.149 659 D CA 1.625 55.772 54.000 0.245 0.000 0.682 659 D CB -1.114 39.801 40.800 0.192 0.000 1.068 659 D HN 1.168 nan 8.370 nan 0.000 0.429 660 G N -1.379 107.403 108.800 -0.030 0.000 2.234 660 G HA2 -0.350 3.610 3.960 -0.000 0.000 0.235 660 G HA3 -0.350 3.610 3.960 -0.000 0.000 0.235 660 G C 0.211 175.032 174.900 -0.131 0.000 0.997 660 G CA 0.377 45.354 45.100 -0.205 0.000 0.623 660 G HN 0.449 nan 8.290 nan 0.000 0.514 661 K N 1.985 122.360 120.400 -0.040 0.000 2.211 661 K HA 0.588 4.908 4.320 -0.000 0.000 0.275 661 K C -2.683 173.917 176.600 0.000 0.000 1.024 661 K CA -2.022 54.247 56.287 -0.030 0.000 0.887 661 K CB 1.923 34.417 32.500 -0.010 0.000 1.084 661 K HN 0.065 nan 8.250 nan 0.000 0.463 662 P HA 0.151 nan 4.420 nan 0.000 0.281 662 P C -0.259 177.049 177.300 0.013 0.000 1.252 662 P CA -0.215 62.882 63.100 -0.005 0.000 0.778 662 P CB 0.827 32.501 31.700 -0.043 0.000 0.895 663 L N 1.345 122.596 121.223 0.047 0.000 2.685 663 L HA 0.536 4.875 4.340 -0.000 0.000 0.235 663 L C 0.812 177.720 176.870 0.063 0.000 1.070 663 L CA 0.202 55.075 54.840 0.055 0.000 0.888 663 L CB 0.214 42.321 42.059 0.081 0.000 1.203 663 L HN 0.346 nan 8.230 nan 0.000 0.499 664 A N -0.144 122.726 122.820 0.083 0.000 2.577 664 A HA 0.718 5.038 4.320 -0.000 0.000 0.297 664 A C -0.965 176.558 177.584 -0.102 0.000 1.060 664 A CA -0.340 51.744 52.037 0.078 0.000 0.697 664 A CB 1.493 20.665 19.000 0.287 0.000 1.281 664 A HN -0.001 nan 8.150 nan 0.000 0.402 665 S N -0.284 115.129 115.700 -0.478 0.000 2.595 665 S HA 0.985 5.455 4.470 -0.000 0.000 0.281 665 S C -0.077 173.660 174.600 -1.439 0.000 1.117 665 S CA -0.318 57.319 58.200 -0.938 0.000 0.873 665 S CB 2.015 64.920 63.200 -0.492 0.000 1.108 665 S HN 2.157 nan 8.310 nan 0.000 0.477 666 G N 0.033 107.702 108.800 -1.885 0.000 2.623 666 G HA2 0.633 4.593 3.960 -0.000 0.000 0.290 666 G HA3 0.633 4.593 3.960 -0.000 0.000 0.290 666 G C -2.223 172.159 174.900 -0.862 0.000 1.437 666 G CA -0.653 43.666 45.100 -1.300 0.000 0.798 666 G HN 0.608 nan 8.290 nan 0.000 0.488 667 E N -1.008 119.008 120.200 -0.306 0.000 2.292 667 E HA 0.626 4.976 4.350 -0.000 0.000 0.272 667 E C -1.343 175.306 176.600 0.082 0.000 0.881 667 E CA -0.649 55.664 56.400 -0.145 0.000 0.754 667 E CB 3.067 32.621 29.700 -0.242 0.000 1.201 667 E HN 0.348 nan 8.360 nan 0.000 0.425 668 V N 3.808 123.821 119.914 0.164 0.000 2.808 668 V HA 0.463 4.583 4.120 -0.000 0.000 0.308 668 V C -2.548 173.632 176.094 0.144 0.000 1.099 668 V CA -1.778 60.619 62.300 0.161 0.000 0.920 668 V CB 2.213 34.152 31.823 0.194 0.000 1.014 668 V HN 0.569 nan 8.190 nan 0.000 0.425 669 P HA 0.427 nan 4.420 nan 0.000 0.290 669 P C -0.882 176.470 177.300 0.087 0.000 1.276 669 P CA -0.375 62.783 63.100 0.097 0.000 0.808 669 P CB 1.130 32.882 31.700 0.086 0.000 0.966 670 L N 2.741 124.001 121.223 0.062 0.000 2.371 670 L HA 0.301 4.641 4.340 -0.000 0.000 0.272 670 L C 0.439 177.348 176.870 0.065 0.000 1.124 670 L CA 0.371 55.230 54.840 0.032 0.000 0.816 670 L CB 0.398 42.415 42.059 -0.071 0.000 1.129 670 L HN 0.351 nan 8.230 nan 0.000 0.448 671 D N 2.271 122.710 120.400 0.065 0.000 2.517 671 D HA 0.355 4.995 4.640 -0.000 0.000 0.263 671 D C -1.267 175.025 176.300 -0.014 0.000 1.233 671 D CA -0.089 53.985 54.000 0.123 0.000 0.849 671 D CB 0.904 41.822 40.800 0.197 0.000 1.261 671 D HN 0.084 nan 8.370 nan 0.000 0.516 672 V N 0.565 120.325 119.914 -0.256 0.000 2.540 672 V HA 0.901 5.021 4.120 -0.000 0.000 0.302 672 V C 0.645 176.470 176.094 -0.449 0.000 1.035 672 V CA -1.362 60.830 62.300 -0.181 0.000 0.873 672 V CB 1.423 33.273 31.823 0.045 0.000 0.992 672 V HN 0.420 nan 8.190 nan 0.000 0.428 673 A N 5.651 128.380 122.820 -0.152 0.000 2.351 673 A HA 0.766 5.086 4.320 -0.000 0.000 0.257 673 A C -2.341 175.255 177.584 0.020 0.000 1.087 673 A CA -1.623 50.424 52.037 0.017 0.000 0.798 673 A CB -0.067 19.012 19.000 0.132 0.000 1.033 673 A HN 0.719 nan 8.150 nan 0.000 0.488 674 P HA 0.030 nan 4.420 nan 0.000 0.261 674 P C -0.486 176.812 177.300 -0.002 0.000 1.183 674 P CA 0.662 63.778 63.100 0.026 0.000 0.761 674 P CB 0.362 32.061 31.700 -0.002 0.000 0.785 675 Q N -0.761 119.027 119.800 -0.020 0.000 2.416 675 Q HA -0.161 4.179 4.340 -0.000 0.000 0.235 675 Q C 0.690 176.686 176.000 -0.006 0.000 0.773 675 Q CA 1.300 57.084 55.803 -0.031 0.000 1.286 675 Q CB -2.213 26.494 28.738 -0.051 0.000 1.556 675 Q HN 0.762 nan 8.270 nan 0.000 0.650 676 G N 0.267 109.077 108.800 0.015 0.000 2.705 676 G HA2 0.641 4.601 3.960 -0.000 0.000 0.299 676 G HA3 0.641 4.601 3.960 -0.000 0.000 0.299 676 G C -0.638 174.283 174.900 0.035 0.000 1.315 676 G CA -0.626 44.490 45.100 0.027 0.000 1.045 676 G HN -0.036 nan 8.290 nan 0.000 0.517 677 K N -0.541 119.883 120.400 0.040 0.000 2.328 677 K HA 0.499 4.819 4.320 -0.000 0.000 0.246 677 K C -0.911 175.722 176.600 0.054 0.000 0.955 677 K CA -0.566 55.748 56.287 0.045 0.000 0.817 677 K CB 2.407 34.928 32.500 0.036 0.000 1.208 677 K HN 0.511 nan 8.250 nan 0.000 0.432 678 Q N 3.115 122.952 119.800 0.063 0.000 2.289 678 Q HA 0.359 4.699 4.340 -0.000 0.000 0.270 678 Q C -1.665 174.376 176.000 0.067 0.000 1.038 678 Q CA -0.629 55.214 55.803 0.066 0.000 0.812 678 Q CB 1.355 30.137 28.738 0.072 0.000 1.300 678 Q HN 0.534 nan 8.270 nan 0.000 0.427 679 L N 5.219 126.474 121.223 0.052 0.000 2.282 679 L HA 0.546 4.886 4.340 -0.000 0.000 0.288 679 L C -0.438 176.453 176.870 0.034 0.000 1.033 679 L CA -0.647 54.216 54.840 0.038 0.000 0.807 679 L CB 1.238 43.309 42.059 0.021 0.000 1.209 679 L HN 0.605 nan 8.230 nan 0.000 0.423 680 I N 3.173 123.758 120.570 0.025 0.000 2.382 680 I HA 0.228 4.398 4.170 -0.000 0.000 0.286 680 I C -0.152 175.936 176.117 -0.049 0.000 1.002 680 I CA -0.680 60.625 61.300 0.008 0.000 1.135 680 I CB 1.899 39.921 38.000 0.037 0.000 1.288 680 I HN 0.485 nan 8.210 nan 0.000 0.448 681 E N 6.792 126.964 120.200 -0.046 0.000 2.180 681 E HA 0.356 4.706 4.350 -0.000 0.000 0.283 681 E C -0.590 175.937 176.600 -0.122 0.000 1.061 681 E CA -0.290 56.065 56.400 -0.075 0.000 0.861 681 E CB 1.294 30.969 29.700 -0.041 0.000 1.056 681 E HN 0.474 nan 8.360 nan 0.000 0.407 682 L N 6.129 127.236 121.223 -0.193 0.000 2.326 682 L HA 0.296 4.636 4.340 -0.000 0.000 0.278 682 L C -1.775 174.982 176.870 -0.189 0.000 1.092 682 L CA -1.824 52.838 54.840 -0.296 0.000 0.810 682 L CB 1.025 42.812 42.059 -0.453 0.000 1.153 682 L HN 0.245 nan 8.230 nan 0.000 0.439 683 P HA -0.021 nan 4.420 nan 0.000 0.270 683 P C -0.473 176.783 177.300 -0.074 0.000 1.223 683 P CA -0.295 62.774 63.100 -0.051 0.000 0.785 683 P CB 0.509 32.238 31.700 0.047 0.000 0.923 684 E N 0.817 120.997 120.200 -0.033 0.000 2.480 684 E HA 0.039 4.389 4.350 -0.000 0.000 0.258 684 E C -0.251 176.338 176.600 -0.017 0.000 0.984 684 E CA 0.014 56.394 56.400 -0.034 0.000 0.930 684 E CB 0.144 29.833 29.700 -0.019 0.000 0.936 684 E HN 0.325 nan 8.360 nan 0.000 0.466 685 L N 6.449 127.649 121.223 -0.039 0.000 2.350 685 L HA 0.303 4.643 4.340 -0.000 0.000 0.275 685 L C -1.868 175.009 176.870 0.012 0.000 1.099 685 L CA -2.112 52.719 54.840 -0.014 0.000 0.808 685 L CB 0.529 42.557 42.059 -0.050 0.000 1.149 685 L HN 0.424 nan 8.230 nan 0.000 0.442 686 P HA 0.054 nan 4.420 nan 0.000 0.268 686 P C -1.140 176.177 177.300 0.028 0.000 1.205 686 P CA -0.195 62.930 63.100 0.042 0.000 0.771 686 P CB 0.529 32.267 31.700 0.064 0.000 0.858 687 Q N 2.216 122.029 119.800 0.020 0.000 2.965 687 Q HA 0.265 4.605 4.340 -0.000 0.000 0.288 687 Q C -2.070 173.940 176.000 0.017 0.000 0.974 687 Q CA -1.505 54.306 55.803 0.013 0.000 0.849 687 Q CB 0.411 29.151 28.738 0.002 0.000 1.280 687 Q HN 0.424 nan 8.270 nan 0.000 0.441 688 P HA -0.044 nan 4.420 nan 0.000 0.267 688 P C -0.013 177.300 177.300 0.022 0.000 1.201 688 P CA 0.150 63.266 63.100 0.027 0.000 0.775 688 P CB 1.239 32.961 31.700 0.037 0.000 0.854 689 E N -0.120 120.093 120.200 0.021 0.000 2.201 689 E HA 0.024 4.374 4.350 -0.000 0.000 0.193 689 E C 0.470 177.084 176.600 0.023 0.000 0.957 689 E CA 0.379 56.791 56.400 0.019 0.000 0.858 689 E CB -0.321 29.389 29.700 0.017 0.000 0.816 689 E HN 0.525 nan 8.360 nan 0.000 0.475 690 S N 1.630 117.346 115.700 0.027 0.000 2.550 690 S HA 0.180 4.650 4.470 -0.000 0.000 0.285 690 S C 0.409 175.032 174.600 0.038 0.000 1.326 690 S CA 0.017 58.236 58.200 0.033 0.000 1.037 690 S CB 0.664 63.885 63.200 0.035 0.000 0.838 690 S HN 0.275 nan 8.310 nan 0.000 0.519 691 A N 1.573 124.418 122.820 0.042 0.000 2.322 691 A HA 0.792 5.112 4.320 -0.000 0.000 0.269 691 A C 0.888 178.510 177.584 0.062 0.000 1.094 691 A CA 0.210 52.275 52.037 0.047 0.000 0.807 691 A CB -0.051 18.978 19.000 0.048 0.000 1.047 691 A HN 1.882 nan 8.150 nan 0.000 0.487 692 G N -0.142 108.697 108.800 0.065 0.000 2.359 692 G HA2 0.304 4.264 3.960 -0.000 0.000 0.303 692 G HA3 0.304 4.264 3.960 -0.000 0.000 0.303 692 G C -1.284 173.664 174.900 0.079 0.000 1.293 692 G CA -0.855 44.302 45.100 0.095 0.000 0.964 692 G HN 0.859 nan 8.290 nan 0.000 0.531 693 Q N -0.632 119.248 119.800 0.134 0.000 2.307 693 Q HA 0.620 4.960 4.340 -0.000 0.000 0.262 693 Q C -0.801 175.291 176.000 0.153 0.000 0.961 693 Q CA -0.761 55.083 55.803 0.069 0.000 0.882 693 Q CB 2.352 31.162 28.738 0.120 0.000 1.264 693 Q HN 0.513 nan 8.270 nan 0.000 0.446 694 L N 3.517 124.722 121.223 -0.030 0.000 2.275 694 L HA 0.499 4.839 4.340 -0.000 0.000 0.288 694 L C -1.788 175.046 176.870 -0.061 0.000 1.046 694 L CA 0.057 54.930 54.840 0.055 0.000 0.805 694 L CB 0.498 42.561 42.059 0.006 0.000 1.193 694 L HN 0.569 nan 8.230 nan 0.000 0.426 695 W N 5.445 126.812 121.300 0.111 0.000 2.915 695 W HA 0.565 5.225 4.660 -0.000 0.000 0.337 695 W C -1.117 175.510 176.519 0.179 0.000 1.102 695 W CA -0.679 56.755 57.345 0.148 0.000 1.224 695 W CB 1.727 31.299 29.460 0.188 0.000 1.416 695 W HN 0.292 nan 8.180 nan 0.000 0.503 696 L N 2.986 124.506 121.223 0.496 0.000 2.307 696 L HA 0.791 5.131 4.340 -0.000 0.000 0.284 696 L C -0.370 176.804 176.870 0.507 0.000 1.023 696 L CA 0.176 55.282 54.840 0.443 0.000 0.810 696 L CB 1.353 43.619 42.059 0.345 0.000 1.231 696 L HN 0.340 nan 8.230 nan 0.000 0.423 697 T N 4.962 119.756 114.554 0.401 0.000 2.848 697 T HA 0.663 5.013 4.350 -0.000 0.000 0.285 697 T C -0.831 174.046 174.700 0.294 0.000 0.995 697 T CA -0.430 61.852 62.100 0.303 0.000 0.970 697 T CB 1.576 70.561 68.868 0.193 0.000 0.976 697 T HN 0.601 nan 8.240 nan 0.000 0.441 698 V N 1.686 121.726 119.914 0.209 0.000 2.715 698 V HA 0.855 4.975 4.120 -0.000 0.000 0.310 698 V C -0.631 175.520 176.094 0.094 0.000 1.054 698 V CA -1.127 61.266 62.300 0.154 0.000 0.928 698 V CB 1.858 33.696 31.823 0.025 0.000 1.007 698 V HN 0.795 nan 8.190 nan 0.000 0.437 699 R N 2.101 122.684 120.500 0.137 0.000 2.673 699 R HA 0.802 5.142 4.340 -0.000 0.000 0.281 699 R C -1.629 174.750 176.300 0.131 0.000 0.991 699 R CA -0.666 55.522 56.100 0.148 0.000 0.896 699 R CB 2.684 33.018 30.300 0.056 0.000 1.201 699 R HN 0.712 nan 8.270 nan 0.000 0.457 700 V N 3.723 123.746 119.914 0.182 0.000 2.398 700 V HA 0.443 4.563 4.120 -0.000 0.000 0.286 700 V C -0.426 175.712 176.094 0.073 0.000 1.026 700 V CA -0.619 61.762 62.300 0.134 0.000 0.868 700 V CB 1.718 33.647 31.823 0.177 0.000 0.982 700 V HN 0.437 nan 8.190 nan 0.000 0.443 701 V N 4.734 124.640 119.914 -0.013 0.000 2.628 701 V HA 0.444 4.564 4.120 -0.000 0.000 0.306 701 V C -0.328 175.789 176.094 0.040 0.000 1.045 701 V CA -0.815 61.460 62.300 -0.042 0.000 0.905 701 V CB 1.983 33.671 31.823 -0.224 0.000 0.997 701 V HN 0.872 nan 8.190 nan 0.000 0.436 702 Q N 4.521 124.371 119.800 0.082 0.000 2.421 702 Q HA 0.272 4.612 4.340 -0.000 0.000 0.242 702 Q C -1.782 174.244 176.000 0.043 0.000 1.024 702 Q CA -1.785 54.073 55.803 0.091 0.000 0.891 702 Q CB 1.875 30.689 28.738 0.127 0.000 1.222 702 Q HN 0.488 nan 8.270 nan 0.000 0.483 703 P HA -0.197 nan 4.420 nan 0.000 0.215 703 P C -0.581 176.724 177.300 0.009 0.000 1.157 703 P CA 1.350 64.467 63.100 0.029 0.000 0.868 703 P CB 0.319 32.044 31.700 0.041 0.000 0.788 704 N N -0.874 117.824 118.700 -0.003 0.000 2.456 704 N HA 0.459 5.199 4.740 -0.000 0.000 0.296 704 N C -0.359 175.107 175.510 -0.074 0.000 1.102 704 N CA -0.709 52.324 53.050 -0.028 0.000 0.924 704 N CB 0.872 39.345 38.487 -0.023 0.000 1.186 704 N HN -0.020 nan 8.380 nan 0.000 0.492 705 A N 0.490 123.257 122.820 -0.088 0.000 2.346 705 A HA 0.544 4.864 4.320 -0.000 0.000 0.252 705 A C 0.547 178.009 177.584 -0.204 0.000 1.089 705 A CA -0.073 51.873 52.037 -0.152 0.000 0.797 705 A CB 0.016 18.951 19.000 -0.110 0.000 1.047 705 A HN 0.737 nan 8.150 nan 0.000 0.494 706 T N -3.513 110.835 114.554 -0.344 0.000 2.742 706 T HA 0.627 4.977 4.350 -0.000 0.000 0.282 706 T C 0.852 175.360 174.700 -0.320 0.000 1.025 706 T CA 0.071 61.936 62.100 -0.391 0.000 1.020 706 T CB 1.078 69.450 68.868 -0.826 0.000 1.317 706 T HN 1.353 nan 8.240 nan 0.000 0.538 707 A N -0.216 122.490 122.820 -0.189 0.000 2.119 707 A HA 0.161 4.481 4.320 -0.000 0.000 0.217 707 A C 1.572 179.261 177.584 0.175 0.000 1.153 707 A CA 0.786 52.856 52.037 0.054 0.000 0.692 707 A CB -0.805 18.318 19.000 0.205 0.000 0.799 707 A HN 0.897 nan 8.150 nan 0.000 0.458 708 W N -0.762 120.589 121.300 0.085 0.000 2.714 708 W HA 0.412 5.072 4.660 -0.000 0.000 0.353 708 W C -0.132 176.350 176.519 -0.060 0.000 0.999 708 W CA 0.458 57.817 57.345 0.023 0.000 1.629 708 W CB -1.003 28.465 29.460 0.014 0.000 1.106 708 W HN 0.395 nan 8.180 nan 0.000 0.545 709 S N 0.429 115.731 115.700 -0.664 0.000 2.556 709 S HA 0.443 4.913 4.470 -0.000 0.000 0.271 709 S C -0.513 173.856 174.600 -0.385 0.000 1.135 709 S CA -0.703 57.118 58.200 -0.631 0.000 0.858 709 S CB 2.767 65.213 63.200 -1.256 0.000 1.114 709 S HN 0.101 nan 8.310 nan 0.000 0.468 710 E N 0.876 120.959 120.200 -0.195 0.000 2.322 710 E HA 0.572 4.922 4.350 -0.000 0.000 0.257 710 E C 0.252 176.814 176.600 -0.065 0.000 1.155 710 E CA -0.886 55.459 56.400 -0.092 0.000 0.936 710 E CB 0.881 30.574 29.700 -0.012 0.000 1.130 710 E HN 0.874 nan 8.360 nan 0.000 0.465 711 A N -0.202 122.596 122.820 -0.037 0.000 2.425 711 A HA 0.451 4.770 4.320 -0.000 0.000 0.249 711 A C 1.034 178.629 177.584 0.017 0.000 1.084 711 A CA 0.537 52.564 52.037 -0.017 0.000 0.781 711 A CB -0.235 18.756 19.000 -0.014 0.000 1.019 711 A HN 0.779 nan 8.150 nan 0.000 0.490 712 G N 0.338 109.153 108.800 0.026 0.000 2.136 712 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.242 712 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.242 712 G C 0.141 175.069 174.900 0.047 0.000 0.989 712 G CA 0.682 45.794 45.100 0.019 0.000 0.682 712 G HN 1.611 nan 8.290 nan 0.000 0.522 713 H N 0.450 119.511 119.070 -0.014 0.000 2.764 713 H HA 0.494 5.050 4.556 -0.000 0.000 0.341 713 H C 0.506 175.877 175.328 0.072 0.000 1.072 713 H CA -0.430 55.636 56.048 0.030 0.000 1.444 713 H CB 0.314 30.084 29.762 0.014 0.000 1.458 713 H HN 0.050 nan 8.280 nan 0.000 0.572 714 I N 4.762 125.062 120.570 -0.450 0.000 2.325 714 I HA 0.012 4.182 4.170 -0.000 0.000 0.291 714 I C 1.061 177.061 176.117 -0.196 0.000 1.019 714 I CA 0.153 61.325 61.300 -0.212 0.000 1.302 714 I CB 0.851 38.766 38.000 -0.143 0.000 1.401 714 I HN 0.839 nan 8.210 nan 0.000 0.485 715 S N 4.052 119.849 115.700 0.163 0.000 2.526 715 S HA 0.624 5.094 4.470 -0.000 0.000 0.220 715 S C 0.499 175.367 174.600 0.446 0.000 1.017 715 S CA 0.061 58.484 58.200 0.372 0.000 0.930 715 S CB 0.722 64.249 63.200 0.546 0.000 0.856 715 S HN 0.720 nan 8.310 nan 0.000 0.497 716 A N 0.552 123.671 122.820 0.499 0.000 2.608 716 A HA 0.699 5.019 4.320 -0.000 0.000 0.292 716 A C -1.787 176.176 177.584 0.632 0.000 1.066 716 A CA -0.915 51.407 52.037 0.475 0.000 0.676 716 A CB 0.442 19.765 19.000 0.539 0.000 1.277 716 A HN 0.914 nan 8.150 nan 0.000 0.413 717 W N -0.453 121.010 121.300 0.271 0.000 2.959 717 W HA 0.812 5.472 4.660 -0.000 0.000 0.358 717 W C -1.155 175.391 176.519 0.046 0.000 1.228 717 W CA -0.634 56.752 57.345 0.069 0.000 1.183 717 W CB 1.167 30.610 29.460 -0.028 0.000 1.467 717 W HN 1.069 nan 8.180 nan 0.000 0.578 718 Q N 1.447 121.283 119.800 0.060 0.000 2.617 718 Q HA 0.334 4.674 4.340 -0.000 0.000 0.270 718 Q C -1.760 174.012 176.000 -0.379 0.000 0.967 718 Q CA -0.591 55.064 55.803 -0.247 0.000 0.887 718 Q CB 2.149 30.568 28.738 -0.531 0.000 1.516 718 Q HN 0.670 nan 8.270 nan 0.000 0.395 719 Q N 2.540 122.053 119.800 -0.478 0.000 2.416 719 Q HA 0.727 5.066 4.340 -0.000 0.000 0.281 719 Q C -1.460 174.396 176.000 -0.240 0.000 1.067 719 Q CA -0.591 55.100 55.803 -0.186 0.000 0.809 719 Q CB 1.743 30.563 28.738 0.137 0.000 1.418 719 Q HN 0.629 nan 8.270 nan 0.000 0.411 720 W N 2.002 123.494 121.300 0.320 0.000 3.032 720 W HA 0.463 5.123 4.660 -0.000 0.000 0.335 720 W C -0.534 175.987 176.519 0.004 0.000 1.154 720 W CA -0.854 56.597 57.345 0.177 0.000 1.204 720 W CB 2.082 31.584 29.460 0.069 0.000 1.416 720 W HN 0.683 nan 8.180 nan 0.000 0.521 721 R N 2.261 122.644 120.500 -0.195 0.000 2.216 721 R HA 0.284 4.624 4.340 -0.000 0.000 0.332 721 R C 0.745 176.832 176.300 -0.355 0.000 1.056 721 R CA -0.047 55.551 56.100 -0.836 0.000 0.901 721 R CB 0.555 30.159 30.300 -1.160 0.000 1.039 721 R HN 0.600 nan 8.270 nan 0.000 0.456 722 L N 2.964 124.015 121.223 -0.285 0.000 2.202 722 L HA 0.304 4.644 4.340 -0.000 0.000 0.205 722 L C 0.720 177.494 176.870 -0.159 0.000 1.083 722 L CA 0.592 55.340 54.840 -0.153 0.000 0.790 722 L CB 0.059 42.070 42.059 -0.079 0.000 0.942 722 L HN 0.704 nan 8.230 nan 0.000 0.452 723 A N -0.466 122.238 122.820 -0.192 0.000 2.564 723 A HA 0.619 4.939 4.320 -0.000 0.000 0.291 723 A C -1.537 175.959 177.584 -0.147 0.000 1.102 723 A CA -0.437 51.517 52.037 -0.138 0.000 0.660 723 A CB 1.712 20.664 19.000 -0.079 0.000 1.283 723 A HN 0.008 nan 8.150 nan 0.000 0.430 724 E N 0.540 120.684 120.200 -0.092 0.000 2.291 724 E HA 0.400 4.750 4.350 -0.000 0.000 0.276 724 E C -1.770 174.814 176.600 -0.026 0.000 0.896 724 E CA -0.606 55.755 56.400 -0.064 0.000 0.774 724 E CB 1.226 30.882 29.700 -0.075 0.000 1.227 724 E HN 0.596 nan 8.360 nan 0.000 0.413 725 N N 5.093 123.791 118.700 -0.003 0.000 2.476 725 N HA 0.292 5.032 4.740 -0.000 0.000 0.257 725 N C -0.448 175.074 175.510 0.019 0.000 0.970 725 N CA -0.360 52.695 53.050 0.008 0.000 0.938 725 N CB 1.331 39.827 38.487 0.015 0.000 1.144 725 N HN 0.496 nan 8.380 nan 0.000 0.500 726 L N 0.876 122.109 121.223 0.017 0.000 2.456 726 L HA 0.080 4.420 4.340 -0.000 0.000 0.272 726 L C 1.219 178.108 176.870 0.032 0.000 1.189 726 L CA 0.185 55.041 54.840 0.026 0.000 0.846 726 L CB 0.588 42.660 42.059 0.022 0.000 1.111 726 L HN 0.382 nan 8.230 nan 0.000 0.475 727 S N 1.725 117.449 115.700 0.041 0.000 2.439 727 S HA 0.255 4.725 4.470 -0.000 0.000 0.282 727 S C 0.344 174.966 174.600 0.037 0.000 1.170 727 S CA -0.900 57.325 58.200 0.041 0.000 1.054 727 S CB 0.606 63.836 63.200 0.050 0.000 0.956 727 S HN 0.421 nan 8.310 nan 0.000 0.490 728 V N 3.077 123.010 119.914 0.031 0.000 3.063 728 V HA 0.381 4.501 4.120 -0.000 0.000 0.379 728 V C 0.530 176.641 176.094 0.028 0.000 1.310 728 V CA -0.291 62.026 62.300 0.028 0.000 1.333 728 V CB -1.042 30.795 31.823 0.023 0.000 1.331 728 V HN 0.821 nan 8.190 nan 0.000 0.527 729 T N -0.428 114.146 114.554 0.032 0.000 2.918 729 T HA 0.804 5.154 4.350 -0.000 0.000 0.286 729 T C -0.621 174.098 174.700 0.031 0.000 1.026 729 T CA -0.735 61.383 62.100 0.030 0.000 1.031 729 T CB 2.082 70.967 68.868 0.029 0.000 1.046 729 T HN 0.271 nan 8.240 nan 0.000 0.479 730 L N 3.064 124.303 121.223 0.027 0.000 2.296 730 L HA 0.554 4.894 4.340 -0.000 0.000 0.286 730 L C -1.887 174.997 176.870 0.023 0.000 1.023 730 L CA -1.945 52.910 54.840 0.025 0.000 0.812 730 L CB 0.519 42.590 42.059 0.021 0.000 1.223 730 L HN 0.577 nan 8.230 nan 0.000 0.421 731 P HA 0.332 nan 4.420 nan 0.000 0.271 731 P C -0.502 176.803 177.300 0.010 0.000 1.216 731 P CA -0.406 62.705 63.100 0.017 0.000 0.776 731 P CB 1.094 32.804 31.700 0.018 0.000 0.881 732 A N 2.499 125.321 122.820 0.003 0.000 2.313 732 A HA 0.564 4.883 4.320 -0.000 0.000 0.261 732 A C 0.563 178.133 177.584 -0.025 0.000 1.090 732 A CA -0.174 51.862 52.037 -0.001 0.000 0.807 732 A CB -0.262 18.742 19.000 0.007 0.000 1.055 732 A HN 0.745 nan 8.150 nan 0.000 0.492 733 A N 0.822 123.633 122.820 -0.015 0.000 2.547 733 A HA 0.467 4.787 4.320 -0.000 0.000 0.233 733 A C 0.837 178.322 177.584 -0.166 0.000 1.067 733 A CA 0.577 52.596 52.037 -0.032 0.000 0.763 733 A CB -0.522 18.503 19.000 0.042 0.000 1.007 733 A HN 1.671 nan 8.150 nan 0.000 0.506 734 S N 0.377 115.986 115.700 -0.151 0.000 2.638 734 S HA 0.571 5.041 4.470 -0.000 0.000 0.298 734 S C 0.113 174.586 174.600 -0.212 0.000 1.111 734 S CA -0.718 57.336 58.200 -0.243 0.000 1.027 734 S CB 0.896 64.040 63.200 -0.092 0.000 1.064 734 S HN 0.662 nan 8.310 nan 0.000 0.525 735 H N -0.100 118.982 119.070 0.020 0.000 2.586 735 H HA 0.634 5.190 4.556 -0.000 0.000 0.273 735 H C 0.492 175.829 175.328 0.014 0.000 0.997 735 H CA 0.464 56.521 56.048 0.015 0.000 1.177 735 H CB 0.064 29.833 29.762 0.013 0.000 1.471 735 H HN 0.802 nan 8.280 nan 0.000 0.538 736 A N 0.789 123.661 122.820 0.087 0.000 2.599 736 A HA 0.622 4.942 4.320 -0.000 0.000 0.290 736 A C -0.910 176.700 177.584 0.043 0.000 1.101 736 A CA -0.754 51.322 52.037 0.066 0.000 0.674 736 A CB 1.328 20.370 19.000 0.069 0.000 1.277 736 A HN 0.192 nan 8.150 nan 0.000 0.419 737 I N -1.978 118.619 120.570 0.045 0.000 3.002 737 I HA 0.837 5.007 4.170 -0.000 0.000 0.310 737 I C -2.867 173.291 176.117 0.069 0.000 1.087 737 I CA -2.756 58.569 61.300 0.040 0.000 1.017 737 I CB 2.107 40.121 38.000 0.024 0.000 1.226 737 I HN 0.346 nan 8.210 nan 0.000 0.443 738 P HA 0.086 nan 4.420 nan 0.000 0.271 738 P C -1.403 175.991 177.300 0.157 0.000 1.233 738 P CA 0.202 63.366 63.100 0.106 0.000 0.789 738 P CB 0.207 31.934 31.700 0.045 0.000 0.951 739 H N 1.461 120.563 119.070 0.053 0.000 2.539 739 H HA 0.388 4.944 4.556 -0.000 0.000 0.332 739 H C -0.987 174.371 175.328 0.050 0.000 1.031 739 H CA -1.049 55.023 56.048 0.040 0.000 1.206 739 H CB 0.944 30.731 29.762 0.042 0.000 1.446 739 H HN 0.205 nan 8.280 nan 0.000 0.496 740 L N 4.242 125.341 121.223 -0.208 0.000 2.421 740 L HA 0.370 4.710 4.340 -0.000 0.000 0.263 740 L C -0.600 176.080 176.870 -0.318 0.000 1.122 740 L CA 0.277 54.980 54.840 -0.228 0.000 0.804 740 L CB 1.656 43.645 42.059 -0.117 0.000 1.150 740 L HN 0.704 nan 8.230 nan 0.000 0.457 741 T N 2.290 116.766 114.554 -0.130 0.000 3.483 741 T HA 0.292 4.642 4.350 -0.000 0.000 0.329 741 T C -0.943 173.814 174.700 0.094 0.000 1.014 741 T CA -0.434 61.634 62.100 -0.053 0.000 1.056 741 T CB 0.906 69.722 68.868 -0.087 0.000 1.090 741 T HN 0.714 nan 8.240 nan 0.000 0.460 742 T N 2.889 117.517 114.554 0.125 0.000 2.799 742 T HA 0.652 5.002 4.350 -0.000 0.000 0.286 742 T C 0.293 175.052 174.700 0.098 0.000 0.973 742 T CA -0.391 61.836 62.100 0.211 0.000 1.035 742 T CB 1.410 70.421 68.868 0.239 0.000 0.932 742 T HN 0.569 nan 8.240 nan 0.000 0.469 743 S N 1.782 117.516 115.700 0.056 0.000 2.837 743 S HA 0.431 4.901 4.470 -0.000 0.000 0.314 743 S C 0.916 175.493 174.600 -0.038 0.000 1.098 743 S CA -0.615 57.589 58.200 0.005 0.000 0.903 743 S CB 1.577 64.777 63.200 0.000 0.000 1.310 743 S HN 0.728 nan 8.310 nan 0.000 0.581 744 E N -0.613 119.559 120.200 -0.047 0.000 2.216 744 E HA 0.101 4.451 4.350 -0.000 0.000 0.192 744 E C 1.533 178.063 176.600 -0.116 0.000 0.973 744 E CA 0.371 56.731 56.400 -0.068 0.000 0.851 744 E CB 0.018 29.694 29.700 -0.039 0.000 0.804 744 E HN 0.529 nan 8.360 nan 0.000 0.477 745 M N 1.008 120.549 119.600 -0.097 0.000 2.476 745 M HA 0.107 4.587 4.480 -0.000 0.000 0.262 745 M C -0.174 176.045 176.300 -0.136 0.000 1.111 745 M CA 0.804 56.048 55.300 -0.092 0.000 1.127 745 M CB -0.522 32.055 32.600 -0.038 0.000 1.376 745 M HN 0.023 nan 8.290 nan 0.000 0.465 746 D N -1.715 118.583 120.400 -0.170 0.000 2.692 746 D HA 0.472 5.112 4.640 -0.000 0.000 0.290 746 D C -1.062 175.130 176.300 -0.181 0.000 1.281 746 D CA -0.681 53.208 54.000 -0.185 0.000 0.804 746 D CB 0.702 41.503 40.800 0.003 0.000 1.331 746 D HN -0.056 nan 8.370 nan 0.000 0.432 750 E N 4.462 124.795 120.200 0.221 0.000 2.317 750 E HA 0.811 5.161 4.350 -0.000 0.000 0.270 750 E C -1.876 174.892 176.600 0.280 0.000 0.885 750 E CA -0.728 55.815 56.400 0.238 0.000 0.760 750 E CB 3.259 33.027 29.700 0.114 0.000 1.227 750 E HN 0.531 nan 8.360 nan 0.000 0.434 751 L N 4.472 125.856 121.223 0.269 0.000 2.673 751 L HA 0.513 4.853 4.340 -0.000 0.000 0.255 751 L C -0.102 176.849 176.870 0.135 0.000 1.015 751 L CA 0.741 55.719 54.840 0.230 0.000 0.930 751 L CB 0.794 43.040 42.059 0.311 0.000 1.185 751 L HN 0.802 nan 8.230 nan 0.000 0.457 752 G N 3.524 112.372 108.800 0.080 0.000 2.509 752 G HA2 -0.368 3.592 3.960 -0.000 0.000 0.256 752 G HA3 -0.368 3.592 3.960 -0.000 0.000 0.256 752 G C 0.554 175.452 174.900 -0.004 0.000 1.152 752 G CA 0.404 45.524 45.100 0.035 0.000 0.951 752 G HN 0.875 nan 8.290 nan 0.000 0.559 753 N N 1.191 119.873 118.700 -0.030 0.000 2.331 753 N HA 0.008 4.748 4.740 -0.000 0.000 0.180 753 N C 0.839 176.284 175.510 -0.108 0.000 1.019 753 N CA 1.408 54.421 53.050 -0.062 0.000 0.881 753 N CB -0.205 38.248 38.487 -0.058 0.000 0.972 753 N HN 0.774 nan 8.380 nan 0.000 0.435 754 K N 0.599 120.908 120.400 -0.150 0.000 2.350 754 K HA 0.270 4.590 4.320 -0.000 0.000 0.279 754 K C -0.113 176.264 176.600 -0.371 0.000 1.027 754 K CA -0.000 56.065 56.287 -0.370 0.000 0.969 754 K CB 1.037 33.239 32.500 -0.497 0.000 0.954 754 K HN 0.066 nan 8.250 nan 0.000 0.474 755 R N 1.860 122.065 120.500 -0.491 0.000 2.698 755 R HA 0.401 4.741 4.340 -0.000 0.000 0.275 755 R C -1.558 174.649 176.300 -0.156 0.000 1.001 755 R CA -0.668 55.337 56.100 -0.159 0.000 0.896 755 R CB 1.484 31.748 30.300 -0.061 0.000 1.218 755 R HN 0.592 nan 8.270 nan 0.000 0.462 756 W N 2.839 124.249 121.300 0.184 0.000 2.883 756 W HA 0.328 4.988 4.660 -0.000 0.000 0.335 756 W C -0.754 175.852 176.519 0.146 0.000 1.083 756 W CA -0.530 56.880 57.345 0.108 0.000 1.233 756 W CB 2.236 31.728 29.460 0.053 0.000 1.412 756 W HN 0.420 nan 8.180 nan 0.000 0.490 757 Q N 2.598 122.543 119.800 0.242 0.000 2.340 757 Q HA 0.488 4.828 4.340 -0.000 0.000 0.268 757 Q C -1.995 173.949 176.000 -0.094 0.000 1.031 757 Q CA -0.516 55.414 55.803 0.212 0.000 0.804 757 Q CB 1.844 30.776 28.738 0.323 0.000 1.286 757 Q HN 0.368 nan 8.270 nan 0.000 0.448 758 F N 2.764 122.802 119.950 0.148 0.000 2.426 758 F HA 0.318 4.845 4.527 -0.000 0.000 0.348 758 F C 0.610 176.425 175.800 0.025 0.000 1.124 758 F CA -0.789 57.265 58.000 0.089 0.000 1.008 758 F CB 1.373 40.453 39.000 0.132 0.000 1.139 758 F HN 0.510 nan 8.300 nan 0.000 0.452 759 N N 3.473 122.261 118.700 0.147 0.000 2.497 759 N HA 0.077 4.817 4.740 -0.000 0.000 0.268 759 N C 0.925 176.428 175.510 -0.012 0.000 1.171 759 N CA 0.026 53.109 53.050 0.056 0.000 0.948 759 N CB 0.791 39.322 38.487 0.073 0.000 1.069 759 N HN 0.708 nan 8.380 nan 0.000 0.460 760 R N 2.000 122.414 120.500 -0.144 0.000 2.276 760 R HA -0.029 4.311 4.340 -0.000 0.000 0.203 760 R C 1.221 177.441 176.300 -0.133 0.000 1.017 760 R CA 0.980 56.934 56.100 -0.243 0.000 1.010 760 R CB 0.310 30.354 30.300 -0.427 0.000 0.900 760 R HN 0.701 nan 8.270 nan 0.000 0.469 761 Q N -0.825 118.932 119.800 -0.071 0.000 2.373 761 Q HA 0.034 4.374 4.340 -0.000 0.000 0.210 761 Q C 1.831 177.815 176.000 -0.026 0.000 0.913 761 Q CA 1.149 56.924 55.803 -0.046 0.000 0.911 761 Q CB 0.482 29.207 28.738 -0.022 0.000 1.040 761 Q HN 0.214 nan 8.270 nan 0.000 0.521 762 S N -0.297 115.407 115.700 0.007 0.000 2.470 762 S HA 0.214 4.684 4.470 -0.000 0.000 0.222 762 S C 1.594 176.100 174.600 -0.157 0.000 1.024 762 S CA 0.543 58.764 58.200 0.035 0.000 0.931 762 S CB 0.316 63.648 63.200 0.220 0.000 0.791 762 S HN 0.489 nan 8.310 nan 0.000 0.513 763 G N 0.562 109.295 108.800 -0.110 0.000 2.143 763 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.248 763 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.248 763 G C -0.129 174.685 174.900 -0.143 0.000 0.991 763 G CA 0.325 45.346 45.100 -0.131 0.000 0.689 763 G HN 0.539 nan 8.290 nan 0.000 0.522 764 F N -1.319 118.816 119.950 0.309 0.000 2.538 764 F HA 0.643 5.170 4.527 -0.000 0.000 0.325 764 F C 0.499 176.327 175.800 0.048 0.000 1.066 764 F CA -1.465 56.680 58.000 0.241 0.000 0.946 764 F CB 1.550 40.641 39.000 0.152 0.000 1.199 764 F HN 0.028 nan 8.300 nan 0.000 0.473 765 L N 1.803 123.086 121.223 0.099 0.000 2.530 765 L HA 0.183 4.523 4.340 -0.000 0.000 0.273 765 L C 0.601 177.368 176.870 -0.171 0.000 1.141 765 L CA 0.830 55.359 54.840 -0.518 0.000 0.905 765 L CB 0.413 42.169 42.059 -0.505 0.000 1.202 765 L HN 0.642 nan 8.230 nan 0.000 0.473 766 S N 2.472 118.068 115.700 -0.174 0.000 2.470 766 S HA 0.142 4.611 4.470 -0.000 0.000 0.222 766 S C 0.275 174.771 174.600 -0.172 0.000 1.024 766 S CA 0.322 58.472 58.200 -0.084 0.000 0.931 766 S CB 0.006 63.194 63.200 -0.019 0.000 0.791 766 S HN 0.757 nan 8.310 nan 0.000 0.513 767 Q N -0.125 119.520 119.800 -0.258 0.000 2.702 767 Q HA 0.602 4.942 4.340 -0.000 0.000 0.289 767 Q C -1.625 174.058 176.000 -0.529 0.000 0.923 767 Q CA -0.558 54.971 55.803 -0.456 0.000 0.787 767 Q CB 1.253 29.615 28.738 -0.628 0.000 1.476 767 Q HN 0.239 nan 8.270 nan 0.000 0.402 768 M N 0.869 120.014 119.600 -0.758 0.000 2.413 768 M HA 0.745 5.225 4.480 -0.000 0.000 0.287 768 M C -2.009 173.879 176.300 -0.686 0.000 1.186 768 M CA -0.274 54.670 55.300 -0.593 0.000 0.927 768 M CB 1.835 34.133 32.600 -0.505 0.000 1.715 768 M HN 0.541 nan 8.290 nan 0.000 0.478 769 W N 3.949 125.026 121.300 -0.371 0.000 2.761 769 W HA 0.673 5.333 4.660 -0.000 0.000 0.340 769 W C -1.399 174.916 176.519 -0.341 0.000 1.072 769 W CA -0.879 56.297 57.345 -0.282 0.000 1.215 769 W CB 2.006 31.331 29.460 -0.224 0.000 1.420 769 W HN 0.578 nan 8.180 nan 0.000 0.519 770 I N 2.769 123.343 120.570 0.007 0.000 2.448 770 I HA 0.401 4.571 4.170 -0.000 0.000 0.281 770 I C 0.728 176.839 176.117 -0.011 0.000 1.027 770 I CA 0.135 61.390 61.300 -0.074 0.000 1.111 770 I CB 1.082 39.010 38.000 -0.121 0.000 1.236 770 I HN 0.728 nan 8.210 nan 0.000 0.452 771 G N 5.840 114.629 108.800 -0.019 0.000 2.523 771 G HA2 -0.287 3.672 3.960 -0.000 0.000 0.271 771 G HA3 -0.287 3.672 3.960 -0.000 0.000 0.271 771 G C 0.248 175.169 174.900 0.034 0.000 1.146 771 G CA 0.457 45.549 45.100 -0.012 0.000 0.961 771 G HN 0.715 nan 8.290 nan 0.000 0.549 772 D N 0.777 121.214 120.400 0.062 0.000 2.431 772 D HA 0.234 4.873 4.640 -0.000 0.000 0.213 772 D C 0.622 177.061 176.300 0.232 0.000 1.130 772 D CA 0.132 54.203 54.000 0.119 0.000 0.834 772 D CB 0.315 41.136 40.800 0.036 0.000 0.985 772 D HN 0.504 nan 8.370 nan 0.000 0.504 773 K N 1.162 121.659 120.400 0.162 0.000 2.248 773 K HA 0.272 4.592 4.320 -0.000 0.000 0.281 773 K C -0.027 176.544 176.600 -0.048 0.000 1.054 773 K CA -0.444 55.878 56.287 0.057 0.000 0.903 773 K CB 1.622 34.117 32.500 -0.008 0.000 1.077 773 K HN -0.118 nan 8.250 nan 0.000 0.474 774 K N 2.201 122.490 120.400 -0.185 0.000 2.326 774 K HA 0.029 4.349 4.320 -0.000 0.000 0.275 774 K C 0.752 177.162 176.600 -0.318 0.000 1.018 774 K CA -0.192 55.791 56.287 -0.506 0.000 0.962 774 K CB 0.802 33.044 32.500 -0.431 0.000 0.953 774 K HN 0.443 nan 8.250 nan 0.000 0.475 775 Q N 1.368 120.951 119.800 -0.361 0.000 2.350 775 Q HA 0.193 4.533 4.340 -0.000 0.000 0.225 775 Q C 0.045 175.961 176.000 -0.140 0.000 0.878 775 Q CA 0.433 56.142 55.803 -0.158 0.000 0.935 775 Q CB 0.521 29.231 28.738 -0.046 0.000 1.099 775 Q HN 0.492 nan 8.270 nan 0.000 0.527 776 L N 0.548 121.628 121.223 -0.238 0.000 2.354 776 L HA 0.413 4.753 4.340 -0.000 0.000 0.269 776 L C 0.821 177.566 176.870 -0.209 0.000 1.005 776 L CA -0.468 54.259 54.840 -0.188 0.000 0.819 776 L CB 1.711 43.663 42.059 -0.178 0.000 1.311 776 L HN -0.115 nan 8.230 nan 0.000 0.423 777 L N -0.255 120.839 121.223 -0.215 0.000 2.513 777 L HA 0.275 4.615 4.340 -0.000 0.000 0.222 777 L C 0.325 177.082 176.870 -0.188 0.000 1.096 777 L CA 0.575 55.292 54.840 -0.204 0.000 0.857 777 L CB 0.261 42.187 42.059 -0.223 0.000 1.026 777 L HN 0.595 nan 8.230 nan 0.000 0.469 778 T N 0.000 114.428 114.554 -0.210 0.000 2.916 778 T HA 0.416 4.766 4.350 -0.000 0.000 0.305 778 T C -2.652 171.980 174.700 -0.114 0.000 1.119 778 T CA -1.055 60.958 62.100 -0.145 0.000 1.008 778 T CB 2.711 71.455 68.868 -0.206 0.000 1.129 778 T HN -0.263 nan 8.240 nan 0.000 0.480 779 P HA 0.290 nan 4.420 nan 0.000 0.272 779 P C -0.799 176.458 177.300 -0.071 0.000 1.230 779 P CA -0.750 62.319 63.100 -0.051 0.000 0.788 779 P CB 0.437 32.136 31.700 -0.000 0.000 0.949 780 L N 3.336 124.552 121.223 -0.011 0.000 2.313 780 L HA 0.306 4.646 4.340 -0.000 0.000 0.282 780 L C 0.439 177.218 176.870 -0.152 0.000 1.092 780 L CA 0.498 55.347 54.840 0.016 0.000 0.831 780 L CB -0.522 41.659 42.059 0.204 0.000 1.159 780 L HN 0.415 nan 8.230 nan 0.000 0.442 781 R N 2.186 122.539 120.500 -0.245 0.000 2.764 781 R HA 0.520 4.860 4.340 -0.000 0.000 0.270 781 R C -1.192 174.957 176.300 -0.251 0.000 1.014 781 R CA -1.049 54.787 56.100 -0.439 0.000 0.904 781 R CB 0.527 30.268 30.300 -0.932 0.000 1.236 781 R HN 0.414 nan 8.270 nan 0.000 0.466 782 D N 1.053 121.340 120.400 -0.189 0.000 2.399 782 D HA 0.084 4.724 4.640 -0.000 0.000 0.241 782 D C -0.461 175.442 176.300 -0.661 0.000 1.133 782 D CA 0.464 54.216 54.000 -0.413 0.000 0.890 782 D CB 0.687 41.222 40.800 -0.442 0.000 1.201 782 D HN 0.313 nan 8.370 nan 0.000 0.432 783 Q N 1.237 120.456 119.800 -0.968 0.000 2.305 783 Q HA 0.369 4.709 4.340 -0.000 0.000 0.271 783 Q C -1.194 174.061 176.000 -1.242 0.000 1.046 783 Q CA -0.600 54.687 55.803 -0.860 0.000 0.798 783 Q CB 0.882 29.332 28.738 -0.480 0.000 1.286 783 Q HN 0.559 nan 8.270 nan 0.000 0.435 784 F N 0.637 120.225 119.950 -0.603 0.000 2.729 784 F HA 0.201 4.728 4.527 -0.000 0.000 0.315 784 F C 0.574 175.971 175.800 -0.672 0.000 1.102 784 F CA -0.216 57.334 58.000 -0.750 0.000 1.204 784 F CB 1.555 39.859 39.000 -1.160 0.000 1.052 784 F HN 0.455 nan 8.300 nan 0.000 0.551 785 T N -0.888 113.389 114.554 -0.461 0.000 2.907 785 T HA 0.760 5.110 4.350 -0.000 0.000 0.290 785 T C -0.599 173.861 174.700 -0.399 0.000 1.066 785 T CA -0.976 60.773 62.100 -0.585 0.000 1.012 785 T CB 2.726 71.197 68.868 -0.661 0.000 1.184 785 T HN 0.237 nan 8.240 nan 0.000 0.522 786 R N -0.189 120.114 120.500 -0.328 0.000 2.771 786 R HA 0.757 5.097 4.340 -0.000 0.000 0.274 786 R C -0.906 175.450 176.300 0.093 0.000 0.987 786 R CA -1.184 54.852 56.100 -0.106 0.000 0.908 786 R CB 1.588 31.835 30.300 -0.088 0.000 1.213 786 R HN 0.832 nan 8.270 nan 0.000 0.468 787 A N 3.835 126.694 122.820 0.065 0.000 2.476 787 A HA 0.292 4.612 4.320 -0.000 0.000 0.275 787 A C -1.982 175.665 177.584 0.105 0.000 1.133 787 A CA -1.370 50.708 52.037 0.067 0.000 0.797 787 A CB -0.485 18.499 19.000 -0.026 0.000 1.081 787 A HN 0.567 nan 8.150 nan 0.000 0.510 788 P HA 0.035 nan 4.420 nan 0.000 0.263 788 P C -0.270 177.129 177.300 0.164 0.000 1.175 788 P CA 0.556 63.805 63.100 0.249 0.000 0.761 788 P CB 0.315 32.194 31.700 0.299 0.000 0.794 789 L N 2.203 123.495 121.223 0.115 0.000 2.454 789 L HA 0.236 4.576 4.340 -0.000 0.000 0.256 789 L C 1.838 178.719 176.870 0.019 0.000 1.136 789 L CA -0.628 54.221 54.840 0.014 0.000 0.804 789 L CB 0.029 42.029 42.059 -0.099 0.000 1.181 789 L HN 0.275 nan 8.230 nan 0.000 0.469 790 D N 0.329 120.683 120.400 -0.076 0.000 2.123 790 D HA -0.162 4.477 4.640 -0.000 0.000 0.196 790 D C 1.596 177.825 176.300 -0.118 0.000 0.992 790 D CA 1.446 55.334 54.000 -0.188 0.000 0.833 790 D CB 0.033 40.639 40.800 -0.323 0.000 0.954 790 D HN 0.473 nan 8.370 nan 0.000 0.455 791 N N 1.006 119.653 118.700 -0.089 0.000 2.309 791 N HA -0.107 4.633 4.740 -0.000 0.000 0.182 791 N C 1.093 176.618 175.510 0.026 0.000 1.018 791 N CA 0.677 53.704 53.050 -0.038 0.000 0.876 791 N CB -0.151 38.301 38.487 -0.060 0.000 0.972 791 N HN 0.241 nan 8.380 nan 0.000 0.434 792 D N 0.139 120.566 120.400 0.044 0.000 2.277 792 D HA 0.062 4.701 4.640 -0.000 0.000 0.208 792 D C 1.876 178.229 176.300 0.089 0.000 0.962 792 D CA 0.350 54.411 54.000 0.102 0.000 0.865 792 D CB 0.275 41.192 40.800 0.196 0.000 0.939 792 D HN 0.340 nan 8.370 nan 0.000 0.510 793 I N -0.225 120.382 120.570 0.062 0.000 2.628 793 I HA 0.097 4.267 4.170 -0.000 0.000 0.255 793 I C 1.852 178.003 176.117 0.055 0.000 1.119 793 I CA 0.540 61.868 61.300 0.048 0.000 1.448 793 I CB -0.141 37.867 38.000 0.012 0.000 1.133 793 I HN 0.049 nan 8.210 nan 0.000 0.438 794 G N 1.630 110.477 108.800 0.079 0.000 2.596 794 G HA2 -0.360 3.600 3.960 -0.000 0.000 0.304 794 G HA3 -0.360 3.600 3.960 -0.000 0.000 0.304 794 G C 0.685 175.759 174.900 0.289 0.000 1.189 794 G CA 0.947 46.157 45.100 0.184 0.000 0.986 794 G HN 0.573 nan 8.290 nan 0.000 0.548 795 V N -2.175 117.850 119.914 0.185 0.000 3.271 795 V HA 0.688 4.808 4.120 -0.000 0.000 0.327 795 V C 0.979 177.096 176.094 0.037 0.000 1.389 795 V CA 1.039 63.398 62.300 0.098 0.000 1.156 795 V CB 0.339 32.121 31.823 -0.069 0.000 1.103 795 V HN 1.282 nan 8.190 nan 0.000 0.453 796 S N 1.348 117.074 115.700 0.043 0.000 2.498 796 S HA 0.332 4.802 4.470 -0.000 0.000 0.281 796 S C -0.086 174.529 174.600 0.024 0.000 1.265 796 S CA 0.064 58.273 58.200 0.016 0.000 1.071 796 S CB 0.358 63.565 63.200 0.011 0.000 0.894 796 S HN 0.799 nan 8.310 nan 0.000 0.491 797 E N 2.450 122.658 120.200 0.012 0.000 2.235 797 E HA 0.661 5.011 4.350 -0.000 0.000 0.265 797 E C 0.736 177.348 176.600 0.020 0.000 0.940 797 E CA -0.292 56.121 56.400 0.021 0.000 0.819 797 E CB 1.333 31.040 29.700 0.011 0.000 1.206 797 E HN 0.639 nan 8.360 nan 0.000 0.409 798 A N 0.982 123.820 122.820 0.030 0.000 1.972 798 A HA -0.185 4.135 4.320 -0.000 0.000 0.219 798 A C 2.055 179.652 177.584 0.020 0.000 1.169 798 A CA 2.330 54.384 52.037 0.029 0.000 0.635 798 A CB -0.923 18.100 19.000 0.038 0.000 0.810 798 A HN 0.700 nan 8.150 nan 0.000 0.446 799 T N -2.570 111.994 114.554 0.017 0.000 2.851 799 T HA -0.007 4.343 4.350 -0.000 0.000 0.262 799 T C 1.147 175.846 174.700 -0.001 0.000 1.043 799 T CA 0.919 63.025 62.100 0.009 0.000 1.140 799 T CB -0.102 68.771 68.868 0.009 0.000 0.872 799 T HN 0.311 nan 8.240 nan 0.000 0.446 800 R N 1.135 121.631 120.500 -0.006 0.000 2.402 800 R HA 0.442 4.782 4.340 -0.000 0.000 0.290 800 R C -0.755 175.534 176.300 -0.018 0.000 1.321 800 R CA -0.513 55.577 56.100 -0.018 0.000 1.283 800 R CB 0.174 30.455 30.300 -0.032 0.000 1.111 800 R HN 0.439 nan 8.270 nan 0.000 0.578 801 I N 2.232 122.794 120.570 -0.013 0.000 2.648 801 I HA -0.067 4.103 4.170 -0.000 0.000 0.284 801 I C 0.197 176.298 176.117 -0.026 0.000 1.153 801 I CA 0.547 61.839 61.300 -0.013 0.000 1.426 801 I CB 0.728 38.724 38.000 -0.008 0.000 1.381 801 I HN 0.431 nan 8.210 nan 0.000 0.571 802 D N 9.404 129.786 120.400 -0.029 0.000 2.472 802 D HA 0.262 4.902 4.640 -0.000 0.000 0.234 802 D C -1.677 174.584 176.300 -0.065 0.000 1.088 802 D CA -2.304 51.669 54.000 -0.044 0.000 0.882 802 D CB 1.351 42.129 40.800 -0.036 0.000 1.037 802 D HN 0.154 nan 8.370 nan 0.000 0.520 803 P HA -0.079 nan 4.420 nan 0.000 0.226 803 P C 0.488 177.694 177.300 -0.156 0.000 1.146 803 P CA 0.697 63.738 63.100 -0.097 0.000 0.773 803 P CB 0.376 32.028 31.700 -0.080 0.000 0.772 804 N N -0.457 118.145 118.700 -0.164 0.000 2.373 804 N HA 0.081 4.821 4.740 -0.000 0.000 0.181 804 N C 0.804 176.114 175.510 -0.333 0.000 1.082 804 N CA 0.074 52.974 53.050 -0.249 0.000 0.885 804 N CB 0.021 38.387 38.487 -0.201 0.000 0.977 804 N HN 0.083 nan 8.380 nan 0.000 0.462 805 A N 0.353 123.039 122.820 -0.223 0.000 2.498 805 A HA 0.028 4.348 4.320 -0.000 0.000 0.239 805 A C 0.776 178.164 177.584 -0.326 0.000 1.068 805 A CA -0.326 51.590 52.037 -0.202 0.000 0.766 805 A CB 0.003 18.957 19.000 -0.077 0.000 1.003 805 A HN 0.319 nan 8.150 nan 0.000 0.497 806 W N 1.869 122.920 121.300 -0.414 0.000 2.302 806 W HA -0.219 4.441 4.660 -0.000 0.000 0.320 806 W C 2.248 178.188 176.519 -0.965 0.000 1.241 806 W CA 1.943 58.775 57.345 -0.854 0.000 1.264 806 W CB -0.422 28.419 29.460 -1.031 0.000 1.154 806 W HN 0.558 nan 8.180 nan 0.000 0.483 807 V N 0.771 120.556 119.914 -0.216 0.000 2.392 807 V HA -0.285 3.835 4.120 -0.000 0.000 0.249 807 V C 2.210 178.380 176.094 0.126 0.000 1.059 807 V CA 2.175 64.566 62.300 0.152 0.000 1.051 807 V CB -0.409 31.547 31.823 0.223 0.000 0.658 807 V HN 0.085 nan 8.190 nan 0.000 0.455 808 E N 0.032 120.219 120.200 -0.020 0.000 2.106 808 E HA -0.160 4.190 4.350 -0.000 0.000 0.192 808 E C 2.362 178.933 176.600 -0.047 0.000 0.984 808 E CA 1.147 57.535 56.400 -0.019 0.000 0.806 808 E CB -0.348 29.318 29.700 -0.057 0.000 0.750 808 E HN 0.624 nan 8.360 nan 0.000 0.458 809 R N -0.389 120.004 120.500 -0.179 0.000 2.090 809 R HA -0.085 4.255 4.340 -0.000 0.000 0.228 809 R C 2.226 178.481 176.300 -0.076 0.000 1.110 809 R CA 0.841 56.820 56.100 -0.201 0.000 0.973 809 R CB -0.213 29.843 30.300 -0.406 0.000 0.869 809 R HN 0.264 nan 8.270 nan 0.000 0.440 810 W N 1.866 123.140 121.300 -0.044 0.000 2.381 810 W HA -0.004 4.656 4.660 -0.000 0.000 0.301 810 W C 2.006 178.492 176.519 -0.055 0.000 1.205 810 W CA 0.365 57.580 57.345 -0.216 0.000 1.285 810 W CB -0.601 28.842 29.460 -0.028 0.000 1.133 810 W HN 0.083 nan 8.180 nan 0.000 0.521 811 K N 0.154 120.801 120.400 0.412 0.000 2.009 811 K HA -0.139 4.180 4.320 -0.000 0.000 0.210 811 K C 2.190 178.880 176.600 0.151 0.000 1.049 811 K CA 1.904 58.391 56.287 0.334 0.000 0.929 811 K CB -0.585 32.045 32.500 0.217 0.000 0.714 811 K HN -0.020 nan 8.250 nan 0.000 0.440 812 A N 0.955 123.831 122.820 0.093 0.000 2.070 812 A HA -0.076 4.243 4.320 -0.000 0.000 0.220 812 A C 2.113 179.724 177.584 0.046 0.000 1.159 812 A CA 1.739 53.811 52.037 0.058 0.000 0.656 812 A CB -0.408 18.608 19.000 0.027 0.000 0.800 812 A HN 0.369 nan 8.150 nan 0.000 0.453 813 A N -1.934 120.892 122.820 0.011 0.000 2.218 813 A HA 0.417 4.737 4.320 -0.000 0.000 0.209 813 A C 1.753 179.318 177.584 -0.032 0.000 1.168 813 A CA 1.171 53.227 52.037 0.031 0.000 0.804 813 A CB -0.733 18.260 19.000 -0.012 0.000 0.834 813 A HN 1.839 nan 8.150 nan 0.000 0.482 814 G N -1.410 107.285 108.800 -0.175 0.000 2.132 814 G HA2 -0.287 3.672 3.960 -0.000 0.000 0.234 814 G HA3 -0.287 3.672 3.960 -0.000 0.000 0.234 814 G C 0.543 175.415 174.900 -0.047 0.000 0.989 814 G CA 0.617 45.395 45.100 -0.538 0.000 0.676 814 G HN 0.737 nan 8.290 nan 0.000 0.522 815 H N -1.507 117.535 119.070 -0.047 0.000 2.387 815 H HA -0.087 4.469 4.556 -0.000 0.000 0.299 815 H C 2.174 177.464 175.328 -0.064 0.000 1.099 815 H CA 1.574 57.593 56.048 -0.048 0.000 1.315 815 H CB 0.104 29.762 29.762 -0.174 0.000 1.380 815 H HN 0.621 nan 8.280 nan 0.000 0.513 816 Y N 0.791 121.202 120.300 0.184 0.000 2.516 816 Y HA -0.098 4.452 4.550 -0.000 0.000 0.291 816 Y C 1.936 177.905 175.900 0.115 0.000 1.131 816 Y CA 0.655 58.828 58.100 0.120 0.000 1.281 816 Y CB 0.387 38.906 38.460 0.099 0.000 1.013 816 Y HN 0.350 nan 8.280 nan 0.000 0.554 817 Q N -0.490 119.447 119.800 0.228 0.000 2.110 817 Q HA 0.466 4.806 4.340 -0.000 0.000 0.232 817 Q C -0.048 176.106 176.000 0.258 0.000 0.810 817 Q CA -0.343 55.590 55.803 0.217 0.000 1.083 817 Q CB 0.474 29.328 28.738 0.193 0.000 1.193 817 Q HN 0.130 nan 8.270 nan 0.000 0.471 818 A N 1.245 124.234 122.820 0.281 0.000 2.386 818 A HA 0.312 4.632 4.320 -0.000 0.000 0.248 818 A C -0.120 177.725 177.584 0.436 0.000 1.082 818 A CA -0.181 52.080 52.037 0.373 0.000 0.789 818 A CB 0.481 19.726 19.000 0.408 0.000 1.025 818 A HN 0.289 nan 8.150 nan 0.000 0.490 819 E N 0.778 121.180 120.200 0.336 0.000 2.134 819 E HA 0.470 4.820 4.350 -0.000 0.000 0.278 819 E C -0.137 176.439 176.600 -0.040 0.000 0.959 819 E CA -0.209 56.302 56.400 0.185 0.000 0.783 819 E CB 1.696 31.475 29.700 0.131 0.000 1.095 819 E HN 0.717 nan 8.360 nan 0.000 0.399 820 A N 2.462 125.144 122.820 -0.230 0.000 2.401 820 A HA 0.578 4.898 4.320 -0.000 0.000 0.259 820 A C -0.174 177.250 177.584 -0.268 0.000 1.103 820 A CA -0.127 51.499 52.037 -0.684 0.000 0.789 820 A CB 0.478 19.097 19.000 -0.635 0.000 1.035 820 A HN 0.546 nan 8.150 nan 0.000 0.491 821 A N 2.316 124.976 122.820 -0.266 0.000 2.343 821 A HA 0.579 4.899 4.320 -0.000 0.000 0.308 821 A C -0.642 176.870 177.584 -0.121 0.000 1.092 821 A CA -0.552 51.416 52.037 -0.116 0.000 0.751 821 A CB 0.733 19.687 19.000 -0.077 0.000 1.203 821 A HN 1.329 nan 8.150 nan 0.000 0.452 822 L N 3.188 124.329 121.223 -0.137 0.000 2.410 822 L HA 0.330 4.670 4.340 -0.000 0.000 0.273 822 L C 0.369 177.112 176.870 -0.212 0.000 1.144 822 L CA 0.321 54.980 54.840 -0.301 0.000 0.863 822 L CB 0.271 42.148 42.059 -0.303 0.000 1.140 822 L HN 0.782 nan 8.230 nan 0.000 0.463 823 L N 3.639 124.721 121.223 -0.236 0.000 2.470 823 L HA 0.289 4.629 4.340 -0.000 0.000 0.219 823 L C 0.290 177.092 176.870 -0.113 0.000 1.071 823 L CA 0.092 54.858 54.840 -0.123 0.000 0.850 823 L CB 0.073 42.092 42.059 -0.067 0.000 1.040 823 L HN 0.793 nan 8.230 nan 0.000 0.475 824 Q N -0.370 119.332 119.800 -0.163 0.000 2.468 824 Q HA 0.259 4.599 4.340 -0.000 0.000 0.263 824 Q C -1.890 174.051 176.000 -0.097 0.000 0.979 824 Q CA -0.646 55.098 55.803 -0.097 0.000 0.932 824 Q CB 2.401 31.111 28.738 -0.048 0.000 1.462 824 Q HN 0.024 nan 8.270 nan 0.000 0.403 825 C N 3.543 122.826 119.300 -0.027 0.000 2.919 825 C HA 0.727 5.187 4.460 -0.000 0.000 0.337 825 C C -0.671 174.408 174.990 0.147 0.000 1.039 825 C CA 0.605 59.652 59.018 0.048 0.000 1.373 825 C CB 0.359 28.127 27.740 0.046 0.000 1.843 825 C HN 0.807 nan 8.230 nan 0.000 0.493 826 T N 2.539 117.123 114.554 0.050 0.000 2.912 826 T HA 0.885 5.235 4.350 -0.000 0.000 0.288 826 T C -0.352 174.181 174.700 -0.279 0.000 1.030 826 T CA -0.142 61.932 62.100 -0.044 0.000 1.020 826 T CB 1.907 70.746 68.868 -0.047 0.000 1.056 826 T HN 1.703 nan 8.240 nan 0.000 0.480 827 A N 2.189 124.724 122.820 -0.475 0.000 2.393 827 A HA 0.758 5.078 4.320 -0.000 0.000 0.306 827 A C -1.188 176.172 177.584 -0.372 0.000 1.050 827 A CA -0.739 50.917 52.037 -0.635 0.000 0.724 827 A CB 1.415 19.643 19.000 -1.285 0.000 1.248 827 A HN 0.889 nan 8.150 nan 0.000 0.424 828 D N 0.693 120.927 120.400 -0.277 0.000 2.661 828 D HA 0.524 5.164 4.640 -0.000 0.000 0.228 828 D C -1.149 175.067 176.300 -0.140 0.000 1.183 828 D CA -0.009 53.888 54.000 -0.172 0.000 0.844 828 D CB 2.473 43.202 40.800 -0.119 0.000 1.555 828 D HN 0.436 nan 8.370 nan 0.000 0.453 829 T N 1.434 115.931 114.554 -0.096 0.000 2.772 829 T HA 0.467 4.817 4.350 -0.000 0.000 0.288 829 T C 0.171 174.843 174.700 -0.046 0.000 0.994 829 T CA -0.579 61.482 62.100 -0.065 0.000 0.951 829 T CB 0.995 69.838 68.868 -0.040 0.000 0.933 829 T HN 0.047 nan 8.240 nan 0.000 0.447 830 L N 1.674 122.871 121.223 -0.043 0.000 2.440 830 L HA 0.704 5.044 4.340 -0.000 0.000 0.262 830 L C 1.732 178.591 176.870 -0.019 0.000 1.072 830 L CA -0.411 54.410 54.840 -0.031 0.000 0.798 830 L CB 0.155 42.194 42.059 -0.033 0.000 1.307 830 L HN 0.708 nan 8.230 nan 0.000 0.475 831 A N -0.662 122.151 122.820 -0.013 0.000 2.016 831 A HA -0.052 4.268 4.320 -0.000 0.000 0.217 831 A C 0.996 178.579 177.584 -0.003 0.000 1.162 831 A CA 1.478 53.512 52.037 -0.005 0.000 0.662 831 A CB -0.636 18.363 19.000 -0.002 0.000 0.812 831 A HN 0.854 nan 8.150 nan 0.000 0.450 832 D N -1.743 118.652 120.400 -0.008 0.000 2.441 832 D HA 0.541 5.181 4.640 -0.000 0.000 0.210 832 D C 0.403 176.693 176.300 -0.016 0.000 1.102 832 D CA 0.754 54.750 54.000 -0.007 0.000 0.840 832 D CB 0.590 41.387 40.800 -0.005 0.000 0.990 832 D HN 0.465 nan 8.370 nan 0.000 0.505 833 A N -0.358 122.447 122.820 -0.026 0.000 2.467 833 A HA 0.598 4.918 4.320 -0.000 0.000 0.301 833 A C -1.760 175.788 177.584 -0.060 0.000 1.126 833 A CA -0.766 51.244 52.037 -0.044 0.000 0.632 833 A CB 0.677 19.647 19.000 -0.050 0.000 1.331 833 A HN -0.048 nan 8.150 nan 0.000 0.482 834 V N 0.328 120.187 119.914 -0.092 0.000 2.547 834 V HA 0.680 4.800 4.120 -0.000 0.000 0.299 834 V C -0.839 175.171 176.094 -0.140 0.000 1.040 834 V CA -0.430 61.798 62.300 -0.120 0.000 0.913 834 V CB 1.338 33.078 31.823 -0.139 0.000 0.992 834 V HN 0.844 nan 8.190 nan 0.000 0.449 835 L N 5.932 127.064 121.223 -0.152 0.000 2.376 835 L HA 0.661 5.001 4.340 -0.000 0.000 0.275 835 L C -0.912 175.835 176.870 -0.204 0.000 0.987 835 L CA -0.008 54.748 54.840 -0.139 0.000 0.828 835 L CB 1.397 43.399 42.059 -0.096 0.000 1.249 835 L HN 0.418 nan 8.230 nan 0.000 0.409 836 I N 3.618 124.071 120.570 -0.195 0.000 2.474 836 I HA 0.513 4.683 4.170 -0.000 0.000 0.294 836 I C -0.163 175.935 176.117 -0.031 0.000 1.005 836 I CA -0.372 60.771 61.300 -0.261 0.000 1.113 836 I CB 1.840 39.484 38.000 -0.594 0.000 1.289 836 I HN 0.527 nan 8.210 nan 0.000 0.436 837 T N 4.183 118.713 114.554 -0.039 0.000 2.881 837 T HA 0.634 4.984 4.350 -0.000 0.000 0.290 837 T C -0.080 174.660 174.700 0.066 0.000 1.000 837 T CA -0.488 61.637 62.100 0.041 0.000 0.978 837 T CB 1.874 70.739 68.868 -0.006 0.000 0.997 837 T HN 0.825 nan 8.240 nan 0.000 0.443 838 T N -0.226 114.407 114.554 0.133 0.000 2.906 838 T HA 0.899 5.249 4.350 -0.000 0.000 0.295 838 T C -1.157 173.592 174.700 0.082 0.000 1.075 838 T CA -1.058 61.095 62.100 0.089 0.000 1.005 838 T CB 2.051 71.045 68.868 0.209 0.000 1.136 838 T HN 0.770 nan 8.240 nan 0.000 0.498 839 A N 1.480 124.267 122.820 -0.056 0.000 2.459 839 A HA 0.758 5.077 4.320 -0.000 0.000 0.296 839 A C -1.454 176.041 177.584 -0.148 0.000 1.039 839 A CA -0.779 51.273 52.037 0.025 0.000 0.698 839 A CB 0.840 19.858 19.000 0.029 0.000 1.261 839 A HN 1.000 nan 8.150 nan 0.000 0.405 840 H N 0.107 119.233 119.070 0.095 0.000 2.821 840 H HA 0.816 5.372 4.556 -0.000 0.000 0.373 840 H C -0.069 175.293 175.328 0.056 0.000 1.165 840 H CA 0.203 56.229 56.048 -0.038 0.000 1.154 840 H CB 2.153 31.784 29.762 -0.220 0.000 1.765 840 H HN 1.004 nan 8.280 nan 0.000 0.549 841 A N 1.569 124.418 122.820 0.047 0.000 2.371 841 A HA 0.448 4.768 4.320 -0.000 0.000 0.311 841 A C -1.404 176.216 177.584 0.060 0.000 1.068 841 A CA -0.719 51.420 52.037 0.169 0.000 0.744 841 A CB 1.222 20.283 19.000 0.103 0.000 1.239 841 A HN 0.588 nan 8.150 nan 0.000 0.435 842 W N 2.045 123.453 121.300 0.181 0.000 2.349 842 W HA 0.431 5.091 4.660 -0.000 0.000 0.309 842 W C -0.349 176.188 176.519 0.029 0.000 1.083 842 W CA -0.171 57.272 57.345 0.163 0.000 1.224 842 W CB 1.654 31.273 29.460 0.266 0.000 1.256 842 W HN 0.776 nan 8.180 nan 0.000 0.461 843 Q N 1.659 121.595 119.800 0.226 0.000 2.458 843 Q HA 0.463 4.803 4.340 -0.000 0.000 0.282 843 Q C -0.947 175.190 176.000 0.228 0.000 1.106 843 Q CA -0.945 54.951 55.803 0.154 0.000 0.814 843 Q CB 3.549 32.339 28.738 0.086 0.000 1.425 843 Q HN 0.410 nan 8.270 nan 0.000 0.437 844 H N 1.069 120.171 119.070 0.053 0.000 3.224 844 H HA 0.071 4.627 4.556 -0.000 0.000 0.331 844 H C -1.009 174.348 175.328 0.049 0.000 1.002 844 H CA -0.062 56.027 56.048 0.068 0.000 1.473 844 H CB 1.028 30.841 29.762 0.085 0.000 1.830 844 H HN 0.887 nan 8.280 nan 0.000 0.485 845 Q N 3.269 122.820 119.800 -0.414 0.000 2.453 845 Q HA -0.259 4.081 4.340 -0.000 0.000 0.294 845 Q C 0.971 176.901 176.000 -0.116 0.000 1.295 845 Q CA 1.253 56.869 55.803 -0.311 0.000 0.853 845 Q CB -1.313 27.163 28.738 -0.436 0.000 1.193 845 Q HN 1.194 nan 8.270 nan 0.000 0.461 846 G N -0.393 108.374 108.800 -0.055 0.000 2.268 846 G HA2 -0.359 3.601 3.960 -0.000 0.000 0.240 846 G HA3 -0.359 3.601 3.960 -0.000 0.000 0.240 846 G C 0.073 174.975 174.900 0.003 0.000 1.010 846 G CA 0.365 45.454 45.100 -0.019 0.000 0.618 846 G HN 0.351 nan 8.290 nan 0.000 0.516 847 K N 1.460 121.868 120.400 0.014 0.000 2.156 847 K HA 0.601 4.921 4.320 -0.000 0.000 0.271 847 K C -0.287 176.325 176.600 0.019 0.000 0.995 847 K CA -0.057 56.243 56.287 0.022 0.000 0.890 847 K CB 0.792 33.311 32.500 0.032 0.000 1.073 847 K HN 0.016 nan 8.250 nan 0.000 0.454 848 T N 5.833 120.388 114.554 0.003 0.000 2.727 848 T HA 0.197 4.547 4.350 -0.000 0.000 0.298 848 T C 1.173 175.813 174.700 -0.100 0.000 0.942 848 T CA -0.413 61.684 62.100 -0.004 0.000 0.997 848 T CB 0.365 69.249 68.868 0.027 0.000 0.917 848 T HN 0.536 nan 8.240 nan 0.000 0.487 849 L N 2.344 123.404 121.223 -0.273 0.000 2.102 849 L HA 0.314 4.654 4.340 -0.000 0.000 0.202 849 L C -0.013 176.350 176.870 -0.846 0.000 1.076 849 L CA 0.967 55.368 54.840 -0.731 0.000 0.761 849 L CB -0.029 41.190 42.059 -1.400 0.000 0.921 849 L HN 0.514 nan 8.230 nan 0.000 0.444 850 F N -1.389 118.523 119.950 -0.064 0.000 2.626 850 F HA 0.595 5.122 4.527 -0.000 0.000 0.311 850 F C -0.509 175.399 175.800 0.180 0.000 1.088 850 F CA -0.884 57.044 58.000 -0.119 0.000 0.949 850 F CB 1.928 40.532 39.000 -0.661 0.000 1.322 850 F HN -0.344 nan 8.300 nan 0.000 0.461 851 I N 1.364 122.179 120.570 0.407 0.000 2.533 851 I HA 0.396 4.566 4.170 -0.000 0.000 0.290 851 I C -0.963 175.424 176.117 0.451 0.000 1.056 851 I CA -0.578 60.981 61.300 0.433 0.000 1.057 851 I CB 2.269 40.433 38.000 0.273 0.000 1.240 851 I HN 0.562 nan 8.210 nan 0.000 0.423 852 S N 6.718 122.777 115.700 0.599 0.000 2.552 852 S HA 0.579 5.049 4.470 -0.000 0.000 0.314 852 S C -0.778 174.074 174.600 0.420 0.000 1.099 852 S CA -0.677 57.844 58.200 0.533 0.000 1.070 852 S CB 0.778 64.415 63.200 0.729 0.000 0.998 852 S HN 0.572 nan 8.310 nan 0.000 0.474 853 R N 3.563 124.229 120.500 0.277 0.000 2.437 853 R HA 0.554 4.894 4.340 -0.000 0.000 0.310 853 R C -0.644 175.730 176.300 0.124 0.000 0.955 853 R CA -0.769 55.450 56.100 0.198 0.000 0.851 853 R CB 1.854 32.242 30.300 0.148 0.000 1.161 853 R HN 0.561 nan 8.270 nan 0.000 0.446 854 K N 0.675 121.138 120.400 0.106 0.000 2.378 854 K HA 0.538 4.858 4.320 -0.000 0.000 0.244 854 K C -0.663 175.907 176.600 -0.051 0.000 1.039 854 K CA -0.956 55.307 56.287 -0.040 0.000 0.863 854 K CB 2.393 34.807 32.500 -0.142 0.000 1.326 854 K HN 0.615 nan 8.250 nan 0.000 0.460 855 T N -1.393 113.051 114.554 -0.182 0.000 2.952 855 T HA 0.532 4.881 4.350 -0.000 0.000 0.305 855 T C -1.456 173.131 174.700 -0.188 0.000 1.064 855 T CA -0.772 61.276 62.100 -0.087 0.000 1.008 855 T CB 0.418 69.268 68.868 -0.029 0.000 1.078 855 T HN 0.412 nan 8.240 nan 0.000 0.459 856 Y N 1.125 121.408 120.300 -0.028 0.000 2.350 856 Y HA 0.717 5.267 4.550 -0.000 0.000 0.338 856 Y C 0.395 176.241 175.900 -0.090 0.000 0.961 856 Y CA -1.114 56.978 58.100 -0.014 0.000 1.100 856 Y CB 2.091 40.571 38.460 0.032 0.000 1.179 856 Y HN 0.817 nan 8.280 nan 0.000 0.454 857 R N 4.079 124.619 120.500 0.066 0.000 2.451 857 R HA 0.677 5.017 4.340 -0.000 0.000 0.307 857 R C -1.993 174.262 176.300 -0.076 0.000 0.965 857 R CA -0.405 55.681 56.100 -0.023 0.000 0.865 857 R CB 0.689 30.982 30.300 -0.012 0.000 1.174 857 R HN 0.810 nan 8.270 nan 0.000 0.455 858 I N 5.239 125.710 120.570 -0.165 0.000 2.330 858 I HA 0.242 4.412 4.170 -0.000 0.000 0.289 858 I C -0.256 175.757 176.117 -0.173 0.000 1.001 858 I CA -0.787 60.349 61.300 -0.274 0.000 1.193 858 I CB 1.375 39.039 38.000 -0.559 0.000 1.345 858 I HN 0.705 nan 8.210 nan 0.000 0.461 859 D N 4.439 124.771 120.400 -0.113 0.000 2.549 859 D HA 0.230 4.870 4.640 -0.000 0.000 0.270 859 D C 1.261 177.542 176.300 -0.031 0.000 1.181 859 D CA -0.791 53.175 54.000 -0.056 0.000 1.070 859 D CB 0.874 41.658 40.800 -0.028 0.000 1.154 859 D HN 0.474 nan 8.370 nan 0.000 0.602 860 G N -1.374 107.418 108.800 -0.014 0.000 2.625 860 G HA2 -0.139 3.821 3.960 -0.000 0.000 0.214 860 G HA3 -0.139 3.821 3.960 -0.000 0.000 0.214 860 G C 1.090 175.991 174.900 0.002 0.000 1.132 860 G CA 0.942 46.042 45.100 0.000 0.000 0.782 860 G HN 0.533 nan 8.290 nan 0.000 0.538 861 S N -1.215 114.487 115.700 0.003 0.000 2.575 861 S HA 0.384 4.854 4.470 -0.000 0.000 0.215 861 S C 1.747 176.385 174.600 0.063 0.000 0.966 861 S CA 0.882 59.090 58.200 0.014 0.000 0.911 861 S CB 0.138 63.341 63.200 0.005 0.000 0.780 861 S HN 1.380 nan 8.310 nan 0.000 0.514 862 G N 0.651 109.508 108.800 0.094 0.000 2.143 862 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.249 862 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.249 862 G C -0.251 174.767 174.900 0.197 0.000 0.981 862 G CA 0.045 45.276 45.100 0.218 0.000 0.665 862 G HN 0.602 nan 8.290 nan 0.000 0.528 863 Q N -0.494 119.357 119.800 0.084 0.000 2.241 863 Q HA 0.667 5.007 4.340 -0.000 0.000 0.254 863 Q C 0.147 176.157 176.000 0.017 0.000 0.917 863 Q CA -0.401 55.455 55.803 0.087 0.000 0.919 863 Q CB 1.598 30.383 28.738 0.077 0.000 1.237 863 Q HN 0.417 nan 8.270 nan 0.000 0.434 864 M N 2.131 121.773 119.600 0.069 0.000 2.114 864 M HA 0.556 5.036 4.480 -0.000 0.000 0.332 864 M C -1.500 174.887 176.300 0.146 0.000 1.014 864 M CA -0.513 54.808 55.300 0.034 0.000 0.956 864 M CB 1.088 33.704 32.600 0.027 0.000 1.551 864 M HN 0.710 nan 8.290 nan 0.000 0.427 865 A N 6.830 129.710 122.820 0.099 0.000 2.288 865 A HA 0.765 5.085 4.320 -0.000 0.000 0.320 865 A C -0.933 176.694 177.584 0.071 0.000 1.217 865 A CA -0.670 51.429 52.037 0.103 0.000 0.840 865 A CB 0.509 19.550 19.000 0.068 0.000 1.179 865 A HN 0.917 nan 8.150 nan 0.000 0.504 866 I N 1.538 122.137 120.570 0.048 0.000 2.474 866 I HA 0.433 4.603 4.170 -0.000 0.000 0.294 866 I C -0.132 175.889 176.117 -0.160 0.000 1.005 866 I CA -0.303 60.937 61.300 -0.099 0.000 1.113 866 I CB 2.458 40.424 38.000 -0.057 0.000 1.289 866 I HN 0.507 nan 8.210 nan 0.000 0.436 867 T N 5.225 119.632 114.554 -0.244 0.000 2.841 867 T HA 0.543 4.893 4.350 -0.000 0.000 0.285 867 T C -0.636 173.861 174.700 -0.338 0.000 0.991 867 T CA -0.400 61.549 62.100 -0.251 0.000 0.966 867 T CB 1.732 70.546 68.868 -0.091 0.000 0.962 867 T HN 0.216 nan 8.240 nan 0.000 0.438 868 V N 4.014 123.600 119.914 -0.547 0.000 2.540 868 V HA 0.545 4.665 4.120 -0.000 0.000 0.302 868 V C -0.691 175.230 176.094 -0.288 0.000 1.035 868 V CA -0.907 61.103 62.300 -0.483 0.000 0.873 868 V CB 2.042 33.325 31.823 -0.901 0.000 0.992 868 V HN 0.831 nan 8.190 nan 0.000 0.428 869 D N 3.303 123.704 120.400 0.003 0.000 2.549 869 D HA 0.520 5.160 4.640 -0.000 0.000 0.251 869 D C -1.052 175.376 176.300 0.213 0.000 1.153 869 D CA -0.105 53.996 54.000 0.168 0.000 0.861 869 D CB 2.781 43.705 40.800 0.207 0.000 1.207 869 D HN 0.269 nan 8.370 nan 0.000 0.543 870 V N 2.192 122.270 119.914 0.273 0.000 2.628 870 V HA 0.352 4.472 4.120 -0.000 0.000 0.306 870 V C 0.046 176.291 176.094 0.251 0.000 1.045 870 V CA -0.698 61.775 62.300 0.289 0.000 0.905 870 V CB 2.511 34.537 31.823 0.339 0.000 0.997 870 V HN 0.374 nan 8.190 nan 0.000 0.436 871 E N 2.173 122.509 120.200 0.226 0.000 2.222 871 E HA 0.635 4.985 4.350 -0.000 0.000 0.267 871 E C -1.611 175.114 176.600 0.209 0.000 0.884 871 E CA -0.621 55.890 56.400 0.185 0.000 0.764 871 E CB 2.658 32.449 29.700 0.151 0.000 1.169 871 E HN 0.412 nan 8.360 nan 0.000 0.413 872 V N 2.076 122.113 119.914 0.207 0.000 2.409 872 V HA 0.380 4.500 4.120 -0.000 0.000 0.291 872 V C 0.085 176.276 176.094 0.161 0.000 1.020 872 V CA -0.932 61.513 62.300 0.242 0.000 0.848 872 V CB 1.446 33.445 31.823 0.292 0.000 0.990 872 V HN 0.838 nan 8.190 nan 0.000 0.430 873 A N 3.524 126.399 122.820 0.092 0.000 2.548 873 A HA 0.249 4.569 4.320 -0.000 0.000 0.247 873 A C 1.648 179.300 177.584 0.114 0.000 1.067 873 A CA 0.653 52.730 52.037 0.066 0.000 0.757 873 A CB 0.221 19.225 19.000 0.007 0.000 0.996 873 A HN 1.377 nan 8.150 nan 0.000 0.504 874 S N 1.396 117.160 115.700 0.107 0.000 2.442 874 S HA -0.152 4.318 4.470 -0.000 0.000 0.236 874 S C 0.847 175.525 174.600 0.130 0.000 1.007 874 S CA 1.349 59.630 58.200 0.135 0.000 0.965 874 S CB -0.264 62.994 63.200 0.097 0.000 0.773 874 S HN 0.815 nan 8.310 nan 0.000 0.504 875 D N 0.166 120.619 120.400 0.089 0.000 2.368 875 D HA 0.151 4.791 4.640 -0.000 0.000 0.218 875 D C 0.366 176.705 176.300 0.065 0.000 1.112 875 D CA -0.073 53.965 54.000 0.064 0.000 0.834 875 D CB -0.261 40.562 40.800 0.040 0.000 0.953 875 D HN 0.282 nan 8.370 nan 0.000 0.505 876 T N 1.275 115.894 114.554 0.110 0.000 2.902 876 T HA 0.422 4.772 4.350 -0.000 0.000 0.283 876 T C -2.651 172.163 174.700 0.190 0.000 1.009 876 T CA -1.991 60.203 62.100 0.157 0.000 1.051 876 T CB 1.321 70.291 68.868 0.171 0.000 0.999 876 T HN -0.170 nan 8.240 nan 0.000 0.474 877 P HA 0.117 nan 4.420 nan 0.000 0.265 877 P C -0.477 177.111 177.300 0.481 0.000 1.193 877 P CA -0.131 63.061 63.100 0.152 0.000 0.765 877 P CB 0.142 31.922 31.700 0.134 0.000 0.823 878 H N 3.213 122.643 119.070 0.600 0.000 3.001 878 H HA 0.079 4.635 4.556 -0.000 0.000 0.334 878 H C -1.837 173.847 175.328 0.594 0.000 1.034 878 H CA -1.521 54.830 56.048 0.505 0.000 1.420 878 H CB -0.876 29.125 29.762 0.399 0.000 1.405 878 H HN 0.333 nan 8.280 nan 0.000 0.593 879 P HA 0.094 nan 4.420 nan 0.000 0.274 879 P C 0.334 177.552 177.300 -0.137 0.000 1.231 879 P CA -0.331 62.836 63.100 0.112 0.000 0.790 879 P CB 0.833 32.467 31.700 -0.110 0.000 0.951 880 A N 3.267 125.763 122.820 -0.541 0.000 1.969 880 A HA -0.087 4.232 4.320 -0.000 0.000 0.218 880 A C 1.059 178.275 177.584 -0.613 0.000 1.169 880 A CA 1.414 53.095 52.037 -0.593 0.000 0.635 880 A CB -0.541 17.928 19.000 -0.886 0.000 0.810 880 A HN 0.757 nan 8.150 nan 0.000 0.445 881 R N -2.873 117.300 120.500 -0.544 0.000 2.728 881 R HA 0.717 5.056 4.340 -0.000 0.000 0.274 881 R C -1.833 174.231 176.300 -0.394 0.000 1.030 881 R CA -0.804 54.991 56.100 -0.508 0.000 0.876 881 R CB 0.667 30.607 30.300 -0.600 0.000 1.259 881 R HN 0.005 nan 8.270 nan 0.000 0.468 882 I N 1.273 121.639 120.570 -0.340 0.000 2.517 882 I HA 0.631 4.801 4.170 -0.000 0.000 0.280 882 I C -0.444 175.434 176.117 -0.399 0.000 1.061 882 I CA -0.374 60.740 61.300 -0.309 0.000 1.091 882 I CB 1.838 39.724 38.000 -0.190 0.000 1.205 882 I HN 0.975 nan 8.210 nan 0.000 0.459 883 G N 5.819 114.326 108.800 -0.487 0.000 2.650 883 G HA2 0.763 4.723 3.960 -0.000 0.000 0.310 883 G HA3 0.763 4.723 3.960 -0.000 0.000 0.310 883 G C -1.722 172.979 174.900 -0.332 0.000 1.270 883 G CA -0.575 44.279 45.100 -0.410 0.000 0.810 883 G HN 0.272 nan 8.290 nan 0.000 0.493 884 L N 0.757 121.838 121.223 -0.236 0.000 2.333 884 L HA 0.661 5.001 4.340 -0.000 0.000 0.263 884 L C -0.750 176.002 176.870 -0.196 0.000 1.014 884 L CA -1.141 53.587 54.840 -0.188 0.000 0.820 884 L CB 2.535 44.551 42.059 -0.070 0.000 1.352 884 L HN 0.809 nan 8.230 nan 0.000 0.421 885 N N 0.534 119.146 118.700 -0.147 0.000 2.610 885 N HA 0.736 5.476 4.740 -0.000 0.000 0.264 885 N C -1.236 174.268 175.510 -0.009 0.000 1.348 885 N CA -0.599 52.405 53.050 -0.076 0.000 0.819 885 N CB 2.253 40.724 38.487 -0.026 0.000 1.521 885 N HN 0.864 nan 8.380 nan 0.000 0.497 886 C N -1.615 117.706 119.300 0.035 0.000 3.292 886 C HA 0.573 5.033 4.460 -0.000 0.000 0.338 886 C C -1.231 173.606 174.990 -0.254 0.000 1.323 886 C CA -0.879 58.112 59.018 -0.045 0.000 1.232 886 C CB 0.936 28.655 27.740 -0.034 0.000 1.517 886 C HN 0.867 nan 8.230 nan 0.000 0.470 887 Q N 1.449 120.889 119.800 -0.600 0.000 2.368 887 Q HA 0.655 4.995 4.340 -0.000 0.000 0.256 887 Q C -0.985 174.724 176.000 -0.486 0.000 0.980 887 Q CA -0.419 54.780 55.803 -1.006 0.000 0.887 887 Q CB 0.816 28.609 28.738 -1.574 0.000 1.221 887 Q HN 0.762 nan 8.270 nan 0.000 0.458 888 L N 2.572 123.605 121.223 -0.316 0.000 2.395 888 L HA 0.290 4.630 4.340 -0.000 0.000 0.269 888 L C 1.226 178.019 176.870 -0.128 0.000 1.133 888 L CA -0.251 54.520 54.840 -0.116 0.000 0.812 888 L CB 0.855 42.954 42.059 0.067 0.000 1.125 888 L HN 0.810 nan 8.230 nan 0.000 0.452 889 A N 1.975 124.745 122.820 -0.083 0.000 1.930 889 A HA -0.128 4.192 4.320 -0.000 0.000 0.217 889 A C 1.173 178.731 177.584 -0.044 0.000 1.175 889 A CA 0.762 52.747 52.037 -0.087 0.000 0.627 889 A CB -0.287 18.658 19.000 -0.091 0.000 0.815 889 A HN 0.795 nan 8.150 nan 0.000 0.443 890 Q N -0.495 119.309 119.800 0.006 0.000 2.417 890 Q HA 0.434 4.774 4.340 -0.000 0.000 0.241 890 Q C -1.127 174.897 176.000 0.040 0.000 1.008 890 Q CA 0.370 56.177 55.803 0.006 0.000 0.901 890 Q CB 0.841 29.604 28.738 0.042 0.000 1.259 890 Q HN 0.167 nan 8.270 nan 0.000 0.489 891 V N 2.557 122.458 119.914 -0.021 0.000 2.567 891 V HA 0.771 4.891 4.120 -0.000 0.000 0.298 891 V C -0.845 175.198 176.094 -0.084 0.000 1.047 891 V CA -0.171 62.144 62.300 0.024 0.000 0.880 891 V CB 1.161 32.996 31.823 0.021 0.000 1.009 891 V HN 0.928 nan 8.190 nan 0.000 0.429 892 A N 3.202 125.931 122.820 -0.151 0.000 2.347 892 A HA 0.911 5.231 4.320 -0.000 0.000 0.301 892 A C 0.535 178.141 177.584 0.035 0.000 1.163 892 A CA -0.311 51.600 52.037 -0.211 0.000 0.860 892 A CB 1.566 20.219 19.000 -0.579 0.000 1.367 892 A HN 0.680 nan 8.150 nan 0.000 0.461 893 E N -0.154 120.059 120.200 0.023 0.000 2.102 893 E HA 0.094 4.444 4.350 -0.000 0.000 0.190 893 E C 0.393 177.075 176.600 0.135 0.000 0.971 893 E CA 1.071 57.516 56.400 0.075 0.000 0.821 893 E CB 0.171 29.892 29.700 0.036 0.000 0.777 893 E HN 0.512 nan 8.360 nan 0.000 0.460 894 R N -0.574 120.021 120.500 0.158 0.000 2.854 894 R HA 0.591 4.931 4.340 -0.000 0.000 0.271 894 R C -1.099 175.395 176.300 0.324 0.000 0.996 894 R CA -0.928 55.294 56.100 0.204 0.000 0.961 894 R CB 2.331 32.716 30.300 0.141 0.000 1.182 894 R HN -0.179 nan 8.270 nan 0.000 0.479 895 V N 1.891 122.003 119.914 0.330 0.000 2.531 895 V HA 0.359 4.479 4.120 -0.000 0.000 0.301 895 V C -0.432 175.938 176.094 0.460 0.000 1.034 895 V CA -0.909 61.624 62.300 0.389 0.000 0.865 895 V CB 1.816 33.821 31.823 0.303 0.000 0.995 895 V HN 0.696 nan 8.190 nan 0.000 0.424 896 N N 4.134 123.091 118.700 0.428 0.000 2.295 896 N HA 0.555 5.295 4.740 -0.000 0.000 0.293 896 N C -1.501 174.281 175.510 0.453 0.000 1.040 896 N CA -0.422 52.846 53.050 0.364 0.000 0.840 896 N CB 2.947 41.541 38.487 0.178 0.000 1.468 896 N HN 0.826 nan 8.380 nan 0.000 0.478 897 W N 3.076 124.432 121.300 0.094 0.000 3.137 897 W HA 0.589 5.249 4.660 -0.000 0.000 0.324 897 W C -2.183 174.333 176.519 -0.006 0.000 1.253 897 W CA -1.080 56.305 57.345 0.067 0.000 1.183 897 W CB 0.703 30.241 29.460 0.131 0.000 1.424 897 W HN 0.261 nan 8.180 nan 0.000 0.566 898 L N 3.973 125.201 121.223 0.008 0.000 2.318 898 L HA 0.933 5.273 4.340 -0.000 0.000 0.277 898 L C -0.037 176.763 176.870 -0.117 0.000 1.008 898 L CA 0.367 55.038 54.840 -0.282 0.000 0.846 898 L CB 0.837 42.783 42.059 -0.189 0.000 1.220 898 L HN 1.046 nan 8.230 nan 0.000 0.423 899 G N 3.720 112.354 108.800 -0.277 0.000 2.356 899 G HA2 0.210 4.170 3.960 -0.000 0.000 0.281 899 G HA3 0.210 4.170 3.960 -0.000 0.000 0.281 899 G C -1.647 173.391 174.900 0.229 0.000 1.246 899 G CA -1.035 44.127 45.100 0.103 0.000 0.889 899 G HN 0.442 nan 8.290 nan 0.000 0.486 900 L N 1.035 122.476 121.223 0.364 0.000 2.380 900 L HA 0.622 4.962 4.340 -0.000 0.000 0.273 900 L C 1.054 178.027 176.870 0.171 0.000 1.138 900 L CA 0.673 55.664 54.840 0.252 0.000 0.832 900 L CB 0.730 42.865 42.059 0.127 0.000 1.124 900 L HN 1.152 nan 8.230 nan 0.000 0.454 901 G N 2.706 111.393 108.800 -0.189 0.000 2.427 901 G HA2 0.286 4.246 3.960 -0.000 0.000 0.306 901 G HA3 0.286 4.246 3.960 -0.000 0.000 0.306 901 G C -2.763 171.393 174.900 -1.240 0.000 1.280 901 G CA -0.280 44.355 45.100 -0.774 0.000 0.837 901 G HN 0.310 nan 8.290 nan 0.000 0.482 902 P HA 0.122 nan 4.420 nan 0.000 0.239 902 P C 0.513 177.596 177.300 -0.362 0.000 1.188 902 P CA 0.498 62.962 63.100 -1.060 0.000 0.794 902 P CB 0.571 31.793 31.700 -0.797 0.000 0.937 903 Q N 0.571 120.168 119.800 -0.338 0.000 2.318 903 Q HA 0.128 4.468 4.340 -0.000 0.000 0.222 903 Q C 0.377 176.257 176.000 -0.200 0.000 1.003 903 Q CA -0.531 55.150 55.803 -0.204 0.000 0.936 903 Q CB 0.664 29.310 28.738 -0.152 0.000 1.204 903 Q HN 0.121 nan 8.270 nan 0.000 0.524 904 E N 1.458 121.553 120.200 -0.176 0.000 2.558 904 E HA -0.123 4.227 4.350 -0.000 0.000 0.255 904 E C -1.176 175.343 176.600 -0.134 0.000 0.968 904 E CA 0.224 56.512 56.400 -0.186 0.000 0.939 904 E CB 0.185 29.843 29.700 -0.070 0.000 0.921 904 E HN 0.533 nan 8.360 nan 0.000 0.477 905 N N 3.051 121.595 118.700 -0.260 0.000 2.264 905 N HA 0.336 5.076 4.740 -0.000 0.000 0.288 905 N C -1.805 173.478 175.510 -0.379 0.000 1.094 905 N CA -0.680 52.267 53.050 -0.172 0.000 0.817 905 N CB 0.804 39.208 38.487 -0.138 0.000 1.604 905 N HN 0.240 nan 8.380 nan 0.000 0.473 906 Y N 0.049 120.249 120.300 -0.167 0.000 2.630 906 Y HA 0.497 5.047 4.550 -0.000 0.000 0.337 906 Y C -1.598 174.217 175.900 -0.142 0.000 1.051 906 Y CA -2.103 55.882 58.100 -0.192 0.000 1.121 906 Y CB 1.793 40.134 38.460 -0.199 0.000 1.299 906 Y HN 0.447 nan 8.280 nan 0.000 0.498 907 P HA -0.156 nan 4.420 nan 0.000 0.216 907 P C 0.268 177.459 177.300 -0.182 0.000 1.150 907 P CA 2.007 65.117 63.100 0.016 0.000 0.843 907 P CB 0.208 32.003 31.700 0.158 0.000 0.787 908 D N -2.271 117.844 120.400 -0.475 0.000 2.368 908 D HA 0.035 4.675 4.640 -0.000 0.000 0.218 908 D C 0.613 176.780 176.300 -0.221 0.000 1.112 908 D CA -0.026 53.534 54.000 -0.733 0.000 0.834 908 D CB -0.179 39.880 40.800 -1.236 0.000 0.953 908 D HN 0.112 nan 8.370 nan 0.000 0.505 909 R N 1.058 121.513 120.500 -0.076 0.000 2.684 909 R HA 0.201 4.541 4.340 -0.000 0.000 0.252 909 R C -0.643 175.684 176.300 0.046 0.000 1.628 909 R CA -0.160 55.953 56.100 0.021 0.000 1.622 909 R CB 0.090 30.405 30.300 0.025 0.000 1.418 909 R HN 0.101 nan 8.270 nan 0.000 0.697 910 L N -1.741 119.519 121.223 0.062 0.000 3.521 910 L HA 0.326 4.666 4.340 -0.000 0.000 0.323 910 L C 1.279 178.207 176.870 0.098 0.000 1.268 910 L CA 0.083 54.958 54.840 0.059 0.000 1.064 910 L CB 0.191 42.267 42.059 0.029 0.000 1.455 910 L HN 0.094 nan 8.230 nan 0.000 0.622 911 T N -2.593 112.045 114.554 0.141 0.000 2.915 911 T HA 0.022 4.372 4.350 -0.000 0.000 0.269 911 T C 1.737 176.528 174.700 0.152 0.000 1.071 911 T CA 1.296 63.505 62.100 0.182 0.000 1.132 911 T CB -0.276 68.737 68.868 0.241 0.000 0.878 911 T HN 0.399 nan 8.240 nan 0.000 0.479 912 A N 1.392 124.305 122.820 0.154 0.000 2.119 912 A HA 0.662 4.982 4.320 -0.000 0.000 0.216 912 A C 1.686 179.376 177.584 0.176 0.000 1.152 912 A CA 0.543 52.638 52.037 0.096 0.000 0.708 912 A CB -0.900 18.251 19.000 0.253 0.000 0.805 912 A HN 0.824 nan 8.150 nan 0.000 0.460 916 D N 2.939 122.737 120.400 -1.004 0.000 3.145 916 D HA 0.345 4.985 4.640 -0.000 0.000 0.345 916 D C -1.490 173.905 176.300 -1.508 0.000 1.391 916 D CA -0.669 52.583 54.000 -1.246 0.000 0.930 916 D CB 2.249 42.265 40.800 -1.307 0.000 1.451 916 D HN 0.634 nan 8.370 nan 0.000 0.555 917 R N 0.546 120.205 120.500 -1.403 0.000 2.229 917 R HA 0.475 4.815 4.340 -0.000 0.000 0.332 917 R C -1.262 174.230 176.300 -1.346 0.000 0.989 917 R CA -0.451 54.965 56.100 -1.139 0.000 0.842 917 R CB 0.485 30.391 30.300 -0.657 0.000 1.119 917 R HN 0.241 nan 8.270 nan 0.000 0.456 918 W N 2.583 123.334 121.300 -0.915 0.000 2.639 918 W HA 0.417 5.077 4.660 -0.000 0.000 0.347 918 W C -0.408 175.712 176.519 -0.664 0.000 1.067 918 W CA -0.664 56.097 57.345 -0.973 0.000 1.218 918 W CB 1.501 29.916 29.460 -1.742 0.000 1.393 918 W HN 0.314 nan 8.180 nan 0.000 0.557 919 D N 2.674 123.017 120.400 -0.096 0.000 2.602 919 D HA 0.468 5.108 4.640 -0.000 0.000 0.245 919 D C -1.286 175.109 176.300 0.159 0.000 1.325 919 D CA -0.109 53.934 54.000 0.072 0.000 0.952 919 D CB 1.093 41.905 40.800 0.019 0.000 1.317 919 D HN 0.365 nan 8.370 nan 0.000 0.577 920 L N 2.562 123.953 121.223 0.280 0.000 2.341 920 L HA 0.567 4.907 4.340 -0.000 0.000 0.254 920 L C -2.516 174.479 176.870 0.209 0.000 1.040 920 L CA -2.202 52.778 54.840 0.233 0.000 0.837 920 L CB 2.577 44.808 42.059 0.286 0.000 1.425 920 L HN 0.136 nan 8.230 nan 0.000 0.414 921 P HA 0.146 nan 4.420 nan 0.000 0.282 921 P C 0.455 177.839 177.300 0.139 0.000 1.249 921 P CA -0.465 62.714 63.100 0.132 0.000 0.806 921 P CB 1.098 32.854 31.700 0.094 0.000 0.984 922 L N 3.468 124.778 121.223 0.144 0.000 2.089 922 L HA -0.280 4.060 4.340 -0.000 0.000 0.213 922 L C 2.093 179.021 176.870 0.096 0.000 1.079 922 L CA 2.675 57.591 54.840 0.127 0.000 0.758 922 L CB -1.416 40.734 42.059 0.151 0.000 0.891 922 L HN 0.409 nan 8.230 nan 0.000 0.433 923 S N -1.710 114.047 115.700 0.095 0.000 2.400 923 S HA -0.188 4.282 4.470 -0.000 0.000 0.232 923 S C 1.597 176.268 174.600 0.119 0.000 1.025 923 S CA 1.221 59.485 58.200 0.107 0.000 0.993 923 S CB -0.783 62.469 63.200 0.087 0.000 0.808 923 S HN 0.523 nan 8.310 nan 0.000 0.478 924 D N 1.241 121.693 120.400 0.086 0.000 2.348 924 D HA 0.095 4.735 4.640 -0.000 0.000 0.216 924 D C 1.197 177.511 176.300 0.023 0.000 0.970 924 D CA 0.605 54.637 54.000 0.053 0.000 0.889 924 D CB -0.162 40.674 40.800 0.060 0.000 0.912 924 D HN 0.411 nan 8.370 nan 0.000 0.524 925 M N -0.290 119.333 119.600 0.039 0.000 2.505 925 M HA 0.087 4.567 4.480 -0.000 0.000 0.230 925 M C -0.164 176.156 176.300 0.033 0.000 1.153 925 M CA -0.054 55.227 55.300 -0.032 0.000 0.997 925 M CB -0.804 31.765 32.600 -0.052 0.000 1.606 925 M HN -0.046 nan 8.290 nan 0.000 0.481 926 Y N -0.039 120.224 120.300 -0.062 0.000 2.376 926 Y HA 0.485 5.035 4.550 -0.000 0.000 0.340 926 Y C -0.860 174.975 175.900 -0.108 0.000 0.965 926 Y CA -0.690 57.383 58.100 -0.046 0.000 1.078 926 Y CB 1.461 39.956 38.460 0.057 0.000 1.193 926 Y HN -0.097 nan 8.280 nan 0.000 0.452 927 T N 8.879 122.925 114.554 -0.847 0.000 2.788 927 T HA 0.279 4.629 4.350 -0.000 0.000 0.296 927 T C -2.705 171.199 174.700 -1.327 0.000 1.009 927 T CA -1.515 60.009 62.100 -0.961 0.000 0.949 927 T CB 1.057 69.462 68.868 -0.773 0.000 0.946 927 T HN 0.449 nan 8.240 nan 0.000 0.453 928 P HA 0.111 nan 4.420 nan 0.000 0.225 928 P C -0.661 176.456 177.300 -0.305 0.000 1.768 928 P CA -0.382 62.288 63.100 -0.717 0.000 0.943 928 P CB -0.770 30.658 31.700 -0.453 0.000 1.936 929 Y N -0.322 119.881 120.300 -0.162 0.000 2.526 929 Y HA -0.078 4.472 4.550 -0.000 0.000 0.330 929 Y C 2.263 178.193 175.900 0.050 0.000 1.156 929 Y CA -0.510 57.569 58.100 -0.035 0.000 1.419 929 Y CB 0.603 38.984 38.460 -0.131 0.000 1.250 929 Y HN -0.108 nan 8.280 nan 0.000 0.540 930 V N 3.754 123.870 119.914 0.338 0.000 2.317 930 V HA -0.329 3.791 4.120 -0.000 0.000 0.251 930 V C 0.563 176.816 176.094 0.265 0.000 1.065 930 V CA 1.598 64.079 62.300 0.301 0.000 1.049 930 V CB -0.574 31.469 31.823 0.366 0.000 0.651 930 V HN 0.603 nan 8.190 nan 0.000 0.450 931 F N 3.237 123.221 119.950 0.055 0.000 2.361 931 F HA 0.525 5.052 4.527 -0.000 0.000 0.364 931 F C -2.418 173.373 175.800 -0.015 0.000 1.120 931 F CA -3.283 54.694 58.000 -0.037 0.000 1.102 931 F CB 0.923 39.788 39.000 -0.224 0.000 1.183 931 F HN -0.013 nan 8.300 nan 0.000 0.476 932 P HA 0.312 nan 4.420 nan 0.000 0.275 932 P C -1.116 175.895 177.300 -0.482 0.000 1.228 932 P CA -0.089 62.768 63.100 -0.406 0.000 0.786 932 P CB 1.484 32.987 31.700 -0.328 0.000 0.927 933 S N -0.401 115.197 115.700 -0.172 0.000 2.703 933 S HA 0.419 4.889 4.470 -0.000 0.000 0.273 933 S C -0.828 173.760 174.600 -0.019 0.000 1.178 933 S CA -0.935 57.207 58.200 -0.097 0.000 0.838 933 S CB 0.300 63.471 63.200 -0.049 0.000 1.178 933 S HN 0.343 nan 8.310 nan 0.000 0.494 934 E N 1.285 121.485 120.200 -0.001 0.000 2.529 934 E HA 0.352 4.702 4.350 -0.000 0.000 0.259 934 E C -0.152 176.492 176.600 0.072 0.000 0.966 934 E CA 0.938 57.362 56.400 0.040 0.000 0.937 934 E CB -0.403 29.344 29.700 0.078 0.000 0.923 934 E HN 0.780 nan 8.360 nan 0.000 0.468 935 N N 1.602 120.376 118.700 0.125 0.000 3.116 935 N HA 0.534 5.274 4.740 -0.000 0.000 0.244 935 N C 0.299 175.860 175.510 0.086 0.000 1.485 935 N CA -0.618 52.541 53.050 0.181 0.000 0.884 935 N CB 0.792 39.368 38.487 0.148 0.000 1.415 935 N HN 0.645 nan 8.380 nan 0.000 0.524 936 G N -1.438 107.377 108.800 0.025 0.000 2.179 936 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.260 936 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.260 936 G C -0.168 174.493 174.900 -0.400 0.000 0.977 936 G CA 0.398 45.400 45.100 -0.163 0.000 0.641 936 G HN 0.683 nan 8.290 nan 0.000 0.533 937 L N 1.297 122.212 121.223 -0.512 0.000 2.499 937 L HA 0.488 4.828 4.340 -0.000 0.000 0.281 937 L C 0.888 177.197 176.870 -0.935 0.000 1.234 937 L CA 0.497 54.797 54.840 -0.900 0.000 0.839 937 L CB 0.367 41.576 42.059 -1.417 0.000 1.104 937 L HN 0.355 nan 8.230 nan 0.000 0.500 938 R N 3.598 123.462 120.500 -1.061 0.000 2.575 938 R HA 0.478 4.818 4.340 -0.000 0.000 0.293 938 R C -1.193 174.743 176.300 -0.608 0.000 0.983 938 R CA -0.726 54.866 56.100 -0.847 0.000 0.887 938 R CB 0.876 30.642 30.300 -0.891 0.000 1.184 938 R HN 0.550 nan 8.270 nan 0.000 0.445 939 C N -0.009 119.082 119.300 -0.349 0.000 2.354 939 C HA 0.643 5.103 4.460 -0.000 0.000 0.381 939 C C 1.353 176.315 174.990 -0.046 0.000 1.240 939 C CA 0.359 59.257 59.018 -0.199 0.000 2.089 939 C CB 1.145 28.791 27.740 -0.157 0.000 2.234 939 C HN 1.074 nan 8.230 nan 0.000 0.544 940 G N 2.171 110.955 108.800 -0.027 0.000 2.395 940 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.300 940 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.300 940 G C -0.084 174.869 174.900 0.089 0.000 0.998 940 G CA 0.545 45.676 45.100 0.051 0.000 1.046 940 G HN 0.798 nan 8.290 nan 0.000 0.513 941 T N -0.338 114.140 114.554 -0.127 0.000 2.799 941 T HA 0.494 4.843 4.350 -0.000 0.000 0.286 941 T C 1.541 175.963 174.700 -0.463 0.000 0.973 941 T CA -0.526 61.463 62.100 -0.184 0.000 1.035 941 T CB 1.350 70.104 68.868 -0.191 0.000 0.932 941 T HN 0.385 nan 8.240 nan 0.000 0.469 942 R N 1.333 121.774 120.500 -0.098 0.000 2.279 942 R HA 0.261 4.601 4.340 -0.000 0.000 0.195 942 R C 0.526 176.876 176.300 0.082 0.000 0.905 942 R CA 0.170 56.260 56.100 -0.016 0.000 1.044 942 R CB 0.842 31.247 30.300 0.175 0.000 1.056 942 R HN 0.610 nan 8.270 nan 0.000 0.535 943 E N 0.953 121.222 120.200 0.115 0.000 2.321 943 E HA 0.272 4.622 4.350 -0.000 0.000 0.281 943 E C -2.043 174.709 176.600 0.253 0.000 0.910 943 E CA -0.616 55.919 56.400 0.225 0.000 0.770 943 E CB 1.824 31.623 29.700 0.165 0.000 1.225 943 E HN -0.098 nan 8.360 nan 0.000 0.417 944 L N 4.128 125.551 121.223 0.332 0.000 2.410 944 L HA 0.601 4.940 4.340 -0.000 0.000 0.270 944 L C -1.865 175.228 176.870 0.373 0.000 0.983 944 L CA -0.377 54.613 54.840 0.249 0.000 0.822 944 L CB 1.795 43.841 42.059 -0.022 0.000 1.285 944 L HN 0.465 nan 8.230 nan 0.000 0.409 945 N N 4.486 123.372 118.700 0.310 0.000 2.346 945 N HA 0.406 5.146 4.740 -0.000 0.000 0.289 945 N C -2.033 173.721 175.510 0.407 0.000 1.027 945 N CA -0.282 52.956 53.050 0.314 0.000 0.864 945 N CB 2.291 40.897 38.487 0.198 0.000 1.370 945 N HN 0.614 nan 8.380 nan 0.000 0.481 946 Y N 1.293 121.753 120.300 0.267 0.000 2.323 946 Y HA 0.419 4.969 4.550 -0.000 0.000 0.322 946 Y C 0.471 176.485 175.900 0.190 0.000 1.133 946 Y CA 0.201 58.440 58.100 0.232 0.000 1.093 946 Y CB 0.566 39.204 38.460 0.297 0.000 1.203 946 Y HN 0.868 nan 8.280 nan 0.000 0.427 947 G N 6.398 115.081 108.800 -0.196 0.000 2.528 947 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.262 947 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.262 947 G C -1.907 172.904 174.900 -0.147 0.000 1.200 947 G CA -0.062 44.891 45.100 -0.245 0.000 0.951 947 G HN 0.552 nan 8.290 nan 0.000 0.566 948 P HA 0.131 nan 4.420 nan 0.000 0.236 948 P C 0.515 177.587 177.300 -0.381 0.000 1.177 948 P CA 0.965 63.874 63.100 -0.319 0.000 0.773 948 P CB -0.051 31.379 31.700 -0.449 0.000 0.878 949 H N -0.220 118.797 119.070 -0.089 0.000 2.505 949 H HA 0.470 5.026 4.556 -0.000 0.000 0.351 949 H C 0.420 175.514 175.328 -0.389 0.000 1.151 949 H CA -0.169 55.704 56.048 -0.291 0.000 1.339 949 H CB 0.825 30.249 29.762 -0.564 0.000 1.483 949 H HN -0.048 nan 8.280 nan 0.000 0.558 950 Q N 2.724 122.276 119.800 -0.413 0.000 2.284 950 Q HA 0.221 4.561 4.340 -0.000 0.000 0.269 950 Q C -1.901 173.883 176.000 -0.360 0.000 1.026 950 Q CA -0.770 54.893 55.803 -0.233 0.000 0.831 950 Q CB 1.779 30.511 28.738 -0.010 0.000 1.322 950 Q HN 0.633 nan 8.270 nan 0.000 0.419 951 W N 3.544 124.848 121.300 0.007 0.000 2.819 951 W HA 0.597 5.257 4.660 -0.000 0.000 0.337 951 W C -0.453 176.161 176.519 0.158 0.000 1.077 951 W CA -0.792 56.534 57.345 -0.031 0.000 1.226 951 W CB 2.237 31.512 29.460 -0.307 0.000 1.419 951 W HN 0.614 nan 8.180 nan 0.000 0.502 952 R N 0.740 121.495 120.500 0.425 0.000 2.744 952 R HA 0.861 5.201 4.340 -0.000 0.000 0.279 952 R C 0.131 176.707 176.300 0.460 0.000 0.977 952 R CA -0.586 55.770 56.100 0.427 0.000 0.906 952 R CB 2.364 32.830 30.300 0.277 0.000 1.197 952 R HN 0.705 nan 8.270 nan 0.000 0.463 953 G N 0.499 109.584 108.800 0.475 0.000 2.513 953 G HA2 0.105 4.065 3.960 -0.000 0.000 0.182 953 G HA3 0.105 4.065 3.960 -0.000 0.000 0.182 953 G C -1.773 173.278 174.900 0.251 0.000 1.190 953 G CA -0.531 44.815 45.100 0.410 0.000 0.987 953 G HN 0.513 nan 8.290 nan 0.000 0.479 954 D N 0.115 120.670 120.400 0.259 0.000 2.330 954 D HA 0.649 5.289 4.640 -0.000 0.000 0.249 954 D C -0.551 175.762 176.300 0.021 0.000 1.306 954 D CA -0.425 53.593 54.000 0.029 0.000 0.956 954 D CB 0.365 41.204 40.800 0.065 0.000 1.261 954 D HN 0.580 nan 8.370 nan 0.000 0.544 955 F N -0.050 119.896 119.950 -0.007 0.000 3.016 955 F HA 0.657 5.184 4.527 -0.000 0.000 0.324 955 F C -1.386 174.373 175.800 -0.067 0.000 1.196 955 F CA -1.097 56.834 58.000 -0.115 0.000 0.929 955 F CB 0.670 39.587 39.000 -0.138 0.000 1.440 955 F HN -0.095 nan 8.300 nan 0.000 0.505 956 Q N 1.434 121.322 119.800 0.147 0.000 2.387 956 Q HA 0.677 5.017 4.340 -0.000 0.000 0.273 956 Q C -1.315 174.781 176.000 0.160 0.000 1.089 956 Q CA -0.515 55.294 55.803 0.009 0.000 0.824 956 Q CB 2.805 31.422 28.738 -0.202 0.000 1.367 956 Q HN 0.880 nan 8.270 nan 0.000 0.443 957 F N -1.181 118.658 119.950 -0.186 0.000 2.711 957 F HA 0.778 5.304 4.527 -0.000 0.000 0.313 957 F C -1.606 173.986 175.800 -0.348 0.000 1.141 957 F CA -1.084 56.765 58.000 -0.251 0.000 0.941 957 F CB 1.617 40.482 39.000 -0.225 0.000 1.349 957 F HN 0.576 nan 8.300 nan 0.000 0.464 958 N N 1.083 119.656 118.700 -0.212 0.000 2.329 958 N HA 0.693 5.433 4.740 -0.000 0.000 0.282 958 N C -2.189 173.295 175.510 -0.043 0.000 1.198 958 N CA -0.684 52.211 53.050 -0.258 0.000 0.790 958 N CB 2.505 40.832 38.487 -0.267 0.000 1.579 958 N HN 1.131 nan 8.380 nan 0.000 0.475 959 I N 0.624 121.155 120.570 -0.065 0.000 2.610 959 I HA 0.678 4.848 4.170 -0.000 0.000 0.289 959 I C -1.254 174.817 176.117 -0.076 0.000 1.163 959 I CA 0.072 61.312 61.300 -0.100 0.000 1.044 959 I CB 1.334 39.216 38.000 -0.196 0.000 1.251 959 I HN 1.068 nan 8.210 nan 0.000 0.424 960 S N 6.368 122.037 115.700 -0.052 0.000 2.714 960 S HA 0.518 4.988 4.470 -0.000 0.000 0.280 960 S C -0.350 174.183 174.600 -0.111 0.000 1.200 960 S CA -0.952 57.211 58.200 -0.061 0.000 0.900 960 S CB 1.532 64.761 63.200 0.048 0.000 1.235 960 S HN 0.621 nan 8.310 nan 0.000 0.512 961 R N -0.113 120.145 120.500 -0.403 0.000 2.427 961 R HA 0.287 4.627 4.340 -0.000 0.000 0.262 961 R C -0.979 174.970 176.300 -0.586 0.000 0.943 961 R CA 0.195 56.008 56.100 -0.479 0.000 1.081 961 R CB -0.541 29.347 30.300 -0.687 0.000 1.166 961 R HN 0.634 nan 8.270 nan 0.000 0.534 962 Y N 0.343 120.610 120.300 -0.054 0.000 2.409 962 Y HA 0.250 4.800 4.550 -0.000 0.000 0.343 962 Y C 0.782 176.428 175.900 -0.423 0.000 0.973 962 Y CA -1.171 56.804 58.100 -0.209 0.000 1.064 962 Y CB 1.478 39.771 38.460 -0.279 0.000 1.207 962 Y HN -0.098 nan 8.280 nan 0.000 0.452 963 S N 1.555 116.905 115.700 -0.584 0.000 2.603 963 S HA 0.077 4.547 4.470 -0.000 0.000 0.268 963 S C 0.865 175.131 174.600 -0.558 0.000 1.317 963 S CA -0.690 56.820 58.200 -1.150 0.000 1.012 963 S CB 1.170 63.643 63.200 -1.212 0.000 0.926 963 S HN 0.751 nan 8.310 nan 0.000 0.539 964 Q N 0.608 120.088 119.800 -0.534 0.000 2.135 964 Q HA -0.193 4.147 4.340 -0.000 0.000 0.204 964 Q C 2.176 178.042 176.000 -0.222 0.000 0.981 964 Q CA 1.775 57.409 55.803 -0.283 0.000 0.856 964 Q CB -0.500 28.109 28.738 -0.215 0.000 0.902 964 Q HN 0.938 nan 8.270 nan 0.000 0.425 965 Q N 0.653 120.295 119.800 -0.264 0.000 2.079 965 Q HA -0.201 4.139 4.340 -0.000 0.000 0.200 965 Q C 2.044 177.947 176.000 -0.162 0.000 0.974 965 Q CA 1.325 57.026 55.803 -0.170 0.000 0.840 965 Q CB 0.026 28.685 28.738 -0.132 0.000 0.898 965 Q HN 0.429 nan 8.270 nan 0.000 0.430 966 Q N 0.126 119.806 119.800 -0.200 0.000 2.050 966 Q HA -0.154 4.186 4.340 -0.000 0.000 0.202 966 Q C 2.373 178.258 176.000 -0.192 0.000 0.980 966 Q CA 1.303 56.998 55.803 -0.179 0.000 0.840 966 Q CB -0.092 28.522 28.738 -0.207 0.000 0.898 966 Q HN 0.464 nan 8.270 nan 0.000 0.424 967 L N 0.177 121.280 121.223 -0.200 0.000 2.043 967 L HA -0.236 4.104 4.340 -0.000 0.000 0.212 967 L C 2.693 179.433 176.870 -0.217 0.000 1.075 967 L CA 1.398 56.111 54.840 -0.213 0.000 0.752 967 L CB -0.386 41.578 42.059 -0.159 0.000 0.891 967 L HN 0.417 nan 8.230 nan 0.000 0.432 968 M N -0.644 118.856 119.600 -0.167 0.000 2.394 968 M HA -0.148 4.332 4.480 -0.000 0.000 0.264 968 M C 1.582 177.803 176.300 -0.133 0.000 1.073 968 M CA 1.545 56.759 55.300 -0.144 0.000 1.111 968 M CB 0.133 32.665 32.600 -0.113 0.000 1.401 968 M HN 0.192 nan 8.290 nan 0.000 0.448 969 E N -0.728 119.396 120.200 -0.128 0.000 2.452 969 E HA 0.067 4.417 4.350 -0.000 0.000 0.197 969 E C -0.251 176.298 176.600 -0.085 0.000 1.022 969 E CA 0.153 56.501 56.400 -0.088 0.000 0.890 969 E CB 0.563 30.224 29.700 -0.065 0.000 0.918 969 E HN 0.317 nan 8.360 nan 0.000 0.496 970 T N 0.830 115.302 114.554 -0.137 0.000 2.744 970 T HA 0.071 4.421 4.350 -0.000 0.000 0.291 970 T C 1.129 175.728 174.700 -0.167 0.000 0.957 970 T CA -0.312 61.706 62.100 -0.136 0.000 1.002 970 T CB 1.530 70.287 68.868 -0.186 0.000 0.919 970 T HN 0.043 nan 8.240 nan 0.000 0.468 971 S N 2.182 117.870 115.700 -0.020 0.000 2.496 971 S HA 0.038 4.508 4.470 -0.000 0.000 0.224 971 S C 0.321 174.980 174.600 0.098 0.000 0.996 971 S CA 0.350 58.609 58.200 0.098 0.000 0.927 971 S CB -0.213 63.188 63.200 0.335 0.000 0.774 971 S HN 0.746 nan 8.310 nan 0.000 0.524 972 H N 0.240 119.294 119.070 -0.026 0.000 2.851 972 H HA 0.515 5.071 4.556 -0.000 0.000 0.372 972 H C 0.944 176.236 175.328 -0.060 0.000 1.158 972 H CA -0.762 55.334 56.048 0.079 0.000 1.159 972 H CB 1.519 31.348 29.762 0.111 0.000 1.757 972 H HN 0.104 nan 8.280 nan 0.000 0.546 973 R N 1.349 121.957 120.500 0.181 0.000 2.105 973 R HA -0.182 4.158 4.340 -0.000 0.000 0.239 973 R C 1.392 177.691 176.300 -0.001 0.000 1.135 973 R CA 1.937 58.071 56.100 0.056 0.000 0.967 973 R CB -0.571 29.789 30.300 0.099 0.000 0.861 973 R HN 0.772 nan 8.270 nan 0.000 0.442 974 H N 1.587 120.659 119.070 0.003 0.000 2.489 974 H HA -0.024 4.532 4.556 -0.000 0.000 0.293 974 H C 1.540 176.787 175.328 -0.135 0.000 1.066 974 H CA 1.046 57.049 56.048 -0.075 0.000 1.305 974 H CB -0.246 29.457 29.762 -0.097 0.000 1.386 974 H HN 0.322 nan 8.280 nan 0.000 0.551 975 L N 0.900 121.690 121.223 -0.722 0.000 2.591 975 L HA 0.196 4.536 4.340 -0.000 0.000 0.228 975 L C 0.583 177.319 176.870 -0.223 0.000 1.133 975 L CA -0.104 54.447 54.840 -0.483 0.000 0.880 975 L CB -0.034 41.741 42.059 -0.474 0.000 1.033 975 L HN 0.048 nan 8.230 nan 0.000 0.450 976 L N 0.744 121.837 121.223 -0.217 0.000 2.395 976 L HA 0.217 4.557 4.340 -0.000 0.000 0.269 976 L C 0.269 177.131 176.870 -0.013 0.000 1.133 976 L CA -0.297 54.414 54.840 -0.213 0.000 0.812 976 L CB 0.607 42.355 42.059 -0.519 0.000 1.125 976 L HN 0.170 nan 8.230 nan 0.000 0.452 977 H N 1.686 120.801 119.070 0.075 0.000 2.529 977 H HA 0.610 5.166 4.556 -0.000 0.000 0.348 977 H C -0.762 174.665 175.328 0.164 0.000 1.079 977 H CA -1.193 54.916 56.048 0.103 0.000 1.198 977 H CB 1.400 31.176 29.762 0.023 0.000 1.521 977 H HN 0.698 nan 8.280 nan 0.000 0.514 978 A N 4.048 126.950 122.820 0.136 0.000 2.540 978 A HA 0.084 4.404 4.320 -0.000 0.000 0.239 978 A C 0.357 177.960 177.584 0.032 0.000 1.061 978 A CA -0.188 51.767 52.037 -0.137 0.000 0.758 978 A CB 0.012 18.916 19.000 -0.160 0.000 0.991 978 A HN 0.871 nan 8.150 nan 0.000 0.502 979 E N 1.109 121.285 120.200 -0.040 0.000 2.359 979 E HA 0.118 4.467 4.350 -0.000 0.000 0.255 979 E C 0.639 177.259 176.600 0.033 0.000 1.191 979 E CA -0.697 55.768 56.400 0.108 0.000 0.952 979 E CB 0.671 30.522 29.700 0.252 0.000 1.152 979 E HN 0.822 nan 8.360 nan 0.000 0.496 980 E N 0.229 120.448 120.200 0.032 0.000 2.065 980 E HA -0.210 4.140 4.350 -0.000 0.000 0.201 980 E C 0.923 177.474 176.600 -0.081 0.000 1.016 980 E CA 1.727 58.109 56.400 -0.031 0.000 0.818 980 E CB 0.014 29.696 29.700 -0.031 0.000 0.749 980 E HN 0.564 nan 8.360 nan 0.000 0.453 981 G N -1.358 107.349 108.800 -0.156 0.000 3.392 981 G HA2 0.250 4.210 3.960 -0.000 0.000 0.185 981 G HA3 0.250 4.210 3.960 -0.000 0.000 0.185 981 G C -0.683 174.136 174.900 -0.136 0.000 1.206 981 G CA -0.159 44.860 45.100 -0.135 0.000 0.776 981 G HN 0.098 nan 8.290 nan 0.000 0.697 982 T N 0.452 114.923 114.554 -0.139 0.000 2.807 982 T HA 0.411 4.761 4.350 -0.000 0.000 0.279 982 T C -1.556 173.008 174.700 -0.227 0.000 0.993 982 T CA -0.073 61.967 62.100 -0.100 0.000 0.970 982 T CB 1.610 70.507 68.868 0.049 0.000 0.950 982 T HN 0.309 nan 8.240 nan 0.000 0.441 983 W N 3.068 124.282 121.300 -0.144 0.000 2.361 983 W HA 0.631 5.291 4.660 -0.000 0.000 0.309 983 W C -0.433 175.968 176.519 -0.196 0.000 1.122 983 W CA -0.704 56.553 57.345 -0.146 0.000 1.208 983 W CB 0.916 30.297 29.460 -0.132 0.000 1.246 983 W HN 0.366 nan 8.180 nan 0.000 0.490 984 L N 5.422 126.680 121.223 0.058 0.000 2.362 984 L HA 0.525 4.865 4.340 -0.000 0.000 0.275 984 L C -1.000 175.794 176.870 -0.127 0.000 0.998 984 L CA -0.448 54.304 54.840 -0.146 0.000 0.820 984 L CB 1.091 42.930 42.059 -0.368 0.000 1.270 984 L HN 0.323 nan 8.230 nan 0.000 0.415 985 N N 6.943 125.549 118.700 -0.156 0.000 2.442 985 N HA 0.452 5.192 4.740 -0.000 0.000 0.274 985 N C -1.273 174.107 175.510 -0.216 0.000 1.002 985 N CA -0.343 52.606 53.050 -0.169 0.000 0.910 985 N CB 2.245 40.656 38.487 -0.127 0.000 1.244 985 N HN 0.487 nan 8.380 nan 0.000 0.492 986 I N 1.837 122.223 120.570 -0.306 0.000 2.354 986 I HA 0.266 4.435 4.170 -0.000 0.000 0.286 986 I C -0.458 175.469 176.117 -0.316 0.000 1.007 986 I CA -0.451 60.625 61.300 -0.373 0.000 1.167 986 I CB 1.396 39.032 38.000 -0.606 0.000 1.320 986 I HN 0.170 nan 8.210 nan 0.000 0.458 987 D N 4.547 124.803 120.400 -0.241 0.000 2.217 987 D HA 0.316 4.956 4.640 -0.000 0.000 0.243 987 D C 1.069 177.087 176.300 -0.471 0.000 1.054 987 D CA -0.221 53.583 54.000 -0.327 0.000 0.838 987 D CB 2.592 43.294 40.800 -0.164 0.000 1.162 987 D HN 0.694 nan 8.370 nan 0.000 0.472 988 G N 1.215 109.462 108.800 -0.922 0.000 2.408 988 G HA2 0.018 3.978 3.960 -0.000 0.000 0.215 988 G HA3 0.018 3.978 3.960 -0.000 0.000 0.215 988 G C 0.063 174.156 174.900 -1.345 0.000 1.156 988 G CA 0.568 44.881 45.100 -1.311 0.000 0.793 988 G HN 0.385 nan 8.290 nan 0.000 0.535 989 F N -1.918 117.823 119.950 -0.348 0.000 2.654 989 F HA 0.545 5.072 4.527 -0.000 0.000 0.308 989 F C -0.667 175.026 175.800 -0.179 0.000 1.108 989 F CA -1.259 56.618 58.000 -0.205 0.000 0.957 989 F CB 1.904 40.725 39.000 -0.297 0.000 1.309 989 F HN -0.072 nan 8.300 nan 0.000 0.446 990 H N 2.406 121.483 119.070 0.012 0.000 2.865 990 H HA 0.420 4.976 4.556 -0.000 0.000 0.362 990 H C -1.142 174.204 175.328 0.029 0.000 1.114 990 H CA -0.719 55.308 56.048 -0.034 0.000 1.208 990 H CB 2.488 32.210 29.762 -0.068 0.000 1.727 990 H HN 0.837 nan 8.280 nan 0.000 0.534 991 M N 2.425 122.001 119.600 -0.040 0.000 2.245 991 M HA 0.264 4.744 4.480 -0.000 0.000 0.330 991 M C 0.584 177.001 176.300 0.195 0.000 1.098 991 M CA 0.280 55.612 55.300 0.054 0.000 1.172 991 M CB 0.382 32.914 32.600 -0.112 0.000 1.467 991 M HN 0.745 nan 8.290 nan 0.000 0.454 992 G N 2.371 111.252 108.800 0.134 0.000 2.683 992 G HA2 0.330 4.290 3.960 -0.000 0.000 0.260 992 G HA3 0.330 4.290 3.960 -0.000 0.000 0.260 992 G C 0.543 175.415 174.900 -0.047 0.000 1.238 992 G CA -0.330 44.772 45.100 0.004 0.000 0.934 992 G HN 0.962 nan 8.290 nan 0.000 0.534 993 I N -2.705 117.786 120.570 -0.132 0.000 3.939 993 I HA 0.453 4.623 4.170 -0.000 0.000 0.313 993 I C 1.149 177.191 176.117 -0.125 0.000 1.274 993 I CA 0.505 61.701 61.300 -0.174 0.000 1.301 993 I CB -0.325 37.484 38.000 -0.319 0.000 1.105 993 I HN 0.970 nan 8.210 nan 0.000 0.427 994 G N 1.620 110.366 108.800 -0.090 0.000 2.598 994 G HA2 0.056 4.016 3.960 -0.000 0.000 0.244 994 G HA3 0.056 4.016 3.960 -0.000 0.000 0.244 994 G C 0.575 175.466 174.900 -0.016 0.000 1.302 994 G CA 0.103 45.190 45.100 -0.022 0.000 0.903 994 G HN 1.414 nan 8.290 nan 0.000 0.575 995 G N -2.250 106.555 108.800 0.008 0.000 2.370 995 G HA2 0.023 3.983 3.960 -0.000 0.000 0.174 995 G HA3 0.023 3.983 3.960 -0.000 0.000 0.174 995 G C 0.605 175.548 174.900 0.072 0.000 1.002 995 G CA 0.935 46.047 45.100 0.021 0.000 0.730 995 G HN 0.990 nan 8.290 nan 0.000 0.497 996 D N 1.176 121.633 120.400 0.095 0.000 2.221 996 D HA 0.132 4.772 4.640 -0.000 0.000 0.204 996 D C 0.958 177.276 176.300 0.031 0.000 0.982 996 D CA 2.079 56.192 54.000 0.188 0.000 0.857 996 D CB 0.148 41.074 40.800 0.209 0.000 0.934 996 D HN 0.836 nan 8.370 nan 0.000 0.475 997 D N -3.527 116.693 120.400 -0.300 0.000 2.653 997 D HA 0.247 4.887 4.640 -0.000 0.000 0.258 997 D C -0.854 174.929 176.300 -0.860 0.000 1.252 997 D CA -0.735 52.668 54.000 -0.995 0.000 0.777 997 D CB 0.739 40.506 40.800 -1.722 0.000 1.339 997 D HN -0.292 nan 8.370 nan 0.000 0.422 998 S N -0.181 114.808 115.700 -1.185 0.000 2.588 998 S HA 0.258 4.728 4.470 -0.000 0.000 0.245 998 S C -0.504 174.162 174.600 0.109 0.000 1.021 998 S CA -0.642 57.403 58.200 -0.259 0.000 1.006 998 S CB -0.600 62.684 63.200 0.139 0.000 0.830 998 S HN 0.615 nan 8.310 nan 0.000 0.468 999 W N 0.924 122.170 121.300 -0.090 0.000 2.036 999 W HA 0.544 5.204 4.660 -0.000 0.000 0.298 999 W C -0.037 176.442 176.519 -0.066 0.000 0.885 999 W CA -0.564 56.738 57.345 -0.072 0.000 1.488 999 W CB -0.545 28.811 29.460 -0.172 0.000 1.079 999 W HN 0.171 nan 8.180 nan 0.000 0.506 1000 S N -1.008 114.608 115.700 -0.140 0.000 2.596 1000 S HA 0.659 5.129 4.470 -0.000 0.000 0.270 1000 S C -3.156 171.394 174.600 -0.082 0.000 1.155 1000 S CA -1.659 56.489 58.200 -0.087 0.000 0.827 1000 S CB 1.738 64.899 63.200 -0.066 0.000 1.130 1000 S HN -0.204 nan 8.310 nan 0.000 0.467 1001 P HA 0.248 nan 4.420 nan 0.000 0.266 1001 P C 0.229 177.578 177.300 0.081 0.000 1.215 1001 P CA -0.129 63.004 63.100 0.055 0.000 0.763 1001 P CB 0.688 32.333 31.700 -0.090 0.000 0.806 1002 S N 0.689 116.464 115.700 0.124 0.000 2.819 1002 S HA 0.163 4.633 4.470 -0.000 0.000 0.249 1002 S C 0.206 174.884 174.600 0.131 0.000 1.030 1002 S CA -0.363 57.885 58.200 0.080 0.000 1.052 1002 S CB -0.262 62.935 63.200 -0.005 0.000 1.017 1002 S HN 0.117 nan 8.310 nan 0.000 0.576 1003 V N 4.232 124.267 119.914 0.202 0.000 2.408 1003 V HA 0.414 4.534 4.120 -0.000 0.000 0.267 1003 V C 0.783 177.036 176.094 0.266 0.000 1.047 1003 V CA -0.475 61.942 62.300 0.195 0.000 0.937 1003 V CB 0.636 32.532 31.823 0.123 0.000 0.999 1003 V HN 0.650 nan 8.190 nan 0.000 0.472 1004 S N 4.439 120.324 115.700 0.308 0.000 2.579 1004 S HA 0.332 4.802 4.470 -0.000 0.000 0.275 1004 S C 1.495 176.241 174.600 0.243 0.000 1.345 1004 S CA -0.016 58.348 58.200 0.274 0.000 1.031 1004 S CB 1.303 64.630 63.200 0.212 0.000 0.892 1004 S HN 1.044 nan 8.310 nan 0.000 0.529 1005 A N 1.920 124.827 122.820 0.145 0.000 1.917 1005 A HA -0.190 4.130 4.320 -0.000 0.000 0.219 1005 A C 1.907 179.491 177.584 0.001 0.000 1.182 1005 A CA 1.981 54.081 52.037 0.106 0.000 0.633 1005 A CB -1.229 17.814 19.000 0.072 0.000 0.819 1005 A HN 0.962 nan 8.150 nan 0.000 0.448 1006 E N -1.050 119.055 120.200 -0.158 0.000 2.396 1006 E HA -0.117 4.233 4.350 -0.000 0.000 0.200 1006 E C 0.717 176.994 176.600 -0.537 0.000 1.023 1006 E CA 1.052 57.216 56.400 -0.393 0.000 0.857 1006 E CB -0.366 28.887 29.700 -0.746 0.000 0.775 1006 E HN 0.794 nan 8.360 nan 0.000 0.525 1007 F N 0.549 120.546 119.950 0.078 0.000 2.654 1007 F HA 0.218 4.745 4.527 -0.000 0.000 0.303 1007 F C 0.545 176.379 175.800 0.057 0.000 1.099 1007 F CA -0.521 57.524 58.000 0.075 0.000 1.270 1007 F CB 0.435 39.479 39.000 0.073 0.000 1.024 1007 F HN -0.168 nan 8.300 nan 0.000 0.548 1008 Q N 1.326 121.238 119.800 0.186 0.000 2.230 1008 Q HA 0.415 4.755 4.340 -0.000 0.000 0.248 1008 Q C -0.227 175.799 176.000 0.043 0.000 0.915 1008 Q CA -0.568 55.321 55.803 0.144 0.000 0.900 1008 Q CB 2.050 30.956 28.738 0.281 0.000 1.229 1008 Q HN 0.260 nan 8.270 nan 0.000 0.439 1009 L N 2.421 123.648 121.223 0.007 0.000 2.399 1009 L HA 0.113 4.453 4.340 -0.000 0.000 0.257 1009 L C 0.670 177.456 176.870 -0.140 0.000 1.236 1009 L CA -0.065 54.754 54.840 -0.036 0.000 1.144 1009 L CB -0.303 41.648 42.059 -0.180 0.000 1.379 1009 L HN 0.696 nan 8.230 nan 0.000 0.414 1010 S N -0.985 114.568 115.700 -0.245 0.000 2.568 1010 S HA 0.159 4.628 4.470 -0.000 0.000 0.232 1010 S C 1.568 176.083 174.600 -0.140 0.000 0.975 1010 S CA 0.161 58.061 58.200 -0.500 0.000 0.949 1010 S CB 0.742 63.633 63.200 -0.515 0.000 0.829 1010 S HN 0.524 nan 8.310 nan 0.000 0.479 1011 A N 1.363 124.144 122.820 -0.064 0.000 2.119 1011 A HA 0.490 4.810 4.320 -0.000 0.000 0.217 1011 A C 2.069 179.502 177.584 -0.251 0.000 1.153 1011 A CA 1.070 52.950 52.037 -0.262 0.000 0.692 1011 A CB -1.177 17.474 19.000 -0.581 0.000 0.799 1011 A HN 1.478 nan 8.150 nan 0.000 0.458 1012 G N -1.425 107.311 108.800 -0.106 0.000 2.417 1012 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.233 1012 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.233 1012 G C 0.434 175.297 174.900 -0.061 0.000 1.103 1012 G CA 0.388 45.475 45.100 -0.021 0.000 0.647 1012 G HN 0.660 nan 8.290 nan 0.000 0.512 1013 R N -0.598 119.705 120.500 -0.328 0.000 2.574 1013 R HA 0.645 4.985 4.340 -0.000 0.000 0.288 1013 R C -1.643 174.335 176.300 -0.538 0.000 1.004 1013 R CA -0.582 55.382 56.100 -0.226 0.000 0.895 1013 R CB 1.593 31.825 30.300 -0.112 0.000 1.191 1013 R HN 0.231 nan 8.270 nan 0.000 0.444 1014 Y N 0.314 120.617 120.300 0.005 0.000 2.477 1014 Y HA 0.345 4.895 4.550 -0.000 0.000 0.347 1014 Y C -0.378 175.686 175.900 0.273 0.000 0.981 1014 Y CA -0.853 57.235 58.100 -0.020 0.000 1.033 1014 Y CB 2.259 40.580 38.460 -0.231 0.000 1.245 1014 Y HN 0.581 nan 8.280 nan 0.000 0.455 1015 H N 2.718 122.071 119.070 0.471 0.000 2.679 1015 H HA 0.610 5.166 4.556 -0.000 0.000 0.360 1015 H C -1.716 173.979 175.328 0.610 0.000 1.105 1015 H CA -0.923 55.375 56.048 0.416 0.000 1.196 1015 H CB 1.211 31.115 29.762 0.235 0.000 1.636 1015 H HN 0.585 nan 8.280 nan 0.000 0.531 1016 Y N 1.191 121.277 120.300 -0.357 0.000 2.638 1016 Y HA 0.583 5.133 4.550 -0.000 0.000 0.335 1016 Y C -1.910 173.795 175.900 -0.324 0.000 1.155 1016 Y CA -1.082 56.889 58.100 -0.215 0.000 1.046 1016 Y CB 1.436 39.855 38.460 -0.068 0.000 1.303 1016 Y HN 0.661 nan 8.280 nan 0.000 0.460 1017 Q N 2.311 122.078 119.800 -0.056 0.000 2.418 1017 Q HA 0.810 5.150 4.340 -0.000 0.000 0.282 1017 Q C -1.811 174.254 176.000 0.108 0.000 1.044 1017 Q CA -0.992 54.774 55.803 -0.061 0.000 0.813 1017 Q CB 3.581 32.336 28.738 0.028 0.000 1.428 1017 Q HN 0.743 nan 8.270 nan 0.000 0.402 1018 L N 0.188 121.463 121.223 0.087 0.000 2.479 1018 L HA 0.762 5.102 4.340 -0.000 0.000 0.255 1018 L C -1.192 175.787 176.870 0.181 0.000 1.026 1018 L CA -1.216 53.720 54.840 0.160 0.000 0.842 1018 L CB 2.495 44.630 42.059 0.128 0.000 1.444 1018 L HN 0.345 nan 8.230 nan 0.000 0.409 1019 V N 0.289 120.342 119.914 0.233 0.000 2.531 1019 V HA 0.463 4.583 4.120 -0.000 0.000 0.301 1019 V C -1.107 175.173 176.094 0.309 0.000 1.034 1019 V CA -0.392 62.056 62.300 0.246 0.000 0.865 1019 V CB 2.039 33.980 31.823 0.197 0.000 0.995 1019 V HN 0.607 nan 8.190 nan 0.000 0.424 1023 K N 0.000 120.352 120.400 -0.080 0.000 2.780 1023 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 1023 K CA 0.000 56.253 56.287 -0.057 0.000 0.838 1023 K CB 0.000 32.473 32.500 -0.044 0.000 1.064 1023 K HN 0.000 nan 8.250 nan 0.000 0.543