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_H 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 -2.320 112.266 114.554 0.052 0.000 3.081 4 T HA 0.219 4.569 4.350 0.000 0.000 0.250 4 T C 0.922 175.654 174.700 0.052 0.000 1.100 4 T CA 0.965 63.081 62.100 0.026 0.000 1.038 4 T CB -0.375 68.506 68.868 0.023 0.000 0.962 4 T HN 0.247 nan 8.240 nan 0.000 0.516 5 D N 2.372 122.862 120.400 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 41.067 40.800 0.349 0.000 0.913 5 D HN 0.567 nan 8.370 nan 0.000 0.523 6 S N 0.066 115.859 115.700 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 1.272 64.488 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 0.048 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 -1.541 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 -1.824 121.001 122.820 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 1.741 53.780 52.037 0.003 0.000 0.646 8 A CB -0.573 18.425 19.000 -0.004 0.000 0.806 8 A HN 0.233 nan 8.150 nan 0.000 0.448 9 V N -1.024 118.876 119.914 -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 0.753 120.566 119.914 -0.168 0.000 2.250 10 V HA -0.297 3.823 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 2.242 64.327 62.300 -0.357 0.000 1.030 10 V CB -0.694 30.870 31.823 -0.432 0.000 0.643 10 V HN 0.482 nan 8.190 nan 0.000 0.445 11 L N 0.282 121.495 121.223 -0.017 0.000 2.622 11 L HA -0.104 4.236 4.340 0.000 0.000 0.233 11 L C 2.336 179.279 176.870 0.121 0.000 1.156 11 L CA 0.795 55.758 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 0.714 120.511 119.800 -0.005 0.000 2.137 12 Q HA -0.103 4.237 4.340 0.000 0.000 0.198 12 Q C 2.307 178.248 176.000 -0.098 0.000 0.960 12 Q CA 1.185 56.966 55.803 -0.037 0.000 0.847 12 Q CB 0.020 28.729 28.738 -0.050 0.000 0.915 12 Q HN 0.191 nan 8.270 nan 0.000 0.448 13 R N 0.511 120.933 120.500 -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 1.134 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 0.786 121.034 120.500 -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 -0.776 0.000 1.014 14 R CA 0.411 55.876 56.100 -1.057 0.000 0.681 14 R CB -1.231 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 1.587 177.850 176.300 -0.063 0.000 0.982 15 D CA 1.764 55.574 54.000 -0.317 0.000 0.857 15 D CB -0.138 40.264 40.800 -0.664 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 0.059 0.000 3.292 16 W HA 0.160 4.820 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 -0.216 57.257 57.345 0.213 0.000 1.663 16 W CB -0.263 29.355 29.460 0.263 0.000 1.114 16 W HN -0.164 nan 8.180 nan 0.000 0.706 17 E N 1.028 121.058 120.200 -0.285 0.000 3.306 17 E HA 0.085 4.435 4.350 0.000 0.000 0.197 17 E C -0.835 175.645 176.600 -0.200 0.000 0.980 17 E CA -0.285 56.014 56.400 -0.169 0.000 1.259 17 E CB -0.173 29.472 29.700 -0.093 0.000 1.112 17 E HN 0.078 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 -2.374 173.015 175.510 -0.202 0.000 1.136 18 N CA -1.933 50.994 53.050 -0.206 0.000 0.900 18 N CB 1.627 40.001 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 1.072 178.142 177.300 -0.383 0.000 1.158 19 P CA 0.657 63.434 63.100 -0.537 0.000 0.769 19 P CB 0.169 31.093 31.700 -1.293 0.000 0.807 20 G N -0.345 108.274 108.800 -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 0.321 175.150 174.900 -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 1.446 121.312 119.914 -0.080 0.000 2.326 21 V HA 0.354 4.474 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 62.460 62.300 0.012 0.000 0.823 21 V CB 1.213 33.041 31.823 0.007 0.000 1.009 21 V HN 0.304 nan 8.190 nan 0.000 0.436 22 T N 0.741 115.339 114.554 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 69.247 68.868 -0.010 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 1.077 29.786 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 1.887 44.207 42.059 0.435 0.000 1.263 24 L HN 0.867 nan 8.230 nan 0.000 0.406 25 N N 0.577 119.380 118.700 0.171 0.000 2.800 25 N HA -0.204 4.536 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 0.143 0.000 1.135 25 N HN 0.690 nan 8.380 nan 0.000 0.565 26 R N 1.210 121.658 120.500 -0.087 0.000 2.340 26 R HA 0.401 4.741 4.340 0.000 0.000 0.300 26 R C 0.700 176.854 176.300 -0.244 0.000 1.069 26 R CA -0.327 55.492 56.100 -0.469 0.000 0.984 26 R CB 0.557 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 2.752 123.825 121.223 -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 -0.630 54.159 54.840 -0.085 0.000 0.817 27 L CB 0.463 42.510 42.059 -0.019 0.000 1.162 27 L HN 0.738 nan 8.230 nan 0.000 0.486 28 A N 0.488 123.315 122.820 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 -0.024 52.033 52.037 0.033 0.000 0.794 28 A CB 0.283 19.322 19.000 0.065 0.000 1.034 28 A HN 0.766 nan 8.150 nan 0.000 0.491 29 A N 0.735 123.549 122.820 -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 52.321 52.037 -0.134 0.000 0.812 29 A CB -0.001 18.904 19.000 -0.159 0.000 1.056 29 A HN 1.791 nan 8.150 nan 0.000 0.489 30 H N -2.524 116.446 119.070 -0.167 0.000 2.904 30 H HA 0.597 5.153 4.556 0.000 0.000 0.290 30 H C -3.352 171.749 175.328 -0.379 0.000 1.437 30 H CA -1.736 54.172 56.048 -0.234 0.000 1.147 30 H CB 0.015 29.604 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 -0.417 0.000 1.260 31 P CA -1.485 61.399 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 0.103 0.000 1.226 32 P CA 0.772 63.819 63.100 -0.087 0.000 0.765 32 P CB -0.124 31.596 31.700 0.033 0.000 0.835 33 F N 1.389 121.461 119.950 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 0.567 123.355 122.820 -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 -0.205 115.323 115.700 -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 1.366 122.660 121.300 -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 -0.012 0.000 1.288 36 W CA -0.198 57.148 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 0.088 176.468 176.300 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 0.510 119.307 118.700 0.160 0.000 2.425 38 N HA -0.022 4.718 4.740 0.000 0.000 0.289 38 N C 0.379 175.881 175.510 -0.014 0.000 1.074 38 N CA 0.101 53.191 53.050 0.067 0.000 0.905 38 N CB 2.191 40.711 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 2.365 39 S HA -0.159 4.311 4.470 0.000 0.000 0.225 39 S C 1.178 175.637 174.600 -0.235 0.000 1.039 39 S CA 1.269 59.399 58.200 -0.117 0.000 1.033 39 S CB -0.208 62.958 63.200 -0.058 0.000 0.887 39 S HN 0.670 nan 8.310 nan 0.000 0.447 40 E N 0.932 121.014 120.200 -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 1.154 57.401 56.400 -0.256 0.000 0.804 40 E CB -0.334 29.258 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 -0.081 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 1.580 123.627 122.820 -1.288 0.000 1.902 42 A HA -0.216 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 1.634 52.446 52.037 -2.043 0.000 0.623 42 A CB -0.505 17.810 19.000 -1.141 0.000 0.818 42 A HN 0.113 nan 8.150 nan 0.000 0.443 43 R N -0.073 120.033 120.500 -0.656 0.000 2.152 43 R HA -0.110 4.230 4.340 0.000 0.000 0.232 43 R C 1.442 177.495 176.300 -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 0.585 nan 8.270 nan 0.000 0.451 44 T N -2.848 111.485 114.554 -0.368 0.000 3.105 44 T HA 0.111 4.461 4.350 0.000 0.000 0.253 44 T C 0.045 174.666 174.700 -0.132 0.000 1.047 44 T CA 0.152 62.120 62.100 -0.219 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 1.335 121.624 120.400 -0.185 0.000 2.800 45 D HA -0.151 4.489 4.640 0.000 0.000 0.232 45 D C 0.051 176.456 176.300 0.176 0.000 1.137 45 D CA 0.386 54.409 54.000 0.037 0.000 0.718 45 D CB -0.857 40.001 40.800 0.096 0.000 1.084 45 D HN 0.553 nan 8.370 nan 0.000 0.432 46 R N -0.113 120.486 120.500 0.164 0.000 2.652 46 R HA 0.492 4.832 4.340 0.000 0.000 0.271 46 R C -2.123 174.439 176.300 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 -0.650 176.763 177.300 0.188 0.000 1.239 47 P CA -0.135 63.090 63.100 0.208 0.000 0.789 47 P CB 1.145 32.924 31.700 0.132 0.000 0.933 48 S N 1.794 117.485 115.700 -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 0.885 63.646 63.200 -0.732 0.000 1.027 48 S HN 0.373 nan 8.310 nan 0.000 0.500 49 Q N 1.719 121.550 119.800 0.052 0.000 2.472 49 Q HA -0.009 4.331 4.340 0.000 0.000 0.208 49 Q C 0.788 176.927 176.000 0.230 0.000 0.958 49 Q CA 0.351 56.234 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 0.493 120.356 119.800 0.104 0.000 2.365 50 Q HA 0.148 4.488 4.340 0.000 0.000 0.203 50 Q C 0.012 176.054 176.000 0.070 0.000 0.929 50 Q CA 0.135 55.982 55.803 0.072 0.000 0.948 50 Q CB 0.102 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 1.173 122.462 121.223 0.110 0.000 2.343 51 L HA 0.467 4.807 4.340 0.000 0.000 0.278 51 L C -1.158 175.801 176.870 0.147 0.000 0.996 51 L CA -0.373 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 2.782 123.394 120.500 0.187 0.000 2.561 52 R HA 0.456 4.796 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 2.691 118.418 115.700 0.046 0.000 2.565 53 S HA 0.275 4.745 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 0.509 63.737 63.200 0.046 0.000 0.939 53 S HN 0.540 nan 8.310 nan 0.000 0.504 54 L N 3.457 124.709 121.223 0.048 0.000 2.857 54 L HA 0.285 4.625 4.340 0.000 0.000 0.249 54 L C -0.019 177.059 176.870 0.347 0.000 1.172 54 L CA -0.255 54.648 54.840 0.106 0.000 0.980 54 L CB -0.331 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 0.770 53.949 53.050 0.215 0.000 0.967 55 N CB 1.688 40.227 38.487 0.085 0.000 1.109 55 N HN 0.304 nan 8.380 nan 0.000 0.453 56 G N 0.770 109.755 108.800 0.307 0.000 2.366 56 G HA2 -0.060 3.900 3.960 0.000 0.000 0.190 56 G HA3 -0.060 3.900 3.960 0.000 0.000 0.190 56 G C -1.350 173.790 174.900 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 -1.132 175.738 176.600 0.449 0.000 1.031 57 E CA -0.129 56.468 56.400 0.328 0.000 0.857 57 E CB 0.810 30.617 29.700 0.177 0.000 1.040 57 E HN 0.383 nan 8.360 nan 0.000 0.408 58 W N 1.659 123.047 121.300 0.147 0.000 3.047 58 W HA 0.402 5.062 4.660 0.000 0.000 0.341 58 W C -0.528 176.108 176.519 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 1.604 122.366 120.500 0.437 0.000 2.474 59 R HA 0.656 4.996 4.340 0.000 0.000 0.295 59 R C -1.401 175.102 176.300 0.338 0.000 0.980 59 R CA -0.783 55.508 56.100 0.318 0.000 0.934 59 R CB 1.577 32.010 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 5.191 4.527 0.000 0.000 0.311 60 F C -1.481 174.179 175.800 -0.233 0.000 1.094 60 F CA -0.625 57.255 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 4.226 126.165 122.820 -1.469 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 50.801 52.037 -1.125 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 1.815 122.335 121.300 -1.299 0.000 2.689 62 W HA 0.793 5.453 4.660 0.000 0.000 0.340 62 W C -1.967 173.956 176.519 -0.992 0.000 1.060 62 W CA -0.441 56.303 57.345 -1.001 0.000 1.218 62 W CB 1.449 30.506 29.460 -0.671 0.000 1.410 62 W HN 0.519 nan 8.180 nan 0.000 0.528 63 F N 4.800 124.114 119.950 -1.060 0.000 2.631 63 F HA 0.348 4.875 4.527 0.000 0.000 0.308 63 F C -1.532 173.456 175.800 -1.353 0.000 1.097 63 F CA -2.390 55.115 58.000 -0.824 0.000 0.952 63 F CB 1.394 40.073 39.000 -0.534 0.000 1.307 63 F HN 0.142 nan 8.300 nan 0.000 0.450 64 P HA 0.078 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 1.040 63.960 63.100 -0.300 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 -1.087 50.894 52.037 -0.093 0.000 0.682 65 A CB 0.610 19.614 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 1.647 64.602 63.100 -0.243 0.000 0.837 66 P CB 0.203 31.732 31.700 -0.284 0.000 0.786 67 E N 0.288 120.445 120.200 -0.072 0.000 2.171 67 E HA -0.138 4.212 4.350 0.000 0.000 0.197 67 E C 2.100 178.652 176.600 -0.080 0.000 0.997 67 E CA 1.537 57.916 56.400 -0.035 0.000 0.810 67 E CB -0.892 28.825 29.700 0.029 0.000 0.738 67 E HN 0.228 nan 8.360 nan 0.000 0.467 68 A N 0.727 123.486 122.820 -0.102 0.000 2.206 68 A HA 0.033 4.353 4.320 0.000 0.000 0.211 68 A C 0.845 178.251 177.584 -0.297 0.000 1.158 68 A CA 0.069 52.062 52.037 -0.072 0.000 0.761 68 A CB -0.009 19.041 19.000 0.083 0.000 0.801 68 A HN 0.043 nan 8.150 nan 0.000 0.473 69 V N 2.529 122.107 119.914 -0.559 0.000 2.572 69 V HA 0.213 4.333 4.120 0.000 0.000 0.291 69 V C -2.133 173.746 176.094 -0.359 0.000 1.039 69 V CA -1.307 60.487 62.300 -0.843 0.000 1.055 69 V CB 0.758 32.010 31.823 -0.951 0.000 0.969 69 V HN 0.338 nan 8.190 nan 0.000 0.482 70 P HA 0.331 nan 4.420 nan 0.000 0.294 70 P C 0.439 177.716 177.300 -0.038 0.000 1.294 70 P CA -0.521 62.528 63.100 -0.085 0.000 0.827 70 P CB 1.645 33.342 31.700 -0.006 0.000 0.992 71 E N 1.715 121.888 120.200 -0.045 0.000 2.169 71 E HA -0.233 4.117 4.350 0.000 0.000 0.202 71 E C 1.671 178.233 176.600 -0.062 0.000 1.016 71 E CA 2.422 58.787 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 -0.200 115.487 115.700 -0.021 0.000 2.383 72 S HA -0.231 4.239 4.470 0.000 0.000 0.229 72 S C 1.412 175.989 174.600 -0.038 0.000 1.030 72 S CA 1.126 59.313 58.200 -0.021 0.000 1.002 72 S CB -0.741 62.471 63.200 0.020 0.000 0.829 72 S HN 0.548 nan 8.310 nan 0.000 0.467 73 W N 2.694 123.902 121.300 -0.153 0.000 2.292 73 W HA -0.185 4.475 4.660 0.000 0.000 0.304 73 W C 1.590 177.993 176.519 -0.192 0.000 1.228 73 W CA 1.104 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 0.055 120.956 121.223 -0.537 0.000 2.083 74 L HA -0.206 4.134 4.340 0.000 0.000 0.209 74 L C 2.516 179.107 176.870 -0.466 0.000 1.083 74 L CA 1.506 55.927 54.840 -0.699 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 -1.459 118.564 120.200 -0.295 0.000 2.132 75 E HA 0.103 4.453 4.350 0.000 0.000 0.193 75 E C 0.271 176.779 176.600 -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 29.915 29.700 -0.113 0.000 0.807 75 E HN 0.307 nan 8.360 nan 0.000 0.467 76 C N 2.217 121.439 119.300 -0.131 0.000 2.563 76 C HA 0.362 4.822 4.460 0.000 0.000 0.314 76 C C -0.091 174.885 174.990 -0.022 0.000 1.199 76 C CA -1.306 57.672 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 1.600 122.006 120.400 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 54.560 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 2.506 123.832 121.223 0.171 0.000 2.421 78 L HA 0.206 4.546 4.340 0.000 0.000 0.263 78 L C -1.028 175.887 176.870 0.075 0.000 1.122 78 L CA -1.541 53.373 54.840 0.124 0.000 0.804 78 L CB 0.623 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 0.635 177.951 177.300 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 0.065 120.275 120.200 0.018 0.000 2.502 80 E HA 0.264 4.614 4.350 0.000 0.000 0.194 80 E C 0.756 177.352 176.600 -0.008 0.000 1.062 80 E CA -0.141 56.257 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 1.540 124.368 122.820 0.013 0.000 2.425 81 A HA 0.108 4.428 4.320 0.000 0.000 0.249 81 A C -0.102 177.519 177.584 0.062 0.000 1.084 81 A CA -0.393 51.654 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 0.534 120.997 120.400 0.105 0.000 2.387 82 D HA 0.418 5.058 4.640 0.000 0.000 0.255 82 D C -0.518 175.880 176.300 0.163 0.000 1.081 82 D CA 0.107 54.194 54.000 0.146 0.000 0.994 82 D CB 1.339 42.272 40.800 0.221 0.000 1.127 82 D HN 0.423 nan 8.370 nan 0.000 0.513 83 T N 0.800 115.434 114.554 0.134 0.000 2.758 83 T HA 0.430 4.780 4.350 0.000 0.000 0.285 83 T C -0.189 174.584 174.700 0.122 0.000 0.981 83 T CA -0.443 61.742 62.100 0.142 0.000 0.965 83 T CB 1.077 70.008 68.868 0.106 0.000 0.927 83 T HN 0.016 nan 8.240 nan 0.000 0.448 84 V N 3.707 123.724 119.914 0.173 0.000 3.001 84 V HA 0.513 4.633 4.120 0.000 0.000 0.314 84 V C -0.263 175.940 176.094 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 3.478 123.473 119.914 0.136 0.000 2.546 85 V HA 0.431 4.551 4.120 0.000 0.000 0.284 85 V C -0.209 175.961 176.094 0.126 0.000 1.050 85 V CA -0.211 62.181 62.300 0.153 0.000 0.981 85 V CB 1.632 33.516 31.823 0.102 0.000 0.990 85 V HN 0.548 nan 8.190 nan 0.000 0.474 86 V N 7.608 127.531 119.914 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 2.462 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 33.348 31.700 -0.149 0.000 1.064 88 S N -0.085 115.586 115.700 -0.048 0.000 2.656 88 S HA 0.381 4.851 4.470 0.000 0.000 0.265 88 S C -1.489 173.074 174.600 -0.062 0.000 1.110 88 S CA -1.013 57.144 58.200 -0.071 0.000 0.821 88 S CB 0.099 63.254 63.200 -0.076 0.000 1.099 88 S HN 0.358 nan 8.310 nan 0.000 0.471 89 N N 1.035 119.622 118.700 -0.189 0.000 2.417 89 N HA 0.448 5.188 4.740 0.000 0.000 0.274 89 N C 0.432 175.794 175.510 -0.247 0.000 0.987 89 N CA -0.759 52.155 53.050 -0.227 0.000 0.912 89 N CB 0.759 39.069 38.487 -0.294 0.000 1.177 89 N HN 0.827 nan 8.380 nan 0.000 0.490 90 W N 2.784 123.964 121.300 -0.199 0.000 2.421 90 W HA -0.092 4.568 4.660 0.000 0.000 0.270 90 W C 0.878 177.371 176.519 -0.042 0.000 1.233 90 W CA 0.914 58.141 57.345 -0.197 0.000 1.226 90 W CB -0.387 28.886 29.460 -0.311 0.000 1.121 90 W HN 0.509 nan 8.180 nan 0.000 0.579 91 Q N 0.296 120.086 119.800 -0.016 0.000 2.224 91 Q HA -0.105 4.235 4.340 0.000 0.000 0.203 91 Q C 2.029 177.998 176.000 -0.050 0.000 0.970 91 Q CA 1.596 57.409 55.803 0.015 0.000 0.865 91 Q CB -0.566 28.064 28.738 -0.180 0.000 0.922 91 Q HN 0.212 nan 8.270 nan 0.000 0.445 92 M N -0.939 118.570 119.600 -0.151 0.000 2.619 92 M HA -0.024 4.456 4.480 0.000 0.000 0.251 92 M C 0.473 176.772 176.300 -0.001 0.000 1.106 92 M CA 1.262 56.467 55.300 -0.159 0.000 1.086 92 M CB -0.518 31.926 32.600 -0.260 0.000 1.465 92 M HN 0.345 nan 8.290 nan 0.000 0.506 93 H N -1.620 117.485 119.070 0.059 0.000 2.755 93 H HA 0.358 4.914 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 0.733 30.610 29.762 0.191 0.000 1.536 93 H HN 0.492 nan 8.280 nan 0.000 0.529 94 G N 0.466 109.261 108.800 -0.008 0.000 2.195 94 G HA2 -0.358 3.602 3.960 0.000 0.000 0.224 94 G HA3 -0.358 3.602 3.960 0.000 0.000 0.224 94 G C 0.529 175.286 174.900 -0.238 0.000 0.990 94 G CA 0.277 45.274 45.100 -0.171 0.000 0.639 94 G HN 0.406 nan 8.290 nan 0.000 0.514 95 Y N 2.154 122.424 120.300 -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 1.615 59.511 58.100 -0.340 0.000 1.164 95 Y CB -0.196 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 -2.313 118.166 120.400 0.130 0.000 2.692 96 D HA 0.549 5.189 4.640 0.000 0.000 0.303 96 D C -1.189 175.214 176.300 0.171 0.000 1.278 96 D CA -0.818 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 -0.244 122.682 122.820 0.175 0.000 2.304 97 A HA 0.717 5.037 4.320 0.000 0.000 0.301 97 A C -2.430 175.194 177.584 0.067 0.000 1.132 97 A CA -1.243 50.871 52.037 0.128 0.000 0.819 97 A CB 0.148 19.279 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 0.246 0.000 1.238 98 P CA 0.061 63.110 63.100 -0.085 0.000 0.794 98 P CB 0.703 32.101 31.700 -0.503 0.000 0.955 99 I N 2.401 123.203 120.570 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 -0.943 60.583 61.300 0.377 0.000 1.144 99 I CB 1.623 39.773 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 -0.249 175.496 175.900 -0.258 0.000 1.019 100 Y CA -0.324 57.462 58.100 -0.524 0.000 1.258 100 Y CB 0.972 38.498 38.460 -1.556 0.000 1.106 100 Y HN 0.549 nan 8.280 nan 0.000 0.545 101 T N 3.866 117.903 114.554 -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 61.142 62.100 -0.753 0.000 1.000 101 T CB 1.397 70.045 68.868 -0.366 0.000 1.034 101 T HN 0.866 nan 8.240 nan 0.000 0.467 102 N N 2.097 120.375 118.700 -0.704 0.000 2.335 102 N HA 0.034 4.774 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 -0.499 0.000 0.928 102 N CB 0.218 38.437 38.487 -0.448 0.000 1.118 102 N HN 0.354 nan 8.380 nan 0.000 0.471 103 V N 0.487 120.068 119.914 -0.555 0.000 2.436 103 V HA 0.053 4.173 4.120 0.000 0.000 0.240 103 V C 0.557 176.310 176.094 -0.568 0.000 1.040 103 V CA 0.776 62.652 62.300 -0.706 0.000 1.052 103 V CB -0.060 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 1.226 115.523 114.554 -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 5.202 125.392 120.300 -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 0.388 38.727 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 0.166 177.278 177.300 -0.314 0.000 1.148 106 P CA 1.363 64.353 63.100 -0.183 0.000 0.803 106 P CB 0.148 31.748 31.700 -0.167 0.000 0.782 107 I N -4.401 115.902 120.570 -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 -1.042 59.983 61.300 -0.457 0.000 1.023 107 I CB 1.264 38.831 38.000 -0.721 0.000 1.269 107 I HN -0.418 nan 8.210 nan 0.000 0.512 108 T N 2.234 116.692 114.554 -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 4.612 124.525 119.914 -0.003 0.000 2.326 109 V HA 0.221 4.341 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 -0.680 31.145 31.823 0.003 0.000 1.170 109 V HN 0.810 nan 8.190 nan 0.000 0.494 110 N N 5.404 124.208 118.700 0.174 0.000 2.673 110 N HA 0.277 5.017 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 1.464 40.095 38.487 0.240 0.000 1.286 110 N HN 0.249 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 -0.688 61.949 63.100 -0.772 0.000 0.761 111 P CB 0.436 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 -0.568 176.571 177.300 -0.269 0.000 1.561 112 P CA -0.345 62.500 63.100 -0.426 0.000 1.089 112 P CB 0.025 31.499 31.700 -0.376 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 1.144 177.113 175.800 0.283 0.000 1.106 113 F CA -0.835 57.282 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 -1.958 174.322 176.094 0.309 0.000 1.085 114 V CA -1.943 60.567 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 0.141 nan 4.420 nan 0.000 0.274 115 P C 0.702 178.163 177.300 0.267 0.000 1.237 115 P CA 0.020 63.237 63.100 0.195 0.000 0.793 115 P CB 0.649 32.428 31.700 0.132 0.000 0.977 116 T N -1.058 113.616 114.554 0.201 0.000 2.833 116 T HA -0.141 4.209 4.350 0.000 0.000 0.269 116 T C 0.308 175.123 174.700 0.193 0.000 1.054 116 T CA 1.113 63.331 62.100 0.197 0.000 1.135 116 T CB -0.653 68.296 68.868 0.135 0.000 0.869 116 T HN 0.372 nan 8.240 nan 0.000 0.466 117 E N 2.834 123.152 120.200 0.197 0.000 1.996 117 E HA 0.440 4.790 4.350 0.000 0.000 0.280 117 E C -0.645 176.109 176.600 0.256 0.000 1.092 117 E CA -0.271 56.244 56.400 0.193 0.000 0.862 117 E CB 0.443 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 3.626 122.427 118.700 0.168 0.000 2.577 118 N HA 0.266 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 -2.626 50.521 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 0.258 0.000 0.804 120 T N 2.849 117.089 114.554 -0.524 0.000 2.837 120 T HA 0.549 4.899 4.350 0.000 0.000 0.285 120 T C 0.692 174.954 174.700 -0.730 0.000 0.984 120 T CA -0.394 61.445 62.100 -0.435 0.000 1.049 120 T CB 1.345 69.968 68.868 -0.408 0.000 0.947 120 T HN 0.301 nan 8.240 nan 0.000 0.472 121 G N 1.130 109.618 108.800 -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 -0.319 174.387 174.900 -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 3.027 121.894 119.300 -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 -1.751 24.991 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 58.005 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 1.909 118.114 115.700 0.843 0.000 2.537 124 S HA 0.786 5.256 4.470 0.000 0.000 0.271 124 S C -1.815 172.868 174.600 0.138 0.000 1.148 124 S CA -0.827 57.665 58.200 0.486 0.000 0.868 124 S CB 1.881 65.303 63.200 0.372 0.000 1.115 124 S HN 0.752 nan 8.310 nan 0.000 0.461 125 L N 0.665 121.811 121.223 -0.130 0.000 2.513 125 L HA 0.781 5.121 4.340 0.000 0.000 0.261 125 L C -1.444 175.384 176.870 -0.069 0.000 0.945 125 L CA 0.024 54.623 54.840 -0.403 0.000 0.848 125 L CB 2.359 43.589 42.059 -1.382 0.000 1.334 125 L HN 0.863 nan 8.230 nan 0.000 0.407 126 T N 5.235 119.769 114.554 -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 -0.079 62.045 62.100 0.040 0.000 0.957 126 T CB 0.378 69.226 68.868 -0.034 0.000 0.930 126 T HN 0.487 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 40.285 39.000 -0.144 0.000 1.360 127 F HN 0.228 nan 8.300 nan 0.000 0.469 128 N N 0.162 118.783 118.700 -0.132 0.000 2.399 128 N HA 0.665 5.405 4.740 0.000 0.000 0.295 128 N C -1.643 173.790 175.510 -0.129 0.000 1.048 128 N CA -0.579 52.356 53.050 -0.191 0.000 0.886 128 N CB 2.182 40.599 38.487 -0.116 0.000 1.185 128 N HN 0.576 nan 8.380 nan 0.000 0.487 129 V N 1.493 121.295 119.914 -0.188 0.000 2.495 129 V HA 0.244 4.364 4.120 0.000 0.000 0.298 129 V C -0.246 175.714 176.094 -0.224 0.000 1.031 129 V CA -0.951 61.246 62.300 -0.171 0.000 0.871 129 V CB 1.520 33.306 31.823 -0.061 0.000 0.988 129 V HN 0.661 nan 8.190 nan 0.000 0.432 130 D N 3.178 123.334 120.400 -0.407 0.000 2.424 130 D HA -0.013 4.627 4.640 0.000 0.000 0.244 130 D C 1.299 177.506 176.300 -0.157 0.000 1.134 130 D CA 0.114 53.922 54.000 -0.321 0.000 0.881 130 D CB 1.203 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 2.237 122.391 120.200 -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 -0.007 0.000 0.783 131 E HN 0.367 nan 8.360 nan 0.000 0.505 132 S N 0.343 116.069 115.700 0.043 0.000 2.370 132 S HA -0.184 4.286 4.470 0.000 0.000 0.226 132 S C 1.442 176.140 174.600 0.163 0.000 1.033 132 S CA 1.311 59.572 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 2.121 178.587 176.519 -0.087 0.000 1.225 133 W CA 0.088 57.165 57.345 -0.447 0.000 1.233 133 W CB -0.800 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 2.198 179.143 176.870 0.125 0.000 1.115 134 L CA 0.874 55.813 54.840 0.165 0.000 0.820 134 L CB -0.255 41.871 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 -0.085 4.255 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 0.900 56.755 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 0.592 120.865 120.200 0.122 0.000 2.235 136 E HA 0.464 4.814 4.350 0.000 0.000 0.265 136 E C 0.295 177.000 176.600 0.174 0.000 0.940 136 E CA 0.014 56.484 56.400 0.116 0.000 0.819 136 E CB 1.265 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 1.889 110.713 108.800 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 -0.947 173.887 174.900 -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 -0.398 119.207 119.800 -0.325 0.000 2.347 138 Q HA 0.646 4.986 4.340 0.000 0.000 0.271 138 Q C -1.294 174.598 176.000 -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 30.559 28.738 -0.120 0.000 1.304 138 Q HN 0.643 nan 8.270 nan 0.000 0.438 139 T N 4.962 119.540 114.554 0.040 0.000 2.815 139 T HA 0.483 4.833 4.350 0.000 0.000 0.289 139 T C -0.716 174.066 174.700 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 69.625 68.868 0.317 0.000 0.944 139 T HN 0.625 nan 8.240 nan 0.000 0.442 140 R N 3.171 123.728 120.500 0.094 0.000 2.854 140 R HA 0.757 5.097 4.340 0.000 0.000 0.271 140 R C -1.229 175.138 176.300 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 2.725 123.369 120.570 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 59.952 61.300 0.025 0.000 1.173 141 I CB 1.397 39.391 38.000 -0.010 0.000 1.338 141 I HN 0.620 nan 8.210 nan 0.000 0.456 142 I N 7.228 127.703 120.570 -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 -0.407 60.816 61.300 -0.129 0.000 1.083 142 I CB 1.552 39.513 38.000 -0.064 0.000 1.245 142 I HN 0.369 nan 8.210 nan 0.000 0.434 143 F N 4.522 124.482 119.950 0.015 0.000 2.334 143 F HA 0.265 4.792 4.527 0.000 0.000 0.367 143 F C 1.320 177.027 175.800 -0.156 0.000 1.115 143 F CA -0.493 57.448 58.000 -0.099 0.000 1.116 143 F CB 0.735 39.650 39.000 -0.141 0.000 1.230 143 F HN 0.462 nan 8.300 nan 0.000 0.484 144 D N 2.335 122.691 120.400 -0.075 0.000 2.263 144 D HA 0.015 4.655 4.640 0.000 0.000 0.208 144 D C 1.004 177.158 176.300 -0.243 0.000 0.971 144 D CA 1.059 54.962 54.000 -0.163 0.000 0.867 144 D CB 0.284 40.945 40.800 -0.232 0.000 0.929 144 D HN 0.648 nan 8.370 nan 0.000 0.492 145 G N -0.882 107.704 108.800 -0.357 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 -0.618 0.000 1.396 145 G CA -0.514 44.244 45.100 -0.571 0.000 1.104 145 G HN -0.051 nan 8.290 nan 0.000 0.587 146 V N 2.384 122.153 119.914 -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 -1.164 61.030 62.300 -0.176 0.000 0.886 146 V CB 1.951 33.400 31.823 -0.623 0.000 1.007 146 V HN 0.756 nan 8.190 nan 0.000 0.426 147 N N 2.350 121.141 118.700 0.152 0.000 2.372 147 N HA 0.366 5.106 4.740 0.000 0.000 0.285 147 N C 0.622 176.082 175.510 -0.082 0.000 1.008 147 N CA 0.187 53.258 53.050 0.035 0.000 0.880 147 N CB 2.376 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 2.057 117.737 115.700 -0.033 0.000 2.505 148 S HA 0.540 5.010 4.470 0.000 0.000 0.216 148 S C 0.323 174.988 174.600 0.108 0.000 1.018 148 S CA 0.219 58.451 58.200 0.052 0.000 0.911 148 S CB 0.239 63.486 63.200 0.079 0.000 0.818 148 S HN 0.697 nan 8.310 nan 0.000 0.497 149 A N 0.722 123.619 122.820 0.129 0.000 2.606 149 A HA 0.795 5.115 4.320 0.000 0.000 0.293 149 A C -1.267 176.460 177.584 0.239 0.000 1.082 149 A CA -0.934 51.166 52.037 0.105 0.000 0.685 149 A CB 0.940 20.020 19.000 0.134 0.000 1.284 149 A HN 1.189 nan 8.150 nan 0.000 0.408 150 F N -0.665 119.163 119.950 -0.203 0.000 2.725 150 F HA 0.695 5.222 4.527 0.000 0.000 0.309 150 F C -1.366 174.440 175.800 0.009 0.000 1.132 150 F CA -0.777 57.192 58.000 -0.052 0.000 0.957 150 F CB 1.015 39.954 39.000 -0.101 0.000 1.286 150 F HN 0.643 nan 8.300 nan 0.000 0.440 151 H N 2.031 121.297 119.070 0.326 0.000 2.499 151 H HA 0.773 5.329 4.556 0.000 0.000 0.340 151 H C -1.421 173.974 175.328 0.113 0.000 1.148 151 H CA -0.719 55.439 56.048 0.184 0.000 1.215 151 H CB 2.422 32.323 29.762 0.231 0.000 1.529 151 H HN 0.816 nan 8.280 nan 0.000 0.510 152 L N 2.411 123.531 121.223 -0.172 0.000 2.408 152 L HA 0.413 4.753 4.340 0.000 0.000 0.268 152 L C -1.736 174.878 176.870 -0.426 0.000 0.986 152 L CA -0.529 54.243 54.840 -0.114 0.000 0.820 152 L CB 1.726 43.585 42.059 -0.332 0.000 1.303 152 L HN 0.513 nan 8.230 nan 0.000 0.411 153 W N 4.193 125.467 121.300 -0.043 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 2.094 31.528 29.460 -0.043 0.000 1.420 153 W HN 0.646 nan 8.180 nan 0.000 0.519 154 C N 4.831 124.203 119.300 0.119 0.000 2.397 154 C HA 0.299 4.759 4.460 0.000 0.000 0.325 154 C C 0.163 175.254 174.990 0.168 0.000 1.201 154 C CA -0.389 58.684 59.018 0.090 0.000 1.377 154 C CB -0.495 27.221 27.740 -0.040 0.000 2.038 154 C HN 0.808 nan 8.230 nan 0.000 0.457 155 N N 3.711 122.480 118.700 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 0.281 0.000 0.988 156 G CA 0.550 45.692 45.100 0.069 0.000 0.625 156 G HN 0.551 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 -0.149 176.431 176.300 0.467 0.000 1.004 157 R CA -0.858 55.536 56.100 0.490 0.000 0.902 157 R CB 0.747 31.372 30.300 0.540 0.000 1.073 157 R HN 0.250 nan 8.270 nan 0.000 0.457 158 W N 4.191 125.623 121.300 0.220 0.000 2.308 158 W HA 0.055 4.715 4.660 0.000 0.000 0.324 158 W C 0.026 176.387 176.519 -0.263 0.000 1.387 158 W CA 0.064 57.166 57.345 -0.405 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 5.521 124.580 119.914 -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 -1.624 0.000 1.113 159 V CA 0.975 62.492 62.300 -1.304 0.000 1.137 159 V CB -0.363 30.762 31.823 -1.163 0.000 0.865 159 V HN 0.801 nan 8.190 nan 0.000 0.482 160 G N -1.678 105.942 108.800 -1.966 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 -0.016 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 -0.143 57.761 58.100 -0.326 0.000 1.028 161 Y CB 2.268 40.664 38.460 -0.105 0.000 1.297 161 Y HN 1.291 nan 8.280 nan 0.000 0.463 162 G N 3.503 111.473 108.800 -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 -0.030 119.553 119.800 -0.363 0.000 2.496 163 Q HA 0.607 4.947 4.340 0.000 0.000 0.286 163 Q C -1.329 174.659 176.000 -0.020 0.000 1.103 163 Q CA -0.882 54.832 55.803 -0.148 0.000 0.813 163 Q CB 2.734 31.430 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 4.543 4.640 0.000 0.000 0.238 164 D C -0.402 175.955 176.300 0.096 0.000 1.104 164 D CA 0.549 54.595 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 3.108 118.881 115.700 0.122 0.000 2.500 165 S HA -0.162 4.308 4.470 0.000 0.000 0.239 165 S C 1.695 176.415 174.600 0.200 0.000 0.989 165 S CA 0.996 59.298 58.200 0.169 0.000 0.951 165 S CB 0.025 63.316 63.200 0.151 0.000 0.759 165 S HN 0.642 nan 8.310 nan 0.000 0.523 166 R N 0.288 120.873 120.500 0.143 0.000 2.334 166 R HA 0.398 4.738 4.340 0.000 0.000 0.212 166 R C 0.139 176.499 176.300 0.099 0.000 0.897 166 R CA 0.069 56.255 56.100 0.143 0.000 1.056 166 R CB -0.203 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 1.913 123.169 121.223 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 2.446 44.502 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 2.066 117.810 115.700 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 0.919 64.244 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 0.616 4.966 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 -0.161 0.000 0.769 170 E CB 1.618 31.309 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 -0.072 175.757 175.800 0.049 0.000 1.082 171 F CA -1.254 56.776 58.000 0.050 0.000 0.929 171 F CB 1.186 40.185 39.000 -0.002 0.000 1.254 171 F HN 0.234 nan 8.300 nan 0.000 0.455 172 D N 2.214 122.772 120.400 0.265 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 54.513 54.000 0.204 0.000 0.877 172 D CB 0.977 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 2.533 123.893 121.223 0.229 0.000 2.554 173 L HA -0.038 4.302 4.340 0.000 0.000 0.225 173 L C 2.217 179.339 176.870 0.419 0.000 1.104 173 L CA -0.084 54.925 54.840 0.282 0.000 0.866 173 L CB -0.002 42.188 42.059 0.218 0.000 1.047 173 L HN 0.321 nan 8.230 nan 0.000 0.468 174 S N 1.272 117.146 115.700 0.291 0.000 2.461 174 S HA -0.366 4.104 4.470 0.000 0.000 0.266 174 S C 1.781 176.492 174.600 0.185 0.000 1.138 174 S CA 2.135 60.465 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 -0.933 121.989 122.820 0.171 0.000 2.307 175 A HA 0.455 4.775 4.320 0.000 0.000 0.218 175 A C 0.930 178.390 177.584 -0.206 0.000 1.228 175 A CA 0.032 52.030 52.037 -0.064 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 -1.042 118.949 119.950 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 57.380 58.000 0.061 0.000 1.224 176 F CB -0.014 39.025 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 0.414 177.334 176.870 0.082 0.000 1.148 177 L CA -0.066 54.873 54.840 0.165 0.000 0.825 177 L CB 0.730 42.907 42.059 0.197 0.000 1.117 177 L HN 0.033 nan 8.230 nan 0.000 0.456 178 R N 1.460 121.971 120.500 0.018 0.000 2.787 178 R HA 0.680 5.020 4.340 0.000 0.000 0.271 178 R C -0.542 175.734 176.300 -0.040 0.000 0.993 178 R CA -0.890 55.201 56.100 -0.015 0.000 0.993 178 R CB 1.797 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 0.797 123.596 122.820 -0.035 0.000 2.388 179 A HA 0.562 4.882 4.320 0.000 0.000 0.257 179 A C 0.833 178.366 177.584 -0.085 0.000 1.095 179 A CA 0.705 52.713 52.037 -0.049 0.000 0.791 179 A CB 0.126 19.107 19.000 -0.032 0.000 1.029 179 A HN 0.870 nan 8.150 nan 0.000 0.489 180 G N 1.044 109.779 108.800 -0.108 0.000 2.536 180 G HA2 -0.215 3.745 3.960 0.000 0.000 0.277 180 G HA3 -0.215 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 -0.082 176.325 176.600 -0.322 0.000 1.067 181 E CA 0.026 56.277 56.400 -0.248 0.000 0.900 181 E CB 0.111 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 52.059 53.050 -0.604 0.000 0.793 182 N CB 2.182 40.085 38.487 -0.973 0.000 1.366 182 N HN 0.285 nan 8.380 nan 0.000 0.493 183 R N 1.540 121.944 120.500 -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 0.133 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 0.210 0.000 1.197 184 L HN 0.676 nan 8.230 nan 0.000 0.431 185 A N 3.681 126.594 122.820 0.155 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 0.538 0.000 1.160 185 A CA -0.441 51.629 52.037 0.055 0.000 0.747 185 A CB 1.239 19.672 19.000 -0.946 0.000 1.170 185 A HN 0.380 nan 8.150 nan 0.000 0.458 186 V N 3.534 123.929 119.914 0.802 0.000 2.347 186 V HA 0.451 4.571 4.120 0.000 0.000 0.280 186 V C 0.131 176.715 176.094 0.817 0.000 1.021 186 V CA -0.243 62.504 62.300 0.746 0.000 0.847 186 V CB 1.205 33.311 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 -0.319 55.272 55.300 0.485 0.000 1.021 187 M CB 1.136 34.064 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 0.416 4.536 4.120 0.000 0.000 0.282 188 V C 0.033 176.279 176.094 0.253 0.000 1.039 188 V CA -0.743 61.742 62.300 0.307 0.000 0.913 188 V CB 1.178 33.221 31.823 0.367 0.000 0.983 188 V HN 0.791 nan 8.190 nan 0.000 0.460 189 L N 3.753 125.062 121.223 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 54.122 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 1.640 122.025 120.500 -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 -0.568 0.000 1.143 190 R CA 1.411 57.139 56.100 -0.621 0.000 0.945 190 R CB 0.152 29.798 30.300 -1.089 0.000 0.841 190 R HN 0.613 nan 8.270 nan 0.000 0.429 191 W N 0.547 121.898 121.300 0.084 0.000 2.496 191 W HA 0.328 4.988 4.660 0.000 0.000 0.327 191 W C -0.062 176.567 176.519 0.183 0.000 1.086 191 W CA -0.847 56.560 57.345 0.102 0.000 1.222 191 W CB 1.463 30.988 29.460 0.109 0.000 1.304 191 W HN 0.046 nan 8.180 nan 0.000 0.547 192 S N -0.904 115.083 115.700 0.478 0.000 2.688 192 S HA 0.217 4.687 4.470 0.000 0.000 0.275 192 S C 0.148 174.999 174.600 0.420 0.000 1.175 192 S CA -0.545 57.947 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 0.557 121.206 120.400 0.415 0.000 2.218 193 D HA 0.040 4.680 4.640 0.000 0.000 0.204 193 D C 1.815 178.416 176.300 0.501 0.000 0.976 193 D CA 1.265 55.546 54.000 0.468 0.000 0.853 193 D CB -0.798 40.149 40.800 0.246 0.000 0.939 193 D HN 0.699 nan 8.370 nan 0.000 0.481 194 G N 0.054 109.068 108.800 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 1.726 176.801 174.900 0.292 0.000 1.121 194 G CA 0.839 46.121 45.100 0.303 0.000 0.758 194 G HN 0.324 nan 8.290 nan 0.000 0.559 195 S N -0.143 115.717 115.700 0.266 0.000 2.399 195 S HA -0.103 4.367 4.470 0.000 0.000 0.231 195 S C 1.901 176.586 174.600 0.142 0.000 1.022 195 S CA 0.765 59.083 58.200 0.197 0.000 0.983 195 S CB -0.400 62.910 63.200 0.184 0.000 0.803 195 S HN 0.566 nan 8.310 nan 0.000 0.480 196 Y N 1.017 121.420 120.300 0.171 0.000 2.483 196 Y HA 0.072 4.622 4.550 0.000 0.000 0.291 196 Y C 1.502 177.498 175.900 0.160 0.000 1.143 196 Y CA 0.605 58.736 58.100 0.051 0.000 1.289 196 Y CB -0.165 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 -0.208 121.199 121.223 0.306 0.000 2.769 197 L HA 0.149 4.489 4.340 0.000 0.000 0.240 197 L C 0.037 177.040 176.870 0.222 0.000 1.163 197 L CA 0.346 55.323 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 0.528 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 -0.173 176.118 176.300 -0.015 0.000 1.192 199 D CA -0.003 53.951 54.000 -0.077 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 0.363 120.245 119.800 0.137 0.000 2.421 200 Q HA 0.125 4.465 4.340 0.000 0.000 0.255 200 Q C -0.086 176.022 176.000 0.181 0.000 1.013 200 Q CA 0.037 55.987 55.803 0.244 0.000 0.895 200 Q CB 0.543 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 2.708 123.244 120.400 0.228 0.000 2.441 201 D HA 0.194 4.834 4.640 0.000 0.000 0.243 201 D C -0.815 175.635 176.300 0.251 0.000 1.257 201 D CA 0.154 54.255 54.000 0.167 0.000 1.027 201 D CB -0.401 40.520 40.800 0.200 0.000 1.084 201 D HN 0.485 nan 8.370 nan 0.000 0.514 202 M N 0.430 120.128 119.600 0.163 0.000 3.084 202 M HA 0.403 4.883 4.480 0.000 0.000 0.273 202 M C -1.263 175.139 176.300 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 1.937 123.333 121.300 0.160 0.000 2.210 203 W HA 0.349 5.009 4.660 0.000 0.000 0.330 203 W C 0.190 176.721 176.519 0.021 0.000 1.334 203 W CA -0.107 57.313 57.345 0.124 0.000 1.227 203 W CB 0.440 29.918 29.460 0.030 0.000 1.178 203 W HN 0.264 nan 8.180 nan 0.000 0.560 204 R N 4.831 125.501 120.500 0.283 0.000 2.205 204 R HA 0.393 4.733 4.340 0.000 0.000 0.342 204 R C -0.153 176.172 176.300 0.042 0.000 1.058 204 R CA -0.180 56.018 56.100 0.163 0.000 0.904 204 R CB 0.096 30.544 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 -1.260 113.999 115.700 -0.734 0.000 2.611 206 S HA 0.934 5.404 4.470 0.000 0.000 0.268 206 S C -0.578 173.567 174.600 -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 -1.200 0.000 1.122 206 S HN 1.420 nan 8.310 nan 0.000 0.466 207 G N 0.066 108.627 108.800 -0.398 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 -1.402 173.486 174.900 -0.021 0.000 1.256 207 G CA -0.576 44.548 45.100 0.040 0.000 1.027 207 G HN 1.178 nan 8.290 nan 0.000 0.491 208 I N 2.067 122.502 120.570 -0.226 0.000 2.316 208 I HA 0.290 4.460 4.170 0.000 0.000 0.286 208 I C 1.131 177.117 176.117 -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 37.417 38.000 -0.760 0.000 1.455 208 I HN 0.518 nan 8.210 nan 0.000 0.498 209 F N 4.101 123.915 119.950 -0.226 0.000 2.765 209 F HA 0.411 4.938 4.527 0.000 0.000 0.302 209 F C 0.698 176.435 175.800 -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 -0.678 0.000 2.888 210 R HA 0.238 4.578 4.340 0.000 0.000 0.264 210 R C -1.037 175.096 176.300 -0.277 0.000 1.045 210 R CA -1.150 54.703 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 0.772 121.075 120.400 -0.162 0.000 2.563 211 D HA 0.070 4.710 4.640 0.000 0.000 0.229 211 D C -0.307 175.899 176.300 -0.158 0.000 1.159 211 D CA 0.537 54.465 54.000 -0.120 0.000 0.869 211 D CB 0.372 41.138 40.800 -0.057 0.000 1.203 211 D HN 0.063 nan 8.370 nan 0.000 0.478 212 V N 1.175 121.007 119.914 -0.137 0.000 2.487 212 V HA 0.601 4.721 4.120 0.000 0.000 0.298 212 V C 0.009 176.016 176.094 -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 -1.515 175.464 176.870 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 0.504 nan 8.230 nan 0.000 0.414 215 L N 2.296 123.577 121.223 0.097 0.000 2.410 215 L HA 0.502 4.842 4.340 0.000 0.000 0.270 215 L C -1.090 175.666 176.870 -0.191 0.000 0.983 215 L CA -0.264 54.559 54.840 -0.027 0.000 0.822 215 L CB 1.731 43.785 42.059 -0.008 0.000 1.285 215 L HN 0.495 nan 8.230 nan 0.000 0.409 216 H N 3.907 122.637 119.070 -0.567 0.000 2.541 216 H HA 0.576 5.132 4.556 0.000 0.000 0.316 216 H C -1.180 173.856 175.328 -0.487 0.000 1.043 216 H CA -0.186 55.368 56.048 -0.823 0.000 1.232 216 H CB 0.943 29.619 29.762 -1.809 0.000 1.406 216 H HN 0.624 nan 8.280 nan 0.000 0.469 217 K N 5.448 125.361 120.400 -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 -0.004 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 -0.132 62.812 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 1.270 63.301 62.100 -0.114 0.000 1.136 219 T CB -0.809 68.016 68.868 -0.071 0.000 0.874 219 T HN 0.318 nan 8.240 nan 0.000 0.466 220 T N 3.405 117.891 114.554 -0.115 0.000 2.853 220 T HA 0.437 4.787 4.350 0.000 0.000 0.317 220 T C -0.279 174.335 174.700 -0.143 0.000 1.059 220 T CA -0.794 61.229 62.100 -0.128 0.000 0.954 220 T CB 0.668 69.471 68.868 -0.108 0.000 0.994 220 T HN 0.584 nan 8.240 nan 0.000 0.479 221 Q N 2.507 122.206 119.800 -0.168 0.000 2.605 221 Q HA 0.626 4.966 4.340 0.000 0.000 0.296 221 Q C -0.959 174.931 176.000 -0.183 0.000 1.056 221 Q CA -1.228 54.460 55.803 -0.191 0.000 0.778 221 Q CB 1.493 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 2.560 122.997 120.570 -0.222 0.000 2.436 222 I HA -0.001 4.169 4.170 0.000 0.000 0.289 222 I C 0.678 176.626 176.117 -0.281 0.000 1.083 222 I CA 0.054 61.241 61.300 -0.189 0.000 1.372 222 I CB 0.997 38.851 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 0.316 63.525 63.200 0.015 0.000 0.801 223 S HN 0.713 nan 8.310 nan 0.000 0.505 224 D N -0.332 120.263 120.400 0.325 0.000 2.720 224 D HA 0.503 5.143 4.640 0.000 0.000 0.239 224 D C -1.834 174.676 176.300 0.349 0.000 1.218 224 D CA -0.734 53.503 54.000 0.395 0.000 0.748 224 D CB 1.474 42.397 40.800 0.205 0.000 1.387 224 D HN 0.219 nan 8.370 nan 0.000 0.438 225 F N -0.382 119.617 119.950 0.082 0.000 2.665 225 F HA 0.669 5.196 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 1.312 40.340 39.000 0.047 0.000 1.295 225 F HN 0.303 nan 8.300 nan 0.000 0.440 226 H N 1.525 120.590 119.070 -0.009 0.000 2.768 226 H HA 0.783 5.339 4.556 0.000 0.000 0.371 226 H C -1.426 173.889 175.328 -0.023 0.000 1.151 226 H CA -1.540 54.437 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 -0.714 175.359 176.094 -0.036 0.000 1.054 227 V CA -0.440 61.872 62.300 0.019 0.000 0.928 227 V CB 1.684 33.498 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 -0.067 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 21.057 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 61.280 62.100 -0.260 0.000 0.960 229 T CB 1.150 69.828 68.868 -0.316 0.000 0.939 229 T HN 0.694 nan 8.240 nan 0.000 0.439 230 R N 1.787 122.049 120.500 -0.396 0.000 2.711 230 R HA 0.774 5.114 4.340 0.000 0.000 0.284 230 R C -1.179 174.753 176.300 -0.613 0.000 0.968 230 R CA -0.730 55.196 56.100 -0.290 0.000 0.924 230 R CB 1.557 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 0.229 120.185 119.950 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 -1.189 56.767 58.000 -0.073 0.000 0.969 231 F CB 0.934 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 0.004 0.000 2.448 232 N HA 0.087 4.827 4.740 0.000 0.000 0.274 232 N C 0.586 175.953 175.510 -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 0.705 nan 8.380 nan 0.000 0.576 233 D N -0.625 119.676 120.400 -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 2.071 55.968 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 -1.007 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 0.275 120.285 119.950 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 58.854 58.000 0.136 0.000 1.222 235 F CB -2.389 36.596 39.000 -0.024 0.000 1.457 235 F HN 0.198 nan 8.300 nan 0.000 0.383 236 S N -0.727 115.084 115.700 0.186 0.000 2.527 236 S HA 0.161 4.631 4.470 0.000 0.000 0.222 236 S C 0.656 175.307 174.600 0.086 0.000 0.985 236 S CA 0.528 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 -1.603 174.710 176.300 0.022 0.000 1.046 237 R CA -0.104 56.016 56.100 0.032 0.000 0.906 237 R CB 1.802 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 -0.149 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 -0.272 0.000 1.323 238 A HN 0.368 nan 8.150 nan 0.000 0.415 239 V N 1.216 121.023 119.914 -0.178 0.000 2.525 239 V HA 0.430 4.550 4.120 0.000 0.000 0.299 239 V C -0.937 175.108 176.094 -0.083 0.000 1.034 239 V CA -0.366 61.874 62.300 -0.100 0.000 0.863 239 V CB 1.325 33.087 31.823 -0.102 0.000 0.999 239 V HN 0.848 nan 8.190 nan 0.000 0.423 240 L N 4.671 125.880 121.223 -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 1.258 43.304 42.059 -0.021 0.000 1.175 240 L HN 0.845 nan 8.230 nan 0.000 0.431 241 E N 4.734 124.893 120.200 -0.068 0.000 2.218 241 E HA 0.730 5.080 4.350 0.000 0.000 0.263 241 E C -1.746 174.843 176.600 -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 0.475 4.795 4.320 0.000 0.000 0.320 242 A C -0.853 176.735 177.584 0.006 0.000 1.138 242 A CA -0.711 51.345 52.037 0.031 0.000 0.790 242 A CB 1.353 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 31.302 29.700 -0.101 0.000 1.133 243 E HN 0.388 nan 8.360 nan 0.000 0.409 244 V N 4.127 124.009 119.914 -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 1.683 33.494 31.823 -0.019 0.000 0.995 244 V HN 0.753 nan 8.190 nan 0.000 0.429 245 Q N 4.009 123.870 119.800 0.101 0.000 2.377 245 Q HA 0.843 5.183 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 -0.991 118.613 119.600 0.007 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 2.069 34.393 32.600 -0.460 0.000 1.732 246 M HN 0.556 nan 8.290 nan 0.000 0.467 247 C N 1.570 120.771 119.300 -0.166 0.000 2.561 247 C HA 1.016 5.476 4.460 0.000 0.000 0.319 247 C C 0.658 175.551 174.990 -0.161 0.000 1.198 247 C CA 0.928 59.865 59.018 -0.135 0.000 1.665 247 C CB 0.875 28.557 27.740 -0.098 0.000 2.258 247 C HN 1.322 nan 8.230 nan 0.000 0.493 248 G N 3.465 112.184 108.800 -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 -1.172 173.647 174.900 -0.136 0.000 1.243 248 G CA -0.117 44.905 45.100 -0.130 0.000 1.083 248 G HN 0.903 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 0.145 176.641 176.600 -0.173 0.000 1.045 249 E CA -0.782 55.547 56.400 -0.119 0.000 0.833 249 E CB 1.094 30.752 29.700 -0.071 0.000 1.077 249 E HN 0.663 nan 8.360 nan 0.000 0.397 250 L N 4.428 125.538 121.223 -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 0.024 54.723 54.840 -0.235 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 0.099 176.165 176.300 -0.390 0.000 0.987 251 R CA -0.657 55.234 56.100 -0.349 0.000 0.901 251 R CB 1.649 31.558 30.300 -0.651 0.000 1.207 251 R HN 0.641 nan 8.270 nan 0.000 0.463 252 D N 1.267 121.554 120.400 -0.188 0.000 2.378 252 D HA -0.160 4.480 4.640 0.000 0.000 0.222 252 D C 1.022 177.296 176.300 -0.043 0.000 0.980 252 D CA 1.200 55.158 54.000 -0.070 0.000 0.907 252 D CB -0.011 40.803 40.800 0.024 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 1.028 176.933 175.900 0.008 0.000 1.169 253 Y CA -0.874 57.234 58.100 0.015 0.000 1.285 253 Y CB -0.475 37.994 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 0.282 4.622 4.340 0.000 0.000 0.272 254 L C 0.256 177.074 176.870 -0.086 0.000 1.197 254 L CA 0.076 54.823 54.840 -0.155 0.000 0.836 254 L CB 0.432 42.430 42.059 -0.103 0.000 1.105 254 L HN 0.236 nan 8.230 nan 0.000 0.477 255 R N 1.934 122.289 120.500 -0.240 0.000 2.799 255 R HA 0.736 5.076 4.340 0.000 0.000 0.270 255 R C -1.532 174.445 176.300 -0.538 0.000 1.010 255 R CA -0.823 55.020 56.100 -0.428 0.000 0.916 255 R CB 2.304 32.275 30.300 -0.548 0.000 1.228 255 R HN 0.286 nan 8.270 nan 0.000 0.469 256 V N 0.756 120.419 119.914 -0.418 0.000 2.709 256 V HA 0.522 4.642 4.120 0.000 0.000 0.308 256 V C -0.536 175.504 176.094 -0.090 0.000 1.062 256 V CA -0.571 61.565 62.300 -0.274 0.000 0.901 256 V CB 2.433 34.022 31.823 -0.390 0.000 1.003 256 V HN 0.771 nan 8.190 nan 0.000 0.425 257 T N 3.510 118.097 114.554 0.055 0.000 2.861 257 T HA 0.689 5.039 4.350 0.000 0.000 0.287 257 T C -0.909 173.801 174.700 0.016 0.000 1.003 257 T CA -0.463 61.682 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 3.211 123.119 119.914 -0.010 0.000 2.531 258 V HA 0.704 4.824 4.120 0.000 0.000 0.301 258 V C -0.424 175.661 176.094 -0.016 0.000 1.034 258 V CA -0.814 61.478 62.300 -0.014 0.000 0.865 258 V CB 1.900 33.705 31.823 -0.030 0.000 0.995 258 V HN 1.069 nan 8.190 nan 0.000 0.424 259 S N 5.096 120.805 115.700 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 -2.032 174.717 176.870 -0.202 0.000 0.996 260 L CA -0.304 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 3.195 124.597 121.300 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 1.588 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 2.477 122.496 119.800 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 0.684 56.548 55.803 0.100 0.000 0.918 262 Q CB 0.201 28.939 28.738 -0.001 0.000 1.151 262 Q HN 0.747 nan 8.270 nan 0.000 0.531 263 G N 2.434 111.300 108.800 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 0.064 0.000 0.994 263 G HN 0.515 nan 8.290 nan 0.000 0.575 264 E N 1.316 121.589 120.200 0.122 0.000 2.307 264 E HA 0.215 4.565 4.350 0.000 0.000 0.195 264 E C 1.275 178.079 176.600 0.341 0.000 0.975 264 E CA 0.983 57.468 56.400 0.142 0.000 0.878 264 E CB -0.057 29.687 29.700 0.073 0.000 0.845 264 E HN 0.524 nan 8.360 nan 0.000 0.488 265 T N 1.625 116.358 114.554 0.298 0.000 2.869 265 T HA 0.154 4.504 4.350 0.000 0.000 0.295 265 T C 0.222 175.039 174.700 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 2.818 122.523 119.800 -0.159 0.000 2.296 266 Q HA 0.298 4.638 4.340 0.000 0.000 0.257 266 Q C 0.177 175.942 176.000 -0.392 0.000 0.942 266 Q CA -0.487 54.829 55.803 -0.813 0.000 0.939 266 Q CB 0.917 28.867 28.738 -1.313 0.000 1.198 266 Q HN 0.558 nan 8.270 nan 0.000 0.429 267 V N 2.712 122.433 119.914 -0.322 0.000 2.685 267 V HA 0.297 4.417 4.120 0.000 0.000 0.244 267 V C 0.416 176.415 176.094 -0.159 0.000 1.054 267 V CA 1.139 63.358 62.300 -0.135 0.000 1.076 267 V CB 0.156 31.997 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 51.804 52.037 -0.173 0.000 0.683 268 A CB 1.794 20.728 19.000 -0.110 0.000 1.278 268 A HN 0.008 nan 8.150 nan 0.000 0.412 269 S N -1.173 114.441 115.700 -0.144 0.000 2.556 269 S HA 0.870 5.340 4.470 0.000 0.000 0.271 269 S C -0.520 174.035 174.600 -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 65.075 63.200 -0.122 0.000 1.114 269 S HN 2.266 nan 8.310 nan 0.000 0.468 270 G N 1.339 110.106 108.800 -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 62.220 62.100 -0.013 0.000 0.986 271 T CB 1.770 70.665 68.868 0.045 0.000 1.021 271 T HN 1.653 nan 8.240 nan 0.000 0.458 272 A N 3.598 126.356 122.820 -0.103 0.000 2.566 272 A HA 0.901 5.221 4.320 0.000 0.000 0.290 272 A C -3.219 174.231 177.584 -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 -0.712 176.474 177.300 -0.191 0.000 1.279 273 P CA -0.451 62.558 63.100 -0.151 0.000 0.867 273 P CB 0.488 32.161 31.700 -0.044 0.000 1.127 274 F N 0.771 120.671 119.950 -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 -0.085 38.870 39.000 -0.074 0.000 1.152 274 F HN 0.599 nan 8.300 nan 0.000 0.602 275 G N 1.344 110.264 108.800 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 0.623 109.488 108.800 0.107 0.000 2.588 276 G HA2 0.675 4.635 3.960 0.000 0.000 0.281 276 G HA3 0.675 4.635 3.960 0.000 0.000 0.281 276 G C 0.163 175.099 174.900 0.059 0.000 1.236 276 G CA -0.395 44.760 45.100 0.090 0.000 0.969 276 G HN 0.843 nan 8.290 nan 0.000 0.504 277 E N -0.941 119.290 120.200 0.052 0.000 2.374 277 E HA 0.311 4.661 4.350 0.000 0.000 0.260 277 E C -0.271 176.348 176.600 0.032 0.000 1.101 277 E CA -0.482 55.937 56.400 0.032 0.000 0.907 277 E CB 0.818 30.535 29.700 0.027 0.000 1.014 277 E HN 0.219 nan 8.360 nan 0.000 0.427 278 I N 2.477 123.054 120.570 0.013 0.000 2.683 278 I HA -0.081 4.089 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 0.609 61.908 61.300 -0.000 0.000 1.429 278 I CB 0.153 38.148 38.000 -0.007 0.000 1.371 278 I HN 0.622 nan 8.210 nan 0.000 0.569 279 I N 1.752 122.318 120.570 -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 0.315 61.621 61.300 0.011 0.000 1.350 279 I CB 0.387 38.417 38.000 0.049 0.000 1.194 279 I HN 0.636 nan 8.210 nan 0.000 0.441 280 D N -0.013 120.371 120.400 -0.027 0.000 2.921 280 D HA 0.180 4.820 4.640 0.000 0.000 0.329 280 D C 0.275 176.557 176.300 -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 41.402 40.800 -0.023 0.000 1.435 280 D HN -0.156 nan 8.370 nan 0.000 0.548 281 E N -0.880 119.306 120.200 -0.024 0.000 2.267 281 E HA -0.053 4.297 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 1.010 57.396 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 -0.500 119.973 120.500 -0.046 0.000 2.300 282 R HA 0.251 4.591 4.340 0.000 0.000 0.199 282 R C 0.768 177.026 176.300 -0.070 0.000 0.920 282 R CA 0.660 56.727 56.100 -0.056 0.000 1.046 282 R CB 0.798 31.060 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 -0.102 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 -1.535 173.239 174.900 -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 0.687 120.998 120.300 0.020 0.000 2.404 285 Y HA 0.417 4.967 4.550 0.000 0.000 0.344 285 Y C 1.410 177.334 175.900 0.039 0.000 0.995 285 Y CA 0.190 58.306 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 1.239 178.902 177.584 0.131 0.000 1.162 286 A CA 1.267 53.364 52.037 0.100 0.000 0.662 286 A CB -0.237 18.780 19.000 0.028 0.000 0.812 286 A HN 0.793 nan 8.150 nan 0.000 0.450 287 D N -0.320 120.155 120.400 0.125 0.000 2.561 287 D HA 0.161 4.801 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 53.899 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 0.430 nan 8.370 nan 0.000 0.490 288 R N -1.042 119.696 120.500 0.396 0.000 2.817 288 R HA 0.754 5.094 4.340 0.000 0.000 0.268 288 R C -1.600 174.825 176.300 0.209 0.000 1.027 288 R CA -1.228 55.063 56.100 0.318 0.000 0.928 288 R CB 2.741 33.088 30.300 0.078 0.000 1.228 288 R HN -0.015 nan 8.270 nan 0.000 0.469 289 V N 0.162 120.075 119.914 -0.002 0.000 3.000 289 V HA 0.497 4.617 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 -0.246 61.975 62.300 -0.132 0.000 0.972 289 V CB 2.683 34.269 31.823 -0.395 0.000 1.065 289 V HN 0.831 nan 8.190 nan 0.000 0.431 290 T N 7.451 121.954 114.554 -0.084 0.000 2.792 290 T HA 0.727 5.077 4.350 0.000 0.000 0.280 290 T C -0.713 173.946 174.700 -0.069 0.000 0.990 290 T CA -0.208 61.853 62.100 -0.065 0.000 0.960 290 T CB 1.168 70.015 68.868 -0.034 0.000 0.939 290 T HN 0.534 nan 8.240 nan 0.000 0.439 291 L N 3.061 124.245 121.223 -0.066 0.000 2.330 291 L HA 0.640 4.980 4.340 0.000 0.000 0.271 291 L C 0.409 177.252 176.870 -0.046 0.000 1.013 291 L CA -0.736 54.068 54.840 -0.061 0.000 0.816 291 L CB 1.439 43.457 42.059 -0.068 0.000 1.287 291 L HN 0.372 nan 8.230 nan 0.000 0.435 292 R N 3.227 123.700 120.500 -0.045 0.000 2.435 292 R HA 0.608 4.948 4.340 0.000 0.000 0.308 292 R C -1.529 174.745 176.300 -0.044 0.000 0.975 292 R CA -0.606 55.468 56.100 -0.043 0.000 0.867 292 R CB 1.326 31.601 30.300 -0.041 0.000 1.171 292 R HN 0.474 nan 8.270 nan 0.000 0.470 293 L N 2.826 124.024 121.223 -0.041 0.000 2.307 293 L HA 0.458 4.799 4.340 0.000 0.000 0.284 293 L C -0.024 176.820 176.870 -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 2.350 121.019 118.700 -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 2.767 41.220 38.487 -0.056 0.000 1.137 294 N HN 0.221 nan 8.380 nan 0.000 0.472 295 V N 1.861 121.710 119.914 -0.107 0.000 2.525 295 V HA 0.219 4.339 4.120 0.000 0.000 0.299 295 V C -0.098 175.908 176.094 -0.145 0.000 1.034 295 V CA -0.843 61.359 62.300 -0.163 0.000 0.863 295 V CB 2.102 33.731 31.823 -0.323 0.000 0.999 295 V HN 0.510 nan 8.190 nan 0.000 0.423 296 E N 3.670 123.810 120.200 -0.099 0.000 2.231 296 E HA 0.332 4.682 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 0.668 nan 8.360 nan 0.000 0.393 297 N N 1.669 120.358 118.700 -0.018 0.000 2.688 297 N HA -0.116 4.624 4.740 0.000 0.000 0.258 297 N C -2.340 173.163 175.510 -0.011 0.000 1.016 297 N CA 0.376 53.431 53.050 0.009 0.000 0.747 297 N CB -1.171 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 -0.016 177.299 177.300 0.024 0.000 1.223 298 P CA 0.285 63.268 63.100 -0.194 0.000 0.785 298 P CB 0.821 32.153 31.700 -0.614 0.000 0.923 299 K N 1.540 122.045 120.400 0.176 0.000 2.234 299 K HA 0.378 4.698 4.320 0.000 0.000 0.277 299 K C -0.067 176.699 176.600 0.277 0.000 1.038 299 K CA -0.505 55.893 56.287 0.185 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 2.570 123.881 121.223 0.148 0.000 2.395 300 L HA 0.297 4.637 4.340 0.000 0.000 0.269 300 L C -0.076 176.873 176.870 0.132 0.000 1.133 300 L CA -0.690 54.238 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 3.185 124.509 121.300 0.041 0.000 2.376 301 W HA 0.478 5.138 4.660 0.000 0.000 0.322 301 W C 0.086 176.542 176.519 -0.105 0.000 1.160 301 W CA 0.112 57.460 57.345 0.005 0.000 1.218 301 W CB 1.358 30.867 29.460 0.081 0.000 1.205 301 W HN 0.617 nan 8.180 nan 0.000 0.559 302 S N 2.874 117.979 115.700 -0.993 0.000 2.615 302 S HA 0.633 5.103 4.470 0.000 0.000 0.269 302 S C -0.005 173.829 174.600 -1.278 0.000 1.161 302 S CA -0.336 57.363 58.200 -0.836 0.000 0.817 302 S CB 1.092 63.998 63.200 -0.490 0.000 1.131 302 S HN 1.036 nan 8.310 nan 0.000 0.467 303 A N 0.393 122.646 122.820 -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 -0.850 17.472 19.000 -1.131 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 -0.288 176.178 176.600 -0.223 0.000 0.979 304 E CA 0.680 56.969 56.400 -0.185 0.000 0.814 304 E CB 0.076 29.794 29.700 0.031 0.000 0.762 304 E HN 0.591 nan 8.360 nan 0.000 0.460 305 I N 1.415 121.806 120.570 -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 -1.864 59.283 61.300 -0.254 0.000 1.076 305 I CB 2.202 40.103 38.000 -0.165 0.000 1.212 305 I HN -0.235 nan 8.210 nan 0.000 0.472 306 P HA 0.081 nan 4.420 nan 0.000 0.226 306 P C -0.582 176.705 177.300 -0.022 0.000 1.783 306 P CA -0.159 62.646 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 1.880 120.591 118.700 0.018 0.000 2.468 307 N HA 0.121 4.861 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 0.357 53.495 53.050 0.147 0.000 0.928 307 N CB 0.843 39.403 38.487 0.121 0.000 1.059 307 N HN 0.273 nan 8.380 nan 0.000 0.467 308 L N 2.237 123.601 121.223 0.235 0.000 2.323 308 L HA 0.526 4.866 4.340 0.000 0.000 0.265 308 L C -0.804 176.154 176.870 0.147 0.000 1.012 308 L CA -0.891 54.116 54.840 0.277 0.000 0.820 308 L CB 1.154 43.340 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 -0.324 175.684 175.900 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 1.188 121.924 120.500 0.395 0.000 2.445 310 R HA 0.860 5.200 4.340 0.000 0.000 0.308 310 R C -1.514 174.990 176.300 0.340 0.000 0.961 310 R CA -0.618 55.651 56.100 0.283 0.000 0.862 310 R CB 1.043 31.428 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 51.520 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 2.388 122.391 119.914 0.149 0.000 2.540 312 V HA 0.525 4.645 4.120 0.000 0.000 0.302 312 V C -0.448 175.642 176.094 -0.005 0.000 1.035 312 V CA -0.639 61.691 62.300 0.049 0.000 0.873 312 V CB 1.581 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 4.727 124.578 119.914 -0.106 0.000 2.350 313 V HA 0.465 4.585 4.120 0.000 0.000 0.285 313 V C -0.173 175.874 176.094 -0.079 0.000 1.014 313 V CA -0.545 61.667 62.300 -0.146 0.000 0.831 313 V CB 1.333 32.932 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 -0.000 0.000 2.176 314 E HA 0.563 4.913 4.350 0.000 0.000 0.267 314 E C -1.117 175.565 176.600 0.138 0.000 0.893 314 E CA -1.064 55.381 56.400 0.074 0.000 0.761 314 E CB 2.809 32.572 29.700 0.104 0.000 1.133 314 E HN 0.417 nan 8.360 nan 0.000 0.409 315 L N 5.304 126.582 121.223 0.090 0.000 2.261 315 L HA 0.270 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 55.029 54.840 0.061 0.000 0.816 315 L CB -0.127 41.949 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 -2.619 112.093 114.554 0.262 0.000 2.927 317 T HA 0.528 4.878 4.350 0.000 0.000 0.281 317 T C 1.479 176.358 174.700 0.300 0.000 0.998 317 T CA -0.227 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 1.192 124.160 122.820 0.246 0.000 1.978 318 A HA -0.140 4.180 4.320 0.000 0.000 0.220 318 A C 2.047 179.729 177.584 0.163 0.000 1.170 318 A CA 1.830 53.980 52.037 0.189 0.000 0.636 318 A CB -1.071 18.025 19.000 0.159 0.000 0.810 318 A HN 0.998 nan 8.150 nan 0.000 0.448 319 D N -1.902 118.579 120.400 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 1.391 55.438 54.000 0.079 0.000 0.842 319 D CB -0.315 40.508 40.800 0.039 0.000 0.948 319 D HN 0.842 nan 8.370 nan 0.000 0.472 320 G N -0.074 108.799 108.800 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 0.035 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 2.043 116.652 114.554 0.092 0.000 2.769 321 T HA 0.427 4.777 4.350 0.000 0.000 0.293 321 T C 0.588 175.363 174.700 0.125 0.000 0.931 321 T CA -0.005 62.145 62.100 0.083 0.000 1.139 321 T CB 1.094 70.008 68.868 0.076 0.000 0.881 321 T HN 0.399 nan 8.240 nan 0.000 0.532 322 L N 5.021 126.294 121.223 0.084 0.000 2.360 322 L HA 0.205 4.545 4.340 0.000 0.000 0.276 322 L C 0.695 177.622 176.870 0.095 0.000 1.121 322 L CA -0.354 54.549 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 3.491 124.122 120.570 0.102 0.000 2.339 323 I HA 0.027 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 -0.414 119.801 120.200 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 -1.117 55.291 56.400 0.013 0.000 0.840 324 E CB 1.369 31.033 29.700 -0.059 0.000 1.309 324 E HN -0.048 nan 8.360 nan 0.000 0.447 325 A N 1.327 124.195 122.820 0.080 0.000 2.475 325 A HA 0.724 5.044 4.320 0.000 0.000 0.301 325 A C -1.122 176.581 177.584 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 -0.380 119.872 120.200 0.088 0.000 2.392 326 E HA 0.792 5.142 4.350 0.000 0.000 0.269 326 E C -0.585 176.052 176.600 0.061 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 0.089 123.066 122.820 0.262 0.000 2.588 327 A HA 0.843 5.163 4.320 0.000 0.000 0.290 327 A C -1.130 176.641 177.584 0.312 0.000 1.136 327 A CA -0.380 51.738 52.037 0.134 0.000 0.681 327 A CB 1.097 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 -0.879 118.565 119.300 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 -1.010 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 1.056 121.522 120.400 0.109 0.000 2.256 329 D HA 0.568 5.208 4.640 0.000 0.000 0.250 329 D C -0.425 175.912 176.300 0.062 0.000 1.093 329 D CA 0.120 54.184 54.000 0.107 0.000 0.882 329 D CB 2.026 42.889 40.800 0.104 0.000 1.185 329 D HN 0.536 nan 8.370 nan 0.000 0.437 330 V N 1.057 121.034 119.914 0.105 0.000 2.604 330 V HA 0.671 4.791 4.120 0.000 0.000 0.305 330 V C 0.516 176.642 176.094 0.054 0.000 1.043 330 V CA -0.746 61.556 62.300 0.003 0.000 0.888 330 V CB 2.116 33.920 31.823 -0.032 0.000 0.995 330 V HN 0.632 nan 8.190 nan 0.000 0.429 331 G N 2.837 111.568 108.800 -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 -0.406 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 -0.232 57.977 58.000 0.348 0.000 1.160 332 F CB 0.946 40.169 39.000 0.373 0.000 1.186 332 F HN 0.478 nan 8.300 nan 0.000 0.526 333 R N 1.221 121.988 120.500 0.445 0.000 2.710 333 R HA 0.552 4.892 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 -1.142 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 1.726 121.943 120.200 0.029 0.000 2.199 334 E HA 0.420 4.770 4.350 0.000 0.000 0.265 334 E C -1.341 175.306 176.600 0.079 0.000 0.882 334 E CA -0.939 55.545 56.400 0.139 0.000 0.759 334 E CB 2.150 31.969 29.700 0.199 0.000 1.148 334 E HN 0.415 nan 8.360 nan 0.000 0.412 335 V N 5.588 125.551 119.914 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 1.218 33.047 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 1.858 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 1.501 122.091 120.570 0.033 0.000 2.339 337 I HA 0.324 4.494 4.170 0.000 0.000 0.290 337 I C -0.641 175.493 176.117 0.029 0.000 0.994 337 I CA -0.380 60.935 61.300 0.025 0.000 1.191 337 I CB 1.734 39.751 38.000 0.027 0.000 1.343 337 I HN 0.716 nan 8.210 nan 0.000 0.458 338 E N 6.508 126.723 120.200 0.024 0.000 2.278 338 E HA 0.243 4.593 4.350 0.000 0.000 0.272 338 E C -0.310 176.301 176.600 0.018 0.000 0.890 338 E CA -0.566 55.850 56.400 0.026 0.000 0.770 338 E CB 1.037 30.757 29.700 0.033 0.000 1.212 338 E HN 0.536 nan 8.360 nan 0.000 0.415 339 N N 3.362 122.072 118.700 0.017 0.000 2.735 339 N HA -0.218 4.522 4.740 0.000 0.000 0.248 339 N C 0.480 175.994 175.510 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 -2.248 106.556 108.800 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 -0.071 174.823 174.900 -0.009 0.000 0.979 340 G CA 0.520 45.620 45.100 0.000 0.000 0.641 340 G HN 0.478 nan 8.290 nan 0.000 0.530 341 L N -0.052 121.167 121.223 -0.007 0.000 2.354 341 L HA 0.750 5.090 4.340 0.000 0.000 0.269 341 L C -0.038 176.822 176.870 -0.018 0.000 1.005 341 L CA -1.331 53.498 54.840 -0.019 0.000 0.819 341 L CB 1.950 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 3.687 124.888 121.223 -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 55.154 54.840 -0.036 0.000 0.809 342 L CB 0.474 42.498 42.059 -0.057 0.000 1.179 342 L HN 0.389 nan 8.230 nan 0.000 0.429 343 L N 5.665 126.879 121.223 -0.015 0.000 2.342 343 L HA 0.587 4.927 4.340 0.000 0.000 0.271 343 L C -0.906 175.965 176.870 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 2.983 124.218 121.223 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 54.768 54.840 0.030 0.000 0.828 344 L CB 1.031 43.112 42.059 0.037 0.000 1.249 344 L HN 0.614 nan 8.230 nan 0.000 0.409 345 N N 4.082 122.698 118.700 -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 1.389 54.105 53.050 -0.558 0.000 0.710 345 N CB -1.224 36.813 38.487 -0.749 0.000 0.993 345 N HN 1.185 nan 8.380 nan 0.000 0.547 346 G N -1.952 106.846 108.800 -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 -0.091 174.856 174.900 0.080 0.000 0.990 346 G CA 0.784 45.963 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 -0.179 177.067 177.300 -0.089 0.000 1.262 348 P CA -0.213 62.850 63.100 -0.062 0.000 0.773 348 P CB 0.518 32.182 31.700 -0.060 0.000 0.879 349 L N 3.194 124.357 121.223 -0.100 0.000 2.468 349 L HA 0.388 4.728 4.340 0.000 0.000 0.254 349 L C 0.508 177.303 176.870 -0.126 0.000 1.171 349 L CA -0.680 54.089 54.840 -0.117 0.000 0.809 349 L CB 0.329 42.281 42.059 -0.179 0.000 1.155 349 L HN 0.235 nan 8.230 nan 0.000 0.473 350 L N 2.490 123.652 121.223 -0.101 0.000 2.471 350 L HA 0.424 4.764 4.340 0.000 0.000 0.263 350 L C -0.692 176.129 176.870 -0.082 0.000 0.985 350 L CA -0.135 54.632 54.840 -0.121 0.000 0.868 350 L CB 0.994 43.012 42.059 -0.069 0.000 1.203 350 L HN 0.229 nan 8.230 nan 0.000 0.429 351 I N 4.682 125.138 120.570 -0.189 0.000 2.379 351 I HA 0.235 4.405 4.170 0.000 0.000 0.290 351 I C 0.435 176.496 176.117 -0.093 0.000 1.063 351 I CA -0.026 61.172 61.300 -0.172 0.000 1.351 351 I CB 0.634 38.414 38.000 -0.367 0.000 1.410 351 I HN 0.579 nan 8.210 nan 0.000 0.505 352 R N 4.746 125.267 120.500 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 0.084 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 0.059 108.901 108.800 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 0.030 120.223 119.914 0.465 0.000 2.971 354 V HA 0.481 4.601 4.120 0.000 0.000 0.309 354 V C -1.144 175.089 176.094 0.232 0.000 1.130 354 V CA -1.204 61.259 62.300 0.271 0.000 0.964 354 V CB 2.212 33.918 31.823 -0.194 0.000 1.029 354 V HN 0.761 nan 8.190 nan 0.000 0.427 355 N N 4.370 123.137 118.700 0.112 0.000 2.499 355 N HA 0.474 5.214 4.740 0.000 0.000 0.281 355 N C -0.795 174.529 175.510 -0.311 0.000 1.098 355 N CA -0.362 52.631 53.050 -0.096 0.000 0.979 355 N CB 1.661 40.102 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 -0.549 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 -0.506 174.810 175.328 -0.019 0.000 1.212 357 H CA -0.086 55.902 56.048 -0.100 0.000 1.356 357 H CB 1.518 31.273 29.762 -0.011 0.000 1.525 357 H HN 0.558 nan 8.280 nan 0.000 0.578 358 E N 1.594 121.982 120.200 0.312 0.000 1.941 358 E HA 0.104 4.454 4.350 0.000 0.000 0.275 358 E C -0.775 175.962 176.600 0.229 0.000 1.113 358 E CA 0.011 56.513 56.400 0.170 0.000 0.878 358 E CB 0.161 29.965 29.700 0.173 0.000 1.070 358 E HN 0.382 nan 8.360 nan 0.000 0.399 359 H N 1.515 120.629 119.070 0.072 0.000 2.865 359 H HA 0.255 4.811 4.556 0.000 0.000 0.362 359 H C -1.623 173.736 175.328 0.053 0.000 1.114 359 H CA -0.683 55.403 56.048 0.063 0.000 1.208 359 H CB 1.088 30.876 29.762 0.043 0.000 1.727 359 H HN 0.365 nan 8.280 nan 0.000 0.534 360 H N 6.272 124.991 119.070 -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 -0.445 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 32.409 31.700 -0.198 0.000 0.783 362 L N -1.870 119.336 121.223 -0.027 0.000 2.269 362 L HA 0.046 4.386 4.340 0.000 0.000 0.200 362 L C 2.386 179.111 176.870 -0.243 0.000 1.069 362 L CA 0.903 55.645 54.840 -0.164 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 -0.697 118.313 119.070 -0.099 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 0.317 29.840 29.762 -0.399 0.000 1.382 363 H HN 0.447 nan 8.280 nan 0.000 0.577 364 G N 1.487 110.193 108.800 -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 0.600 175.403 174.900 -0.162 0.000 1.153 364 G CA 0.306 45.259 45.100 -0.244 0.000 0.968 364 G HN 0.462 nan 8.290 nan 0.000 0.544 365 Q N 0.049 119.776 119.800 -0.122 0.000 2.280 365 Q HA 0.451 4.791 4.340 0.000 0.000 0.202 365 Q C 0.453 176.502 176.000 0.082 0.000 0.903 365 Q CA -0.058 55.708 55.803 -0.061 0.000 0.948 365 Q CB 0.868 29.462 28.738 -0.241 0.000 1.058 365 Q HN 0.383 nan 8.270 nan 0.000 0.493 366 V N 1.852 121.812 119.914 0.076 0.000 2.498 366 V HA 0.188 4.309 4.120 0.000 0.000 0.279 366 V C 0.161 176.298 176.094 0.072 0.000 1.048 366 V CA -0.026 62.339 62.300 0.107 0.000 0.967 366 V CB 1.022 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 4.361 123.996 119.600 0.057 0.000 2.598 367 M HA 0.569 5.049 4.480 0.000 0.000 0.317 367 M C -0.599 175.635 176.300 -0.110 0.000 1.201 367 M CA -0.743 54.546 55.300 -0.019 0.000 0.971 367 M CB 1.684 34.236 32.600 -0.080 0.000 1.657 367 M HN 0.967 nan 8.290 nan 0.000 0.470 368 D N -1.896 118.455 120.400 -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 53.308 54.000 -0.071 0.000 0.831 368 D CB 1.234 42.024 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 -0.370 3.980 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 1.571 58.008 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 -0.353 119.499 119.800 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 2.292 58.154 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 1.140 115.773 114.554 0.131 0.000 2.622 371 T HA -0.183 4.167 4.350 0.000 0.000 0.266 371 T C 1.957 176.745 174.700 0.147 0.000 1.047 371 T CA 1.689 63.878 62.100 0.148 0.000 1.159 371 T CB -0.259 68.720 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 2.438 178.869 176.300 0.218 0.000 1.071 372 M CA 1.542 57.007 55.300 0.274 0.000 1.096 372 M CB -0.759 32.028 32.600 0.313 0.000 1.330 372 M HN 0.115 nan 8.290 nan 0.000 0.403 373 V N -0.252 119.732 119.914 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 64.088 62.300 -0.001 0.000 1.064 373 V CB -0.814 31.032 31.823 0.037 0.000 0.675 373 V HN 0.541 nan 8.190 nan 0.000 0.461 374 Q N -0.220 119.621 119.800 0.068 0.000 2.050 374 Q HA -0.255 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 2.011 57.870 55.803 0.093 0.000 0.840 374 Q CB -0.088 28.721 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 1.180 55.294 54.000 0.191 0.000 0.828 375 D CB -0.274 40.630 40.800 0.172 0.000 0.963 375 D HN 0.324 nan 8.370 nan 0.000 0.450 376 I N 0.662 121.186 120.570 -0.076 0.000 2.208 376 I HA -0.254 3.916 4.170 0.000 0.000 0.245 376 I C 2.385 178.378 176.117 -0.208 0.000 1.097 376 I CA 0.680 61.834 61.300 -0.244 0.000 1.363 376 I CB -0.143 37.602 38.000 -0.426 0.000 1.051 376 I HN 0.050 nan 8.210 nan 0.000 0.413 377 L N -0.008 121.137 121.223 -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 0.316 nan 8.230 nan 0.000 0.433 378 L N -0.755 120.566 121.223 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 1.453 56.475 54.840 0.303 0.000 0.748 378 L CB -0.313 42.053 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 1.891 178.480 176.600 -0.017 0.000 1.048 380 K CA 1.465 57.630 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 0.860 177.154 176.000 0.488 0.000 0.963 381 Q CA 0.572 56.649 55.803 0.456 0.000 0.894 381 Q CB 0.168 29.155 28.738 0.414 0.000 0.965 381 Q HN 0.245 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 -0.598 175.029 175.510 0.195 0.000 1.126 382 N CA 0.062 53.346 53.050 0.390 0.000 0.846 382 N CB 0.657 39.451 38.487 0.512 0.000 1.050 382 N HN 0.162 nan 8.380 nan 0.000 0.502 383 N N 0.005 118.811 118.700 0.177 0.000 2.829 383 N HA -0.181 4.559 4.740 0.000 0.000 0.250 383 N C -0.846 174.562 175.510 -0.170 0.000 1.090 383 N CA 0.717 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 1.183 121.131 119.950 -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 -0.502 57.483 58.000 -0.025 0.000 1.149 384 F CB 0.812 39.777 39.000 -0.058 0.000 1.190 384 F HN 0.045 nan 8.300 nan 0.000 0.533 385 N N 0.614 119.429 118.700 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 0.090 0.000 0.890 385 N CB 0.726 39.316 38.487 0.172 0.000 1.116 385 N HN 0.483 nan 8.380 nan 0.000 0.517 386 A N -0.540 122.401 122.820 0.202 0.000 2.606 386 A HA 0.766 5.086 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 -0.636 51.578 52.037 0.294 0.000 0.685 386 A CB 1.734 20.949 19.000 0.358 0.000 1.284 386 A HN 0.287 nan 8.150 nan 0.000 0.408 387 V N 0.783 120.946 119.914 0.415 0.000 2.971 387 V HA 0.833 4.953 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 0.180 0.000 1.029 387 V HN 1.167 nan 8.190 nan 0.000 0.427 388 R N 4.476 124.974 120.500 -0.003 0.000 2.387 388 R HA 0.493 4.833 4.340 0.000 0.000 0.314 388 R C -0.804 175.368 176.300 -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 -0.702 0.000 1.147 388 R HN 0.833 nan 8.270 nan 0.000 0.447 389 C N 4.223 123.423 119.300 -0.167 0.000 3.329 389 C HA 0.098 4.558 4.460 0.000 0.000 0.537 389 C C 0.539 175.256 174.990 -0.455 0.000 1.034 389 C CA -0.423 58.443 59.018 -0.255 0.000 1.086 389 C CB -2.194 25.505 27.740 -0.068 0.000 1.392 389 C HN 0.687 nan 8.230 nan 0.000 0.612 390 S N 1.376 116.701 115.700 -0.626 0.000 2.481 390 S HA 0.155 4.625 4.470 0.000 0.000 0.282 390 S C -0.114 173.623 174.600 -1.438 0.000 1.243 390 S CA 0.167 57.743 58.200 -1.039 0.000 1.078 390 S CB 0.079 62.608 63.200 -1.118 0.000 0.916 390 S HN 0.727 nan 8.310 nan 0.000 0.495 391 H N 3.535 121.989 119.070 -1.027 0.000 2.597 391 H HA 0.317 4.873 4.556 0.000 0.000 0.225 391 H C -1.149 174.008 175.328 -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 29.598 29.762 -0.048 0.000 1.783 391 H HN 0.889 nan 8.280 nan 0.000 0.513 392 Y N -2.749 117.649 120.300 0.163 0.000 2.765 392 Y HA 0.391 4.941 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 -0.023 38.543 38.460 0.176 0.000 1.368 392 Y HN -0.081 nan 8.280 nan 0.000 0.463 393 P HA 0.176 nan 4.420 nan 0.000 0.269 393 P C -0.669 176.922 177.300 0.484 0.000 1.209 393 P CA 0.132 63.485 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 0.164 119.155 118.700 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 1.793 120.966 119.070 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 55.361 56.048 0.178 0.000 1.429 395 H CB 1.042 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 64.188 63.100 0.347 0.000 0.849 396 P CB 0.155 31.892 31.700 0.061 0.000 0.787 397 L N -1.505 120.080 121.223 0.604 0.000 2.201 397 L HA -0.038 4.302 4.340 0.000 0.000 0.212 397 L C 2.258 179.340 176.870 0.354 0.000 1.105 397 L CA 1.345 56.462 54.840 0.463 0.000 0.775 397 L CB -1.282 41.059 42.059 0.469 0.000 0.913 397 L HN 0.052 nan 8.230 nan 0.000 0.440 398 W N -0.282 121.088 121.300 0.116 0.000 2.318 398 W HA -0.360 4.300 4.660 0.000 0.000 0.313 398 W C 2.105 178.504 176.519 -0.199 0.000 1.221 398 W CA 2.083 59.350 57.345 -0.130 0.000 1.266 398 W CB -0.426 28.823 29.460 -0.352 0.000 1.150 398 W HN 0.279 nan 8.180 nan 0.000 0.496 399 Y N 0.583 120.833 120.300 -0.083 0.000 2.224 399 Y HA -0.231 4.319 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 -1.334 36.579 38.460 -0.911 0.000 0.983 399 Y HN -0.197 nan 8.280 nan 0.000 0.524 400 T N 0.490 115.061 114.554 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 1.111 63.294 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 0.447 121.673 121.223 0.006 0.000 2.046 401 L HA -0.135 4.205 4.340 0.000 0.000 0.208 401 L C 2.865 179.727 176.870 -0.014 0.000 1.077 401 L CA 1.062 55.929 54.840 0.046 0.000 0.747 401 L CB -0.756 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 -0.227 118.892 119.300 -0.301 0.000 2.425 402 C HA -0.144 4.316 4.460 0.000 0.000 0.277 402 C C 2.398 177.423 174.990 0.059 0.000 1.280 402 C CA 0.383 59.262 59.018 -0.232 0.000 1.744 402 C CB -0.844 26.649 27.740 -0.411 0.000 1.989 402 C HN 0.543 nan 8.230 nan 0.000 0.491 403 D N 0.443 120.879 120.400 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 0.309 0.000 0.984 403 D CA 1.183 55.288 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 -0.964 119.614 120.500 0.130 0.000 2.080 404 R HA 0.012 4.352 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 -0.175 30.036 30.300 -0.148 0.000 0.879 404 R HN 0.265 nan 8.270 nan 0.000 0.439 405 Y N -0.152 120.161 120.300 0.021 0.000 2.395 405 Y HA 0.126 4.676 4.550 0.000 0.000 0.293 405 Y C 1.028 176.860 175.900 -0.113 0.000 1.123 405 Y CA 0.870 58.954 58.100 -0.028 0.000 1.227 405 Y CB 0.594 39.008 38.460 -0.078 0.000 1.012 405 Y HN 0.257 nan 8.280 nan 0.000 0.552 406 G N 1.135 109.957 108.800 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 0.751 121.880 121.223 -0.156 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 -0.065 0.000 0.978 407 L CA -1.333 53.377 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 1.795 122.201 120.300 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 3.755 123.849 119.914 0.300 0.000 2.735 409 V HA 0.384 4.504 4.120 0.000 0.000 0.310 409 V C -0.702 175.477 176.094 0.142 0.000 1.061 409 V CA -1.039 61.386 62.300 0.208 0.000 0.913 409 V CB 2.067 33.981 31.823 0.151 0.000 1.005 409 V HN 0.450 nan 8.190 nan 0.000 0.428 410 V N 2.595 122.568 119.914 0.099 0.000 2.347 410 V HA 0.370 4.490 4.120 0.000 0.000 0.280 410 V C -0.448 175.689 176.094 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 33.311 31.823 -0.112 0.000 0.990 410 V HN 0.889 nan 8.190 nan 0.000 0.444 411 D N 3.989 124.461 120.400 0.119 0.000 2.249 411 D HA 0.333 4.973 4.640 0.000 0.000 0.246 411 D C -0.273 176.204 176.300 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 42.336 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 0.241 0.000 2.210 412 E HA 0.609 4.959 4.350 0.000 0.000 0.266 412 E C -1.018 175.714 176.600 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 0.021 4.341 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 -0.152 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 1.315 120.141 118.700 0.209 0.000 3.103 414 N HA 0.226 4.966 4.740 0.000 0.000 0.305 414 N C -0.950 174.683 175.510 0.204 0.000 1.232 414 N CA 0.227 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 0.662 121.343 120.570 0.186 0.000 2.500 415 I HA 0.280 4.450 4.170 0.000 0.000 0.286 415 I C -0.598 175.608 176.117 0.148 0.000 1.063 415 I CA -0.680 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 0.211 nan 8.210 nan 0.000 0.435 416 E N 4.270 124.554 120.200 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 56.023 56.400 0.097 0.000 0.802 416 E CB 1.597 31.340 29.700 0.072 0.000 1.267 416 E HN 0.654 nan 8.360 nan 0.000 0.406 417 T N 0.758 115.361 114.554 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 1.259 120.249 119.070 -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 -0.284 29.331 29.762 -0.244 0.000 1.359 418 H HN 0.583 nan 8.280 nan 0.000 0.488 419 G N 0.245 108.881 108.800 -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 0.562 175.556 174.900 0.156 0.000 1.145 419 G CA -0.084 44.890 45.100 -0.209 0.000 0.791 419 G HN 0.152 nan 8.290 nan 0.000 0.530 420 M N 0.020 119.751 119.600 0.218 0.000 2.113 420 M HA 0.346 4.826 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 2.203 122.124 119.914 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 60.972 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 0.274 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 62.539 63.100 -0.016 0.000 0.795 422 P CB 0.752 32.444 31.700 -0.013 0.000 1.038 423 M N 0.811 120.412 119.600 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 -0.266 118.441 118.700 0.012 0.000 2.251 424 N HA -0.046 4.694 4.740 0.000 0.000 0.217 424 N C 1.080 176.553 175.510 -0.063 0.000 1.124 424 N CA 0.055 53.106 53.050 0.003 0.000 0.843 424 N CB -0.638 37.869 38.487 0.034 0.000 1.024 424 N HN 0.353 nan 8.380 nan 0.000 0.501 425 R N 0.536 120.989 120.500 -0.079 0.000 2.103 425 R HA -0.026 4.314 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 1.555 57.584 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 -0.729 120.308 121.223 -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 1.184 55.706 54.840 -0.529 0.000 0.790 426 L CB -0.612 40.863 42.059 -0.974 0.000 0.942 426 L HN 0.363 nan 8.230 nan 0.000 0.452 427 T N -3.910 110.504 114.554 -0.232 0.000 2.977 427 T HA -0.194 4.156 4.350 0.000 0.000 0.271 427 T C 1.221 175.801 174.700 -0.200 0.000 1.105 427 T CA 1.346 63.294 62.100 -0.254 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 1.210 121.532 120.400 -0.130 0.000 2.342 428 D HA 0.142 4.782 4.640 0.000 0.000 0.221 428 D C -0.466 175.802 176.300 -0.054 0.000 1.101 428 D CA -0.247 53.696 54.000 -0.096 0.000 0.837 428 D CB -0.026 40.729 40.800 -0.076 0.000 0.938 428 D HN 0.342 nan 8.370 nan 0.000 0.508 429 D N -0.515 119.869 120.400 -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 -2.280 51.749 54.000 0.048 0.000 0.832 429 D CB 2.310 43.176 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 1.013 64.121 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 -1.923 118.589 120.500 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 1.257 57.299 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 -0.605 120.636 121.300 -0.099 0.000 3.278 432 W HA 0.161 4.821 4.660 0.000 0.000 0.308 432 W C 1.353 177.809 176.519 -0.105 0.000 1.253 432 W CA -0.524 56.761 57.345 -0.100 0.000 1.759 432 W CB 0.037 29.434 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 -0.083 4.257 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 2.110 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 0.018 0.000 1.186 435 A CA 1.954 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 0.087 nan 8.150 nan 0.000 0.443 436 M N -0.220 119.399 119.600 0.032 0.000 2.159 436 M HA -0.144 4.336 4.480 0.000 0.000 0.263 436 M C 2.579 178.829 176.300 -0.085 0.000 1.063 436 M CA 1.717 57.011 55.300 -0.010 0.000 1.110 436 M CB -0.468 32.104 32.600 -0.046 0.000 1.374 436 M HN 0.658 nan 8.290 nan 0.000 0.411 437 S N 0.694 116.318 115.700 -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 1.546 59.609 58.200 -0.228 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 0.733 120.822 120.200 -0.186 0.000 2.110 438 E HA -0.112 4.238 4.350 0.000 0.000 0.193 438 E C 2.417 178.932 176.600 -0.141 0.000 0.988 438 E CA 0.916 57.214 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 0.264 120.709 120.500 -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 -0.031 30.279 30.300 0.017 0.000 0.866 439 R HN 0.007 nan 8.270 nan 0.000 0.446 440 V N 0.006 119.832 119.914 -0.147 0.000 2.374 440 V HA -0.169 3.951 4.120 0.000 0.000 0.241 440 V C 2.411 178.341 176.094 -0.274 0.000 1.034 440 V CA 2.001 64.198 62.300 -0.172 0.000 1.037 440 V CB -0.306 31.412 31.823 -0.176 0.000 0.682 440 V HN 0.513 nan 8.190 nan 0.000 0.463 441 T N -0.379 113.887 114.554 -0.480 0.000 2.665 441 T HA -0.293 4.057 4.350 0.000 0.000 0.268 441 T C 1.949 176.497 174.700 -0.253 0.000 1.035 441 T CA 1.694 63.437 62.100 -0.595 0.000 1.151 441 T CB -0.473 67.900 68.868 -0.824 0.000 0.862 441 T HN 0.394 nan 8.240 nan 0.000 0.438 442 R N 0.346 120.719 120.500 -0.212 0.000 2.096 442 R HA 0.119 4.459 4.340 0.000 0.000 0.235 442 R C 2.697 178.921 176.300 -0.127 0.000 1.127 442 R CA 1.551 57.563 56.100 -0.147 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 0.652 120.183 119.600 -0.114 0.000 2.086 443 M HA -0.160 4.320 4.480 0.000 0.000 0.261 443 M C 1.950 178.168 176.300 -0.136 0.000 1.067 443 M CA 1.663 56.919 55.300 -0.073 0.000 1.116 443 M CB 0.051 32.642 32.600 -0.015 0.000 1.348 443 M HN -0.015 nan 8.290 nan 0.000 0.407 444 V N 0.853 120.590 119.914 -0.295 0.000 2.343 444 V HA -0.305 3.815 4.120 0.000 0.000 0.247 444 V C 2.282 178.260 176.094 -0.194 0.000 1.051 444 V CA 2.056 64.067 62.300 -0.483 0.000 1.036 444 V CB -0.922 30.589 31.823 -0.520 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 57.449 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 0.535 nan 8.270 nan 0.000 0.429 446 R N 0.156 120.565 120.500 -0.153 0.000 2.100 446 R HA -0.085 4.255 4.340 0.000 0.000 0.220 446 R C 0.560 176.779 176.300 -0.135 0.000 1.091 446 R CA 1.247 57.234 56.100 -0.189 0.000 0.986 446 R CB 0.415 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 -0.142 120.236 120.400 -0.035 0.000 2.369 447 D HA -0.007 4.633 4.640 0.000 0.000 0.211 447 D C 1.197 177.585 176.300 0.147 0.000 1.077 447 D CA 0.185 54.209 54.000 0.040 0.000 0.842 447 D CB 0.365 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 0.080 4.420 4.340 0.000 0.000 0.202 448 R C 0.873 177.149 176.300 -0.039 0.000 1.047 448 R CA 0.850 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 0.077 118.675 118.700 -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 0.146 38.435 38.487 -0.330 0.000 0.974 449 N HN 0.306 nan 8.380 nan 0.000 0.482 450 H N 1.722 120.702 119.070 -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 -0.125 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 1.354 178.201 177.300 -0.755 0.000 1.149 451 P CA 1.162 63.905 63.100 -0.594 0.000 0.817 451 P CB 0.267 31.392 31.700 -0.958 0.000 0.785 452 S N -1.240 114.092 115.700 -0.613 0.000 2.481 452 S HA 0.000 4.471 4.470 0.000 0.000 0.231 452 S C 1.023 175.594 174.600 -0.050 0.000 0.996 452 S CA 0.065 58.085 58.200 -0.299 0.000 0.942 452 S CB -1.232 61.945 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 -0.115 0.000 2.439 453 V HA 0.267 4.387 4.120 0.000 0.000 0.271 453 V C 1.024 176.976 176.094 -0.237 0.000 1.040 453 V CA -0.130 62.072 62.300 -0.163 0.000 1.002 453 V CB 0.546 32.175 31.823 -0.323 0.000 1.000 453 V HN 0.628 nan 8.190 nan 0.000 0.477 454 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 0.322 176.321 176.117 -0.197 0.000 1.322 454 I CA 0.394 61.613 61.300 -0.134 0.000 1.149 454 I CB 0.480 38.479 38.000 -0.000 0.000 1.112 454 I HN 0.308 nan 8.210 nan 0.000 0.403 455 I N 0.065 120.498 120.570 -0.228 0.000 2.802 455 I HA 0.381 4.551 4.170 0.000 0.000 0.298 455 I C -1.559 174.443 176.117 -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 3.391 124.735 121.300 0.073 0.000 2.496 456 W HA 0.637 5.297 4.660 0.000 0.000 0.327 456 W C 0.281 176.860 176.519 0.099 0.000 1.086 456 W CA -0.679 56.715 57.345 0.081 0.000 1.222 456 W CB 1.798 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 2.633 118.561 115.700 0.380 0.000 2.521 457 S HA 0.411 4.881 4.470 0.000 0.000 0.295 457 S C 0.143 174.903 174.600 0.267 0.000 1.098 457 S CA -0.698 57.669 58.200 0.279 0.000 0.999 457 S CB 0.853 64.170 63.200 0.195 0.000 1.034 457 S HN 0.581 nan 8.310 nan 0.000 0.483 458 L N 4.030 125.405 121.223 0.254 0.000 2.599 458 L HA 0.376 4.716 4.340 0.000 0.000 0.230 458 L C 1.358 178.301 176.870 0.122 0.000 1.141 458 L CA 0.465 55.386 54.840 0.135 0.000 0.877 458 L CB -0.991 41.055 42.059 -0.021 0.000 1.009 458 L HN 0.977 nan 8.230 nan 0.000 0.447 459 G N -0.105 108.837 108.800 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 -1.784 173.287 174.900 0.285 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 -0.432 175.036 175.510 -0.070 0.000 1.170 460 N CA -0.022 53.004 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 0.442 120.507 120.200 -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 0.725 56.922 56.400 -0.338 0.000 0.672 461 E CB -1.252 27.971 29.700 -0.795 0.000 1.057 461 E HN 0.391 nan 8.360 nan 0.000 0.321 462 S N 0.055 115.820 115.700 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 -0.167 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 0.599 119.788 119.070 0.199 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 0.072 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 1.414 110.218 108.800 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 0.476 175.204 174.900 -0.287 0.000 1.341 465 G CA -0.159 44.797 45.100 -0.242 0.000 0.932 465 G HN 0.648 nan 8.290 nan 0.000 0.481 466 A N 0.087 122.792 122.820 -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 -0.061 0.000 1.164 466 A CA 1.928 53.907 52.037 -0.097 0.000 0.643 466 A CB -0.433 18.536 19.000 -0.053 0.000 0.806 466 A HN 0.515 nan 8.150 nan 0.000 0.451 467 N N -0.339 118.284 118.700 -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 1.652 54.619 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 0.260 119.287 119.070 -0.072 0.000 2.326 468 H HA -0.027 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 0.165 29.888 29.762 -0.064 0.000 1.385 468 H HN 0.173 nan 8.280 nan 0.000 0.504 469 D N 0.482 121.027 120.400 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 0.692 123.606 122.820 0.156 0.000 1.902 470 A HA -0.127 4.193 4.320 0.000 0.000 0.217 470 A C 2.402 180.093 177.584 0.180 0.000 1.181 470 A CA 1.003 53.125 52.037 0.141 0.000 0.623 470 A CB -0.728 18.314 19.000 0.070 0.000 0.818 470 A HN 0.217 nan 8.150 nan 0.000 0.443 471 L N -2.281 119.039 121.223 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 1.344 56.284 54.840 0.167 0.000 0.779 471 L CB -0.646 41.448 42.059 0.057 0.000 0.922 471 L HN 0.596 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 -0.076 nan 8.280 nan 0.000 0.505 473 R N -0.019 120.583 120.500 0.169 0.000 2.096 473 R HA -0.228 4.112 4.340 0.000 0.000 0.235 473 R C 2.070 178.362 176.300 -0.013 0.000 1.127 473 R CA 1.822 57.939 56.100 0.029 0.000 0.968 473 R CB -1.584 28.821 30.300 0.176 0.000 0.861 473 R HN 0.680 nan 8.270 nan 0.000 0.440 474 W N 1.020 122.275 121.300 -0.075 0.000 2.355 474 W HA -0.144 4.516 4.660 0.000 0.000 0.309 474 W C 1.839 178.267 176.519 -0.152 0.000 1.206 474 W CA 1.574 58.863 57.345 -0.094 0.000 1.284 474 W CB -0.315 29.095 29.460 -0.084 0.000 1.145 474 W HN -0.017 nan 8.180 nan 0.000 0.502 475 I N 0.832 121.369 120.570 -0.055 0.000 2.226 475 I HA -0.325 3.845 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 0.901 121.097 120.400 -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 1.334 57.446 56.287 -0.292 0.000 0.933 476 K CB -0.411 31.887 32.500 -0.338 0.000 0.721 476 K HN 0.301 nan 8.250 nan 0.000 0.447 477 S N 0.530 116.041 115.700 -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 0.621 58.644 58.200 -0.295 0.000 0.965 477 S CB -0.025 63.009 63.200 -0.276 0.000 0.812 477 S HN -0.016 nan 8.310 nan 0.000 0.482 478 V N 1.266 120.818 119.914 -0.602 0.000 2.649 478 V HA 0.064 4.184 4.120 0.000 0.000 0.248 478 V C 0.310 176.173 176.094 -0.386 0.000 1.054 478 V CA 1.161 63.099 62.300 -0.603 0.000 1.073 478 V CB -0.124 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 -1.553 52.380 54.000 -0.110 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 1.031 178.345 177.300 0.022 0.000 1.191 480 P CA 0.345 63.434 63.100 -0.020 0.000 0.771 480 P CB 0.158 31.838 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 0.079 4.549 4.470 0.000 0.000 0.225 481 S C 0.876 175.497 174.600 0.034 0.000 0.977 481 S CA -0.095 58.131 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 1.008 121.540 120.500 0.053 0.000 2.673 482 R HA 0.551 4.891 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 -2.178 53.919 56.100 -0.006 0.000 0.896 482 R CB 1.582 31.766 30.300 -0.193 0.000 1.201 482 R HN 0.129 nan 8.270 nan 0.000 0.457 483 P HA 0.170 nan 4.420 nan 0.000 0.274 483 P C -0.790 176.608 177.300 0.163 0.000 1.246 483 P CA -0.478 62.679 63.100 0.094 0.000 0.795 483 P CB 0.724 32.466 31.700 0.070 0.000 1.006 484 V N 1.621 121.661 119.914 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 62.122 62.300 0.292 0.000 0.887 484 V CB 1.278 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 3.461 123.416 119.800 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 31.772 28.738 0.104 0.000 1.419 485 Q HN 0.660 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 -0.507 175.329 175.900 -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 40.389 38.460 -0.066 0.000 1.283 486 Y HN 0.963 nan 8.280 nan 0.000 0.418 487 E N 3.496 123.240 120.200 -0.759 0.000 2.299 487 E HA 0.109 4.459 4.350 0.000 0.000 0.193 487 E C 0.714 176.857 176.600 -0.760 0.000 0.998 487 E CA 0.749 56.779 56.400 -0.616 0.000 0.851 487 E CB 0.238 29.686 29.700 -0.420 0.000 0.795 487 E HN 0.889 nan 8.360 nan 0.000 0.492 488 G N -0.187 107.741 108.800 -1.453 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 44.915 45.100 -0.738 0.000 0.847 488 G HN 0.329 nan 8.290 nan 0.000 0.583 489 G N -0.643 108.104 108.800 -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 1.035 46.146 45.100 0.019 0.000 0.769 489 G HN 2.600 nan 8.290 nan 0.000 0.507 490 G N -1.683 107.101 108.800 -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 1.071 176.057 174.900 0.144 0.000 1.000 490 G CA 1.327 46.467 45.100 0.068 0.000 0.663 490 G HN 2.347 nan 8.290 nan 0.000 0.493 491 A N -0.183 122.615 122.820 -0.037 0.000 3.413 491 A HA -0.103 4.217 4.320 0.000 0.000 0.268 491 A C 1.115 178.632 177.584 -0.111 0.000 1.128 491 A CA 2.660 54.625 52.037 -0.120 0.000 1.062 491 A CB -1.804 17.106 19.000 -0.150 0.000 1.121 491 A HN 2.131 nan 8.150 nan 0.000 0.895 492 D N -1.116 119.289 120.400 0.008 0.000 2.636 492 D HA 0.286 4.926 4.640 0.000 0.000 0.270 492 D C 0.460 176.744 176.300 -0.028 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 0.240 0.000 1.117 492 D HN 0.862 nan 8.370 nan 0.000 0.480 493 T N -2.069 112.403 114.554 -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 62.613 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 -2.345 112.060 114.554 -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 0.930 178.303 177.584 -0.353 0.000 1.272 495 A CA -0.167 51.572 52.037 -0.496 0.000 0.886 495 A CB 0.022 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 -0.592 174.123 174.700 0.025 0.000 1.052 496 T CA -0.454 61.636 62.100 -0.017 0.000 0.996 496 T CB 1.326 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 54.737 54.000 0.131 0.000 0.867 497 D CB 0.393 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 0.804 121.381 120.570 0.013 0.000 2.582 498 I HA 0.259 4.429 4.170 0.000 0.000 0.292 498 I C -0.305 175.745 176.117 -0.111 0.000 1.066 498 I CA -0.907 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 5.435 125.893 120.570 -0.185 0.000 2.436 499 I HA 0.082 4.252 4.170 0.000 0.000 0.289 499 I C 0.028 175.937 176.117 -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 5.526 124.637 119.300 -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 56.591 59.018 -0.234 0.000 1.437 500 C CB -0.877 26.783 27.740 -0.132 0.000 1.850 500 C HN 0.401 nan 8.230 nan 0.000 0.481 501 P HA 0.380 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 -0.430 119.128 119.600 -0.069 0.000 2.197 502 M HA 0.475 4.955 4.480 0.000 0.000 0.301 502 M C -0.986 175.271 176.300 -0.071 0.000 0.987 502 M CA -0.652 54.516 55.300 -0.221 0.000 0.921 502 M CB 1.526 33.966 32.600 -0.268 0.000 1.569 502 M HN 0.340 nan 8.290 nan 0.000 0.431 503 Y N -0.301 120.144 120.300 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 0.241 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 1.221 124.235 122.820 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 51.764 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 1.376 122.003 120.500 0.211 0.000 2.546 505 R HA 0.333 4.673 4.340 0.000 0.000 0.266 505 R C 0.952 177.223 176.300 -0.048 0.000 1.086 505 R CA -0.753 55.411 56.100 0.106 0.000 1.160 505 R CB 0.538 30.872 30.300 0.057 0.000 1.138 505 R HN 0.468 nan 8.270 nan 0.000 0.567 506 V N 0.630 120.369 119.914 -0.292 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 -1.585 118.733 120.400 -0.136 0.000 2.479 507 D HA 0.155 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 54.018 54.000 -0.080 0.000 0.841 507 D CB 0.838 41.596 40.800 -0.071 0.000 1.040 507 D HN 0.482 nan 8.370 nan 0.000 0.505 508 E N 1.222 121.408 120.200 -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 31.194 29.700 -0.011 0.000 1.109 508 E HN -0.122 nan 8.360 nan 0.000 0.394 509 D N 1.961 122.357 120.400 -0.005 0.000 2.193 509 D HA 0.174 4.814 4.640 0.000 0.000 0.249 509 D C -0.646 175.553 176.300 -0.169 0.000 1.034 509 D CA -0.164 53.825 54.000 -0.017 0.000 0.902 509 D CB 1.184 42.037 40.800 0.089 0.000 1.182 509 D HN 0.236 nan 8.370 nan 0.000 0.436 510 Q N 1.694 121.280 119.800 -0.357 0.000 2.616 510 Q HA 0.275 4.615 4.340 0.000 0.000 0.250 510 Q C -2.312 173.041 176.000 -1.078 0.000 0.991 510 Q CA -1.608 53.789 55.803 -0.676 0.000 0.707 510 Q CB 2.525 30.864 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 0.214 511 P C -0.774 176.204 177.300 -0.537 0.000 1.826 511 P CA -0.168 62.516 63.100 -0.694 0.000 0.977 511 P CB -0.523 30.966 31.700 -0.352 0.000 1.930 512 F N 2.615 122.418 119.950 -0.244 0.000 2.459 512 F HA 0.243 4.770 4.527 0.000 0.000 0.346 512 F C -1.169 174.526 175.800 -0.175 0.000 1.128 512 F CA -2.567 55.334 58.000 -0.166 0.000 1.268 512 F CB -0.346 38.570 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 0.858 63.976 63.100 0.029 0.000 0.768 513 P CB 1.176 32.893 31.700 0.029 0.000 0.842 514 A N 3.008 125.830 122.820 0.004 0.000 2.617 514 A HA -0.253 4.067 4.320 0.000 0.000 0.236 514 A C 0.723 178.306 177.584 -0.001 0.000 0.514 514 A CA 2.090 54.132 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 -2.434 173.657 176.094 -0.004 0.000 0.996 515 V CA -1.205 61.094 62.300 -0.002 0.000 1.095 515 V CB 0.752 32.582 31.823 0.011 0.000 1.325 515 V HN 0.479 nan 8.190 nan 0.000 0.574 516 P HA 0.352 nan 4.420 nan 0.000 0.274 516 P C -0.756 176.098 177.300 -0.745 0.000 1.246 516 P CA -0.024 62.713 63.100 -0.606 0.000 0.795 516 P CB 1.056 31.984 31.700 -1.287 0.000 1.006 517 K N 1.650 121.620 120.400 -0.717 0.000 2.521 517 K HA 0.252 4.572 4.320 0.000 0.000 0.248 517 K C -0.529 175.752 176.600 -0.531 0.000 0.978 517 K CA -0.282 55.748 56.287 -0.430 0.000 0.947 517 K CB 0.717 33.265 32.500 0.080 0.000 1.165 517 K HN 0.473 nan 8.250 nan 0.000 0.445 518 W N 1.391 122.377 121.300 -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 -0.686 56.450 57.345 -0.349 0.000 1.306 518 W CB 0.556 29.632 29.460 -0.640 0.000 1.140 518 W HN 0.409 nan 8.180 nan 0.000 0.613 519 S N 3.081 118.934 115.700 0.255 0.000 2.552 519 S HA -0.071 4.399 4.470 0.000 0.000 0.289 519 S C 1.150 175.888 174.600 0.229 0.000 1.304 519 S CA -0.292 58.002 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 2.349 123.023 120.570 0.173 0.000 2.454 520 I HA -0.157 4.013 4.170 0.000 0.000 0.254 520 I C 1.835 177.969 176.117 0.028 0.000 1.156 520 I CA 1.149 62.554 61.300 0.174 0.000 1.433 520 I CB -0.496 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 2.051 122.374 120.400 -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 -0.038 0.000 1.052 521 K CA 1.523 57.653 56.287 -0.261 0.000 0.948 521 K CB -0.281 31.968 32.500 -0.417 0.000 0.728 521 K HN 0.451 nan 8.250 nan 0.000 0.448 522 K N 0.589 120.993 120.400 0.006 0.000 2.167 522 K HA -0.134 4.186 4.320 0.000 0.000 0.203 522 K C 1.865 178.464 176.600 -0.003 0.000 1.052 522 K CA 0.511 56.785 56.287 -0.022 0.000 0.956 522 K CB -0.060 32.393 32.500 -0.078 0.000 0.735 522 K HN 0.169 nan 8.250 nan 0.000 0.451 523 W N 2.021 123.277 121.300 -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 1.201 58.515 57.345 -0.052 0.000 1.251 523 W CB -0.408 29.113 29.460 0.102 0.000 1.136 523 W HN 0.108 nan 8.180 nan 0.000 0.526 524 L N 0.766 122.140 121.223 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 56.696 54.840 0.142 0.000 0.769 524 L CB -0.980 41.143 42.059 0.105 0.000 0.908 524 L HN -0.031 nan 8.230 nan 0.000 0.438 525 S N -0.929 114.806 115.700 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 57.742 58.200 0.011 0.000 0.911 525 S CB -0.431 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 2.147 123.334 121.223 -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 -1.726 53.040 54.840 -0.124 0.000 0.850 526 L CB -0.432 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 0.917 63.992 63.100 -0.040 0.000 0.763 527 P CB 0.570 32.241 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 0.254 175.167 174.900 0.022 0.000 0.982 528 G CA 0.000 45.106 45.100 0.009 0.000 0.632 528 G HN 0.605 nan 8.290 nan 0.000 0.529 529 E N 1.138 121.356 120.200 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 0.642 57.073 56.400 0.051 0.000 0.872 529 E CB 0.835 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 -0.436 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 2.167 122.670 120.500 0.004 0.000 2.707 531 R HA 0.469 4.809 4.340 0.000 0.000 0.270 531 R C -2.542 173.737 176.300 -0.037 0.000 1.083 531 R CA -1.735 54.356 56.100 -0.015 0.000 1.182 531 R CB 0.039 30.323 30.300 -0.027 0.000 1.084 531 R HN 0.228 nan 8.270 nan 0.000 0.528 532 P HA 0.136 nan 4.420 nan 0.000 0.276 532 P C -1.118 176.110 177.300 -0.119 0.000 1.252 532 P CA -0.229 62.827 63.100 -0.072 0.000 0.802 532 P CB 0.660 32.318 31.700 -0.070 0.000 1.035 533 L N 2.047 123.180 121.223 -0.150 0.000 2.376 533 L HA 0.583 4.923 4.340 0.000 0.000 0.275 533 L C -1.169 175.562 176.870 -0.232 0.000 0.987 533 L CA -0.565 54.147 54.840 -0.213 0.000 0.828 533 L CB 0.639 42.563 42.059 -0.225 0.000 1.249 533 L HN 0.222 nan 8.230 nan 0.000 0.409 534 I N 5.743 126.180 120.570 -0.221 0.000 2.500 534 I HA 0.265 4.435 4.170 0.000 0.000 0.286 534 I C -0.790 175.234 176.117 -0.154 0.000 1.063 534 I CA -0.557 60.606 61.300 -0.229 0.000 1.062 534 I CB 2.041 39.960 38.000 -0.134 0.000 1.223 534 I HN 0.481 nan 8.210 nan 0.000 0.435 535 L N 5.667 126.771 121.223 -0.198 0.000 2.410 535 L HA 0.052 4.392 4.340 0.000 0.000 0.273 535 L C 1.501 178.440 176.870 0.115 0.000 1.144 535 L CA -0.184 54.601 54.840 -0.092 0.000 0.863 535 L CB 0.737 42.709 42.059 -0.144 0.000 1.140 535 L HN 0.870 nan 8.230 nan 0.000 0.463 536 C N 0.602 119.947 119.300 0.074 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 59.015 59.018 0.127 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 0.608 4.958 4.350 0.000 0.000 0.277 537 E C -1.303 175.249 176.600 -0.080 0.000 0.898 537 E CA -0.396 56.045 56.400 0.070 0.000 0.764 537 E CB 1.835 31.413 29.700 -0.203 0.000 1.216 537 E HN 0.692 nan 8.360 nan 0.000 0.419 538 Y N -0.914 119.377 120.300 -0.014 0.000 2.670 538 Y HA 0.668 5.218 4.550 0.000 0.000 0.334 538 Y C -0.595 175.473 175.900 0.279 0.000 1.185 538 Y CA -0.996 57.107 58.100 0.004 0.000 1.053 538 Y CB 1.025 39.367 38.460 -0.197 0.000 1.298 538 Y HN 0.653 nan 8.280 nan 0.000 0.459 539 A N 1.930 124.810 122.820 0.102 0.000 2.303 539 A HA -0.270 4.050 4.320 0.000 0.000 0.286 539 A C -0.357 177.360 177.584 0.222 0.000 1.429 539 A CA 1.037 53.126 52.037 0.086 0.000 0.738 539 A CB -2.495 16.418 19.000 -0.144 0.000 1.149 539 A HN 1.058 nan 8.150 nan 0.000 0.364 540 H N 0.862 120.085 119.070 0.255 0.000 3.226 540 H HA 0.224 4.780 4.556 0.000 0.000 0.260 540 H C 1.228 176.625 175.328 0.115 0.000 0.967 540 H CA 0.794 57.002 56.048 0.267 0.000 1.435 540 H CB 0.346 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 6.439 129.195 122.820 -0.107 0.000 2.426 541 A HA 0.019 4.339 4.320 0.000 0.000 0.247 541 A C 0.987 178.441 177.584 -0.217 0.000 1.389 541 A CA -0.290 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 0.976 177.125 176.300 -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 32.191 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 -0.772 0.000 1.200 543 G CA -0.045 44.732 45.100 -0.538 0.000 0.951 543 G HN 0.817 nan 8.290 nan 0.000 0.566 544 N N 1.348 119.448 118.700 -1.000 0.000 2.421 544 N HA 0.524 5.264 4.740 0.000 0.000 0.260 544 N C -0.007 175.247 175.510 -0.427 0.000 1.173 544 N CA 1.087 53.678 53.050 -0.765 0.000 0.960 544 N CB 0.524 38.570 38.487 -0.736 0.000 1.273 544 N HN 0.792 nan 8.380 nan 0.000 0.497 545 S N 1.909 117.439 115.700 -0.283 0.000 2.998 545 S HA 0.588 5.058 4.470 0.000 0.000 0.321 545 S C -0.192 174.335 174.600 -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 0.894 55.714 54.840 -0.033 0.000 1.029 546 L CB -1.713 40.239 42.059 -0.178 0.000 2.137 546 L HN 0.702 nan 8.230 nan 0.000 0.713 547 G N -0.853 107.952 108.800 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 1.211 176.163 174.900 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 1.586 110.442 108.800 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 1.001 176.106 174.900 0.341 0.000 0.982 548 G CA 0.719 45.933 45.100 0.190 0.000 0.641 548 G HN 0.775 nan 8.290 nan 0.000 0.527 549 F N 1.873 121.952 119.950 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 2.554 60.748 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 -0.127 122.851 122.820 0.263 0.000 1.972 550 A HA -0.206 4.114 4.320 0.000 0.000 0.219 550 A C 2.297 179.901 177.584 0.032 0.000 1.169 550 A CA 1.618 53.739 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 -1.446 118.961 120.400 0.012 0.000 2.063 551 K HA -0.201 4.119 4.320 0.000 0.000 0.208 551 K C 1.809 178.191 176.600 -0.363 0.000 1.048 551 K CA 1.938 58.142 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 -0.441 0.000 2.145 552 Y HA -0.258 4.292 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 -1.021 0.000 1.148 552 Y CB -0.397 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 -0.191 4.469 4.660 0.000 0.000 0.288 553 W C 2.592 178.933 176.519 -0.298 0.000 1.218 553 W CA 1.585 58.647 57.345 -0.472 0.000 1.245 553 W CB -0.546 28.723 29.460 -0.317 0.000 1.126 553 W HN 0.113 nan 8.180 nan 0.000 0.545 554 Q N -0.029 119.672 119.800 -0.164 0.000 2.079 554 Q HA -0.149 4.191 4.340 0.000 0.000 0.200 554 Q C 2.330 178.259 176.000 -0.118 0.000 0.974 554 Q CA 1.686 57.437 55.803 -0.088 0.000 0.840 554 Q CB -0.330 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 0.153 122.808 122.820 -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 52.938 52.037 -0.207 0.000 0.623 555 A CB -1.001 17.750 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 2.719 178.421 175.800 -0.164 0.000 1.089 556 F CA 1.083 58.883 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 -0.001 120.557 120.500 0.097 0.000 2.148 557 R HA -0.149 4.191 4.340 0.000 0.000 0.223 557 R C 2.113 178.452 176.300 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 -0.571 119.294 119.800 0.109 0.000 2.302 558 Q HA -0.022 4.318 4.340 0.000 0.000 0.202 558 Q C -0.560 175.471 176.000 0.051 0.000 0.936 558 Q CA 0.700 56.557 55.803 0.089 0.000 0.886 558 Q CB 0.472 29.286 28.738 0.127 0.000 0.986 558 Q HN 0.167 nan 8.270 nan 0.000 0.487 559 Y N 0.113 120.395 120.300 -0.030 0.000 2.331 559 Y HA 0.297 4.847 4.550 0.000 0.000 0.338 559 Y C -1.800 174.077 175.900 -0.039 0.000 0.976 559 Y CA -2.858 55.224 58.100 -0.030 0.000 1.137 559 Y CB 1.513 39.958 38.460 -0.024 0.000 1.172 559 Y HN 0.082 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 0.010 0.000 1.157 560 P CA 1.754 64.863 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 -0.948 119.575 120.500 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 0.196 56.296 56.100 0.001 0.000 1.036 561 R CB -0.538 29.771 30.300 0.015 0.000 0.899 561 R HN 0.280 nan 8.270 nan 0.000 0.473 562 L N 1.983 123.200 121.223 -0.010 0.000 2.302 562 L HA 0.147 4.487 4.340 0.000 0.000 0.285 562 L C 0.725 177.454 176.870 -0.234 0.000 1.090 562 L CA 0.061 54.849 54.840 -0.087 0.000 0.866 562 L CB 1.180 43.260 42.059 0.035 0.000 1.244 562 L HN 0.035 nan 8.230 nan 0.000 0.435 563 Q N 2.680 122.277 119.800 -0.339 0.000 2.222 563 Q HA 0.309 4.649 4.340 0.000 0.000 0.206 563 Q C 0.855 176.449 176.000 -0.677 0.000 0.877 563 Q CA 0.128 55.691 55.803 -0.400 0.000 0.958 563 Q CB 0.940 29.529 28.738 -0.248 0.000 1.075 563 Q HN 0.938 nan 8.270 nan 0.000 0.483 564 G N -0.388 107.650 108.800 -1.271 0.000 2.337 564 G HA2 0.170 4.130 3.960 0.000 0.000 0.197 564 G HA3 0.170 4.130 3.960 0.000 0.000 0.197 564 G C -0.435 173.680 174.900 -1.308 0.000 1.238 564 G CA -0.738 43.297 45.100 -1.775 0.000 1.119 564 G HN 0.524 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 -0.166 0.000 1.313 565 G CA -0.351 44.465 45.100 -0.474 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 0.724 176.817 175.800 0.488 0.000 1.130 566 F CA -0.754 57.501 58.000 0.426 0.000 0.962 566 F CB 2.116 41.268 39.000 0.254 0.000 1.171 566 F HN 0.260 nan 8.300 nan 0.000 0.436 567 V N 3.080 123.306 119.914 0.520 0.000 2.963 567 V HA -0.092 4.028 4.120 0.000 0.000 0.306 567 V C -0.319 175.954 176.094 0.300 0.000 1.077 567 V CA -0.332 62.090 62.300 0.203 0.000 1.124 567 V CB 0.943 32.864 31.823 0.165 0.000 0.987 567 V HN 0.779 nan 8.190 nan 0.000 0.487 568 W N 5.993 127.369 121.300 0.126 0.000 2.336 568 W HA 0.468 5.128 4.660 0.000 0.000 0.315 568 W C -1.047 175.491 176.519 0.031 0.000 1.016 568 W CA -0.686 56.765 57.345 0.176 0.000 1.318 568 W CB 1.430 31.138 29.460 0.413 0.000 1.247 568 W HN 0.916 nan 8.180 nan 0.000 0.414 569 D N 2.646 122.718 120.400 -0.547 0.000 2.812 569 D HA 0.123 4.763 4.640 0.000 0.000 0.318 569 D C 0.676 176.761 176.300 -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 40.126 40.800 -1.594 0.000 1.442 569 D HN 0.411 nan 8.370 nan 0.000 0.537 570 W N 0.569 121.562 121.300 -0.512 0.000 2.381 570 W HA 0.081 4.741 4.660 0.000 0.000 0.321 570 W C -0.124 176.169 176.519 -0.377 0.000 1.196 570 W CA 1.358 58.456 57.345 -0.411 0.000 1.304 570 W CB 0.197 29.444 29.460 -0.354 0.000 1.166 570 W HN 0.224 nan 8.180 nan 0.000 0.473 571 V N 0.804 120.525 119.914 -0.320 0.000 2.715 571 V HA 0.295 4.415 4.120 0.000 0.000 0.310 571 V C -0.538 175.358 176.094 -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 -0.218 0.000 1.007 571 V HN -0.125 nan 8.190 nan 0.000 0.437 572 D N 2.058 122.267 120.400 -0.317 0.000 2.455 572 D HA 0.130 4.770 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 0.534 54.401 54.000 -0.221 0.000 0.877 572 D CB 1.063 41.817 40.800 -0.076 0.000 1.187 572 D HN 0.650 nan 8.370 nan 0.000 0.451 573 Q N 1.167 120.773 119.800 -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 55.071 55.803 -0.598 0.000 1.050 573 Q CB 0.198 28.634 28.738 -0.503 0.000 1.498 573 Q HN 0.350 nan 8.270 nan 0.000 0.503 574 S N -0.065 115.734 115.700 0.165 0.000 2.565 574 S HA 0.669 5.139 4.470 0.000 0.000 0.290 574 S C -0.227 174.557 174.600 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 -0.378 176.419 176.870 -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 43.454 42.059 -0.253 0.000 1.278 575 L HN 0.645 nan 8.230 nan 0.000 0.431 576 I N 2.272 122.710 120.570 -0.219 0.000 2.474 576 I HA 0.201 4.371 4.170 0.000 0.000 0.287 576 I C 0.071 175.835 176.117 -0.588 0.000 1.048 576 I CA 0.197 61.250 61.300 -0.412 0.000 1.383 576 I CB 0.738 38.511 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 -1.745 174.089 176.600 -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 33.860 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 -0.152 175.861 175.900 0.189 0.000 0.987 578 Y CA -1.226 56.830 58.100 -0.072 0.000 1.044 578 Y CB 1.356 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 -0.270 120.394 120.400 0.440 0.000 2.340 579 D HA 0.163 4.803 4.640 0.000 0.000 0.251 579 D C 0.480 176.894 176.300 0.190 0.000 1.080 579 D CA -0.659 53.520 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 0.436 120.705 120.200 0.114 0.000 2.253 580 E HA -0.248 4.102 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 1.397 57.837 56.400 0.066 0.000 0.823 580 E CB -0.612 29.111 29.700 0.037 0.000 0.736 580 E HN 0.431 nan 8.360 nan 0.000 0.478 581 N N 0.267 119.011 118.700 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 53.905 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 0.345 nan 8.380 nan 0.000 0.468 582 G N 1.063 109.925 108.800 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 -0.397 174.659 174.900 0.259 0.000 1.041 582 G CA -0.307 44.857 45.100 0.107 0.000 0.807 582 G HN 0.272 nan 8.290 nan 0.000 0.502 583 N N 1.167 120.041 118.700 0.289 0.000 2.438 583 N HA 0.513 5.253 4.740 0.000 0.000 0.282 583 N C -2.527 173.143 175.510 0.267 0.000 1.037 583 N CA -1.418 51.790 53.050 0.262 0.000 0.942 583 N CB 2.172 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 0.360 nan 4.420 nan 0.000 0.288 584 P C -0.568 176.671 177.300 -0.102 0.000 1.267 584 P CA -0.450 62.414 63.100 -0.393 0.000 0.815 584 P CB 0.839 32.295 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 -1.412 174.919 176.519 -0.313 0.000 1.217 585 W CA -1.125 55.977 57.345 -0.406 0.000 1.170 585 W CB 0.442 29.460 29.460 -0.737 0.000 1.437 585 W HN 0.096 nan 8.180 nan 0.000 0.557 586 S N 1.492 117.283 115.700 0.151 0.000 2.474 586 S HA 0.556 5.026 4.470 0.000 0.000 0.276 586 S C 0.125 174.917 174.600 0.320 0.000 1.227 586 S CA -0.211 58.076 58.200 0.145 0.000 1.050 586 S CB 0.671 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 3.260 126.126 122.820 0.077 0.000 2.340 587 A HA 0.867 5.187 4.320 0.000 0.000 0.331 587 A C -0.742 177.119 177.584 0.463 0.000 1.140 587 A CA -0.725 51.392 52.037 0.134 0.000 0.801 587 A CB 0.669 19.471 19.000 -0.330 0.000 1.234 587 A HN 0.840 nan 8.150 nan 0.000 0.469 588 Y N -0.556 120.079 120.300 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 -1.431 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 0.007 109.165 108.800 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 0.491 45.878 45.100 0.478 0.000 0.896 589 G HN 2.020 nan 8.290 nan 0.000 0.496 590 G N 2.184 111.275 108.800 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 0.915 176.019 174.900 0.341 0.000 0.988 590 G CA 0.713 46.037 45.100 0.374 0.000 0.625 590 G HN 0.656 nan 8.290 nan 0.000 0.527 591 D N -0.283 120.343 120.400 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 0.547 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 -1.021 119.051 119.950 0.203 0.000 2.683 592 F HA 0.313 4.840 4.527 0.000 0.000 0.306 592 F C 1.771 177.654 175.800 0.140 0.000 1.102 592 F CA -0.174 57.907 58.000 0.135 0.000 1.244 592 F CB 0.722 39.797 39.000 0.125 0.000 1.029 592 F HN -0.058 nan 8.300 nan 0.000 0.545 593 G N 0.546 109.512 108.800 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 0.134 45.360 45.100 0.210 0.000 0.652 593 G HN 0.423 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 -0.091 176.336 176.300 0.211 0.000 1.162 594 D CA 0.695 54.871 54.000 0.293 0.000 0.879 594 D CB 1.060 42.093 40.800 0.389 0.000 1.163 594 D HN 0.086 nan 8.370 nan 0.000 0.472 595 T N 2.838 117.488 114.554 0.160 0.000 2.971 595 T HA 0.451 4.801 4.350 0.000 0.000 0.304 595 T C -2.369 172.374 174.700 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 0.502 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 -0.693 62.407 63.100 -0.001 0.000 0.811 596 P CB 0.847 32.519 31.700 -0.047 0.000 1.063 597 N N -0.548 118.147 118.700 -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 -0.023 0.000 0.789 597 N CB 1.638 40.205 38.487 0.133 0.000 1.514 597 N HN 0.231 nan 8.380 nan 0.000 0.499 598 D N -0.145 120.226 120.400 -0.047 0.000 2.593 598 D HA 0.124 4.764 4.640 0.000 0.000 0.241 598 D C 0.569 177.103 176.300 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 0.649 nan 8.370 nan 0.000 0.490 599 R N 0.347 121.053 120.500 0.344 0.000 3.772 599 R HA -0.374 3.966 4.340 0.000 0.000 0.480 599 R C 0.991 177.284 176.300 -0.011 0.000 0.241 599 R CA 1.495 57.765 56.100 0.284 0.000 1.508 599 R CB -1.401 28.992 30.300 0.155 0.000 0.956 599 R HN 0.012 nan 8.270 nan 0.000 0.583 600 Q N 0.639 120.124 119.800 -0.525 0.000 2.437 600 Q HA 0.095 4.435 4.340 0.000 0.000 0.210 600 Q C 1.831 177.536 176.000 -0.493 0.000 0.972 600 Q CA 1.749 57.079 55.803 -0.787 0.000 0.903 600 Q CB -0.250 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 0.505 120.342 119.950 -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 1.011 58.991 58.000 -0.034 0.000 1.398 601 F CB -0.458 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 -0.468 0.000 2.562 602 C HA 0.232 4.692 4.460 0.000 0.000 0.266 602 C C 0.992 175.788 174.990 -0.324 0.000 1.382 602 C CA -0.531 58.061 59.018 -0.709 0.000 1.742 602 C CB -1.620 25.157 27.740 -1.604 0.000 1.812 602 C HN 0.200 nan 8.230 nan 0.000 0.559 603 M N 2.950 122.401 119.600 -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 0.546 33.071 32.600 -0.125 0.000 1.376 603 M HN 0.179 nan 8.290 nan 0.000 0.397 604 N N 1.531 120.123 118.700 -0.181 0.000 2.307 604 N HA 0.195 4.935 4.740 0.000 0.000 0.248 604 N C 0.120 175.435 175.510 -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 0.820 175.287 174.900 -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 -0.312 120.491 121.223 -0.699 0.000 2.509 606 L HA 0.162 4.502 4.340 0.000 0.000 0.222 606 L C 0.683 176.956 176.870 -0.995 0.000 1.123 606 L CA 0.238 54.669 54.840 -0.682 0.000 0.856 606 L CB -0.103 41.702 42.059 -0.425 0.000 0.985 606 L HN 0.376 nan 8.230 nan 0.000 0.456 607 V N -5.065 114.146 119.914 -1.171 0.000 2.962 607 V HA 0.470 4.590 4.120 0.000 0.000 0.313 607 V C -0.371 175.234 176.094 -0.814 0.000 1.099 607 V CA -1.219 60.494 62.300 -0.979 0.000 0.971 607 V CB 1.680 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 0.511 58.470 58.000 -0.068 0.000 1.262 608 F CB 1.251 40.255 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 1.531 179.090 177.584 -0.041 0.000 1.167 609 A CA 2.148 54.213 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 2.328 610 D HA 0.202 4.842 4.640 0.000 0.000 0.226 610 D C 0.606 176.885 176.300 -0.034 0.000 1.066 610 D CA -0.019 53.949 54.000 -0.053 0.000 0.861 610 D CB -0.058 40.714 40.800 -0.047 0.000 0.912 610 D HN 0.208 nan 8.370 nan 0.000 0.521 611 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 -0.502 175.780 176.300 -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 -2.542 112.044 114.554 0.054 0.000 2.824 612 T HA 0.725 5.075 4.350 0.000 0.000 0.280 612 T C -2.571 172.255 174.700 0.210 0.000 0.995 612 T CA -2.464 59.710 62.100 0.124 0.000 1.009 612 T CB 2.537 71.475 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 -0.095 62.994 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 3.794 122.668 119.070 -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 -2.017 53.827 56.048 -0.341 0.000 1.343 614 H CB 0.705 30.229 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 1.123 64.212 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 -0.032 122.785 122.820 -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 -0.055 0.000 2.127 617 L HA -0.141 4.199 4.340 0.000 0.000 0.211 617 L C 2.352 179.253 176.870 0.053 0.000 1.089 617 L CA 2.655 57.490 54.840 -0.008 0.000 0.757 617 L CB -0.773 41.279 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 -0.118 68.829 68.868 0.132 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 -0.020 4.331 4.350 0.000 0.000 0.193 619 E C 2.267 178.872 176.600 0.007 0.000 0.989 619 E CA 1.257 57.697 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 1.944 58.199 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 0.468 119.345 119.070 -0.321 0.000 2.299 622 H HA -0.007 4.549 4.556 0.000 0.000 0.302 622 H C 1.969 177.012 175.328 -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 -0.617 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 4.221 4.340 0.000 0.000 0.204 623 Q C 1.632 177.097 176.000 -0.892 0.000 0.975 623 Q CA 1.342 56.784 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 0.885 120.137 119.800 -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 54.852 55.803 -1.140 0.000 0.946 624 Q CB 0.192 28.286 28.738 -1.074 0.000 1.062 624 Q HN 0.425 nan 8.270 nan 0.000 0.503 625 Q N -0.532 118.869 119.800 -0.665 0.000 2.428 625 Q HA -0.031 4.309 4.340 0.000 0.000 0.276 625 Q C -0.355 175.291 176.000 -0.590 0.000 1.059 625 Q CA 0.267 55.791 55.803 -0.465 0.000 0.923 625 Q CB 0.410 29.015 28.738 -0.222 0.000 1.283 625 Q HN 0.177 nan 8.270 nan 0.000 0.447 626 F N 0.371 120.073 119.950 -0.413 0.000 2.797 626 F HA 0.290 4.817 4.527 0.000 0.000 0.302 626 F C -0.238 175.002 175.800 -0.934 0.000 1.130 626 F CA -0.066 57.462 58.000 -0.787 0.000 1.387 626 F CB 0.374 38.558 39.000 -1.360 0.000 1.107 626 F HN 0.347 nan 8.300 nan 0.000 0.577 627 F N 0.180 120.057 119.950 -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 -0.525 0.000 1.103 627 F CA -1.045 56.790 58.000 -0.276 0.000 0.926 627 F CB 1.348 40.199 39.000 -0.248 0.000 1.154 627 F HN -0.319 nan 8.300 nan 0.000 0.453 628 Q N 3.048 122.598 119.800 -0.416 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 -0.575 0.000 1.077 628 Q CA -0.704 54.850 55.803 -0.415 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 0.391 176.418 175.800 0.379 0.000 1.076 629 F CA -0.840 57.352 58.000 0.321 0.000 0.928 629 F CB 2.123 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 1.731 122.536 120.500 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 1.341 122.501 121.223 -0.105 0.000 2.325 631 L HA 0.473 4.813 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 3.715 119.290 115.700 -0.207 0.000 2.774 632 S HA 0.688 5.158 4.470 0.000 0.000 0.297 632 S C 0.408 174.923 174.600 -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 0.390 175.188 174.900 -0.170 0.000 1.172 633 G CA 0.568 45.589 45.100 -0.132 0.000 0.966 633 G HN 0.623 nan 8.290 nan 0.000 0.542 634 Q N 1.127 120.832 119.800 -0.157 0.000 2.194 634 Q HA 0.214 4.554 4.340 0.000 0.000 0.214 634 Q C 0.059 175.937 176.000 -0.203 0.000 0.838 634 Q CA 0.639 56.330 55.803 -0.187 0.000 0.972 634 Q CB 1.060 29.708 28.738 -0.151 0.000 1.131 634 Q HN 0.554 nan 8.270 nan 0.000 0.498 635 T N 1.192 115.639 114.554 -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 70.212 68.868 -0.094 0.000 0.927 635 T HN 0.020 nan 8.240 nan 0.000 0.456 636 I N 2.606 123.099 120.570 -0.128 0.000 2.359 636 I HA 0.311 4.481 4.170 0.000 0.000 0.294 636 I C 0.479 176.627 176.117 0.051 0.000 0.987 636 I CA -0.611 60.646 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 6.579 126.839 120.200 0.101 0.000 2.133 637 E HA 0.434 4.784 4.350 0.000 0.000 0.274 637 E C -1.541 175.166 176.600 0.178 0.000 0.930 637 E CA -0.600 55.869 56.400 0.114 0.000 0.770 637 E CB 1.576 31.321 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 1.768 33.661 31.823 0.117 0.000 0.982 638 V HN 0.730 nan 8.190 nan 0.000 0.452 639 T N 3.144 117.678 114.554 -0.033 0.000 2.841 639 T HA 0.385 4.735 4.350 0.000 0.000 0.283 639 T C -0.231 174.477 174.700 0.014 0.000 1.000 639 T CA -0.321 61.778 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 1.609 117.329 115.700 0.032 0.000 2.508 640 S HA 0.281 4.751 4.470 0.000 0.000 0.284 640 S C 0.505 175.009 174.600 -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 63.890 63.200 0.075 0.000 1.004 640 S HN 0.710 nan 8.310 nan 0.000 0.493 641 E N 3.044 123.053 120.200 -0.319 0.000 2.496 641 E HA 0.118 4.468 4.350 0.000 0.000 0.200 641 E C -0.966 175.485 176.600 -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 29.893 29.700 -0.260 0.000 1.071 641 E HN 0.660 nan 8.360 nan 0.000 0.457 642 Y N 0.356 120.554 120.300 -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 0.988 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 1.735 122.809 121.223 -0.249 0.000 2.463 643 L HA 0.059 4.399 4.340 0.000 0.000 0.219 643 L C 0.602 176.999 176.870 -0.788 0.000 1.088 643 L CA 0.688 55.128 54.840 -0.666 0.000 0.849 643 L CB 0.050 41.334 42.059 -1.292 0.000 1.012 643 L HN 0.663 nan 8.230 nan 0.000 0.468 644 F N -0.387 119.582 119.950 0.031 0.000 2.699 644 F HA 0.199 4.726 4.527 0.000 0.000 0.295 644 F C 1.289 177.070 175.800 -0.031 0.000 1.052 644 F CA -0.801 57.188 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 0.090 120.624 120.500 0.056 0.000 2.573 645 R HA 0.464 4.804 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 55.404 56.100 -0.039 0.000 1.059 645 R CB 0.785 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 0.392 119.435 119.070 -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 2.461 118.016 115.700 -0.241 0.000 3.829 647 S HA -0.014 4.456 4.470 0.000 0.000 0.250 647 S C -0.085 174.607 174.600 0.154 0.000 1.263 647 S CA -0.237 57.996 58.200 0.055 0.000 0.955 647 S CB -0.661 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 0.717 121.218 120.400 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 0.170 118.927 118.700 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 0.054 0.000 1.415 649 N HN -0.024 nan 8.380 nan 0.000 0.513 650 E N 0.086 120.337 120.200 0.085 0.000 2.278 650 E HA 0.462 4.812 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 55.839 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 0.084 nan 8.360 nan 0.000 0.415 651 L N 3.129 124.390 121.223 0.064 0.000 2.362 651 L HA 0.554 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 53.985 54.840 0.116 0.000 0.820 651 L CB 1.633 43.787 42.059 0.159 0.000 1.270 651 L HN 0.594 nan 8.230 nan 0.000 0.415 652 L N 4.880 126.223 121.223 0.200 0.000 2.265 652 L HA 0.422 4.762 4.340 0.000 0.000 0.289 652 L C -0.598 176.500 176.870 0.380 0.000 1.033 652 L CA 0.140 55.128 54.840 0.247 0.000 0.814 652 L CB 0.388 42.585 42.059 0.231 0.000 1.203 652 L HN 0.547 nan 8.230 nan 0.000 0.423 653 H N 5.935 125.069 119.070 0.107 0.000 2.488 653 H HA 0.346 4.902 4.556 0.000 0.000 0.322 653 H C -1.084 174.326 175.328 0.136 0.000 1.078 653 H CA -0.713 55.359 56.048 0.041 0.000 1.260 653 H CB 0.926 30.679 29.762 -0.015 0.000 1.425 653 H HN 0.702 nan 8.280 nan 0.000 0.471 654 W N 3.665 125.031 121.300 0.109 0.000 2.850 654 W HA 0.593 5.253 4.660 0.000 0.000 0.349 654 W C -1.312 175.249 176.519 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 0.559 nan 8.180 nan 0.000 0.575 655 M N 1.467 121.420 119.600 0.588 0.000 2.389 655 M HA 0.519 4.999 4.480 0.000 0.000 0.291 655 M C -2.668 173.873 176.300 0.402 0.000 1.128 655 M CA -0.465 55.040 55.300 0.341 0.000 0.942 655 M CB 1.857 34.490 32.600 0.055 0.000 1.783 655 M HN 0.129 nan 8.290 nan 0.000 0.501 656 V N 3.160 123.294 119.914 0.367 0.000 2.459 656 V HA 1.024 5.144 4.120 0.000 0.000 0.295 656 V C -0.175 176.039 176.094 0.199 0.000 1.029 656 V CA 0.006 62.483 62.300 0.295 0.000 0.874 656 V CB 1.231 33.227 31.823 0.290 0.000 0.985 656 V HN 1.084 nan 8.190 nan 0.000 0.438 657 A N 4.486 127.434 122.820 0.212 0.000 2.515 657 A HA 0.879 5.199 4.320 0.000 0.000 0.298 657 A C -1.525 176.191 177.584 0.220 0.000 1.059 657 A CA -0.593 51.540 52.037 0.159 0.000 0.698 657 A CB 1.768 20.822 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 -0.632 176.342 176.870 0.174 0.000 1.018 658 L CA 0.263 55.211 54.840 0.180 0.000 0.841 658 L CB 0.418 42.546 42.059 0.116 0.000 1.218 658 L HN 0.760 nan 8.230 nan 0.000 0.424 659 D N 4.473 125.045 120.400 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 1.624 55.771 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 0.378 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 1.983 122.359 120.400 -0.040 0.000 2.211 661 K HA 0.588 4.908 4.320 0.000 0.000 0.275 661 K C -2.684 173.916 176.600 0.000 0.000 1.024 661 K CA -2.023 54.246 56.287 -0.030 0.000 0.887 661 K CB 1.922 34.416 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 -0.258 177.050 177.300 0.013 0.000 1.252 662 P CA -0.215 62.882 63.100 -0.005 0.000 0.778 662 P CB 0.826 32.500 31.700 -0.043 0.000 0.895 663 L N 1.346 122.597 121.223 0.047 0.000 2.685 663 L HA 0.536 4.876 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 0.345 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 -0.284 115.130 115.700 -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 -1.438 0.000 1.117 665 S CA -0.317 57.320 58.200 -0.938 0.000 0.873 665 S CB 2.015 64.919 63.200 -0.492 0.000 1.108 665 S HN 2.156 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 -2.223 172.160 174.900 -0.862 0.000 1.437 666 G CA -0.653 43.667 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 -1.345 175.305 176.600 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 32.622 29.700 -0.242 0.000 1.201 667 E HN 0.348 nan 8.360 nan 0.000 0.425 668 V N 3.810 123.822 119.914 0.164 0.000 2.808 668 V HA 0.464 4.584 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 2.214 34.153 31.823 0.193 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 -0.884 176.469 177.300 0.087 0.000 1.276 669 P CA -0.376 62.782 63.100 0.097 0.000 0.808 669 P CB 1.131 32.882 31.700 0.086 0.000 0.966 670 L N 2.737 123.997 121.223 0.062 0.000 2.371 670 L HA 0.301 4.641 4.340 0.000 0.000 0.272 670 L C 0.438 177.347 176.870 0.065 0.000 1.124 670 L CA 0.370 55.229 54.840 0.032 0.000 0.816 670 L CB 0.399 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 2.273 122.712 120.400 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 -0.013 0.000 1.233 671 D CA -0.089 53.985 54.000 0.123 0.000 0.849 671 D CB 0.903 41.821 40.800 0.197 0.000 1.261 671 D HN 0.085 nan 8.370 nan 0.000 0.516 672 V N 0.563 120.324 119.914 -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 -0.448 0.000 1.035 672 V CA -1.362 60.829 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 5.650 128.379 122.820 -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 -1.624 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 -0.486 176.813 177.300 -0.002 0.000 1.183 674 P CA 0.663 63.778 63.100 0.026 0.000 0.761 674 P CB 0.363 32.061 31.700 -0.002 0.000 0.785 675 Q N -0.760 119.028 119.800 -0.020 0.000 2.416 675 Q HA -0.161 4.179 4.340 0.000 0.000 0.235 675 Q C 0.689 176.686 176.000 -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 26.495 28.738 -0.051 0.000 1.556 675 Q HN 0.761 nan 8.270 nan 0.000 0.650 676 G N 0.268 109.077 108.800 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 44.491 45.100 0.027 0.000 1.045 676 G HN -0.036 nan 8.290 nan 0.000 0.517 677 K N -0.542 119.882 120.400 0.040 0.000 2.328 677 K HA 0.499 4.819 4.320 0.000 0.000 0.246 677 K C -0.913 175.720 176.600 0.054 0.000 0.955 677 K CA -0.566 55.748 56.287 0.045 0.000 0.817 677 K CB 2.409 34.931 32.500 0.036 0.000 1.208 677 K HN 0.511 nan 8.250 nan 0.000 0.432 678 Q N 3.115 122.953 119.800 0.063 0.000 2.289 678 Q HA 0.359 4.699 4.340 0.000 0.000 0.270 678 Q C -1.665 174.375 176.000 0.067 0.000 1.038 678 Q CA -0.629 55.213 55.803 0.066 0.000 0.812 678 Q CB 1.357 30.138 28.738 0.072 0.000 1.300 678 Q HN 0.534 nan 8.270 nan 0.000 0.427 679 L N 5.218 126.472 121.223 0.052 0.000 2.282 679 L HA 0.546 4.886 4.340 0.000 0.000 0.288 679 L C -0.438 176.452 176.870 0.034 0.000 1.033 679 L CA -0.648 54.215 54.840 0.039 0.000 0.807 679 L CB 1.239 43.310 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 6.793 126.965 120.200 -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 30.970 29.700 -0.041 0.000 1.056 681 E HN 0.474 nan 8.360 nan 0.000 0.407 682 L N 6.130 127.237 121.223 -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 52.839 54.840 -0.296 0.000 0.810 682 L CB 1.025 42.813 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 -0.296 62.773 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 0.817 120.998 120.200 -0.033 0.000 2.480 684 E HA 0.039 4.389 4.350 0.000 0.000 0.258 684 E C -0.251 176.339 176.600 -0.017 0.000 0.984 684 E CA 0.014 56.394 56.400 -0.034 0.000 0.930 684 E CB 0.143 29.832 29.700 -0.019 0.000 0.936 684 E HN 0.325 nan 8.360 nan 0.000 0.466 685 L N 6.451 127.650 121.223 -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 0.528 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 2.219 122.031 119.800 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 0.413 29.152 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 0.149 63.265 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 -0.122 120.091 120.200 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 0.380 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 0.181 4.651 4.470 0.000 0.000 0.285 690 S C 0.409 175.031 174.600 0.038 0.000 1.326 690 S CA 0.016 58.236 58.200 0.033 0.000 1.037 690 S CB 0.664 63.886 63.200 0.035 0.000 0.838 690 S HN 0.275 nan 8.310 nan 0.000 0.519 691 A N 1.574 124.419 122.820 0.042 0.000 2.322 691 A HA 0.792 5.112 4.320 0.000 0.000 0.269 691 A C 0.889 178.510 177.584 0.062 0.000 1.094 691 A CA 0.210 52.275 52.037 0.047 0.000 0.807 691 A CB -0.052 18.976 19.000 0.048 0.000 1.047 691 A HN 1.881 nan 8.150 nan 0.000 0.487 692 G N -0.139 108.700 108.800 0.065 0.000 2.346 692 G HA2 0.304 4.264 3.960 0.000 0.000 0.294 692 G HA3 0.304 4.264 3.960 0.000 0.000 0.294 692 G C -1.284 173.664 174.900 0.079 0.000 1.294 692 G CA -0.855 44.302 45.100 0.095 0.000 0.962 692 G HN 0.859 nan 8.290 nan 0.000 0.508 693 Q N -0.631 119.249 119.800 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 -0.762 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 3.519 124.724 121.223 -0.030 0.000 2.275 694 L HA 0.499 4.839 4.340 0.000 0.000 0.288 694 L C -1.786 175.047 176.870 -0.061 0.000 1.046 694 L CA 0.059 54.932 54.840 0.055 0.000 0.805 694 L CB 0.496 42.559 42.059 0.006 0.000 1.193 694 L HN 0.569 nan 8.230 nan 0.000 0.426 695 W N 5.447 126.814 121.300 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 1.725 31.298 29.460 0.188 0.000 1.416 695 W HN 0.292 nan 8.180 nan 0.000 0.503 696 L N 2.985 124.505 121.223 0.496 0.000 2.307 696 L HA 0.792 5.132 4.340 0.000 0.000 0.284 696 L C -0.371 176.804 176.870 0.507 0.000 1.023 696 L CA 0.175 55.281 54.840 0.443 0.000 0.810 696 L CB 1.355 43.621 42.059 0.345 0.000 1.231 696 L HN 0.340 nan 8.230 nan 0.000 0.423 697 T N 4.960 119.754 114.554 0.401 0.000 2.848 697 T HA 0.663 5.013 4.350 0.000 0.000 0.285 697 T C -0.831 174.045 174.700 0.294 0.000 0.995 697 T CA -0.430 61.852 62.100 0.303 0.000 0.970 697 T CB 1.578 70.562 68.868 0.194 0.000 0.976 697 T HN 0.601 nan 8.240 nan 0.000 0.441 698 V N 1.684 121.723 119.914 0.209 0.000 2.715 698 V HA 0.855 4.975 4.120 0.000 0.000 0.310 698 V C -0.632 175.519 176.094 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 2.101 122.683 120.500 0.137 0.000 2.673 699 R HA 0.802 5.142 4.340 0.000 0.000 0.281 699 R C -1.630 174.749 176.300 0.131 0.000 0.991 699 R CA -0.666 55.522 56.100 0.147 0.000 0.896 699 R CB 2.685 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 3.724 123.747 119.914 0.181 0.000 2.398 700 V HA 0.443 4.563 4.120 0.000 0.000 0.286 700 V C -0.425 175.712 176.094 0.073 0.000 1.026 700 V CA -0.619 61.761 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 4.736 124.642 119.914 -0.013 0.000 2.628 701 V HA 0.444 4.564 4.120 0.000 0.000 0.306 701 V C -0.327 175.790 176.094 0.040 0.000 1.045 701 V CA -0.815 61.460 62.300 -0.042 0.000 0.905 701 V CB 1.981 33.670 31.823 -0.224 0.000 0.997 701 V HN 0.872 nan 8.190 nan 0.000 0.436 702 Q N 4.524 124.373 119.800 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 54.072 55.803 0.091 0.000 0.891 702 Q CB 1.875 30.689 28.738 0.126 0.000 1.222 702 Q HN 0.488 nan 8.270 nan 0.000 0.483 703 P HA -0.198 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 1.351 64.468 63.100 0.029 0.000 0.868 703 P CB 0.319 32.043 31.700 0.041 0.000 0.788 704 N N -0.875 117.823 118.700 -0.003 0.000 2.456 704 N HA 0.459 5.199 4.740 0.000 0.000 0.296 704 N C -0.359 175.106 175.510 -0.074 0.000 1.102 704 N CA -0.708 52.325 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 0.489 123.257 122.820 -0.088 0.000 2.346 705 A HA 0.545 4.865 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 0.017 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 -3.515 110.833 114.554 -0.343 0.000 2.742 706 T HA 0.627 4.977 4.350 0.000 0.000 0.282 706 T C 0.853 175.361 174.700 -0.320 0.000 1.025 706 T CA 0.072 61.937 62.100 -0.391 0.000 1.020 706 T CB 1.077 69.449 68.868 -0.826 0.000 1.317 706 T HN 1.352 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 1.573 179.262 177.584 0.175 0.000 1.153 707 A CA 0.787 52.857 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 -0.761 120.590 121.300 0.085 0.000 2.714 708 W HA 0.412 5.072 4.660 0.000 0.000 0.353 708 W C -0.132 176.351 176.519 -0.060 0.000 0.999 708 W CA 0.459 57.818 57.345 0.023 0.000 1.629 708 W CB -1.002 28.466 29.460 0.014 0.000 1.106 708 W HN 0.395 nan 8.180 nan 0.000 0.545 709 S N 0.430 115.732 115.700 -0.663 0.000 2.556 709 S HA 0.443 4.913 4.470 0.000 0.000 0.271 709 S C -0.514 173.855 174.600 -0.385 0.000 1.135 709 S CA -0.704 57.118 58.200 -0.631 0.000 0.858 709 S CB 2.766 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 0.253 176.814 176.600 -0.065 0.000 1.155 710 E CA -0.885 55.459 56.400 -0.093 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 -0.201 122.597 122.820 -0.037 0.000 2.407 711 A HA 0.451 4.771 4.320 0.000 0.000 0.248 711 A C 1.035 178.629 177.584 0.017 0.000 1.082 711 A CA 0.537 52.564 52.037 -0.017 0.000 0.785 711 A CB -0.235 18.756 19.000 -0.015 0.000 1.020 711 A HN 0.779 nan 8.150 nan 0.000 0.489 712 G N 0.335 109.150 108.800 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 0.140 175.069 174.900 0.047 0.000 0.989 712 G CA 0.683 45.795 45.100 0.019 0.000 0.682 712 G HN 1.611 nan 8.290 nan 0.000 0.522 713 H N 0.449 119.511 119.070 -0.014 0.000 2.764 713 H HA 0.495 5.051 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 -0.433 55.633 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 -0.449 0.000 2.325 714 I HA 0.012 4.182 4.170 0.000 0.000 0.291 714 I C 1.060 177.060 176.117 -0.196 0.000 1.019 714 I CA 0.153 61.326 61.300 -0.212 0.000 1.302 714 I CB 0.851 38.765 38.000 -0.143 0.000 1.401 714 I HN 0.839 nan 8.210 nan 0.000 0.485 715 S N 4.050 119.848 115.700 0.163 0.000 2.526 715 S HA 0.625 5.095 4.470 0.000 0.000 0.220 715 S C 0.498 175.366 174.600 0.446 0.000 1.017 715 S CA 0.060 58.483 58.200 0.372 0.000 0.930 715 S CB 0.721 64.249 63.200 0.546 0.000 0.856 715 S HN 0.721 nan 8.310 nan 0.000 0.497 716 A N 0.553 123.673 122.820 0.500 0.000 2.608 716 A HA 0.698 5.018 4.320 0.000 0.000 0.292 716 A C -1.788 176.176 177.584 0.633 0.000 1.066 716 A CA -0.915 51.408 52.037 0.475 0.000 0.676 716 A CB 0.441 19.764 19.000 0.539 0.000 1.277 716 A HN 0.915 nan 8.150 nan 0.000 0.413 717 W N -0.450 121.012 121.300 0.271 0.000 2.959 717 W HA 0.813 5.473 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 -0.635 56.752 57.345 0.069 0.000 1.183 717 W CB 1.167 30.611 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 -1.761 174.012 176.000 -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 -0.477 0.000 2.416 719 Q HA 0.726 5.066 4.340 0.000 0.000 0.281 719 Q C -1.460 174.396 176.000 -0.239 0.000 1.067 719 Q CA -0.591 55.100 55.803 -0.186 0.000 0.809 719 Q CB 1.742 30.563 28.738 0.138 0.000 1.418 719 Q HN 0.629 nan 8.270 nan 0.000 0.411 720 W N 2.007 123.499 121.300 0.320 0.000 3.032 720 W HA 0.463 5.123 4.660 0.000 0.000 0.335 720 W C -0.533 175.988 176.519 0.004 0.000 1.154 720 W CA -0.854 56.596 57.345 0.177 0.000 1.204 720 W CB 2.082 31.583 29.460 0.069 0.000 1.416 720 W HN 0.683 nan 8.180 nan 0.000 0.521 721 R N 2.263 122.646 120.500 -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 2.964 124.016 121.223 -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 -0.080 0.000 0.942 722 L HN 0.704 nan 8.230 nan 0.000 0.452 723 A N -0.467 122.238 122.820 -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 0.539 120.684 120.200 -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 1.227 30.883 29.700 -0.075 0.000 1.227 724 E HN 0.596 nan 8.360 nan 0.000 0.413 725 N N 5.093 123.790 118.700 -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 52.694 53.050 0.008 0.000 0.938 725 N CB 1.332 39.828 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 0.186 55.042 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 1.721 117.445 115.700 0.041 0.000 2.439 727 S HA 0.255 4.725 4.470 0.000 0.000 0.282 727 S C 0.343 174.965 174.600 0.037 0.000 1.170 727 S CA -0.900 57.325 58.200 0.041 0.000 1.054 727 S CB 0.609 63.839 63.200 0.050 0.000 0.956 727 S HN 0.421 nan 8.310 nan 0.000 0.490 728 V N 3.076 123.008 119.914 0.031 0.000 3.063 728 V HA 0.381 4.501 4.120 0.000 0.000 0.379 728 V C 0.531 176.641 176.094 0.028 0.000 1.310 728 V CA -0.291 62.026 62.300 0.028 0.000 1.333 728 V CB -1.043 30.794 31.823 0.023 0.000 1.331 728 V HN 0.821 nan 8.190 nan 0.000 0.527 729 T N -0.428 114.145 114.554 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 0.518 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 -0.501 176.805 177.300 0.010 0.000 1.216 731 P CA -0.406 62.705 63.100 0.017 0.000 0.776 731 P CB 1.093 32.803 31.700 0.018 0.000 0.881 732 A N 2.502 125.324 122.820 0.003 0.000 2.313 732 A HA 0.563 4.883 4.320 0.000 0.000 0.261 732 A C 0.565 178.134 177.584 -0.025 0.000 1.090 732 A CA -0.173 51.864 52.037 -0.001 0.000 0.807 732 A CB -0.265 18.740 19.000 0.007 0.000 1.055 732 A HN 0.745 nan 8.150 nan 0.000 0.492 733 A N 0.825 123.636 122.820 -0.015 0.000 2.547 733 A HA 0.467 4.787 4.320 0.000 0.000 0.233 733 A C 0.838 178.322 177.584 -0.165 0.000 1.067 733 A CA 0.578 52.596 52.037 -0.031 0.000 0.763 733 A CB -0.522 18.503 19.000 0.042 0.000 1.007 733 A HN 1.672 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 0.572 5.042 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 -0.102 118.981 119.070 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 0.065 29.834 29.762 0.013 0.000 1.471 735 H HN 0.802 nan 8.280 nan 0.000 0.538 736 A N 0.790 123.662 122.820 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 1.329 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 -1.977 118.620 120.570 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 -2.755 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 -1.404 175.990 177.300 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 1.458 120.560 119.070 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 -0.207 0.000 2.421 740 L HA 0.370 4.710 4.340 0.000 0.000 0.263 740 L C -0.599 176.080 176.870 -0.318 0.000 1.122 740 L CA 0.278 54.982 54.840 -0.228 0.000 0.804 740 L CB 1.655 43.644 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 -0.943 173.813 174.700 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 2.887 117.516 114.554 0.125 0.000 2.799 742 T HA 0.653 5.003 4.350 0.000 0.000 0.286 742 T C 0.292 175.051 174.700 0.098 0.000 0.973 742 T CA -0.392 61.835 62.100 0.211 0.000 1.035 742 T CB 1.411 70.422 68.868 0.239 0.000 0.932 742 T HN 0.569 nan 8.240 nan 0.000 0.469 743 S N 1.782 117.515 115.700 0.056 0.000 2.837 743 S HA 0.431 4.901 4.470 0.000 0.000 0.314 743 S C 0.915 175.492 174.600 -0.038 0.000 1.098 743 S CA -0.615 57.589 58.200 0.005 0.000 0.903 743 S CB 1.578 64.778 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 1.533 178.064 176.600 -0.116 0.000 0.973 744 E CA 0.372 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 0.530 nan 8.360 nan 0.000 0.477 745 M N 1.009 120.550 119.600 -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 56.049 55.300 -0.092 0.000 1.127 745 M CB -0.523 32.054 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 -0.171 0.000 2.692 746 D HA 0.473 5.113 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 4.458 124.791 120.200 0.222 0.000 2.317 750 E HA 0.811 5.161 4.350 0.000 0.000 0.270 750 E C -1.876 174.893 176.600 0.280 0.000 0.885 750 E CA -0.728 55.814 56.400 0.238 0.000 0.760 750 E CB 3.259 33.028 29.700 0.114 0.000 1.227 750 E HN 0.531 nan 8.360 nan 0.000 0.434 751 L N 4.466 125.851 121.223 0.269 0.000 2.673 751 L HA 0.513 4.853 4.340 0.000 0.000 0.255 751 L C -0.103 176.848 176.870 0.135 0.000 1.015 751 L CA 0.741 55.720 54.840 0.231 0.000 0.930 751 L CB 0.793 43.039 42.059 0.311 0.000 1.185 751 L HN 0.802 nan 8.230 nan 0.000 0.457 752 G N 3.521 112.369 108.800 0.080 0.000 2.509 752 G HA2 -0.367 3.593 3.960 0.000 0.000 0.256 752 G HA3 -0.367 3.593 3.960 0.000 0.000 0.256 752 G C 0.554 175.451 174.900 -0.004 0.000 1.152 752 G CA 0.403 45.523 45.100 0.035 0.000 0.951 752 G HN 0.874 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 1.409 54.422 53.050 -0.062 0.000 0.881 753 N CB -0.205 38.247 38.487 -0.058 0.000 0.972 753 N HN 0.774 nan 8.380 nan 0.000 0.435 754 K N 0.598 120.908 120.400 -0.151 0.000 2.350 754 K HA 0.270 4.590 4.320 0.000 0.000 0.279 754 K C -0.113 176.265 176.600 -0.371 0.000 1.027 754 K CA 0.000 56.065 56.287 -0.370 0.000 0.969 754 K CB 1.036 33.238 32.500 -0.498 0.000 0.954 754 K HN 0.066 nan 8.250 nan 0.000 0.474 755 R N 1.858 122.064 120.500 -0.491 0.000 2.698 755 R HA 0.401 4.741 4.340 0.000 0.000 0.275 755 R C -1.557 174.649 176.300 -0.156 0.000 1.001 755 R CA -0.667 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 2.838 124.249 121.300 0.184 0.000 2.883 756 W HA 0.328 4.988 4.660 0.000 0.000 0.335 756 W C -0.754 175.853 176.519 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 2.597 122.542 119.800 0.242 0.000 2.340 757 Q HA 0.488 4.828 4.340 0.000 0.000 0.268 757 Q C -1.995 173.948 176.000 -0.094 0.000 1.031 757 Q CA -0.516 55.414 55.803 0.212 0.000 0.804 757 Q CB 1.845 30.777 28.738 0.323 0.000 1.286 757 Q HN 0.368 nan 8.270 nan 0.000 0.448 758 F N 2.763 122.802 119.950 0.148 0.000 2.426 758 F HA 0.318 4.845 4.527 0.000 0.000 0.348 758 F C 0.609 176.424 175.800 0.025 0.000 1.124 758 F CA -0.789 57.264 58.000 0.089 0.000 1.008 758 F CB 1.375 40.454 39.000 0.132 0.000 1.139 758 F HN 0.510 nan 8.300 nan 0.000 0.452 759 N N 3.474 122.262 118.700 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 53.110 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 2.001 122.415 120.500 -0.144 0.000 2.276 760 R HA -0.029 4.311 4.340 0.000 0.000 0.203 760 R C 1.223 177.443 176.300 -0.133 0.000 1.017 760 R CA 0.980 56.934 56.100 -0.243 0.000 1.010 760 R CB 0.311 30.354 30.300 -0.428 0.000 0.900 760 R HN 0.701 nan 8.270 nan 0.000 0.469 761 Q N -0.824 118.933 119.800 -0.071 0.000 2.373 761 Q HA 0.034 4.374 4.340 0.000 0.000 0.210 761 Q C 1.832 177.816 176.000 -0.026 0.000 0.913 761 Q CA 1.151 56.926 55.803 -0.046 0.000 0.911 761 Q CB 0.480 29.205 28.738 -0.022 0.000 1.040 761 Q HN 0.214 nan 8.270 nan 0.000 0.521 762 S N -0.296 115.408 115.700 0.007 0.000 2.470 762 S HA 0.214 4.684 4.470 0.000 0.000 0.222 762 S C 1.595 176.101 174.600 -0.157 0.000 1.024 762 S CA 0.543 58.764 58.200 0.035 0.000 0.931 762 S CB 0.315 63.647 63.200 0.220 0.000 0.791 762 S HN 0.490 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 -1.320 118.816 119.950 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 1.802 123.085 121.223 0.099 0.000 2.530 765 L HA 0.183 4.523 4.340 0.000 0.000 0.273 765 L C 0.600 177.367 176.870 -0.172 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 4.612 4.470 0.000 0.000 0.222 766 S C 0.274 174.770 174.600 -0.172 0.000 1.024 766 S CA 0.321 58.470 58.200 -0.084 0.000 0.931 766 S CB 0.006 63.195 63.200 -0.019 0.000 0.791 766 S HN 0.757 nan 8.310 nan 0.000 0.513 767 Q N -0.124 119.522 119.800 -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 -0.528 0.000 0.923 767 Q CA -0.558 54.972 55.803 -0.456 0.000 0.787 767 Q CB 1.252 29.614 28.738 -0.627 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 0.746 5.226 4.480 0.000 0.000 0.287 768 M C -2.008 173.880 176.300 -0.687 0.000 1.186 768 M CA -0.274 54.670 55.300 -0.593 0.000 0.927 768 M CB 1.836 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 3.942 125.020 121.300 -0.371 0.000 2.761 769 W HA 0.674 5.334 4.660 0.000 0.000 0.340 769 W C -1.398 174.916 176.519 -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 0.577 nan 8.180 nan 0.000 0.519 770 I N 2.767 123.341 120.570 0.007 0.000 2.448 770 I HA 0.401 4.571 4.170 0.000 0.000 0.281 770 I C 0.728 176.838 176.117 -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 39.009 38.000 -0.121 0.000 1.236 770 I HN 0.728 nan 8.210 nan 0.000 0.452 771 G N 5.839 114.628 108.800 -0.019 0.000 2.523 771 G HA2 -0.287 3.673 3.960 0.000 0.000 0.271 771 G HA3 -0.287 3.673 3.960 0.000 0.000 0.271 771 G C 0.247 175.167 174.900 0.034 0.000 1.146 771 G CA 0.456 45.548 45.100 -0.012 0.000 0.961 771 G HN 0.715 nan 8.290 nan 0.000 0.549 772 D N 0.776 121.213 120.400 0.063 0.000 2.431 772 D HA 0.234 4.874 4.640 0.000 0.000 0.213 772 D C 0.620 177.060 176.300 0.232 0.000 1.130 772 D CA 0.131 54.202 54.000 0.119 0.000 0.834 772 D CB 0.316 41.138 40.800 0.036 0.000 0.985 772 D HN 0.504 nan 8.370 nan 0.000 0.504 773 K N 1.160 121.657 120.400 0.162 0.000 2.248 773 K HA 0.273 4.593 4.320 0.000 0.000 0.281 773 K C -0.027 176.543 176.600 -0.049 0.000 1.054 773 K CA -0.445 55.877 56.287 0.057 0.000 0.903 773 K CB 1.625 34.120 32.500 -0.008 0.000 1.077 773 K HN -0.118 nan 8.250 nan 0.000 0.474 774 K N 2.199 122.488 120.400 -0.185 0.000 2.326 774 K HA 0.029 4.349 4.320 0.000 0.000 0.275 774 K C 0.752 177.161 176.600 -0.318 0.000 1.018 774 K CA -0.193 55.791 56.287 -0.506 0.000 0.962 774 K CB 0.803 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 1.367 120.950 119.800 -0.362 0.000 2.350 775 Q HA 0.193 4.533 4.340 0.000 0.000 0.225 775 Q C 0.044 175.960 176.000 -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 29.232 28.738 -0.046 0.000 1.099 775 Q HN 0.492 nan 8.270 nan 0.000 0.527 776 L N 0.547 121.627 121.223 -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 1.712 43.664 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 0.326 177.083 176.870 -0.188 0.000 1.096 777 L CA 0.575 55.293 54.840 -0.204 0.000 0.857 777 L CB 0.261 42.186 42.059 -0.223 0.000 1.026 777 L HN 0.595 nan 8.230 nan 0.000 0.469 778 T N -0.001 114.427 114.554 -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 2.710 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 0.291 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 3.332 124.548 121.223 -0.011 0.000 2.313 780 L HA 0.306 4.646 4.340 0.000 0.000 0.282 780 L C 0.438 177.217 176.870 -0.152 0.000 1.092 780 L CA 0.497 55.346 54.840 0.016 0.000 0.831 780 L CB -0.520 41.661 42.059 0.203 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 -1.193 174.957 176.300 -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 0.415 nan 8.270 nan 0.000 0.466 782 D N 1.054 121.341 120.400 -0.190 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 0.465 54.217 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 1.240 120.459 119.800 -0.968 0.000 2.305 783 Q HA 0.369 4.709 4.340 0.000 0.000 0.271 783 Q C -1.193 174.062 176.000 -1.242 0.000 1.046 783 Q CA -0.599 54.687 55.803 -0.861 0.000 0.798 783 Q CB 0.881 29.331 28.738 -0.480 0.000 1.286 783 Q HN 0.559 nan 8.270 nan 0.000 0.435 784 F N 0.635 120.223 119.950 -0.603 0.000 2.729 784 F HA 0.201 4.728 4.527 0.000 0.000 0.315 784 F C 0.577 175.973 175.800 -0.672 0.000 1.102 784 F CA -0.216 57.334 58.000 -0.750 0.000 1.204 784 F CB 1.554 39.858 39.000 -1.160 0.000 1.052 784 F HN 0.455 nan 8.300 nan 0.000 0.551 785 T N -0.885 113.392 114.554 -0.461 0.000 2.907 785 T HA 0.760 5.110 4.350 0.000 0.000 0.290 785 T C -0.599 173.862 174.700 -0.399 0.000 1.066 785 T CA -0.975 60.774 62.100 -0.584 0.000 1.012 785 T CB 2.725 71.196 68.868 -0.661 0.000 1.184 785 T HN 0.237 nan 8.240 nan 0.000 0.522 786 R N -0.188 120.115 120.500 -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 50.707 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 -0.269 177.129 177.300 0.164 0.000 1.175 788 P CA 0.556 63.806 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 2.204 123.497 121.223 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 -0.627 54.221 54.840 0.014 0.000 0.804 789 L CB 0.028 42.028 42.059 -0.099 0.000 1.181 789 L HN 0.275 nan 8.230 nan 0.000 0.469 790 D N 0.328 120.682 120.400 -0.076 0.000 2.123 790 D HA -0.162 4.478 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 1.008 119.654 118.700 -0.089 0.000 2.309 791 N HA -0.107 4.633 4.740 0.000 0.000 0.182 791 N C 1.093 176.619 175.510 0.026 0.000 1.018 791 N CA 0.677 53.705 53.050 -0.038 0.000 0.876 791 N CB -0.151 38.300 38.487 -0.060 0.000 0.972 791 N HN 0.242 nan 8.380 nan 0.000 0.434 792 D N 0.141 120.567 120.400 0.044 0.000 2.277 792 D HA 0.061 4.701 4.640 0.000 0.000 0.208 792 D C 1.876 178.230 176.300 0.089 0.000 0.962 792 D CA 0.351 54.412 54.000 0.102 0.000 0.865 792 D CB 0.274 41.191 40.800 0.196 0.000 0.939 792 D HN 0.340 nan 8.370 nan 0.000 0.510 793 I N -0.223 120.385 120.570 0.062 0.000 2.628 793 I HA 0.097 4.267 4.170 0.000 0.000 0.255 793 I C 1.853 178.003 176.117 0.055 0.000 1.119 793 I CA 0.540 61.869 61.300 0.048 0.000 1.448 793 I CB -0.141 37.866 38.000 0.012 0.000 1.133 793 I HN 0.049 nan 8.210 nan 0.000 0.438 794 G N 1.629 110.477 108.800 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 0.948 46.158 45.100 0.184 0.000 0.986 794 G HN 0.573 nan 8.290 nan 0.000 0.548 795 V N -2.178 117.847 119.914 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 0.099 0.000 1.156 795 V CB 0.340 32.122 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 -0.086 174.528 174.600 0.024 0.000 1.265 796 S CA 0.064 58.273 58.200 0.016 0.000 1.071 796 S CB 0.359 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 0.737 177.349 176.600 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 2.056 179.652 177.584 0.020 0.000 1.169 798 A CA 2.331 54.385 52.037 0.029 0.000 0.635 798 A CB -0.925 18.098 19.000 0.038 0.000 0.810 798 A HN 0.700 nan 8.150 nan 0.000 0.446 799 T N -2.566 111.998 114.554 0.017 0.000 2.851 799 T HA -0.007 4.343 4.350 0.000 0.000 0.262 799 T C 1.147 175.847 174.700 -0.001 0.000 1.043 799 T CA 0.922 63.028 62.100 0.010 0.000 1.140 799 T CB -0.103 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 1.134 121.630 120.500 -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 -0.512 55.577 56.100 -0.018 0.000 1.283 800 R CB 0.173 30.454 30.300 -0.032 0.000 1.111 800 R HN 0.439 nan 8.270 nan 0.000 0.578 801 I N 2.233 122.795 120.570 -0.013 0.000 2.648 801 I HA -0.067 4.103 4.170 0.000 0.000 0.284 801 I C 0.196 176.298 176.117 -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 9.405 129.788 120.400 -0.029 0.000 2.472 802 D HA 0.262 4.902 4.640 0.000 0.000 0.234 802 D C -1.677 174.583 176.300 -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 42.130 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 0.375 32.028 31.700 -0.080 0.000 0.772 804 N N -0.459 118.143 118.700 -0.164 0.000 2.373 804 N HA 0.081 4.821 4.740 0.000 0.000 0.181 804 N C 0.803 176.113 175.510 -0.333 0.000 1.082 804 N CA 0.073 52.974 53.050 -0.249 0.000 0.885 804 N CB 0.023 38.389 38.487 -0.201 0.000 0.977 804 N HN 0.083 nan 8.380 nan 0.000 0.462 805 A N 0.352 123.038 122.820 -0.223 0.000 2.498 805 A HA 0.029 4.349 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 51.589 52.037 -0.202 0.000 0.766 805 A CB 0.004 18.958 19.000 -0.077 0.000 1.003 805 A HN 0.319 nan 8.150 nan 0.000 0.497 806 W N 1.868 122.920 121.300 -0.414 0.000 2.302 806 W HA -0.219 4.441 4.660 0.000 0.000 0.320 806 W C 2.249 178.189 176.519 -0.965 0.000 1.241 806 W CA 1.944 58.776 57.345 -0.854 0.000 1.264 806 W CB -0.422 28.419 29.460 -1.030 0.000 1.154 806 W HN 0.558 nan 8.180 nan 0.000 0.483 807 V N 0.773 120.557 119.914 -0.216 0.000 2.392 807 V HA -0.285 3.835 4.120 0.000 0.000 0.249 807 V C 2.211 178.380 176.094 0.126 0.000 1.059 807 V CA 2.177 64.568 62.300 0.152 0.000 1.051 807 V CB -0.410 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 0.033 120.220 120.200 -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 1.151 57.539 56.400 -0.019 0.000 0.806 808 E CB -0.349 29.317 29.700 -0.057 0.000 0.750 808 E HN 0.625 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 2.227 178.481 176.300 -0.077 0.000 1.110 809 R CA 0.843 56.822 56.100 -0.202 0.000 0.973 809 R CB -0.214 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 -0.602 28.841 29.460 -0.028 0.000 1.133 810 W HN 0.083 nan 8.180 nan 0.000 0.521 811 K N 0.155 120.802 120.400 0.412 0.000 2.009 811 K HA -0.140 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 1.906 58.393 56.287 0.334 0.000 0.929 811 K CB -0.587 32.043 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 -0.077 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 1.741 53.813 52.037 0.058 0.000 0.656 812 A CB -0.409 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 -1.936 120.890 122.820 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 53.226 52.037 0.031 0.000 0.804 813 A CB -0.733 18.259 19.000 -0.012 0.000 0.834 813 A HN 1.840 nan 8.150 nan 0.000 0.482 814 G N -1.409 107.285 108.800 -0.176 0.000 2.132 814 G HA2 -0.287 3.673 3.960 0.000 0.000 0.234 814 G HA3 -0.287 3.673 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 45.394 45.100 -0.538 0.000 0.676 814 G HN 0.737 nan 8.290 nan 0.000 0.522 815 H N -1.508 117.534 119.070 -0.047 0.000 2.387 815 H HA -0.087 4.469 4.556 0.000 0.000 0.299 815 H C 2.174 177.463 175.328 -0.064 0.000 1.090 815 H CA 1.573 57.593 56.048 -0.047 0.000 1.332 815 H CB 0.104 29.762 29.762 -0.174 0.000 1.386 815 H HN 0.621 nan 8.280 nan 0.000 0.516 816 Y N 0.791 121.201 120.300 0.185 0.000 2.516 816 Y HA -0.098 4.452 4.550 0.000 0.000 0.291 816 Y C 1.935 177.904 175.900 0.115 0.000 1.131 816 Y CA 0.652 58.825 58.100 0.121 0.000 1.281 816 Y CB 0.388 38.907 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 -0.048 176.107 176.000 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 1.246 124.235 122.820 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 -0.182 52.079 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 0.782 121.183 120.200 0.336 0.000 2.134 819 E HA 0.469 4.819 4.350 0.000 0.000 0.278 819 E C -0.135 176.441 176.600 -0.040 0.000 0.959 819 E CA -0.208 56.303 56.400 0.185 0.000 0.783 819 E CB 1.695 31.473 29.700 0.131 0.000 1.095 819 E HN 0.717 nan 8.360 nan 0.000 0.399 820 A N 2.464 125.146 122.820 -0.230 0.000 2.401 820 A HA 0.577 4.897 4.320 0.000 0.000 0.259 820 A C -0.173 177.251 177.584 -0.268 0.000 1.103 820 A CA -0.126 51.501 52.037 -0.685 0.000 0.789 820 A CB 0.477 19.096 19.000 -0.636 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 -0.267 0.000 2.343 821 A HA 0.579 4.899 4.320 0.000 0.000 0.308 821 A C -0.643 176.869 177.584 -0.121 0.000 1.092 821 A CA -0.552 51.416 52.037 -0.116 0.000 0.751 821 A CB 0.734 19.688 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 0.331 4.671 4.340 0.000 0.000 0.273 822 L C 0.370 177.113 176.870 -0.212 0.000 1.144 822 L CA 0.320 54.980 54.840 -0.301 0.000 0.863 822 L CB 0.272 42.149 42.059 -0.303 0.000 1.140 822 L HN 0.782 nan 8.230 nan 0.000 0.463 823 L N 3.637 124.718 121.223 -0.235 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 0.093 54.859 54.840 -0.122 0.000 0.850 823 L CB 0.072 42.091 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 -1.890 174.052 176.000 -0.097 0.000 0.979 824 Q CA -0.647 55.098 55.803 -0.097 0.000 0.932 824 Q CB 2.401 31.110 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 0.728 5.188 4.460 0.000 0.000 0.337 825 C C -0.670 174.408 174.990 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 2.540 117.124 114.554 0.050 0.000 2.912 826 T HA 0.885 5.235 4.350 0.000 0.000 0.288 826 T C -0.351 174.182 174.700 -0.279 0.000 1.030 826 T CA -0.142 61.931 62.100 -0.044 0.000 1.020 826 T CB 1.906 70.746 68.868 -0.047 0.000 1.056 826 T HN 1.702 nan 8.240 nan 0.000 0.480 827 A N 2.191 124.726 122.820 -0.475 0.000 2.393 827 A HA 0.758 5.078 4.320 0.000 0.000 0.306 827 A C -1.186 176.174 177.584 -0.372 0.000 1.050 827 A CA -0.739 50.917 52.037 -0.635 0.000 0.724 827 A CB 1.414 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 0.691 120.924 120.400 -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 1.434 115.930 114.554 -0.096 0.000 2.772 829 T HA 0.467 4.817 4.350 0.000 0.000 0.288 829 T C 0.172 174.844 174.700 -0.046 0.000 0.994 829 T CA -0.579 61.482 62.100 -0.065 0.000 0.951 829 T CB 0.993 69.837 68.868 -0.040 0.000 0.933 829 T HN 0.047 nan 8.240 nan 0.000 0.447 830 L N 1.675 122.872 121.223 -0.043 0.000 2.440 830 L HA 0.704 5.044 4.340 0.000 0.000 0.262 830 L C 1.733 178.592 176.870 -0.019 0.000 1.072 830 L CA -0.409 54.412 54.840 -0.031 0.000 0.798 830 L CB 0.153 42.192 42.059 -0.033 0.000 1.307 830 L HN 0.708 nan 8.230 nan 0.000 0.475 831 A N -0.662 122.150 122.820 -0.013 0.000 2.016 831 A HA -0.052 4.268 4.320 0.000 0.000 0.217 831 A C 0.997 178.579 177.584 -0.003 0.000 1.162 831 A CA 1.479 53.513 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 -1.745 118.650 120.400 -0.008 0.000 2.441 832 D HA 0.541 5.181 4.640 0.000 0.000 0.210 832 D C 0.402 176.693 176.300 -0.016 0.000 1.102 832 D CA 0.754 54.750 54.000 -0.007 0.000 0.840 832 D CB 0.591 41.388 40.800 -0.005 0.000 0.990 832 D HN 0.465 nan 8.370 nan 0.000 0.505 833 A N -0.356 122.449 122.820 -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 51.245 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 0.330 120.189 119.914 -0.092 0.000 2.547 834 V HA 0.680 4.800 4.120 0.000 0.000 0.299 834 V C -0.838 175.172 176.094 -0.140 0.000 1.040 834 V CA -0.429 61.798 62.300 -0.120 0.000 0.913 834 V CB 1.337 33.077 31.823 -0.139 0.000 0.992 834 V HN 0.843 nan 8.190 nan 0.000 0.449 835 L N 5.937 127.068 121.223 -0.152 0.000 2.376 835 L HA 0.661 5.001 4.340 0.000 0.000 0.275 835 L C -0.911 175.837 176.870 -0.204 0.000 0.987 835 L CA -0.008 54.749 54.840 -0.139 0.000 0.828 835 L CB 1.396 43.397 42.059 -0.096 0.000 1.249 835 L HN 0.418 nan 8.230 nan 0.000 0.409 836 I N 3.620 124.073 120.570 -0.195 0.000 2.474 836 I HA 0.513 4.683 4.170 0.000 0.000 0.294 836 I C -0.164 175.935 176.117 -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 0.526 nan 8.210 nan 0.000 0.436 837 T N 4.184 118.715 114.554 -0.039 0.000 2.879 837 T HA 0.634 4.984 4.350 0.000 0.000 0.290 837 T C -0.079 174.660 174.700 0.066 0.000 0.993 837 T CA -0.488 61.637 62.100 0.041 0.000 0.975 837 T CB 1.872 70.736 68.868 -0.006 0.000 0.981 837 T HN 0.824 nan 8.240 nan 0.000 0.439 838 T N -0.223 114.411 114.554 0.133 0.000 2.906 838 T HA 0.900 5.250 4.350 0.000 0.000 0.295 838 T C -1.155 173.594 174.700 0.082 0.000 1.075 838 T CA -1.059 61.095 62.100 0.089 0.000 1.005 838 T CB 2.052 71.046 68.868 0.209 0.000 1.136 838 T HN 0.769 nan 8.240 nan 0.000 0.498 839 A N 1.479 124.265 122.820 -0.056 0.000 2.459 839 A HA 0.757 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 -0.780 51.272 52.037 0.025 0.000 0.698 839 A CB 0.840 19.857 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 0.202 56.228 56.048 -0.038 0.000 1.154 840 H CB 2.153 31.784 29.762 -0.219 0.000 1.765 840 H HN 1.004 nan 8.280 nan 0.000 0.549 841 A N 1.567 124.415 122.820 0.047 0.000 2.371 841 A HA 0.447 4.767 4.320 0.000 0.000 0.311 841 A C -1.405 176.215 177.584 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 20.284 19.000 0.103 0.000 1.239 841 A HN 0.588 nan 8.150 nan 0.000 0.435 842 W N 2.047 123.456 121.300 0.181 0.000 2.391 842 W HA 0.431 5.091 4.660 0.000 0.000 0.311 842 W C -0.348 176.189 176.519 0.029 0.000 1.087 842 W CA -0.171 57.272 57.345 0.163 0.000 1.209 842 W CB 1.653 31.273 29.460 0.266 0.000 1.273 842 W HN 0.776 nan 8.180 nan 0.000 0.482 843 Q N 1.658 121.594 119.800 0.227 0.000 2.458 843 Q HA 0.463 4.803 4.340 0.000 0.000 0.282 843 Q C -0.947 175.189 176.000 0.228 0.000 1.106 843 Q CA -0.945 54.950 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 1.067 120.168 119.070 0.053 0.000 3.224 844 H HA 0.071 4.627 4.556 0.000 0.000 0.331 844 H C -1.010 174.348 175.328 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 3.268 122.820 119.800 -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 56.870 55.803 -0.311 0.000 0.853 845 Q CB -1.314 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 -0.358 3.602 3.960 0.000 0.000 0.240 846 G HA3 -0.358 3.602 3.960 0.000 0.000 0.240 846 G C 0.073 174.974 174.900 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 1.459 121.867 120.400 0.014 0.000 2.156 847 K HA 0.601 4.921 4.320 0.000 0.000 0.271 847 K C -0.286 176.325 176.600 0.019 0.000 0.995 847 K CA -0.058 56.242 56.287 0.022 0.000 0.890 847 K CB 0.794 33.313 32.500 0.032 0.000 1.073 847 K HN 0.016 nan 8.250 nan 0.000 0.454 848 T N 5.833 120.389 114.554 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 61.685 62.100 -0.004 0.000 0.997 848 T CB 0.364 69.248 68.868 0.027 0.000 0.917 848 T HN 0.536 nan 8.240 nan 0.000 0.487 849 L N 2.344 123.403 121.223 -0.273 0.000 2.102 849 L HA 0.314 4.654 4.340 0.000 0.000 0.202 849 L C -0.012 176.351 176.870 -0.845 0.000 1.076 849 L CA 0.967 55.369 54.840 -0.730 0.000 0.761 849 L CB -0.030 41.190 42.059 -1.399 0.000 0.921 849 L HN 0.514 nan 8.230 nan 0.000 0.444 850 F N -1.387 118.525 119.950 -0.064 0.000 2.626 850 F HA 0.595 5.122 4.527 0.000 0.000 0.311 850 F C -0.507 175.400 175.800 0.179 0.000 1.088 850 F CA -0.885 57.044 58.000 -0.119 0.000 0.949 850 F CB 1.928 40.531 39.000 -0.662 0.000 1.322 850 F HN -0.343 nan 8.300 nan 0.000 0.461 851 I N 1.361 122.175 120.570 0.407 0.000 2.533 851 I HA 0.397 4.567 4.170 0.000 0.000 0.290 851 I C -0.964 175.424 176.117 0.451 0.000 1.056 851 I CA -0.579 60.981 61.300 0.433 0.000 1.057 851 I CB 2.270 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 6.714 122.773 115.700 0.599 0.000 2.552 852 S HA 0.579 5.049 4.470 0.000 0.000 0.314 852 S C -0.779 174.073 174.600 0.420 0.000 1.099 852 S CA -0.677 57.843 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 3.562 124.228 120.500 0.277 0.000 2.437 853 R HA 0.554 4.895 4.340 0.000 0.000 0.310 853 R C -0.644 175.731 176.300 0.124 0.000 0.955 853 R CA -0.769 55.450 56.100 0.198 0.000 0.851 853 R CB 1.853 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 0.675 121.139 120.400 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 2.392 34.807 32.500 -0.143 0.000 1.326 854 K HN 0.615 nan 8.250 nan 0.000 0.460 855 T N -1.394 113.051 114.554 -0.182 0.000 2.952 855 T HA 0.532 4.882 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 1.126 121.409 120.300 -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 40.570 38.460 0.032 0.000 1.179 856 Y HN 0.817 nan 8.280 nan 0.000 0.454 857 R N 4.078 124.618 120.500 0.066 0.000 2.451 857 R HA 0.677 5.017 4.340 0.000 0.000 0.307 857 R C -1.994 174.261 176.300 -0.076 0.000 0.965 857 R CA -0.406 55.680 56.100 -0.023 0.000 0.865 857 R CB 0.691 30.984 30.300 -0.012 0.000 1.174 857 R HN 0.810 nan 8.270 nan 0.000 0.455 858 I N 5.237 125.708 120.570 -0.165 0.000 2.330 858 I HA 0.242 4.412 4.170 0.000 0.000 0.289 858 I C -0.258 175.756 176.117 -0.173 0.000 1.001 858 I CA -0.788 60.348 61.300 -0.274 0.000 1.193 858 I CB 1.378 39.042 38.000 -0.560 0.000 1.345 858 I HN 0.705 nan 8.210 nan 0.000 0.461 859 D N 4.438 124.770 120.400 -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 0.873 41.657 40.800 -0.028 0.000 1.154 859 D HN 0.475 nan 8.370 nan 0.000 0.602 860 G N -1.376 107.416 108.800 -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 1.090 175.990 174.900 0.001 0.000 1.132 860 G CA 0.941 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 -1.216 114.486 115.700 0.003 0.000 2.575 861 S HA 0.384 4.854 4.470 0.000 0.000 0.215 861 S C 1.747 176.384 174.600 0.063 0.000 0.966 861 S CA 0.881 59.089 58.200 0.014 0.000 0.911 861 S CB 0.139 63.342 63.200 0.005 0.000 0.780 861 S HN 1.380 nan 8.310 nan 0.000 0.514 862 G N 0.654 109.511 108.800 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 0.046 45.277 45.100 0.218 0.000 0.665 862 G HN 0.602 nan 8.290 nan 0.000 0.528 863 Q N -0.495 119.356 119.800 0.085 0.000 2.241 863 Q HA 0.666 5.006 4.340 0.000 0.000 0.254 863 Q C 0.148 176.158 176.000 0.017 0.000 0.917 863 Q CA -0.400 55.455 55.803 0.087 0.000 0.919 863 Q CB 1.598 30.382 28.738 0.077 0.000 1.237 863 Q HN 0.417 nan 8.270 nan 0.000 0.434 864 M N 2.133 121.774 119.600 0.069 0.000 2.114 864 M HA 0.556 5.036 4.480 0.000 0.000 0.332 864 M C -1.499 174.888 176.300 0.146 0.000 1.014 864 M CA -0.513 54.808 55.300 0.034 0.000 0.956 864 M CB 1.087 33.703 32.600 0.027 0.000 1.551 864 M HN 0.710 nan 8.290 nan 0.000 0.427 865 A N 6.831 129.710 122.820 0.099 0.000 2.288 865 A HA 0.764 5.084 4.320 0.000 0.000 0.320 865 A C -0.932 176.695 177.584 0.071 0.000 1.217 865 A CA -0.669 51.429 52.037 0.103 0.000 0.840 865 A CB 0.508 19.548 19.000 0.068 0.000 1.179 865 A HN 0.917 nan 8.150 nan 0.000 0.504 866 I N 1.539 122.138 120.570 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 -0.159 0.000 1.005 866 I CA -0.303 60.937 61.300 -0.099 0.000 1.113 866 I CB 2.457 40.424 38.000 -0.056 0.000 1.289 866 I HN 0.507 nan 8.210 nan 0.000 0.436 867 T N 5.225 119.633 114.554 -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 61.550 62.100 -0.251 0.000 0.966 867 T CB 1.732 70.546 68.868 -0.090 0.000 0.962 867 T HN 0.216 nan 8.240 nan 0.000 0.438 868 V N 4.015 123.600 119.914 -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 61.104 62.300 -0.483 0.000 0.873 868 V CB 2.043 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 3.302 123.703 120.400 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 0.047 176.292 176.094 0.251 0.000 1.045 870 V CA -0.698 61.775 62.300 0.289 0.000 0.905 870 V CB 2.510 34.536 31.823 0.338 0.000 0.997 870 V HN 0.374 nan 8.190 nan 0.000 0.436 871 E N 2.174 122.509 120.200 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 32.448 29.700 0.151 0.000 1.169 871 E HN 0.412 nan 8.360 nan 0.000 0.413 872 V N 2.076 122.114 119.914 0.206 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 1.447 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 3.523 126.398 122.820 0.092 0.000 2.548 873 A HA 0.249 4.569 4.320 0.000 0.000 0.247 873 A C 1.647 179.300 177.584 0.114 0.000 1.067 873 A CA 0.652 52.729 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 1.376 nan 8.150 nan 0.000 0.504 874 S N 1.395 117.159 115.700 0.107 0.000 2.442 874 S HA -0.152 4.318 4.470 0.000 0.000 0.236 874 S C 0.846 175.525 174.600 0.130 0.000 1.007 874 S CA 1.350 59.632 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 0.165 120.618 120.400 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 40.563 40.800 0.040 0.000 0.953 875 D HN 0.282 nan 8.370 nan 0.000 0.505 876 T N 1.273 115.892 114.554 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 70.292 68.868 0.171 0.000 0.999 876 T HN -0.170 nan 8.240 nan 0.000 0.474 877 P HA 0.118 nan 4.420 nan 0.000 0.265 877 P C -0.477 177.111 177.300 0.480 0.000 1.193 877 P CA -0.131 63.060 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 3.209 122.639 119.070 0.600 0.000 3.001 878 H HA 0.079 4.635 4.556 0.000 0.000 0.334 878 H C -1.838 173.846 175.328 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 0.095 nan 4.420 nan 0.000 0.274 879 P C 0.333 177.551 177.300 -0.137 0.000 1.231 879 P CA -0.331 62.836 63.100 0.112 0.000 0.790 879 P CB 0.834 32.467 31.700 -0.111 0.000 0.951 880 A N 3.264 125.760 122.820 -0.541 0.000 1.969 880 A HA -0.087 4.233 4.320 0.000 0.000 0.218 880 A C 1.058 178.275 177.584 -0.613 0.000 1.169 880 A CA 1.414 53.095 52.037 -0.593 0.000 0.635 880 A CB -0.540 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 5.057 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 1.271 121.638 120.570 -0.340 0.000 2.517 882 I HA 0.632 4.802 4.170 0.000 0.000 0.280 882 I C -0.443 175.434 176.117 -0.399 0.000 1.061 882 I CA -0.374 60.740 61.300 -0.309 0.000 1.091 882 I CB 1.837 39.723 38.000 -0.190 0.000 1.205 882 I HN 0.975 nan 8.210 nan 0.000 0.459 883 G N 5.819 114.327 108.800 -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 -1.722 172.978 174.900 -0.332 0.000 1.270 883 G CA -0.575 44.279 45.100 -0.410 0.000 0.810 883 G HN 0.273 nan 8.290 nan 0.000 0.493 884 L N 0.758 121.839 121.223 -0.236 0.000 2.333 884 L HA 0.661 5.001 4.340 0.000 0.000 0.263 884 L C -0.751 176.001 176.870 -0.196 0.000 1.014 884 L CA -1.141 53.586 54.840 -0.188 0.000 0.820 884 L CB 2.535 44.552 42.059 -0.070 0.000 1.352 884 L HN 0.809 nan 8.230 nan 0.000 0.421 885 N N 0.536 119.148 118.700 -0.147 0.000 2.610 885 N HA 0.736 5.476 4.740 0.000 0.000 0.264 885 N C -1.236 174.269 175.510 -0.009 0.000 1.348 885 N CA -0.599 52.406 53.050 -0.076 0.000 0.819 885 N CB 2.254 40.725 38.487 -0.026 0.000 1.521 885 N HN 0.864 nan 8.380 nan 0.000 0.497 886 C N -1.614 117.706 119.300 0.035 0.000 3.292 886 C HA 0.572 5.032 4.460 0.000 0.000 0.338 886 C C -1.230 173.608 174.990 -0.254 0.000 1.323 886 C CA -0.879 58.112 59.018 -0.045 0.000 1.232 886 C CB 0.935 28.654 27.740 -0.034 0.000 1.517 886 C HN 0.867 nan 8.230 nan 0.000 0.470 887 Q N 1.451 120.890 119.800 -0.601 0.000 2.368 887 Q HA 0.655 4.995 4.340 0.000 0.000 0.256 887 Q C -0.983 174.726 176.000 -0.486 0.000 0.980 887 Q CA -0.419 54.781 55.803 -1.006 0.000 0.887 887 Q CB 0.814 28.607 28.738 -1.574 0.000 1.221 887 Q HN 0.762 nan 8.270 nan 0.000 0.458 888 L N 2.570 123.603 121.223 -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 0.854 42.953 42.059 0.067 0.000 1.125 888 L HN 0.810 nan 8.230 nan 0.000 0.452 889 A N 1.973 124.743 122.820 -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 -0.496 119.307 119.800 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 0.369 56.176 55.803 0.006 0.000 0.901 890 Q CB 0.842 29.605 28.738 0.042 0.000 1.259 890 Q HN 0.167 nan 8.270 nan 0.000 0.489 891 V N 2.555 122.456 119.914 -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 1.160 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 0.536 178.141 177.584 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 20.218 19.000 -0.579 0.000 1.367 892 A HN 0.680 nan 8.150 nan 0.000 0.461 893 E N -0.155 120.059 120.200 0.023 0.000 2.102 893 E HA 0.094 4.444 4.350 0.000 0.000 0.190 893 E C 0.393 177.074 176.600 0.135 0.000 0.971 893 E CA 1.070 57.515 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 -0.574 120.020 120.500 0.158 0.000 2.854 894 R HA 0.591 4.931 4.340 0.000 0.000 0.271 894 R C -1.100 175.394 176.300 0.323 0.000 0.996 894 R CA -0.928 55.294 56.100 0.204 0.000 0.961 894 R CB 2.332 32.717 30.300 0.141 0.000 1.182 894 R HN -0.179 nan 8.270 nan 0.000 0.479 895 V N 1.890 122.002 119.914 0.330 0.000 2.531 895 V HA 0.360 4.480 4.120 0.000 0.000 0.301 895 V C -0.431 175.938 176.094 0.460 0.000 1.034 895 V CA -0.909 61.624 62.300 0.389 0.000 0.865 895 V CB 1.818 33.822 31.823 0.303 0.000 0.995 895 V HN 0.697 nan 8.190 nan 0.000 0.424 896 N N 4.129 123.086 118.700 0.428 0.000 2.295 896 N HA 0.555 5.295 4.740 0.000 0.000 0.293 896 N C -1.502 174.280 175.510 0.453 0.000 1.040 896 N CA -0.422 52.846 53.050 0.363 0.000 0.840 896 N CB 2.949 41.543 38.487 0.178 0.000 1.468 896 N HN 0.826 nan 8.380 nan 0.000 0.478 897 W N 3.077 124.434 121.300 0.094 0.000 3.137 897 W HA 0.590 5.250 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 -1.079 56.306 57.345 0.067 0.000 1.183 897 W CB 0.703 30.242 29.460 0.131 0.000 1.424 897 W HN 0.261 nan 8.180 nan 0.000 0.566 898 L N 3.971 125.199 121.223 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 0.366 55.036 54.840 -0.282 0.000 0.846 898 L CB 0.839 42.785 42.059 -0.189 0.000 1.220 898 L HN 1.047 nan 8.230 nan 0.000 0.423 899 G N 3.721 112.354 108.800 -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 1.033 122.475 121.223 0.364 0.000 2.380 900 L HA 0.622 4.962 4.340 0.000 0.000 0.273 900 L C 1.055 178.027 176.870 0.171 0.000 1.138 900 L CA 0.674 55.665 54.840 0.252 0.000 0.832 900 L CB 0.729 42.864 42.059 0.127 0.000 1.124 900 L HN 1.152 nan 8.230 nan 0.000 0.454 901 G N 2.705 111.391 108.800 -0.190 0.000 2.427 901 G HA2 0.285 4.245 3.960 0.000 0.000 0.306 901 G HA3 0.285 4.245 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 44.356 45.100 -0.773 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 -1.059 0.000 0.794 902 P CB 0.571 31.793 31.700 -0.796 0.000 0.937 903 Q N 0.570 120.167 119.800 -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 -0.533 55.148 55.803 -0.204 0.000 0.936 903 Q CB 0.665 29.312 28.738 -0.152 0.000 1.204 903 Q HN 0.121 nan 8.270 nan 0.000 0.524 904 E N 1.458 121.552 120.200 -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 56.513 56.400 -0.185 0.000 0.939 904 E CB 0.185 29.844 29.700 -0.070 0.000 0.921 904 E HN 0.533 nan 8.360 nan 0.000 0.477 905 N N 3.050 121.594 118.700 -0.260 0.000 2.264 905 N HA 0.335 5.075 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 0.803 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 0.050 120.250 120.300 -0.167 0.000 2.630 906 Y HA 0.497 5.047 4.550 0.000 0.000 0.337 906 Y C -1.597 174.218 175.900 -0.142 0.000 1.051 906 Y CA -2.103 55.882 58.100 -0.192 0.000 1.121 906 Y CB 1.791 40.132 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 0.267 177.458 177.300 -0.182 0.000 1.150 907 P CA 2.006 65.116 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 -2.272 117.844 120.400 -0.474 0.000 2.368 908 D HA 0.036 4.676 4.640 0.000 0.000 0.218 908 D C 0.611 176.779 176.300 -0.221 0.000 1.112 908 D CA -0.027 53.533 54.000 -0.733 0.000 0.834 908 D CB -0.178 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 1.059 121.514 120.500 -0.076 0.000 2.684 909 R HA 0.200 4.540 4.340 0.000 0.000 0.252 909 R C -0.644 175.683 176.300 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 30.404 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 1.278 178.207 176.870 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 42.268 42.059 0.029 0.000 1.455 910 L HN 0.094 nan 8.230 nan 0.000 0.622 911 T N -2.595 112.043 114.554 0.141 0.000 2.915 911 T HA 0.023 4.373 4.350 0.000 0.000 0.269 911 T C 1.737 176.528 174.700 0.151 0.000 1.071 911 T CA 1.295 63.505 62.100 0.182 0.000 1.132 911 T CB -0.275 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 1.394 124.306 122.820 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 0.545 52.639 52.037 0.096 0.000 0.708 912 A CB -0.901 18.250 19.000 0.253 0.000 0.805 912 A HN 0.824 nan 8.150 nan 0.000 0.460 916 D N 2.939 122.736 120.400 -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 -1.306 0.000 1.451 916 D HN 0.634 nan 8.370 nan 0.000 0.555 917 R N 0.547 120.205 120.500 -1.403 0.000 2.229 917 R HA 0.474 4.814 4.340 0.000 0.000 0.332 917 R C -1.263 174.230 176.300 -1.345 0.000 0.989 917 R CA -0.452 54.965 56.100 -1.139 0.000 0.842 917 R CB 0.485 30.390 30.300 -0.658 0.000 1.119 917 R HN 0.241 nan 8.270 nan 0.000 0.456 918 W N 2.582 123.332 121.300 -0.915 0.000 2.639 918 W HA 0.417 5.077 4.660 0.000 0.000 0.347 918 W C -0.407 175.714 176.519 -0.664 0.000 1.067 918 W CA -0.663 56.098 57.345 -0.973 0.000 1.218 918 W CB 1.501 29.915 29.460 -1.743 0.000 1.393 918 W HN 0.314 nan 8.180 nan 0.000 0.557 919 D N 2.673 123.016 120.400 -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 -0.108 53.935 54.000 0.072 0.000 0.952 919 D CB 1.092 41.904 40.800 0.019 0.000 1.317 919 D HN 0.365 nan 8.370 nan 0.000 0.577 920 L N 2.560 123.951 121.223 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 2.576 44.806 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 0.455 177.838 177.300 0.139 0.000 1.249 921 P CA -0.465 62.714 63.100 0.132 0.000 0.806 921 P CB 1.097 32.854 31.700 0.094 0.000 0.984 922 L N 3.467 124.777 121.223 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 2.674 57.590 54.840 0.127 0.000 0.758 922 L CB -1.416 40.733 42.059 0.151 0.000 0.891 922 L HN 0.409 nan 8.230 nan 0.000 0.433 923 S N -1.708 114.049 115.700 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 0.118 0.000 1.025 923 S CA 1.222 59.486 58.200 0.107 0.000 0.993 923 S CB -0.784 62.468 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 1.198 177.511 176.300 0.023 0.000 0.970 924 D CA 0.605 54.636 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 -0.291 119.333 119.600 0.039 0.000 2.505 925 M HA 0.087 4.567 4.480 0.000 0.000 0.230 925 M C -0.163 176.157 176.300 0.033 0.000 1.153 925 M CA -0.055 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 -0.037 120.226 120.300 -0.062 0.000 2.376 926 Y HA 0.485 5.035 4.550 0.000 0.000 0.340 926 Y C -0.860 174.976 175.900 -0.108 0.000 0.965 926 Y CA -0.689 57.383 58.100 -0.046 0.000 1.078 926 Y CB 1.462 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 8.876 122.922 114.554 -0.848 0.000 2.788 927 T HA 0.279 4.629 4.350 0.000 0.000 0.296 927 T C -2.706 171.198 174.700 -1.326 0.000 1.009 927 T CA -1.515 60.009 62.100 -0.961 0.000 0.949 927 T CB 1.058 69.463 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 -0.661 176.455 177.300 -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 -0.321 119.882 120.300 -0.162 0.000 2.526 929 Y HA -0.077 4.473 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 -0.509 57.570 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 3.752 123.869 119.914 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 3.238 123.221 119.950 0.056 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 54.695 58.000 -0.037 0.000 1.102 931 F CB 0.924 39.789 39.000 -0.224 0.000 1.183 931 F HN -0.013 nan 8.300 nan 0.000 0.476 932 P HA 0.313 nan 4.420 nan 0.000 0.275 932 P C -1.117 175.894 177.300 -0.481 0.000 1.228 932 P CA -0.090 62.767 63.100 -0.406 0.000 0.786 932 P CB 1.485 32.989 31.700 -0.328 0.000 0.927 933 S N -0.402 115.195 115.700 -0.172 0.000 2.703 933 S HA 0.419 4.889 4.470 0.000 0.000 0.273 933 S C -0.828 173.761 174.600 -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 1.285 121.484 120.200 -0.001 0.000 2.529 934 E HA 0.351 4.701 4.350 0.000 0.000 0.259 934 E C -0.152 176.491 176.600 0.072 0.000 0.966 934 E CA 0.939 57.363 56.400 0.040 0.000 0.937 934 E CB -0.403 29.343 29.700 0.078 0.000 0.923 934 E HN 0.780 nan 8.360 nan 0.000 0.468 935 N N 1.601 120.376 118.700 0.124 0.000 3.116 935 N HA 0.534 5.274 4.740 0.000 0.000 0.244 935 N C 0.297 175.859 175.510 0.086 0.000 1.485 935 N CA -0.618 52.541 53.050 0.181 0.000 0.884 935 N CB 0.794 39.370 38.487 0.148 0.000 1.415 935 N HN 0.645 nan 8.380 nan 0.000 0.524 936 G N -1.436 107.379 108.800 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 0.397 45.399 45.100 -0.163 0.000 0.641 936 G HN 0.683 nan 8.290 nan 0.000 0.533 937 L N 1.297 122.213 121.223 -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 0.498 54.798 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 3.601 123.464 120.500 -1.061 0.000 2.575 938 R HA 0.478 4.818 4.340 0.000 0.000 0.293 938 R C -1.192 174.743 176.300 -0.608 0.000 0.983 938 R CA -0.726 54.866 56.100 -0.847 0.000 0.887 938 R CB 0.874 30.640 30.300 -0.891 0.000 1.184 938 R HN 0.549 nan 8.270 nan 0.000 0.445 939 C N -0.006 119.085 119.300 -0.349 0.000 2.354 939 C HA 0.643 5.103 4.460 0.000 0.000 0.381 939 C C 1.354 176.316 174.990 -0.046 0.000 1.240 939 C CA 0.359 59.258 59.018 -0.199 0.000 2.089 939 C CB 1.143 28.790 27.740 -0.157 0.000 2.234 939 C HN 1.074 nan 8.230 nan 0.000 0.544 940 G N 2.171 110.954 108.800 -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 -0.085 174.869 174.900 0.089 0.000 0.998 940 G CA 0.545 45.675 45.100 0.051 0.000 1.046 940 G HN 0.798 nan 8.290 nan 0.000 0.513 941 T N -0.339 114.139 114.554 -0.127 0.000 2.799 941 T HA 0.494 4.844 4.350 0.000 0.000 0.286 941 T C 1.541 175.962 174.700 -0.464 0.000 0.973 941 T CA -0.527 61.462 62.100 -0.185 0.000 1.035 941 T CB 1.351 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 0.527 176.877 176.300 0.082 0.000 0.905 942 R CA 0.171 56.261 56.100 -0.016 0.000 1.044 942 R CB 0.841 31.246 30.300 0.175 0.000 1.056 942 R HN 0.610 nan 8.270 nan 0.000 0.535 943 E N 0.951 121.221 120.200 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 -0.617 55.918 56.400 0.225 0.000 0.770 943 E CB 1.826 31.625 29.700 0.165 0.000 1.225 943 E HN -0.098 nan 8.360 nan 0.000 0.417 944 L N 4.127 125.549 121.223 0.332 0.000 2.410 944 L HA 0.601 4.941 4.340 0.000 0.000 0.270 944 L C -1.866 175.227 176.870 0.373 0.000 0.983 944 L CA -0.376 54.613 54.840 0.250 0.000 0.822 944 L CB 1.796 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 4.485 123.371 118.700 0.310 0.000 2.346 945 N HA 0.407 5.147 4.740 0.000 0.000 0.289 945 N C -2.034 173.720 175.510 0.407 0.000 1.027 945 N CA -0.282 52.956 53.050 0.314 0.000 0.864 945 N CB 2.293 40.899 38.487 0.198 0.000 1.370 945 N HN 0.615 nan 8.380 nan 0.000 0.481 946 Y N 1.291 121.751 120.300 0.267 0.000 2.323 946 Y HA 0.419 4.969 4.550 0.000 0.000 0.322 946 Y C 0.470 176.484 175.900 0.190 0.000 1.133 946 Y CA 0.202 58.441 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 -0.195 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 -1.907 172.905 174.900 -0.147 0.000 1.200 947 G CA -0.061 44.892 45.100 -0.245 0.000 0.951 947 G HN 0.552 nan 8.290 nan 0.000 0.566 948 P HA 0.130 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 0.967 63.875 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 -0.221 118.796 119.070 -0.089 0.000 2.505 949 H HA 0.470 5.026 4.556 0.000 0.000 0.351 949 H C 0.420 175.515 175.328 -0.390 0.000 1.151 949 H CA -0.168 55.706 56.048 -0.291 0.000 1.339 949 H CB 0.824 30.247 29.762 -0.565 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 54.892 55.803 -0.234 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 3.543 124.847 121.300 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 2.236 31.511 29.460 -0.308 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 2.363 32.829 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 0.252 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 0.117 120.672 120.400 0.259 0.000 2.346 954 D HA 0.649 5.289 4.640 0.000 0.000 0.255 954 D C -0.549 175.763 176.300 0.021 0.000 1.276 954 D CA -0.425 53.593 54.000 0.029 0.000 0.941 954 D CB 0.363 41.202 40.800 0.065 0.000 1.199 954 D HN 0.579 nan 8.370 nan 0.000 0.537 955 F N -0.053 119.893 119.950 -0.007 0.000 3.016 955 F HA 0.657 5.184 4.527 0.000 0.000 0.324 955 F C -1.386 174.374 175.800 -0.068 0.000 1.196 955 F CA -1.097 56.834 58.000 -0.115 0.000 0.929 955 F CB 0.669 39.586 39.000 -0.138 0.000 1.440 955 F HN -0.096 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 -1.316 174.780 176.000 0.160 0.000 1.089 956 Q CA -0.514 55.294 55.803 0.009 0.000 0.824 956 Q CB 2.806 31.423 28.738 -0.202 0.000 1.367 956 Q HN 0.880 nan 8.270 nan 0.000 0.443 957 F N -1.180 118.658 119.950 -0.186 0.000 2.711 957 F HA 0.777 5.304 4.527 0.000 0.000 0.313 957 F C -1.607 173.984 175.800 -0.348 0.000 1.141 957 F CA -1.084 56.766 58.000 -0.251 0.000 0.941 957 F CB 1.618 40.482 39.000 -0.225 0.000 1.349 957 F HN 0.577 nan 8.300 nan 0.000 0.464 958 N N 1.085 119.658 118.700 -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 0.625 121.156 120.570 -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 0.519 4.989 4.470 0.000 0.000 0.280 960 S C -0.349 174.185 174.600 -0.111 0.000 1.200 960 S CA -0.952 57.211 58.200 -0.061 0.000 0.900 960 S CB 1.533 64.762 63.200 0.048 0.000 1.235 960 S HN 0.621 nan 8.310 nan 0.000 0.512 961 R N -0.114 120.144 120.500 -0.403 0.000 2.427 961 R HA 0.287 4.627 4.340 0.000 0.000 0.262 961 R C -0.978 174.970 176.300 -0.586 0.000 0.943 961 R CA 0.195 56.008 56.100 -0.479 0.000 1.081 961 R CB -0.540 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 0.344 120.611 120.300 -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 -1.172 56.803 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 1.559 116.908 115.700 -0.584 0.000 2.603 963 S HA 0.076 4.546 4.470 0.000 0.000 0.268 963 S C 0.866 175.131 174.600 -0.558 0.000 1.317 963 S CA -0.689 56.821 58.200 -1.150 0.000 1.012 963 S CB 1.170 63.642 63.200 -1.212 0.000 0.926 963 S HN 0.751 nan 8.310 nan 0.000 0.539 964 Q N 0.610 120.090 119.800 -0.534 0.000 2.135 964 Q HA -0.194 4.146 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 1.776 57.410 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 0.654 120.296 119.800 -0.264 0.000 2.079 965 Q HA -0.201 4.139 4.340 0.000 0.000 0.200 965 Q C 2.045 177.948 176.000 -0.162 0.000 0.974 965 Q CA 1.327 57.028 55.803 -0.170 0.000 0.840 965 Q CB 0.025 28.684 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 1.304 56.999 55.803 -0.179 0.000 0.840 966 Q CB -0.092 28.521 28.738 -0.207 0.000 0.898 966 Q HN 0.465 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 56.110 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 1.582 177.802 176.300 -0.133 0.000 1.073 968 M CA 1.545 56.758 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 -0.726 119.397 120.200 -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 56.500 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 1.129 175.729 174.700 -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 0.349 58.608 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 0.241 119.295 119.070 -0.025 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 0.080 0.000 1.159 972 H CB 1.520 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 1.350 121.959 120.500 0.181 0.000 2.105 973 R HA -0.182 4.158 4.340 0.000 0.000 0.239 973 R C 1.391 177.690 176.300 -0.001 0.000 1.135 973 R CA 1.936 58.070 56.100 0.056 0.000 0.967 973 R CB -0.569 29.790 30.300 0.099 0.000 0.861 973 R HN 0.772 nan 8.270 nan 0.000 0.442 974 H N 1.585 120.657 119.070 0.003 0.000 2.489 974 H HA -0.023 4.533 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 1.044 57.047 56.048 -0.075 0.000 1.305 974 H CB -0.246 29.458 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 -0.721 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 54.446 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 0.745 121.838 121.223 -0.217 0.000 2.395 976 L HA 0.217 4.557 4.340 0.000 0.000 0.269 976 L C 0.270 177.132 176.870 -0.013 0.000 1.133 976 L CA -0.296 54.416 54.840 -0.213 0.000 0.812 976 L CB 0.605 42.353 42.059 -0.519 0.000 1.125 976 L HN 0.170 nan 8.230 nan 0.000 0.452 977 H N 1.687 120.802 119.070 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 4.049 126.950 122.820 0.137 0.000 2.540 978 A HA 0.083 4.403 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 -0.186 51.768 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 1.108 121.284 120.200 -0.040 0.000 2.359 979 E HA 0.118 4.468 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 0.230 120.449 120.200 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 1.728 58.110 56.400 -0.031 0.000 0.818 980 E CB 0.014 29.695 29.700 -0.031 0.000 0.749 980 E HN 0.564 nan 8.360 nan 0.000 0.453 981 G N -1.358 107.348 108.800 -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 -0.683 174.135 174.900 -0.136 0.000 1.206 981 G CA -0.158 44.861 45.100 -0.135 0.000 0.776 981 G HN 0.098 nan 8.290 nan 0.000 0.697 982 T N 0.453 114.923 114.554 -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 3.069 124.283 121.300 -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 5.424 126.682 121.223 0.057 0.000 2.362 984 L HA 0.524 4.864 4.340 0.000 0.000 0.275 984 L C -0.999 175.795 176.870 -0.127 0.000 0.998 984 L CA -0.448 54.305 54.840 -0.146 0.000 0.820 984 L CB 1.089 42.927 42.059 -0.368 0.000 1.270 984 L HN 0.323 nan 8.230 nan 0.000 0.415 985 N N 6.944 125.551 118.700 -0.156 0.000 2.442 985 N HA 0.451 5.191 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 52.605 53.050 -0.169 0.000 0.910 985 N CB 2.244 40.655 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 0.265 4.435 4.170 0.000 0.000 0.286 986 I C -0.458 175.470 176.117 -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 39.033 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 -0.220 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 1.216 109.463 108.800 -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 44.882 45.100 -1.310 0.000 0.793 988 G HN 0.385 nan 8.290 nan 0.000 0.535 989 F N -1.917 117.824 119.950 -0.348 0.000 2.654 989 F HA 0.545 5.072 4.527 0.000 0.000 0.308 989 F C -0.666 175.027 175.800 -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 2.408 121.485 119.070 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 -0.720 55.308 56.048 -0.034 0.000 1.208 990 H CB 2.490 32.211 29.762 -0.068 0.000 1.727 990 H HN 0.837 nan 8.280 nan 0.000 0.534 991 M N 2.421 121.997 119.600 -0.040 0.000 2.245 991 M HA 0.264 4.744 4.480 0.000 0.000 0.330 991 M C 0.583 177.000 176.300 0.195 0.000 1.098 991 M CA 0.278 55.610 55.300 0.054 0.000 1.172 991 M CB 0.382 32.915 32.600 -0.112 0.000 1.467 991 M HN 0.744 nan 8.290 nan 0.000 0.454 992 G N 2.366 111.247 108.800 0.134 0.000 2.683 992 G HA2 0.331 4.291 3.960 0.000 0.000 0.260 992 G HA3 0.331 4.291 3.960 0.000 0.000 0.260 992 G C 0.542 175.414 174.900 -0.047 0.000 1.238 992 G CA -0.332 44.770 45.100 0.004 0.000 0.934 992 G HN 0.962 nan 8.290 nan 0.000 0.534 993 I N -2.703 117.788 120.570 -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 -0.126 0.000 1.274 993 I CA 0.505 61.701 61.300 -0.174 0.000 1.301 993 I CB -0.325 37.483 38.000 -0.319 0.000 1.105 993 I HN 0.969 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 0.055 4.015 3.960 0.000 0.000 0.244 994 G HA3 0.055 4.015 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 0.104 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 -2.251 106.554 108.800 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 46.048 45.100 0.021 0.000 0.730 995 G HN 0.989 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 2.078 56.191 54.000 0.188 0.000 0.857 996 D CB 0.149 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 -3.526 116.694 120.400 -0.300 0.000 2.653 997 D HA 0.246 4.886 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 0.738 40.505 40.800 -1.721 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 0.259 4.729 4.470 0.000 0.000 0.245 998 S C -0.503 174.162 174.600 0.109 0.000 1.021 998 S CA -0.642 57.403 58.200 -0.259 0.000 1.006 998 S CB -0.601 62.682 63.200 0.139 0.000 0.830 998 S HN 0.615 nan 8.310 nan 0.000 0.468 999 W N 0.923 122.169 121.300 -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 -0.546 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 -1.007 114.608 115.700 -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 0.054 0.000 0.763 1001 P CB 0.688 32.334 31.700 -0.091 0.000 0.806 1002 S N 0.689 116.463 115.700 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 -0.263 62.934 63.200 -0.005 0.000 1.017 1002 S HN 0.117 nan 8.310 nan 0.000 0.576 1003 V N 4.231 124.267 119.914 0.202 0.000 2.408 1003 V HA 0.414 4.534 4.120 0.000 0.000 0.267 1003 V C 0.783 177.037 176.094 0.266 0.000 1.047 1003 V CA -0.476 61.942 62.300 0.195 0.000 0.937 1003 V CB 0.636 32.533 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 2.573 1004 S HA 0.332 4.802 4.470 0.000 0.000 0.277 1004 S C 1.495 176.241 174.600 0.243 0.000 1.346 1004 S CA -0.016 58.348 58.200 0.273 0.000 1.034 1004 S CB 1.301 64.629 63.200 0.212 0.000 0.879 1004 S HN 1.044 nan 8.310 nan 0.000 0.528 1005 A N 1.918 124.825 122.820 0.145 0.000 1.917 1005 A HA -0.189 4.131 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 1.979 54.080 52.037 0.105 0.000 0.633 1005 A CB -1.228 17.815 19.000 0.072 0.000 0.819 1005 A HN 0.962 nan 8.150 nan 0.000 0.448 1006 E N -1.052 119.053 120.200 -0.158 0.000 2.396 1006 E HA -0.117 4.233 4.350 0.000 0.000 0.200 1006 E C 0.714 176.992 176.600 -0.537 0.000 1.023 1006 E CA 1.048 57.212 56.400 -0.393 0.000 0.857 1006 E CB -0.365 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 -0.522 57.524 58.000 0.075 0.000 1.270 1007 F CB 0.436 39.480 39.000 0.073 0.000 1.024 1007 F HN -0.168 nan 8.300 nan 0.000 0.548 1008 Q N 1.325 121.237 119.800 0.186 0.000 2.230 1008 Q HA 0.416 4.756 4.340 0.000 0.000 0.248 1008 Q C -0.228 175.798 176.000 0.043 0.000 0.915 1008 Q CA -0.569 55.320 55.803 0.144 0.000 0.900 1008 Q CB 2.052 30.959 28.738 0.281 0.000 1.229 1008 Q HN 0.259 nan 8.270 nan 0.000 0.439 1009 L N 2.420 123.647 121.223 0.007 0.000 2.399 1009 L HA 0.114 4.454 4.340 0.000 0.000 0.257 1009 L C 0.669 177.455 176.870 -0.140 0.000 1.236 1009 L CA -0.065 54.754 54.840 -0.036 0.000 1.144 1009 L CB -0.302 41.649 42.059 -0.179 0.000 1.379 1009 L HN 0.696 nan 8.230 nan 0.000 0.414 1010 S N -0.984 114.569 115.700 -0.245 0.000 2.568 1010 S HA 0.159 4.629 4.470 0.000 0.000 0.232 1010 S C 1.566 176.082 174.600 -0.141 0.000 0.975 1010 S CA 0.161 58.061 58.200 -0.500 0.000 0.949 1010 S CB 0.743 63.634 63.200 -0.515 0.000 0.829 1010 S HN 0.524 nan 8.310 nan 0.000 0.479 1011 A N 1.362 124.143 122.820 -0.065 0.000 2.119 1011 A HA 0.491 4.811 4.320 0.000 0.000 0.217 1011 A C 2.068 179.501 177.584 -0.252 0.000 1.153 1011 A CA 1.069 52.948 52.037 -0.262 0.000 0.692 1011 A CB -1.176 17.475 19.000 -0.581 0.000 0.799 1011 A HN 1.478 nan 8.150 nan 0.000 0.458 1012 G N -1.421 107.315 108.800 -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 0.387 45.474 45.100 -0.021 0.000 0.647 1012 G HN 0.660 nan 8.290 nan 0.000 0.512 1013 R N -0.594 119.709 120.500 -0.328 0.000 2.574 1013 R HA 0.645 4.985 4.340 0.000 0.000 0.288 1013 R C -1.642 174.336 176.300 -0.537 0.000 1.004 1013 R CA -0.581 55.383 56.100 -0.227 0.000 0.895 1013 R CB 1.592 31.824 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 -0.377 175.687 175.900 0.273 0.000 0.981 1014 Y CA -0.853 57.235 58.100 -0.020 0.000 1.033 1014 Y CB 2.258 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 2.717 122.070 119.070 0.471 0.000 2.679 1015 H HA 0.610 5.166 4.556 0.000 0.000 0.360 1015 H C -1.716 173.978 175.328 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 31.114 29.762 0.235 0.000 1.636 1015 H HN 0.585 nan 8.280 nan 0.000 0.531 1016 Y N 1.193 121.279 120.300 -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 39.856 38.460 -0.068 0.000 1.303 1016 Y HN 0.661 nan 8.280 nan 0.000 0.460 1017 Q N 2.314 122.080 119.800 -0.056 0.000 2.418 1017 Q HA 0.811 5.151 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 0.189 121.464 121.223 0.087 0.000 2.479 1018 L HA 0.762 5.102 4.340 0.000 0.000 0.255 1018 L C -1.193 175.786 176.870 0.181 0.000 1.026 1018 L CA -1.215 53.720 54.840 0.160 0.000 0.842 1018 L CB 2.496 44.631 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 -0.081 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