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 1bgm_1_N DATA FIRST_RESID 3 DATA SEQUENCE ITDSLAVVLQ RRDWENPGVT QLNRLAAHPP FASWRNSEEA RTDRPSQQLR DATA SEQUENCE SLNGEWRFAW FPAPEAVPES WLECDLPEAD TVVVPSNWQM HGYDAPIYTN DATA SEQUENCE VTYPITVNPP FVPTENPTGC YSLTFNVDES WLQEGQTRII FDGVNSAFHL DATA SEQUENCE WCNGRWVGYG QDSRLPSEFD LSAFLRAGEN RLAVMVLRWS DGSYLEDQDM DATA SEQUENCE WRMSGIFRDV SLLHKPTTQI SDFHVATRFN DDFSRAVLEA EVQMCGELRD DATA SEQUENCE YLRVTVSLWQ GETQVASGTA PFGGEIIDER GGYADRVTLR LNVENPKLWS DATA SEQUENCE AEIPNLYRAV VELHTADGTL IEAEACDVGF REVRIENGLL LLNGKPLLIR DATA SEQUENCE GVNRHEHHPL HGQVMDEQTM VQDILLMKQN NFNAVRCSHY PNHPLWYTLC DATA SEQUENCE DRYGLYVVDE ANIETHGMVP MNRLTDDPRW LPAMSERVTR MVQRDRNHPS DATA SEQUENCE VIIWSLGNES GHGANHDALY RWIKSVDPSR PVQYEGGGAD TTATDIICPM DATA SEQUENCE YARVDEDQPF PAVPKWSIKK WLSLPGETRP LILCEYAHAM GNSLGGFAKY DATA SEQUENCE WQAFRQYPRL QGGFVWDWVD QSLIKYDENG NPWSAYGGDF GDTPNDRQFC DATA SEQUENCE MNGLVFADRT PHPALTEAKH QQQFFQFRLS GQTIEVTSEY LFRHSDNELL DATA SEQUENCE HWMVALDGKP LASGEVPLDV APQGKQLIEL PELPQPESAG QLWLTVRVVQ DATA SEQUENCE PNATAWSEAG HISAWQQWRL AENLSVTLPA ASHAIPHLTT SEMDFCIELG DATA SEQUENCE NKRWQFNRQS GFLSQMWIGD KKQLLTPLRD QFTRAPLDND IGVSEATRID DATA SEQUENCE PNAWVERWKA AGHYQAEAAL LQCTADTLAD AVLITTAHAW QHQGKTLFIS DATA SEQUENCE RKTYRIDGSG QMAITVDVEV ASDTPHPARI GLNCQLAQVA ERVNWLGLGP DATA SEQUENCE QENYPDRLTA ACFDRWDLPL SDMYTPYVFP SENGLRCGTR ELNYGPHQWR DATA SEQUENCE GDFQFNISRY SQQQLMETSH RHLLHAEEGT WLNIDGFHMG IGGDDSWSPS DATA SEQUENCE VSAEFQLSAG RYHYQLVWCQ K VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 3 I HA 0.000 nan 4.170 nan 0.000 0.288 3 I C 0.000 176.137 176.117 0.033 0.000 1.063 3 I CA 0.000 61.320 61.300 0.033 0.000 1.566 3 I CB 0.000 38.009 38.000 0.015 0.000 1.214 4 T N -1.639 112.934 114.554 0.031 0.000 2.977 4 T HA -0.051 4.299 4.350 -0.000 0.000 0.271 4 T C 1.030 175.743 174.700 0.020 0.000 1.105 4 T CA 1.681 63.783 62.100 0.002 0.000 1.116 4 T CB -0.789 68.077 68.868 -0.003 0.000 0.878 4 T HN 0.392 nan 8.240 nan 0.000 0.509 5 D N 2.090 122.561 120.400 0.120 0.000 2.363 5 D HA 0.079 4.719 4.640 -0.000 0.000 0.226 5 D C 0.737 177.231 176.300 0.324 0.000 1.020 5 D CA 0.216 54.381 54.000 0.274 0.000 0.892 5 D CB -0.147 40.846 40.800 0.322 0.000 0.900 5 D HN 0.599 nan 8.370 nan 0.000 0.531 6 S N -0.020 115.764 115.700 0.140 0.000 2.489 6 S HA 0.130 4.600 4.470 -0.000 0.000 0.277 6 S C 1.354 176.007 174.600 0.088 0.000 1.230 6 S CA -0.730 57.522 58.200 0.086 0.000 1.053 6 S CB 1.243 64.458 63.200 0.025 0.000 0.955 6 S HN 0.010 nan 8.310 nan 0.000 0.488 7 L N 4.056 125.339 121.223 0.100 0.000 2.151 7 L HA -0.247 4.093 4.340 -0.000 0.000 0.219 7 L C 2.776 179.680 176.870 0.056 0.000 1.083 7 L CA 2.539 57.446 54.840 0.111 0.000 0.782 7 L CB -0.872 41.200 42.059 0.021 0.000 0.891 7 L HN 0.976 nan 8.230 nan 0.000 0.439 8 A N -1.758 121.074 122.820 0.021 0.000 1.930 8 A HA -0.106 4.214 4.320 -0.000 0.000 0.217 8 A C 2.251 179.822 177.584 -0.020 0.000 1.175 8 A CA 1.675 53.717 52.037 0.007 0.000 0.627 8 A CB -0.700 18.300 19.000 -0.000 0.000 0.815 8 A HN 0.225 nan 8.150 nan 0.000 0.443 9 V N -0.214 119.674 119.914 -0.042 0.000 2.229 9 V HA -0.227 3.893 4.120 -0.000 0.000 0.243 9 V C 2.607 178.600 176.094 -0.167 0.000 1.042 9 V CA 2.047 64.290 62.300 -0.096 0.000 1.000 9 V CB -0.969 30.794 31.823 -0.101 0.000 0.637 9 V HN 0.375 nan 8.190 nan 0.000 0.446 10 V N 0.354 120.131 119.914 -0.228 0.000 2.252 10 V HA -0.317 3.803 4.120 -0.000 0.000 0.249 10 V C 2.305 178.251 176.094 -0.247 0.000 1.056 10 V CA 2.373 64.425 62.300 -0.414 0.000 1.022 10 V CB -0.902 30.628 31.823 -0.489 0.000 0.641 10 V HN 0.476 nan 8.190 nan 0.000 0.445 11 L N -0.225 120.975 121.223 -0.038 0.000 2.275 11 L HA -0.189 4.151 4.340 -0.000 0.000 0.215 11 L C 2.601 179.470 176.870 -0.002 0.000 1.119 11 L CA 1.308 56.228 54.840 0.133 0.000 0.790 11 L CB -0.722 41.526 42.059 0.315 0.000 0.919 11 L HN 0.378 nan 8.230 nan 0.000 0.443 12 Q N 1.242 121.006 119.800 -0.060 0.000 2.152 12 Q HA -0.235 4.105 4.340 -0.000 0.000 0.206 12 Q C 2.212 178.121 176.000 -0.151 0.000 0.985 12 Q CA 1.840 57.593 55.803 -0.082 0.000 0.863 12 Q CB -0.059 28.626 28.738 -0.088 0.000 0.904 12 Q HN 0.435 nan 8.270 nan 0.000 0.422 13 R N -0.237 120.134 120.500 -0.215 0.000 2.115 13 R HA 0.069 4.409 4.340 -0.000 0.000 0.230 13 R C 0.303 176.372 176.300 -0.386 0.000 1.111 13 R CA 0.876 56.820 56.100 -0.259 0.000 0.976 13 R CB -0.253 29.900 30.300 -0.244 0.000 0.870 13 R HN 0.148 nan 8.270 nan 0.000 0.445 14 R N 1.008 121.108 120.500 -0.667 0.000 3.261 14 R HA -0.130 4.210 4.340 -0.000 0.000 0.257 14 R C -0.672 175.055 176.300 -0.955 0.000 1.014 14 R CA 0.398 55.748 56.100 -1.249 0.000 0.681 14 R CB -1.446 28.421 30.300 -0.721 0.000 1.155 14 R HN 0.362 nan 8.270 nan 0.000 0.424 15 D N -0.325 119.625 120.400 -0.751 0.000 2.350 15 D HA -0.135 4.505 4.640 -0.000 0.000 0.216 15 D C 1.576 177.787 176.300 -0.147 0.000 0.968 15 D CA 1.321 55.081 54.000 -0.400 0.000 0.894 15 D CB -0.108 40.436 40.800 -0.426 0.000 0.909 15 D HN 0.691 nan 8.370 nan 0.000 0.520 16 W N 1.143 122.487 121.300 0.072 0.000 3.180 16 W HA 0.221 4.881 4.660 -0.000 0.000 0.254 16 W C 0.636 177.268 176.519 0.189 0.000 1.318 16 W CA -0.194 57.276 57.345 0.208 0.000 1.608 16 W CB -0.308 29.284 29.460 0.219 0.000 1.124 16 W HN -0.177 nan 8.180 nan 0.000 0.694 17 E N 0.918 121.026 120.200 -0.153 0.000 2.869 17 E HA 0.056 4.406 4.350 -0.000 0.000 0.207 17 E C -0.595 175.934 176.600 -0.118 0.000 0.986 17 E CA -0.173 56.215 56.400 -0.019 0.000 1.131 17 E CB -0.182 29.545 29.700 0.045 0.000 1.098 17 E HN 0.017 nan 8.360 nan 0.000 0.459 18 N N 1.394 120.033 118.700 -0.101 0.000 2.549 18 N HA 0.145 4.885 4.740 -0.000 0.000 0.281 18 N C -2.270 173.121 175.510 -0.199 0.000 1.084 18 N CA -2.131 50.816 53.050 -0.172 0.000 0.862 18 N CB 1.567 39.959 38.487 -0.158 0.000 1.333 18 N HN -0.191 nan 8.380 nan 0.000 0.523 19 P HA 0.070 nan 4.420 nan 0.000 0.239 19 P C 1.006 178.067 177.300 -0.400 0.000 1.184 19 P CA 0.474 63.248 63.100 -0.544 0.000 0.760 19 P CB 0.128 31.011 31.700 -1.362 0.000 0.884 20 G N -0.226 108.397 108.800 -0.295 0.000 2.551 20 G HA2 0.052 4.012 3.960 -0.000 0.000 0.216 20 G HA3 0.052 4.012 3.960 -0.000 0.000 0.216 20 G C 0.312 175.142 174.900 -0.116 0.000 1.137 20 G CA 0.232 45.209 45.100 -0.205 0.000 0.798 20 G HN 0.224 nan 8.290 nan 0.000 0.536 21 V N 1.349 121.220 119.914 -0.071 0.000 2.380 21 V HA 0.409 4.529 4.120 -0.000 0.000 0.286 21 V C 0.574 176.714 176.094 0.076 0.000 1.015 21 V CA 0.012 62.326 62.300 0.024 0.000 0.834 21 V CB 1.090 32.953 31.823 0.067 0.000 1.009 21 V HN 0.241 nan 8.190 nan 0.000 0.428 22 T N 0.328 114.891 114.554 0.014 0.000 3.040 22 T HA 0.424 4.774 4.350 -0.000 0.000 0.266 22 T C 0.157 174.789 174.700 -0.112 0.000 1.005 22 T CA 0.106 62.184 62.100 -0.037 0.000 0.906 22 T CB 0.212 69.048 68.868 -0.053 0.000 1.082 22 T HN 0.796 nan 8.240 nan 0.000 0.531 23 Q N 0.198 119.966 119.800 -0.053 0.000 2.617 23 Q HA 0.660 5.000 4.340 -0.000 0.000 0.270 23 Q C -2.390 173.659 176.000 0.081 0.000 0.967 23 Q CA -1.076 54.677 55.803 -0.084 0.000 0.887 23 Q CB 0.758 29.420 28.738 -0.127 0.000 1.516 23 Q HN 0.077 nan 8.270 nan 0.000 0.395 24 L N 3.169 124.475 121.223 0.139 0.000 2.518 24 L HA 0.583 4.923 4.340 -0.000 0.000 0.262 24 L C -0.878 176.094 176.870 0.170 0.000 0.982 24 L CA 0.181 55.165 54.840 0.239 0.000 0.873 24 L CB 0.946 43.301 42.059 0.494 0.000 1.198 24 L HN 0.855 nan 8.230 nan 0.000 0.427 25 N N 1.505 120.252 118.700 0.079 0.000 2.937 25 N HA -0.155 4.585 4.740 -0.000 0.000 0.248 25 N C 0.333 175.782 175.510 -0.103 0.000 1.069 25 N CA 0.443 53.524 53.050 0.052 0.000 0.822 25 N CB -0.487 38.056 38.487 0.093 0.000 1.122 25 N HN 0.547 nan 8.380 nan 0.000 0.554 26 R N 1.123 121.448 120.500 -0.291 0.000 2.298 26 R HA 0.313 4.653 4.340 -0.000 0.000 0.310 26 R C 0.915 177.023 176.300 -0.320 0.000 1.068 26 R CA -0.282 55.459 56.100 -0.599 0.000 0.957 26 R CB 0.592 30.602 30.300 -0.484 0.000 1.003 26 R HN 0.158 nan 8.270 nan 0.000 0.454 27 L N 1.884 122.922 121.223 -0.309 0.000 2.394 27 L HA 0.114 4.454 4.340 -0.000 0.000 0.229 27 L C 0.802 177.619 176.870 -0.089 0.000 1.225 27 L CA -0.078 54.686 54.840 -0.127 0.000 0.829 27 L CB 0.163 42.188 42.059 -0.056 0.000 1.195 27 L HN 0.622 nan 8.230 nan 0.000 0.548 28 A N 0.214 123.030 122.820 -0.007 0.000 2.304 28 A HA 0.650 4.970 4.320 -0.000 0.000 0.301 28 A C -0.027 177.601 177.584 0.073 0.000 1.132 28 A CA -0.319 51.728 52.037 0.017 0.000 0.819 28 A CB 0.712 19.737 19.000 0.042 0.000 1.094 28 A HN 0.720 nan 8.150 nan 0.000 0.492 29 A N 1.312 124.129 122.820 -0.006 0.000 2.445 29 A HA 0.588 4.908 4.320 -0.000 0.000 0.242 29 A C 0.123 177.699 177.584 -0.015 0.000 1.075 29 A CA 0.721 52.707 52.037 -0.084 0.000 0.777 29 A CB -0.347 18.584 19.000 -0.115 0.000 1.013 29 A HN 1.775 nan 8.150 nan 0.000 0.493 30 H N -1.292 117.651 119.070 -0.211 0.000 2.987 30 H HA 0.628 5.184 4.556 -0.000 0.000 0.316 30 H C -3.292 171.783 175.328 -0.422 0.000 1.380 30 H CA -1.882 53.987 56.048 -0.298 0.000 1.160 30 H CB 0.241 29.753 29.762 -0.417 0.000 1.865 30 H HN 0.401 nan 8.280 nan 0.000 0.521 31 P HA 0.110 nan 4.420 nan 0.000 0.272 31 P C -2.534 174.556 177.300 -0.350 0.000 1.248 31 P CA -1.295 61.620 63.100 -0.308 0.000 0.799 31 P CB -0.507 30.983 31.700 -0.349 0.000 0.997 32 P HA 0.183 nan 4.420 nan 0.000 0.276 32 P C -0.887 176.555 177.300 0.238 0.000 1.264 32 P CA 0.465 63.549 63.100 -0.028 0.000 0.769 32 P CB -0.149 31.586 31.700 0.058 0.000 0.840 33 F N 1.927 122.010 119.950 0.222 0.000 2.432 33 F HA 0.587 5.114 4.527 -0.000 0.000 0.329 33 F C 1.307 177.053 175.800 -0.090 0.000 1.076 33 F CA -1.353 56.711 58.000 0.107 0.000 1.018 33 F CB 0.939 39.986 39.000 0.079 0.000 1.201 33 F HN 0.345 nan 8.300 nan 0.000 0.489 34 A N 0.269 123.031 122.820 -0.097 0.000 2.009 34 A HA 0.356 4.676 4.320 -0.000 0.000 0.197 34 A C 0.720 178.061 177.584 -0.406 0.000 1.471 34 A CA 0.709 52.455 52.037 -0.485 0.000 0.973 34 A CB -0.268 17.886 19.000 -1.412 0.000 1.020 34 A HN 0.868 nan 8.150 nan 0.000 0.476 35 S N -0.569 114.954 115.700 -0.295 0.000 4.044 35 S HA -0.104 4.366 4.470 -0.000 0.000 0.371 35 S C -0.647 173.902 174.600 -0.085 0.000 0.977 35 S CA 0.139 58.243 58.200 -0.159 0.000 1.092 35 S CB -1.774 61.345 63.200 -0.134 0.000 0.845 35 S HN 0.480 nan 8.310 nan 0.000 0.496 36 W N 2.940 124.251 121.300 0.019 0.000 2.303 36 W HA 0.298 4.958 4.660 -0.000 0.000 0.318 36 W C 1.096 177.624 176.519 0.016 0.000 1.362 36 W CA -0.572 56.790 57.345 0.029 0.000 1.234 36 W CB 0.337 29.812 29.460 0.026 0.000 1.248 36 W HN 0.313 nan 8.180 nan 0.000 0.546 37 R N 3.162 123.818 120.500 0.259 0.000 2.978 37 R HA 0.064 4.404 4.340 -0.000 0.000 0.298 37 R C -0.068 176.321 176.300 0.148 0.000 1.296 37 R CA -0.160 56.039 56.100 0.165 0.000 1.181 37 R CB -0.637 29.738 30.300 0.126 0.000 1.348 37 R HN 0.327 nan 8.270 nan 0.000 0.585 38 N N 0.079 118.874 118.700 0.158 0.000 2.905 38 N HA -0.065 4.675 4.740 -0.000 0.000 0.255 38 N C 0.455 175.956 175.510 -0.014 0.000 1.199 38 N CA 0.071 53.161 53.050 0.066 0.000 0.911 38 N CB 1.249 39.772 38.487 0.060 0.000 1.550 38 N HN -0.049 nan 8.380 nan 0.000 0.599 39 S N 2.667 118.352 115.700 -0.024 0.000 2.435 39 S HA -0.271 4.199 4.470 -0.000 0.000 0.250 39 S C 1.349 175.842 174.600 -0.179 0.000 1.065 39 S CA 2.298 60.454 58.200 -0.074 0.000 1.243 39 S CB -0.420 62.767 63.200 -0.021 0.000 1.158 39 S HN 0.689 nan 8.310 nan 0.000 0.430 40 E N 0.548 120.657 120.200 -0.152 0.000 2.095 40 E HA -0.277 4.073 4.350 -0.000 0.000 0.212 40 E C 2.133 178.559 176.600 -0.291 0.000 1.044 40 E CA 2.113 58.383 56.400 -0.216 0.000 0.857 40 E CB -0.386 29.222 29.700 -0.154 0.000 0.764 40 E HN 0.702 nan 8.360 nan 0.000 0.462 41 E N -0.183 119.870 120.200 -0.245 0.000 2.012 41 E HA -0.299 4.051 4.350 -0.000 0.000 0.211 41 E C 2.079 178.214 176.600 -0.776 0.000 1.029 41 E CA 1.168 57.375 56.400 -0.321 0.000 0.867 41 E CB -0.333 29.295 29.700 -0.119 0.000 0.790 41 E HN 0.340 nan 8.360 nan 0.000 0.482 42 A N 1.285 123.289 122.820 -1.360 0.000 1.985 42 A HA -0.362 3.958 4.320 -0.000 0.000 0.223 42 A C 2.078 179.031 177.584 -1.052 0.000 1.189 42 A CA 2.402 53.170 52.037 -2.115 0.000 0.658 42 A CB -0.832 17.492 19.000 -1.125 0.000 0.820 42 A HN 0.261 nan 8.150 nan 0.000 0.464 43 R N -0.266 119.864 120.500 -0.616 0.000 2.082 43 R HA -0.127 4.213 4.340 -0.000 0.000 0.234 43 R C 1.591 177.645 176.300 -0.410 0.000 1.136 43 R CA 2.051 57.864 56.100 -0.479 0.000 0.935 43 R CB -0.651 29.313 30.300 -0.561 0.000 0.842 43 R HN 0.561 nan 8.270 nan 0.000 0.430 44 T N -0.840 113.491 114.554 -0.373 0.000 3.467 44 T HA 0.052 4.402 4.350 -0.000 0.000 0.232 44 T C 0.116 174.710 174.700 -0.176 0.000 0.876 44 T CA 0.104 62.058 62.100 -0.243 0.000 0.939 44 T CB -0.057 68.688 68.868 -0.203 0.000 1.165 44 T HN 0.330 nan 8.240 nan 0.000 0.615 45 D N 1.902 122.176 120.400 -0.210 0.000 2.818 45 D HA -0.205 4.435 4.640 -0.000 0.000 0.222 45 D C 0.779 177.158 176.300 0.131 0.000 1.182 45 D CA 0.600 54.580 54.000 -0.034 0.000 0.612 45 D CB -0.385 40.470 40.800 0.091 0.000 1.040 45 D HN 0.670 nan 8.370 nan 0.000 0.412 46 R N -0.304 120.226 120.500 0.051 0.000 3.160 46 R HA 0.288 4.628 4.340 -0.000 0.000 0.266 46 R C -2.026 174.536 176.300 0.435 0.000 1.167 46 R CA -0.584 55.632 56.100 0.193 0.000 1.124 46 R CB -0.566 29.796 30.300 0.103 0.000 1.034 46 R HN 0.159 nan 8.270 nan 0.000 0.536 47 P HA 0.112 nan 4.420 nan 0.000 0.294 47 P C -0.910 176.549 177.300 0.265 0.000 1.413 47 P CA -0.515 62.765 63.100 0.300 0.000 0.982 47 P CB 1.653 33.460 31.700 0.179 0.000 1.035 48 S N 3.121 118.898 115.700 0.128 0.000 2.525 48 S HA -0.017 4.453 4.470 -0.000 0.000 0.285 48 S C 1.303 175.927 174.600 0.039 0.000 1.283 48 S CA -0.019 58.152 58.200 -0.048 0.000 1.072 48 S CB 0.210 63.035 63.200 -0.625 0.000 0.867 48 S HN 0.319 nan 8.310 nan 0.000 0.492 49 Q N 3.099 122.970 119.800 0.118 0.000 2.364 49 Q HA -0.143 4.197 4.340 -0.000 0.000 0.207 49 Q C 1.372 177.523 176.000 0.251 0.000 0.970 49 Q CA 0.979 56.877 55.803 0.159 0.000 0.888 49 Q CB -0.230 28.604 28.738 0.160 0.000 0.951 49 Q HN 0.745 nan 8.270 nan 0.000 0.469 50 Q N 0.187 120.089 119.800 0.170 0.000 2.369 50 Q HA 0.014 4.354 4.340 -0.000 0.000 0.206 50 Q C -0.033 176.074 176.000 0.177 0.000 0.963 50 Q CA 0.541 56.444 55.803 0.166 0.000 0.894 50 Q CB 0.196 28.932 28.738 -0.003 0.000 0.965 50 Q HN 0.142 nan 8.270 nan 0.000 0.475 51 L N 0.818 122.118 121.223 0.128 0.000 2.272 51 L HA 0.402 4.742 4.340 -0.000 0.000 0.289 51 L C -0.953 176.018 176.870 0.168 0.000 1.032 51 L CA -0.141 54.765 54.840 0.110 0.000 0.810 51 L CB 1.091 43.145 42.059 -0.007 0.000 1.205 51 L HN -0.096 nan 8.230 nan 0.000 0.422 52 R N 2.886 123.504 120.500 0.195 0.000 2.532 52 R HA 0.381 4.721 4.340 -0.000 0.000 0.297 52 R C -0.844 175.506 176.300 0.084 0.000 0.984 52 R CA -0.479 55.709 56.100 0.147 0.000 0.884 52 R CB 2.144 32.553 30.300 0.182 0.000 1.182 52 R HN 0.732 nan 8.270 nan 0.000 0.442 53 S N 2.433 118.169 115.700 0.060 0.000 2.592 53 S HA 0.303 4.773 4.470 -0.000 0.000 0.271 53 S C 1.004 175.632 174.600 0.046 0.000 1.326 53 S CA -0.289 57.940 58.200 0.049 0.000 1.024 53 S CB 0.530 63.764 63.200 0.057 0.000 0.921 53 S HN 0.570 nan 8.310 nan 0.000 0.527 54 L N 2.639 123.906 121.223 0.073 0.000 3.086 54 L HA 0.269 4.609 4.340 -0.000 0.000 0.274 54 L C 0.025 177.136 176.870 0.402 0.000 1.184 54 L CA -0.234 54.694 54.840 0.146 0.000 1.002 54 L CB -0.083 42.046 42.059 0.117 0.000 1.383 54 L HN 0.488 nan 8.230 nan 0.000 0.582 55 N N 1.671 120.509 118.700 0.230 0.000 2.454 55 N HA 0.406 5.146 4.740 -0.000 0.000 0.254 55 N C 0.654 176.321 175.510 0.262 0.000 1.228 55 N CA 1.147 54.314 53.050 0.196 0.000 0.900 55 N CB 1.357 39.891 38.487 0.079 0.000 1.089 55 N HN 0.331 nan 8.380 nan 0.000 0.449 56 G N 0.955 109.925 108.800 0.283 0.000 2.291 56 G HA2 -0.073 3.887 3.960 -0.000 0.000 0.249 56 G HA3 -0.073 3.887 3.960 -0.000 0.000 0.249 56 G C -1.512 173.620 174.900 0.387 0.000 1.340 56 G CA -0.821 44.440 45.100 0.268 0.000 1.017 56 G HN 0.469 nan 8.290 nan 0.000 0.470 57 E N -0.240 120.140 120.200 0.300 0.000 2.316 57 E HA 0.494 4.844 4.350 -0.000 0.000 0.275 57 E C -0.944 175.903 176.600 0.412 0.000 1.029 57 E CA 0.134 56.716 56.400 0.302 0.000 0.871 57 E CB 0.916 30.718 29.700 0.170 0.000 1.022 57 E HN 0.403 nan 8.360 nan 0.000 0.418 58 W N 1.178 122.564 121.300 0.144 0.000 3.017 58 W HA 0.427 5.087 4.660 -0.000 0.000 0.341 58 W C -0.341 176.293 176.519 0.192 0.000 1.180 58 W CA -0.745 56.716 57.345 0.193 0.000 1.097 58 W CB 1.211 30.837 29.460 0.277 0.000 1.468 58 W HN 0.202 nan 8.180 nan 0.000 0.584 59 R N 1.953 122.718 120.500 0.442 0.000 2.320 59 R HA 0.375 4.715 4.340 -0.000 0.000 0.319 59 R C -1.063 175.406 176.300 0.281 0.000 0.969 59 R CA -0.696 55.587 56.100 0.305 0.000 0.857 59 R CB 1.045 31.467 30.300 0.204 0.000 1.160 59 R HN 0.280 nan 8.270 nan 0.000 0.491 60 F N 1.813 121.764 119.950 0.000 0.000 2.380 60 F HA 0.649 5.176 4.527 -0.000 0.000 0.321 60 F C -0.456 175.206 175.800 -0.229 0.000 1.103 60 F CA -0.517 57.335 58.000 -0.247 0.000 1.067 60 F CB 1.529 40.287 39.000 -0.404 0.000 1.265 60 F HN 0.554 nan 8.300 nan 0.000 0.517 61 A N 4.024 125.892 122.820 -1.587 0.000 2.498 61 A HA 0.262 4.582 4.320 -0.000 0.000 0.305 61 A C -1.953 174.976 177.584 -1.092 0.000 1.031 61 A CA -0.604 50.846 52.037 -0.979 0.000 0.998 61 A CB -0.731 18.037 19.000 -0.386 0.000 1.429 61 A HN 0.915 nan 8.150 nan 0.000 0.387 62 W N 2.994 123.618 121.300 -1.126 0.000 2.251 62 W HA 0.724 5.384 4.660 -0.000 0.000 0.329 62 W C -1.284 174.754 176.519 -0.801 0.000 1.234 62 W CA 0.371 57.217 57.345 -0.831 0.000 1.228 62 W CB 0.690 29.883 29.460 -0.444 0.000 1.135 62 W HN 0.496 nan 8.180 nan 0.000 0.576 63 F N 5.416 124.767 119.950 -0.998 0.000 2.608 63 F HA 0.266 4.793 4.527 -0.000 0.000 0.309 63 F C -1.417 173.617 175.800 -1.276 0.000 1.103 63 F CA -2.253 55.290 58.000 -0.762 0.000 0.954 63 F CB 1.292 39.980 39.000 -0.520 0.000 1.267 63 F HN 0.149 nan 8.300 nan 0.000 0.444 64 P HA -0.075 nan 4.420 nan 0.000 0.213 64 P C -0.120 177.051 177.300 -0.214 0.000 1.170 64 P CA 1.577 64.524 63.100 -0.254 0.000 0.898 64 P CB 0.325 32.081 31.700 0.092 0.000 0.787 65 A N -1.636 121.113 122.820 -0.119 0.000 2.401 65 A HA 0.569 4.889 4.320 -0.000 0.000 0.310 65 A C -2.043 175.450 177.584 -0.152 0.000 1.075 65 A CA -1.695 50.279 52.037 -0.105 0.000 0.746 65 A CB 0.959 19.953 19.000 -0.010 0.000 1.277 65 A HN -0.126 nan 8.150 nan 0.000 0.425 66 P HA -0.195 nan 4.420 nan 0.000 0.215 66 P C 0.899 178.118 177.300 -0.135 0.000 1.153 66 P CA 1.547 64.506 63.100 -0.235 0.000 0.853 66 P CB 0.052 31.567 31.700 -0.308 0.000 0.788 67 E N 0.219 120.394 120.200 -0.041 0.000 2.333 67 E HA -0.162 4.188 4.350 -0.000 0.000 0.200 67 E C 1.774 178.357 176.600 -0.029 0.000 1.010 67 E CA 1.419 57.824 56.400 0.007 0.000 0.841 67 E CB -0.912 28.819 29.700 0.052 0.000 0.757 67 E HN 0.278 nan 8.360 nan 0.000 0.508 68 A N 1.525 124.310 122.820 -0.058 0.000 2.169 68 A HA 0.118 4.438 4.320 -0.000 0.000 0.212 68 A C 1.274 178.765 177.584 -0.155 0.000 1.153 68 A CA -0.115 51.912 52.037 -0.016 0.000 0.756 68 A CB 0.063 19.130 19.000 0.111 0.000 0.813 68 A HN 0.061 nan 8.150 nan 0.000 0.471 69 V N 2.092 121.762 119.914 -0.406 0.000 2.585 69 V HA 0.174 4.294 4.120 -0.000 0.000 0.296 69 V C -2.380 173.566 176.094 -0.247 0.000 1.035 69 V CA -1.094 60.820 62.300 -0.645 0.000 1.084 69 V CB 0.342 31.759 31.823 -0.677 0.000 0.953 69 V HN 0.252 nan 8.190 nan 0.000 0.483 70 P HA 0.328 nan 4.420 nan 0.000 0.292 70 P C 0.547 177.838 177.300 -0.015 0.000 1.287 70 P CA -0.511 62.568 63.100 -0.036 0.000 0.800 70 P CB 1.174 32.892 31.700 0.031 0.000 0.945 71 E N 1.384 121.564 120.200 -0.033 0.000 2.233 71 E HA -0.213 4.137 4.350 -0.000 0.000 0.199 71 E C 1.521 178.072 176.600 -0.082 0.000 1.004 71 E CA 1.940 58.300 56.400 -0.066 0.000 0.819 71 E CB -0.178 29.490 29.700 -0.054 0.000 0.738 71 E HN 0.443 nan 8.360 nan 0.000 0.478 72 S N -0.187 115.494 115.700 -0.030 0.000 2.383 72 S HA -0.232 4.238 4.470 -0.000 0.000 0.229 72 S C 1.558 176.132 174.600 -0.043 0.000 1.030 72 S CA 1.047 59.233 58.200 -0.025 0.000 1.002 72 S CB -0.840 62.374 63.200 0.024 0.000 0.829 72 S HN 0.563 nan 8.310 nan 0.000 0.467 73 W N 2.642 123.849 121.300 -0.154 0.000 2.313 73 W HA -0.118 4.542 4.660 -0.000 0.000 0.293 73 W C 1.603 177.997 176.519 -0.210 0.000 1.216 73 W CA 0.880 58.120 57.345 -0.175 0.000 1.223 73 W CB -0.615 28.705 29.460 -0.234 0.000 1.138 73 W HN 0.263 nan 8.180 nan 0.000 0.535 74 L N -0.033 120.817 121.223 -0.623 0.000 2.093 74 L HA -0.172 4.168 4.340 -0.000 0.000 0.208 74 L C 2.545 179.110 176.870 -0.508 0.000 1.085 74 L CA 1.508 55.873 54.840 -0.791 0.000 0.755 74 L CB -0.579 41.093 42.059 -0.646 0.000 0.904 74 L HN -0.015 nan 8.230 nan 0.000 0.435 75 E N -1.346 118.667 120.200 -0.312 0.000 2.152 75 E HA 0.074 4.424 4.350 -0.000 0.000 0.195 75 E C 0.453 176.964 176.600 -0.148 0.000 0.934 75 E CA 0.338 56.623 56.400 -0.193 0.000 0.869 75 E CB 0.283 29.914 29.700 -0.116 0.000 0.842 75 E HN 0.337 nan 8.360 nan 0.000 0.472 76 C N 1.958 121.194 119.300 -0.107 0.000 2.454 76 C HA 0.381 4.841 4.460 -0.000 0.000 0.336 76 C C 0.584 175.582 174.990 0.014 0.000 1.189 76 C CA -1.099 57.896 59.018 -0.039 0.000 1.877 76 C CB 1.455 29.191 27.740 -0.008 0.000 2.348 76 C HN 0.293 nan 8.230 nan 0.000 0.508 77 D N 0.385 120.818 120.400 0.056 0.000 2.384 77 D HA 0.311 4.951 4.640 -0.000 0.000 0.244 77 D C -0.486 175.903 176.300 0.148 0.000 1.251 77 D CA 0.249 54.332 54.000 0.139 0.000 0.961 77 D CB 0.603 41.471 40.800 0.113 0.000 1.116 77 D HN 0.356 nan 8.370 nan 0.000 0.484 78 L N 1.741 123.064 121.223 0.165 0.000 2.322 78 L HA 0.219 4.559 4.340 -0.000 0.000 0.279 78 L C -1.213 175.704 176.870 0.079 0.000 1.036 78 L CA -1.680 53.233 54.840 0.121 0.000 0.807 78 L CB 1.612 43.747 42.059 0.128 0.000 1.226 78 L HN 0.252 nan 8.230 nan 0.000 0.433 79 P HA -0.178 nan 4.420 nan 0.000 0.215 79 P C 0.934 178.257 177.300 0.037 0.000 1.157 79 P CA 1.333 64.459 63.100 0.044 0.000 0.868 79 P CB 0.221 31.942 31.700 0.035 0.000 0.788 80 E N 0.430 120.648 120.200 0.031 0.000 2.150 80 E HA 0.059 4.409 4.350 -0.000 0.000 0.193 80 E C 1.167 177.778 176.600 0.018 0.000 0.985 80 E CA 0.421 56.829 56.400 0.013 0.000 0.814 80 E CB -0.875 28.818 29.700 -0.012 0.000 0.752 80 E HN 0.174 nan 8.360 nan 0.000 0.466 81 A N 1.964 124.801 122.820 0.028 0.000 2.536 81 A HA 0.010 4.330 4.320 -0.000 0.000 0.234 81 A C -0.138 177.493 177.584 0.079 0.000 1.076 81 A CA 0.213 52.272 52.037 0.036 0.000 0.769 81 A CB 0.192 19.220 19.000 0.046 0.000 1.020 81 A HN 0.144 nan 8.150 nan 0.000 0.508 82 D N 0.651 121.125 120.400 0.123 0.000 2.498 82 D HA 0.366 5.006 4.640 -0.000 0.000 0.247 82 D C -0.583 175.816 176.300 0.166 0.000 1.070 82 D CA -0.261 53.825 54.000 0.144 0.000 0.842 82 D CB 1.352 42.263 40.800 0.185 0.000 1.361 82 D HN 0.450 nan 8.370 nan 0.000 0.484 83 T N 0.875 115.508 114.554 0.132 0.000 2.930 83 T HA 0.337 4.687 4.350 -0.000 0.000 0.306 83 T C 0.300 175.081 174.700 0.136 0.000 1.045 83 T CA -0.114 62.073 62.100 0.146 0.000 1.134 83 T CB 0.828 69.761 68.868 0.109 0.000 0.961 83 T HN 0.121 nan 8.240 nan 0.000 0.545 84 V N 2.442 122.462 119.914 0.178 0.000 3.188 84 V HA 0.446 4.566 4.120 -0.000 0.000 0.305 84 V C -0.402 175.799 176.094 0.178 0.000 1.232 84 V CA -0.926 61.447 62.300 0.123 0.000 1.043 84 V CB 2.553 34.451 31.823 0.125 0.000 1.068 84 V HN 0.660 nan 8.190 nan 0.000 0.439 85 V N 2.252 122.245 119.914 0.131 0.000 2.539 85 V HA 0.586 4.706 4.120 -0.000 0.000 0.292 85 V C -0.376 175.787 176.094 0.115 0.000 1.045 85 V CA -0.409 61.973 62.300 0.138 0.000 0.945 85 V CB 1.804 33.675 31.823 0.080 0.000 0.993 85 V HN 0.576 nan 8.190 nan 0.000 0.464 86 V N 6.478 126.398 119.914 0.011 0.000 2.604 86 V HA 0.503 4.623 4.120 -0.000 0.000 0.305 86 V C -2.393 173.627 176.094 -0.124 0.000 1.043 86 V CA -1.720 60.474 62.300 -0.176 0.000 0.888 86 V CB 2.396 33.810 31.823 -0.682 0.000 0.995 86 V HN 0.778 nan 8.190 nan 0.000 0.429 87 P HA 0.498 nan 4.420 nan 0.000 0.292 87 P C -0.985 176.281 177.300 -0.057 0.000 1.283 87 P CA -0.322 62.705 63.100 -0.121 0.000 0.835 87 P CB 1.713 33.352 31.700 -0.103 0.000 1.017 88 S N 1.214 116.895 115.700 -0.032 0.000 2.607 88 S HA 0.473 4.943 4.470 -0.000 0.000 0.273 88 S C -1.062 173.477 174.600 -0.101 0.000 1.148 88 S CA -0.931 57.220 58.200 -0.081 0.000 0.833 88 S CB 0.905 64.082 63.200 -0.039 0.000 1.130 88 S HN 0.339 nan 8.310 nan 0.000 0.470 89 N N 1.220 119.784 118.700 -0.226 0.000 2.437 89 N HA 0.335 5.075 4.740 -0.000 0.000 0.259 89 N C 0.693 176.025 175.510 -0.296 0.000 0.983 89 N CA -0.799 52.106 53.050 -0.241 0.000 0.937 89 N CB 0.648 38.978 38.487 -0.261 0.000 1.122 89 N HN 0.850 nan 8.380 nan 0.000 0.499 90 W N 3.529 124.693 121.300 -0.227 0.000 2.313 90 W HA -0.255 4.405 4.660 -0.000 0.000 0.293 90 W C 1.088 177.566 176.519 -0.070 0.000 1.216 90 W CA 1.244 58.450 57.345 -0.230 0.000 1.223 90 W CB -0.447 28.840 29.460 -0.289 0.000 1.138 90 W HN 0.550 nan 8.180 nan 0.000 0.535 91 Q N -0.040 119.753 119.800 -0.012 0.000 2.167 91 Q HA -0.127 4.213 4.340 -0.000 0.000 0.202 91 Q C 2.159 178.132 176.000 -0.045 0.000 0.970 91 Q CA 1.912 57.723 55.803 0.012 0.000 0.855 91 Q CB -0.585 28.057 28.738 -0.160 0.000 0.911 91 Q HN 0.205 nan 8.270 nan 0.000 0.438 92 M N -0.519 118.992 119.600 -0.149 0.000 2.700 92 M HA -0.065 4.415 4.480 -0.000 0.000 0.249 92 M C 0.315 176.649 176.300 0.057 0.000 1.082 92 M CA 1.395 56.625 55.300 -0.117 0.000 1.077 92 M CB -0.623 31.866 32.600 -0.185 0.000 1.477 92 M HN 0.347 nan 8.290 nan 0.000 0.529 93 H N -1.869 117.256 119.070 0.092 0.000 2.784 93 H HA 0.386 4.942 4.556 -0.000 0.000 0.273 93 H C 1.363 176.676 175.328 -0.024 0.000 1.112 93 H CA 0.087 56.188 56.048 0.088 0.000 1.162 93 H CB 0.643 30.517 29.762 0.186 0.000 1.586 93 H HN 0.474 nan 8.280 nan 0.000 0.548 94 G N 0.629 109.485 108.800 0.093 0.000 2.217 94 G HA2 -0.401 3.559 3.960 -0.000 0.000 0.246 94 G HA3 -0.401 3.559 3.960 -0.000 0.000 0.246 94 G C 0.596 175.381 174.900 -0.192 0.000 0.990 94 G CA 0.417 45.471 45.100 -0.077 0.000 0.627 94 G HN 0.431 nan 8.290 nan 0.000 0.522 95 Y N 2.081 122.358 120.300 -0.039 0.000 2.207 95 Y HA 0.216 4.766 4.550 -0.000 0.000 0.287 95 Y C 1.692 177.308 175.900 -0.473 0.000 1.156 95 Y CA 1.761 59.658 58.100 -0.339 0.000 1.182 95 Y CB -0.033 38.256 38.460 -0.284 0.000 0.979 95 Y HN 0.689 nan 8.280 nan 0.000 0.521 96 D N -2.346 118.147 120.400 0.155 0.000 2.639 96 D HA 0.504 5.144 4.640 -0.000 0.000 0.271 96 D C -1.259 175.158 176.300 0.194 0.000 1.254 96 D CA -0.823 53.296 54.000 0.198 0.000 0.810 96 D CB 0.803 41.885 40.800 0.469 0.000 1.351 96 D HN -0.004 nan 8.370 nan 0.000 0.427 97 A N 0.554 123.487 122.820 0.188 0.000 2.320 97 A HA 0.629 4.949 4.320 -0.000 0.000 0.287 97 A C -2.239 175.408 177.584 0.104 0.000 1.181 97 A CA -1.130 50.995 52.037 0.148 0.000 0.831 97 A CB -0.182 18.949 19.000 0.218 0.000 1.102 97 A HN 0.518 nan 8.150 nan 0.000 0.513 98 P HA 0.269 nan 4.420 nan 0.000 0.269 98 P C -0.706 176.742 177.300 0.247 0.000 1.209 98 P CA 0.356 63.425 63.100 -0.051 0.000 0.776 98 P CB 0.555 31.962 31.700 -0.489 0.000 0.876 99 I N 2.506 123.286 120.570 0.351 0.000 2.474 99 I HA 0.298 4.468 4.170 -0.000 0.000 0.294 99 I C -0.550 175.726 176.117 0.265 0.000 1.005 99 I CA -0.931 60.568 61.300 0.331 0.000 1.113 99 I CB 1.706 39.855 38.000 0.249 0.000 1.289 99 I HN 0.316 nan 8.210 nan 0.000 0.436 100 Y N 6.142 126.400 120.300 -0.071 0.000 2.447 100 Y HA 0.495 5.045 4.550 -0.000 0.000 0.325 100 Y C -0.627 175.118 175.900 -0.258 0.000 0.976 100 Y CA -0.355 57.477 58.100 -0.446 0.000 1.280 100 Y CB 0.933 38.631 38.460 -1.270 0.000 1.104 100 Y HN 0.602 nan 8.280 nan 0.000 0.486 101 T N 2.476 116.488 114.554 -0.902 0.000 2.926 101 T HA 0.352 4.702 4.350 -0.000 0.000 0.289 101 T C -0.015 174.042 174.700 -1.073 0.000 1.054 101 T CA -0.930 60.688 62.100 -0.803 0.000 1.015 101 T CB 2.301 70.918 68.868 -0.419 0.000 1.167 101 T HN 0.694 nan 8.240 nan 0.000 0.526 102 N N -0.530 117.714 118.700 -0.759 0.000 2.333 102 N HA 0.118 4.858 4.740 -0.000 0.000 0.234 102 N C 1.650 176.837 175.510 -0.539 0.000 1.035 102 N CA 0.098 52.784 53.050 -0.607 0.000 1.171 102 N CB 0.045 38.201 38.487 -0.552 0.000 1.503 102 N HN 0.295 nan 8.380 nan 0.000 0.624 103 V N 0.678 120.221 119.914 -0.618 0.000 2.283 103 V HA -0.053 4.067 4.120 -0.000 0.000 0.243 103 V C 0.506 176.282 176.094 -0.530 0.000 1.039 103 V CA 1.166 63.038 62.300 -0.713 0.000 1.016 103 V CB -0.703 30.637 31.823 -0.805 0.000 0.650 103 V HN 0.450 nan 8.190 nan 0.000 0.449 104 T N 1.004 115.313 114.554 -0.407 0.000 2.792 104 T HA 0.088 4.438 4.350 -0.000 0.000 0.286 104 T C -0.341 174.212 174.700 -0.245 0.000 0.970 104 T CA 0.206 62.137 62.100 -0.282 0.000 1.187 104 T CB -0.461 68.288 68.868 -0.199 0.000 0.915 104 T HN 0.186 nan 8.240 nan 0.000 0.529 105 Y N 5.161 125.346 120.300 -0.192 0.000 2.702 105 Y HA 0.115 4.665 4.550 -0.000 0.000 0.336 105 Y C -1.015 174.736 175.900 -0.249 0.000 1.235 105 Y CA -1.630 56.337 58.100 -0.222 0.000 1.492 105 Y CB 0.303 38.619 38.460 -0.239 0.000 1.308 105 Y HN 0.505 nan 8.280 nan 0.000 0.589 106 P HA 0.113 nan 4.420 nan 0.000 0.255 106 P C -0.662 176.401 177.300 -0.396 0.000 1.357 106 P CA 0.711 63.686 63.100 -0.210 0.000 0.839 106 P CB -0.243 31.346 31.700 -0.184 0.000 1.356 107 I N -5.842 114.489 120.570 -0.399 0.000 2.827 107 I HA 0.417 4.587 4.170 -0.000 0.000 0.298 107 I C -0.783 175.169 176.117 -0.275 0.000 1.235 107 I CA -1.137 59.883 61.300 -0.467 0.000 1.021 107 I CB 1.957 39.488 38.000 -0.780 0.000 1.259 107 I HN -0.455 nan 8.210 nan 0.000 0.427 108 T N 3.070 117.524 114.554 -0.167 0.000 2.933 108 T HA 0.093 4.443 4.350 -0.000 0.000 0.306 108 T C 0.190 174.844 174.700 -0.076 0.000 1.045 108 T CA -0.048 62.007 62.100 -0.076 0.000 1.143 108 T CB 0.726 69.583 68.868 -0.019 0.000 1.003 108 T HN 0.390 nan 8.240 nan 0.000 0.540 109 V N 4.608 124.506 119.914 -0.026 0.000 2.322 109 V HA 0.248 4.368 4.120 -0.000 0.000 0.258 109 V C 0.594 176.756 176.094 0.112 0.000 1.074 109 V CA -0.168 62.147 62.300 0.026 0.000 0.909 109 V CB 0.291 32.119 31.823 0.008 0.000 1.090 109 V HN 0.831 nan 8.190 nan 0.000 0.486 110 N N 5.773 124.609 118.700 0.227 0.000 2.636 110 N HA 0.290 5.030 4.740 -0.000 0.000 0.287 110 N C -2.934 172.678 175.510 0.170 0.000 1.817 110 N CA -1.469 51.707 53.050 0.210 0.000 0.842 110 N CB 1.227 39.868 38.487 0.257 0.000 1.353 110 N HN 0.252 nan 8.380 nan 0.000 0.500 111 P HA 0.049 nan 4.420 nan 0.000 0.263 111 P C -2.049 175.010 177.300 -0.402 0.000 1.175 111 P CA -0.558 62.128 63.100 -0.690 0.000 0.761 111 P CB 0.357 31.562 31.700 -0.825 0.000 0.794 112 P HA 0.101 nan 4.420 nan 0.000 0.257 112 P C -0.253 176.911 177.300 -0.227 0.000 1.281 112 P CA -0.005 62.848 63.100 -0.411 0.000 0.826 112 P CB 0.079 31.520 31.700 -0.432 0.000 1.237 113 F N -0.082 119.954 119.950 0.144 0.000 2.450 113 F HA 0.260 4.787 4.527 -0.000 0.000 0.339 113 F C 1.246 177.230 175.800 0.307 0.000 1.146 113 F CA -0.329 57.796 58.000 0.208 0.000 1.267 113 F CB 0.034 39.113 39.000 0.132 0.000 1.178 113 F HN -0.271 nan 8.300 nan 0.000 0.585 114 V N 1.580 121.802 119.914 0.514 0.000 3.141 114 V HA 0.511 4.631 4.120 -0.000 0.000 0.312 114 V C -2.215 174.054 176.094 0.293 0.000 1.157 114 V CA -2.241 60.276 62.300 0.360 0.000 1.041 114 V CB 2.529 34.620 31.823 0.447 0.000 1.071 114 V HN 0.549 nan 8.190 nan 0.000 0.441 115 P HA 0.153 nan 4.420 nan 0.000 0.271 115 P C 0.891 178.330 177.300 0.232 0.000 1.226 115 P CA 0.186 63.393 63.100 0.178 0.000 0.765 115 P CB 0.497 32.270 31.700 0.121 0.000 0.835 116 T N 0.454 115.117 114.554 0.181 0.000 2.680 116 T HA -0.243 4.107 4.350 -0.000 0.000 0.268 116 T C 0.389 175.184 174.700 0.158 0.000 1.033 116 T CA 1.265 63.467 62.100 0.170 0.000 1.152 116 T CB -0.873 68.069 68.868 0.123 0.000 0.859 116 T HN 0.357 nan 8.240 nan 0.000 0.452 117 E N 2.615 122.916 120.200 0.170 0.000 2.003 117 E HA 0.407 4.757 4.350 -0.000 0.000 0.279 117 E C -0.423 176.318 176.600 0.236 0.000 1.132 117 E CA -0.257 56.246 56.400 0.173 0.000 0.888 117 E CB 0.127 29.939 29.700 0.186 0.000 1.056 117 E HN 0.316 nan 8.360 nan 0.000 0.399 118 N N 4.132 122.905 118.700 0.121 0.000 2.682 118 N HA 0.198 4.938 4.740 -0.000 0.000 0.252 118 N C -2.687 172.749 175.510 -0.123 0.000 1.081 118 N CA -2.324 50.767 53.050 0.069 0.000 0.844 118 N CB 1.136 39.628 38.487 0.009 0.000 1.167 118 N HN 0.082 nan 8.380 nan 0.000 0.523 119 P HA -0.029 nan 4.420 nan 0.000 0.253 119 P C -0.308 176.780 177.300 -0.354 0.000 1.170 119 P CA 0.478 63.383 63.100 -0.324 0.000 0.806 119 P CB -0.157 31.655 31.700 0.187 0.000 0.775 120 T N 2.846 117.035 114.554 -0.609 0.000 2.909 120 T HA 0.529 4.879 4.350 -0.000 0.000 0.289 120 T C 0.816 175.059 174.700 -0.762 0.000 1.005 120 T CA -0.121 61.699 62.100 -0.466 0.000 1.084 120 T CB 1.020 69.639 68.868 -0.414 0.000 0.975 120 T HN 0.370 nan 8.240 nan 0.000 0.509 121 G N 1.196 109.702 108.800 -0.490 0.000 3.164 121 G HA2 0.425 4.385 3.960 -0.000 0.000 0.312 121 G HA3 0.425 4.385 3.960 -0.000 0.000 0.312 121 G C -0.139 174.587 174.900 -0.291 0.000 1.530 121 G CA -0.522 44.194 45.100 -0.640 0.000 1.079 121 G HN 0.907 nan 8.290 nan 0.000 0.527 122 C N 3.122 122.019 119.300 -0.672 0.000 2.492 122 C HA 0.372 4.832 4.460 -0.000 0.000 0.362 122 C C 0.311 175.064 174.990 -0.396 0.000 1.207 122 C CA -1.064 57.501 59.018 -0.754 0.000 1.626 122 C CB -2.253 24.461 27.740 -1.709 0.000 2.239 122 C HN 0.577 nan 8.230 nan 0.000 0.547 123 Y N 1.725 122.063 120.300 0.064 0.000 2.436 123 Y HA 0.658 5.208 4.550 -0.000 0.000 0.336 123 Y C 0.932 177.215 175.900 0.637 0.000 1.318 123 Y CA -0.318 58.036 58.100 0.423 0.000 1.493 123 Y CB 0.558 39.348 38.460 0.551 0.000 1.547 123 Y HN 0.704 nan 8.280 nan 0.000 0.549 124 S N 0.400 116.615 115.700 0.858 0.000 2.714 124 S HA 0.471 4.941 4.470 -0.000 0.000 0.297 124 S C -2.261 172.406 174.600 0.112 0.000 0.993 124 S CA -0.931 57.575 58.200 0.511 0.000 0.844 124 S CB 0.402 63.902 63.200 0.501 0.000 1.043 124 S HN 1.017 nan 8.310 nan 0.000 0.457 125 L N 1.839 122.954 121.223 -0.181 0.000 2.661 125 L HA 0.650 4.990 4.340 -0.000 0.000 0.263 125 L C -0.613 176.184 176.870 -0.122 0.000 0.956 125 L CA 0.084 54.633 54.840 -0.484 0.000 0.918 125 L CB 1.906 42.973 42.059 -1.653 0.000 1.280 125 L HN 0.780 nan 8.230 nan 0.000 0.416 126 T N 6.177 120.722 114.554 -0.016 0.000 2.751 126 T HA 0.519 4.869 4.350 -0.000 0.000 0.290 126 T C -0.423 174.375 174.700 0.163 0.000 0.919 126 T CA 0.550 62.700 62.100 0.082 0.000 1.136 126 T CB -0.488 68.386 68.868 0.011 0.000 0.875 126 T HN 0.461 nan 8.240 nan 0.000 0.532 127 F N 1.679 121.561 119.950 -0.114 0.000 2.675 127 F HA 0.793 5.320 4.527 -0.000 0.000 0.324 127 F C -0.680 175.081 175.800 -0.066 0.000 1.106 127 F CA -2.058 55.884 58.000 -0.096 0.000 0.970 127 F CB 0.919 39.855 39.000 -0.107 0.000 1.385 127 F HN 0.153 nan 8.300 nan 0.000 0.489 128 N N -0.532 118.102 118.700 -0.110 0.000 2.384 128 N HA 0.772 5.512 4.740 -0.000 0.000 0.301 128 N C -1.677 173.755 175.510 -0.131 0.000 1.133 128 N CA -0.613 52.331 53.050 -0.178 0.000 0.853 128 N CB 2.212 40.642 38.487 -0.096 0.000 1.241 128 N HN 0.602 nan 8.380 nan 0.000 0.502 129 V N -0.079 119.735 119.914 -0.166 0.000 2.686 129 V HA 0.336 4.456 4.120 -0.000 0.000 0.306 129 V C -0.419 175.587 176.094 -0.146 0.000 1.065 129 V CA -1.101 61.121 62.300 -0.131 0.000 0.894 129 V CB 1.783 33.592 31.823 -0.025 0.000 1.004 129 V HN 0.611 nan 8.190 nan 0.000 0.424 130 D N 2.544 122.782 120.400 -0.270 0.000 2.400 130 D HA 0.047 4.687 4.640 -0.000 0.000 0.238 130 D C 1.077 177.355 176.300 -0.038 0.000 1.157 130 D CA 0.141 54.015 54.000 -0.211 0.000 0.889 130 D CB 1.689 42.244 40.800 -0.409 0.000 1.199 130 D HN 0.786 nan 8.370 nan 0.000 0.436 131 E N 0.919 121.114 120.200 -0.008 0.000 2.152 131 E HA -0.130 4.220 4.350 -0.000 0.000 0.192 131 E C 1.907 178.567 176.600 0.100 0.000 0.983 131 E CA 0.956 57.383 56.400 0.045 0.000 0.818 131 E CB -0.300 29.415 29.700 0.025 0.000 0.758 131 E HN 0.425 nan 8.360 nan 0.000 0.467 132 S N 0.453 116.208 115.700 0.091 0.000 2.374 132 S HA -0.226 4.244 4.470 -0.000 0.000 0.227 132 S C 1.437 176.185 174.600 0.245 0.000 1.037 132 S CA 1.128 59.413 58.200 0.142 0.000 1.024 132 S CB -0.540 62.734 63.200 0.124 0.000 0.861 132 S HN 0.475 nan 8.310 nan 0.000 0.456 133 W N 1.361 122.587 121.300 -0.123 0.000 2.525 133 W HA 0.267 4.927 4.660 -0.000 0.000 0.259 133 W C 2.033 178.634 176.519 0.137 0.000 1.253 133 W CA -0.072 57.184 57.345 -0.147 0.000 1.262 133 W CB -0.527 28.874 29.460 -0.099 0.000 1.122 133 W HN 0.333 nan 8.180 nan 0.000 0.607 134 L N -0.791 120.609 121.223 0.295 0.000 2.307 134 L HA -0.055 4.285 4.340 -0.000 0.000 0.211 134 L C 2.080 179.038 176.870 0.147 0.000 1.099 134 L CA 0.967 55.927 54.840 0.201 0.000 0.816 134 L CB -0.739 41.404 42.059 0.139 0.000 0.952 134 L HN 0.042 nan 8.230 nan 0.000 0.455 135 Q N -0.136 119.748 119.800 0.140 0.000 2.096 135 Q HA -0.067 4.273 4.340 -0.000 0.000 0.197 135 Q C 0.651 176.710 176.000 0.099 0.000 0.964 135 Q CA 0.960 56.823 55.803 0.100 0.000 0.838 135 Q CB 0.451 29.238 28.738 0.083 0.000 0.906 135 Q HN 0.547 nan 8.270 nan 0.000 0.444 136 E N -1.065 119.222 120.200 0.144 0.000 2.875 136 E HA 0.358 4.708 4.350 -0.000 0.000 0.208 136 E C 0.456 177.097 176.600 0.068 0.000 0.712 136 E CA -0.393 56.074 56.400 0.113 0.000 1.321 136 E CB 0.054 29.822 29.700 0.114 0.000 1.796 136 E HN 0.196 nan 8.360 nan 0.000 0.410 137 G N 0.730 109.503 108.800 -0.045 0.000 2.390 137 G HA2 -0.314 3.646 3.960 -0.000 0.000 1.024 137 G HA3 -0.314 3.646 3.960 -0.000 0.000 1.024 137 G C -0.178 174.507 174.900 -0.357 0.000 1.408 137 G CA 0.484 45.402 45.100 -0.304 0.000 0.850 137 G HN 0.390 nan 8.290 nan 0.000 0.537 138 Q N -1.355 118.144 119.800 -0.501 0.000 2.312 138 Q HA 0.526 4.866 4.340 -0.000 0.000 0.263 138 Q C -1.234 174.547 176.000 -0.365 0.000 0.995 138 Q CA -0.531 55.085 55.803 -0.312 0.000 0.853 138 Q CB 1.527 30.155 28.738 -0.184 0.000 1.300 138 Q HN 0.389 nan 8.270 nan 0.000 0.448 139 T N 5.102 119.585 114.554 -0.118 0.000 2.788 139 T HA 0.388 4.738 4.350 -0.000 0.000 0.296 139 T C -0.646 174.103 174.700 0.081 0.000 1.009 139 T CA -0.622 61.480 62.100 0.003 0.000 0.949 139 T CB 0.416 69.406 68.868 0.204 0.000 0.946 139 T HN 0.568 nan 8.240 nan 0.000 0.453 140 R N 4.012 124.548 120.500 0.060 0.000 2.778 140 R HA 0.642 4.982 4.340 -0.000 0.000 0.277 140 R C -1.114 175.257 176.300 0.118 0.000 0.977 140 R CA -0.825 55.341 56.100 0.110 0.000 0.950 140 R CB 1.537 31.893 30.300 0.092 0.000 1.165 140 R HN 0.575 nan 8.270 nan 0.000 0.474 141 I N 3.627 124.279 120.570 0.138 0.000 2.428 141 I HA 0.382 4.552 4.170 -0.000 0.000 0.296 141 I C -0.858 175.275 176.117 0.028 0.000 0.985 141 I CA -1.219 60.108 61.300 0.044 0.000 1.260 141 I CB 1.132 39.125 38.000 -0.012 0.000 1.389 141 I HN 0.626 nan 8.210 nan 0.000 0.484 142 I N 7.039 127.529 120.570 -0.133 0.000 2.447 142 I HA 0.255 4.425 4.170 -0.000 0.000 0.287 142 I C -1.264 174.701 176.117 -0.252 0.000 1.023 142 I CA -0.381 60.866 61.300 -0.089 0.000 1.083 142 I CB 1.520 39.495 38.000 -0.042 0.000 1.245 142 I HN 0.360 nan 8.210 nan 0.000 0.434 143 F N 4.615 124.592 119.950 0.044 0.000 2.303 143 F HA 0.254 4.781 4.527 -0.000 0.000 0.368 143 F C 1.451 177.164 175.800 -0.144 0.000 1.105 143 F CA -0.401 57.555 58.000 -0.072 0.000 1.153 143 F CB 0.482 39.434 39.000 -0.080 0.000 1.362 143 F HN 0.488 nan 8.300 nan 0.000 0.511 144 D N 2.242 122.602 120.400 -0.068 0.000 2.221 144 D HA -0.034 4.606 4.640 -0.000 0.000 0.204 144 D C 1.023 177.171 176.300 -0.254 0.000 0.982 144 D CA 1.079 54.982 54.000 -0.161 0.000 0.857 144 D CB 0.369 41.040 40.800 -0.215 0.000 0.934 144 D HN 0.626 nan 8.370 nan 0.000 0.475 145 G N -0.971 107.593 108.800 -0.393 0.000 2.768 145 G HA2 0.471 4.431 3.960 -0.000 0.000 0.297 145 G HA3 0.471 4.431 3.960 -0.000 0.000 0.297 145 G C -1.587 172.894 174.900 -0.699 0.000 1.430 145 G CA -0.393 44.272 45.100 -0.725 0.000 1.030 145 G HN -0.060 nan 8.290 nan 0.000 0.553 146 V N 2.018 121.716 119.914 -0.360 0.000 2.671 146 V HA 0.403 4.523 4.120 -0.000 0.000 0.292 146 V C -1.106 175.015 176.094 0.044 0.000 1.115 146 V CA -1.152 60.993 62.300 -0.259 0.000 0.918 146 V CB 1.761 33.116 31.823 -0.780 0.000 1.036 146 V HN 0.756 nan 8.190 nan 0.000 0.445 147 N N 2.168 120.972 118.700 0.173 0.000 2.392 147 N HA 0.439 5.179 4.740 -0.000 0.000 0.283 147 N C 0.703 176.162 175.510 -0.085 0.000 1.003 147 N CA 0.338 53.414 53.050 0.044 0.000 0.892 147 N CB 2.331 40.751 38.487 -0.112 0.000 1.193 147 N HN 0.657 nan 8.380 nan 0.000 0.487 148 S N 2.199 117.879 115.700 -0.033 0.000 2.506 148 S HA 0.522 4.992 4.470 -0.000 0.000 0.219 148 S C 0.282 174.963 174.600 0.136 0.000 1.031 148 S CA 0.382 58.619 58.200 0.061 0.000 0.911 148 S CB 0.155 63.405 63.200 0.083 0.000 0.812 148 S HN 0.678 nan 8.310 nan 0.000 0.497 149 A N 0.651 123.579 122.820 0.180 0.000 2.594 149 A HA 0.785 5.105 4.320 -0.000 0.000 0.291 149 A C -1.523 176.312 177.584 0.418 0.000 1.105 149 A CA -0.786 51.405 52.037 0.257 0.000 0.694 149 A CB 1.015 20.204 19.000 0.316 0.000 1.291 149 A HN 1.210 nan 8.150 nan 0.000 0.410 150 F N -0.918 119.063 119.950 0.053 0.000 2.680 150 F HA 0.559 5.086 4.527 -0.000 0.000 0.315 150 F C -1.622 174.323 175.800 0.242 0.000 1.099 150 F CA -0.836 57.237 58.000 0.123 0.000 1.033 150 F CB 0.572 39.547 39.000 -0.041 0.000 1.285 150 F HN 0.587 nan 8.300 nan 0.000 0.457 151 H N 3.752 123.062 119.070 0.399 0.000 2.552 151 H HA 0.646 5.202 4.556 -0.000 0.000 0.311 151 H C -0.913 174.466 175.328 0.086 0.000 1.071 151 H CA -0.464 55.711 56.048 0.213 0.000 1.307 151 H CB 2.069 32.002 29.762 0.284 0.000 1.416 151 H HN 0.876 nan 8.280 nan 0.000 0.464 152 L N 3.732 124.836 121.223 -0.199 0.000 2.334 152 L HA 0.483 4.823 4.340 -0.000 0.000 0.272 152 L C -1.253 175.407 176.870 -0.349 0.000 1.020 152 L CA -0.483 54.285 54.840 -0.121 0.000 0.812 152 L CB 1.460 43.369 42.059 -0.250 0.000 1.264 152 L HN 0.501 nan 8.230 nan 0.000 0.439 153 W N 3.544 124.797 121.300 -0.078 0.000 2.962 153 W HA 0.601 5.261 4.660 -0.000 0.000 0.341 153 W C -1.334 175.094 176.519 -0.151 0.000 1.155 153 W CA -0.802 56.465 57.345 -0.130 0.000 1.165 153 W CB 2.008 31.419 29.460 -0.082 0.000 1.435 153 W HN 0.733 nan 8.180 nan 0.000 0.546 154 C N 3.623 122.963 119.300 0.066 0.000 2.782 154 C HA 0.296 4.756 4.460 -0.000 0.000 0.328 154 C C 0.308 175.357 174.990 0.098 0.000 1.145 154 C CA -0.471 58.562 59.018 0.024 0.000 1.358 154 C CB 0.266 27.936 27.740 -0.117 0.000 1.841 154 C HN 0.843 nan 8.230 nan 0.000 0.477 155 N N 3.372 122.126 118.700 0.091 0.000 2.677 155 N HA -0.221 4.519 4.740 -0.000 0.000 0.249 155 N C 1.091 176.650 175.510 0.083 0.000 1.073 155 N CA 2.036 55.128 53.050 0.070 0.000 0.737 155 N CB -1.331 37.199 38.487 0.073 0.000 0.999 155 N HN 1.993 nan 8.380 nan 0.000 0.543 156 G N -1.274 107.567 108.800 0.069 0.000 2.234 156 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.235 156 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.235 156 G C 0.115 175.175 174.900 0.266 0.000 0.997 156 G CA 0.346 45.485 45.100 0.064 0.000 0.623 156 G HN 0.533 nan 8.290 nan 0.000 0.514 157 R N -0.794 119.906 120.500 0.333 0.000 2.428 157 R HA 0.491 4.831 4.340 -0.000 0.000 0.294 157 R C -0.121 176.374 176.300 0.326 0.000 1.000 157 R CA -0.806 55.548 56.100 0.424 0.000 0.960 157 R CB 1.047 31.654 30.300 0.512 0.000 1.076 157 R HN 0.245 nan 8.270 nan 0.000 0.475 158 W N 3.105 124.427 121.300 0.038 0.000 2.181 158 W HA 0.134 4.794 4.660 -0.000 0.000 0.335 158 W C -0.151 176.168 176.519 -0.333 0.000 1.310 158 W CA 0.096 57.120 57.345 -0.535 0.000 1.226 158 W CB 0.624 29.729 29.460 -0.591 0.000 1.155 158 W HN 0.307 nan 8.180 nan 0.000 0.565 159 V N 4.342 123.440 119.914 -1.361 0.000 3.264 159 V HA 0.561 4.681 4.120 -0.000 0.000 0.217 159 V C 0.849 176.074 176.094 -1.448 0.000 1.236 159 V CA 0.727 62.331 62.300 -1.160 0.000 1.287 159 V CB -0.308 30.904 31.823 -1.017 0.000 1.241 159 V HN 0.737 nan 8.190 nan 0.000 0.518 160 G N -1.758 106.138 108.800 -1.506 0.000 3.021 160 G HA2 0.611 4.571 3.960 -0.000 0.000 0.290 160 G HA3 0.611 4.571 3.960 -0.000 0.000 0.290 160 G C -2.266 172.359 174.900 -0.459 0.000 1.291 160 G CA -0.429 44.175 45.100 -0.826 0.000 0.834 160 G HN 0.141 nan 8.290 nan 0.000 0.564 161 Y N -1.186 119.010 120.300 -0.172 0.000 2.573 161 Y HA 0.574 5.124 4.550 -0.000 0.000 0.328 161 Y C -0.454 175.316 175.900 -0.216 0.000 1.170 161 Y CA -0.402 57.544 58.100 -0.256 0.000 1.078 161 Y CB 1.554 40.039 38.460 0.043 0.000 1.341 161 Y HN 1.234 nan 8.280 nan 0.000 0.459 162 G N 4.057 112.085 108.800 -1.287 0.000 2.720 162 G HA2 0.594 4.554 3.960 -0.000 0.000 0.295 162 G HA3 0.594 4.554 3.960 -0.000 0.000 0.295 162 G C -2.163 172.422 174.900 -0.526 0.000 1.437 162 G CA -0.919 43.738 45.100 -0.738 0.000 0.886 162 G HN 0.604 nan 8.290 nan 0.000 0.509 163 Q N -0.235 119.407 119.800 -0.263 0.000 2.496 163 Q HA 0.600 4.940 4.340 -0.000 0.000 0.286 163 Q C -1.306 174.698 176.000 0.006 0.000 1.103 163 Q CA -0.818 54.935 55.803 -0.083 0.000 0.813 163 Q CB 2.685 31.392 28.738 -0.052 0.000 1.444 163 Q HN 0.711 nan 8.270 nan 0.000 0.443 164 D N 0.056 120.492 120.400 0.060 0.000 4.535 164 D HA -0.112 4.528 4.640 -0.000 0.000 0.236 164 D C -0.364 175.991 176.300 0.091 0.000 1.142 164 D CA 0.707 54.753 54.000 0.078 0.000 1.102 164 D CB -0.590 40.240 40.800 0.049 0.000 0.703 164 D HN 0.556 nan 8.370 nan 0.000 0.331 165 S N 2.459 118.230 115.700 0.119 0.000 2.727 165 S HA 0.042 4.512 4.470 -0.000 0.000 0.226 165 S C 1.510 176.234 174.600 0.206 0.000 0.963 165 S CA 0.192 58.495 58.200 0.172 0.000 0.950 165 S CB 0.395 63.710 63.200 0.192 0.000 0.779 165 S HN 0.446 nan 8.310 nan 0.000 0.532 166 R N -0.038 120.536 120.500 0.123 0.000 2.446 166 R HA 0.492 4.832 4.340 -0.000 0.000 0.254 166 R C -0.232 176.112 176.300 0.073 0.000 0.918 166 R CA 0.103 56.275 56.100 0.118 0.000 1.069 166 R CB 0.336 30.726 30.300 0.149 0.000 1.194 166 R HN 0.334 nan 8.270 nan 0.000 0.534 167 L N 1.862 123.106 121.223 0.035 0.000 2.381 167 L HA 0.565 4.905 4.340 -0.000 0.000 0.268 167 L C -2.297 174.557 176.870 -0.027 0.000 0.997 167 L CA -2.245 52.594 54.840 -0.002 0.000 0.818 167 L CB 2.358 44.415 42.059 -0.004 0.000 1.310 167 L HN -0.089 nan 8.230 nan 0.000 0.416 168 P HA 0.050 nan 4.420 nan 0.000 0.267 168 P C -0.877 176.430 177.300 0.012 0.000 1.200 168 P CA -0.092 62.987 63.100 -0.034 0.000 0.772 168 P CB 0.720 32.363 31.700 -0.095 0.000 0.855 169 S N 1.346 117.133 115.700 0.144 0.000 2.519 169 S HA 0.334 4.804 4.470 -0.000 0.000 0.309 169 S C -0.483 174.238 174.600 0.201 0.000 1.100 169 S CA -0.598 57.700 58.200 0.164 0.000 1.059 169 S CB 0.985 64.411 63.200 0.377 0.000 1.008 169 S HN 0.364 nan 8.310 nan 0.000 0.478 170 E N 1.784 121.920 120.200 -0.106 0.000 2.212 170 E HA 0.621 4.971 4.350 -0.000 0.000 0.268 170 E C -1.452 175.000 176.600 -0.248 0.000 0.902 170 E CA -0.538 55.854 56.400 -0.014 0.000 0.779 170 E CB 1.506 31.224 29.700 0.031 0.000 1.172 170 E HN 0.410 nan 8.360 nan 0.000 0.409 171 F N 0.537 120.534 119.950 0.080 0.000 2.601 171 F HA 0.201 4.728 4.527 -0.000 0.000 0.309 171 F C -0.001 175.833 175.800 0.057 0.000 1.089 171 F CA -1.096 56.931 58.000 0.045 0.000 0.940 171 F CB 1.423 40.427 39.000 0.007 0.000 1.273 171 F HN 0.268 nan 8.300 nan 0.000 0.450 172 D N 2.647 123.200 120.400 0.254 0.000 2.348 172 D HA 0.171 4.811 4.640 -0.000 0.000 0.253 172 D C 0.443 176.898 176.300 0.260 0.000 1.161 172 D CA 0.238 54.358 54.000 0.199 0.000 0.876 172 D CB 1.190 42.081 40.800 0.151 0.000 1.160 172 D HN 0.601 nan 8.370 nan 0.000 0.459 173 L N 2.821 124.186 121.223 0.238 0.000 2.513 173 L HA -0.071 4.269 4.340 -0.000 0.000 0.222 173 L C 2.330 179.434 176.870 0.391 0.000 1.096 173 L CA -0.020 55.003 54.840 0.305 0.000 0.857 173 L CB -0.042 42.166 42.059 0.249 0.000 1.026 173 L HN 0.377 nan 8.230 nan 0.000 0.469 174 S N 1.282 117.133 115.700 0.252 0.000 2.408 174 S HA -0.354 4.116 4.470 -0.000 0.000 0.241 174 S C 2.072 176.741 174.600 0.114 0.000 1.080 174 S CA 1.957 60.254 58.200 0.162 0.000 1.109 174 S CB -0.371 62.878 63.200 0.081 0.000 0.966 174 S HN 0.581 nan 8.310 nan 0.000 0.449 175 A N 0.005 122.850 122.820 0.042 0.000 2.066 175 A HA 0.156 4.476 4.320 -0.000 0.000 0.218 175 A C 1.629 179.012 177.584 -0.335 0.000 1.157 175 A CA 1.036 52.924 52.037 -0.248 0.000 0.670 175 A CB -0.491 18.187 19.000 -0.536 0.000 0.804 175 A HN 0.534 nan 8.150 nan 0.000 0.453 176 F N -0.492 119.493 119.950 0.058 0.000 2.653 176 F HA 0.342 4.869 4.527 -0.000 0.000 0.288 176 F C 0.896 176.729 175.800 0.056 0.000 1.121 176 F CA -0.827 57.208 58.000 0.058 0.000 1.384 176 F CB -0.636 38.404 39.000 0.066 0.000 1.115 176 F HN -0.091 nan 8.300 nan 0.000 0.599 177 L N 1.693 123.095 121.223 0.298 0.000 2.498 177 L HA 0.011 4.351 4.340 -0.000 0.000 0.293 177 L C 0.685 177.616 176.870 0.101 0.000 1.271 177 L CA 0.698 55.647 54.840 0.181 0.000 0.831 177 L CB 0.121 42.301 42.059 0.202 0.000 1.091 177 L HN 0.271 nan 8.230 nan 0.000 0.535 178 R N 0.225 120.745 120.500 0.033 0.000 2.831 178 R HA 0.633 4.973 4.340 -0.000 0.000 0.266 178 R C -1.289 174.997 176.300 -0.023 0.000 1.051 178 R CA -0.623 55.479 56.100 0.005 0.000 0.943 178 R CB 1.841 32.133 30.300 -0.014 0.000 1.228 178 R HN 0.663 nan 8.270 nan 0.000 0.467 179 A N 1.025 123.832 122.820 -0.021 0.000 2.401 179 A HA 0.493 4.813 4.320 -0.000 0.000 0.259 179 A C 0.963 178.505 177.584 -0.069 0.000 1.103 179 A CA 0.806 52.823 52.037 -0.033 0.000 0.789 179 A CB -0.108 18.880 19.000 -0.020 0.000 1.035 179 A HN 1.127 nan 8.150 nan 0.000 0.491 180 G N 1.855 110.600 108.800 -0.091 0.000 2.646 180 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.324 180 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.324 180 G C 0.275 175.062 174.900 -0.188 0.000 1.195 180 G CA 0.627 45.654 45.100 -0.121 0.000 0.976 180 G HN 1.036 nan 8.290 nan 0.000 0.546 181 E N 2.504 122.612 120.200 -0.153 0.000 2.585 181 E HA 0.142 4.492 4.350 -0.000 0.000 0.252 181 E C -0.170 176.280 176.600 -0.249 0.000 0.981 181 E CA 0.451 56.740 56.400 -0.185 0.000 0.943 181 E CB -0.064 29.568 29.700 -0.114 0.000 0.923 181 E HN 0.393 nan 8.360 nan 0.000 0.486 182 N N 3.435 121.882 118.700 -0.422 0.000 2.310 182 N HA 0.242 4.982 4.740 -0.000 0.000 0.292 182 N C -0.955 174.382 175.510 -0.288 0.000 1.049 182 N CA -0.596 52.161 53.050 -0.488 0.000 0.849 182 N CB 2.091 40.073 38.487 -0.842 0.000 1.532 182 N HN 0.278 nan 8.380 nan 0.000 0.479 183 R N 2.926 123.390 120.500 -0.060 0.000 2.409 183 R HA 0.437 4.777 4.340 -0.000 0.000 0.313 183 R C -0.962 175.413 176.300 0.125 0.000 0.953 183 R CA -0.483 55.649 56.100 0.053 0.000 0.849 183 R CB 0.821 31.110 30.300 -0.018 0.000 1.171 183 R HN 0.523 nan 8.270 nan 0.000 0.458 184 L N 2.249 123.602 121.223 0.218 0.000 2.399 184 L HA 0.610 4.950 4.340 -0.000 0.000 0.265 184 L C 0.099 177.082 176.870 0.188 0.000 1.089 184 L CA -0.448 54.523 54.840 0.218 0.000 0.802 184 L CB 1.721 43.916 42.059 0.227 0.000 1.180 184 L HN 0.729 nan 8.230 nan 0.000 0.454 185 A N 1.837 124.811 122.820 0.258 0.000 2.872 185 A HA 0.550 4.870 4.320 -0.000 0.000 0.305 185 A C -1.037 176.945 177.584 0.664 0.000 1.171 185 A CA -0.493 51.715 52.037 0.285 0.000 0.782 185 A CB 0.471 19.124 19.000 -0.579 0.000 1.329 185 A HN 0.311 nan 8.150 nan 0.000 0.432 186 V N 1.537 121.915 119.914 0.773 0.000 2.432 186 V HA 0.499 4.619 4.120 -0.000 0.000 0.271 186 V C 0.383 176.926 176.094 0.748 0.000 1.046 186 V CA -0.202 62.508 62.300 0.683 0.000 0.945 186 V CB 0.853 32.923 31.823 0.412 0.000 0.992 186 V HN 0.902 nan 8.190 nan 0.000 0.471 187 M N 6.558 126.614 119.600 0.759 0.000 2.047 187 M HA 0.586 5.066 4.480 -0.000 0.000 0.342 187 M C -1.273 175.261 176.300 0.389 0.000 1.058 187 M CA -0.213 55.376 55.300 0.482 0.000 0.991 187 M CB 1.138 34.072 32.600 0.558 0.000 1.474 187 M HN 0.457 nan 8.290 nan 0.000 0.419 188 V N 6.037 126.124 119.914 0.289 0.000 2.567 188 V HA 0.465 4.585 4.120 -0.000 0.000 0.289 188 V C 0.093 176.313 176.094 0.211 0.000 1.049 188 V CA -0.708 61.758 62.300 0.277 0.000 0.969 188 V CB 1.471 33.491 31.823 0.328 0.000 0.995 188 V HN 0.805 nan 8.190 nan 0.000 0.471 189 L N 4.022 125.330 121.223 0.143 0.000 2.329 189 L HA 0.578 4.918 4.340 -0.000 0.000 0.279 189 L C 1.270 178.105 176.870 -0.058 0.000 1.014 189 L CA -0.661 54.182 54.840 0.005 0.000 0.814 189 L CB 1.832 43.837 42.059 -0.090 0.000 1.257 189 L HN 0.616 nan 8.230 nan 0.000 0.424 190 R N 1.860 122.224 120.500 -0.227 0.000 2.062 190 R HA -0.016 4.324 4.340 -0.000 0.000 0.229 190 R C -0.402 175.546 176.300 -0.587 0.000 1.128 190 R CA 1.489 57.204 56.100 -0.640 0.000 0.960 190 R CB 0.214 29.835 30.300 -1.132 0.000 0.855 190 R HN 0.565 nan 8.270 nan 0.000 0.432 191 W N -0.127 121.208 121.300 0.059 0.000 2.570 191 W HA 0.413 5.073 4.660 -0.000 0.000 0.337 191 W C -0.054 176.554 176.519 0.149 0.000 1.067 191 W CA -0.756 56.636 57.345 0.078 0.000 1.229 191 W CB 1.409 30.910 29.460 0.067 0.000 1.355 191 W HN -0.041 nan 8.180 nan 0.000 0.555 192 S N -0.957 115.024 115.700 0.469 0.000 2.636 192 S HA 0.177 4.647 4.470 -0.000 0.000 0.268 192 S C 0.024 174.896 174.600 0.454 0.000 1.159 192 S CA -0.361 58.124 58.200 0.475 0.000 0.815 192 S CB 0.923 64.369 63.200 0.409 0.000 1.130 192 S HN 0.629 nan 8.310 nan 0.000 0.471 193 D N 0.686 121.352 120.400 0.443 0.000 2.218 193 D HA 0.072 4.712 4.640 -0.000 0.000 0.204 193 D C 1.798 178.407 176.300 0.515 0.000 0.976 193 D CA 1.290 55.584 54.000 0.489 0.000 0.853 193 D CB -0.720 40.237 40.800 0.263 0.000 0.939 193 D HN 0.726 nan 8.370 nan 0.000 0.481 194 G N -0.113 108.908 108.800 0.369 0.000 2.471 194 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.219 194 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.219 194 G C 1.724 176.810 174.900 0.309 0.000 1.125 194 G CA 0.581 45.868 45.100 0.311 0.000 0.775 194 G HN 0.286 nan 8.290 nan 0.000 0.548 195 S N -0.031 115.856 115.700 0.311 0.000 2.383 195 S HA -0.123 4.347 4.470 -0.000 0.000 0.229 195 S C 1.886 176.624 174.600 0.229 0.000 1.030 195 S CA 0.852 59.204 58.200 0.252 0.000 1.002 195 S CB -0.387 62.965 63.200 0.253 0.000 0.829 195 S HN 0.542 nan 8.310 nan 0.000 0.467 196 Y N 1.108 121.506 120.300 0.163 0.000 2.716 196 Y HA 0.077 4.627 4.550 -0.000 0.000 0.302 196 Y C 1.454 177.455 175.900 0.167 0.000 1.160 196 Y CA 0.515 58.665 58.100 0.083 0.000 1.362 196 Y CB -0.269 38.105 38.460 -0.144 0.000 0.988 196 Y HN 0.234 nan 8.280 nan 0.000 0.546 197 L N -0.470 120.944 121.223 0.319 0.000 2.766 197 L HA 0.164 4.504 4.340 -0.000 0.000 0.242 197 L C 0.272 177.265 176.870 0.206 0.000 1.136 197 L CA 0.310 55.285 54.840 0.225 0.000 0.933 197 L CB 0.110 42.290 42.059 0.201 0.000 1.241 197 L HN 0.188 nan 8.230 nan 0.000 0.522 198 E N 0.472 120.810 120.200 0.230 0.000 2.830 198 E HA 0.069 4.419 4.350 -0.000 0.000 0.225 198 E C -0.588 176.109 176.600 0.161 0.000 1.109 198 E CA -0.092 56.425 56.400 0.195 0.000 1.392 198 E CB 0.385 30.195 29.700 0.183 0.000 1.349 198 E HN 0.057 nan 8.360 nan 0.000 0.433 199 D N 1.888 122.349 120.400 0.101 0.000 3.057 199 D HA 0.035 4.675 4.640 -0.000 0.000 0.246 199 D C -0.541 175.748 176.300 -0.019 0.000 1.238 199 D CA -0.088 53.876 54.000 -0.060 0.000 0.949 199 D CB 0.018 40.564 40.800 -0.423 0.000 1.086 199 D HN 0.063 nan 8.370 nan 0.000 0.487 200 Q N 0.521 120.384 119.800 0.105 0.000 2.256 200 Q HA 0.217 4.557 4.340 -0.000 0.000 0.254 200 Q C -0.244 175.846 176.000 0.150 0.000 0.916 200 Q CA -0.648 55.275 55.803 0.199 0.000 0.932 200 Q CB 1.076 30.065 28.738 0.419 0.000 1.207 200 Q HN 0.056 nan 8.270 nan 0.000 0.426 201 D N 4.192 124.663 120.400 0.117 0.000 2.422 201 D HA -0.008 4.631 4.640 -0.000 0.000 0.283 201 D C -0.564 175.802 176.300 0.110 0.000 1.428 201 D CA 0.637 54.642 54.000 0.008 0.000 1.117 201 D CB -0.131 40.693 40.800 0.040 0.000 1.120 201 D HN 0.588 nan 8.370 nan 0.000 0.543 202 M N 1.385 120.999 119.600 0.023 0.000 3.196 202 M HA 0.245 4.725 4.480 -0.000 0.000 0.279 202 M C -1.494 174.878 176.300 0.120 0.000 1.173 202 M CA -0.971 54.388 55.300 0.098 0.000 0.820 202 M CB 0.679 33.328 32.600 0.081 0.000 1.621 202 M HN -0.014 nan 8.290 nan 0.000 0.521 203 W N 1.831 123.235 121.300 0.174 0.000 2.264 203 W HA 0.350 5.010 4.660 -0.000 0.000 0.331 203 W C 0.195 176.733 176.519 0.032 0.000 1.364 203 W CA 0.179 57.596 57.345 0.120 0.000 1.253 203 W CB 0.313 29.790 29.460 0.028 0.000 1.215 203 W HN 0.423 nan 8.180 nan 0.000 0.561 204 R N 4.232 124.889 120.500 0.261 0.000 2.825 204 R HA 0.281 4.621 4.340 -0.000 0.000 0.261 204 R C 0.195 176.546 176.300 0.085 0.000 1.341 204 R CA 0.032 56.229 56.100 0.161 0.000 1.353 204 R CB -0.408 30.008 30.300 0.193 0.000 1.191 204 R HN 0.451 nan 8.270 nan 0.000 0.590 205 M N -0.449 119.119 119.600 -0.053 0.000 2.356 205 M HA 0.527 5.007 4.480 -0.000 0.000 0.219 205 M C 0.228 176.270 176.300 -0.431 0.000 1.004 205 M CA -0.649 54.505 55.300 -0.242 0.000 1.427 205 M CB 0.976 33.410 32.600 -0.275 0.000 1.197 205 M HN 0.502 nan 8.290 nan 0.000 0.739 206 S N -1.690 113.638 115.700 -0.619 0.000 2.707 206 S HA 0.676 5.146 4.470 -0.000 0.000 0.270 206 S C -0.676 173.473 174.600 -0.752 0.000 1.031 206 S CA -0.302 57.442 58.200 -0.760 0.000 0.866 206 S CB 0.762 63.404 63.200 -0.930 0.000 1.114 206 S HN 1.626 nan 8.310 nan 0.000 0.465 207 G N 0.294 108.822 108.800 -0.453 0.000 2.318 207 G HA2 0.226 4.186 3.960 -0.000 0.000 0.367 207 G HA3 0.226 4.186 3.960 -0.000 0.000 0.367 207 G C -1.445 173.452 174.900 -0.006 0.000 1.260 207 G CA -0.446 44.664 45.100 0.018 0.000 1.055 207 G HN 1.397 nan 8.290 nan 0.000 0.484 208 I N 2.126 122.611 120.570 -0.141 0.000 2.256 208 I HA 0.337 4.507 4.170 -0.000 0.000 0.294 208 I C 1.115 177.165 176.117 -0.112 0.000 1.127 208 I CA -0.294 60.816 61.300 -0.317 0.000 1.247 208 I CB 0.194 37.784 38.000 -0.683 0.000 1.460 208 I HN 0.506 nan 8.210 nan 0.000 0.511 209 F N 3.897 123.720 119.950 -0.212 0.000 2.765 209 F HA 0.462 4.989 4.527 -0.000 0.000 0.302 209 F C 0.738 176.481 175.800 -0.096 0.000 1.111 209 F CA -0.500 57.411 58.000 -0.148 0.000 1.359 209 F CB -0.332 38.586 39.000 -0.137 0.000 1.097 209 F HN 0.098 nan 8.300 nan 0.000 0.577 210 R N 0.789 120.951 120.500 -0.563 0.000 2.892 210 R HA 0.260 4.600 4.340 -0.000 0.000 0.265 210 R C -0.609 175.545 176.300 -0.243 0.000 1.025 210 R CA -1.017 54.837 56.100 -0.411 0.000 0.982 210 R CB 1.281 31.223 30.300 -0.597 0.000 1.185 210 R HN 0.077 nan 8.270 nan 0.000 0.484 211 D N 0.038 120.352 120.400 -0.143 0.000 2.341 211 D HA 0.078 4.718 4.640 -0.000 0.000 0.233 211 D C -0.573 175.640 176.300 -0.144 0.000 1.270 211 D CA 0.488 54.424 54.000 -0.107 0.000 0.883 211 D CB 0.400 41.170 40.800 -0.050 0.000 1.207 211 D HN -0.006 nan 8.370 nan 0.000 0.471 212 V N 0.146 119.988 119.914 -0.121 0.000 2.532 212 V HA 0.474 4.594 4.120 -0.000 0.000 0.294 212 V C -0.599 175.428 176.094 -0.112 0.000 1.036 212 V CA -0.729 61.466 62.300 -0.175 0.000 0.876 212 V CB 1.327 33.044 31.823 -0.177 0.000 1.012 212 V HN 0.711 nan 8.190 nan 0.000 0.432 213 S N 4.889 120.499 115.700 -0.149 0.000 2.667 213 S HA 0.853 5.323 4.470 -0.000 0.000 0.292 213 S C -1.012 173.558 174.600 -0.049 0.000 1.126 213 S CA -0.985 57.177 58.200 -0.063 0.000 0.881 213 S CB 2.404 65.597 63.200 -0.012 0.000 1.132 213 S HN 0.457 nan 8.310 nan 0.000 0.492 214 L N 1.651 122.910 121.223 0.061 0.000 2.333 214 L HA 0.611 4.951 4.340 -0.000 0.000 0.280 214 L C -1.527 175.469 176.870 0.210 0.000 1.004 214 L CA -0.748 54.202 54.840 0.182 0.000 0.820 214 L CB 1.589 43.853 42.059 0.343 0.000 1.247 214 L HN 0.628 nan 8.230 nan 0.000 0.416 215 L N 3.366 124.661 121.223 0.120 0.000 2.385 215 L HA 0.461 4.801 4.340 -0.000 0.000 0.273 215 L C -0.920 175.858 176.870 -0.152 0.000 0.990 215 L CA -0.287 54.561 54.840 0.013 0.000 0.821 215 L CB 1.778 43.856 42.059 0.033 0.000 1.279 215 L HN 0.471 nan 8.230 nan 0.000 0.412 216 H N 4.463 123.230 119.070 -0.505 0.000 2.581 216 H HA 0.551 5.107 4.556 -0.000 0.000 0.308 216 H C -1.046 174.030 175.328 -0.419 0.000 1.040 216 H CA -0.332 55.268 56.048 -0.746 0.000 1.231 216 H CB 0.697 29.449 29.762 -1.684 0.000 1.396 216 H HN 0.438 nan 8.280 nan 0.000 0.467 217 K N 5.354 125.380 120.400 -0.623 0.000 2.281 217 K HA 0.376 4.696 4.320 -0.000 0.000 0.242 217 K C -2.850 173.472 176.600 -0.463 0.000 0.971 217 K CA -2.231 53.809 56.287 -0.412 0.000 0.834 217 K CB 1.811 34.149 32.500 -0.271 0.000 1.181 217 K HN 0.498 nan 8.250 nan 0.000 0.435 218 P HA 0.058 nan 4.420 nan 0.000 0.279 218 P C 0.698 177.892 177.300 -0.176 0.000 1.239 218 P CA -0.103 62.883 63.100 -0.190 0.000 0.789 218 P CB 0.460 32.097 31.700 -0.105 0.000 0.933 219 T N -1.133 113.336 114.554 -0.142 0.000 2.849 219 T HA -0.081 4.269 4.350 -0.000 0.000 0.270 219 T C 0.760 175.397 174.700 -0.105 0.000 1.066 219 T CA 1.360 63.390 62.100 -0.116 0.000 1.130 219 T CB -0.893 67.926 68.868 -0.083 0.000 0.864 219 T HN 0.307 nan 8.240 nan 0.000 0.481 220 T N 3.239 117.734 114.554 -0.098 0.000 2.753 220 T HA 0.455 4.805 4.350 -0.000 0.000 0.297 220 T C -0.437 174.193 174.700 -0.117 0.000 0.981 220 T CA -0.812 61.223 62.100 -0.108 0.000 0.956 220 T CB 0.881 69.691 68.868 -0.097 0.000 0.936 220 T HN 0.648 nan 8.240 nan 0.000 0.463 221 Q N 3.395 123.114 119.800 -0.135 0.000 2.615 221 Q HA 0.531 4.871 4.340 -0.000 0.000 0.298 221 Q C -1.112 174.798 176.000 -0.149 0.000 1.023 221 Q CA -1.108 54.604 55.803 -0.151 0.000 0.768 221 Q CB 1.377 29.999 28.738 -0.192 0.000 1.500 221 Q HN 0.490 nan 8.270 nan 0.000 0.441 222 I N 2.719 123.169 120.570 -0.200 0.000 2.436 222 I HA 0.009 4.179 4.170 -0.000 0.000 0.289 222 I C 1.039 176.961 176.117 -0.324 0.000 1.083 222 I CA 0.133 61.307 61.300 -0.209 0.000 1.372 222 I CB 0.943 38.761 38.000 -0.305 0.000 1.408 222 I HN 0.849 nan 8.210 nan 0.000 0.516 223 S N 2.883 118.533 115.700 -0.085 0.000 2.497 223 S HA 0.145 4.615 4.470 -0.000 0.000 0.221 223 S C 0.233 175.052 174.600 0.366 0.000 1.037 223 S CA -0.107 58.117 58.200 0.041 0.000 0.920 223 S CB 0.372 63.601 63.200 0.049 0.000 0.800 223 S HN 0.713 nan 8.310 nan 0.000 0.505 224 D N -0.415 120.221 120.400 0.394 0.000 2.653 224 D HA 0.579 5.219 4.640 -0.000 0.000 0.258 224 D C -1.932 174.726 176.300 0.598 0.000 1.252 224 D CA -0.705 53.617 54.000 0.536 0.000 0.777 224 D CB 1.821 42.834 40.800 0.354 0.000 1.339 224 D HN 0.237 nan 8.370 nan 0.000 0.422 225 F N -0.765 119.399 119.950 0.357 0.000 2.652 225 F HA 0.483 5.010 4.527 -0.000 0.000 0.320 225 F C -1.786 174.264 175.800 0.415 0.000 1.115 225 F CA -0.759 57.403 58.000 0.268 0.000 1.053 225 F CB 0.499 39.591 39.000 0.154 0.000 1.297 225 F HN 0.314 nan 8.300 nan 0.000 0.471 226 H N 2.038 121.086 119.070 -0.038 0.000 2.569 226 H HA 0.859 5.415 4.556 -0.000 0.000 0.357 226 H C -1.096 174.194 175.328 -0.064 0.000 1.153 226 H CA -1.651 54.316 56.048 -0.134 0.000 1.193 226 H CB 2.817 32.521 29.762 -0.096 0.000 1.602 226 H HN 0.589 nan 8.280 nan 0.000 0.523 227 V N 1.013 120.941 119.914 0.024 0.000 2.815 227 V HA 0.795 4.915 4.120 -0.000 0.000 0.314 227 V C -0.228 175.831 176.094 -0.058 0.000 1.064 227 V CA -0.664 61.627 62.300 -0.016 0.000 0.952 227 V CB 1.591 33.391 31.823 -0.039 0.000 1.020 227 V HN 0.996 nan 8.190 nan 0.000 0.439 228 A N 1.774 124.532 122.820 -0.102 0.000 2.594 228 A HA 0.877 5.197 4.320 -0.000 0.000 0.296 228 A C -0.545 176.914 177.584 -0.209 0.000 1.061 228 A CA -0.122 51.841 52.037 -0.124 0.000 0.689 228 A CB 2.147 21.100 19.000 -0.078 0.000 1.280 228 A HN 1.131 nan 8.150 nan 0.000 0.406 229 T N -0.327 114.089 114.554 -0.230 0.000 2.912 229 T HA 0.835 5.185 4.350 -0.000 0.000 0.299 229 T C -0.639 173.818 174.700 -0.406 0.000 1.052 229 T CA -0.761 61.101 62.100 -0.398 0.000 0.996 229 T CB 1.372 69.900 68.868 -0.565 0.000 1.070 229 T HN 0.901 nan 8.240 nan 0.000 0.465 230 R N 1.722 121.866 120.500 -0.593 0.000 2.837 230 R HA 0.826 5.166 4.340 -0.000 0.000 0.271 230 R C -1.414 174.439 176.300 -0.745 0.000 0.993 230 R CA -0.900 54.938 56.100 -0.436 0.000 0.931 230 R CB 1.595 31.784 30.300 -0.184 0.000 1.206 230 R HN 0.542 nan 8.270 nan 0.000 0.474 231 F N -0.301 119.620 119.950 -0.048 0.000 2.675 231 F HA 0.389 4.916 4.527 -0.000 0.000 0.324 231 F C 0.104 175.774 175.800 -0.217 0.000 1.106 231 F CA -1.291 56.631 58.000 -0.130 0.000 0.970 231 F CB 0.826 39.657 39.000 -0.283 0.000 1.385 231 F HN 0.456 nan 8.300 nan 0.000 0.489 232 N N 0.296 118.973 118.700 -0.038 0.000 2.434 232 N HA 0.096 4.836 4.740 -0.000 0.000 0.266 232 N C 0.387 175.761 175.510 -0.226 0.000 1.223 232 N CA -0.216 52.776 53.050 -0.097 0.000 0.972 232 N CB 0.325 38.782 38.487 -0.049 0.000 1.207 232 N HN 0.700 nan 8.380 nan 0.000 0.525 233 D N -1.015 119.301 120.400 -0.139 0.000 2.280 233 D HA -0.242 4.398 4.640 -0.000 0.000 0.206 233 D C -0.009 176.200 176.300 -0.153 0.000 0.988 233 D CA 1.388 55.309 54.000 -0.132 0.000 0.886 233 D CB -0.396 40.380 40.800 -0.039 0.000 0.914 233 D HN 0.721 nan 8.370 nan 0.000 0.473 234 D N -1.743 118.576 120.400 -0.135 0.000 2.740 234 D HA 0.040 4.680 4.640 -0.000 0.000 0.301 234 D C 0.030 176.426 176.300 0.161 0.000 1.408 234 D CA -1.102 52.928 54.000 0.048 0.000 0.808 234 D CB -1.317 39.537 40.800 0.089 0.000 1.128 234 D HN 0.088 nan 8.370 nan 0.000 0.465 235 F N 0.005 120.015 119.950 0.099 0.000 3.093 235 F HA -0.310 4.217 4.527 -0.000 0.000 0.283 235 F C 1.617 177.503 175.800 0.144 0.000 0.848 235 F CA 0.888 58.971 58.000 0.138 0.000 1.059 235 F CB -2.530 36.458 39.000 -0.020 0.000 1.191 235 F HN 0.057 nan 8.300 nan 0.000 0.514 236 S N -0.708 115.093 115.700 0.169 0.000 2.406 236 S HA 0.026 4.496 4.470 -0.000 0.000 0.228 236 S C 0.826 175.484 174.600 0.097 0.000 1.020 236 S CA 0.874 59.145 58.200 0.117 0.000 0.965 236 S CB 0.102 63.343 63.200 0.068 0.000 0.798 236 S HN 0.379 nan 8.310 nan 0.000 0.488 237 R N -0.013 120.547 120.500 0.100 0.000 2.566 237 R HA 0.766 5.106 4.340 -0.000 0.000 0.271 237 R C -1.202 175.125 176.300 0.044 0.000 1.071 237 R CA -0.481 55.650 56.100 0.053 0.000 0.915 237 R CB 1.553 31.858 30.300 0.008 0.000 1.228 237 R HN 0.132 nan 8.270 nan 0.000 0.449 238 A N 1.425 124.245 122.820 0.000 0.000 2.486 238 A HA 0.790 5.110 4.320 -0.000 0.000 0.289 238 A C -1.002 176.525 177.584 -0.095 0.000 1.176 238 A CA -0.760 51.198 52.037 -0.132 0.000 0.757 238 A CB 2.050 20.901 19.000 -0.249 0.000 1.337 238 A HN 0.320 nan 8.150 nan 0.000 0.423 239 V N 1.684 121.483 119.914 -0.191 0.000 2.304 239 V HA 0.357 4.477 4.120 -0.000 0.000 0.278 239 V C -0.020 175.980 176.094 -0.157 0.000 1.018 239 V CA -0.477 61.740 62.300 -0.137 0.000 0.814 239 V CB 0.498 32.234 31.823 -0.145 0.000 1.021 239 V HN 0.863 nan 8.190 nan 0.000 0.440 240 L N 3.289 124.461 121.223 -0.084 0.000 2.461 240 L HA 0.445 4.785 4.340 -0.000 0.000 0.259 240 L C 0.367 177.161 176.870 -0.126 0.000 1.248 240 L CA 0.816 55.569 54.840 -0.145 0.000 0.823 240 L CB 0.264 42.282 42.059 -0.069 0.000 1.111 240 L HN 0.877 nan 8.230 nan 0.000 0.516 241 E N 1.241 121.373 120.200 -0.113 0.000 2.665 241 E HA 0.383 4.733 4.350 -0.000 0.000 0.396 241 E C -1.731 174.837 176.600 -0.054 0.000 1.050 241 E CA -0.261 56.089 56.400 -0.084 0.000 0.731 241 E CB 0.399 30.043 29.700 -0.093 0.000 1.568 241 E HN 0.893 nan 8.360 nan 0.000 0.385 242 A N 3.068 125.871 122.820 -0.029 0.000 2.328 242 A HA 0.383 4.703 4.320 -0.000 0.000 0.284 242 A C -0.119 177.454 177.584 -0.017 0.000 1.160 242 A CA -0.339 51.710 52.037 0.021 0.000 0.818 242 A CB 0.833 19.881 19.000 0.079 0.000 1.087 242 A HN 0.531 nan 8.150 nan 0.000 0.504 243 E N 3.036 123.224 120.200 -0.020 0.000 2.092 243 E HA 0.507 4.857 4.350 -0.000 0.000 0.271 243 E C -1.302 175.271 176.600 -0.045 0.000 0.919 243 E CA -0.404 55.926 56.400 -0.117 0.000 0.760 243 E CB 1.006 30.534 29.700 -0.286 0.000 1.106 243 E HN 0.417 nan 8.360 nan 0.000 0.408 244 V N 3.986 123.872 119.914 -0.046 0.000 2.732 244 V HA 0.375 4.495 4.120 -0.000 0.000 0.310 244 V C -0.256 175.865 176.094 0.045 0.000 1.053 244 V CA -0.705 61.620 62.300 0.041 0.000 0.957 244 V CB 1.769 33.572 31.823 -0.033 0.000 1.018 244 V HN 0.733 nan 8.190 nan 0.000 0.452 245 Q N 2.950 122.831 119.800 0.136 0.000 2.372 245 Q HA 0.751 5.091 4.340 -0.000 0.000 0.273 245 Q C -0.902 175.205 176.000 0.179 0.000 1.078 245 Q CA -0.733 55.164 55.803 0.157 0.000 0.806 245 Q CB 2.678 31.456 28.738 0.067 0.000 1.332 245 Q HN 0.836 nan 8.270 nan 0.000 0.435 246 M N -0.566 119.131 119.600 0.163 0.000 2.598 246 M HA 0.796 5.276 4.480 -0.000 0.000 0.317 246 M C -1.331 174.922 176.300 -0.078 0.000 1.179 246 M CA -0.356 54.936 55.300 -0.014 0.000 0.936 246 M CB 2.069 34.530 32.600 -0.232 0.000 1.713 246 M HN 0.605 nan 8.290 nan 0.000 0.460 247 C N 1.616 120.854 119.300 -0.103 0.000 2.779 247 C HA 1.002 5.462 4.460 -0.000 0.000 0.314 247 C C 0.569 175.486 174.990 -0.123 0.000 1.231 247 C CA 0.912 59.876 59.018 -0.090 0.000 1.652 247 C CB 1.158 28.857 27.740 -0.068 0.000 2.198 247 C HN 1.544 nan 8.230 nan 0.000 0.483 248 G N 2.762 111.499 108.800 -0.105 0.000 2.760 248 G HA2 -0.120 3.840 3.960 -0.000 0.000 0.246 248 G HA3 -0.120 3.840 3.960 -0.000 0.000 0.246 248 G C -0.655 174.164 174.900 -0.134 0.000 1.359 248 G CA -0.374 44.662 45.100 -0.108 0.000 0.861 248 G HN 1.030 nan 8.290 nan 0.000 0.541 249 E N -0.487 119.642 120.200 -0.118 0.000 2.752 249 E HA 0.160 4.510 4.350 -0.000 0.000 0.241 249 E C 0.707 177.187 176.600 -0.200 0.000 1.016 249 E CA 0.227 56.549 56.400 -0.129 0.000 0.952 249 E CB 0.056 29.704 29.700 -0.087 0.000 0.921 249 E HN 0.484 nan 8.360 nan 0.000 0.515 250 L N 5.446 126.540 121.223 -0.216 0.000 2.313 250 L HA 0.228 4.568 4.340 -0.000 0.000 0.282 250 L C 0.273 176.971 176.870 -0.285 0.000 1.092 250 L CA 0.122 54.787 54.840 -0.292 0.000 0.831 250 L CB 0.223 42.141 42.059 -0.235 0.000 1.159 250 L HN 0.403 nan 8.230 nan 0.000 0.442 251 R N 1.919 122.169 120.500 -0.416 0.000 2.807 251 R HA 0.241 4.581 4.340 -0.000 0.000 0.276 251 R C -0.076 175.921 176.300 -0.505 0.000 0.979 251 R CA -0.744 55.038 56.100 -0.530 0.000 0.928 251 R CB 1.499 31.249 30.300 -0.916 0.000 1.191 251 R HN 0.596 nan 8.270 nan 0.000 0.471 252 D N 0.592 120.790 120.400 -0.337 0.000 2.363 252 D HA -0.125 4.515 4.640 -0.000 0.000 0.220 252 D C 1.086 177.296 176.300 -0.149 0.000 0.994 252 D CA 0.843 54.742 54.000 -0.168 0.000 0.890 252 D CB -0.126 40.646 40.800 -0.046 0.000 0.906 252 D HN 0.656 nan 8.370 nan 0.000 0.530 253 Y N -0.341 119.943 120.300 -0.027 0.000 2.457 253 Y HA 0.399 4.949 4.550 -0.000 0.000 0.263 253 Y C 0.527 176.394 175.900 -0.055 0.000 1.164 253 Y CA -1.160 56.920 58.100 -0.032 0.000 1.274 253 Y CB -0.667 37.777 38.460 -0.027 0.000 1.097 253 Y HN -0.236 nan 8.280 nan 0.000 0.523 254 L N 1.747 122.775 121.223 -0.325 0.000 2.417 254 L HA 0.500 4.840 4.340 -0.000 0.000 0.268 254 L C 0.187 177.023 176.870 -0.057 0.000 1.158 254 L CA -0.376 54.377 54.840 -0.146 0.000 0.819 254 L CB 0.484 42.431 42.059 -0.187 0.000 1.112 254 L HN 0.042 nan 8.230 nan 0.000 0.458 255 R N 0.680 121.067 120.500 -0.188 0.000 2.869 255 R HA 0.804 5.144 4.340 -0.000 0.000 0.263 255 R C -1.746 174.429 176.300 -0.209 0.000 1.066 255 R CA -0.732 55.209 56.100 -0.265 0.000 0.960 255 R CB 2.292 32.316 30.300 -0.460 0.000 1.221 255 R HN 0.298 nan 8.270 nan 0.000 0.474 256 V N 1.083 120.962 119.914 -0.058 0.000 2.567 256 V HA 0.447 4.567 4.120 -0.000 0.000 0.298 256 V C -1.071 175.090 176.094 0.112 0.000 1.047 256 V CA -0.641 61.685 62.300 0.043 0.000 0.880 256 V CB 2.162 33.874 31.823 -0.184 0.000 1.009 256 V HN 0.820 nan 8.190 nan 0.000 0.429 257 T N 4.252 118.920 114.554 0.190 0.000 2.823 257 T HA 0.661 5.011 4.350 -0.000 0.000 0.279 257 T C -0.472 174.221 174.700 -0.011 0.000 0.998 257 T CA -0.538 61.595 62.100 0.055 0.000 0.994 257 T CB 1.913 70.768 68.868 -0.022 0.000 0.960 257 T HN 0.299 nan 8.240 nan 0.000 0.448 258 V N 3.720 123.612 119.914 -0.036 0.000 2.380 258 V HA 0.455 4.575 4.120 -0.000 0.000 0.286 258 V C 0.136 176.192 176.094 -0.062 0.000 1.015 258 V CA -0.840 61.437 62.300 -0.040 0.000 0.834 258 V CB 1.365 33.166 31.823 -0.038 0.000 1.009 258 V HN 1.090 nan 8.190 nan 0.000 0.428 259 S N 5.430 121.101 115.700 -0.048 0.000 2.617 259 S HA 0.876 5.346 4.470 -0.000 0.000 0.283 259 S C -0.820 173.710 174.600 -0.115 0.000 1.189 259 S CA -0.738 57.373 58.200 -0.147 0.000 1.036 259 S CB 2.257 65.374 63.200 -0.137 0.000 1.014 259 S HN 0.570 nan 8.310 nan 0.000 0.522 260 L N 1.952 122.999 121.223 -0.294 0.000 2.409 260 L HA 0.754 5.094 4.340 -0.000 0.000 0.272 260 L C -1.905 174.813 176.870 -0.254 0.000 0.980 260 L CA -0.265 54.495 54.840 -0.132 0.000 0.826 260 L CB 1.081 43.091 42.059 -0.083 0.000 1.268 260 L HN 0.927 nan 8.230 nan 0.000 0.407 261 W N 2.748 124.105 121.300 0.094 0.000 2.804 261 W HA 0.707 5.367 4.660 -0.000 0.000 0.352 261 W C -0.650 176.060 176.519 0.317 0.000 1.153 261 W CA -0.458 56.968 57.345 0.135 0.000 1.119 261 W CB 1.321 30.832 29.460 0.085 0.000 1.448 261 W HN 0.474 nan 8.180 nan 0.000 0.600 262 Q N 1.356 121.497 119.800 0.568 0.000 3.147 262 Q HA 0.452 4.792 4.340 -0.000 0.000 0.224 262 Q C 0.293 176.441 176.000 0.247 0.000 0.901 262 Q CA 0.533 56.571 55.803 0.392 0.000 0.729 262 Q CB 0.557 29.538 28.738 0.406 0.000 1.363 262 Q HN 0.788 nan 8.270 nan 0.000 0.467 263 G N 2.534 111.439 108.800 0.174 0.000 2.609 263 G HA2 -0.344 3.616 3.960 -0.000 0.000 0.288 263 G HA3 -0.344 3.616 3.960 -0.000 0.000 0.288 263 G C 0.485 175.423 174.900 0.064 0.000 1.211 263 G CA 0.429 45.576 45.100 0.078 0.000 0.963 263 G HN 0.548 nan 8.290 nan 0.000 0.541 264 E N 0.546 120.805 120.200 0.099 0.000 2.473 264 E HA 0.180 4.530 4.350 -0.000 0.000 0.204 264 E C 0.424 177.240 176.600 0.359 0.000 0.994 264 E CA 0.374 56.818 56.400 0.073 0.000 0.945 264 E CB 0.562 30.270 29.700 0.015 0.000 0.990 264 E HN 0.363 nan 8.360 nan 0.000 0.493 265 T N 1.684 116.462 114.554 0.374 0.000 2.884 265 T HA 0.053 4.403 4.350 -0.000 0.000 0.298 265 T C -0.060 174.884 174.700 0.408 0.000 0.998 265 T CA 0.106 62.410 62.100 0.340 0.000 1.124 265 T CB 1.201 70.180 68.868 0.186 0.000 0.931 265 T HN 0.001 nan 8.240 nan 0.000 0.531 266 Q N 3.309 123.092 119.800 -0.028 0.000 2.349 266 Q HA 0.247 4.587 4.340 -0.000 0.000 0.254 266 Q C 0.579 176.365 176.000 -0.357 0.000 0.980 266 Q CA -0.437 54.907 55.803 -0.765 0.000 0.924 266 Q CB 0.759 28.788 28.738 -1.182 0.000 1.209 266 Q HN 0.563 nan 8.270 nan 0.000 0.445 267 V N 2.700 122.441 119.914 -0.289 0.000 2.446 267 V HA 0.152 4.272 4.120 -0.000 0.000 0.244 267 V C 0.481 176.449 176.094 -0.209 0.000 1.039 267 V CA 1.337 63.535 62.300 -0.171 0.000 1.045 267 V CB -0.037 31.715 31.823 -0.118 0.000 0.681 267 V HN 0.772 nan 8.190 nan 0.000 0.459 268 A N -1.380 121.275 122.820 -0.274 0.000 2.594 268 A HA 0.740 5.059 4.320 -0.000 0.000 0.296 268 A C -0.761 176.669 177.584 -0.257 0.000 1.061 268 A CA -0.210 51.694 52.037 -0.223 0.000 0.689 268 A CB 1.924 20.826 19.000 -0.163 0.000 1.280 268 A HN 0.014 nan 8.150 nan 0.000 0.406 269 S N -0.951 114.629 115.700 -0.199 0.000 2.632 269 S HA 0.927 5.397 4.470 -0.000 0.000 0.289 269 S C -0.331 174.201 174.600 -0.113 0.000 1.115 269 S CA 0.097 58.193 58.200 -0.174 0.000 0.889 269 S CB 2.018 65.109 63.200 -0.183 0.000 1.116 269 S HN 2.159 nan 8.310 nan 0.000 0.486 270 G N 1.120 109.867 108.800 -0.089 0.000 2.768 270 G HA2 0.565 4.525 3.960 -0.000 0.000 0.297 270 G HA3 0.565 4.525 3.960 -0.000 0.000 0.297 270 G C -1.488 173.388 174.900 -0.041 0.000 1.430 270 G CA -0.385 44.676 45.100 -0.065 0.000 1.030 270 G HN 0.651 nan 8.290 nan 0.000 0.553 271 T N -0.112 114.426 114.554 -0.027 0.000 2.893 271 T HA 0.909 5.259 4.350 -0.000 0.000 0.291 271 T C -0.253 174.431 174.700 -0.027 0.000 1.028 271 T CA -0.019 62.083 62.100 0.002 0.000 0.995 271 T CB 1.915 70.820 68.868 0.062 0.000 1.051 271 T HN 1.759 nan 8.240 nan 0.000 0.470 272 A N 2.910 125.702 122.820 -0.047 0.000 2.605 272 A HA 0.850 5.170 4.320 -0.000 0.000 0.294 272 A C -3.267 174.246 177.584 -0.118 0.000 1.062 272 A CA -1.474 50.513 52.037 -0.083 0.000 0.682 272 A CB 1.379 20.312 19.000 -0.112 0.000 1.278 272 A HN 0.526 nan 8.150 nan 0.000 0.410 273 P HA 0.656 nan 4.420 nan 0.000 0.287 273 P C -0.284 176.961 177.300 -0.091 0.000 1.279 273 P CA -0.504 62.570 63.100 -0.044 0.000 0.867 273 P CB 0.376 32.081 31.700 0.009 0.000 1.127 274 F N 0.849 120.757 119.950 -0.070 0.000 2.741 274 F HA 0.259 4.786 4.527 -0.000 0.000 0.303 274 F C 1.713 177.491 175.800 -0.037 0.000 1.178 274 F CA 2.225 60.193 58.000 -0.054 0.000 1.335 274 F CB -0.685 38.275 39.000 -0.066 0.000 1.082 274 F HN 0.632 nan 8.300 nan 0.000 0.622 275 G N 0.599 109.493 108.800 0.155 0.000 3.383 275 G HA2 0.341 4.301 3.960 -0.000 0.000 0.685 275 G HA3 0.341 4.301 3.960 -0.000 0.000 0.685 275 G C -0.251 174.661 174.900 0.020 0.000 1.104 275 G CA -0.640 44.507 45.100 0.079 0.000 0.957 275 G HN 1.112 nan 8.290 nan 0.000 0.461 276 G N 0.616 109.447 108.800 0.051 0.000 2.543 276 G HA2 0.734 4.694 3.960 -0.000 0.000 0.267 276 G HA3 0.734 4.694 3.960 -0.000 0.000 0.267 276 G C 0.136 175.049 174.900 0.022 0.000 1.406 276 G CA -0.387 44.735 45.100 0.036 0.000 1.048 276 G HN 0.798 nan 8.290 nan 0.000 0.548 277 E N -0.613 119.601 120.200 0.023 0.000 2.318 277 E HA 0.249 4.599 4.350 -0.000 0.000 0.265 277 E C -0.182 176.423 176.600 0.007 0.000 1.069 277 E CA -0.528 55.876 56.400 0.008 0.000 0.893 277 E CB 1.711 31.413 29.700 0.002 0.000 1.076 277 E HN 0.126 nan 8.360 nan 0.000 0.414 278 I N 3.295 123.860 120.570 -0.009 0.000 2.496 278 I HA -0.051 4.119 4.170 -0.000 0.000 0.285 278 I C 1.474 177.581 176.117 -0.017 0.000 1.080 278 I CA 0.341 61.628 61.300 -0.022 0.000 1.404 278 I CB 0.544 38.529 38.000 -0.025 0.000 1.403 278 I HN 0.643 nan 8.210 nan 0.000 0.539 279 I N 2.853 123.404 120.570 -0.032 0.000 3.172 279 I HA 0.166 4.336 4.170 -0.000 0.000 0.278 279 I C -0.046 176.055 176.117 -0.027 0.000 1.174 279 I CA 0.587 61.877 61.300 -0.016 0.000 1.445 279 I CB 0.442 38.452 38.000 0.017 0.000 1.175 279 I HN 0.535 nan 8.210 nan 0.000 0.447 280 D N 0.057 120.428 120.400 -0.048 0.000 2.626 280 D HA 0.172 4.811 4.640 -0.000 0.000 0.278 280 D C 0.150 176.423 176.300 -0.045 0.000 1.211 280 D CA -0.511 53.463 54.000 -0.042 0.000 0.903 280 D CB 0.602 41.377 40.800 -0.042 0.000 1.408 280 D HN -0.091 nan 8.370 nan 0.000 0.454 281 E N -0.800 119.379 120.200 -0.036 0.000 2.483 281 E HA -0.150 4.200 4.350 -0.000 0.000 0.205 281 E C 0.863 177.439 176.600 -0.040 0.000 1.075 281 E CA 1.027 57.408 56.400 -0.033 0.000 0.889 281 E CB -0.192 29.493 29.700 -0.026 0.000 0.816 281 E HN 0.270 nan 8.360 nan 0.000 0.567 282 R N -0.602 119.865 120.500 -0.055 0.000 2.508 282 R HA 0.338 4.678 4.340 -0.000 0.000 0.300 282 R C 0.675 176.929 176.300 -0.076 0.000 0.970 282 R CA 0.449 56.512 56.100 -0.062 0.000 1.102 282 R CB 1.177 31.436 30.300 -0.069 0.000 1.246 282 R HN 0.177 nan 8.270 nan 0.000 0.539 283 G N 0.010 108.764 108.800 -0.076 0.000 2.378 283 G HA2 -0.084 3.876 3.960 -0.000 0.000 0.198 283 G HA3 -0.084 3.876 3.960 -0.000 0.000 0.198 283 G C -0.420 174.411 174.900 -0.115 0.000 1.223 283 G CA -0.659 44.391 45.100 -0.083 0.000 1.088 283 G HN 0.387 nan 8.290 nan 0.000 0.530 284 G N -2.077 106.647 108.800 -0.126 0.000 3.105 284 G HA2 0.657 4.617 3.960 -0.000 0.000 0.277 284 G HA3 0.657 4.617 3.960 -0.000 0.000 0.277 284 G C -1.489 173.279 174.900 -0.220 0.000 1.375 284 G CA -0.737 44.275 45.100 -0.146 0.000 0.962 284 G HN 0.799 nan 8.290 nan 0.000 0.541 285 Y N 1.227 121.529 120.300 0.004 0.000 2.504 285 Y HA 0.411 4.961 4.550 -0.000 0.000 0.351 285 Y C 1.551 177.477 175.900 0.043 0.000 0.988 285 Y CA 0.178 58.289 58.100 0.019 0.000 1.239 285 Y CB 1.448 39.921 38.460 0.022 0.000 1.128 285 Y HN 0.561 nan 8.280 nan 0.000 0.525 286 A N 2.140 125.040 122.820 0.134 0.000 1.933 286 A HA -0.183 4.137 4.320 -0.000 0.000 0.218 286 A C 1.092 178.782 177.584 0.177 0.000 1.175 286 A CA 1.650 53.750 52.037 0.105 0.000 0.628 286 A CB -0.367 18.651 19.000 0.029 0.000 0.814 286 A HN 0.767 nan 8.150 nan 0.000 0.444 287 D N -0.784 119.728 120.400 0.187 0.000 3.139 287 D HA 0.408 5.048 4.640 -0.000 0.000 0.268 287 D C 0.187 176.714 176.300 0.378 0.000 1.322 287 D CA -0.174 53.925 54.000 0.165 0.000 0.940 287 D CB -0.143 40.679 40.800 0.038 0.000 1.050 287 D HN 0.371 nan 8.370 nan 0.000 0.503 288 R N -0.957 119.865 120.500 0.535 0.000 2.741 288 R HA 0.669 5.009 4.340 -0.000 0.000 0.276 288 R C -2.029 174.239 176.300 -0.054 0.000 1.028 288 R CA -1.169 55.072 56.100 0.235 0.000 0.865 288 R CB 2.369 32.706 30.300 0.062 0.000 1.268 288 R HN 0.029 nan 8.270 nan 0.000 0.475 289 V N 0.294 120.081 119.914 -0.212 0.000 2.851 289 V HA 0.386 4.506 4.120 -0.000 0.000 0.290 289 V C -1.734 174.240 176.094 -0.201 0.000 1.330 289 V CA -0.241 61.889 62.300 -0.282 0.000 0.944 289 V CB 2.291 33.799 31.823 -0.526 0.000 1.090 289 V HN 0.774 nan 8.190 nan 0.000 0.436 290 T N 8.281 122.748 114.554 -0.145 0.000 2.770 290 T HA 0.668 5.018 4.350 -0.000 0.000 0.297 290 T C -0.233 174.404 174.700 -0.106 0.000 0.997 290 T CA -0.123 61.907 62.100 -0.116 0.000 0.949 290 T CB 0.847 69.659 68.868 -0.093 0.000 0.941 290 T HN 0.560 nan 8.240 nan 0.000 0.457 291 L N 3.194 124.358 121.223 -0.098 0.000 2.454 291 L HA 0.622 4.962 4.340 -0.000 0.000 0.256 291 L C 0.796 177.622 176.870 -0.073 0.000 1.136 291 L CA -0.509 54.279 54.840 -0.086 0.000 0.804 291 L CB 0.611 42.620 42.059 -0.082 0.000 1.181 291 L HN 0.430 nan 8.230 nan 0.000 0.469 292 R N 1.717 122.175 120.500 -0.070 0.000 2.631 292 R HA 0.483 4.823 4.340 -0.000 0.000 0.289 292 R C -1.724 174.535 176.300 -0.068 0.000 1.303 292 R CA -0.418 55.641 56.100 -0.069 0.000 0.989 292 R CB 0.933 31.193 30.300 -0.067 0.000 1.208 292 R HN 0.431 nan 8.270 nan 0.000 0.461 293 L N 2.208 123.390 121.223 -0.068 0.000 2.282 293 L HA 0.432 4.772 4.340 -0.000 0.000 0.288 293 L C 0.216 177.050 176.870 -0.061 0.000 1.033 293 L CA -0.890 53.909 54.840 -0.068 0.000 0.807 293 L CB 1.171 43.186 42.059 -0.073 0.000 1.209 293 L HN 0.411 nan 8.230 nan 0.000 0.423 294 N N 2.049 120.709 118.700 -0.066 0.000 2.529 294 N HA 0.414 5.154 4.740 -0.000 0.000 0.278 294 N C -0.964 174.502 175.510 -0.075 0.000 1.146 294 N CA -0.106 52.906 53.050 -0.063 0.000 0.980 294 N CB 2.378 40.829 38.487 -0.060 0.000 1.124 294 N HN 0.245 nan 8.380 nan 0.000 0.458 295 V N 1.866 121.735 119.914 -0.074 0.000 2.569 295 V HA 0.283 4.403 4.120 -0.000 0.000 0.301 295 V C -0.251 175.782 176.094 -0.103 0.000 1.044 295 V CA -0.840 61.383 62.300 -0.128 0.000 0.874 295 V CB 1.987 33.674 31.823 -0.227 0.000 1.002 295 V HN 0.559 nan 8.190 nan 0.000 0.424 296 E N 3.201 123.347 120.200 -0.090 0.000 2.231 296 E HA 0.381 4.731 4.350 -0.000 0.000 0.277 296 E C -0.359 176.218 176.600 -0.037 0.000 0.999 296 E CA -0.687 55.685 56.400 -0.046 0.000 0.827 296 E CB 0.731 30.413 29.700 -0.030 0.000 1.101 296 E HN 0.712 nan 8.360 nan 0.000 0.393 297 N N 2.452 121.153 118.700 0.002 0.000 2.652 297 N HA -0.126 4.614 4.740 -0.000 0.000 0.281 297 N C -2.499 173.013 175.510 0.003 0.000 1.084 297 N CA 0.353 53.418 53.050 0.024 0.000 0.775 297 N CB -1.066 37.435 38.487 0.023 0.000 0.923 297 N HN 0.325 nan 8.380 nan 0.000 0.558 298 P HA 0.223 nan 4.420 nan 0.000 0.279 298 P C -0.119 177.197 177.300 0.027 0.000 1.252 298 P CA -0.216 62.817 63.100 -0.112 0.000 0.811 298 P CB 1.006 32.455 31.700 -0.418 0.000 1.035 299 K N 1.663 122.113 120.400 0.083 0.000 2.267 299 K HA 0.330 4.650 4.320 -0.000 0.000 0.282 299 K C 0.089 176.769 176.600 0.133 0.000 1.078 299 K CA -0.389 55.934 56.287 0.061 0.000 0.903 299 K CB 0.115 32.598 32.500 -0.028 0.000 1.111 299 K HN 0.379 nan 8.250 nan 0.000 0.475 300 L N 2.425 123.706 121.223 0.097 0.000 2.452 300 L HA 0.220 4.560 4.340 -0.000 0.000 0.267 300 L C 0.147 177.106 176.870 0.148 0.000 1.188 300 L CA -0.369 54.551 54.840 0.133 0.000 0.821 300 L CB 0.323 42.316 42.059 -0.110 0.000 1.102 300 L HN 0.655 nan 8.230 nan 0.000 0.470 301 W N 2.460 123.767 121.300 0.013 0.000 2.512 301 W HA 0.505 5.165 4.660 -0.000 0.000 0.335 301 W C -0.365 176.113 176.519 -0.069 0.000 1.088 301 W CA -0.092 57.252 57.345 -0.001 0.000 1.236 301 W CB 1.517 31.027 29.460 0.084 0.000 1.307 301 W HN 0.652 nan 8.180 nan 0.000 0.567 302 S N 2.327 117.663 115.700 -0.607 0.000 2.636 302 S HA 0.588 5.058 4.470 -0.000 0.000 0.268 302 S C -0.141 173.704 174.600 -1.259 0.000 1.159 302 S CA -0.371 57.462 58.200 -0.613 0.000 0.815 302 S CB 1.070 64.185 63.200 -0.141 0.000 1.130 302 S HN 0.974 nan 8.310 nan 0.000 0.471 303 A N 0.166 122.472 122.820 -0.857 0.000 2.067 303 A HA 0.140 4.460 4.320 -0.000 0.000 0.217 303 A C 1.635 178.912 177.584 -0.513 0.000 1.156 303 A CA 1.012 52.514 52.037 -0.892 0.000 0.683 303 A CB -0.796 17.531 19.000 -1.122 0.000 0.808 303 A HN 0.835 nan 8.150 nan 0.000 0.455 304 E N -0.283 119.735 120.200 -0.304 0.000 2.152 304 E HA 0.007 4.357 4.350 -0.000 0.000 0.192 304 E C -0.182 176.290 176.600 -0.213 0.000 0.983 304 E CA 0.711 56.991 56.400 -0.200 0.000 0.818 304 E CB 0.012 29.666 29.700 -0.076 0.000 0.758 304 E HN 0.595 nan 8.360 nan 0.000 0.467 305 I N 0.358 120.764 120.570 -0.273 0.000 2.588 305 I HA 0.165 4.335 4.170 -0.000 0.000 0.278 305 I C -2.758 173.131 176.117 -0.381 0.000 1.144 305 I CA -1.900 59.257 61.300 -0.238 0.000 1.074 305 I CB 1.590 39.503 38.000 -0.145 0.000 1.235 305 I HN -0.243 nan 8.210 nan 0.000 0.472 306 P HA 0.088 nan 4.420 nan 0.000 0.228 306 P C -0.114 177.117 177.300 -0.115 0.000 1.748 306 P CA -0.197 62.567 63.100 -0.560 0.000 0.909 306 P CB -0.312 31.180 31.700 -0.348 0.000 1.882 307 N N 1.360 120.018 118.700 -0.069 0.000 2.386 307 N HA 0.012 4.752 4.740 -0.000 0.000 0.273 307 N C 0.009 175.608 175.510 0.149 0.000 1.331 307 N CA 0.828 53.883 53.050 0.008 0.000 0.891 307 N CB 0.098 38.583 38.487 -0.003 0.000 1.139 307 N HN 0.300 nan 8.380 nan 0.000 0.487 308 L N 2.704 123.948 121.223 0.034 0.000 2.333 308 L HA 0.506 4.846 4.340 -0.000 0.000 0.269 308 L C -0.661 176.153 176.870 -0.094 0.000 1.010 308 L CA -0.896 54.003 54.840 0.100 0.000 0.818 308 L CB 1.209 43.355 42.059 0.146 0.000 1.306 308 L HN 0.377 nan 8.230 nan 0.000 0.430 309 Y N 0.218 120.657 120.300 0.232 0.000 2.562 309 Y HA 0.579 5.129 4.550 -0.000 0.000 0.343 309 Y C -0.233 175.789 175.900 0.203 0.000 1.025 309 Y CA -0.742 57.496 58.100 0.230 0.000 1.082 309 Y CB 2.056 40.702 38.460 0.310 0.000 1.264 309 Y HN 0.399 nan 8.280 nan 0.000 0.478 310 R N 1.171 121.931 120.500 0.434 0.000 2.589 310 R HA 0.881 5.221 4.340 -0.000 0.000 0.293 310 R C -1.579 174.935 176.300 0.356 0.000 0.963 310 R CA -0.699 55.587 56.100 0.310 0.000 0.905 310 R CB 1.187 31.588 30.300 0.168 0.000 1.144 310 R HN 0.796 nan 8.270 nan 0.000 0.459 311 A N 3.605 126.584 122.820 0.264 0.000 2.356 311 A HA 0.609 4.929 4.320 -0.000 0.000 0.310 311 A C -1.245 176.452 177.584 0.188 0.000 1.075 311 A CA -0.650 51.527 52.037 0.234 0.000 0.746 311 A CB 1.589 20.702 19.000 0.189 0.000 1.221 311 A HN 0.446 nan 8.150 nan 0.000 0.443 312 V N 1.693 121.717 119.914 0.183 0.000 2.628 312 V HA 0.630 4.750 4.120 -0.000 0.000 0.306 312 V C -0.407 175.701 176.094 0.023 0.000 1.045 312 V CA -0.730 61.627 62.300 0.096 0.000 0.905 312 V CB 1.701 33.592 31.823 0.113 0.000 0.997 312 V HN 0.614 nan 8.190 nan 0.000 0.436 313 V N 3.965 123.845 119.914 -0.056 0.000 2.376 313 V HA 0.436 4.556 4.120 -0.000 0.000 0.287 313 V C -0.225 175.826 176.094 -0.071 0.000 1.015 313 V CA -0.503 61.723 62.300 -0.124 0.000 0.834 313 V CB 1.457 33.069 31.823 -0.353 0.000 1.001 313 V HN 1.051 nan 8.190 nan 0.000 0.428 314 E N 5.078 125.265 120.200 -0.021 0.000 2.171 314 E HA 0.586 4.936 4.350 -0.000 0.000 0.271 314 E C -1.037 175.654 176.600 0.152 0.000 0.916 314 E CA -1.034 55.382 56.400 0.027 0.000 0.774 314 E CB 2.827 32.506 29.700 -0.035 0.000 1.128 314 E HN 0.421 nan 8.360 nan 0.000 0.403 315 L N 5.183 126.494 121.223 0.146 0.000 2.272 315 L HA 0.255 4.595 4.340 -0.000 0.000 0.284 315 L C -0.875 176.149 176.870 0.257 0.000 1.045 315 L CA -0.042 54.908 54.840 0.185 0.000 0.842 315 L CB -0.133 41.971 42.059 0.075 0.000 1.224 315 L HN 0.647 nan 8.230 nan 0.000 0.430 316 H N 1.107 120.215 119.070 0.064 0.000 2.931 316 H HA 0.675 5.231 4.556 -0.000 0.000 0.331 316 H C -0.896 174.498 175.328 0.111 0.000 1.273 316 H CA -0.482 55.610 56.048 0.074 0.000 1.171 316 H CB 0.653 30.449 29.762 0.057 0.000 1.898 316 H HN 0.408 nan 8.280 nan 0.000 0.562 317 T N -2.523 112.083 114.554 0.088 0.000 2.909 317 T HA 0.504 4.854 4.350 -0.000 0.000 0.286 317 T C 1.553 176.309 174.700 0.093 0.000 1.002 317 T CA -0.212 61.956 62.100 0.113 0.000 1.074 317 T CB 1.477 70.452 68.868 0.178 0.000 0.984 317 T HN 0.797 nan 8.240 nan 0.000 0.495 318 A N 2.273 125.149 122.820 0.093 0.000 1.954 318 A HA -0.275 4.045 4.320 -0.000 0.000 0.222 318 A C 1.893 179.536 177.584 0.098 0.000 1.199 318 A CA 2.521 54.610 52.037 0.086 0.000 0.657 318 A CB -1.372 17.688 19.000 0.099 0.000 0.823 318 A HN 1.055 nan 8.150 nan 0.000 0.463 319 D N -2.373 118.072 120.400 0.076 0.000 2.350 319 D HA 0.238 4.878 4.640 -0.000 0.000 0.216 319 D C 1.236 177.587 176.300 0.086 0.000 0.968 319 D CA 1.374 55.406 54.000 0.054 0.000 0.894 319 D CB -0.640 40.166 40.800 0.009 0.000 0.909 319 D HN 1.127 nan 8.370 nan 0.000 0.520 320 G N -1.404 107.494 108.800 0.163 0.000 2.159 320 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.227 320 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.227 320 G C 0.314 175.302 174.900 0.147 0.000 0.986 320 G CA 0.196 45.405 45.100 0.183 0.000 0.651 320 G HN 0.471 nan 8.290 nan 0.000 0.523 321 T N 1.242 115.881 114.554 0.142 0.000 2.832 321 T HA 0.487 4.837 4.350 -0.000 0.000 0.296 321 T C 0.583 175.382 174.700 0.164 0.000 0.968 321 T CA -0.079 62.087 62.100 0.109 0.000 1.107 321 T CB 1.374 70.281 68.868 0.066 0.000 0.916 321 T HN 0.580 nan 8.240 nan 0.000 0.517 322 L N 4.539 125.833 121.223 0.118 0.000 2.367 322 L HA 0.299 4.639 4.340 -0.000 0.000 0.275 322 L C 0.401 177.336 176.870 0.109 0.000 1.129 322 L CA -0.331 54.584 54.840 0.125 0.000 0.839 322 L CB 0.420 42.518 42.059 0.065 0.000 1.133 322 L HN 0.614 nan 8.230 nan 0.000 0.453 323 I N 3.188 123.828 120.570 0.116 0.000 2.810 323 I HA 0.176 4.346 4.170 -0.000 0.000 0.262 323 I C 0.312 176.459 176.117 0.049 0.000 1.131 323 I CA 0.669 62.013 61.300 0.073 0.000 1.453 323 I CB 0.001 38.034 38.000 0.055 0.000 1.161 323 I HN 0.801 nan 8.210 nan 0.000 0.444 324 E N -0.392 119.839 120.200 0.052 0.000 2.405 324 E HA 0.595 4.945 4.350 -0.000 0.000 0.283 324 E C -1.764 174.864 176.600 0.047 0.000 1.140 324 E CA -0.822 55.604 56.400 0.043 0.000 0.904 324 E CB 0.649 30.338 29.700 -0.019 0.000 1.209 324 E HN -0.048 nan 8.360 nan 0.000 0.428 325 A N 1.819 124.699 122.820 0.101 0.000 2.387 325 A HA 0.874 5.194 4.320 -0.000 0.000 0.303 325 A C -0.901 176.797 177.584 0.190 0.000 1.145 325 A CA -0.580 51.520 52.037 0.105 0.000 0.801 325 A CB 1.767 20.833 19.000 0.110 0.000 1.342 325 A HN 0.559 nan 8.150 nan 0.000 0.440 326 E N -1.239 119.032 120.200 0.118 0.000 2.413 326 E HA 0.734 5.084 4.350 -0.000 0.000 0.277 326 E C -0.800 175.885 176.600 0.143 0.000 0.958 326 E CA -0.352 56.165 56.400 0.195 0.000 0.779 326 E CB 2.340 31.972 29.700 -0.114 0.000 1.278 326 E HN 1.216 nan 8.360 nan 0.000 0.456 327 A N -0.016 123.006 122.820 0.337 0.000 2.536 327 A HA 0.854 5.174 4.320 -0.000 0.000 0.293 327 A C -1.210 176.593 177.584 0.365 0.000 1.119 327 A CA -0.160 52.017 52.037 0.233 0.000 0.654 327 A CB 0.943 19.976 19.000 0.055 0.000 1.291 327 A HN 1.046 nan 8.150 nan 0.000 0.439 328 C N -0.961 118.504 119.300 0.275 0.000 3.231 328 C HA 0.726 5.186 4.460 -0.000 0.000 0.343 328 C C -1.966 173.133 174.990 0.182 0.000 1.349 328 C CA -0.934 58.232 59.018 0.247 0.000 1.209 328 C CB 0.884 28.785 27.740 0.268 0.000 1.475 328 C HN 0.860 nan 8.230 nan 0.000 0.460 329 D N 1.066 121.551 120.400 0.142 0.000 2.177 329 D HA 0.620 5.260 4.640 -0.000 0.000 0.247 329 D C -0.443 175.924 176.300 0.110 0.000 1.063 329 D CA 0.008 54.094 54.000 0.143 0.000 0.867 329 D CB 2.138 43.018 40.800 0.134 0.000 1.168 329 D HN 0.562 nan 8.370 nan 0.000 0.445 330 V N 0.493 120.504 119.914 0.161 0.000 2.769 330 V HA 0.754 4.874 4.120 -0.000 0.000 0.312 330 V C 0.394 176.588 176.094 0.166 0.000 1.061 330 V CA -0.782 61.572 62.300 0.091 0.000 0.931 330 V CB 2.307 34.187 31.823 0.095 0.000 1.010 330 V HN 0.699 nan 8.190 nan 0.000 0.433 331 G N 1.697 110.494 108.800 -0.005 0.000 2.666 331 G HA2 0.621 4.581 3.960 -0.000 0.000 0.303 331 G HA3 0.621 4.581 3.960 -0.000 0.000 0.303 331 G C -1.273 173.693 174.900 0.109 0.000 1.412 331 G CA -0.408 44.742 45.100 0.083 0.000 0.979 331 G HN 0.372 nan 8.290 nan 0.000 0.507 332 F N 2.435 122.556 119.950 0.285 0.000 2.439 332 F HA 0.491 5.018 4.527 -0.000 0.000 0.356 332 F C 1.057 177.075 175.800 0.364 0.000 1.161 332 F CA -0.220 58.016 58.000 0.393 0.000 1.151 332 F CB 0.656 39.947 39.000 0.484 0.000 1.222 332 F HN 0.516 nan 8.300 nan 0.000 0.558 333 R N 0.899 121.655 120.500 0.426 0.000 2.663 333 R HA 0.465 4.805 4.340 -0.000 0.000 0.267 333 R C -1.588 174.804 176.300 0.154 0.000 1.038 333 R CA -1.063 55.132 56.100 0.158 0.000 0.886 333 R CB 1.415 31.805 30.300 0.150 0.000 1.249 333 R HN 0.387 nan 8.270 nan 0.000 0.463 334 E N 1.991 122.182 120.200 -0.015 0.000 2.114 334 E HA 0.336 4.686 4.350 -0.000 0.000 0.266 334 E C -1.077 175.556 176.600 0.055 0.000 0.896 334 E CA -0.885 55.576 56.400 0.103 0.000 0.750 334 E CB 1.649 31.436 29.700 0.145 0.000 1.121 334 E HN 0.450 nan 8.360 nan 0.000 0.413 335 V N 5.545 125.491 119.914 0.054 0.000 2.383 335 V HA 0.526 4.646 4.120 -0.000 0.000 0.275 335 V C 0.155 176.270 176.094 0.036 0.000 1.036 335 V CA -0.473 61.838 62.300 0.020 0.000 0.889 335 V CB 0.936 32.752 31.823 -0.012 0.000 0.985 335 V HN 0.638 nan 8.190 nan 0.000 0.459 336 R N 4.734 125.254 120.500 0.034 0.000 2.680 336 R HA 0.618 4.958 4.340 -0.000 0.000 0.269 336 R C -2.013 174.307 176.300 0.032 0.000 1.026 336 R CA -0.822 55.303 56.100 0.042 0.000 0.889 336 R CB 1.969 32.307 30.300 0.064 0.000 1.241 336 R HN 0.648 nan 8.270 nan 0.000 0.463 337 I N 2.533 123.123 120.570 0.033 0.000 2.330 337 I HA 0.344 4.514 4.170 -0.000 0.000 0.289 337 I C -0.542 175.594 176.117 0.032 0.000 1.001 337 I CA -0.473 60.843 61.300 0.028 0.000 1.193 337 I CB 1.675 39.692 38.000 0.029 0.000 1.345 337 I HN 0.631 nan 8.210 nan 0.000 0.461 338 E N 6.453 126.671 120.200 0.029 0.000 2.241 338 E HA 0.245 4.595 4.350 -0.000 0.000 0.263 338 E C -0.441 176.174 176.600 0.024 0.000 0.882 338 E CA -0.510 55.908 56.400 0.030 0.000 0.769 338 E CB 0.964 30.686 29.700 0.037 0.000 1.185 338 E HN 0.578 nan 8.360 nan 0.000 0.415 339 N N 3.259 121.973 118.700 0.022 0.000 2.758 339 N HA -0.184 4.556 4.740 -0.000 0.000 0.248 339 N C 0.274 175.793 175.510 0.014 0.000 1.076 339 N CA 1.614 54.675 53.050 0.018 0.000 0.696 339 N CB -1.253 37.244 38.487 0.017 0.000 0.979 339 N HN 0.964 nan 8.380 nan 0.000 0.550 340 G N -1.170 107.639 108.800 0.014 0.000 2.198 340 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.260 340 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.260 340 G C -0.204 174.696 174.900 0.000 0.000 1.025 340 G CA 0.592 45.697 45.100 0.008 0.000 0.769 340 G HN 0.510 nan 8.290 nan 0.000 0.507 341 L N -0.333 120.891 121.223 0.002 0.000 2.441 341 L HA 0.508 4.848 4.340 -0.000 0.000 0.270 341 L C 0.158 177.025 176.870 -0.006 0.000 0.973 341 L CA -1.342 53.494 54.840 -0.007 0.000 0.842 341 L CB 1.785 43.842 42.059 -0.004 0.000 1.239 341 L HN 0.068 nan 8.230 nan 0.000 0.406 342 L N 4.682 125.892 121.223 -0.022 0.000 2.562 342 L HA 0.227 4.567 4.340 -0.000 0.000 0.271 342 L C -0.583 176.274 176.870 -0.022 0.000 1.167 342 L CA 0.901 55.726 54.840 -0.024 0.000 0.917 342 L CB 0.016 42.046 42.059 -0.048 0.000 1.187 342 L HN 0.435 nan 8.230 nan 0.000 0.482 343 L N 5.855 127.077 121.223 -0.002 0.000 2.334 343 L HA 0.581 4.921 4.340 -0.000 0.000 0.270 343 L C -0.641 176.234 176.870 0.009 0.000 1.018 343 L CA -0.808 54.040 54.840 0.013 0.000 0.811 343 L CB 1.831 43.916 42.059 0.042 0.000 1.271 343 L HN 0.563 nan 8.230 nan 0.000 0.443 344 L N 2.483 123.728 121.223 0.036 0.000 2.441 344 L HA 0.434 4.774 4.340 -0.000 0.000 0.270 344 L C -0.685 176.181 176.870 -0.006 0.000 0.973 344 L CA -0.307 54.551 54.840 0.030 0.000 0.842 344 L CB 0.982 43.069 42.059 0.046 0.000 1.239 344 L HN 0.665 nan 8.230 nan 0.000 0.406 345 N N 3.866 122.436 118.700 -0.218 0.000 2.721 345 N HA -0.217 4.523 4.740 -0.000 0.000 0.249 345 N C 0.849 176.047 175.510 -0.521 0.000 1.072 345 N CA 1.450 54.090 53.050 -0.683 0.000 0.710 345 N CB -1.175 36.733 38.487 -0.965 0.000 0.993 345 N HN 1.171 nan 8.380 nan 0.000 0.547 346 G N -2.148 106.603 108.800 -0.082 0.000 2.299 346 G HA2 -0.339 3.621 3.960 -0.000 0.000 0.237 346 G HA3 -0.339 3.621 3.960 -0.000 0.000 0.237 346 G C -0.013 174.937 174.900 0.084 0.000 1.027 346 G CA 0.685 45.837 45.100 0.086 0.000 0.619 346 G HN 0.351 nan 8.290 nan 0.000 0.513 347 K N 1.673 122.139 120.400 0.110 0.000 2.130 347 K HA 0.524 4.844 4.320 -0.000 0.000 0.268 347 K C -2.683 173.937 176.600 0.032 0.000 0.983 347 K CA -2.318 54.009 56.287 0.066 0.000 0.893 347 K CB 1.874 34.394 32.500 0.033 0.000 1.066 347 K HN 0.153 nan 8.250 nan 0.000 0.450 348 P HA 0.181 nan 4.420 nan 0.000 0.280 348 P C 0.094 177.362 177.300 -0.054 0.000 1.300 348 P CA -0.235 62.849 63.100 -0.026 0.000 0.785 348 P CB 0.398 32.083 31.700 -0.025 0.000 0.874 349 L N 3.453 124.639 121.223 -0.061 0.000 2.479 349 L HA 0.114 4.454 4.340 -0.000 0.000 0.270 349 L C 0.789 177.616 176.870 -0.071 0.000 1.236 349 L CA -0.115 54.679 54.840 -0.077 0.000 0.823 349 L CB 0.142 42.126 42.059 -0.124 0.000 1.098 349 L HN 0.262 nan 8.230 nan 0.000 0.500 350 L N 3.243 124.445 121.223 -0.035 0.000 2.454 350 L HA 0.369 4.709 4.340 -0.000 0.000 0.258 350 L C -0.355 176.529 176.870 0.023 0.000 1.025 350 L CA -0.196 54.638 54.840 -0.010 0.000 0.901 350 L CB 0.774 42.879 42.059 0.077 0.000 1.210 350 L HN 0.230 nan 8.230 nan 0.000 0.457 351 I N 4.183 124.692 120.570 -0.102 0.000 2.483 351 I HA 0.091 4.261 4.170 -0.000 0.000 0.291 351 I C 0.626 176.718 176.117 -0.042 0.000 1.112 351 I CA 0.295 61.516 61.300 -0.132 0.000 1.350 351 I CB -0.054 37.760 38.000 -0.310 0.000 1.419 351 I HN 0.530 nan 8.210 nan 0.000 0.523 352 R N 4.608 125.176 120.500 0.113 0.000 3.436 352 R HA 0.402 4.742 4.340 -0.000 0.000 0.247 352 R C 0.567 177.002 176.300 0.225 0.000 1.434 352 R CA -0.229 56.008 56.100 0.229 0.000 1.543 352 R CB 0.815 31.104 30.300 -0.018 0.000 1.289 352 R HN 0.775 nan 8.270 nan 0.000 0.664 353 G N -0.248 108.562 108.800 0.016 0.000 2.597 353 G HA2 0.564 4.524 3.960 -0.000 0.000 0.317 353 G HA3 0.564 4.524 3.960 -0.000 0.000 0.317 353 G C -1.361 173.686 174.900 0.246 0.000 1.230 353 G CA -0.455 44.597 45.100 -0.079 0.000 0.996 353 G HN 0.201 nan 8.290 nan 0.000 0.490 354 V N 0.316 120.364 119.914 0.224 0.000 2.711 354 V HA 0.382 4.502 4.120 -0.000 0.000 0.304 354 V C -0.528 175.645 176.094 0.130 0.000 1.097 354 V CA -1.118 61.247 62.300 0.107 0.000 0.906 354 V CB 1.399 33.028 31.823 -0.324 0.000 1.015 354 V HN 0.855 nan 8.190 nan 0.000 0.427 355 N N 5.647 124.410 118.700 0.105 0.000 2.453 355 N HA 0.330 5.070 4.740 -0.000 0.000 0.253 355 N C -0.416 174.935 175.510 -0.266 0.000 1.252 355 N CA -0.275 52.715 53.050 -0.101 0.000 0.917 355 N CB 0.692 39.092 38.487 -0.144 0.000 1.117 355 N HN 0.669 nan 8.380 nan 0.000 0.442 356 R N 1.704 122.015 120.500 -0.315 0.000 2.605 356 R HA 0.159 4.498 4.340 -0.000 0.000 0.291 356 R C -1.423 174.695 176.300 -0.304 0.000 1.226 356 R CA -0.513 55.426 56.100 -0.268 0.000 0.981 356 R CB 0.451 30.572 30.300 -0.299 0.000 1.215 356 R HN 0.643 nan 8.270 nan 0.000 0.428 357 H N 1.416 120.338 119.070 -0.247 0.000 2.597 357 H HA 0.138 4.694 4.556 -0.000 0.000 0.370 357 H C -0.262 175.058 175.328 -0.014 0.000 1.281 357 H CA 0.573 56.569 56.048 -0.088 0.000 1.422 357 H CB 1.028 30.803 29.762 0.021 0.000 1.524 357 H HN 0.471 nan 8.280 nan 0.000 0.607 358 E N 1.353 121.704 120.200 0.252 0.000 2.035 358 E HA 0.189 4.539 4.350 -0.000 0.000 0.271 358 E C -0.985 175.768 176.600 0.254 0.000 0.953 358 E CA -0.379 56.109 56.400 0.148 0.000 0.777 358 E CB 0.843 30.592 29.700 0.081 0.000 1.104 358 E HN 0.444 nan 8.360 nan 0.000 0.408 359 H N 1.762 120.901 119.070 0.115 0.000 2.679 359 H HA 0.284 4.840 4.556 -0.000 0.000 0.360 359 H C -1.657 173.732 175.328 0.102 0.000 1.105 359 H CA -0.644 55.469 56.048 0.108 0.000 1.196 359 H CB 1.216 31.028 29.762 0.083 0.000 1.636 359 H HN 0.495 nan 8.280 nan 0.000 0.531 360 H N 5.886 124.452 119.070 -0.839 0.000 2.689 360 H HA 0.208 4.764 4.556 -0.000 0.000 0.346 360 H C -2.259 172.573 175.328 -0.827 0.000 1.037 360 H CA -2.339 53.332 56.048 -0.628 0.000 1.234 360 H CB 2.519 32.109 29.762 -0.288 0.000 1.572 360 H HN 0.526 nan 8.280 nan 0.000 0.524 361 P HA -0.097 nan 4.420 nan 0.000 0.216 361 P C 1.295 178.378 177.300 -0.363 0.000 1.150 361 P CA 0.983 63.753 63.100 -0.551 0.000 0.837 361 P CB 0.605 32.033 31.700 -0.454 0.000 0.786 362 L N -2.581 118.434 121.223 -0.348 0.000 2.316 362 L HA 0.074 4.414 4.340 -0.000 0.000 0.207 362 L C 2.181 179.188 176.870 0.229 0.000 1.070 362 L CA 0.788 55.624 54.840 -0.006 0.000 0.820 362 L CB -0.642 41.374 42.059 -0.072 0.000 0.992 362 L HN 0.028 nan 8.230 nan 0.000 0.466 363 H N -0.837 118.561 119.070 0.547 0.000 2.553 363 H HA 0.250 4.806 4.556 -0.000 0.000 0.265 363 H C 1.470 176.776 175.328 -0.038 0.000 0.964 363 H CA 0.077 56.147 56.048 0.037 0.000 1.156 363 H CB 0.406 30.018 29.762 -0.249 0.000 1.411 363 H HN 0.390 nan 8.280 nan 0.000 0.558 364 G N 1.628 110.440 108.800 0.019 0.000 2.536 364 G HA2 -0.372 3.588 3.960 -0.000 0.000 0.277 364 G HA3 -0.372 3.588 3.960 -0.000 0.000 0.277 364 G C 0.430 175.332 174.900 0.004 0.000 1.155 364 G CA 0.221 45.286 45.100 -0.059 0.000 0.960 364 G HN 0.460 nan 8.290 nan 0.000 0.544 365 Q N 0.139 119.928 119.800 -0.019 0.000 2.212 365 Q HA 0.488 4.828 4.340 -0.000 0.000 0.213 365 Q C 0.010 176.088 176.000 0.129 0.000 0.874 365 Q CA -0.091 55.724 55.803 0.020 0.000 0.965 365 Q CB 1.162 29.818 28.738 -0.136 0.000 1.074 365 Q HN 0.363 nan 8.270 nan 0.000 0.473 366 V N 2.049 122.029 119.914 0.110 0.000 2.348 366 V HA 0.223 4.343 4.120 -0.000 0.000 0.270 366 V C 0.147 176.273 176.094 0.053 0.000 1.037 366 V CA -0.248 62.114 62.300 0.103 0.000 0.872 366 V CB 0.718 32.564 31.823 0.039 0.000 1.002 366 V HN 0.381 nan 8.190 nan 0.000 0.464 367 M N 4.381 124.001 119.600 0.032 0.000 2.371 367 M HA 0.544 5.024 4.480 -0.000 0.000 0.301 367 M C -0.238 175.988 176.300 -0.123 0.000 1.173 367 M CA -0.262 55.004 55.300 -0.057 0.000 1.020 367 M CB 1.371 33.892 32.600 -0.131 0.000 1.490 367 M HN 0.966 nan 8.290 nan 0.000 0.485 368 D N -2.137 118.192 120.400 -0.118 0.000 2.622 368 D HA 0.226 4.866 4.640 -0.000 0.000 0.255 368 D C 0.036 176.312 176.300 -0.039 0.000 1.246 368 D CA -0.629 53.320 54.000 -0.086 0.000 0.795 368 D CB 1.252 42.034 40.800 -0.029 0.000 1.369 368 D HN 0.542 nan 8.370 nan 0.000 0.425 369 E N -0.303 119.899 120.200 0.002 0.000 2.048 369 E HA -0.285 4.065 4.350 -0.000 0.000 0.202 369 E C 1.537 178.184 176.600 0.079 0.000 1.021 369 E CA 1.711 58.147 56.400 0.060 0.000 0.825 369 E CB -0.050 29.700 29.700 0.084 0.000 0.756 369 E HN 0.482 nan 8.360 nan 0.000 0.454 370 Q N -0.001 119.842 119.800 0.071 0.000 1.935 370 Q HA -0.182 4.158 4.340 -0.000 0.000 0.212 370 Q C 2.396 178.451 176.000 0.091 0.000 1.008 370 Q CA 2.119 57.970 55.803 0.080 0.000 0.868 370 Q CB -1.053 27.730 28.738 0.075 0.000 0.946 370 Q HN 0.333 nan 8.270 nan 0.000 0.418 371 T N 2.263 116.872 114.554 0.091 0.000 2.531 371 T HA -0.271 4.079 4.350 -0.000 0.000 0.261 371 T C 2.046 176.820 174.700 0.124 0.000 1.141 371 T CA 2.475 64.646 62.100 0.117 0.000 1.176 371 T CB -0.570 68.372 68.868 0.123 0.000 0.863 371 T HN 0.319 nan 8.240 nan 0.000 0.424 372 M N 0.672 120.345 119.600 0.121 0.000 2.108 372 M HA -0.153 4.327 4.480 -0.000 0.000 0.257 372 M C 2.478 178.883 176.300 0.174 0.000 1.071 372 M CA 1.492 56.919 55.300 0.212 0.000 1.093 372 M CB -1.077 31.697 32.600 0.291 0.000 1.345 372 M HN 0.111 nan 8.290 nan 0.000 0.403 373 V N 0.083 120.058 119.914 0.101 0.000 2.295 373 V HA -0.293 3.827 4.120 -0.000 0.000 0.246 373 V C 2.387 178.463 176.094 -0.031 0.000 1.049 373 V CA 2.218 64.521 62.300 0.005 0.000 1.024 373 V CB -0.976 30.862 31.823 0.024 0.000 0.648 373 V HN 0.529 nan 8.190 nan 0.000 0.447 374 Q N 0.206 120.036 119.800 0.050 0.000 2.012 374 Q HA -0.330 4.010 4.340 -0.000 0.000 0.211 374 Q C 1.999 178.074 176.000 0.124 0.000 1.009 374 Q CA 2.658 58.514 55.803 0.088 0.000 0.866 374 Q CB -0.287 28.522 28.738 0.118 0.000 0.945 374 Q HN 0.642 nan 8.270 nan 0.000 0.414 375 D N -0.083 120.418 120.400 0.168 0.000 2.158 375 D HA -0.181 4.459 4.640 -0.000 0.000 0.197 375 D C 1.789 178.073 176.300 -0.026 0.000 0.995 375 D CA 1.258 55.368 54.000 0.183 0.000 0.846 375 D CB -0.182 40.714 40.800 0.160 0.000 0.941 375 D HN 0.391 nan 8.370 nan 0.000 0.456 376 I N -0.059 120.484 120.570 -0.045 0.000 2.233 376 I HA -0.189 3.981 4.170 -0.000 0.000 0.243 376 I C 2.281 178.294 176.117 -0.174 0.000 1.093 376 I CA 0.512 61.701 61.300 -0.185 0.000 1.380 376 I CB -0.045 37.763 38.000 -0.321 0.000 1.067 376 I HN -0.039 nan 8.210 nan 0.000 0.413 377 L N 0.004 121.151 121.223 -0.127 0.000 2.017 377 L HA -0.249 4.091 4.340 -0.000 0.000 0.208 377 L C 2.530 179.465 176.870 0.109 0.000 1.073 377 L CA 1.365 56.204 54.840 -0.002 0.000 0.745 377 L CB -0.626 41.450 42.059 0.028 0.000 0.894 377 L HN 0.249 nan 8.230 nan 0.000 0.432 378 L N -0.977 120.338 121.223 0.152 0.000 1.971 378 L HA -0.329 4.011 4.340 -0.000 0.000 0.215 378 L C 2.752 179.795 176.870 0.290 0.000 1.072 378 L CA 1.810 56.816 54.840 0.276 0.000 0.758 378 L CB -0.357 41.963 42.059 0.434 0.000 0.889 378 L HN 0.351 nan 8.230 nan 0.000 0.433 379 M N -0.786 118.877 119.600 0.104 0.000 2.082 379 M HA -0.287 4.193 4.480 -0.000 0.000 0.258 379 M C 2.350 178.715 176.300 0.108 0.000 1.069 379 M CA 1.890 57.183 55.300 -0.011 0.000 1.102 379 M CB -0.290 32.065 32.600 -0.409 0.000 1.336 379 M HN 0.158 nan 8.290 nan 0.000 0.404 380 K N -0.089 120.268 120.400 -0.071 0.000 2.032 380 K HA -0.210 4.110 4.320 -0.000 0.000 0.209 380 K C 1.888 178.342 176.600 -0.244 0.000 1.048 380 K CA 1.634 57.736 56.287 -0.308 0.000 0.927 380 K CB -0.441 31.689 32.500 -0.617 0.000 0.712 380 K HN 0.523 nan 8.250 nan 0.000 0.441 381 Q N 0.492 120.343 119.800 0.084 0.000 2.181 381 Q HA -0.109 4.231 4.340 -0.000 0.000 0.205 381 Q C 1.419 177.621 176.000 0.336 0.000 0.980 381 Q CA 1.022 57.004 55.803 0.297 0.000 0.862 381 Q CB -0.062 28.882 28.738 0.343 0.000 0.905 381 Q HN 0.270 nan 8.270 nan 0.000 0.429 382 N N 0.174 119.019 118.700 0.242 0.000 2.322 382 N HA -0.002 4.738 4.740 -0.000 0.000 0.194 382 N C -0.506 174.909 175.510 -0.159 0.000 1.126 382 N CA 0.198 53.349 53.050 0.168 0.000 0.845 382 N CB 0.521 39.212 38.487 0.341 0.000 0.976 382 N HN 0.207 nan 8.380 nan 0.000 0.475 383 N N -0.650 117.936 118.700 -0.190 0.000 2.999 383 N HA -0.161 4.579 4.740 -0.000 0.000 0.242 383 N C -0.825 174.301 175.510 -0.641 0.000 1.016 383 N CA 0.432 53.201 53.050 -0.469 0.000 0.894 383 N CB -1.901 36.178 38.487 -0.680 0.000 1.113 383 N HN 0.135 nan 8.380 nan 0.000 0.555 384 F N 0.801 120.680 119.950 -0.119 0.000 2.418 384 F HA 0.323 4.850 4.527 -0.000 0.000 0.341 384 F C 1.865 177.613 175.800 -0.086 0.000 1.120 384 F CA -0.088 57.851 58.000 -0.102 0.000 1.232 384 F CB 0.614 39.541 39.000 -0.122 0.000 1.175 384 F HN -0.102 nan 8.300 nan 0.000 0.569 385 N N 0.433 119.229 118.700 0.161 0.000 2.612 385 N HA 0.327 5.067 4.740 -0.000 0.000 0.224 385 N C -0.517 175.033 175.510 0.066 0.000 1.051 385 N CA 0.555 53.661 53.050 0.093 0.000 0.889 385 N CB 0.490 39.099 38.487 0.203 0.000 1.449 385 N HN 0.583 nan 8.380 nan 0.000 0.442 386 A N -0.096 122.830 122.820 0.176 0.000 2.435 386 A HA 0.760 5.080 4.320 -0.000 0.000 0.296 386 A C -1.324 176.444 177.584 0.307 0.000 1.147 386 A CA -0.554 51.650 52.037 0.278 0.000 0.775 386 A CB 1.838 20.989 19.000 0.252 0.000 1.340 386 A HN -0.020 nan 8.150 nan 0.000 0.427 387 V N 0.256 120.458 119.914 0.480 0.000 2.969 387 V HA 0.707 4.827 4.120 -0.000 0.000 0.304 387 V C -0.956 175.347 176.094 0.349 0.000 1.192 387 V CA -0.682 61.866 62.300 0.414 0.000 0.962 387 V CB 1.930 33.901 31.823 0.247 0.000 1.045 387 V HN 1.101 nan 8.190 nan 0.000 0.428 388 R N 5.193 125.762 120.500 0.115 0.000 2.295 388 R HA 0.479 4.819 4.340 -0.000 0.000 0.324 388 R C -0.474 175.719 176.300 -0.177 0.000 0.968 388 R CA -0.435 55.553 56.100 -0.187 0.000 0.837 388 R CB 0.912 30.910 30.300 -0.502 0.000 1.133 388 R HN 0.863 nan 8.270 nan 0.000 0.450 389 C N 4.439 123.647 119.300 -0.153 0.000 3.461 389 C HA 0.074 4.534 4.460 -0.000 0.000 0.525 389 C C 0.577 175.274 174.990 -0.487 0.000 1.028 389 C CA -0.546 58.298 59.018 -0.290 0.000 1.068 389 C CB -2.484 25.166 27.740 -0.149 0.000 1.402 389 C HN 0.737 nan 8.230 nan 0.000 0.612 390 S N 1.088 116.425 115.700 -0.606 0.000 2.515 390 S HA 0.105 4.575 4.470 -0.000 0.000 0.285 390 S C -0.032 173.721 174.600 -1.410 0.000 1.265 390 S CA 0.269 57.868 58.200 -1.002 0.000 1.079 390 S CB 0.191 62.763 63.200 -1.047 0.000 0.877 390 S HN 0.739 nan 8.310 nan 0.000 0.493 391 H N 3.178 121.496 119.070 -1.254 0.000 2.823 391 H HA 0.295 4.851 4.556 -0.000 0.000 0.222 391 H C -1.152 173.998 175.328 -0.297 0.000 1.414 391 H CA -0.366 55.404 56.048 -0.463 0.000 1.289 391 H CB -0.093 29.610 29.762 -0.099 0.000 1.970 391 H HN 0.898 nan 8.280 nan 0.000 0.517 392 Y N -3.046 117.313 120.300 0.100 0.000 2.765 392 Y HA 0.423 4.973 4.550 -0.000 0.000 0.350 392 Y C -3.357 172.611 175.900 0.113 0.000 1.196 392 Y CA -2.988 55.180 58.100 0.113 0.000 1.119 392 Y CB 0.012 38.539 38.460 0.112 0.000 1.368 392 Y HN -0.126 nan 8.280 nan 0.000 0.463 393 P HA 0.174 nan 4.420 nan 0.000 0.271 393 P C -0.547 177.008 177.300 0.425 0.000 1.220 393 P CA 0.188 63.523 63.100 0.391 0.000 0.768 393 P CB 0.561 32.435 31.700 0.291 0.000 0.848 394 N N 1.113 120.051 118.700 0.396 0.000 2.381 394 N HA 0.027 4.767 4.740 -0.000 0.000 0.254 394 N C 0.278 175.977 175.510 0.314 0.000 1.264 394 N CA -0.424 52.733 53.050 0.179 0.000 0.942 394 N CB 0.309 38.597 38.487 -0.332 0.000 1.190 394 N HN 0.597 nan 8.380 nan 0.000 0.495 395 H N 2.318 121.447 119.070 0.099 0.000 2.975 395 H HA 0.030 4.586 4.556 -0.000 0.000 0.303 395 H C -1.676 173.787 175.328 0.225 0.000 1.023 395 H CA -1.184 54.944 56.048 0.134 0.000 1.473 395 H CB 0.744 30.552 29.762 0.077 0.000 1.498 395 H HN 0.424 nan 8.280 nan 0.000 0.549 396 P HA -0.377 nan 4.420 nan 0.000 0.221 396 P C 1.918 179.475 177.300 0.428 0.000 0.967 396 P CA 1.632 64.896 63.100 0.274 0.000 1.038 396 P CB -0.051 31.644 31.700 -0.009 0.000 0.731 397 L N -1.029 120.477 121.223 0.472 0.000 2.085 397 L HA -0.209 4.131 4.340 -0.000 0.000 0.218 397 L C 2.441 179.500 176.870 0.314 0.000 1.080 397 L CA 1.899 56.988 54.840 0.415 0.000 0.776 397 L CB -1.630 40.704 42.059 0.459 0.000 0.891 397 L HN 0.226 nan 8.230 nan 0.000 0.437 398 W N -0.258 121.097 121.300 0.092 0.000 2.284 398 W HA -0.440 4.220 4.660 -0.000 0.000 0.337 398 W C 2.394 178.824 176.519 -0.149 0.000 1.322 398 W CA 2.539 59.805 57.345 -0.132 0.000 1.245 398 W CB -0.897 28.317 29.460 -0.410 0.000 1.141 398 W HN 0.310 nan 8.180 nan 0.000 0.465 399 Y N 1.045 121.289 120.300 -0.093 0.000 2.139 399 Y HA -0.315 4.235 4.550 -0.000 0.000 0.282 399 Y C 2.841 178.556 175.900 -0.308 0.000 1.179 399 Y CA 2.498 60.340 58.100 -0.430 0.000 1.161 399 Y CB -1.532 36.416 38.460 -0.854 0.000 0.970 399 Y HN -0.074 nan 8.280 nan 0.000 0.511 400 T N 0.799 115.387 114.554 0.057 0.000 2.635 400 T HA -0.224 4.126 4.350 -0.000 0.000 0.267 400 T C 2.076 176.809 174.700 0.056 0.000 1.040 400 T CA 1.678 63.871 62.100 0.156 0.000 1.156 400 T CB -0.726 68.265 68.868 0.205 0.000 0.863 400 T HN 0.248 nan 8.240 nan 0.000 0.430 401 L N 0.499 121.724 121.223 0.003 0.000 1.990 401 L HA -0.180 4.160 4.340 -0.000 0.000 0.213 401 L C 2.966 179.805 176.870 -0.051 0.000 1.072 401 L CA 1.321 56.172 54.840 0.018 0.000 0.755 401 L CB -0.768 41.293 42.059 0.002 0.000 0.889 401 L HN 0.415 nan 8.230 nan 0.000 0.432 402 C N -0.426 118.678 119.300 -0.326 0.000 2.422 402 C HA -0.148 4.312 4.460 -0.000 0.000 0.279 402 C C 2.372 177.378 174.990 0.027 0.000 1.305 402 C CA 0.253 59.109 59.018 -0.271 0.000 1.757 402 C CB -0.953 26.518 27.740 -0.449 0.000 1.962 402 C HN 0.555 nan 8.230 nan 0.000 0.499 403 D N 0.565 121.015 120.400 0.082 0.000 2.117 403 D HA -0.113 4.527 4.640 -0.000 0.000 0.197 403 D C 2.350 178.827 176.300 0.295 0.000 0.987 403 D CA 1.313 55.469 54.000 0.259 0.000 0.829 403 D CB -0.317 40.599 40.800 0.195 0.000 0.961 403 D HN 0.440 nan 8.370 nan 0.000 0.460 404 R N -0.712 119.822 120.500 0.056 0.000 2.055 404 R HA -0.037 4.303 4.340 -0.000 0.000 0.226 404 R C 2.363 178.524 176.300 -0.231 0.000 1.135 404 R CA 0.783 56.814 56.100 -0.115 0.000 0.959 404 R CB -0.468 29.665 30.300 -0.279 0.000 0.854 404 R HN 0.204 nan 8.270 nan 0.000 0.431 405 Y N -0.673 119.621 120.300 -0.010 0.000 2.145 405 Y HA 0.090 4.640 4.550 -0.000 0.000 0.286 405 Y C 1.137 176.941 175.900 -0.161 0.000 1.145 405 Y CA 1.423 59.487 58.100 -0.060 0.000 1.148 405 Y CB -0.137 38.264 38.460 -0.097 0.000 0.981 405 Y HN 0.284 nan 8.280 nan 0.000 0.507 406 G N 0.183 108.956 108.800 -0.044 0.000 2.551 406 G HA2 -0.005 3.955 3.960 -0.000 0.000 0.604 406 G HA3 -0.005 3.955 3.960 -0.000 0.000 0.604 406 G C -1.261 173.449 174.900 -0.317 0.000 1.116 406 G CA -0.644 44.286 45.100 -0.284 0.000 1.285 406 G HN 0.152 nan 8.290 nan 0.000 0.586 407 L N 2.294 123.390 121.223 -0.212 0.000 2.596 407 L HA 0.291 4.631 4.340 -0.000 0.000 0.265 407 L C -0.374 176.481 176.870 -0.025 0.000 0.962 407 L CA -1.133 53.579 54.840 -0.214 0.000 0.891 407 L CB 1.427 43.372 42.059 -0.189 0.000 1.248 407 L HN 0.451 nan 8.230 nan 0.000 0.410 408 Y N 2.996 123.415 120.300 0.199 0.000 2.770 408 Y HA 0.057 4.607 4.550 -0.000 0.000 0.342 408 Y C 0.639 176.665 175.900 0.210 0.000 1.221 408 Y CA -0.050 58.199 58.100 0.248 0.000 1.560 408 Y CB -0.135 38.457 38.460 0.219 0.000 1.213 408 Y HN 0.145 nan 8.280 nan 0.000 0.525 409 V N 4.247 124.347 119.914 0.309 0.000 2.837 409 V HA 0.451 4.571 4.120 -0.000 0.000 0.310 409 V C -0.110 176.097 176.094 0.189 0.000 1.059 409 V CA -1.046 61.408 62.300 0.256 0.000 1.004 409 V CB 2.010 33.977 31.823 0.240 0.000 1.045 409 V HN 0.402 nan 8.190 nan 0.000 0.465 410 V N 2.189 122.186 119.914 0.139 0.000 2.376 410 V HA 0.334 4.454 4.120 -0.000 0.000 0.287 410 V C -0.431 175.710 176.094 0.077 0.000 1.015 410 V CA -0.534 61.782 62.300 0.027 0.000 0.834 410 V CB 1.478 33.218 31.823 -0.138 0.000 1.001 410 V HN 0.866 nan 8.190 nan 0.000 0.428 411 D N 3.772 124.228 120.400 0.094 0.000 2.304 411 D HA 0.325 4.965 4.640 -0.000 0.000 0.250 411 D C -0.256 176.192 176.300 0.246 0.000 1.107 411 D CA 0.086 54.225 54.000 0.233 0.000 0.885 411 D CB 1.651 42.616 40.800 0.275 0.000 1.192 411 D HN 0.677 nan 8.370 nan 0.000 0.436 412 E N 0.970 121.301 120.200 0.217 0.000 2.224 412 E HA 0.577 4.927 4.350 -0.000 0.000 0.265 412 E C -1.166 175.550 176.600 0.195 0.000 0.878 412 E CA -0.947 55.563 56.400 0.182 0.000 0.759 412 E CB 1.430 31.193 29.700 0.104 0.000 1.164 412 E HN 0.429 nan 8.360 nan 0.000 0.414 413 A N 3.702 126.633 122.820 0.186 0.000 2.445 413 A HA 0.106 4.426 4.320 -0.000 0.000 0.242 413 A C 0.255 177.947 177.584 0.179 0.000 1.075 413 A CA -0.262 51.870 52.037 0.158 0.000 0.777 413 A CB 0.161 19.224 19.000 0.104 0.000 1.013 413 A HN 0.710 nan 8.150 nan 0.000 0.493 414 N N 1.200 120.015 118.700 0.192 0.000 2.971 414 N HA 0.288 5.028 4.740 -0.000 0.000 0.294 414 N C -1.111 174.506 175.510 0.179 0.000 1.210 414 N CA 0.244 53.433 53.050 0.233 0.000 1.157 414 N CB -0.850 37.809 38.487 0.287 0.000 1.450 414 N HN 0.447 nan 8.380 nan 0.000 0.527 415 I N 0.692 121.360 120.570 0.163 0.000 2.497 415 I HA 0.287 4.457 4.170 -0.000 0.000 0.284 415 I C -0.521 175.669 176.117 0.122 0.000 1.060 415 I CA -0.546 60.834 61.300 0.133 0.000 1.071 415 I CB 1.844 39.900 38.000 0.093 0.000 1.216 415 I HN 0.273 nan 8.210 nan 0.000 0.442 416 E N 3.775 124.044 120.200 0.114 0.000 2.275 416 E HA 0.515 4.865 4.350 -0.000 0.000 0.270 416 E C -0.483 176.151 176.600 0.057 0.000 0.882 416 E CA -0.445 55.989 56.400 0.056 0.000 0.758 416 E CB 1.809 31.517 29.700 0.013 0.000 1.195 416 E HN 0.628 nan 8.360 nan 0.000 0.419 417 T N 0.262 114.828 114.554 0.019 0.000 3.442 417 T HA 0.151 4.501 4.350 -0.000 0.000 0.295 417 T C 0.910 175.602 174.700 -0.014 0.000 1.007 417 T CA -0.282 61.854 62.100 0.060 0.000 0.962 417 T CB -0.329 68.575 68.868 0.059 0.000 1.187 417 T HN 0.650 nan 8.240 nan 0.000 0.490 418 H N 1.519 120.466 119.070 -0.205 0.000 2.297 418 H HA -0.145 4.411 4.556 -0.000 0.000 0.289 418 H C 2.365 177.522 175.328 -0.285 0.000 1.105 418 H CA 1.791 57.683 56.048 -0.261 0.000 1.219 418 H CB -0.276 29.295 29.762 -0.319 0.000 1.351 418 H HN 0.578 nan 8.280 nan 0.000 0.481 419 G N 0.136 108.735 108.800 -0.334 0.000 2.708 419 G HA2 -0.086 3.874 3.960 -0.000 0.000 0.210 419 G HA3 -0.086 3.874 3.960 -0.000 0.000 0.210 419 G C 0.452 175.437 174.900 0.141 0.000 1.141 419 G CA 0.083 45.015 45.100 -0.280 0.000 0.788 419 G HN 0.177 nan 8.290 nan 0.000 0.531 420 M N 0.117 119.816 119.600 0.166 0.000 2.227 420 M HA 0.392 4.872 4.480 -0.000 0.000 0.316 420 M C -0.562 175.768 176.300 0.051 0.000 1.144 420 M CA -0.260 55.130 55.300 0.151 0.000 1.121 420 M CB 1.552 34.211 32.600 0.099 0.000 1.440 420 M HN -0.197 nan 8.290 nan 0.000 0.473 421 V N 2.558 122.487 119.914 0.026 0.000 2.509 421 V HA 0.314 4.434 4.120 -0.000 0.000 0.289 421 V C -2.036 174.052 176.094 -0.011 0.000 1.026 421 V CA -1.257 61.043 62.300 -0.000 0.000 0.872 421 V CB 1.466 33.287 31.823 -0.003 0.000 1.017 421 V HN 0.733 nan 8.190 nan 0.000 0.436 422 P HA 0.289 nan 4.420 nan 0.000 0.277 422 P C 1.026 178.318 177.300 -0.013 0.000 1.276 422 P CA -0.540 62.550 63.100 -0.016 0.000 0.788 422 P CB 0.988 32.679 31.700 -0.015 0.000 1.114 423 M N -0.347 119.244 119.600 -0.014 0.000 2.374 423 M HA -0.140 4.340 4.480 -0.000 0.000 0.264 423 M C 1.827 178.126 176.300 -0.001 0.000 1.067 423 M CA 1.416 56.708 55.300 -0.012 0.000 1.103 423 M CB -0.490 32.084 32.600 -0.043 0.000 1.402 423 M HN 0.373 nan 8.290 nan 0.000 0.444 424 N N -0.028 118.673 118.700 0.002 0.000 2.106 424 N HA -0.218 4.522 4.740 -0.000 0.000 0.188 424 N C 1.597 177.073 175.510 -0.057 0.000 1.029 424 N CA 0.985 54.034 53.050 -0.000 0.000 0.848 424 N CB 0.021 38.505 38.487 -0.007 0.000 1.007 424 N HN 0.236 nan 8.380 nan 0.000 0.423 425 R N 0.469 120.927 120.500 -0.069 0.000 2.366 425 R HA -0.261 4.079 4.340 -0.000 0.000 0.249 425 R C 1.846 178.029 176.300 -0.196 0.000 1.064 425 R CA 1.941 57.975 56.100 -0.110 0.000 0.925 425 R CB -0.433 29.806 30.300 -0.102 0.000 0.952 425 R HN 0.303 nan 8.270 nan 0.000 0.444 426 L N -1.878 119.171 121.223 -0.291 0.000 2.200 426 L HA 0.002 4.342 4.340 -0.000 0.000 0.200 426 L C 2.519 179.208 176.870 -0.301 0.000 1.072 426 L CA 1.192 55.711 54.840 -0.536 0.000 0.787 426 L CB -0.423 41.098 42.059 -0.896 0.000 0.957 426 L HN 0.443 nan 8.230 nan 0.000 0.459 427 T N -3.960 110.472 114.554 -0.204 0.000 3.025 427 T HA -0.205 4.145 4.350 -0.000 0.000 0.270 427 T C 1.061 175.657 174.700 -0.172 0.000 1.126 427 T CA 1.501 63.484 62.100 -0.194 0.000 1.105 427 T CB -0.301 68.454 68.868 -0.189 0.000 0.884 427 T HN 0.161 nan 8.240 nan 0.000 0.522 428 D N 0.570 120.901 120.400 -0.115 0.000 2.402 428 D HA 0.146 4.786 4.640 -0.000 0.000 0.216 428 D C -0.485 175.785 176.300 -0.050 0.000 1.128 428 D CA -0.305 53.640 54.000 -0.091 0.000 0.833 428 D CB 0.149 40.904 40.800 -0.075 0.000 0.971 428 D HN 0.258 nan 8.370 nan 0.000 0.503 429 D N -0.176 120.214 120.400 -0.016 0.000 2.349 429 D HA 0.146 4.786 4.640 -0.000 0.000 0.232 429 D C -1.667 174.693 176.300 0.100 0.000 1.071 429 D CA -2.338 51.705 54.000 0.072 0.000 0.832 429 D CB 2.048 42.958 40.800 0.183 0.000 1.086 429 D HN -0.065 nan 8.370 nan 0.000 0.504 430 P HA -0.143 nan 4.420 nan 0.000 0.218 430 P C 1.162 178.456 177.300 -0.009 0.000 1.146 430 P CA 0.951 64.054 63.100 0.005 0.000 0.813 430 P CB 0.330 32.022 31.700 -0.013 0.000 0.778 431 R N -1.873 118.626 120.500 -0.002 0.000 2.152 431 R HA -0.105 4.235 4.340 -0.000 0.000 0.232 431 R C 1.923 178.052 176.300 -0.285 0.000 1.117 431 R CA 1.300 57.311 56.100 -0.148 0.000 0.981 431 R CB -0.536 29.656 30.300 -0.181 0.000 0.870 431 R HN 0.321 nan 8.270 nan 0.000 0.451 432 W N -0.164 121.073 121.300 -0.106 0.000 3.003 432 W HA 0.031 4.691 4.660 -0.000 0.000 0.257 432 W C 1.700 178.151 176.519 -0.114 0.000 1.308 432 W CA -0.361 56.919 57.345 -0.108 0.000 1.529 432 W CB -0.148 29.245 29.460 -0.112 0.000 1.115 432 W HN 0.026 nan 8.180 nan 0.000 0.659 433 L N 2.524 123.772 121.223 0.042 0.000 1.997 433 L HA -0.157 4.183 4.340 -0.000 0.000 0.216 433 L C -0.610 176.216 176.870 -0.075 0.000 1.074 433 L CA 2.392 57.211 54.840 -0.036 0.000 0.763 433 L CB -2.104 39.924 42.059 -0.051 0.000 0.890 433 L HN -0.146 nan 8.230 nan 0.000 0.434 434 P HA -0.117 nan 4.420 nan 0.000 0.216 434 P C 1.604 178.840 177.300 -0.107 0.000 1.150 434 P CA 2.154 65.186 63.100 -0.114 0.000 0.837 434 P CB -0.210 31.416 31.700 -0.125 0.000 0.786 435 A N -0.710 122.058 122.820 -0.087 0.000 1.897 435 A HA -0.110 4.210 4.320 -0.000 0.000 0.215 435 A C 2.121 179.706 177.584 0.000 0.000 1.181 435 A CA 1.639 53.654 52.037 -0.036 0.000 0.620 435 A CB -1.358 17.640 19.000 -0.004 0.000 0.821 435 A HN 0.113 nan 8.150 nan 0.000 0.443 436 M N -0.194 119.412 119.600 0.010 0.000 2.492 436 M HA -0.046 4.434 4.480 -0.000 0.000 0.262 436 M C 2.270 178.510 176.300 -0.099 0.000 1.090 436 M CA 1.192 56.479 55.300 -0.023 0.000 1.110 436 M CB -0.186 32.381 32.600 -0.055 0.000 1.407 436 M HN 0.540 nan 8.290 nan 0.000 0.470 437 S N 1.057 116.673 115.700 -0.139 0.000 2.371 437 S HA -0.130 4.340 4.470 -0.000 0.000 0.224 437 S C 1.686 176.131 174.600 -0.259 0.000 1.029 437 S CA 1.184 59.242 58.200 -0.236 0.000 0.978 437 S CB -0.136 62.915 63.200 -0.249 0.000 0.833 437 S HN 0.500 nan 8.310 nan 0.000 0.466 438 E N 0.941 121.032 120.200 -0.182 0.000 2.118 438 E HA -0.149 4.201 4.350 -0.000 0.000 0.195 438 E C 2.509 179.024 176.600 -0.142 0.000 0.992 438 E CA 0.993 57.295 56.400 -0.163 0.000 0.804 438 E CB -0.146 29.485 29.700 -0.115 0.000 0.741 438 E HN 0.534 nan 8.360 nan 0.000 0.458 439 R N 0.523 120.962 120.500 -0.102 0.000 2.082 439 R HA -0.133 4.207 4.340 -0.000 0.000 0.234 439 R C 2.489 178.735 176.300 -0.090 0.000 1.136 439 R CA 1.349 57.417 56.100 -0.055 0.000 0.935 439 R CB -0.963 29.329 30.300 -0.012 0.000 0.842 439 R HN 0.113 nan 8.270 nan 0.000 0.430 440 V N 1.352 121.170 119.914 -0.161 0.000 2.270 440 V HA -0.233 3.887 4.120 -0.000 0.000 0.245 440 V C 2.883 178.807 176.094 -0.283 0.000 1.043 440 V CA 2.355 64.537 62.300 -0.196 0.000 1.014 440 V CB -1.084 30.596 31.823 -0.237 0.000 0.645 440 V HN 0.564 nan 8.190 nan 0.000 0.447 441 T N 0.776 115.054 114.554 -0.459 0.000 2.652 441 T HA -0.292 4.058 4.350 -0.000 0.000 0.267 441 T C 1.880 176.445 174.700 -0.226 0.000 1.039 441 T CA 1.848 63.640 62.100 -0.514 0.000 1.153 441 T CB -0.586 67.796 68.868 -0.809 0.000 0.863 441 T HN 0.544 nan 8.240 nan 0.000 0.428 442 R N 0.669 121.057 120.500 -0.188 0.000 2.193 442 R HA 0.196 4.536 4.340 -0.000 0.000 0.229 442 R C 2.657 178.890 176.300 -0.111 0.000 1.110 442 R CA 1.259 57.281 56.100 -0.131 0.000 0.988 442 R CB -0.634 29.595 30.300 -0.119 0.000 0.871 442 R HN 0.463 nan 8.270 nan 0.000 0.458 443 M N 0.996 120.534 119.600 -0.103 0.000 2.077 443 M HA -0.135 4.345 4.480 -0.000 0.000 0.261 443 M C 1.856 178.110 176.300 -0.076 0.000 1.070 443 M CA 1.697 56.967 55.300 -0.051 0.000 1.125 443 M CB 0.105 32.708 32.600 0.005 0.000 1.339 443 M HN 0.029 nan 8.290 nan 0.000 0.409 444 V N 0.714 120.500 119.914 -0.213 0.000 2.407 444 V HA -0.274 3.846 4.120 -0.000 0.000 0.248 444 V C 2.232 178.230 176.094 -0.160 0.000 1.055 444 V CA 1.862 63.952 62.300 -0.349 0.000 1.049 444 V CB -1.031 30.495 31.823 -0.494 0.000 0.662 444 V HN 0.578 nan 8.190 nan 0.000 0.455 445 Q N -0.394 119.333 119.800 -0.121 0.000 2.096 445 Q HA -0.256 4.084 4.340 -0.000 0.000 0.204 445 Q C 2.542 178.441 176.000 -0.169 0.000 0.982 445 Q CA 2.068 57.790 55.803 -0.134 0.000 0.850 445 Q CB -0.205 28.482 28.738 -0.084 0.000 0.901 445 Q HN 0.534 nan 8.270 nan 0.000 0.422 446 R N 0.362 120.771 120.500 -0.152 0.000 2.057 446 R HA -0.115 4.225 4.340 -0.000 0.000 0.229 446 R C 0.846 177.071 176.300 -0.124 0.000 1.136 446 R CA 1.765 57.761 56.100 -0.172 0.000 0.952 446 R CB 0.180 30.386 30.300 -0.156 0.000 0.848 446 R HN 0.347 nan 8.270 nan 0.000 0.430 447 D N -0.186 120.193 120.400 -0.035 0.000 2.369 447 D HA -0.029 4.611 4.640 -0.000 0.000 0.211 447 D C 1.326 177.689 176.300 0.106 0.000 1.077 447 D CA -0.002 54.010 54.000 0.020 0.000 0.842 447 D CB 0.131 40.777 40.800 -0.256 0.000 0.947 447 D HN 0.343 nan 8.370 nan 0.000 0.509 448 R N 1.580 122.165 120.500 0.142 0.000 2.211 448 R HA -0.098 4.242 4.340 -0.000 0.000 0.240 448 R C 1.064 177.338 176.300 -0.045 0.000 1.144 448 R CA 1.206 57.414 56.100 0.181 0.000 0.992 448 R CB -0.646 29.714 30.300 0.101 0.000 0.869 448 R HN 0.015 nan 8.270 nan 0.000 0.462 449 N N 0.321 118.900 118.700 -0.201 0.000 2.322 449 N HA -0.025 4.715 4.740 -0.000 0.000 0.194 449 N C -0.479 174.835 175.510 -0.326 0.000 1.126 449 N CA 0.153 53.037 53.050 -0.276 0.000 0.845 449 N CB 0.054 38.352 38.487 -0.315 0.000 0.976 449 N HN 0.327 nan 8.380 nan 0.000 0.475 450 H N 1.808 120.790 119.070 -0.147 0.000 2.742 450 H HA 0.104 4.660 4.556 -0.000 0.000 0.302 450 H C -1.194 173.987 175.328 -0.246 0.000 1.069 450 H CA -1.207 54.750 56.048 -0.152 0.000 1.446 450 H CB 1.479 31.171 29.762 -0.117 0.000 1.462 450 H HN 0.040 nan 8.280 nan 0.000 0.499 451 P HA -0.113 nan 4.420 nan 0.000 0.230 451 P C 1.281 178.129 177.300 -0.754 0.000 1.158 451 P CA 0.790 63.571 63.100 -0.532 0.000 0.769 451 P CB 0.318 31.532 31.700 -0.810 0.000 0.807 452 S N -1.412 114.051 115.700 -0.395 0.000 2.425 452 S HA 0.020 4.490 4.470 -0.000 0.000 0.225 452 S C 0.997 175.593 174.600 -0.007 0.000 1.024 452 S CA 0.012 58.112 58.200 -0.168 0.000 0.951 452 S CB -1.217 62.032 63.200 0.082 0.000 0.796 452 S HN -0.093 nan 8.310 nan 0.000 0.498 453 V N 4.185 124.056 119.914 -0.072 0.000 2.446 453 V HA 0.211 4.331 4.120 -0.000 0.000 0.276 453 V C 1.170 177.119 176.094 -0.242 0.000 1.030 453 V CA 0.157 62.368 62.300 -0.148 0.000 1.033 453 V CB 0.283 31.935 31.823 -0.285 0.000 0.993 453 V HN 0.652 nan 8.190 nan 0.000 0.477 454 I N 2.330 122.800 120.570 -0.166 0.000 4.456 454 I HA 0.499 4.669 4.170 -0.000 0.000 0.329 454 I C 0.286 176.280 176.117 -0.204 0.000 1.313 454 I CA 0.436 61.643 61.300 -0.156 0.000 1.205 454 I CB 0.643 38.612 38.000 -0.051 0.000 1.179 454 I HN 0.364 nan 8.210 nan 0.000 0.419 455 I N 0.134 120.568 120.570 -0.227 0.000 2.769 455 I HA 0.430 4.600 4.170 -0.000 0.000 0.298 455 I C -1.578 174.415 176.117 -0.207 0.000 1.128 455 I CA -0.373 60.826 61.300 -0.169 0.000 1.031 455 I CB 2.185 40.170 38.000 -0.025 0.000 1.235 455 I HN -0.003 nan 8.210 nan 0.000 0.423 456 W N 2.958 124.292 121.300 0.055 0.000 2.627 456 W HA 0.713 5.373 4.660 -0.000 0.000 0.339 456 W C 0.106 176.673 176.519 0.079 0.000 1.058 456 W CA -0.731 56.653 57.345 0.064 0.000 1.223 456 W CB 1.841 31.337 29.460 0.060 0.000 1.389 456 W HN 0.312 nan 8.180 nan 0.000 0.541 457 S N 2.103 118.007 115.700 0.339 0.000 2.521 457 S HA 0.431 4.901 4.470 -0.000 0.000 0.295 457 S C 0.045 174.796 174.600 0.252 0.000 1.098 457 S CA -0.665 57.689 58.200 0.256 0.000 0.999 457 S CB 0.851 64.156 63.200 0.175 0.000 1.034 457 S HN 0.579 nan 8.310 nan 0.000 0.483 458 L N 4.048 125.420 121.223 0.249 0.000 2.599 458 L HA 0.393 4.733 4.340 -0.000 0.000 0.230 458 L C 1.395 178.340 176.870 0.126 0.000 1.141 458 L CA 0.541 55.462 54.840 0.136 0.000 0.877 458 L CB -0.951 41.111 42.059 0.004 0.000 1.009 458 L HN 0.992 nan 8.230 nan 0.000 0.447 459 G N -0.228 108.716 108.800 0.241 0.000 2.270 459 G HA2 -0.098 3.862 3.960 -0.000 0.000 0.268 459 G HA3 -0.098 3.862 3.960 -0.000 0.000 0.268 459 G C -1.728 173.328 174.900 0.260 0.000 1.312 459 G CA -0.669 44.562 45.100 0.220 0.000 1.050 459 G HN 0.109 nan 8.290 nan 0.000 0.474 460 N N 0.707 119.497 118.700 0.149 0.000 2.371 460 N HA 0.456 5.196 4.740 -0.000 0.000 0.280 460 N C -0.466 174.973 175.510 -0.120 0.000 1.084 460 N CA 0.209 53.212 53.050 -0.078 0.000 0.892 460 N CB 1.512 39.694 38.487 -0.508 0.000 1.653 460 N HN 0.908 nan 8.380 nan 0.000 0.480 461 E N 0.700 120.753 120.200 -0.244 0.000 2.202 461 E HA -0.192 4.158 4.350 -0.000 0.000 0.169 461 E C -0.747 175.733 176.600 -0.199 0.000 1.536 461 E CA 0.682 56.862 56.400 -0.366 0.000 0.664 461 E CB -1.652 27.565 29.700 -0.806 0.000 1.064 461 E HN 0.403 nan 8.360 nan 0.000 0.327 462 S N -0.094 115.633 115.700 0.045 0.000 2.846 462 S HA 0.394 4.864 4.470 -0.000 0.000 0.249 462 S C 0.867 175.575 174.600 0.179 0.000 1.028 462 S CA -0.019 58.258 58.200 0.127 0.000 1.043 462 S CB 1.375 64.714 63.200 0.232 0.000 0.990 462 S HN 0.904 nan 8.310 nan 0.000 0.564 463 G N 2.005 110.863 108.800 0.097 0.000 2.552 463 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.265 463 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.265 463 G C -0.467 174.584 174.900 0.252 0.000 1.234 463 G CA -0.058 45.103 45.100 0.101 0.000 0.944 463 G HN 0.591 nan 8.290 nan 0.000 0.568 464 H N 0.773 119.920 119.070 0.129 0.000 2.970 464 H HA 0.556 5.112 4.556 -0.000 0.000 0.315 464 H C 0.292 175.755 175.328 0.226 0.000 0.992 464 H CA 0.044 56.202 56.048 0.183 0.000 1.363 464 H CB 0.510 30.339 29.762 0.112 0.000 1.532 464 H HN 1.039 nan 8.280 nan 0.000 0.514 465 G N 1.492 110.301 108.800 0.014 0.000 2.537 465 G HA2 0.452 4.412 3.960 -0.000 0.000 0.308 465 G HA3 0.452 4.412 3.960 -0.000 0.000 0.308 465 G C 0.668 175.379 174.900 -0.315 0.000 1.237 465 G CA -0.122 44.849 45.100 -0.215 0.000 0.968 465 G HN 0.657 nan 8.290 nan 0.000 0.481 466 A N 0.699 123.386 122.820 -0.220 0.000 1.948 466 A HA -0.139 4.181 4.320 -0.000 0.000 0.220 466 A C 2.165 179.686 177.584 -0.105 0.000 1.177 466 A CA 2.052 54.012 52.037 -0.128 0.000 0.636 466 A CB -0.512 18.441 19.000 -0.079 0.000 0.815 466 A HN 0.562 nan 8.150 nan 0.000 0.449 467 N N -0.329 118.269 118.700 -0.170 0.000 2.272 467 N HA -0.166 4.574 4.740 -0.000 0.000 0.185 467 N C 1.336 176.718 175.510 -0.214 0.000 1.014 467 N CA 1.755 54.689 53.050 -0.194 0.000 0.870 467 N CB -0.691 37.657 38.487 -0.233 0.000 0.975 467 N HN 0.800 nan 8.380 nan 0.000 0.433 468 H N 0.523 119.544 119.070 -0.081 0.000 2.299 468 H HA -0.006 4.550 4.556 -0.000 0.000 0.302 468 H C 1.379 176.749 175.328 0.071 0.000 1.078 468 H CA 1.413 57.432 56.048 -0.050 0.000 1.323 468 H CB 0.064 29.810 29.762 -0.028 0.000 1.381 468 H HN 0.194 nan 8.280 nan 0.000 0.498 469 D N 0.558 121.090 120.400 0.220 0.000 2.123 469 D HA -0.183 4.457 4.640 -0.000 0.000 0.196 469 D C 2.280 178.704 176.300 0.206 0.000 0.992 469 D CA 1.185 55.312 54.000 0.212 0.000 0.833 469 D CB -0.387 40.510 40.800 0.161 0.000 0.954 469 D HN 0.436 nan 8.370 nan 0.000 0.455 470 A N 1.232 124.121 122.820 0.115 0.000 1.865 470 A HA -0.165 4.155 4.320 -0.000 0.000 0.217 470 A C 2.419 180.088 177.584 0.143 0.000 1.191 470 A CA 1.213 53.312 52.037 0.103 0.000 0.623 470 A CB -0.921 18.096 19.000 0.029 0.000 0.826 470 A HN 0.234 nan 8.150 nan 0.000 0.444 471 L N -1.956 119.326 121.223 0.098 0.000 2.376 471 L HA -0.104 4.236 4.340 -0.000 0.000 0.219 471 L C 2.463 179.453 176.870 0.201 0.000 1.133 471 L CA 1.219 56.117 54.840 0.098 0.000 0.816 471 L CB -0.669 41.368 42.059 -0.037 0.000 0.933 471 L HN 0.616 nan 8.230 nan 0.000 0.449 472 Y N 0.756 121.121 120.300 0.109 0.000 2.133 472 Y HA -0.191 4.359 4.550 -0.000 0.000 0.287 472 Y C 2.878 178.852 175.900 0.123 0.000 1.134 472 Y CA 1.232 59.404 58.100 0.120 0.000 1.133 472 Y CB -0.115 38.420 38.460 0.125 0.000 0.987 472 Y HN -0.103 nan 8.280 nan 0.000 0.502 473 R N 0.430 121.067 120.500 0.229 0.000 2.096 473 R HA -0.269 4.071 4.340 -0.000 0.000 0.240 473 R C 2.123 178.442 176.300 0.033 0.000 1.139 473 R CA 2.130 58.288 56.100 0.097 0.000 0.952 473 R CB -1.785 28.629 30.300 0.190 0.000 0.854 473 R HN 0.719 nan 8.270 nan 0.000 0.436 474 W N 0.970 122.227 121.300 -0.072 0.000 2.317 474 W HA -0.199 4.461 4.660 -0.000 0.000 0.318 474 W C 1.909 178.333 176.519 -0.159 0.000 1.227 474 W CA 1.828 59.114 57.345 -0.099 0.000 1.269 474 W CB -0.297 29.111 29.460 -0.086 0.000 1.155 474 W HN 0.023 nan 8.180 nan 0.000 0.484 475 I N 0.870 121.476 120.570 0.060 0.000 2.264 475 I HA -0.322 3.848 4.170 -0.000 0.000 0.248 475 I C 2.283 178.216 176.117 -0.307 0.000 1.111 475 I CA 1.321 62.495 61.300 -0.211 0.000 1.382 475 I CB -0.965 36.945 38.000 -0.150 0.000 1.060 475 I HN 0.005 nan 8.210 nan 0.000 0.418 476 K N 0.875 121.100 120.400 -0.292 0.000 2.097 476 K HA -0.066 4.254 4.320 -0.000 0.000 0.206 476 K C 2.286 178.752 176.600 -0.224 0.000 1.049 476 K CA 1.135 57.264 56.287 -0.262 0.000 0.933 476 K CB -0.316 31.994 32.500 -0.316 0.000 0.717 476 K HN 0.264 nan 8.250 nan 0.000 0.442 477 S N 0.709 116.239 115.700 -0.284 0.000 2.325 477 S HA -0.068 4.402 4.470 -0.000 0.000 0.214 477 S C 2.216 176.605 174.600 -0.352 0.000 1.031 477 S CA 1.118 59.148 58.200 -0.283 0.000 0.972 477 S CB -0.352 62.668 63.200 -0.299 0.000 0.908 477 S HN -0.015 nan 8.310 nan 0.000 0.453 478 V N 1.572 121.123 119.914 -0.605 0.000 2.392 478 V HA -0.099 4.021 4.120 -0.000 0.000 0.249 478 V C 0.660 176.539 176.094 -0.360 0.000 1.059 478 V CA 1.590 63.521 62.300 -0.615 0.000 1.051 478 V CB -0.506 30.605 31.823 -1.185 0.000 0.658 478 V HN 0.432 nan 8.190 nan 0.000 0.455 479 D N -1.138 119.084 120.400 -0.297 0.000 2.323 479 D HA 0.262 4.902 4.640 -0.000 0.000 0.242 479 D C -2.183 174.101 176.300 -0.027 0.000 1.347 479 D CA -1.693 52.242 54.000 -0.107 0.000 0.988 479 D CB 1.800 42.601 40.800 0.002 0.000 1.314 479 D HN 0.049 nan 8.370 nan 0.000 0.564 480 P HA -0.031 nan 4.420 nan 0.000 0.236 480 P C 1.255 178.574 177.300 0.031 0.000 1.177 480 P CA 0.425 63.518 63.100 -0.011 0.000 0.773 480 P CB 0.215 31.900 31.700 -0.025 0.000 0.878 481 S N 0.225 115.955 115.700 0.050 0.000 2.402 481 S HA -0.102 4.368 4.470 -0.000 0.000 0.229 481 S C 1.019 175.644 174.600 0.042 0.000 1.021 481 S CA 0.086 58.316 58.200 0.049 0.000 0.974 481 S CB -0.678 62.544 63.200 0.037 0.000 0.800 481 S HN 0.256 nan 8.310 nan 0.000 0.484 482 R N 0.509 121.050 120.500 0.068 0.000 2.750 482 R HA 0.723 5.063 4.340 -0.000 0.000 0.281 482 R C -3.435 172.913 176.300 0.080 0.000 0.972 482 R CA -2.533 53.572 56.100 0.008 0.000 0.912 482 R CB 0.407 30.608 30.300 -0.165 0.000 1.187 482 R HN 0.013 nan 8.270 nan 0.000 0.464 483 P HA 0.055 nan 4.420 nan 0.000 0.271 483 P C -0.637 176.758 177.300 0.158 0.000 1.233 483 P CA -0.480 62.675 63.100 0.091 0.000 0.789 483 P CB 0.563 32.301 31.700 0.064 0.000 0.951 484 V N 1.266 121.295 119.914 0.191 0.000 2.715 484 V HA 0.466 4.586 4.120 -0.000 0.000 0.310 484 V C 0.073 176.324 176.094 0.262 0.000 1.054 484 V CA -0.334 62.124 62.300 0.264 0.000 0.928 484 V CB 1.536 33.506 31.823 0.246 0.000 1.007 484 V HN 0.663 nan 8.190 nan 0.000 0.437 485 Q N 3.176 123.120 119.800 0.240 0.000 2.421 485 Q HA 0.782 5.122 4.340 -0.000 0.000 0.280 485 Q C -1.784 174.362 176.000 0.243 0.000 1.085 485 Q CA -0.941 54.970 55.803 0.179 0.000 0.807 485 Q CB 2.839 31.623 28.738 0.077 0.000 1.405 485 Q HN 0.689 nan 8.270 nan 0.000 0.419 486 Y N 0.700 121.002 120.300 0.002 0.000 2.246 486 Y HA 0.113 4.663 4.550 -0.000 0.000 0.315 486 Y C -0.110 175.720 175.900 -0.117 0.000 1.251 486 Y CA -0.544 57.524 58.100 -0.052 0.000 1.212 486 Y CB 1.687 40.120 38.460 -0.044 0.000 1.277 486 Y HN 0.979 nan 8.280 nan 0.000 0.398 487 E N 3.799 123.544 120.200 -0.759 0.000 2.106 487 E HA 0.006 4.356 4.350 -0.000 0.000 0.192 487 E C 0.899 177.059 176.600 -0.733 0.000 0.984 487 E CA 1.078 57.105 56.400 -0.622 0.000 0.806 487 E CB -0.008 29.432 29.700 -0.433 0.000 0.750 487 E HN 0.909 nan 8.360 nan 0.000 0.458 488 G N -0.455 107.566 108.800 -1.298 0.000 2.469 488 G HA2 0.106 4.066 3.960 -0.000 0.000 0.229 488 G HA3 0.106 4.066 3.960 -0.000 0.000 0.229 488 G C 0.905 175.641 174.900 -0.273 0.000 1.222 488 G CA 0.531 45.200 45.100 -0.718 0.000 0.861 488 G HN 0.481 nan 8.290 nan 0.000 0.538 489 G N -0.156 108.591 108.800 -0.088 0.000 2.189 489 G HA2 0.181 4.141 3.960 -0.000 0.000 0.267 489 G HA3 0.181 4.141 3.960 -0.000 0.000 0.267 489 G C 1.291 176.186 174.900 -0.008 0.000 0.975 489 G CA 1.199 46.311 45.100 0.019 0.000 0.644 489 G HN 2.614 nan 8.290 nan 0.000 0.537 490 G N -1.745 107.033 108.800 -0.037 0.000 2.870 490 G HA2 0.485 4.445 3.960 -0.000 0.000 0.216 490 G HA3 0.485 4.445 3.960 -0.000 0.000 0.216 490 G C 1.083 176.064 174.900 0.136 0.000 0.973 490 G CA 1.261 46.403 45.100 0.070 0.000 0.807 490 G HN 2.213 nan 8.290 nan 0.000 0.573 491 A N 0.243 123.035 122.820 -0.047 0.000 3.420 491 A HA -0.163 4.157 4.320 -0.000 0.000 0.269 491 A C 1.084 178.609 177.584 -0.098 0.000 1.122 491 A CA 2.724 54.688 52.037 -0.121 0.000 1.023 491 A CB -1.727 17.185 19.000 -0.147 0.000 1.099 491 A HN 1.950 nan 8.150 nan 0.000 0.860 492 D N -1.087 119.327 120.400 0.022 0.000 2.760 492 D HA 0.317 4.957 4.640 -0.000 0.000 0.314 492 D C 0.337 176.628 176.300 -0.016 0.000 1.464 492 D CA 0.722 54.742 54.000 0.034 0.000 0.797 492 D CB -1.101 39.850 40.800 0.251 0.000 1.149 492 D HN 0.788 nan 8.370 nan 0.000 0.455 493 T N -2.600 111.880 114.554 -0.123 0.000 2.732 493 T HA 0.236 4.586 4.350 -0.000 0.000 0.287 493 T C 1.623 176.190 174.700 -0.222 0.000 0.993 493 T CA 0.386 62.346 62.100 -0.233 0.000 0.966 493 T CB 1.085 69.614 68.868 -0.566 0.000 1.047 493 T HN 0.084 nan 8.240 nan 0.000 0.527 494 T N -2.438 111.974 114.554 -0.238 0.000 3.113 494 T HA 0.158 4.508 4.350 -0.000 0.000 0.263 494 T C 1.538 175.959 174.700 -0.465 0.000 1.143 494 T CA 0.348 62.308 62.100 -0.234 0.000 1.090 494 T CB -0.547 68.252 68.868 -0.115 0.000 0.922 494 T HN 0.846 nan 8.240 nan 0.000 0.521 495 A N 0.444 123.026 122.820 -0.396 0.000 2.476 495 A HA 0.539 4.859 4.320 -0.000 0.000 0.263 495 A C 0.696 178.125 177.584 -0.259 0.000 1.342 495 A CA -0.295 51.493 52.037 -0.416 0.000 0.926 495 A CB -0.248 18.767 19.000 0.024 0.000 1.019 495 A HN 0.449 nan 8.150 nan 0.000 0.515 496 T N -1.634 112.757 114.554 -0.272 0.000 3.012 496 T HA 0.310 4.660 4.350 -0.000 0.000 0.330 496 T C -0.865 173.875 174.700 0.066 0.000 1.321 496 T CA -0.470 61.653 62.100 0.039 0.000 1.067 496 T CB 1.232 70.107 68.868 0.011 0.000 1.235 496 T HN 0.118 nan 8.240 nan 0.000 0.479 497 D N 2.456 122.968 120.400 0.187 0.000 2.354 497 D HA 0.278 4.918 4.640 -0.000 0.000 0.209 497 D C 0.402 176.736 176.300 0.057 0.000 1.015 497 D CA 0.520 54.604 54.000 0.140 0.000 0.867 497 D CB 0.711 41.617 40.800 0.177 0.000 0.933 497 D HN 0.488 nan 8.370 nan 0.000 0.520 498 I N 1.420 122.006 120.570 0.026 0.000 2.465 498 I HA 0.256 4.426 4.170 -0.000 0.000 0.291 498 I C -0.193 175.865 176.117 -0.097 0.000 1.014 498 I CA -0.861 60.419 61.300 -0.032 0.000 1.093 498 I CB 2.648 40.637 38.000 -0.018 0.000 1.267 498 I HN -0.365 nan 8.210 nan 0.000 0.431 499 I N 6.058 126.529 120.570 -0.165 0.000 2.452 499 I HA 0.073 4.243 4.170 -0.000 0.000 0.287 499 I C 0.122 176.038 176.117 -0.334 0.000 1.079 499 I CA -0.081 61.039 61.300 -0.300 0.000 1.387 499 I CB 0.217 37.928 38.000 -0.480 0.000 1.404 499 I HN 0.635 nan 8.210 nan 0.000 0.522 500 C N 5.330 124.439 119.300 -0.318 0.000 3.335 500 C HA 0.519 4.979 4.460 -0.000 0.000 0.217 500 C C -2.424 172.403 174.990 -0.272 0.000 1.330 500 C CA -2.351 56.511 59.018 -0.259 0.000 1.470 500 C CB -0.765 26.878 27.740 -0.161 0.000 1.806 500 C HN 0.391 nan 8.230 nan 0.000 0.468 501 P HA 0.361 nan 4.420 nan 0.000 0.274 501 P C -0.263 176.959 177.300 -0.130 0.000 1.256 501 P CA 0.041 63.021 63.100 -0.200 0.000 0.795 501 P CB 0.588 32.198 31.700 -0.150 0.000 1.038 502 M N 0.302 119.839 119.600 -0.106 0.000 2.181 502 M HA 0.475 4.955 4.480 -0.000 0.000 0.323 502 M C -1.064 175.139 176.300 -0.161 0.000 1.004 502 M CA -0.624 54.490 55.300 -0.310 0.000 0.941 502 M CB 1.203 33.565 32.600 -0.396 0.000 1.579 502 M HN 0.265 nan 8.290 nan 0.000 0.427 503 Y N -0.218 120.251 120.300 0.281 0.000 4.272 503 Y HA -0.171 4.379 4.550 -0.000 0.000 0.232 503 Y C 0.358 176.441 175.900 0.305 0.000 1.149 503 Y CA 0.463 58.741 58.100 0.297 0.000 1.961 503 Y CB -2.536 36.095 38.460 0.286 0.000 1.611 503 Y HN 0.978 nan 8.280 nan 0.000 0.682 504 A N 0.819 123.861 122.820 0.370 0.000 2.388 504 A HA 0.665 4.985 4.320 -0.000 0.000 0.257 504 A C 0.699 178.512 177.584 0.382 0.000 1.095 504 A CA -0.488 51.774 52.037 0.376 0.000 0.791 504 A CB 0.458 19.673 19.000 0.358 0.000 1.029 504 A HN 0.388 nan 8.150 nan 0.000 0.489 505 R N 1.314 121.968 120.500 0.258 0.000 2.573 505 R HA 0.379 4.719 4.340 -0.000 0.000 0.272 505 R C 0.919 177.217 176.300 -0.004 0.000 1.009 505 R CA -0.786 55.391 56.100 0.128 0.000 1.059 505 R CB 1.193 31.537 30.300 0.072 0.000 1.112 505 R HN 0.472 nan 8.270 nan 0.000 0.517 506 V N 0.672 120.439 119.914 -0.246 0.000 2.407 506 V HA -0.191 3.929 4.120 -0.000 0.000 0.248 506 V C 0.708 176.714 176.094 -0.147 0.000 1.055 506 V CA 1.858 63.981 62.300 -0.295 0.000 1.049 506 V CB -0.291 31.235 31.823 -0.494 0.000 0.662 506 V HN 0.818 nan 8.190 nan 0.000 0.455 507 D N -1.651 118.696 120.400 -0.089 0.000 2.530 507 D HA 0.181 4.821 4.640 -0.000 0.000 0.253 507 D C 0.399 176.693 176.300 -0.010 0.000 1.338 507 D CA 0.039 54.013 54.000 -0.043 0.000 0.806 507 D CB 1.315 42.089 40.800 -0.043 0.000 1.160 507 D HN 0.445 nan 8.370 nan 0.000 0.514 508 E N 0.991 121.190 120.200 -0.003 0.000 2.288 508 E HA 0.255 4.605 4.350 -0.000 0.000 0.268 508 E C -1.369 175.231 176.600 0.000 0.000 0.885 508 E CA -0.599 55.800 56.400 -0.001 0.000 0.767 508 E CB 2.095 31.791 29.700 -0.007 0.000 1.220 508 E HN -0.179 nan 8.360 nan 0.000 0.427 509 D N 2.064 122.450 120.400 -0.023 0.000 2.181 509 D HA 0.228 4.868 4.640 -0.000 0.000 0.248 509 D C -0.751 175.417 176.300 -0.220 0.000 1.020 509 D CA -0.269 53.689 54.000 -0.070 0.000 0.891 509 D CB 1.497 42.307 40.800 0.016 0.000 1.187 509 D HN 0.276 nan 8.370 nan 0.000 0.443 510 Q N 1.247 120.787 119.800 -0.433 0.000 2.607 510 Q HA 0.285 4.625 4.340 -0.000 0.000 0.247 510 Q C -2.235 173.038 176.000 -1.211 0.000 1.033 510 Q CA -1.673 53.634 55.803 -0.827 0.000 0.769 510 Q CB 1.820 30.082 28.738 -0.793 0.000 1.169 510 Q HN 0.023 nan 8.270 nan 0.000 0.508 511 P HA -0.038 nan 4.420 nan 0.000 0.246 511 P C -0.841 176.175 177.300 -0.474 0.000 1.675 511 P CA 0.133 62.861 63.100 -0.620 0.000 0.908 511 P CB -0.571 30.940 31.700 -0.315 0.000 1.890 512 F N 2.073 121.869 119.950 -0.258 0.000 2.459 512 F HA 0.230 4.757 4.527 -0.000 0.000 0.346 512 F C -1.315 174.381 175.800 -0.173 0.000 1.128 512 F CA -2.773 55.123 58.000 -0.173 0.000 1.268 512 F CB -0.843 38.068 39.000 -0.148 0.000 1.161 512 F HN 0.051 nan 8.300 nan 0.000 0.583 513 P HA 0.276 nan 4.420 nan 0.000 0.275 513 P C 0.250 177.566 177.300 0.026 0.000 1.228 513 P CA 0.709 63.827 63.100 0.030 0.000 0.786 513 P CB 1.382 33.099 31.700 0.027 0.000 0.927 514 A N 2.641 125.469 122.820 0.013 0.000 1.282 514 A HA -0.270 4.050 4.320 -0.000 0.000 0.224 514 A C 0.901 178.493 177.584 0.014 0.000 0.457 514 A CA 2.099 54.147 52.037 0.018 0.000 1.095 514 A CB -2.824 16.185 19.000 0.015 0.000 1.470 514 A HN 0.812 nan 8.150 nan 0.000 0.723 515 V N -2.022 117.899 119.914 0.012 0.000 2.622 515 V HA 0.583 4.703 4.120 -0.000 0.000 0.296 515 V C -1.896 174.207 176.094 0.014 0.000 1.174 515 V CA -1.283 61.024 62.300 0.012 0.000 1.391 515 V CB 0.038 31.866 31.823 0.008 0.000 1.553 515 V HN 0.551 nan 8.190 nan 0.000 0.581 516 P HA 0.190 nan 4.420 nan 0.000 0.273 516 P C -0.529 176.415 177.300 -0.594 0.000 1.252 516 P CA 0.248 63.031 63.100 -0.528 0.000 0.809 516 P CB 0.514 31.507 31.700 -1.179 0.000 1.017 517 K N -0.034 119.881 120.400 -0.809 0.000 2.803 517 K HA 0.185 4.505 4.320 -0.000 0.000 0.229 517 K C -0.788 175.521 176.600 -0.485 0.000 1.084 517 K CA -0.223 55.807 56.287 -0.428 0.000 1.063 517 K CB 0.415 32.968 32.500 0.090 0.000 1.254 517 K HN 0.432 nan 8.250 nan 0.000 0.551 518 W N 1.099 122.079 121.300 -0.533 0.000 2.079 518 W HA 0.102 4.762 4.660 -0.000 0.000 0.354 518 W C 1.327 177.843 176.519 -0.004 0.000 1.302 518 W CA -0.440 56.689 57.345 -0.360 0.000 1.281 518 W CB 0.364 29.421 29.460 -0.671 0.000 1.165 518 W HN 0.307 nan 8.180 nan 0.000 0.603 519 S N 2.818 118.670 115.700 0.255 0.000 2.544 519 S HA -0.042 4.428 4.470 -0.000 0.000 0.290 519 S C 1.359 176.116 174.600 0.262 0.000 1.276 519 S CA -0.392 57.916 58.200 0.180 0.000 1.075 519 S CB -0.069 63.184 63.200 0.088 0.000 0.849 519 S HN 0.498 nan 8.310 nan 0.000 0.494 520 I N 3.067 123.782 120.570 0.240 0.000 2.315 520 I HA -0.233 3.937 4.170 -0.000 0.000 0.251 520 I C 1.856 178.048 176.117 0.124 0.000 1.125 520 I CA 1.490 62.938 61.300 0.248 0.000 1.392 520 I CB -0.526 37.556 38.000 0.137 0.000 1.065 520 I HN 0.612 nan 8.210 nan 0.000 0.424 521 K N 1.582 121.967 120.400 -0.024 0.000 2.148 521 K HA -0.163 4.157 4.320 -0.000 0.000 0.204 521 K C 2.214 178.857 176.600 0.072 0.000 1.050 521 K CA 1.655 57.880 56.287 -0.103 0.000 0.942 521 K CB -0.181 32.203 32.500 -0.194 0.000 0.724 521 K HN 0.442 nan 8.250 nan 0.000 0.446 522 K N 0.427 120.876 120.400 0.082 0.000 2.076 522 K HA -0.144 4.176 4.320 -0.000 0.000 0.204 522 K C 1.901 178.524 176.600 0.037 0.000 1.051 522 K CA 0.653 56.956 56.287 0.027 0.000 0.949 522 K CB -0.078 32.406 32.500 -0.027 0.000 0.726 522 K HN 0.146 nan 8.250 nan 0.000 0.443 523 W N 2.122 123.409 121.300 -0.021 0.000 2.317 523 W HA -0.233 4.427 4.660 -0.000 0.000 0.318 523 W C 1.648 178.150 176.519 -0.028 0.000 1.227 523 W CA 1.409 58.748 57.345 -0.011 0.000 1.269 523 W CB -0.827 28.700 29.460 0.112 0.000 1.155 523 W HN 0.125 nan 8.180 nan 0.000 0.484 524 L N 0.669 122.067 121.223 0.291 0.000 2.064 524 L HA -0.307 4.033 4.340 -0.000 0.000 0.216 524 L C 2.404 179.348 176.870 0.122 0.000 1.077 524 L CA 2.291 57.229 54.840 0.164 0.000 0.766 524 L CB -1.265 40.884 42.059 0.150 0.000 0.890 524 L HN 0.077 nan 8.230 nan 0.000 0.435 525 S N -1.211 114.544 115.700 0.091 0.000 2.577 525 S HA 0.164 4.634 4.470 -0.000 0.000 0.219 525 S C 0.652 175.238 174.600 -0.023 0.000 0.962 525 S CA -0.517 57.703 58.200 0.033 0.000 0.921 525 S CB -0.345 62.873 63.200 0.029 0.000 0.789 525 S HN 0.196 nan 8.310 nan 0.000 0.497 526 L N 2.495 123.693 121.223 -0.042 0.000 2.514 526 L HA 0.240 4.580 4.340 -0.000 0.000 0.280 526 L C -2.173 174.659 176.870 -0.063 0.000 1.223 526 L CA -1.739 53.023 54.840 -0.129 0.000 0.864 526 L CB -0.179 41.762 42.059 -0.196 0.000 1.118 526 L HN 0.100 nan 8.230 nan 0.000 0.494 527 P HA -0.002 nan 4.420 nan 0.000 0.257 527 P C 0.742 178.031 177.300 -0.019 0.000 1.189 527 P CA 1.021 64.094 63.100 -0.044 0.000 0.780 527 P CB 0.518 32.187 31.700 -0.050 0.000 0.772 528 G N 2.445 111.244 108.800 -0.003 0.000 2.376 528 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.208 528 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.208 528 G C 0.122 175.037 174.900 0.025 0.000 1.032 528 G CA -0.491 44.616 45.100 0.011 0.000 0.641 528 G HN 0.493 nan 8.290 nan 0.000 0.503 529 E N 1.553 121.774 120.200 0.036 0.000 2.414 529 E HA 0.417 4.767 4.350 -0.000 0.000 0.263 529 E C 1.306 177.930 176.600 0.041 0.000 1.000 529 E CA 1.157 57.591 56.400 0.056 0.000 0.914 529 E CB 1.124 30.886 29.700 0.105 0.000 0.948 529 E HN 0.696 nan 8.360 nan 0.000 0.444 530 T N -0.084 114.490 114.554 0.034 0.000 3.131 530 T HA 0.214 4.564 4.350 -0.000 0.000 0.283 530 T C 0.760 175.471 174.700 0.018 0.000 0.906 530 T CA -0.428 61.688 62.100 0.026 0.000 0.882 530 T CB 0.527 69.408 68.868 0.022 0.000 1.208 530 T HN 0.144 nan 8.240 nan 0.000 0.561 531 R N 2.387 122.894 120.500 0.013 0.000 2.707 531 R HA 0.450 4.790 4.340 -0.000 0.000 0.270 531 R C -2.493 173.793 176.300 -0.023 0.000 1.083 531 R CA -1.684 54.413 56.100 -0.004 0.000 1.182 531 R CB 0.247 30.537 30.300 -0.016 0.000 1.084 531 R HN 0.240 nan 8.270 nan 0.000 0.528 532 P HA 0.093 nan 4.420 nan 0.000 0.276 532 P C -1.293 175.943 177.300 -0.108 0.000 1.252 532 P CA -0.342 62.723 63.100 -0.058 0.000 0.802 532 P CB 0.642 32.309 31.700 -0.055 0.000 1.035 533 L N 2.560 123.700 121.223 -0.139 0.000 2.356 533 L HA 0.576 4.916 4.340 -0.000 0.000 0.277 533 L C -1.160 175.567 176.870 -0.239 0.000 0.996 533 L CA -0.802 53.912 54.840 -0.211 0.000 0.822 533 L CB 0.207 42.140 42.059 -0.211 0.000 1.256 533 L HN 0.301 nan 8.230 nan 0.000 0.413 534 I N 5.917 126.345 120.570 -0.237 0.000 2.534 534 I HA 0.269 4.439 4.170 -0.000 0.000 0.286 534 I C -0.792 175.217 176.117 -0.181 0.000 1.094 534 I CA -0.579 60.576 61.300 -0.240 0.000 1.055 534 I CB 2.013 39.936 38.000 -0.129 0.000 1.225 534 I HN 0.433 nan 8.210 nan 0.000 0.435 535 L N 5.546 126.626 121.223 -0.238 0.000 2.410 535 L HA 0.107 4.447 4.340 -0.000 0.000 0.273 535 L C 1.400 178.296 176.870 0.043 0.000 1.144 535 L CA -0.267 54.491 54.840 -0.138 0.000 0.863 535 L CB 0.594 42.556 42.059 -0.162 0.000 1.140 535 L HN 0.842 nan 8.230 nan 0.000 0.463 536 C N 0.010 119.317 119.300 0.012 0.000 2.539 536 C HA 0.235 4.695 4.460 -0.000 0.000 0.268 536 C C 0.641 175.727 174.990 0.159 0.000 1.395 536 C CA -0.315 58.740 59.018 0.061 0.000 1.757 536 C CB -1.156 26.545 27.740 -0.065 0.000 1.851 536 C HN 0.858 nan 8.230 nan 0.000 0.545 537 E N -0.513 119.740 120.200 0.088 0.000 2.343 537 E HA 0.533 4.883 4.350 -0.000 0.000 0.288 537 E C -1.450 175.134 176.600 -0.028 0.000 0.907 537 E CA -0.323 56.112 56.400 0.058 0.000 0.792 537 E CB 1.868 31.396 29.700 -0.287 0.000 1.275 537 E HN 0.539 nan 8.360 nan 0.000 0.402 538 Y N 0.252 120.578 120.300 0.042 0.000 2.624 538 Y HA 0.650 5.200 4.550 -0.000 0.000 0.334 538 Y C -0.708 175.369 175.900 0.295 0.000 1.155 538 Y CA -0.893 57.262 58.100 0.092 0.000 1.046 538 Y CB 0.771 39.134 38.460 -0.161 0.000 1.316 538 Y HN 0.625 nan 8.280 nan 0.000 0.457 539 A N 2.366 125.195 122.820 0.014 0.000 2.429 539 A HA -0.223 4.097 4.320 -0.000 0.000 0.290 539 A C -0.373 177.312 177.584 0.168 0.000 1.439 539 A CA 0.896 52.945 52.037 0.019 0.000 0.731 539 A CB -2.626 16.290 19.000 -0.140 0.000 1.138 539 A HN 1.233 nan 8.150 nan 0.000 0.384 540 H N 0.810 119.992 119.070 0.186 0.000 3.276 540 H HA 0.244 4.800 4.556 -0.000 0.000 0.247 540 H C 1.234 176.599 175.328 0.063 0.000 0.991 540 H CA 1.013 57.170 56.048 0.181 0.000 1.431 540 H CB 0.293 30.017 29.762 -0.065 0.000 1.548 540 H HN 0.829 nan 8.280 nan 0.000 0.513 541 A N 6.379 129.196 122.820 -0.005 0.000 2.324 541 A HA 0.018 4.338 4.320 -0.000 0.000 0.240 541 A C 1.096 178.650 177.584 -0.051 0.000 1.347 541 A CA -0.281 51.714 52.037 -0.070 0.000 1.036 541 A CB -0.668 18.224 19.000 -0.180 0.000 0.917 541 A HN 0.773 nan 8.150 nan 0.000 0.519 542 M N 1.153 120.805 119.600 0.086 0.000 2.143 542 M HA 0.426 4.906 4.480 -0.000 0.000 0.348 542 M C 1.097 177.296 176.300 -0.169 0.000 1.375 542 M CA 1.154 56.463 55.300 0.014 0.000 1.124 542 M CB -0.068 32.623 32.600 0.152 0.000 1.669 542 M HN 0.754 nan 8.290 nan 0.000 0.469 543 G N 4.344 112.996 108.800 -0.246 0.000 2.582 543 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.288 543 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.288 543 G C -0.122 174.364 174.900 -0.690 0.000 1.247 543 G CA -0.067 44.716 45.100 -0.528 0.000 0.972 543 G HN 0.815 nan 8.290 nan 0.000 0.557 544 N N 1.400 119.547 118.700 -0.922 0.000 2.402 544 N HA 0.491 5.231 4.740 -0.000 0.000 0.259 544 N C -0.115 175.144 175.510 -0.419 0.000 1.167 544 N CA 1.030 53.655 53.050 -0.708 0.000 0.949 544 N CB 0.563 38.639 38.487 -0.685 0.000 1.212 544 N HN 0.678 nan 8.380 nan 0.000 0.493 545 S N 1.845 117.376 115.700 -0.282 0.000 2.903 545 S HA 0.631 5.101 4.470 -0.000 0.000 0.314 545 S C -0.108 174.407 174.600 -0.141 0.000 1.177 545 S CA -0.438 57.650 58.200 -0.187 0.000 0.859 545 S CB 0.480 63.610 63.200 -0.117 0.000 1.265 545 S HN 0.491 nan 8.310 nan 0.000 0.584 546 L N 0.173 121.349 121.223 -0.078 0.000 4.263 546 L HA -0.059 4.281 4.340 -0.000 0.000 0.393 546 L C 0.384 177.271 176.870 0.029 0.000 1.123 546 L CA 0.477 55.296 54.840 -0.035 0.000 0.981 546 L CB -1.560 40.391 42.059 -0.180 0.000 2.145 546 L HN 0.678 nan 8.230 nan 0.000 0.656 547 G N -0.805 107.988 108.800 -0.011 0.000 2.358 547 G HA2 0.483 4.443 3.960 -0.000 0.000 0.273 547 G HA3 0.483 4.443 3.960 -0.000 0.000 0.273 547 G C 1.166 176.093 174.900 0.046 0.000 1.215 547 G CA 0.338 45.407 45.100 -0.052 0.000 0.910 547 G HN 1.102 nan 8.290 nan 0.000 0.467 548 G N 2.179 111.009 108.800 0.049 0.000 2.259 548 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.217 548 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.217 548 G C 1.167 176.240 174.900 0.289 0.000 1.001 548 G CA 0.536 45.717 45.100 0.134 0.000 0.627 548 G HN 0.688 nan 8.290 nan 0.000 0.501 549 F N 2.207 122.270 119.950 0.189 0.000 2.257 549 F HA 0.047 4.574 4.527 -0.000 0.000 0.302 549 F C 2.575 178.564 175.800 0.315 0.000 1.056 549 F CA 2.591 60.766 58.000 0.291 0.000 1.353 549 F CB -0.004 39.108 39.000 0.186 0.000 1.064 549 F HN 0.412 nan 8.300 nan 0.000 0.520 550 A N -1.353 121.632 122.820 0.274 0.000 2.095 550 A HA -0.012 4.308 4.320 -0.000 0.000 0.212 550 A C 2.154 179.783 177.584 0.075 0.000 1.162 550 A CA 0.412 52.563 52.037 0.191 0.000 0.753 550 A CB -0.373 18.732 19.000 0.175 0.000 0.840 550 A HN 0.290 nan 8.150 nan 0.000 0.468 551 K N -1.317 119.104 120.400 0.035 0.000 2.147 551 K HA -0.148 4.172 4.320 -0.000 0.000 0.205 551 K C 1.479 177.900 176.600 -0.299 0.000 1.049 551 K CA 1.512 57.742 56.287 -0.094 0.000 0.936 551 K CB -0.243 32.192 32.500 -0.109 0.000 0.722 551 K HN 0.614 nan 8.250 nan 0.000 0.446 552 Y N -1.029 119.049 120.300 -0.370 0.000 2.153 552 Y HA -0.201 4.349 4.550 -0.000 0.000 0.289 552 Y C 1.881 176.943 175.900 -1.397 0.000 1.127 552 Y CA 1.310 58.875 58.100 -0.891 0.000 1.131 552 Y CB -0.373 37.518 38.460 -0.949 0.000 0.995 552 Y HN 0.133 nan 8.280 nan 0.000 0.505 553 W N 0.390 121.311 121.300 -0.633 0.000 2.392 553 W HA -0.183 4.477 4.660 -0.000 0.000 0.279 553 W C 2.568 178.933 176.519 -0.256 0.000 1.225 553 W CA 1.653 58.727 57.345 -0.452 0.000 1.233 553 W CB -0.537 28.770 29.460 -0.255 0.000 1.122 553 W HN 0.144 nan 8.180 nan 0.000 0.561 554 Q N 0.294 120.026 119.800 -0.113 0.000 2.123 554 Q HA -0.136 4.204 4.340 -0.000 0.000 0.199 554 Q C 2.243 178.203 176.000 -0.067 0.000 0.966 554 Q CA 1.662 57.444 55.803 -0.036 0.000 0.845 554 Q CB -0.246 28.484 28.738 -0.014 0.000 0.907 554 Q HN 0.223 nan 8.270 nan 0.000 0.439 555 A N 0.770 123.450 122.820 -0.233 0.000 1.841 555 A HA -0.153 4.167 4.320 -0.000 0.000 0.214 555 A C 1.723 179.288 177.584 -0.033 0.000 1.195 555 A CA 1.234 53.149 52.037 -0.203 0.000 0.611 555 A CB -0.987 17.783 19.000 -0.384 0.000 0.835 555 A HN 0.434 nan 8.150 nan 0.000 0.443 556 F N 0.348 120.140 119.950 -0.263 0.000 2.063 556 F HA -0.223 4.304 4.527 -0.000 0.000 0.298 556 F C 2.465 178.209 175.800 -0.095 0.000 1.105 556 F CA 1.596 59.421 58.000 -0.291 0.000 1.215 556 F CB -1.083 37.543 39.000 -0.624 0.000 0.972 556 F HN 0.191 nan 8.300 nan 0.000 0.483 557 R N 0.094 120.697 120.500 0.171 0.000 2.328 557 R HA -0.137 4.203 4.340 -0.000 0.000 0.207 557 R C 1.904 178.284 176.300 0.133 0.000 1.056 557 R CA 0.880 57.070 56.100 0.151 0.000 1.016 557 R CB -0.334 30.049 30.300 0.139 0.000 0.872 557 R HN 0.517 nan 8.270 nan 0.000 0.471 558 Q N -0.654 119.262 119.800 0.193 0.000 2.280 558 Q HA 0.042 4.382 4.340 -0.000 0.000 0.228 558 Q C -0.726 175.376 176.000 0.169 0.000 0.857 558 Q CA 0.081 55.995 55.803 0.186 0.000 0.939 558 Q CB 0.750 29.608 28.738 0.199 0.000 1.114 558 Q HN 0.135 nan 8.270 nan 0.000 0.514 559 Y N 0.762 121.071 120.300 0.014 0.000 2.356 559 Y HA 0.338 4.888 4.550 -0.000 0.000 0.334 559 Y C -1.809 174.089 175.900 -0.003 0.000 0.958 559 Y CA -2.769 55.336 58.100 0.008 0.000 1.196 559 Y CB 1.563 40.032 38.460 0.016 0.000 1.137 559 Y HN 0.089 nan 8.280 nan 0.000 0.485 560 P HA -0.169 nan 4.420 nan 0.000 0.216 560 P C 1.181 178.503 177.300 0.038 0.000 1.150 560 P CA 1.641 64.765 63.100 0.041 0.000 0.843 560 P CB 0.356 32.060 31.700 0.008 0.000 0.787 561 R N -1.015 119.526 120.500 0.068 0.000 2.280 561 R HA 0.076 4.416 4.340 -0.000 0.000 0.207 561 R C 0.564 176.859 176.300 -0.009 0.000 1.043 561 R CA 0.219 56.339 56.100 0.033 0.000 1.006 561 R CB -0.529 29.796 30.300 0.042 0.000 0.885 561 R HN 0.283 nan 8.270 nan 0.000 0.467 562 L N 1.924 123.159 121.223 0.020 0.000 2.295 562 L HA 0.117 4.457 4.340 -0.000 0.000 0.288 562 L C 0.770 177.499 176.870 -0.234 0.000 1.079 562 L CA 0.175 54.966 54.840 -0.080 0.000 0.830 562 L CB 1.132 43.222 42.059 0.052 0.000 1.200 562 L HN 0.023 nan 8.230 nan 0.000 0.438 563 Q N 2.887 122.459 119.800 -0.381 0.000 2.172 563 Q HA 0.356 4.696 4.340 -0.000 0.000 0.217 563 Q C 0.674 176.294 176.000 -0.634 0.000 0.832 563 Q CA 0.015 55.582 55.803 -0.394 0.000 1.010 563 Q CB 1.276 29.882 28.738 -0.220 0.000 1.133 563 Q HN 0.929 nan 8.270 nan 0.000 0.489 564 G N -0.401 107.622 108.800 -1.296 0.000 2.409 564 G HA2 0.179 4.139 3.960 -0.000 0.000 0.421 564 G HA3 0.179 4.139 3.960 -0.000 0.000 0.421 564 G C -0.527 173.614 174.900 -1.264 0.000 1.259 564 G CA -0.731 43.451 45.100 -1.529 0.000 1.011 564 G HN 0.451 nan 8.290 nan 0.000 0.497 565 G N -2.141 106.163 108.800 -0.827 0.000 2.495 565 G HA2 0.700 4.660 3.960 -0.000 0.000 0.294 565 G HA3 0.700 4.660 3.960 -0.000 0.000 0.294 565 G C -1.891 172.901 174.900 -0.180 0.000 1.397 565 G CA -0.502 44.276 45.100 -0.536 0.000 0.790 565 G HN 1.059 nan 8.290 nan 0.000 0.486 566 F N 0.563 120.669 119.950 0.259 0.000 2.427 566 F HA 0.511 5.038 4.527 -0.000 0.000 0.348 566 F C 0.584 176.716 175.800 0.553 0.000 1.125 566 F CA -0.759 57.472 58.000 0.385 0.000 0.989 566 F CB 2.152 41.279 39.000 0.210 0.000 1.165 566 F HN 0.209 nan 8.300 nan 0.000 0.442 567 V N 3.835 124.103 119.914 0.590 0.000 2.637 567 V HA -0.063 4.057 4.120 -0.000 0.000 0.296 567 V C -0.334 175.901 176.094 0.236 0.000 1.046 567 V CA -0.369 62.084 62.300 0.255 0.000 1.066 567 V CB 0.805 32.744 31.823 0.192 0.000 0.968 567 V HN 0.738 nan 8.190 nan 0.000 0.483 568 W N 6.942 128.297 121.300 0.091 0.000 2.329 568 W HA 0.441 5.101 4.660 -0.000 0.000 0.312 568 W C -0.630 175.832 176.519 -0.095 0.000 1.054 568 W CA -0.635 56.751 57.345 0.068 0.000 1.245 568 W CB 1.447 31.027 29.460 0.201 0.000 1.255 568 W HN 0.840 nan 8.180 nan 0.000 0.436 569 D N 3.932 124.002 120.400 -0.550 0.000 2.636 569 D HA 0.079 4.719 4.640 -0.000 0.000 0.275 569 D C 0.440 176.489 176.300 -0.418 0.000 1.130 569 D CA -0.516 52.989 54.000 -0.824 0.000 1.031 569 D CB 0.669 40.377 40.800 -1.819 0.000 1.451 569 D HN 0.526 nan 8.370 nan 0.000 0.505 570 W N 1.361 122.346 121.300 -0.525 0.000 2.408 570 W HA 0.109 4.769 4.660 -0.000 0.000 0.311 570 W C -0.243 176.061 176.519 -0.358 0.000 1.190 570 W CA 0.819 57.916 57.345 -0.414 0.000 1.321 570 W CB 0.435 29.682 29.460 -0.355 0.000 1.143 570 W HN 0.142 nan 8.180 nan 0.000 0.501 571 V N 2.464 122.124 119.914 -0.425 0.000 2.823 571 V HA 0.271 4.391 4.120 -0.000 0.000 0.312 571 V C -0.789 175.137 176.094 -0.280 0.000 1.072 571 V CA -0.849 61.195 62.300 -0.426 0.000 0.937 571 V CB 1.806 33.495 31.823 -0.223 0.000 1.013 571 V HN -0.122 nan 8.190 nan 0.000 0.430 572 D N 3.777 124.038 120.400 -0.233 0.000 2.389 572 D HA 0.180 4.820 4.640 -0.000 0.000 0.247 572 D C -0.072 176.126 176.300 -0.171 0.000 1.128 572 D CA 0.251 54.160 54.000 -0.152 0.000 0.884 572 D CB 1.307 42.094 40.800 -0.021 0.000 1.194 572 D HN 0.574 nan 8.370 nan 0.000 0.441 573 Q N 0.896 120.532 119.800 -0.273 0.000 3.170 573 Q HA 0.097 4.437 4.340 -0.000 0.000 0.346 573 Q C -0.007 175.917 176.000 -0.126 0.000 1.333 573 Q CA -0.274 55.202 55.803 -0.545 0.000 0.958 573 Q CB 0.184 28.678 28.738 -0.406 0.000 1.600 573 Q HN 0.298 nan 8.270 nan 0.000 0.482 574 S N 0.404 116.108 115.700 0.007 0.000 2.499 574 S HA 0.520 4.990 4.470 -0.000 0.000 0.279 574 S C -0.259 174.478 174.600 0.228 0.000 1.219 574 S CA -0.746 57.586 58.200 0.218 0.000 1.062 574 S CB 0.758 64.071 63.200 0.187 0.000 0.978 574 S HN 0.355 nan 8.310 nan 0.000 0.489 575 L N 3.699 124.982 121.223 0.099 0.000 2.334 575 L HA 0.574 4.914 4.340 -0.000 0.000 0.272 575 L C 0.210 176.977 176.870 -0.172 0.000 1.020 575 L CA -1.066 53.713 54.840 -0.101 0.000 0.812 575 L CB 1.251 43.066 42.059 -0.407 0.000 1.264 575 L HN 0.608 nan 8.230 nan 0.000 0.439 576 I N 1.728 122.151 120.570 -0.244 0.000 2.581 576 I HA 0.261 4.431 4.170 -0.000 0.000 0.288 576 I C 0.129 175.894 176.117 -0.587 0.000 1.047 576 I CA -0.149 60.889 61.300 -0.437 0.000 1.374 576 I CB 0.957 38.736 38.000 -0.368 0.000 1.423 576 I HN 0.634 nan 8.210 nan 0.000 0.549 577 K N 4.107 123.851 120.400 -1.093 0.000 2.367 577 K HA 0.622 4.942 4.320 -0.000 0.000 0.272 577 K C -1.826 173.999 176.600 -1.291 0.000 1.046 577 K CA -0.862 54.744 56.287 -1.135 0.000 0.895 577 K CB 2.449 34.016 32.500 -1.555 0.000 1.512 577 K HN 0.291 nan 8.250 nan 0.000 0.433 578 Y N 0.095 120.306 120.300 -0.148 0.000 2.597 578 Y HA 0.196 4.746 4.550 -0.000 0.000 0.340 578 Y C -0.839 175.272 175.900 0.351 0.000 1.097 578 Y CA -1.080 57.132 58.100 0.186 0.000 1.037 578 Y CB 1.670 40.158 38.460 0.047 0.000 1.305 578 Y HN 0.676 nan 8.280 nan 0.000 0.463 579 D N -1.192 119.444 120.400 0.394 0.000 2.442 579 D HA 0.297 4.937 4.640 -0.000 0.000 0.254 579 D C 0.319 176.696 176.300 0.129 0.000 1.069 579 D CA -0.722 53.390 54.000 0.186 0.000 1.017 579 D CB 0.841 41.672 40.800 0.053 0.000 1.172 579 D HN 0.615 nan 8.370 nan 0.000 0.561 580 E N -0.652 119.584 120.200 0.060 0.000 2.147 580 E HA -0.225 4.125 4.350 -0.000 0.000 0.199 580 E C 1.186 177.808 176.600 0.036 0.000 1.005 580 E CA 1.369 57.789 56.400 0.034 0.000 0.810 580 E CB -0.164 29.540 29.700 0.006 0.000 0.736 580 E HN 0.401 nan 8.360 nan 0.000 0.460 581 N N -0.756 117.969 118.700 0.043 0.000 2.457 581 N HA -0.053 4.687 4.740 -0.000 0.000 0.180 581 N C 1.214 176.764 175.510 0.067 0.000 1.050 581 N CA 0.975 54.051 53.050 0.042 0.000 0.906 581 N CB 0.810 39.314 38.487 0.029 0.000 0.968 581 N HN 0.306 nan 8.380 nan 0.000 0.445 582 G N 1.087 109.956 108.800 0.114 0.000 2.159 582 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.227 582 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.227 582 G C -0.317 174.741 174.900 0.264 0.000 0.986 582 G CA -0.512 44.679 45.100 0.152 0.000 0.651 582 G HN 0.260 nan 8.290 nan 0.000 0.523 583 N N 1.833 120.666 118.700 0.222 0.000 2.514 583 N HA 0.454 5.194 4.740 -0.000 0.000 0.277 583 N C -2.858 172.785 175.510 0.223 0.000 1.126 583 N CA -1.039 52.128 53.050 0.196 0.000 0.978 583 N CB 1.427 39.984 38.487 0.117 0.000 1.106 583 N HN 0.141 nan 8.380 nan 0.000 0.461 584 P HA 0.269 nan 4.420 nan 0.000 0.293 584 P C -0.582 176.612 177.300 -0.178 0.000 1.300 584 P CA -0.367 62.530 63.100 -0.339 0.000 0.792 584 P CB 0.325 31.845 31.700 -0.301 0.000 0.925 585 W N 0.966 121.955 121.300 -0.517 0.000 2.957 585 W HA 0.403 5.063 4.660 -0.000 0.000 0.336 585 W C -0.968 175.332 176.519 -0.365 0.000 1.087 585 W CA -1.187 55.874 57.345 -0.473 0.000 1.235 585 W CB 0.044 28.968 29.460 -0.892 0.000 1.399 585 W HN 0.125 nan 8.180 nan 0.000 0.480 586 S N 2.238 117.855 115.700 -0.137 0.000 2.596 586 S HA 0.349 4.819 4.470 -0.000 0.000 0.298 586 S C 0.429 175.012 174.600 -0.028 0.000 1.255 586 S CA 0.259 58.403 58.200 -0.093 0.000 1.083 586 S CB 0.263 63.498 63.200 0.057 0.000 0.837 586 S HN 0.617 nan 8.310 nan 0.000 0.499 587 A N 3.068 125.775 122.820 -0.188 0.000 2.320 587 A HA 0.849 5.169 4.320 -0.000 0.000 0.334 587 A C -0.541 177.216 177.584 0.289 0.000 1.147 587 A CA -0.770 51.197 52.037 -0.117 0.000 0.820 587 A CB 0.668 19.381 19.000 -0.479 0.000 1.218 587 A HN 0.860 nan 8.150 nan 0.000 0.482 588 Y N -1.045 119.508 120.300 0.421 0.000 2.705 588 Y HA 0.745 5.295 4.550 -0.000 0.000 0.332 588 Y C 0.491 176.676 175.900 0.475 0.000 1.157 588 Y CA -1.481 56.861 58.100 0.403 0.000 1.091 588 Y CB 0.070 38.600 38.460 0.116 0.000 1.301 588 Y HN 1.009 nan 8.280 nan 0.000 0.488 589 G N 0.088 109.155 108.800 0.444 0.000 2.368 589 G HA2 0.381 4.341 3.960 -0.000 0.000 0.233 589 G HA3 0.381 4.341 3.960 -0.000 0.000 0.233 589 G C 0.838 176.050 174.900 0.520 0.000 1.267 589 G CA 0.682 45.992 45.100 0.351 0.000 0.873 589 G HN 2.013 nan 8.290 nan 0.000 0.539 590 G N 2.088 111.174 108.800 0.477 0.000 3.211 590 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.206 590 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.206 590 G C 0.801 175.915 174.900 0.357 0.000 1.418 590 G CA 0.487 45.815 45.100 0.379 0.000 0.958 590 G HN 0.753 nan 8.290 nan 0.000 0.567 591 D N 0.953 121.541 120.400 0.313 0.000 2.478 591 D HA 0.158 4.798 4.640 -0.000 0.000 0.260 591 D C 0.650 176.769 176.300 -0.302 0.000 1.291 591 D CA 0.951 54.978 54.000 0.046 0.000 1.008 591 D CB -0.632 40.112 40.800 -0.093 0.000 0.970 591 D HN 0.459 nan 8.370 nan 0.000 0.491 592 F N -1.773 118.293 119.950 0.193 0.000 3.169 592 F HA 0.222 4.749 4.527 -0.000 0.000 0.342 592 F C 1.489 177.381 175.800 0.155 0.000 1.268 592 F CA -0.322 57.766 58.000 0.147 0.000 0.940 592 F CB 0.342 39.434 39.000 0.154 0.000 1.561 592 F HN 0.009 nan 8.300 nan 0.000 0.495 593 G N 1.514 110.486 108.800 0.286 0.000 2.225 593 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.267 593 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.267 593 G C -0.356 174.691 174.900 0.245 0.000 1.024 593 G CA 0.413 45.646 45.100 0.221 0.000 0.784 593 G HN 0.400 nan 8.290 nan 0.000 0.507 594 D N 0.878 121.471 120.400 0.321 0.000 2.348 594 D HA 0.457 5.097 4.640 -0.000 0.000 0.253 594 D C 0.275 176.704 176.300 0.215 0.000 1.161 594 D CA 0.405 54.577 54.000 0.287 0.000 0.876 594 D CB 1.071 42.087 40.800 0.360 0.000 1.160 594 D HN 0.221 nan 8.370 nan 0.000 0.459 595 T N 1.335 115.988 114.554 0.165 0.000 2.921 595 T HA 0.560 4.910 4.350 -0.000 0.000 0.297 595 T C -2.166 172.584 174.700 0.083 0.000 1.013 595 T CA -1.155 61.015 62.100 0.116 0.000 0.990 595 T CB 1.945 70.874 68.868 0.103 0.000 1.023 595 T HN 0.319 nan 8.240 nan 0.000 0.447 596 P HA 0.599 nan 4.420 nan 0.000 0.284 596 P C -1.136 176.189 177.300 0.041 0.000 1.292 596 P CA -0.701 62.423 63.100 0.041 0.000 0.800 596 P CB 0.872 32.571 31.700 -0.000 0.000 1.188 597 N N -1.628 117.105 118.700 0.055 0.000 2.853 597 N HA 0.172 4.912 4.740 -0.000 0.000 0.258 597 N C -1.025 174.534 175.510 0.082 0.000 1.444 597 N CA -0.501 52.595 53.050 0.076 0.000 0.837 597 N CB 1.053 39.658 38.487 0.196 0.000 1.489 597 N HN 0.264 nan 8.380 nan 0.000 0.529 598 D N -0.500 120.009 120.400 0.182 0.000 2.538 598 D HA 0.141 4.781 4.640 -0.000 0.000 0.231 598 D C 0.428 176.937 176.300 0.349 0.000 1.229 598 D CA -0.115 54.039 54.000 0.256 0.000 0.828 598 D CB 1.257 42.118 40.800 0.102 0.000 1.035 598 D HN 0.635 nan 8.370 nan 0.000 0.495 599 R N 0.317 120.968 120.500 0.250 0.000 3.869 599 R HA -0.362 3.978 4.340 -0.000 0.000 0.424 599 R C 0.833 177.001 176.300 -0.220 0.000 0.241 599 R CA 1.534 57.706 56.100 0.121 0.000 1.351 599 R CB -1.471 28.859 30.300 0.051 0.000 0.979 599 R HN 0.046 nan 8.270 nan 0.000 0.572 600 Q N 0.464 119.877 119.800 -0.645 0.000 2.444 600 Q HA 0.226 4.566 4.340 -0.000 0.000 0.206 600 Q C 1.435 177.099 176.000 -0.560 0.000 0.948 600 Q CA 0.879 56.144 55.803 -0.897 0.000 0.946 600 Q CB -0.004 28.040 28.738 -1.157 0.000 1.027 600 Q HN 0.395 nan 8.270 nan 0.000 0.513 601 F N 0.757 120.516 119.950 -0.318 0.000 2.449 601 F HA -0.159 4.368 4.527 -0.000 0.000 0.299 601 F C 1.607 177.310 175.800 -0.163 0.000 1.092 601 F CA 0.299 58.216 58.000 -0.139 0.000 1.446 601 F CB -0.257 38.750 39.000 0.011 0.000 1.084 601 F HN 0.359 nan 8.300 nan 0.000 0.567 602 C N -1.384 117.654 119.300 -0.436 0.000 2.613 602 C HA 0.366 4.826 4.460 -0.000 0.000 0.273 602 C C 0.713 175.548 174.990 -0.258 0.000 1.304 602 C CA -0.555 58.124 59.018 -0.565 0.000 1.702 602 C CB -1.952 25.012 27.740 -1.293 0.000 1.792 602 C HN 0.164 nan 8.230 nan 0.000 0.588 603 M N 3.021 122.523 119.600 -0.164 0.000 2.022 603 M HA 0.369 4.849 4.480 -0.000 0.000 0.298 603 M C -0.644 175.614 176.300 -0.070 0.000 0.909 603 M CA 0.182 55.416 55.300 -0.110 0.000 0.914 603 M CB 0.800 33.358 32.600 -0.070 0.000 1.486 603 M HN 0.199 nan 8.290 nan 0.000 0.415 604 N N 1.518 120.168 118.700 -0.084 0.000 2.387 604 N HA 0.169 4.909 4.740 -0.000 0.000 0.259 604 N C 0.164 175.517 175.510 -0.263 0.000 1.369 604 N CA -0.176 52.817 53.050 -0.095 0.000 0.867 604 N CB 1.299 39.787 38.487 0.003 0.000 1.341 604 N HN 0.737 nan 8.380 nan 0.000 0.495 605 G N 0.031 108.624 108.800 -0.346 0.000 2.580 605 G HA2 0.451 4.411 3.960 -0.000 0.000 0.278 605 G HA3 0.451 4.411 3.960 -0.000 0.000 0.278 605 G C 0.732 175.172 174.900 -0.767 0.000 1.212 605 G CA -0.423 44.343 45.100 -0.555 0.000 0.939 605 G HN 0.145 nan 8.290 nan 0.000 0.513 606 L N -0.508 120.192 121.223 -0.873 0.000 2.638 606 L HA 0.245 4.585 4.340 -0.000 0.000 0.232 606 L C 0.408 176.641 176.870 -1.063 0.000 1.099 606 L CA 0.161 54.507 54.840 -0.822 0.000 0.883 606 L CB 0.525 42.229 42.059 -0.591 0.000 1.136 606 L HN 0.395 nan 8.230 nan 0.000 0.492 607 V N -4.546 114.635 119.914 -1.222 0.000 3.049 607 V HA 0.520 4.639 4.120 -0.000 0.000 0.309 607 V C -0.607 175.041 176.094 -0.744 0.000 1.148 607 V CA -1.013 60.720 62.300 -0.944 0.000 0.990 607 V CB 2.001 33.356 31.823 -0.781 0.000 1.039 607 V HN -0.116 nan 8.190 nan 0.000 0.430 608 F N 2.442 122.272 119.950 -0.200 0.000 2.459 608 F HA 0.595 5.122 4.527 -0.000 0.000 0.346 608 F C 1.858 177.589 175.800 -0.115 0.000 1.128 608 F CA 0.597 58.579 58.000 -0.032 0.000 1.268 608 F CB 1.197 40.216 39.000 0.031 0.000 1.161 608 F HN 0.865 nan 8.300 nan 0.000 0.583 609 A N 1.434 124.346 122.820 0.153 0.000 2.148 609 A HA -0.259 4.061 4.320 -0.000 0.000 0.222 609 A C 1.412 178.989 177.584 -0.011 0.000 1.161 609 A CA 2.040 54.123 52.037 0.077 0.000 0.662 609 A CB -1.249 17.836 19.000 0.143 0.000 0.799 609 A HN 0.833 nan 8.150 nan 0.000 0.466 610 D N -3.841 116.571 120.400 0.021 0.000 2.358 610 D HA 0.303 4.943 4.640 -0.000 0.000 0.224 610 D C 0.632 176.941 176.300 0.014 0.000 1.123 610 D CA -0.372 53.612 54.000 -0.027 0.000 0.833 610 D CB 0.120 40.895 40.800 -0.042 0.000 0.946 610 D HN 0.121 nan 8.370 nan 0.000 0.505 611 R N -1.114 119.395 120.500 0.015 0.000 3.951 611 R HA -0.131 4.209 4.340 -0.000 0.000 0.352 611 R C -0.572 175.746 176.300 0.030 0.000 1.178 611 R CA 1.298 57.401 56.100 0.005 0.000 0.949 611 R CB -3.314 27.018 30.300 0.054 0.000 1.452 611 R HN 0.524 nan 8.270 nan 0.000 0.540 612 T N -1.000 113.618 114.554 0.106 0.000 2.743 612 T HA 0.589 4.939 4.350 -0.000 0.000 0.293 612 T C -2.193 172.636 174.700 0.214 0.000 0.945 612 T CA -1.958 60.249 62.100 0.179 0.000 1.030 612 T CB 1.917 70.916 68.868 0.219 0.000 0.912 612 T HN -0.175 nan 8.240 nan 0.000 0.483 613 P HA 0.178 nan 4.420 nan 0.000 0.270 613 P C -0.296 177.038 177.300 0.057 0.000 1.227 613 P CA -0.220 62.860 63.100 -0.034 0.000 0.788 613 P CB 0.352 32.045 31.700 -0.012 0.000 0.926 614 H N 0.479 119.343 119.070 -0.343 0.000 2.525 614 H HA 0.251 4.807 4.556 -0.000 0.000 0.340 614 H C -1.324 173.900 175.328 -0.174 0.000 1.168 614 H CA -2.144 53.701 56.048 -0.340 0.000 1.247 614 H CB -0.218 29.323 29.762 -0.369 0.000 1.568 614 H HN 0.259 nan 8.280 nan 0.000 0.536 615 P HA -0.131 nan 4.420 nan 0.000 0.221 615 P C 0.883 178.171 177.300 -0.021 0.000 1.145 615 P CA 1.466 64.547 63.100 -0.032 0.000 0.795 615 P CB 0.047 31.712 31.700 -0.058 0.000 0.775 616 A N -0.058 122.753 122.820 -0.016 0.000 1.930 616 A HA -0.132 4.188 4.320 -0.000 0.000 0.217 616 A C 2.123 179.639 177.584 -0.113 0.000 1.175 616 A CA 1.040 53.027 52.037 -0.083 0.000 0.627 616 A CB -1.601 17.324 19.000 -0.126 0.000 0.815 616 A HN 0.156 nan 8.150 nan 0.000 0.443 617 L N -0.121 121.050 121.223 -0.087 0.000 2.197 617 L HA -0.183 4.157 4.340 -0.000 0.000 0.215 617 L C 2.358 179.242 176.870 0.023 0.000 1.095 617 L CA 2.415 57.236 54.840 -0.032 0.000 0.764 617 L CB -0.579 41.468 42.059 -0.021 0.000 0.897 617 L HN 0.369 nan 8.230 nan 0.000 0.436 618 T N -1.667 112.904 114.554 0.028 0.000 2.985 618 T HA -0.117 4.233 4.350 -0.000 0.000 0.266 618 T C 1.664 176.434 174.700 0.116 0.000 1.076 618 T CA 1.028 63.195 62.100 0.112 0.000 1.135 618 T CB 0.072 68.992 68.868 0.088 0.000 0.890 618 T HN 0.329 nan 8.240 nan 0.000 0.480 619 E N 1.646 121.850 120.200 0.007 0.000 2.051 619 E HA -0.022 4.328 4.350 -0.000 0.000 0.192 619 E C 2.127 178.696 176.600 -0.052 0.000 0.991 619 E CA 1.314 57.713 56.400 -0.002 0.000 0.799 619 E CB -0.424 29.241 29.700 -0.058 0.000 0.748 619 E HN 0.420 nan 8.360 nan 0.000 0.449 620 A N 1.181 123.865 122.820 -0.227 0.000 1.824 620 A HA -0.264 4.056 4.320 -0.000 0.000 0.215 620 A C 2.154 179.585 177.584 -0.255 0.000 1.209 620 A CA 2.338 54.220 52.037 -0.260 0.000 0.614 620 A CB -0.999 17.882 19.000 -0.198 0.000 0.852 620 A HN 0.308 nan 8.150 nan 0.000 0.447 621 K N -1.136 119.147 120.400 -0.195 0.000 2.117 621 K HA -0.334 3.986 4.320 -0.000 0.000 0.215 621 K C 2.085 178.496 176.600 -0.313 0.000 1.053 621 K CA 2.453 58.613 56.287 -0.213 0.000 0.935 621 K CB -0.509 32.016 32.500 0.041 0.000 0.719 621 K HN 0.779 nan 8.250 nan 0.000 0.460 622 H N -0.925 117.919 119.070 -0.377 0.000 2.333 622 H HA -0.050 4.506 4.556 -0.000 0.000 0.302 622 H C 1.965 176.995 175.328 -0.497 0.000 1.075 622 H CA 1.295 56.951 56.048 -0.654 0.000 1.348 622 H CB 0.256 29.609 29.762 -0.681 0.000 1.393 622 H HN 0.300 nan 8.280 nan 0.000 0.509 623 Q N 0.883 120.420 119.800 -0.438 0.000 2.181 623 Q HA -0.121 4.219 4.340 -0.000 0.000 0.205 623 Q C 1.791 177.306 176.000 -0.809 0.000 0.980 623 Q CA 1.296 56.811 55.803 -0.480 0.000 0.862 623 Q CB -0.147 28.524 28.738 -0.112 0.000 0.905 623 Q HN 0.672 nan 8.270 nan 0.000 0.429 624 Q N 0.701 119.959 119.800 -0.905 0.000 2.365 624 Q HA 0.016 4.356 4.340 -0.000 0.000 0.203 624 Q C 0.057 175.461 176.000 -0.994 0.000 0.929 624 Q CA -0.258 54.874 55.803 -1.119 0.000 0.948 624 Q CB 0.180 28.273 28.738 -1.077 0.000 1.043 624 Q HN 0.434 nan 8.270 nan 0.000 0.505 625 Q N -0.745 118.586 119.800 -0.782 0.000 2.395 625 Q HA -0.033 4.307 4.340 -0.000 0.000 0.271 625 Q C -0.298 175.287 176.000 -0.692 0.000 1.026 625 Q CA 0.186 55.601 55.803 -0.646 0.000 0.900 625 Q CB 0.434 28.923 28.738 -0.416 0.000 1.266 625 Q HN 0.109 nan 8.270 nan 0.000 0.430 626 F N 0.351 120.067 119.950 -0.391 0.000 2.743 626 F HA 0.280 4.807 4.527 -0.000 0.000 0.297 626 F C -0.124 175.220 175.800 -0.759 0.000 1.131 626 F CA -0.148 57.424 58.000 -0.714 0.000 1.426 626 F CB 0.303 38.576 39.000 -1.211 0.000 1.116 626 F HN 0.370 nan 8.300 nan 0.000 0.583 627 F N -0.026 119.829 119.950 -0.157 0.000 2.508 627 F HA 0.537 5.064 4.527 -0.000 0.000 0.325 627 F C -0.112 175.370 175.800 -0.531 0.000 1.090 627 F CA -1.073 56.746 58.000 -0.301 0.000 0.945 627 F CB 1.233 40.084 39.000 -0.248 0.000 1.156 627 F HN -0.358 nan 8.300 nan 0.000 0.463 628 Q N 3.005 122.534 119.800 -0.452 0.000 2.340 628 Q HA 0.502 4.842 4.340 -0.000 0.000 0.268 628 Q C -1.381 174.271 176.000 -0.580 0.000 1.031 628 Q CA -0.560 54.998 55.803 -0.408 0.000 0.804 628 Q CB 2.621 31.275 28.738 -0.140 0.000 1.286 628 Q HN 0.506 nan 8.270 nan 0.000 0.448 629 F N 0.462 120.541 119.950 0.216 0.000 2.538 629 F HA 0.660 5.187 4.527 -0.000 0.000 0.325 629 F C 0.572 176.618 175.800 0.410 0.000 1.066 629 F CA -0.835 57.373 58.000 0.347 0.000 0.946 629 F CB 1.982 41.311 39.000 0.548 0.000 1.199 629 F HN 0.158 nan 8.300 nan 0.000 0.473 630 R N 1.361 122.177 120.500 0.527 0.000 2.740 630 R HA 0.760 5.100 4.340 -0.000 0.000 0.273 630 R C -2.153 174.208 176.300 0.101 0.000 0.998 630 R CA -1.206 55.105 56.100 0.351 0.000 0.900 630 R CB 2.938 33.351 30.300 0.190 0.000 1.223 630 R HN 0.708 nan 8.270 nan 0.000 0.466 631 L N 0.662 121.829 121.223 -0.095 0.000 2.439 631 L HA 0.517 4.857 4.340 -0.000 0.000 0.270 631 L C -1.506 175.215 176.870 -0.248 0.000 0.972 631 L CA 0.010 54.606 54.840 -0.408 0.000 0.836 631 L CB 2.265 43.640 42.059 -1.140 0.000 1.255 631 L HN 0.469 nan 8.230 nan 0.000 0.404 632 S N 3.212 118.795 115.700 -0.195 0.000 2.605 632 S HA 0.762 5.232 4.470 -0.000 0.000 0.308 632 S C 0.433 174.948 174.600 -0.141 0.000 1.113 632 S CA 0.279 58.400 58.200 -0.131 0.000 1.049 632 S CB 1.094 64.250 63.200 -0.073 0.000 1.001 632 S HN 1.448 nan 8.310 nan 0.000 0.480 633 G N 4.600 113.322 108.800 -0.130 0.000 2.634 633 G HA2 -0.333 3.627 3.960 -0.000 0.000 0.318 633 G HA3 -0.333 3.627 3.960 -0.000 0.000 0.318 633 G C 0.145 174.947 174.900 -0.162 0.000 1.207 633 G CA 1.013 46.040 45.100 -0.121 0.000 0.987 633 G HN 0.743 nan 8.290 nan 0.000 0.547 634 Q N 1.076 120.784 119.800 -0.154 0.000 2.188 634 Q HA 0.402 4.742 4.340 -0.000 0.000 0.212 634 Q C 0.109 175.988 176.000 -0.202 0.000 0.846 634 Q CA 0.732 56.420 55.803 -0.192 0.000 0.989 634 Q CB 0.640 29.273 28.738 -0.176 0.000 1.114 634 Q HN 0.587 nan 8.270 nan 0.000 0.488 635 T N -0.038 114.408 114.554 -0.179 0.000 2.749 635 T HA 0.559 4.909 4.350 -0.000 0.000 0.287 635 T C 0.069 174.666 174.700 -0.170 0.000 0.970 635 T CA -0.618 61.392 62.100 -0.150 0.000 0.980 635 T CB 1.188 70.000 68.868 -0.093 0.000 0.924 635 T HN 0.111 nan 8.240 nan 0.000 0.456 636 I N 2.732 123.222 120.570 -0.134 0.000 2.365 636 I HA 0.326 4.496 4.170 -0.000 0.000 0.291 636 I C 0.570 176.702 176.117 0.025 0.000 1.004 636 I CA -0.621 60.634 61.300 -0.075 0.000 1.311 636 I CB 1.255 39.250 38.000 -0.008 0.000 1.401 636 I HN 0.718 nan 8.210 nan 0.000 0.491 637 E N 6.743 126.987 120.200 0.073 0.000 2.114 637 E HA 0.429 4.779 4.350 -0.000 0.000 0.266 637 E C -1.632 175.041 176.600 0.122 0.000 0.896 637 E CA -0.584 55.864 56.400 0.081 0.000 0.750 637 E CB 1.567 31.303 29.700 0.059 0.000 1.121 637 E HN 0.418 nan 8.360 nan 0.000 0.413 638 V N 4.318 124.288 119.914 0.092 0.000 2.347 638 V HA 0.284 4.404 4.120 -0.000 0.000 0.280 638 V C 0.145 176.251 176.094 0.020 0.000 1.021 638 V CA -0.646 61.672 62.300 0.029 0.000 0.847 638 V CB 1.450 33.314 31.823 0.068 0.000 0.990 638 V HN 0.688 nan 8.190 nan 0.000 0.444 639 T N 3.661 118.197 114.554 -0.029 0.000 2.795 639 T HA 0.370 4.720 4.350 -0.000 0.000 0.282 639 T C 0.118 174.821 174.700 0.006 0.000 0.980 639 T CA -0.031 62.066 62.100 -0.005 0.000 1.012 639 T CB 1.477 70.329 68.868 -0.026 0.000 0.936 639 T HN 0.743 nan 8.240 nan 0.000 0.457 640 S N 2.110 117.817 115.700 0.012 0.000 2.585 640 S HA 0.295 4.765 4.470 -0.000 0.000 0.277 640 S C 0.570 175.069 174.600 -0.168 0.000 1.241 640 S CA -0.532 57.621 58.200 -0.077 0.000 1.041 640 S CB 0.705 63.905 63.200 0.000 0.000 0.987 640 S HN 0.754 nan 8.310 nan 0.000 0.512 641 E N 2.213 122.220 120.200 -0.322 0.000 2.624 641 E HA 0.135 4.485 4.350 -0.000 0.000 0.210 641 E C -1.077 175.283 176.600 -0.399 0.000 0.997 641 E CA -0.118 56.123 56.400 -0.265 0.000 0.999 641 E CB 0.429 30.026 29.700 -0.172 0.000 1.040 641 E HN 0.623 nan 8.360 nan 0.000 0.469 642 Y N 0.523 120.599 120.300 -0.374 0.000 2.301 642 Y HA 0.108 4.658 4.550 -0.000 0.000 0.325 642 Y C 1.216 176.857 175.900 -0.433 0.000 1.203 642 Y CA 0.065 57.877 58.100 -0.480 0.000 1.255 642 Y CB 0.891 39.087 38.460 -0.440 0.000 1.232 642 Y HN -0.015 nan 8.280 nan 0.000 0.501 643 L N 1.034 122.015 121.223 -0.404 0.000 2.286 643 L HA -0.020 4.320 4.340 -0.000 0.000 0.203 643 L C 0.775 177.116 176.870 -0.882 0.000 1.068 643 L CA 0.900 55.236 54.840 -0.840 0.000 0.811 643 L CB 0.004 41.172 42.059 -1.486 0.000 0.989 643 L HN 0.605 nan 8.230 nan 0.000 0.467 644 F N -0.691 119.235 119.950 -0.040 0.000 2.667 644 F HA 0.187 4.714 4.527 -0.000 0.000 0.288 644 F C 1.546 177.303 175.800 -0.071 0.000 1.086 644 F CA -0.648 57.313 58.000 -0.065 0.000 1.297 644 F CB -0.220 38.723 39.000 -0.094 0.000 1.059 644 F HN -0.075 nan 8.300 nan 0.000 0.624 645 R N 0.117 120.606 120.500 -0.019 0.000 2.531 645 R HA 0.470 4.810 4.340 -0.000 0.000 0.260 645 R C -1.002 175.271 176.300 -0.045 0.000 1.144 645 R CA -0.497 55.546 56.100 -0.095 0.000 1.171 645 R CB 0.414 30.546 30.300 -0.279 0.000 1.199 645 R HN 0.177 nan 8.270 nan 0.000 0.594 646 H N -0.815 118.182 119.070 -0.122 0.000 2.731 646 H HA 0.243 4.799 4.556 -0.000 0.000 0.368 646 H C -0.792 174.523 175.328 -0.021 0.000 1.168 646 H CA -0.645 55.381 56.048 -0.036 0.000 1.181 646 H CB 1.850 31.610 29.762 -0.003 0.000 1.743 646 H HN 0.726 nan 8.280 nan 0.000 0.547 647 S N 2.426 118.004 115.700 -0.203 0.000 3.455 647 S HA -0.005 4.465 4.470 -0.000 0.000 0.288 647 S C 0.085 174.751 174.600 0.110 0.000 1.231 647 S CA -0.220 58.006 58.200 0.043 0.000 1.031 647 S CB -0.477 62.790 63.200 0.113 0.000 1.570 647 S HN 0.710 nan 8.310 nan 0.000 0.519 648 D N 0.978 121.455 120.400 0.129 0.000 2.369 648 D HA 0.036 4.676 4.640 -0.000 0.000 0.211 648 D C 0.294 176.643 176.300 0.083 0.000 1.077 648 D CA -0.193 53.885 54.000 0.130 0.000 0.842 648 D CB -0.192 40.673 40.800 0.109 0.000 0.947 648 D HN 0.510 nan 8.370 nan 0.000 0.509 649 N N 0.271 119.021 118.700 0.083 0.000 2.636 649 N HA 0.120 4.860 4.740 -0.000 0.000 0.287 649 N C -1.578 173.990 175.510 0.097 0.000 1.817 649 N CA -0.115 52.978 53.050 0.072 0.000 0.842 649 N CB 0.368 38.886 38.487 0.052 0.000 1.353 649 N HN -0.122 nan 8.380 nan 0.000 0.500 650 E N 0.231 120.483 120.200 0.087 0.000 2.260 650 E HA 0.440 4.790 4.350 -0.000 0.000 0.266 650 E C -1.679 174.939 176.600 0.031 0.000 0.887 650 E CA -0.560 55.877 56.400 0.061 0.000 0.777 650 E CB 1.732 31.461 29.700 0.049 0.000 1.205 650 E HN 0.094 nan 8.360 nan 0.000 0.414 651 L N 3.863 125.096 121.223 0.017 0.000 2.376 651 L HA 0.487 4.827 4.340 -0.000 0.000 0.275 651 L C -1.638 175.251 176.870 0.033 0.000 0.987 651 L CA -1.027 53.840 54.840 0.046 0.000 0.828 651 L CB 1.521 43.620 42.059 0.066 0.000 1.249 651 L HN 0.523 nan 8.230 nan 0.000 0.409 652 L N 5.744 127.045 121.223 0.129 0.000 2.278 652 L HA 0.377 4.717 4.340 -0.000 0.000 0.287 652 L C -0.358 176.744 176.870 0.386 0.000 1.072 652 L CA 0.257 55.212 54.840 0.191 0.000 0.819 652 L CB 0.180 42.362 42.059 0.206 0.000 1.176 652 L HN 0.563 nan 8.230 nan 0.000 0.435 653 H N 5.786 124.910 119.070 0.090 0.000 2.473 653 H HA 0.395 4.951 4.556 -0.000 0.000 0.327 653 H C -0.983 174.434 175.328 0.149 0.000 1.105 653 H CA -0.712 55.358 56.048 0.037 0.000 1.280 653 H CB 1.048 30.797 29.762 -0.022 0.000 1.450 653 H HN 0.743 nan 8.280 nan 0.000 0.492 654 W N 4.299 125.682 121.300 0.138 0.000 2.936 654 W HA 0.597 5.257 4.660 -0.000 0.000 0.338 654 W C -2.112 174.449 176.519 0.070 0.000 1.121 654 W CA -1.083 56.325 57.345 0.105 0.000 1.209 654 W CB 1.892 31.407 29.460 0.091 0.000 1.420 654 W HN 0.381 nan 8.180 nan 0.000 0.516 655 M N 3.563 123.487 119.600 0.539 0.000 2.421 655 M HA 0.450 4.930 4.480 -0.000 0.000 0.287 655 M C -2.247 174.317 176.300 0.439 0.000 1.183 655 M CA -0.545 54.963 55.300 0.347 0.000 0.916 655 M CB 2.585 35.230 32.600 0.075 0.000 1.701 655 M HN 0.320 nan 8.290 nan 0.000 0.470 656 V N 3.384 123.533 119.914 0.391 0.000 2.350 656 V HA 0.815 4.935 4.120 -0.000 0.000 0.285 656 V C -0.262 175.952 176.094 0.201 0.000 1.014 656 V CA -0.556 61.925 62.300 0.302 0.000 0.831 656 V CB 1.049 33.044 31.823 0.288 0.000 1.000 656 V HN 0.877 nan 8.190 nan 0.000 0.433 657 A N 5.197 128.142 122.820 0.208 0.000 2.386 657 A HA 0.869 5.189 4.320 -0.000 0.000 0.311 657 A C -1.250 176.462 177.584 0.212 0.000 1.068 657 A CA -0.636 51.495 52.037 0.157 0.000 0.743 657 A CB 1.634 20.677 19.000 0.071 0.000 1.258 657 A HN 0.706 nan 8.150 nan 0.000 0.429 658 L N 1.970 123.284 121.223 0.152 0.000 2.257 658 L HA 0.445 4.785 4.340 -0.000 0.000 0.290 658 L C -0.335 176.631 176.870 0.159 0.000 1.044 658 L CA 0.090 55.028 54.840 0.164 0.000 0.810 658 L CB 0.027 42.150 42.059 0.107 0.000 1.193 658 L HN 0.810 nan 8.230 nan 0.000 0.425 659 D N 4.984 125.535 120.400 0.251 0.000 2.706 659 D HA -0.212 4.428 4.640 -0.000 0.000 0.230 659 D C 1.226 177.563 176.300 0.061 0.000 1.184 659 D CA 1.453 55.593 54.000 0.234 0.000 0.628 659 D CB -0.959 39.951 40.800 0.183 0.000 1.019 659 D HN 1.168 nan 8.370 nan 0.000 0.415 660 G N -0.998 107.811 108.800 0.014 0.000 2.176 660 G HA2 -0.372 3.588 3.960 -0.000 0.000 0.253 660 G HA3 -0.372 3.588 3.960 -0.000 0.000 0.253 660 G C 0.175 175.006 174.900 -0.114 0.000 0.979 660 G CA 0.520 45.520 45.100 -0.167 0.000 0.641 660 G HN 0.456 nan 8.290 nan 0.000 0.530 661 K N 1.580 121.964 120.400 -0.027 0.000 2.263 661 K HA 0.559 4.879 4.320 -0.000 0.000 0.272 661 K C -2.602 174.000 176.600 0.004 0.000 1.033 661 K CA -2.181 54.092 56.287 -0.024 0.000 0.884 661 K CB 1.758 34.256 32.500 -0.005 0.000 1.107 661 K HN -0.013 nan 8.250 nan 0.000 0.460 662 P HA -0.033 nan 4.420 nan 0.000 0.261 662 P C -0.011 177.303 177.300 0.023 0.000 1.203 662 P CA 0.269 63.367 63.100 -0.004 0.000 0.767 662 P CB 0.512 32.186 31.700 -0.043 0.000 0.785 663 L N 2.390 123.653 121.223 0.065 0.000 2.296 663 L HA 0.344 4.684 4.340 -0.000 0.000 0.193 663 L C 1.077 178.001 176.870 0.090 0.000 1.123 663 L CA 0.844 55.731 54.840 0.077 0.000 0.805 663 L CB -0.615 41.502 42.059 0.098 0.000 1.004 663 L HN 0.299 nan 8.230 nan 0.000 0.478 664 A N -0.713 122.207 122.820 0.168 0.000 2.454 664 A HA 0.709 5.029 4.320 -0.000 0.000 0.302 664 A C -0.813 176.843 177.584 0.120 0.000 1.079 664 A CA -0.281 51.886 52.037 0.217 0.000 0.731 664 A CB 1.888 21.118 19.000 0.384 0.000 1.299 664 A HN 0.173 nan 8.150 nan 0.000 0.413 665 S N -0.991 114.439 115.700 -0.451 0.000 2.667 665 S HA 0.963 5.433 4.470 -0.000 0.000 0.292 665 S C -0.203 173.119 174.600 -2.130 0.000 1.126 665 S CA -0.217 57.200 58.200 -1.305 0.000 0.881 665 S CB 2.143 64.950 63.200 -0.654 0.000 1.132 665 S HN 1.932 nan 8.310 nan 0.000 0.492 666 G N 0.366 107.631 108.800 -2.557 0.000 2.655 666 G HA2 0.533 4.493 3.960 -0.000 0.000 0.296 666 G HA3 0.533 4.493 3.960 -0.000 0.000 0.296 666 G C -2.152 172.204 174.900 -0.906 0.000 1.485 666 G CA -0.669 43.499 45.100 -1.553 0.000 0.869 666 G HN 0.527 nan 8.290 nan 0.000 0.540 667 E N -0.396 119.614 120.200 -0.317 0.000 2.179 667 E HA 0.652 5.002 4.350 -0.000 0.000 0.275 667 E C -1.002 175.672 176.600 0.123 0.000 0.945 667 E CA -0.778 55.565 56.400 -0.095 0.000 0.792 667 E CB 2.836 32.446 29.700 -0.150 0.000 1.125 667 E HN 0.250 nan 8.360 nan 0.000 0.397 668 V N 5.134 125.167 119.914 0.198 0.000 2.610 668 V HA 0.274 4.394 4.120 -0.000 0.000 0.298 668 V C -2.430 173.754 176.094 0.149 0.000 1.067 668 V CA -1.773 60.635 62.300 0.181 0.000 0.894 668 V CB 2.040 33.997 31.823 0.224 0.000 1.015 668 V HN 0.601 nan 8.190 nan 0.000 0.432 669 P HA 0.174 nan 4.420 nan 0.000 0.271 669 P C -0.516 176.831 177.300 0.079 0.000 1.216 669 P CA -0.066 63.090 63.100 0.093 0.000 0.771 669 P CB 0.970 32.720 31.700 0.083 0.000 0.864 670 L N 3.167 124.422 121.223 0.053 0.000 2.319 670 L HA 0.193 4.533 4.340 -0.000 0.000 0.280 670 L C 0.424 177.314 176.870 0.033 0.000 1.099 670 L CA 0.442 55.293 54.840 0.019 0.000 0.828 670 L CB 0.411 42.428 42.059 -0.071 0.000 1.150 670 L HN 0.407 nan 8.230 nan 0.000 0.442 671 D N 3.115 123.531 120.400 0.027 0.000 2.443 671 D HA 0.327 4.967 4.640 -0.000 0.000 0.281 671 D C -1.036 175.211 176.300 -0.089 0.000 1.210 671 D CA -0.193 53.823 54.000 0.026 0.000 0.875 671 D CB 0.820 41.700 40.800 0.133 0.000 1.125 671 D HN 0.107 nan 8.370 nan 0.000 0.503 672 V N 0.274 120.024 119.914 -0.273 0.000 2.555 672 V HA 0.914 5.034 4.120 -0.000 0.000 0.302 672 V C 0.427 176.225 176.094 -0.493 0.000 1.038 672 V CA -1.382 60.802 62.300 -0.194 0.000 0.887 672 V CB 1.539 33.400 31.823 0.063 0.000 0.991 672 V HN 0.404 nan 8.190 nan 0.000 0.434 673 A N 5.211 127.948 122.820 -0.138 0.000 2.309 673 A HA 0.808 5.128 4.320 -0.000 0.000 0.298 673 A C -2.386 175.222 177.584 0.040 0.000 1.165 673 A CA -1.938 50.146 52.037 0.079 0.000 0.821 673 A CB 0.151 19.289 19.000 0.230 0.000 1.102 673 A HN 0.762 nan 8.150 nan 0.000 0.500 674 P HA -0.118 nan 4.420 nan 0.000 0.255 674 P C -0.217 177.071 177.300 -0.020 0.000 1.141 674 P CA 1.082 64.183 63.100 0.002 0.000 0.767 674 P CB -0.064 31.626 31.700 -0.017 0.000 0.726 675 Q N -0.801 118.972 119.800 -0.045 0.000 2.424 675 Q HA -0.168 4.172 4.340 -0.000 0.000 0.234 675 Q C 0.759 176.750 176.000 -0.015 0.000 0.748 675 Q CA 1.214 56.989 55.803 -0.048 0.000 1.286 675 Q CB -1.967 26.735 28.738 -0.060 0.000 1.494 675 Q HN 0.752 nan 8.270 nan 0.000 0.683 676 G N 0.004 108.807 108.800 0.006 0.000 2.795 676 G HA2 0.654 4.614 3.960 -0.000 0.000 0.267 676 G HA3 0.654 4.614 3.960 -0.000 0.000 0.267 676 G C -0.473 174.444 174.900 0.028 0.000 1.362 676 G CA -0.593 44.520 45.100 0.022 0.000 1.048 676 G HN -0.033 nan 8.290 nan 0.000 0.547 677 K N -1.038 119.383 120.400 0.035 0.000 2.316 677 K HA 0.605 4.925 4.320 -0.000 0.000 0.234 677 K C -0.995 175.634 176.600 0.047 0.000 1.054 677 K CA -0.639 55.671 56.287 0.039 0.000 0.879 677 K CB 2.093 34.612 32.500 0.033 0.000 1.252 677 K HN 0.468 nan 8.250 nan 0.000 0.471 678 Q N 1.462 121.293 119.800 0.051 0.000 2.281 678 Q HA 0.279 4.619 4.340 -0.000 0.000 0.263 678 Q C -1.841 174.192 176.000 0.054 0.000 0.989 678 Q CA -0.423 55.413 55.803 0.054 0.000 0.852 678 Q CB 1.342 30.115 28.738 0.059 0.000 1.337 678 Q HN 0.481 nan 8.270 nan 0.000 0.418 679 L N 5.671 126.920 121.223 0.043 0.000 2.272 679 L HA 0.451 4.791 4.340 -0.000 0.000 0.284 679 L C -0.395 176.490 176.870 0.026 0.000 1.045 679 L CA -0.589 54.268 54.840 0.029 0.000 0.842 679 L CB 0.766 42.835 42.059 0.017 0.000 1.224 679 L HN 0.603 nan 8.230 nan 0.000 0.430 680 I N 3.358 123.943 120.570 0.025 0.000 2.297 680 I HA 0.208 4.378 4.170 -0.000 0.000 0.291 680 I C 0.409 176.500 176.117 -0.042 0.000 1.033 680 I CA -0.176 61.133 61.300 0.014 0.000 1.253 680 I CB 1.341 39.369 38.000 0.047 0.000 1.396 680 I HN 0.608 nan 8.210 nan 0.000 0.476 681 E N 6.298 126.471 120.200 -0.044 0.000 2.167 681 E HA 0.383 4.732 4.350 -0.000 0.000 0.284 681 E C -0.788 175.736 176.600 -0.127 0.000 1.016 681 E CA -0.541 55.811 56.400 -0.080 0.000 0.817 681 E CB 1.366 31.034 29.700 -0.055 0.000 1.080 681 E HN 0.465 nan 8.360 nan 0.000 0.397 682 L N 6.805 127.906 121.223 -0.204 0.000 2.290 682 L HA 0.326 4.666 4.340 -0.000 0.000 0.284 682 L C -1.764 174.971 176.870 -0.225 0.000 1.078 682 L CA -2.024 52.624 54.840 -0.321 0.000 0.815 682 L CB 0.600 42.407 42.059 -0.420 0.000 1.162 682 L HN 0.425 nan 8.230 nan 0.000 0.435 683 P HA -0.079 nan 4.420 nan 0.000 0.271 683 P C -0.307 176.924 177.300 -0.116 0.000 1.233 683 P CA -0.237 62.805 63.100 -0.097 0.000 0.795 683 P CB 0.537 32.221 31.700 -0.027 0.000 0.936 684 E N 0.412 120.574 120.200 -0.065 0.000 2.452 684 E HA 0.054 4.404 4.350 -0.000 0.000 0.261 684 E C -0.415 176.151 176.600 -0.057 0.000 0.987 684 E CA 0.071 56.435 56.400 -0.060 0.000 0.926 684 E CB 0.180 29.859 29.700 -0.036 0.000 0.934 684 E HN 0.310 nan 8.360 nan 0.000 0.452 685 L N 5.749 126.932 121.223 -0.066 0.000 2.360 685 L HA 0.370 4.710 4.340 -0.000 0.000 0.271 685 L C -1.963 174.898 176.870 -0.014 0.000 1.057 685 L CA -2.279 52.532 54.840 -0.049 0.000 0.803 685 L CB 1.162 43.174 42.059 -0.078 0.000 1.207 685 L HN 0.444 nan 8.230 nan 0.000 0.445 686 P HA -0.045 nan 4.420 nan 0.000 0.266 686 P C -0.944 176.363 177.300 0.012 0.000 1.193 686 P CA 0.074 63.188 63.100 0.024 0.000 0.770 686 P CB 0.326 32.054 31.700 0.047 0.000 0.836 687 Q N 0.543 120.349 119.800 0.011 0.000 2.158 687 Q HA 0.239 4.579 4.340 -0.000 0.000 0.306 687 Q C -2.019 173.988 176.000 0.012 0.000 0.878 687 Q CA -1.352 54.454 55.803 0.006 0.000 1.136 687 Q CB -0.410 28.328 28.738 -0.002 0.000 1.253 687 Q HN 0.449 nan 8.270 nan 0.000 0.441 688 P HA -0.136 nan 4.420 nan 0.000 0.261 688 P C 0.387 177.700 177.300 0.021 0.000 1.158 688 P CA 0.738 63.853 63.100 0.025 0.000 0.758 688 P CB 0.688 32.409 31.700 0.035 0.000 0.763 689 E N 0.259 120.471 120.200 0.020 0.000 2.318 689 E HA 0.014 4.364 4.350 -0.000 0.000 0.193 689 E C 0.239 176.854 176.600 0.024 0.000 0.998 689 E CA -0.031 56.380 56.400 0.019 0.000 0.859 689 E CB -0.119 29.590 29.700 0.015 0.000 0.812 689 E HN 0.432 nan 8.360 nan 0.000 0.492 690 S N 1.779 117.496 115.700 0.028 0.000 2.553 690 S HA 0.151 4.621 4.470 -0.000 0.000 0.293 690 S C 0.362 174.986 174.600 0.039 0.000 1.296 690 S CA -0.082 58.139 58.200 0.034 0.000 1.046 690 S CB 0.609 63.831 63.200 0.038 0.000 0.810 690 S HN 0.357 nan 8.310 nan 0.000 0.505 691 A N 1.715 124.561 122.820 0.044 0.000 2.332 691 A HA 0.788 5.108 4.320 -0.000 0.000 0.258 691 A C 0.915 178.538 177.584 0.065 0.000 1.087 691 A CA 0.232 52.298 52.037 0.049 0.000 0.802 691 A CB -0.121 18.908 19.000 0.049 0.000 1.042 691 A HN 1.854 nan 8.150 nan 0.000 0.489 692 G N -0.546 108.296 108.800 0.071 0.000 2.359 692 G HA2 0.301 4.261 3.960 -0.000 0.000 0.303 692 G HA3 0.301 4.261 3.960 -0.000 0.000 0.303 692 G C -1.233 173.722 174.900 0.091 0.000 1.293 692 G CA -0.803 44.357 45.100 0.101 0.000 0.964 692 G HN 0.864 nan 8.290 nan 0.000 0.531 693 Q N -0.742 119.146 119.800 0.147 0.000 2.271 693 Q HA 0.611 4.951 4.340 -0.000 0.000 0.258 693 Q C -0.838 175.271 176.000 0.182 0.000 0.936 693 Q CA -0.807 55.061 55.803 0.108 0.000 0.909 693 Q CB 2.228 31.086 28.738 0.201 0.000 1.253 693 Q HN 0.463 nan 8.270 nan 0.000 0.440 694 L N 3.966 125.190 121.223 0.002 0.000 2.264 694 L HA 0.421 4.761 4.340 -0.000 0.000 0.287 694 L C -1.787 175.057 176.870 -0.044 0.000 1.039 694 L CA -0.072 54.801 54.840 0.054 0.000 0.829 694 L CB 0.271 42.338 42.059 0.012 0.000 1.211 694 L HN 0.572 nan 8.230 nan 0.000 0.427 695 W N 5.515 126.878 121.300 0.104 0.000 2.573 695 W HA 0.570 5.230 4.660 -0.000 0.000 0.326 695 W C -0.683 175.942 176.519 0.177 0.000 1.049 695 W CA -0.662 56.768 57.345 0.142 0.000 1.220 695 W CB 1.662 31.231 29.460 0.181 0.000 1.373 695 W HN 0.288 nan 8.180 nan 0.000 0.507 696 L N 3.356 124.852 121.223 0.456 0.000 2.307 696 L HA 0.758 5.098 4.340 -0.000 0.000 0.284 696 L C -0.327 176.858 176.870 0.525 0.000 1.023 696 L CA 0.055 55.156 54.840 0.436 0.000 0.810 696 L CB 1.460 43.721 42.059 0.336 0.000 1.231 696 L HN 0.316 nan 8.230 nan 0.000 0.423 697 T N 4.372 119.182 114.554 0.427 0.000 2.893 697 T HA 0.752 5.102 4.350 -0.000 0.000 0.291 697 T C -1.066 173.826 174.700 0.319 0.000 1.028 697 T CA -0.390 61.906 62.100 0.326 0.000 0.995 697 T CB 1.834 70.836 68.868 0.223 0.000 1.051 697 T HN 0.633 nan 8.240 nan 0.000 0.470 698 V N 0.859 120.889 119.914 0.194 0.000 2.789 698 V HA 0.846 4.966 4.120 -0.000 0.000 0.311 698 V C -0.943 175.196 176.094 0.076 0.000 1.073 698 V CA -1.152 61.227 62.300 0.132 0.000 0.921 698 V CB 1.942 33.755 31.823 -0.016 0.000 1.009 698 V HN 0.808 nan 8.190 nan 0.000 0.426 699 R N 2.208 122.782 120.500 0.124 0.000 2.686 699 R HA 0.810 5.150 4.340 -0.000 0.000 0.283 699 R C -1.590 174.754 176.300 0.073 0.000 0.978 699 R CA -0.725 55.450 56.100 0.125 0.000 0.897 699 R CB 2.714 33.068 30.300 0.091 0.000 1.192 699 R HN 0.676 nan 8.270 nan 0.000 0.457 700 V N 4.004 123.984 119.914 0.110 0.000 2.398 700 V HA 0.443 4.563 4.120 -0.000 0.000 0.286 700 V C -0.335 175.771 176.094 0.021 0.000 1.026 700 V CA -0.531 61.804 62.300 0.059 0.000 0.868 700 V CB 1.708 33.586 31.823 0.093 0.000 0.982 700 V HN 0.468 nan 8.190 nan 0.000 0.443 701 V N 4.132 123.996 119.914 -0.083 0.000 2.864 701 V HA 0.525 4.645 4.120 -0.000 0.000 0.314 701 V C -0.575 175.531 176.094 0.019 0.000 1.073 701 V CA -0.991 61.269 62.300 -0.067 0.000 0.956 701 V CB 2.021 33.704 31.823 -0.233 0.000 1.023 701 V HN 0.821 nan 8.190 nan 0.000 0.435 702 Q N 2.685 122.530 119.800 0.075 0.000 2.431 702 Q HA 0.327 4.667 4.340 -0.000 0.000 0.249 702 Q C -1.949 174.072 176.000 0.036 0.000 1.025 702 Q CA -1.749 54.101 55.803 0.079 0.000 0.835 702 Q CB 2.010 30.812 28.738 0.106 0.000 1.207 702 Q HN 0.484 nan 8.270 nan 0.000 0.490 703 P HA -0.204 nan 4.420 nan 0.000 0.216 703 P C -0.801 176.505 177.300 0.010 0.000 1.150 703 P CA 1.363 64.478 63.100 0.024 0.000 0.843 703 P CB 0.350 32.071 31.700 0.035 0.000 0.787 704 N N -1.275 117.422 118.700 -0.004 0.000 2.319 704 N HA 0.513 5.253 4.740 -0.000 0.000 0.305 704 N C -0.784 174.683 175.510 -0.072 0.000 1.103 704 N CA -0.873 52.160 53.050 -0.028 0.000 0.815 704 N CB 1.003 39.477 38.487 -0.022 0.000 1.288 704 N HN -0.098 nan 8.380 nan 0.000 0.493 705 A N 0.334 123.102 122.820 -0.087 0.000 2.425 705 A HA 0.486 4.806 4.320 -0.000 0.000 0.242 705 A C 0.747 178.200 177.584 -0.217 0.000 1.077 705 A CA 0.035 51.981 52.037 -0.153 0.000 0.781 705 A CB -0.144 18.793 19.000 -0.106 0.000 1.020 705 A HN 0.788 nan 8.150 nan 0.000 0.494 706 T N -2.422 111.899 114.554 -0.389 0.000 2.735 706 T HA 0.619 4.969 4.350 -0.000 0.000 0.262 706 T C 1.107 175.607 174.700 -0.334 0.000 0.955 706 T CA 0.223 62.062 62.100 -0.436 0.000 1.022 706 T CB 0.812 69.186 68.868 -0.825 0.000 1.455 706 T HN 1.271 nan 8.240 nan 0.000 0.583 707 A N -0.423 122.260 122.820 -0.229 0.000 2.067 707 A HA 0.191 4.511 4.320 -0.000 0.000 0.217 707 A C 1.733 179.380 177.584 0.105 0.000 1.156 707 A CA 0.843 52.907 52.037 0.045 0.000 0.683 707 A CB -0.766 18.385 19.000 0.251 0.000 0.808 707 A HN 0.899 nan 8.150 nan 0.000 0.455 708 W N -1.118 120.213 121.300 0.051 0.000 2.534 708 W HA 0.408 5.068 4.660 -0.000 0.000 0.339 708 W C 0.033 176.508 176.519 -0.072 0.000 0.961 708 W CA 0.522 57.851 57.345 -0.026 0.000 1.545 708 W CB -0.867 28.562 29.460 -0.052 0.000 1.104 708 W HN 0.367 nan 8.180 nan 0.000 0.538 709 S N 0.544 115.688 115.700 -0.927 0.000 2.542 709 S HA 0.493 4.963 4.470 -0.000 0.000 0.293 709 S C -0.814 173.537 174.600 -0.415 0.000 1.089 709 S CA -0.343 57.382 58.200 -0.791 0.000 0.961 709 S CB 3.029 65.281 63.200 -1.579 0.000 1.062 709 S HN 0.136 nan 8.310 nan 0.000 0.483 710 E N 0.957 121.051 120.200 -0.177 0.000 2.312 710 E HA 0.623 4.973 4.350 -0.000 0.000 0.259 710 E C 0.271 176.846 176.600 -0.043 0.000 1.122 710 E CA -0.813 55.545 56.400 -0.070 0.000 0.922 710 E CB 1.260 30.965 29.700 0.008 0.000 1.109 710 E HN 0.915 nan 8.360 nan 0.000 0.442 711 A N 0.387 123.194 122.820 -0.022 0.000 2.483 711 A HA 0.380 4.700 4.320 -0.000 0.000 0.238 711 A C 0.790 178.391 177.584 0.029 0.000 1.070 711 A CA 0.585 52.619 52.037 -0.006 0.000 0.770 711 A CB -0.438 18.560 19.000 -0.004 0.000 1.008 711 A HN 0.787 nan 8.150 nan 0.000 0.497 712 G N 0.854 109.673 108.800 0.032 0.000 2.371 712 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.299 712 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.299 712 G C -0.031 174.907 174.900 0.064 0.000 1.014 712 G CA 0.906 46.025 45.100 0.032 0.000 1.097 712 G HN 1.682 nan 8.290 nan 0.000 0.512 713 H N 0.238 119.311 119.070 0.005 0.000 2.548 713 H HA 0.565 5.121 4.556 -0.000 0.000 0.331 713 H C 0.810 176.194 175.328 0.094 0.000 1.093 713 H CA -1.084 54.993 56.048 0.049 0.000 1.367 713 H CB 0.526 30.315 29.762 0.046 0.000 1.455 713 H HN 0.195 nan 8.280 nan 0.000 0.519 714 I N 4.916 125.195 120.570 -0.485 0.000 2.371 714 I HA 0.001 4.171 4.170 -0.000 0.000 0.290 714 I C 0.870 176.889 176.117 -0.163 0.000 1.028 714 I CA 0.217 61.401 61.300 -0.195 0.000 1.345 714 I CB 1.403 39.366 38.000 -0.061 0.000 1.407 714 I HN 0.823 nan 8.210 nan 0.000 0.501 715 S N 4.397 120.216 115.700 0.199 0.000 2.564 715 S HA 0.430 4.900 4.470 -0.000 0.000 0.231 715 S C 0.528 175.308 174.600 0.300 0.000 1.067 715 S CA -0.013 58.402 58.200 0.358 0.000 0.908 715 S CB 0.780 64.288 63.200 0.513 0.000 0.809 715 S HN 0.691 nan 8.310 nan 0.000 0.491 716 A N 0.613 123.632 122.820 0.332 0.000 2.556 716 A HA 0.758 5.078 4.320 -0.000 0.000 0.294 716 A C -1.830 175.973 177.584 0.364 0.000 1.091 716 A CA -0.788 51.412 52.037 0.272 0.000 0.704 716 A CB 0.967 20.232 19.000 0.441 0.000 1.300 716 A HN 1.011 nan 8.150 nan 0.000 0.406 717 W N 0.218 121.659 121.300 0.236 0.000 3.419 717 W HA 0.727 5.387 4.660 -0.000 0.000 0.298 717 W C -1.435 175.077 176.519 -0.013 0.000 1.260 717 W CA -0.451 56.910 57.345 0.027 0.000 1.199 717 W CB 0.830 30.285 29.460 -0.009 0.000 1.349 717 W HN 0.996 nan 8.180 nan 0.000 0.557 718 Q N 1.849 121.650 119.800 0.002 0.000 2.575 718 Q HA 0.564 4.904 4.340 -0.000 0.000 0.290 718 Q C -1.690 174.083 176.000 -0.378 0.000 0.963 718 Q CA -0.610 55.055 55.803 -0.230 0.000 0.783 718 Q CB 2.374 30.802 28.738 -0.516 0.000 1.467 718 Q HN 0.714 nan 8.270 nan 0.000 0.402 719 Q N 1.509 120.957 119.800 -0.586 0.000 2.386 719 Q HA 0.532 4.872 4.340 -0.000 0.000 0.274 719 Q C -1.537 174.262 176.000 -0.336 0.000 1.011 719 Q CA -0.665 54.974 55.803 -0.274 0.000 0.867 719 Q CB 1.515 30.357 28.738 0.173 0.000 1.409 719 Q HN 0.657 nan 8.270 nan 0.000 0.395 720 W N 1.936 123.393 121.300 0.263 0.000 2.864 720 W HA 0.520 5.180 4.660 -0.000 0.000 0.343 720 W C -0.315 176.169 176.519 -0.058 0.000 1.109 720 W CA -0.936 56.482 57.345 0.122 0.000 1.192 720 W CB 2.122 31.608 29.460 0.044 0.000 1.426 720 W HN 0.628 nan 8.180 nan 0.000 0.529 721 R N 2.468 122.810 120.500 -0.262 0.000 2.230 721 R HA 0.263 4.603 4.340 -0.000 0.000 0.337 721 R C 0.926 176.964 176.300 -0.437 0.000 1.063 721 R CA -0.150 55.383 56.100 -0.946 0.000 0.935 721 R CB 0.246 29.670 30.300 -1.460 0.000 1.121 721 R HN 0.541 nan 8.270 nan 0.000 0.486 722 L N 2.214 123.270 121.223 -0.279 0.000 1.886 722 L HA -0.001 4.339 4.340 -0.000 0.000 0.226 722 L C 1.028 177.799 176.870 -0.165 0.000 1.091 722 L CA 1.313 56.062 54.840 -0.151 0.000 0.799 722 L CB -0.381 41.633 42.059 -0.074 0.000 0.889 722 L HN 0.576 nan 8.230 nan 0.000 0.429 723 A N -0.921 121.815 122.820 -0.140 0.000 2.346 723 A HA 0.570 4.890 4.320 -0.000 0.000 0.313 723 A C -0.870 176.646 177.584 -0.115 0.000 1.140 723 A CA -0.386 51.585 52.037 -0.110 0.000 0.826 723 A CB 1.571 20.533 19.000 -0.063 0.000 1.332 723 A HN 0.351 nan 8.150 nan 0.000 0.457 724 E N -0.115 120.037 120.200 -0.080 0.000 2.227 724 E HA 0.475 4.825 4.350 -0.000 0.000 0.268 724 E C -1.484 175.105 176.600 -0.019 0.000 0.907 724 E CA -0.646 55.722 56.400 -0.054 0.000 0.786 724 E CB 1.127 30.793 29.700 -0.056 0.000 1.191 724 E HN 0.526 nan 8.360 nan 0.000 0.411 725 N N 3.639 122.340 118.700 0.003 0.000 2.690 725 N HA 0.243 4.983 4.740 -0.000 0.000 0.255 725 N C -1.109 174.416 175.510 0.026 0.000 1.195 725 N CA -0.324 52.734 53.050 0.014 0.000 0.790 725 N CB 0.763 39.263 38.487 0.021 0.000 1.216 725 N HN 0.487 nan 8.380 nan 0.000 0.528 726 L N 1.249 122.485 121.223 0.022 0.000 2.540 726 L HA 0.047 4.387 4.340 -0.000 0.000 0.276 726 L C 1.138 178.028 176.870 0.033 0.000 1.212 726 L CA 0.275 55.133 54.840 0.030 0.000 0.893 726 L CB 0.281 42.355 42.059 0.025 0.000 1.138 726 L HN 0.406 nan 8.230 nan 0.000 0.491 727 S N 2.983 118.708 115.700 0.041 0.000 2.489 727 S HA 0.309 4.779 4.470 -0.000 0.000 0.277 727 S C 0.591 175.213 174.600 0.036 0.000 1.230 727 S CA -0.872 57.352 58.200 0.040 0.000 1.053 727 S CB 1.537 64.766 63.200 0.048 0.000 0.955 727 S HN 0.432 nan 8.310 nan 0.000 0.488 728 V N 1.466 121.398 119.914 0.030 0.000 3.643 728 V HA 0.204 4.324 4.120 -0.000 0.000 0.280 728 V C 1.364 177.474 176.094 0.027 0.000 1.351 728 V CA 0.214 62.530 62.300 0.027 0.000 1.073 728 V CB -1.656 30.180 31.823 0.022 0.000 0.863 728 V HN 1.007 nan 8.190 nan 0.000 0.436 729 T N 1.590 116.162 114.554 0.028 0.000 2.785 729 T HA 0.276 4.626 4.350 -0.000 0.000 0.341 729 T C -0.362 174.354 174.700 0.027 0.000 1.093 729 T CA 0.305 62.421 62.100 0.027 0.000 1.103 729 T CB 0.318 69.203 68.868 0.028 0.000 1.011 729 T HN 0.260 nan 8.240 nan 0.000 0.549 730 L N 2.089 123.327 121.223 0.024 0.000 2.346 730 L HA 0.592 4.932 4.340 -0.000 0.000 0.274 730 L C -1.875 175.008 176.870 0.022 0.000 1.007 730 L CA -2.126 52.727 54.840 0.021 0.000 0.818 730 L CB 0.374 42.442 42.059 0.015 0.000 1.284 730 L HN 0.620 nan 8.230 nan 0.000 0.424 731 P HA 0.293 nan 4.420 nan 0.000 0.271 731 P C -0.512 176.797 177.300 0.016 0.000 1.216 731 P CA -0.456 62.658 63.100 0.023 0.000 0.776 731 P CB 0.787 32.500 31.700 0.022 0.000 0.881 732 A N 2.866 125.699 122.820 0.022 0.000 2.565 732 A HA 0.365 4.685 4.320 -0.000 0.000 0.237 732 A C 0.841 178.420 177.584 -0.008 0.000 1.053 732 A CA 0.148 52.196 52.037 0.019 0.000 0.755 732 A CB -0.516 18.509 19.000 0.043 0.000 0.980 732 A HN 0.772 nan 8.150 nan 0.000 0.506 733 A N 3.263 126.060 122.820 -0.038 0.000 2.520 733 A HA 0.462 4.782 4.320 -0.000 0.000 0.245 733 A C 0.900 178.355 177.584 -0.215 0.000 1.072 733 A CA 0.478 52.449 52.037 -0.110 0.000 0.761 733 A CB -0.080 18.845 19.000 -0.126 0.000 1.004 733 A HN 0.992 nan 8.150 nan 0.000 0.499 734 S N -0.172 115.406 115.700 -0.203 0.000 2.693 734 S HA 0.435 4.905 4.470 -0.000 0.000 0.276 734 S C 0.434 174.750 174.600 -0.474 0.000 1.192 734 S CA -0.388 57.679 58.200 -0.222 0.000 0.994 734 S CB 0.313 63.494 63.200 -0.032 0.000 1.012 734 S HN 0.778 nan 8.310 nan 0.000 0.550 735 H N -0.069 119.010 119.070 0.016 0.000 2.755 735 H HA 0.658 5.214 4.556 -0.000 0.000 0.273 735 H C 0.017 175.353 175.328 0.013 0.000 1.055 735 H CA 0.510 56.565 56.048 0.012 0.000 1.191 735 H CB 0.696 30.464 29.762 0.011 0.000 1.536 735 H HN 0.542 nan 8.280 nan 0.000 0.529 736 A N 0.802 123.672 122.820 0.084 0.000 2.566 736 A HA 0.556 4.876 4.320 -0.000 0.000 0.290 736 A C -1.323 176.291 177.584 0.051 0.000 1.071 736 A CA -0.780 51.296 52.037 0.064 0.000 0.658 736 A CB 0.791 19.838 19.000 0.078 0.000 1.285 736 A HN 0.220 nan 8.150 nan 0.000 0.427 737 I N -1.622 118.979 120.570 0.052 0.000 3.206 737 I HA 0.881 5.051 4.170 -0.000 0.000 0.313 737 I C -2.817 173.354 176.117 0.090 0.000 1.103 737 I CA -2.828 58.506 61.300 0.057 0.000 0.985 737 I CB 2.105 40.129 38.000 0.039 0.000 1.240 737 I HN 0.384 nan 8.210 nan 0.000 0.464 738 P HA 0.211 nan 4.420 nan 0.000 0.276 738 P C -1.429 175.987 177.300 0.194 0.000 1.244 738 P CA 0.107 63.299 63.100 0.153 0.000 0.801 738 P CB 0.288 32.071 31.700 0.139 0.000 1.006 739 H N 1.761 120.886 119.070 0.092 0.000 2.597 739 H HA 0.305 4.861 4.556 -0.000 0.000 0.303 739 H C -0.826 174.558 175.328 0.092 0.000 1.057 739 H CA -0.998 55.094 56.048 0.073 0.000 1.261 739 H CB 0.701 30.495 29.762 0.054 0.000 1.397 739 H HN 0.184 nan 8.280 nan 0.000 0.461 740 L N 5.352 126.545 121.223 -0.050 0.000 2.331 740 L HA 0.257 4.597 4.340 -0.000 0.000 0.278 740 L C -0.555 176.158 176.870 -0.262 0.000 1.106 740 L CA 0.295 55.089 54.840 -0.077 0.000 0.824 740 L CB 1.329 43.403 42.059 0.025 0.000 1.142 740 L HN 0.558 nan 8.230 nan 0.000 0.443 741 T N 4.111 118.570 114.554 -0.159 0.000 2.841 741 T HA 0.592 4.942 4.350 -0.000 0.000 0.285 741 T C -0.528 174.121 174.700 -0.085 0.000 0.991 741 T CA -0.302 61.693 62.100 -0.175 0.000 0.966 741 T CB 1.043 69.791 68.868 -0.199 0.000 0.962 741 T HN 0.782 nan 8.240 nan 0.000 0.438 742 T N 2.320 116.800 114.554 -0.124 0.000 2.918 742 T HA 0.780 5.130 4.350 -0.000 0.000 0.286 742 T C -0.252 174.306 174.700 -0.238 0.000 1.026 742 T CA -0.693 61.246 62.100 -0.268 0.000 1.031 742 T CB 1.707 70.429 68.868 -0.243 0.000 1.046 742 T HN 0.616 nan 8.240 nan 0.000 0.479 743 S N 0.395 115.900 115.700 -0.324 0.000 2.840 743 S HA 0.444 4.914 4.470 -0.000 0.000 0.307 743 S C 0.531 174.982 174.600 -0.248 0.000 1.180 743 S CA -0.647 57.423 58.200 -0.217 0.000 0.846 743 S CB 1.574 64.683 63.200 -0.151 0.000 1.233 743 S HN 0.682 nan 8.310 nan 0.000 0.548 744 E N -0.060 120.048 120.200 -0.153 0.000 2.086 744 E HA 0.116 4.466 4.350 -0.000 0.000 0.190 744 E C 1.559 178.088 176.600 -0.118 0.000 0.975 744 E CA 0.785 57.110 56.400 -0.126 0.000 0.813 744 E CB -0.111 29.547 29.700 -0.071 0.000 0.768 744 E HN 0.596 nan 8.360 nan 0.000 0.457 745 M N 1.110 120.655 119.600 -0.092 0.000 2.619 745 M HA 0.024 4.504 4.480 -0.000 0.000 0.251 745 M C -0.652 175.620 176.300 -0.046 0.000 1.106 745 M CA 0.628 55.898 55.300 -0.049 0.000 1.086 745 M CB -0.310 32.279 32.600 -0.018 0.000 1.465 745 M HN 0.062 nan 8.290 nan 0.000 0.506 746 D N -1.825 118.485 120.400 -0.150 0.000 2.972 746 D HA 0.243 4.883 4.640 -0.000 0.000 0.294 746 D C -1.355 174.719 176.300 -0.376 0.000 1.211 746 D CA -0.708 53.228 54.000 -0.106 0.000 0.732 746 D CB 0.183 41.023 40.800 0.067 0.000 1.257 746 D HN -0.160 nan 8.370 nan 0.000 0.435 747 F N -0.366 119.647 119.950 0.104 0.000 2.443 747 F HA 0.629 5.156 4.527 -0.000 0.000 0.335 747 F C 0.153 176.047 175.800 0.156 0.000 1.104 747 F CA -0.810 57.238 58.000 0.081 0.000 1.013 747 F CB 1.876 40.891 39.000 0.024 0.000 1.136 747 F HN 0.484 nan 8.300 nan 0.000 0.470 748 C N 4.967 124.408 119.300 0.235 0.000 2.493 748 C HA 0.769 5.229 4.460 -0.000 0.000 0.326 748 C C -0.810 174.313 174.990 0.221 0.000 1.200 748 C CA -0.634 58.515 59.018 0.218 0.000 1.739 748 C CB 0.739 28.526 27.740 0.077 0.000 2.300 748 C HN 0.557 nan 8.230 nan 0.000 0.500 749 I N 3.746 124.503 120.570 0.313 0.000 2.478 749 I HA 0.488 4.658 4.170 -0.000 0.000 0.287 749 I C -0.355 175.985 176.117 0.371 0.000 1.042 749 I CA -0.197 61.306 61.300 0.339 0.000 1.067 749 I CB 1.316 39.585 38.000 0.449 0.000 1.233 749 I HN 0.714 nan 8.210 nan 0.000 0.431 750 E N 5.022 125.377 120.200 0.258 0.000 2.256 750 E HA 0.733 5.083 4.350 -0.000 0.000 0.267 750 E C -1.895 174.852 176.600 0.245 0.000 0.892 750 E CA -0.783 55.736 56.400 0.198 0.000 0.775 750 E CB 2.833 32.600 29.700 0.112 0.000 1.207 750 E HN 0.458 nan 8.360 nan 0.000 0.420 751 L N 4.238 125.578 121.223 0.196 0.000 2.611 751 L HA 0.472 4.812 4.340 -0.000 0.000 0.263 751 L C 0.183 177.110 176.870 0.096 0.000 0.969 751 L CA 0.695 55.649 54.840 0.190 0.000 0.894 751 L CB 1.208 43.446 42.059 0.297 0.000 1.229 751 L HN 0.779 nan 8.230 nan 0.000 0.416 752 G N 4.438 113.277 108.800 0.065 0.000 2.652 752 G HA2 -0.452 3.508 3.960 -0.000 0.000 0.318 752 G HA3 -0.452 3.508 3.960 -0.000 0.000 0.318 752 G C 0.668 175.562 174.900 -0.010 0.000 1.295 752 G CA 0.728 45.843 45.100 0.025 0.000 0.999 752 G HN 1.169 nan 8.290 nan 0.000 0.548 753 N N 1.175 119.858 118.700 -0.029 0.000 2.521 753 N HA 0.057 4.797 4.740 -0.000 0.000 0.188 753 N C 0.524 175.970 175.510 -0.108 0.000 1.146 753 N CA 1.036 54.049 53.050 -0.061 0.000 0.893 753 N CB 0.186 38.641 38.487 -0.053 0.000 0.975 753 N HN 0.666 nan 8.380 nan 0.000 0.451 754 K N 0.610 120.923 120.400 -0.145 0.000 2.235 754 K HA 0.387 4.707 4.320 -0.000 0.000 0.266 754 K C -0.404 175.924 176.600 -0.454 0.000 0.980 754 K CA -0.519 55.551 56.287 -0.363 0.000 0.849 754 K CB 1.704 33.916 32.500 -0.478 0.000 1.098 754 K HN 0.024 nan 8.250 nan 0.000 0.445 755 R N 1.971 122.183 120.500 -0.481 0.000 2.711 755 R HA 0.423 4.763 4.340 -0.000 0.000 0.284 755 R C -1.030 175.032 176.300 -0.398 0.000 0.968 755 R CA -0.789 55.163 56.100 -0.248 0.000 0.924 755 R CB 1.715 31.990 30.300 -0.043 0.000 1.162 755 R HN 0.504 nan 8.270 nan 0.000 0.465 756 W N 2.806 124.210 121.300 0.174 0.000 2.543 756 W HA 0.245 4.905 4.660 -0.000 0.000 0.318 756 W C -0.473 176.150 176.519 0.173 0.000 1.002 756 W CA -0.503 56.909 57.345 0.112 0.000 1.302 756 W CB 1.721 31.260 29.460 0.130 0.000 1.299 756 W HN 0.406 nan 8.180 nan 0.000 0.424 757 Q N 2.521 122.484 119.800 0.273 0.000 2.274 757 Q HA 0.357 4.697 4.340 -0.000 0.000 0.256 757 Q C -1.476 174.527 176.000 0.005 0.000 0.927 757 Q CA -0.183 55.764 55.803 0.240 0.000 0.939 757 Q CB 0.866 29.765 28.738 0.269 0.000 1.201 757 Q HN 0.301 nan 8.270 nan 0.000 0.426 758 F N 3.877 123.929 119.950 0.170 0.000 2.359 758 F HA 0.213 4.740 4.527 -0.000 0.000 0.369 758 F C 0.531 176.426 175.800 0.158 0.000 1.084 758 F CA -0.963 57.115 58.000 0.132 0.000 1.096 758 F CB 0.815 39.870 39.000 0.092 0.000 1.335 758 F HN 0.529 nan 8.300 nan 0.000 0.457 759 N N 3.013 121.851 118.700 0.229 0.000 2.292 759 N HA -0.070 4.670 4.740 -0.000 0.000 0.258 759 N C 1.188 176.815 175.510 0.195 0.000 1.261 759 N CA 0.579 53.736 53.050 0.178 0.000 0.845 759 N CB 0.725 39.296 38.487 0.140 0.000 1.064 759 N HN 0.670 nan 8.380 nan 0.000 0.471 760 R N 2.020 122.608 120.500 0.146 0.000 2.153 760 R HA -0.048 4.292 4.340 -0.000 0.000 0.218 760 R C 1.567 177.908 176.300 0.068 0.000 1.072 760 R CA 1.159 57.341 56.100 0.138 0.000 0.990 760 R CB 0.202 30.542 30.300 0.067 0.000 0.889 760 R HN 0.737 nan 8.270 nan 0.000 0.452 761 Q N -0.557 119.271 119.800 0.047 0.000 2.250 761 Q HA 0.012 4.352 4.340 -0.000 0.000 0.200 761 Q C 1.976 177.974 176.000 -0.004 0.000 0.941 761 Q CA 1.323 57.136 55.803 0.018 0.000 0.872 761 Q CB 0.103 28.857 28.738 0.027 0.000 0.965 761 Q HN 0.176 nan 8.270 nan 0.000 0.480 762 S N 0.298 116.014 115.700 0.027 0.000 2.371 762 S HA 0.159 4.629 4.470 -0.000 0.000 0.221 762 S C 1.693 176.177 174.600 -0.194 0.000 1.036 762 S CA 0.966 59.181 58.200 0.025 0.000 0.965 762 S CB -0.089 63.228 63.200 0.197 0.000 0.845 762 S HN 0.601 nan 8.310 nan 0.000 0.475 763 G N 0.088 108.805 108.800 -0.138 0.000 2.159 763 G HA2 -0.148 3.812 3.960 -0.000 0.000 0.227 763 G HA3 -0.148 3.812 3.960 -0.000 0.000 0.227 763 G C -0.208 174.594 174.900 -0.163 0.000 0.986 763 G CA 0.099 45.081 45.100 -0.196 0.000 0.651 763 G HN 0.488 nan 8.290 nan 0.000 0.523 764 F N -0.261 119.860 119.950 0.284 0.000 2.508 764 F HA 0.638 5.165 4.527 -0.000 0.000 0.325 764 F C 0.605 176.394 175.800 -0.018 0.000 1.090 764 F CA -1.580 56.539 58.000 0.198 0.000 0.945 764 F CB 1.607 40.695 39.000 0.147 0.000 1.156 764 F HN 0.057 nan 8.300 nan 0.000 0.463 765 L N 2.783 123.928 121.223 -0.130 0.000 2.827 765 L HA 0.016 4.356 4.340 -0.000 0.000 0.280 765 L C 0.865 177.581 176.870 -0.257 0.000 1.122 765 L CA 0.595 54.952 54.840 -0.806 0.000 1.044 765 L CB -0.250 41.333 42.059 -0.793 0.000 1.402 765 L HN 0.719 nan 8.230 nan 0.000 0.467 766 S N 2.363 117.964 115.700 -0.166 0.000 2.527 766 S HA 0.121 4.591 4.470 -0.000 0.000 0.222 766 S C 0.418 174.935 174.600 -0.138 0.000 0.985 766 S CA 0.275 58.438 58.200 -0.060 0.000 0.921 766 S CB -0.129 63.081 63.200 0.017 0.000 0.772 766 S HN 0.760 nan 8.310 nan 0.000 0.529 767 Q N 0.308 119.974 119.800 -0.222 0.000 2.721 767 Q HA 0.572 4.912 4.340 -0.000 0.000 0.282 767 Q C -1.840 173.891 176.000 -0.448 0.000 0.932 767 Q CA -0.566 55.006 55.803 -0.385 0.000 0.816 767 Q CB 1.037 29.477 28.738 -0.497 0.000 1.506 767 Q HN 0.352 nan 8.270 nan 0.000 0.399 768 M N 1.071 120.298 119.600 -0.621 0.000 2.284 768 M HA 0.681 5.161 4.480 -0.000 0.000 0.281 768 M C -1.922 174.034 176.300 -0.573 0.000 1.083 768 M CA -0.337 54.658 55.300 -0.509 0.000 0.965 768 M CB 1.678 34.005 32.600 -0.455 0.000 1.717 768 M HN 0.508 nan 8.290 nan 0.000 0.479 769 W N 4.223 125.305 121.300 -0.363 0.000 2.570 769 W HA 0.684 5.344 4.660 -0.000 0.000 0.337 769 W C -1.143 175.177 176.519 -0.331 0.000 1.067 769 W CA -0.889 56.289 57.345 -0.278 0.000 1.229 769 W CB 1.843 31.174 29.460 -0.214 0.000 1.355 769 W HN 0.594 nan 8.180 nan 0.000 0.555 770 I N 2.418 122.988 120.570 -0.001 0.000 2.439 770 I HA 0.369 4.539 4.170 -0.000 0.000 0.283 770 I C 0.779 176.897 176.117 0.000 0.000 1.023 770 I CA 0.202 61.461 61.300 -0.067 0.000 1.100 770 I CB 1.256 39.189 38.000 -0.113 0.000 1.238 770 I HN 0.735 nan 8.210 nan 0.000 0.445 771 G N 5.605 114.396 108.800 -0.015 0.000 2.561 771 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.289 771 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.289 771 G C 0.422 175.345 174.900 0.038 0.000 1.169 771 G CA 0.600 45.695 45.100 -0.008 0.000 0.980 771 G HN 0.717 nan 8.290 nan 0.000 0.550 772 D N 0.923 121.356 120.400 0.056 0.000 2.360 772 D HA 0.158 4.798 4.640 -0.000 0.000 0.210 772 D C 0.902 177.350 176.300 0.247 0.000 1.047 772 D CA 0.368 54.433 54.000 0.109 0.000 0.854 772 D CB 0.091 40.914 40.800 0.038 0.000 0.936 772 D HN 0.549 nan 8.370 nan 0.000 0.514 773 K N 1.440 121.930 120.400 0.150 0.000 2.349 773 K HA 0.169 4.489 4.320 -0.000 0.000 0.288 773 K C 0.030 176.594 176.600 -0.060 0.000 1.058 773 K CA -0.209 56.112 56.287 0.056 0.000 0.953 773 K CB 0.940 33.437 32.500 -0.004 0.000 0.997 773 K HN 0.002 nan 8.250 nan 0.000 0.477 774 K N 3.081 123.359 120.400 -0.204 0.000 2.322 774 K HA 0.022 4.342 4.320 -0.000 0.000 0.283 774 K C 0.616 177.024 176.600 -0.319 0.000 1.042 774 K CA -0.546 55.422 56.287 -0.532 0.000 0.958 774 K CB 0.894 33.117 32.500 -0.462 0.000 0.984 774 K HN 0.358 nan 8.250 nan 0.000 0.473 775 Q N 1.345 120.942 119.800 -0.338 0.000 2.204 775 Q HA 0.146 4.486 4.340 -0.000 0.000 0.198 775 Q C 0.465 176.380 176.000 -0.142 0.000 0.946 775 Q CA 1.016 56.727 55.803 -0.154 0.000 0.859 775 Q CB 0.199 28.889 28.738 -0.080 0.000 0.946 775 Q HN 0.544 nan 8.270 nan 0.000 0.474 776 L N 0.820 121.911 121.223 -0.220 0.000 2.325 776 L HA 0.347 4.687 4.340 -0.000 0.000 0.278 776 L C 0.965 177.712 176.870 -0.206 0.000 1.023 776 L CA -0.373 54.358 54.840 -0.182 0.000 0.811 776 L CB 1.365 43.324 42.059 -0.166 0.000 1.249 776 L HN -0.004 nan 8.230 nan 0.000 0.431 777 L N 0.375 121.468 121.223 -0.218 0.000 2.556 777 L HA 0.222 4.562 4.340 -0.000 0.000 0.226 777 L C 0.457 177.215 176.870 -0.187 0.000 1.089 777 L CA 0.590 55.307 54.840 -0.205 0.000 0.864 777 L CB 0.514 42.435 42.059 -0.230 0.000 1.067 777 L HN 0.613 nan 8.230 nan 0.000 0.477 778 T N 0.344 114.770 114.554 -0.212 0.000 2.909 778 T HA 0.444 4.794 4.350 -0.000 0.000 0.299 778 T C -2.609 172.032 174.700 -0.099 0.000 1.073 778 T CA -1.095 60.920 62.100 -0.142 0.000 0.999 778 T CB 2.741 71.490 68.868 -0.198 0.000 1.098 778 T HN -0.196 nan 8.240 nan 0.000 0.477 779 P HA 0.342 nan 4.420 nan 0.000 0.276 779 P C -0.825 176.450 177.300 -0.042 0.000 1.244 779 P CA -0.752 62.334 63.100 -0.023 0.000 0.801 779 P CB 0.535 32.258 31.700 0.040 0.000 1.006 780 L N 3.169 124.390 121.223 -0.004 0.000 2.363 780 L HA 0.231 4.571 4.340 -0.000 0.000 0.286 780 L C 0.489 177.274 176.870 -0.141 0.000 1.106 780 L CA 0.384 55.231 54.840 0.011 0.000 0.859 780 L CB -0.710 41.457 42.059 0.181 0.000 1.223 780 L HN 0.381 nan 8.230 nan 0.000 0.446 781 R N 1.850 122.178 120.500 -0.287 0.000 2.905 781 R HA 0.657 4.997 4.340 -0.000 0.000 0.260 781 R C -1.100 175.010 176.300 -0.317 0.000 1.086 781 R CA -1.189 54.585 56.100 -0.543 0.000 0.978 781 R CB 0.493 30.247 30.300 -0.910 0.000 1.215 781 R HN 0.280 nan 8.270 nan 0.000 0.480 782 D N 0.956 121.196 120.400 -0.266 0.000 2.414 782 D HA 0.070 4.710 4.640 -0.000 0.000 0.242 782 D C -0.670 175.145 176.300 -0.810 0.000 1.129 782 D CA 0.319 54.012 54.000 -0.512 0.000 0.885 782 D CB 0.717 41.191 40.800 -0.544 0.000 1.198 782 D HN 0.299 nan 8.370 nan 0.000 0.437 783 Q N 1.150 120.301 119.800 -1.082 0.000 2.304 783 Q HA 0.350 4.690 4.340 -0.000 0.000 0.270 783 Q C -0.985 174.215 176.000 -1.334 0.000 1.035 783 Q CA -0.586 54.631 55.803 -0.977 0.000 0.781 783 Q CB 0.848 29.257 28.738 -0.548 0.000 1.261 783 Q HN 0.434 nan 8.270 nan 0.000 0.444 784 F N 0.252 119.830 119.950 -0.621 0.000 2.746 784 F HA 0.181 4.708 4.527 -0.000 0.000 0.320 784 F C 0.721 176.123 175.800 -0.663 0.000 1.097 784 F CA -0.171 57.382 58.000 -0.746 0.000 1.195 784 F CB 1.155 39.450 39.000 -1.174 0.000 1.056 784 F HN 0.406 nan 8.300 nan 0.000 0.562 785 T N -0.661 113.591 114.554 -0.504 0.000 2.883 785 T HA 0.833 5.183 4.350 -0.000 0.000 0.284 785 T C -0.520 173.926 174.700 -0.423 0.000 1.041 785 T CA -0.934 60.799 62.100 -0.611 0.000 1.007 785 T CB 2.806 71.290 68.868 -0.641 0.000 1.220 785 T HN 0.260 nan 8.240 nan 0.000 0.552 786 R N -0.395 119.918 120.500 -0.312 0.000 2.707 786 R HA 0.746 5.085 4.340 -0.000 0.000 0.272 786 R C -0.968 175.365 176.300 0.054 0.000 1.011 786 R CA -1.184 54.847 56.100 -0.116 0.000 0.893 786 R CB 1.434 31.678 30.300 -0.094 0.000 1.233 786 R HN 0.841 nan 8.270 nan 0.000 0.464 787 A N 3.721 126.551 122.820 0.016 0.000 2.476 787 A HA 0.282 4.602 4.320 -0.000 0.000 0.275 787 A C -1.953 175.670 177.584 0.064 0.000 1.133 787 A CA -1.264 50.777 52.037 0.007 0.000 0.797 787 A CB -0.581 18.379 19.000 -0.066 0.000 1.081 787 A HN 0.561 nan 8.150 nan 0.000 0.510 788 P HA -0.015 nan 4.420 nan 0.000 0.263 788 P C -0.137 177.260 177.300 0.161 0.000 1.168 788 P CA 0.596 63.830 63.100 0.223 0.000 0.759 788 P CB 0.323 32.185 31.700 0.271 0.000 0.782 789 L N 2.511 123.810 121.223 0.125 0.000 2.468 789 L HA 0.152 4.492 4.340 -0.000 0.000 0.254 789 L C 1.897 178.768 176.870 0.001 0.000 1.171 789 L CA -0.397 54.456 54.840 0.021 0.000 0.809 789 L CB 0.077 42.093 42.059 -0.073 0.000 1.155 789 L HN 0.310 nan 8.230 nan 0.000 0.473 790 D N 0.285 120.606 120.400 -0.131 0.000 2.117 790 D HA -0.155 4.485 4.640 -0.000 0.000 0.197 790 D C 1.632 177.803 176.300 -0.214 0.000 0.987 790 D CA 1.359 55.179 54.000 -0.299 0.000 0.829 790 D CB 0.048 40.563 40.800 -0.474 0.000 0.961 790 D HN 0.456 nan 8.370 nan 0.000 0.460 791 N N 1.142 119.739 118.700 -0.172 0.000 2.205 791 N HA -0.130 4.609 4.740 -0.000 0.000 0.186 791 N C 1.199 176.688 175.510 -0.034 0.000 1.015 791 N CA 0.864 53.841 53.050 -0.122 0.000 0.862 791 N CB -0.233 38.182 38.487 -0.119 0.000 0.986 791 N HN 0.292 nan 8.380 nan 0.000 0.429 792 D N 0.117 120.526 120.400 0.015 0.000 2.194 792 D HA 0.062 4.702 4.640 -0.000 0.000 0.204 792 D C 2.053 178.395 176.300 0.070 0.000 0.964 792 D CA 0.339 54.396 54.000 0.095 0.000 0.846 792 D CB 0.148 41.069 40.800 0.202 0.000 0.962 792 D HN 0.311 nan 8.370 nan 0.000 0.490 793 I N 0.330 120.918 120.570 0.032 0.000 2.206 793 I HA 0.018 4.188 4.170 -0.000 0.000 0.239 793 I C 2.052 178.164 176.117 -0.008 0.000 1.078 793 I CA 0.907 62.216 61.300 0.015 0.000 1.367 793 I CB -0.560 37.431 38.000 -0.015 0.000 1.078 793 I HN 0.093 nan 8.210 nan 0.000 0.413 794 G N 1.317 110.091 108.800 -0.044 0.000 2.595 794 G HA2 -0.349 3.611 3.960 -0.000 0.000 0.297 794 G HA3 -0.349 3.611 3.960 -0.000 0.000 0.297 794 G C 0.645 175.649 174.900 0.175 0.000 1.181 794 G CA 0.968 46.102 45.100 0.057 0.000 0.963 794 G HN 0.678 nan 8.290 nan 0.000 0.541 795 V N -2.412 117.602 119.914 0.166 0.000 3.085 795 V HA 0.727 4.847 4.120 -0.000 0.000 0.345 795 V C 0.807 176.945 176.094 0.074 0.000 1.397 795 V CA 0.912 63.316 62.300 0.172 0.000 1.165 795 V CB 0.485 32.366 31.823 0.097 0.000 1.153 795 V HN 0.951 nan 8.190 nan 0.000 0.495 796 S N 1.922 117.651 115.700 0.048 0.000 2.510 796 S HA 0.347 4.817 4.470 -0.000 0.000 0.279 796 S C -0.046 174.578 174.600 0.039 0.000 1.284 796 S CA 0.154 58.373 58.200 0.030 0.000 1.059 796 S CB 0.224 63.438 63.200 0.024 0.000 0.901 796 S HN 0.774 nan 8.310 nan 0.000 0.491 797 E N 1.866 122.086 120.200 0.034 0.000 2.234 797 E HA 0.422 4.772 4.350 -0.000 0.000 0.266 797 E C 0.735 177.358 176.600 0.037 0.000 0.877 797 E CA -0.572 55.853 56.400 0.040 0.000 0.758 797 E CB 1.572 31.295 29.700 0.038 0.000 1.170 797 E HN 0.653 nan 8.360 nan 0.000 0.415 798 A N 2.581 125.428 122.820 0.045 0.000 2.001 798 A HA -0.301 4.019 4.320 -0.000 0.000 0.224 798 A C 1.861 179.465 177.584 0.033 0.000 1.203 798 A CA 2.843 54.905 52.037 0.041 0.000 0.667 798 A CB -0.786 18.242 19.000 0.047 0.000 0.823 798 A HN 0.680 nan 8.150 nan 0.000 0.473 799 T N -1.229 113.344 114.554 0.032 0.000 2.706 799 T HA 0.060 4.410 4.350 -0.000 0.000 0.255 799 T C 1.133 175.843 174.700 0.016 0.000 1.048 799 T CA 0.888 63.002 62.100 0.024 0.000 1.153 799 T CB -0.059 68.823 68.868 0.023 0.000 0.865 799 T HN 0.423 nan 8.240 nan 0.000 0.414 800 R N 0.856 121.364 120.500 0.013 0.000 2.202 800 R HA 0.474 4.814 4.340 -0.000 0.000 0.334 800 R C -1.349 174.955 176.300 0.007 0.000 1.036 800 R CA -0.390 55.712 56.100 0.003 0.000 0.878 800 R CB 0.432 30.729 30.300 -0.007 0.000 1.067 800 R HN 0.160 nan 8.270 nan 0.000 0.457 801 I N 2.337 122.909 120.570 0.003 0.000 2.404 801 I HA 0.089 4.258 4.170 -0.000 0.000 0.293 801 I C -0.531 175.581 176.117 -0.009 0.000 0.992 801 I CA -0.982 60.320 61.300 0.004 0.000 1.149 801 I CB 1.757 39.763 38.000 0.010 0.000 1.315 801 I HN 0.443 nan 8.210 nan 0.000 0.446 802 D N 9.182 129.574 120.400 -0.013 0.000 2.499 802 D HA 0.340 4.980 4.640 -0.000 0.000 0.225 802 D C -1.660 174.608 176.300 -0.053 0.000 1.124 802 D CA -2.217 51.764 54.000 -0.032 0.000 0.938 802 D CB 1.129 41.910 40.800 -0.032 0.000 1.014 802 D HN 0.172 nan 8.370 nan 0.000 0.517 803 P HA -0.255 nan 4.420 nan 0.000 0.222 803 P C 0.871 178.096 177.300 -0.125 0.000 1.155 803 P CA 1.174 64.231 63.100 -0.071 0.000 0.890 803 P CB 0.262 31.923 31.700 -0.064 0.000 0.790 804 N N -0.367 118.251 118.700 -0.137 0.000 2.453 804 N HA -0.007 4.733 4.740 -0.000 0.000 0.183 804 N C 0.862 176.197 175.510 -0.291 0.000 1.041 804 N CA 0.647 53.569 53.050 -0.214 0.000 0.900 804 N CB -0.754 37.627 38.487 -0.177 0.000 0.961 804 N HN 0.186 nan 8.380 nan 0.000 0.443 805 A N -0.018 122.682 122.820 -0.200 0.000 2.531 805 A HA -0.002 4.318 4.320 -0.000 0.000 0.236 805 A C 0.889 178.305 177.584 -0.280 0.000 1.062 805 A CA -0.285 51.640 52.037 -0.187 0.000 0.760 805 A CB -0.067 18.890 19.000 -0.073 0.000 0.995 805 A HN 0.358 nan 8.150 nan 0.000 0.501 806 W N 1.908 122.974 121.300 -0.389 0.000 2.311 806 W HA -0.210 4.450 4.660 -0.000 0.000 0.326 806 W C 2.301 178.380 176.519 -0.734 0.000 1.239 806 W CA 1.849 58.710 57.345 -0.806 0.000 1.258 806 W CB -0.558 28.252 29.460 -1.085 0.000 1.165 806 W HN 0.569 nan 8.180 nan 0.000 0.466 807 V N 1.147 121.046 119.914 -0.025 0.000 2.363 807 V HA -0.343 3.777 4.120 -0.000 0.000 0.254 807 V C 2.091 178.341 176.094 0.260 0.000 1.074 807 V CA 2.367 64.869 62.300 0.335 0.000 1.069 807 V CB -0.411 31.581 31.823 0.281 0.000 0.659 807 V HN 0.181 nan 8.190 nan 0.000 0.455 808 E N -0.527 119.714 120.200 0.068 0.000 2.216 808 E HA -0.109 4.241 4.350 -0.000 0.000 0.192 808 E C 2.356 178.975 176.600 0.031 0.000 0.988 808 E CA 0.721 57.153 56.400 0.052 0.000 0.834 808 E CB -0.261 29.434 29.700 -0.007 0.000 0.772 808 E HN 0.631 nan 8.360 nan 0.000 0.479 809 R N -0.225 120.231 120.500 -0.073 0.000 2.073 809 R HA -0.074 4.266 4.340 -0.000 0.000 0.229 809 R C 2.180 178.499 176.300 0.032 0.000 1.120 809 R CA 0.819 56.845 56.100 -0.123 0.000 0.967 809 R CB -0.131 29.947 30.300 -0.370 0.000 0.862 809 R HN 0.251 nan 8.270 nan 0.000 0.436 810 W N 1.707 122.996 121.300 -0.019 0.000 2.378 810 W HA -0.019 4.641 4.660 -0.000 0.000 0.313 810 W C 2.040 178.569 176.519 0.015 0.000 1.197 810 W CA 0.527 57.764 57.345 -0.180 0.000 1.304 810 W CB -0.723 28.690 29.460 -0.078 0.000 1.148 810 W HN 0.062 nan 8.180 nan 0.000 0.494 811 K N 0.082 120.757 120.400 0.459 0.000 2.074 811 K HA -0.162 4.158 4.320 -0.000 0.000 0.209 811 K C 2.137 178.869 176.600 0.219 0.000 1.048 811 K CA 1.947 58.457 56.287 0.372 0.000 0.926 811 K CB -0.515 32.140 32.500 0.258 0.000 0.713 811 K HN 0.014 nan 8.250 nan 0.000 0.444 812 A N 0.905 123.825 122.820 0.168 0.000 2.014 812 A HA 0.020 4.340 4.320 -0.000 0.000 0.218 812 A C 2.201 179.885 177.584 0.167 0.000 1.163 812 A CA 1.440 53.560 52.037 0.140 0.000 0.652 812 A CB -0.337 18.718 19.000 0.090 0.000 0.808 812 A HN 0.327 nan 8.150 nan 0.000 0.449 813 A N -1.897 121.025 122.820 0.170 0.000 2.067 813 A HA 0.382 4.702 4.320 -0.000 0.000 0.217 813 A C 1.904 179.632 177.584 0.241 0.000 1.156 813 A CA 1.489 53.662 52.037 0.227 0.000 0.683 813 A CB -0.620 18.529 19.000 0.248 0.000 0.808 813 A HN 1.766 nan 8.150 nan 0.000 0.455 814 G N -2.251 106.590 108.800 0.070 0.000 2.179 814 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.220 814 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.220 814 G C 0.725 175.549 174.900 -0.127 0.000 0.990 814 G CA 0.542 45.367 45.100 -0.458 0.000 0.646 814 G HN 0.649 nan 8.290 nan 0.000 0.517 815 H N -0.973 118.048 119.070 -0.081 0.000 2.400 815 H HA -0.214 4.342 4.556 -0.000 0.000 0.295 815 H C 2.179 177.439 175.328 -0.114 0.000 1.118 815 H CA 2.025 58.030 56.048 -0.071 0.000 1.256 815 H CB 0.034 29.679 29.762 -0.195 0.000 1.365 815 H HN 0.596 nan 8.280 nan 0.000 0.502 816 Y N 0.637 121.014 120.300 0.129 0.000 2.395 816 Y HA -0.086 4.464 4.550 -0.000 0.000 0.293 816 Y C 1.700 177.633 175.900 0.054 0.000 1.123 816 Y CA 0.802 58.943 58.100 0.067 0.000 1.227 816 Y CB 0.316 38.809 38.460 0.054 0.000 1.012 816 Y HN 0.271 nan 8.280 nan 0.000 0.552 817 Q N -0.390 119.496 119.800 0.145 0.000 2.172 817 Q HA 0.439 4.779 4.340 -0.000 0.000 0.217 817 Q C 0.174 176.257 176.000 0.139 0.000 0.832 817 Q CA -0.154 55.720 55.803 0.119 0.000 1.010 817 Q CB 0.777 29.575 28.738 0.100 0.000 1.133 817 Q HN 0.170 nan 8.270 nan 0.000 0.489 818 A N 1.452 124.377 122.820 0.174 0.000 2.388 818 A HA 0.219 4.539 4.320 -0.000 0.000 0.257 818 A C 0.028 177.861 177.584 0.414 0.000 1.095 818 A CA -0.360 51.853 52.037 0.292 0.000 0.791 818 A CB 0.415 19.596 19.000 0.302 0.000 1.029 818 A HN 0.144 nan 8.150 nan 0.000 0.489 819 E N 0.935 121.312 120.200 0.296 0.000 2.259 819 E HA 0.438 4.788 4.350 -0.000 0.000 0.281 819 E C -0.025 176.558 176.600 -0.029 0.000 1.027 819 E CA -0.148 56.356 56.400 0.173 0.000 0.838 819 E CB 1.665 31.439 29.700 0.123 0.000 1.066 819 E HN 0.683 nan 8.360 nan 0.000 0.401 820 A N 2.045 124.752 122.820 -0.189 0.000 2.327 820 A HA 0.628 4.948 4.320 -0.000 0.000 0.283 820 A C -0.417 177.021 177.584 -0.243 0.000 1.127 820 A CA -0.302 51.350 52.037 -0.640 0.000 0.810 820 A CB 0.782 19.364 19.000 -0.697 0.000 1.066 820 A HN 0.582 nan 8.150 nan 0.000 0.492 821 A N 2.390 125.061 122.820 -0.247 0.000 2.414 821 A HA 0.542 4.862 4.320 -0.000 0.000 0.286 821 A C -0.718 176.740 177.584 -0.210 0.000 1.073 821 A CA -0.544 51.406 52.037 -0.146 0.000 0.727 821 A CB 0.607 19.552 19.000 -0.091 0.000 1.215 821 A HN 1.124 nan 8.150 nan 0.000 0.430 822 L N 2.842 123.880 121.223 -0.309 0.000 2.499 822 L HA 0.247 4.587 4.340 -0.000 0.000 0.273 822 L C 0.433 177.135 176.870 -0.280 0.000 1.195 822 L CA 0.231 54.770 54.840 -0.502 0.000 0.882 822 L CB 0.152 41.965 42.059 -0.410 0.000 1.133 822 L HN 0.772 nan 8.230 nan 0.000 0.483 823 L N 3.429 124.497 121.223 -0.258 0.000 2.717 823 L HA 0.361 4.701 4.340 -0.000 0.000 0.239 823 L C 0.295 177.098 176.870 -0.111 0.000 1.086 823 L CA -0.064 54.698 54.840 -0.129 0.000 0.897 823 L CB 0.111 42.131 42.059 -0.064 0.000 1.214 823 L HN 0.753 nan 8.230 nan 0.000 0.508 824 Q N -0.304 119.406 119.800 -0.150 0.000 2.617 824 Q HA 0.428 4.768 4.340 -0.000 0.000 0.270 824 Q C -2.132 173.795 176.000 -0.121 0.000 0.967 824 Q CA -0.645 55.096 55.803 -0.103 0.000 0.887 824 Q CB 2.640 31.344 28.738 -0.058 0.000 1.516 824 Q HN 0.052 nan 8.270 nan 0.000 0.395 825 C N 2.268 121.506 119.300 -0.102 0.000 2.880 825 C HA 0.966 5.426 4.460 -0.000 0.000 0.320 825 C C -1.336 173.559 174.990 -0.159 0.000 1.176 825 C CA 0.646 59.586 59.018 -0.131 0.000 1.390 825 C CB 1.430 29.116 27.740 -0.091 0.000 1.846 825 C HN 0.917 nan 8.230 nan 0.000 0.478 826 T N 2.235 116.634 114.554 -0.259 0.000 3.012 826 T HA 0.807 5.157 4.350 -0.000 0.000 0.330 826 T C -0.998 173.439 174.700 -0.438 0.000 1.321 826 T CA 0.048 61.984 62.100 -0.273 0.000 1.067 826 T CB 1.358 70.138 68.868 -0.147 0.000 1.235 826 T HN 2.072 nan 8.240 nan 0.000 0.479 827 A N 2.420 124.952 122.820 -0.480 0.000 2.422 827 A HA 0.866 5.186 4.320 -0.000 0.000 0.302 827 A C -1.340 176.114 177.584 -0.217 0.000 1.041 827 A CA -0.677 51.073 52.037 -0.478 0.000 0.708 827 A CB 1.528 20.038 19.000 -0.817 0.000 1.257 827 A HN 0.920 nan 8.150 nan 0.000 0.414 828 D N -0.259 120.047 120.400 -0.156 0.000 2.602 828 D HA 0.619 5.259 4.640 -0.000 0.000 0.236 828 D C -1.071 175.197 176.300 -0.053 0.000 1.209 828 D CA -0.065 53.888 54.000 -0.078 0.000 0.831 828 D CB 2.081 42.840 40.800 -0.068 0.000 1.478 828 D HN 0.334 nan 8.370 nan 0.000 0.438 829 T N 1.576 116.118 114.554 -0.020 0.000 2.770 829 T HA 0.527 4.877 4.350 -0.000 0.000 0.283 829 T C -0.622 174.076 174.700 -0.004 0.000 0.988 829 T CA -0.452 61.645 62.100 -0.004 0.000 0.957 829 T CB 0.482 69.365 68.868 0.024 0.000 0.930 829 T HN 0.065 nan 8.240 nan 0.000 0.443 830 L N 1.879 123.097 121.223 -0.008 0.000 2.416 830 L HA 0.645 4.985 4.340 -0.000 0.000 0.263 830 L C 1.753 178.623 176.870 -0.000 0.000 1.065 830 L CA -0.258 54.578 54.840 -0.007 0.000 0.798 830 L CB 0.226 42.277 42.059 -0.014 0.000 1.267 830 L HN 0.692 nan 8.230 nan 0.000 0.467 831 A N -0.314 122.505 122.820 -0.002 0.000 1.969 831 A HA -0.128 4.192 4.320 -0.000 0.000 0.218 831 A C 1.037 178.621 177.584 -0.001 0.000 1.169 831 A CA 1.849 53.886 52.037 -0.000 0.000 0.635 831 A CB -0.682 18.316 19.000 -0.003 0.000 0.810 831 A HN 0.861 nan 8.150 nan 0.000 0.445 832 D N -1.770 118.627 120.400 -0.005 0.000 2.433 832 D HA 0.549 5.189 4.640 -0.000 0.000 0.211 832 D C 0.262 176.558 176.300 -0.007 0.000 1.114 832 D CA 0.795 54.790 54.000 -0.007 0.000 0.837 832 D CB 0.525 41.317 40.800 -0.012 0.000 0.984 832 D HN 0.505 nan 8.370 nan 0.000 0.505 833 A N -0.437 122.379 122.820 -0.007 0.000 2.522 833 A HA 0.520 4.840 4.320 -0.000 0.000 0.291 833 A C -1.562 176.009 177.584 -0.021 0.000 1.039 833 A CA -0.836 51.191 52.037 -0.016 0.000 0.643 833 A CB 0.631 19.615 19.000 -0.028 0.000 1.310 833 A HN -0.051 nan 8.150 nan 0.000 0.436 834 V N 0.657 120.549 119.914 -0.035 0.000 2.509 834 V HA 0.582 4.702 4.120 -0.000 0.000 0.284 834 V C -0.381 175.661 176.094 -0.086 0.000 1.047 834 V CA -0.230 62.039 62.300 -0.051 0.000 0.952 834 V CB 1.154 32.950 31.823 -0.045 0.000 0.988 834 V HN 0.861 nan 8.190 nan 0.000 0.469 835 L N 6.361 127.523 121.223 -0.102 0.000 2.372 835 L HA 0.612 4.952 4.340 -0.000 0.000 0.274 835 L C -0.736 176.032 176.870 -0.170 0.000 0.988 835 L CA 0.016 54.793 54.840 -0.106 0.000 0.833 835 L CB 1.114 43.132 42.059 -0.069 0.000 1.236 835 L HN 0.395 nan 8.230 nan 0.000 0.410 836 I N 3.587 124.047 120.570 -0.184 0.000 2.498 836 I HA 0.555 4.725 4.170 -0.000 0.000 0.301 836 I C 0.035 176.114 176.117 -0.064 0.000 0.984 836 I CA -0.307 60.827 61.300 -0.277 0.000 1.204 836 I CB 1.794 39.433 38.000 -0.601 0.000 1.362 836 I HN 0.569 nan 8.210 nan 0.000 0.471 837 T N 3.797 118.295 114.554 -0.094 0.000 2.991 837 T HA 0.562 4.912 4.350 -0.000 0.000 0.303 837 T C -0.202 174.505 174.700 0.013 0.000 1.015 837 T CA -0.551 61.547 62.100 -0.002 0.000 1.007 837 T CB 1.782 70.624 68.868 -0.044 0.000 1.034 837 T HN 0.828 nan 8.240 nan 0.000 0.446 838 T N -0.170 114.457 114.554 0.121 0.000 2.887 838 T HA 0.939 5.289 4.350 -0.000 0.000 0.292 838 T C -1.203 173.591 174.700 0.157 0.000 1.087 838 T CA -1.116 61.062 62.100 0.129 0.000 1.009 838 T CB 2.140 71.158 68.868 0.250 0.000 1.203 838 T HN 0.884 nan 8.240 nan 0.000 0.518 839 A N 1.261 124.138 122.820 0.095 0.000 2.500 839 A HA 0.689 5.009 4.320 -0.000 0.000 0.291 839 A C -1.573 176.034 177.584 0.039 0.000 1.048 839 A CA -0.784 51.338 52.037 0.143 0.000 0.791 839 A CB 0.608 19.645 19.000 0.063 0.000 1.309 839 A HN 0.976 nan 8.150 nan 0.000 0.397 840 H N 0.247 119.385 119.070 0.113 0.000 2.894 840 H HA 0.873 5.429 4.556 -0.000 0.000 0.368 840 H C 0.016 175.410 175.328 0.111 0.000 1.181 840 H CA 0.109 56.163 56.048 0.011 0.000 1.146 840 H CB 2.095 31.764 29.762 -0.155 0.000 1.839 840 H HN 1.073 nan 8.280 nan 0.000 0.557 841 A N 1.124 124.010 122.820 0.110 0.000 2.393 841 A HA 0.470 4.790 4.320 -0.000 0.000 0.306 841 A C -1.497 176.150 177.584 0.105 0.000 1.050 841 A CA -0.716 51.430 52.037 0.182 0.000 0.724 841 A CB 1.261 20.321 19.000 0.101 0.000 1.248 841 A HN 0.548 nan 8.150 nan 0.000 0.424 842 W N 1.956 123.350 121.300 0.157 0.000 2.376 842 W HA 0.436 5.096 4.660 -0.000 0.000 0.312 842 W C -0.349 176.173 176.519 0.005 0.000 1.060 842 W CA -0.148 57.283 57.345 0.143 0.000 1.221 842 W CB 1.750 31.366 29.460 0.260 0.000 1.281 842 W HN 0.731 nan 8.180 nan 0.000 0.456 843 Q N 1.724 121.643 119.800 0.198 0.000 2.413 843 Q HA 0.410 4.750 4.340 -0.000 0.000 0.276 843 Q C -0.993 175.133 176.000 0.209 0.000 1.099 843 Q CA -0.751 55.130 55.803 0.129 0.000 0.814 843 Q CB 3.714 32.498 28.738 0.075 0.000 1.379 843 Q HN 0.433 nan 8.270 nan 0.000 0.436 844 H N 1.576 120.663 119.070 0.028 0.000 3.083 844 H HA 0.056 4.612 4.556 -0.000 0.000 0.339 844 H C -0.892 174.456 175.328 0.034 0.000 1.020 844 H CA -0.110 55.965 56.048 0.045 0.000 1.360 844 H CB 1.119 30.915 29.762 0.057 0.000 1.811 844 H HN 0.800 nan 8.280 nan 0.000 0.493 845 Q N 3.185 122.723 119.800 -0.438 0.000 2.385 845 Q HA -0.313 4.027 4.340 -0.000 0.000 0.311 845 Q C 1.027 176.952 176.000 -0.126 0.000 1.259 845 Q CA 1.196 56.817 55.803 -0.304 0.000 0.921 845 Q CB -1.241 27.268 28.738 -0.382 0.000 1.209 845 Q HN 1.163 nan 8.270 nan 0.000 0.473 846 G N -0.042 108.719 108.800 -0.065 0.000 2.659 846 G HA2 -0.367 3.593 3.960 -0.000 0.000 0.212 846 G HA3 -0.367 3.593 3.960 -0.000 0.000 0.212 846 G C 0.146 175.040 174.900 -0.011 0.000 1.226 846 G CA 0.069 45.152 45.100 -0.029 0.000 0.739 846 G HN 0.400 nan 8.290 nan 0.000 0.528 847 K N 2.168 122.562 120.400 -0.011 0.000 2.412 847 K HA 0.474 4.794 4.320 -0.000 0.000 0.281 847 K C -0.333 176.266 176.600 -0.002 0.000 1.027 847 K CA 0.672 56.959 56.287 -0.000 0.000 0.989 847 K CB 0.308 32.813 32.500 0.008 0.000 0.935 847 K HN 0.169 nan 8.250 nan 0.000 0.475 848 T N 6.097 120.642 114.554 -0.015 0.000 2.728 848 T HA 0.195 4.545 4.350 -0.000 0.000 0.296 848 T C 1.229 175.853 174.700 -0.127 0.000 0.940 848 T CA -0.573 61.511 62.100 -0.028 0.000 1.013 848 T CB 0.606 69.481 68.868 0.012 0.000 0.912 848 T HN 0.535 nan 8.240 nan 0.000 0.484 849 L N 2.255 123.285 121.223 -0.322 0.000 2.071 849 L HA 0.261 4.601 4.340 -0.000 0.000 0.201 849 L C 0.173 176.580 176.870 -0.771 0.000 1.076 849 L CA 1.056 55.422 54.840 -0.791 0.000 0.755 849 L CB -0.170 40.847 42.059 -1.737 0.000 0.915 849 L HN 0.499 nan 8.230 nan 0.000 0.445 850 F N -1.317 118.575 119.950 -0.097 0.000 2.679 850 F HA 0.667 5.194 4.527 -0.000 0.000 0.341 850 F C -0.357 175.512 175.800 0.114 0.000 1.095 850 F CA -1.138 56.774 58.000 -0.148 0.000 1.004 850 F CB 1.340 39.930 39.000 -0.683 0.000 1.388 850 F HN -0.320 nan 8.300 nan 0.000 0.505 851 I N 0.865 121.653 120.570 0.363 0.000 2.611 851 I HA 0.208 4.378 4.170 -0.000 0.000 0.287 851 I C -1.181 175.177 176.117 0.402 0.000 1.184 851 I CA -0.345 61.181 61.300 0.378 0.000 1.054 851 I CB 2.074 40.216 38.000 0.236 0.000 1.257 851 I HN 0.552 nan 8.210 nan 0.000 0.435 852 S N 6.530 122.572 115.700 0.570 0.000 2.437 852 S HA 0.575 5.045 4.470 -0.000 0.000 0.305 852 S C -0.540 174.296 174.600 0.395 0.000 1.109 852 S CA -0.555 57.951 58.200 0.511 0.000 1.099 852 S CB 0.794 64.426 63.200 0.719 0.000 1.004 852 S HN 0.541 nan 8.310 nan 0.000 0.475 853 R N 3.708 124.373 120.500 0.275 0.000 2.360 853 R HA 0.454 4.794 4.340 -0.000 0.000 0.318 853 R C -0.539 175.844 176.300 0.138 0.000 0.950 853 R CA -0.611 55.611 56.100 0.203 0.000 0.837 853 R CB 1.564 31.955 30.300 0.151 0.000 1.165 853 R HN 0.622 nan 8.270 nan 0.000 0.458 854 K N 0.482 120.961 120.400 0.132 0.000 2.331 854 K HA 0.571 4.891 4.320 -0.000 0.000 0.238 854 K C -0.531 176.047 176.600 -0.038 0.000 1.058 854 K CA -0.977 55.298 56.287 -0.019 0.000 0.871 854 K CB 1.968 34.374 32.500 -0.157 0.000 1.292 854 K HN 0.488 nan 8.250 nan 0.000 0.470 855 T N -1.079 113.350 114.554 -0.208 0.000 3.293 855 T HA 0.417 4.767 4.350 -0.000 0.000 0.320 855 T C -1.382 173.194 174.700 -0.207 0.000 0.995 855 T CA -0.802 61.236 62.100 -0.103 0.000 1.041 855 T CB 0.031 68.875 68.868 -0.040 0.000 1.058 855 T HN 0.389 nan 8.240 nan 0.000 0.453 856 Y N 1.805 122.081 120.300 -0.040 0.000 2.403 856 Y HA 0.812 5.362 4.550 -0.000 0.000 0.323 856 Y C 0.900 176.744 175.900 -0.093 0.000 1.226 856 Y CA -1.390 56.693 58.100 -0.029 0.000 1.235 856 Y CB 1.409 39.890 38.460 0.035 0.000 1.248 856 Y HN 0.874 nan 8.280 nan 0.000 0.489 857 R N 2.300 122.836 120.500 0.060 0.000 2.867 857 R HA 0.477 4.817 4.340 -0.000 0.000 0.288 857 R C -2.412 173.833 176.300 -0.092 0.000 1.360 857 R CA -0.198 55.883 56.100 -0.032 0.000 1.042 857 R CB 0.289 30.576 30.300 -0.022 0.000 1.287 857 R HN 0.807 nan 8.270 nan 0.000 0.404 858 I N 4.213 124.680 120.570 -0.172 0.000 2.437 858 I HA 0.387 4.557 4.170 -0.000 0.000 0.298 858 I C -0.105 175.931 176.117 -0.135 0.000 0.984 858 I CA -0.410 60.733 61.300 -0.262 0.000 1.214 858 I CB 1.583 39.282 38.000 -0.502 0.000 1.365 858 I HN 0.687 nan 8.210 nan 0.000 0.469 859 D N 3.317 123.665 120.400 -0.087 0.000 2.801 859 D HA 0.327 4.967 4.640 -0.000 0.000 0.277 859 D C 1.098 177.407 176.300 0.015 0.000 1.125 859 D CA -0.448 53.537 54.000 -0.024 0.000 1.102 859 D CB 0.094 40.886 40.800 -0.013 0.000 1.400 859 D HN 0.472 nan 8.370 nan 0.000 0.601 860 G N -0.052 108.762 108.800 0.024 0.000 2.649 860 G HA2 -0.362 3.598 3.960 -0.000 0.000 0.220 860 G HA3 -0.362 3.598 3.960 -0.000 0.000 0.220 860 G C 1.346 176.287 174.900 0.068 0.000 1.189 860 G CA 2.452 47.579 45.100 0.046 0.000 0.777 860 G HN 0.545 nan 8.290 nan 0.000 0.602 861 S N 0.274 116.007 115.700 0.056 0.000 2.402 861 S HA 0.081 4.551 4.470 -0.000 0.000 0.233 861 S C 2.137 176.790 174.600 0.089 0.000 1.030 861 S CA 1.763 60.003 58.200 0.067 0.000 1.003 861 S CB -0.549 62.682 63.200 0.051 0.000 0.813 861 S HN 1.855 nan 8.310 nan 0.000 0.477 862 G N 0.374 109.230 108.800 0.093 0.000 2.175 862 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.244 862 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.244 862 G C -0.225 174.757 174.900 0.138 0.000 0.982 862 G CA -0.119 45.090 45.100 0.180 0.000 0.641 862 G HN 0.535 nan 8.290 nan 0.000 0.527 863 Q N -0.114 119.717 119.800 0.052 0.000 2.274 863 Q HA 0.593 4.933 4.340 -0.000 0.000 0.256 863 Q C 0.288 176.266 176.000 -0.037 0.000 0.927 863 Q CA -0.232 55.598 55.803 0.044 0.000 0.939 863 Q CB 1.396 30.166 28.738 0.054 0.000 1.201 863 Q HN 0.446 nan 8.270 nan 0.000 0.426 864 M N 2.760 122.345 119.600 -0.025 0.000 2.080 864 M HA 0.438 4.918 4.480 -0.000 0.000 0.350 864 M C -1.005 175.336 176.300 0.068 0.000 1.143 864 M CA -0.447 54.811 55.300 -0.070 0.000 1.064 864 M CB 0.531 33.040 32.600 -0.150 0.000 1.429 864 M HN 0.683 nan 8.290 nan 0.000 0.418 865 A N 6.445 129.286 122.820 0.036 0.000 2.401 865 A HA 0.628 4.948 4.320 -0.000 0.000 0.259 865 A C -0.533 177.065 177.584 0.022 0.000 1.103 865 A CA -0.397 51.668 52.037 0.047 0.000 0.789 865 A CB 0.164 19.180 19.000 0.027 0.000 1.035 865 A HN 0.919 nan 8.150 nan 0.000 0.491 866 I N 1.351 121.915 120.570 -0.011 0.000 2.474 866 I HA 0.387 4.557 4.170 -0.000 0.000 0.294 866 I C -0.185 175.806 176.117 -0.210 0.000 1.005 866 I CA -0.329 60.879 61.300 -0.154 0.000 1.113 866 I CB 2.393 40.319 38.000 -0.122 0.000 1.289 866 I HN 0.491 nan 8.210 nan 0.000 0.436 867 T N 5.157 119.544 114.554 -0.279 0.000 2.864 867 T HA 0.448 4.798 4.350 -0.000 0.000 0.299 867 T C -0.420 174.100 174.700 -0.300 0.000 1.011 867 T CA -0.363 61.597 62.100 -0.233 0.000 0.975 867 T CB 1.256 70.078 68.868 -0.077 0.000 0.962 867 T HN 0.225 nan 8.240 nan 0.000 0.448 868 V N 3.632 123.253 119.914 -0.487 0.000 2.483 868 V HA 0.592 4.712 4.120 -0.000 0.000 0.295 868 V C -0.253 175.735 176.094 -0.177 0.000 1.035 868 V CA -0.832 61.211 62.300 -0.428 0.000 0.896 868 V CB 1.879 33.162 31.823 -0.900 0.000 0.986 868 V HN 0.769 nan 8.190 nan 0.000 0.447 869 D N 2.663 123.103 120.400 0.067 0.000 2.476 869 D HA 0.435 5.075 4.640 -0.000 0.000 0.251 869 D C -0.947 175.496 176.300 0.239 0.000 1.291 869 D CA -0.020 54.108 54.000 0.215 0.000 0.939 869 D CB 2.449 43.387 40.800 0.230 0.000 1.221 869 D HN 0.296 nan 8.370 nan 0.000 0.567 870 V N 1.858 121.946 119.914 0.291 0.000 2.713 870 V HA 0.456 4.576 4.120 -0.000 0.000 0.307 870 V C 0.344 176.567 176.094 0.214 0.000 1.052 870 V CA -0.612 61.848 62.300 0.266 0.000 0.967 870 V CB 2.420 34.414 31.823 0.286 0.000 1.019 870 V HN 0.363 nan 8.190 nan 0.000 0.459 871 E N 1.016 121.326 120.200 0.182 0.000 2.288 871 E HA 0.730 5.080 4.350 -0.000 0.000 0.268 871 E C -1.808 174.891 176.600 0.164 0.000 0.885 871 E CA -0.572 55.918 56.400 0.151 0.000 0.767 871 E CB 2.635 32.414 29.700 0.132 0.000 1.220 871 E HN 0.453 nan 8.360 nan 0.000 0.427 872 V N 1.112 121.123 119.914 0.161 0.000 2.709 872 V HA 0.486 4.606 4.120 -0.000 0.000 0.308 872 V C -0.374 175.805 176.094 0.142 0.000 1.062 872 V CA -1.101 61.321 62.300 0.204 0.000 0.901 872 V CB 1.769 33.746 31.823 0.256 0.000 1.003 872 V HN 0.826 nan 8.190 nan 0.000 0.425 873 A N 2.553 125.433 122.820 0.101 0.000 2.473 873 A HA 0.348 4.668 4.320 -0.000 0.000 0.282 873 A C 1.673 179.329 177.584 0.120 0.000 1.163 873 A CA 0.528 52.607 52.037 0.070 0.000 0.827 873 A CB -0.052 18.953 19.000 0.009 0.000 1.098 873 A HN 1.540 nan 8.150 nan 0.000 0.515 874 S N 2.050 117.818 115.700 0.113 0.000 2.448 874 S HA -0.223 4.247 4.470 -0.000 0.000 0.247 874 S C 0.787 175.476 174.600 0.148 0.000 1.033 874 S CA 1.750 60.031 58.200 0.135 0.000 1.003 874 S CB -0.397 62.858 63.200 0.092 0.000 0.786 874 S HN 0.791 nan 8.310 nan 0.000 0.495 875 D N -0.304 120.163 120.400 0.112 0.000 2.615 875 D HA 0.204 4.843 4.640 -0.000 0.000 0.236 875 D C -0.126 176.238 176.300 0.106 0.000 1.233 875 D CA -0.210 53.844 54.000 0.091 0.000 0.829 875 D CB -0.038 40.796 40.800 0.057 0.000 1.024 875 D HN 0.226 nan 8.370 nan 0.000 0.490 876 T N 1.466 116.122 114.554 0.170 0.000 2.792 876 T HA 0.391 4.741 4.350 -0.000 0.000 0.280 876 T C -2.749 172.144 174.700 0.322 0.000 0.990 876 T CA -1.949 60.293 62.100 0.237 0.000 0.960 876 T CB 1.403 70.407 68.868 0.226 0.000 0.939 876 T HN -0.191 nan 8.240 nan 0.000 0.439 877 P HA -0.049 nan 4.420 nan 0.000 0.259 877 P C -0.330 177.296 177.300 0.543 0.000 1.155 877 P CA 0.163 63.401 63.100 0.230 0.000 0.759 877 P CB 0.066 31.866 31.700 0.167 0.000 0.753 878 H N 3.985 123.412 119.070 0.595 0.000 3.140 878 H HA -0.008 4.548 4.556 -0.000 0.000 0.316 878 H C -1.845 173.815 175.328 0.553 0.000 0.986 878 H CA -1.318 55.014 56.048 0.473 0.000 1.397 878 H CB -1.038 28.934 29.762 0.350 0.000 1.377 878 H HN 0.320 nan 8.280 nan 0.000 0.585 879 P HA 0.078 nan 4.420 nan 0.000 0.276 879 P C 0.474 177.701 177.300 -0.122 0.000 1.230 879 P CA -0.205 62.997 63.100 0.171 0.000 0.776 879 P CB 0.889 32.562 31.700 -0.045 0.000 0.888 880 A N 4.721 127.223 122.820 -0.529 0.000 1.927 880 A HA -0.180 4.140 4.320 -0.000 0.000 0.220 880 A C 1.080 178.343 177.584 -0.534 0.000 1.185 880 A CA 1.681 53.373 52.037 -0.576 0.000 0.639 880 A CB -0.616 17.769 19.000 -1.025 0.000 0.820 880 A HN 0.772 nan 8.150 nan 0.000 0.451 881 R N -3.289 116.884 120.500 -0.545 0.000 2.728 881 R HA 0.745 5.085 4.340 -0.000 0.000 0.274 881 R C -1.765 174.268 176.300 -0.445 0.000 1.030 881 R CA -0.844 54.911 56.100 -0.575 0.000 0.876 881 R CB 0.734 30.568 30.300 -0.776 0.000 1.259 881 R HN 0.047 nan 8.270 nan 0.000 0.468 882 I N 1.105 121.425 120.570 -0.417 0.000 2.560 882 I HA 0.611 4.781 4.170 -0.000 0.000 0.278 882 I C -0.559 175.302 176.117 -0.427 0.000 1.089 882 I CA -0.277 60.815 61.300 -0.346 0.000 1.086 882 I CB 1.851 39.680 38.000 -0.285 0.000 1.202 882 I HN 0.995 nan 8.210 nan 0.000 0.471 883 G N 5.468 113.987 108.800 -0.469 0.000 2.490 883 G HA2 0.634 4.594 3.960 -0.000 0.000 0.308 883 G HA3 0.634 4.594 3.960 -0.000 0.000 0.308 883 G C -1.852 172.872 174.900 -0.295 0.000 1.286 883 G CA -0.655 44.232 45.100 -0.355 0.000 0.825 883 G HN 0.236 nan 8.290 nan 0.000 0.479 884 L N 1.167 122.281 121.223 -0.183 0.000 2.330 884 L HA 0.643 4.983 4.340 -0.000 0.000 0.271 884 L C -0.230 176.515 176.870 -0.207 0.000 1.013 884 L CA -1.045 53.689 54.840 -0.177 0.000 0.816 884 L CB 2.155 44.169 42.059 -0.074 0.000 1.287 884 L HN 0.769 nan 8.230 nan 0.000 0.435 885 N N 1.061 119.659 118.700 -0.171 0.000 2.329 885 N HA 0.675 5.415 4.740 -0.000 0.000 0.282 885 N C -1.441 174.060 175.510 -0.015 0.000 1.198 885 N CA -0.457 52.533 53.050 -0.099 0.000 0.790 885 N CB 2.679 41.111 38.487 -0.091 0.000 1.579 885 N HN 0.845 nan 8.380 nan 0.000 0.475 886 C N -0.129 119.205 119.300 0.055 0.000 3.312 886 C HA 0.502 4.962 4.460 -0.000 0.000 0.332 886 C C -1.210 173.684 174.990 -0.160 0.000 1.340 886 C CA -0.759 58.258 59.018 -0.001 0.000 1.265 886 C CB 1.123 28.857 27.740 -0.010 0.000 1.563 886 C HN 0.835 nan 8.230 nan 0.000 0.471 887 Q N 1.909 121.403 119.800 -0.509 0.000 2.508 887 Q HA 0.552 4.892 4.340 -0.000 0.000 0.247 887 Q C -0.682 175.030 176.000 -0.481 0.000 1.047 887 Q CA -0.397 54.842 55.803 -0.940 0.000 0.783 887 Q CB 0.556 28.191 28.738 -1.839 0.000 1.172 887 Q HN 0.786 nan 8.270 nan 0.000 0.515 888 L N 1.494 122.552 121.223 -0.275 0.000 2.499 888 L HA 0.059 4.399 4.340 -0.000 0.000 0.281 888 L C 1.111 177.893 176.870 -0.147 0.000 1.234 888 L CA 0.235 55.005 54.840 -0.118 0.000 0.839 888 L CB 0.331 42.408 42.059 0.030 0.000 1.104 888 L HN 0.692 nan 8.230 nan 0.000 0.500 889 A N 1.410 124.176 122.820 -0.090 0.000 2.267 889 A HA 0.058 4.378 4.320 -0.000 0.000 0.213 889 A C 0.749 178.312 177.584 -0.035 0.000 1.192 889 A CA 0.001 51.981 52.037 -0.095 0.000 0.851 889 A CB -0.021 18.908 19.000 -0.118 0.000 0.881 889 A HN 0.793 nan 8.150 nan 0.000 0.494 890 Q N -0.158 119.659 119.800 0.027 0.000 2.260 890 Q HA 0.515 4.855 4.340 -0.000 0.000 0.242 890 Q C -1.357 174.691 176.000 0.079 0.000 0.932 890 Q CA -0.098 55.730 55.803 0.042 0.000 0.891 890 Q CB 1.273 30.058 28.738 0.078 0.000 1.222 890 Q HN 0.064 nan 8.270 nan 0.000 0.453 891 V N 3.212 123.142 119.914 0.026 0.000 2.445 891 V HA 0.635 4.755 4.120 -0.000 0.000 0.283 891 V C -0.706 175.376 176.094 -0.020 0.000 1.014 891 V CA -0.341 62.004 62.300 0.074 0.000 0.852 891 V CB 0.954 32.800 31.823 0.039 0.000 1.021 891 V HN 0.909 nan 8.190 nan 0.000 0.435 892 A N 3.371 126.106 122.820 -0.141 0.000 2.269 892 A HA 0.772 5.092 4.320 -0.000 0.000 0.319 892 A C 0.864 178.451 177.584 0.004 0.000 1.110 892 A CA -0.362 51.521 52.037 -0.257 0.000 0.847 892 A CB 0.860 19.378 19.000 -0.804 0.000 1.161 892 A HN 0.643 nan 8.150 nan 0.000 0.497 893 E N 0.246 120.447 120.200 0.001 0.000 2.230 893 E HA 0.018 4.368 4.350 -0.000 0.000 0.192 893 E C 0.329 177.003 176.600 0.123 0.000 0.987 893 E CA 0.877 57.315 56.400 0.063 0.000 0.841 893 E CB 0.151 29.869 29.700 0.029 0.000 0.783 893 E HN 0.529 nan 8.360 nan 0.000 0.481 894 R N -0.227 120.355 120.500 0.137 0.000 2.888 894 R HA 0.581 4.921 4.340 -0.000 0.000 0.266 894 R C -0.796 175.708 176.300 0.339 0.000 1.020 894 R CA -0.790 55.430 56.100 0.199 0.000 0.963 894 R CB 2.378 32.757 30.300 0.132 0.000 1.197 894 R HN -0.208 nan 8.270 nan 0.000 0.481 895 V N 1.648 121.777 119.914 0.359 0.000 2.540 895 V HA 0.381 4.501 4.120 -0.000 0.000 0.302 895 V C -0.464 175.906 176.094 0.460 0.000 1.035 895 V CA -0.938 61.630 62.300 0.446 0.000 0.873 895 V CB 1.862 33.932 31.823 0.412 0.000 0.992 895 V HN 0.684 nan 8.190 nan 0.000 0.428 896 N N 3.940 122.889 118.700 0.415 0.000 2.410 896 N HA 0.473 5.213 4.740 -0.000 0.000 0.287 896 N C -1.274 174.453 175.510 0.363 0.000 1.044 896 N CA -0.463 52.757 53.050 0.284 0.000 0.881 896 N CB 2.562 41.122 38.487 0.121 0.000 1.405 896 N HN 0.818 nan 8.380 nan 0.000 0.490 897 W N 3.283 124.638 121.300 0.092 0.000 3.040 897 W HA 0.695 5.355 4.660 -0.000 0.000 0.344 897 W C -1.771 174.740 176.519 -0.012 0.000 1.201 897 W CA -1.123 56.256 57.345 0.057 0.000 1.119 897 W CB 0.857 30.384 29.460 0.111 0.000 1.478 897 W HN 0.240 nan 8.180 nan 0.000 0.586 898 L N 2.997 124.267 121.223 0.079 0.000 2.462 898 L HA 0.847 5.187 4.340 -0.000 0.000 0.255 898 L C -0.289 176.488 176.870 -0.154 0.000 1.076 898 L CA 0.276 54.980 54.840 -0.226 0.000 0.920 898 L CB 0.783 42.730 42.059 -0.187 0.000 1.214 898 L HN 0.993 nan 8.230 nan 0.000 0.472 899 G N 2.790 111.502 108.800 -0.145 0.000 2.604 899 G HA2 0.269 4.229 3.960 -0.000 0.000 0.242 899 G HA3 0.269 4.229 3.960 -0.000 0.000 0.242 899 G C -1.418 173.580 174.900 0.163 0.000 1.208 899 G CA -0.951 44.161 45.100 0.020 0.000 0.912 899 G HN 0.235 nan 8.290 nan 0.000 0.502 900 L N 1.872 123.261 121.223 0.277 0.000 2.385 900 L HA 0.555 4.895 4.340 -0.000 0.000 0.281 900 L C 0.919 177.834 176.870 0.074 0.000 1.106 900 L CA 0.302 55.241 54.840 0.166 0.000 0.856 900 L CB 0.155 42.255 42.059 0.069 0.000 1.186 900 L HN 0.807 nan 8.230 nan 0.000 0.453 901 G N 3.669 112.299 108.800 -0.284 0.000 2.870 901 G HA2 0.478 4.438 3.960 -0.000 0.000 0.299 901 G HA3 0.478 4.438 3.960 -0.000 0.000 0.299 901 G C -2.728 171.387 174.900 -1.308 0.000 1.324 901 G CA -0.445 44.118 45.100 -0.893 0.000 0.808 901 G HN 0.214 nan 8.290 nan 0.000 0.535 902 P HA 0.150 nan 4.420 nan 0.000 0.224 902 P C 0.739 177.840 177.300 -0.331 0.000 1.159 902 P CA 0.470 63.024 63.100 -0.910 0.000 0.824 902 P CB 0.368 31.662 31.700 -0.677 0.000 0.833 903 Q N 0.294 119.882 119.800 -0.354 0.000 2.492 903 Q HA 0.021 4.361 4.340 -0.000 0.000 0.238 903 Q C 0.579 176.449 176.000 -0.215 0.000 1.045 903 Q CA 0.038 55.708 55.803 -0.221 0.000 0.934 903 Q CB 0.252 28.882 28.738 -0.179 0.000 1.276 903 Q HN 0.122 nan 8.270 nan 0.000 0.521 904 E N 1.043 121.136 120.200 -0.179 0.000 2.467 904 E HA -0.107 4.243 4.350 -0.000 0.000 0.264 904 E C -1.112 175.415 176.600 -0.121 0.000 1.020 904 E CA 0.291 56.587 56.400 -0.174 0.000 0.945 904 E CB 0.341 30.002 29.700 -0.065 0.000 0.942 904 E HN 0.628 nan 8.360 nan 0.000 0.449 905 N N 1.908 120.496 118.700 -0.187 0.000 2.446 905 N HA 0.284 5.024 4.740 -0.000 0.000 0.272 905 N C -1.951 173.395 175.510 -0.274 0.000 1.127 905 N CA -0.650 52.338 53.050 -0.104 0.000 0.896 905 N CB 0.646 39.052 38.487 -0.135 0.000 1.658 905 N HN 0.251 nan 8.380 nan 0.000 0.483 906 Y N -0.055 120.126 120.300 -0.198 0.000 2.659 906 Y HA 0.568 5.118 4.550 -0.000 0.000 0.333 906 Y C -1.678 174.131 175.900 -0.153 0.000 1.064 906 Y CA -2.197 55.770 58.100 -0.221 0.000 1.141 906 Y CB 1.400 39.708 38.460 -0.254 0.000 1.316 906 Y HN 0.425 nan 8.280 nan 0.000 0.509 907 P HA -0.093 nan 4.420 nan 0.000 0.217 907 P C 0.279 177.489 177.300 -0.151 0.000 1.151 907 P CA 1.737 64.878 63.100 0.069 0.000 0.828 907 P CB 0.212 32.051 31.700 0.232 0.000 0.788 908 D N -1.475 118.671 120.400 -0.424 0.000 2.395 908 D HA 0.023 4.663 4.640 -0.000 0.000 0.226 908 D C 0.471 176.600 176.300 -0.285 0.000 1.146 908 D CA -0.077 53.434 54.000 -0.815 0.000 0.830 908 D CB -0.279 39.818 40.800 -1.171 0.000 0.958 908 D HN 0.092 nan 8.370 nan 0.000 0.501 909 R N 0.897 121.330 120.500 -0.112 0.000 2.734 909 R HA 0.187 4.527 4.340 -0.000 0.000 0.242 909 R C -0.901 175.416 176.300 0.028 0.000 1.617 909 R CA -0.203 55.888 56.100 -0.016 0.000 1.572 909 R CB 0.055 30.343 30.300 -0.020 0.000 1.477 909 R HN 0.116 nan 8.270 nan 0.000 0.707 910 L N -1.378 119.875 121.223 0.050 0.000 3.573 910 L HA 0.310 4.650 4.340 -0.000 0.000 0.335 910 L C 1.143 178.060 176.870 0.079 0.000 1.321 910 L CA -0.093 54.776 54.840 0.047 0.000 1.009 910 L CB 0.069 42.137 42.059 0.015 0.000 1.417 910 L HN 0.115 nan 8.230 nan 0.000 0.619 911 T N -2.473 112.155 114.554 0.125 0.000 2.746 911 T HA -0.055 4.295 4.350 -0.000 0.000 0.267 911 T C 1.817 176.574 174.700 0.095 0.000 1.039 911 T CA 1.488 63.689 62.100 0.168 0.000 1.142 911 T CB -0.370 68.647 68.868 0.248 0.000 0.866 911 T HN 0.410 nan 8.240 nan 0.000 0.444 912 A N 1.882 124.763 122.820 0.102 0.000 2.067 912 A HA 0.577 4.897 4.320 -0.000 0.000 0.219 912 A C 1.659 179.300 177.584 0.094 0.000 1.158 912 A CA 0.657 52.718 52.037 0.040 0.000 0.661 912 A CB -1.061 18.106 19.000 0.278 0.000 0.801 912 A HN 0.879 nan 8.150 nan 0.000 0.452 913 A N -0.655 122.171 122.820 0.010 0.000 2.450 913 A HA 0.421 4.741 4.320 -0.000 0.000 0.255 913 A C 0.063 177.626 177.584 -0.035 0.000 1.096 913 A CA -0.164 51.829 52.037 -0.073 0.000 0.778 913 A CB -0.362 18.589 19.000 -0.082 0.000 1.031 913 A HN 0.454 nan 8.150 nan 0.000 0.494 914 C N 2.209 121.462 119.300 -0.078 0.000 2.341 914 C HA 0.440 4.900 4.460 -0.000 0.000 0.338 914 C C 0.208 175.298 174.990 0.167 0.000 1.257 914 C CA -0.395 58.647 59.018 0.040 0.000 1.883 914 C CB -0.142 27.626 27.740 0.046 0.000 2.334 914 C HN 0.776 nan 8.230 nan 0.000 0.524 915 F N 4.064 123.894 119.950 -0.200 0.000 2.434 915 F HA 0.430 4.957 4.527 -0.000 0.000 0.358 915 F C 0.206 175.768 175.800 -0.395 0.000 1.136 915 F CA 0.968 58.737 58.000 -0.385 0.000 1.157 915 F CB -0.290 38.017 39.000 -1.155 0.000 1.167 915 F HN 0.659 nan 8.300 nan 0.000 0.539 916 D N 2.952 122.840 120.400 -0.853 0.000 2.970 916 D HA 0.276 4.916 4.640 -0.000 0.000 0.344 916 D C -1.451 173.990 176.300 -1.432 0.000 1.365 916 D CA -0.777 52.538 54.000 -1.142 0.000 0.910 916 D CB 1.122 41.217 40.800 -1.175 0.000 1.445 916 D HN 0.451 nan 8.370 nan 0.000 0.532 917 R N 0.535 120.225 120.500 -1.351 0.000 2.198 917 R HA 0.483 4.822 4.340 -0.000 0.000 0.339 917 R C -1.184 174.315 176.300 -1.335 0.000 1.020 917 R CA -0.405 55.047 56.100 -1.080 0.000 0.864 917 R CB 0.227 30.160 30.300 -0.612 0.000 1.105 917 R HN 0.287 nan 8.270 nan 0.000 0.463 918 W N 2.581 123.326 121.300 -0.925 0.000 2.512 918 W HA 0.364 5.024 4.660 -0.000 0.000 0.335 918 W C -0.462 175.565 176.519 -0.820 0.000 1.088 918 W CA -0.615 56.079 57.345 -1.085 0.000 1.236 918 W CB 1.533 29.833 29.460 -1.933 0.000 1.307 918 W HN 0.471 nan 8.180 nan 0.000 0.567 919 D N 2.528 122.771 120.400 -0.262 0.000 2.736 919 D HA 0.598 5.238 4.640 -0.000 0.000 0.243 919 D C -1.281 175.052 176.300 0.054 0.000 1.304 919 D CA -0.250 53.709 54.000 -0.069 0.000 0.934 919 D CB 0.756 41.521 40.800 -0.058 0.000 1.382 919 D HN 0.321 nan 8.370 nan 0.000 0.571 920 L N 2.110 123.445 121.223 0.188 0.000 2.409 920 L HA 0.727 5.067 4.340 -0.000 0.000 0.255 920 L C -2.507 174.482 176.870 0.198 0.000 1.027 920 L CA -2.517 52.436 54.840 0.187 0.000 0.834 920 L CB 1.788 43.974 42.059 0.210 0.000 1.426 920 L HN 0.135 nan 8.230 nan 0.000 0.411 921 P HA 0.070 nan 4.420 nan 0.000 0.268 921 P C 0.654 178.046 177.300 0.153 0.000 1.205 921 P CA -0.262 62.917 63.100 0.132 0.000 0.771 921 P CB 0.795 32.551 31.700 0.093 0.000 0.858 922 L N 3.477 124.798 121.223 0.164 0.000 2.034 922 L HA -0.314 4.026 4.340 -0.000 0.000 0.217 922 L C 2.240 179.176 176.870 0.110 0.000 1.077 922 L CA 2.295 57.227 54.840 0.155 0.000 0.769 922 L CB -1.307 40.857 42.059 0.176 0.000 0.890 922 L HN 0.307 nan 8.230 nan 0.000 0.435 923 S N -0.456 115.304 115.700 0.099 0.000 2.380 923 S HA -0.218 4.252 4.470 -0.000 0.000 0.229 923 S C 1.177 175.842 174.600 0.108 0.000 1.043 923 S CA 1.635 59.895 58.200 0.100 0.000 1.038 923 S CB -0.613 62.636 63.200 0.081 0.000 0.872 923 S HN 0.600 nan 8.310 nan 0.000 0.456 924 D N 0.701 121.154 120.400 0.088 0.000 2.346 924 D HA 0.072 4.712 4.640 -0.000 0.000 0.248 924 D C 0.552 176.874 176.300 0.036 0.000 1.173 924 D CA 0.348 54.382 54.000 0.058 0.000 0.878 924 D CB -0.067 40.768 40.800 0.059 0.000 0.919 924 D HN 0.433 nan 8.370 nan 0.000 0.513 925 M N -0.331 119.302 119.600 0.056 0.000 2.496 925 M HA 0.122 4.602 4.480 -0.000 0.000 0.330 925 M C -0.460 175.857 176.300 0.028 0.000 1.133 925 M CA -0.405 54.887 55.300 -0.013 0.000 0.964 925 M CB 0.413 32.994 32.600 -0.031 0.000 1.401 925 M HN -0.077 nan 8.290 nan 0.000 0.520 926 Y N 0.610 120.871 120.300 -0.065 0.000 2.376 926 Y HA 0.478 5.028 4.550 -0.000 0.000 0.340 926 Y C -0.785 175.044 175.900 -0.118 0.000 0.965 926 Y CA -0.580 57.489 58.100 -0.051 0.000 1.078 926 Y CB 1.513 39.999 38.460 0.043 0.000 1.193 926 Y HN -0.095 nan 8.280 nan 0.000 0.452 927 T N 9.143 123.156 114.554 -0.902 0.000 2.853 927 T HA 0.248 4.598 4.350 -0.000 0.000 0.317 927 T C -2.603 171.240 174.700 -1.428 0.000 1.059 927 T CA -1.461 60.033 62.100 -1.010 0.000 0.954 927 T CB 0.719 69.049 68.868 -0.897 0.000 0.994 927 T HN 0.442 nan 8.240 nan 0.000 0.479 928 P HA 0.034 nan 4.420 nan 0.000 0.237 928 P C -0.519 176.570 177.300 -0.353 0.000 1.701 928 P CA -0.328 62.339 63.100 -0.722 0.000 0.955 928 P CB -0.710 30.749 31.700 -0.402 0.000 1.937 929 Y N -0.421 119.782 120.300 -0.162 0.000 2.578 929 Y HA -0.086 4.464 4.550 -0.000 0.000 0.339 929 Y C 2.253 178.200 175.900 0.079 0.000 1.231 929 Y CA -0.068 58.034 58.100 0.003 0.000 1.461 929 Y CB 0.043 38.458 38.460 -0.076 0.000 1.323 929 Y HN -0.121 nan 8.280 nan 0.000 0.590 930 V N 2.997 123.127 119.914 0.359 0.000 2.255 930 V HA -0.285 3.835 4.120 -0.000 0.000 0.247 930 V C 0.605 176.880 176.094 0.301 0.000 1.051 930 V CA 1.570 64.052 62.300 0.303 0.000 1.018 930 V CB -0.535 31.497 31.823 0.349 0.000 0.641 930 V HN 0.612 nan 8.190 nan 0.000 0.445 931 F N 3.505 123.497 119.950 0.071 0.000 2.390 931 F HA 0.520 5.047 4.527 -0.000 0.000 0.361 931 F C -2.405 173.390 175.800 -0.008 0.000 1.124 931 F CA -3.688 54.302 58.000 -0.017 0.000 1.149 931 F CB 0.569 39.447 39.000 -0.202 0.000 1.160 931 F HN 0.021 nan 8.300 nan 0.000 0.501 932 P HA 0.289 nan 4.420 nan 0.000 0.271 932 P C -1.057 176.045 177.300 -0.331 0.000 1.216 932 P CA 0.014 62.971 63.100 -0.239 0.000 0.776 932 P CB 1.287 32.843 31.700 -0.239 0.000 0.881 933 S N -0.164 115.484 115.700 -0.087 0.000 2.683 933 S HA 0.426 4.896 4.470 -0.000 0.000 0.269 933 S C -0.718 173.891 174.600 0.015 0.000 1.165 933 S CA -0.964 57.203 58.200 -0.055 0.000 0.840 933 S CB 0.388 63.592 63.200 0.007 0.000 1.169 933 S HN 0.378 nan 8.310 nan 0.000 0.490 934 E N 1.141 121.353 120.200 0.020 0.000 2.492 934 E HA 0.363 4.713 4.350 -0.000 0.000 0.266 934 E C -0.144 176.519 176.600 0.104 0.000 1.047 934 E CA 1.080 57.515 56.400 0.057 0.000 0.968 934 E CB -0.116 29.637 29.700 0.089 0.000 0.960 934 E HN 0.937 nan 8.360 nan 0.000 0.452 935 N N 0.726 119.512 118.700 0.142 0.000 4.310 935 N HA 0.405 5.145 4.740 -0.000 0.000 0.212 935 N C 0.186 175.732 175.510 0.061 0.000 1.277 935 N CA -0.375 52.790 53.050 0.192 0.000 0.854 935 N CB 0.540 39.119 38.487 0.155 0.000 1.480 935 N HN 0.846 nan 8.380 nan 0.000 0.489 936 G N -1.099 107.700 108.800 -0.002 0.000 2.259 936 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.217 936 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.217 936 G C -0.057 174.582 174.900 -0.434 0.000 1.001 936 G CA -0.083 44.901 45.100 -0.194 0.000 0.627 936 G HN 0.766 nan 8.290 nan 0.000 0.501 937 L N 1.467 122.371 121.223 -0.532 0.000 2.587 937 L HA 0.261 4.601 4.340 -0.000 0.000 0.315 937 L C 0.959 177.277 176.870 -0.920 0.000 1.288 937 L CA 1.168 55.474 54.840 -0.890 0.000 0.849 937 L CB 0.278 41.531 42.059 -1.343 0.000 1.080 937 L HN 0.471 nan 8.230 nan 0.000 0.541 938 R N 2.354 122.221 120.500 -1.055 0.000 2.604 938 R HA 0.491 4.831 4.340 -0.000 0.000 0.281 938 R C -1.297 174.643 176.300 -0.600 0.000 1.020 938 R CA -0.741 54.849 56.100 -0.849 0.000 0.899 938 R CB 0.991 30.685 30.300 -1.010 0.000 1.205 938 R HN 0.539 nan 8.270 nan 0.000 0.450 939 C N -0.357 118.736 119.300 -0.345 0.000 2.423 939 C HA 0.682 5.142 4.460 -0.000 0.000 0.378 939 C C 1.309 176.244 174.990 -0.091 0.000 1.244 939 C CA 0.312 59.198 59.018 -0.220 0.000 1.978 939 C CB 1.267 28.910 27.740 -0.161 0.000 2.252 939 C HN 1.076 nan 8.230 nan 0.000 0.526 940 G N 2.044 110.804 108.800 -0.067 0.000 2.356 940 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.296 940 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.296 940 G C -0.075 174.848 174.900 0.039 0.000 1.022 940 G CA 0.559 45.672 45.100 0.021 0.000 0.961 940 G HN 0.815 nan 8.290 nan 0.000 0.510 941 T N 0.186 114.604 114.554 -0.226 0.000 2.771 941 T HA 0.493 4.843 4.350 -0.000 0.000 0.291 941 T C 1.303 175.712 174.700 -0.486 0.000 0.954 941 T CA -0.497 61.385 62.100 -0.364 0.000 1.045 941 T CB 1.514 70.099 68.868 -0.473 0.000 0.917 941 T HN 0.225 nan 8.240 nan 0.000 0.484 942 R N 1.576 122.034 120.500 -0.072 0.000 2.335 942 R HA 0.254 4.594 4.340 -0.000 0.000 0.210 942 R C 0.309 176.728 176.300 0.198 0.000 0.892 942 R CA 0.169 56.329 56.100 0.099 0.000 1.048 942 R CB 0.512 30.960 30.300 0.248 0.000 1.067 942 R HN 0.756 nan 8.270 nan 0.000 0.524 943 E N 0.701 121.014 120.200 0.188 0.000 2.879 943 E HA 0.058 4.408 4.350 -0.000 0.000 0.345 943 E C -1.951 174.810 176.600 0.267 0.000 0.955 943 E CA -0.324 56.241 56.400 0.274 0.000 0.801 943 E CB 0.749 30.565 29.700 0.193 0.000 1.324 943 E HN -0.064 nan 8.360 nan 0.000 0.417 944 L N 3.894 125.323 121.223 0.342 0.000 2.331 944 L HA 0.703 5.043 4.340 -0.000 0.000 0.275 944 L C -1.488 175.575 176.870 0.322 0.000 1.022 944 L CA -0.318 54.655 54.840 0.221 0.000 0.812 944 L CB 1.579 43.626 42.059 -0.021 0.000 1.257 944 L HN 0.485 nan 8.230 nan 0.000 0.435 945 N N 3.898 122.775 118.700 0.295 0.000 2.397 945 N HA 0.340 5.080 4.740 -0.000 0.000 0.291 945 N C -2.079 173.670 175.510 0.399 0.000 1.065 945 N CA -0.208 53.024 53.050 0.303 0.000 0.884 945 N CB 1.918 40.519 38.487 0.190 0.000 1.551 945 N HN 0.651 nan 8.380 nan 0.000 0.487 946 Y N 1.524 121.981 120.300 0.262 0.000 2.294 946 Y HA 0.448 4.998 4.550 -0.000 0.000 0.329 946 Y C 0.496 176.538 175.900 0.236 0.000 1.135 946 Y CA 0.318 58.562 58.100 0.241 0.000 1.213 946 Y CB 0.216 38.839 38.460 0.270 0.000 1.141 946 Y HN 0.871 nan 8.280 nan 0.000 0.446 947 G N 5.951 114.677 108.800 -0.122 0.000 2.509 947 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.256 947 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.256 947 G C -1.857 172.999 174.900 -0.073 0.000 1.152 947 G CA -0.066 44.944 45.100 -0.150 0.000 0.951 947 G HN 0.486 nan 8.290 nan 0.000 0.559 948 P HA 0.144 nan 4.420 nan 0.000 0.231 948 P C 0.565 177.618 177.300 -0.411 0.000 1.168 948 P CA 1.281 64.202 63.100 -0.298 0.000 0.779 948 P CB -0.116 31.328 31.700 -0.426 0.000 0.844 949 H N -0.145 118.900 119.070 -0.041 0.000 2.509 949 H HA 0.540 5.096 4.556 -0.000 0.000 0.359 949 H C 0.532 175.697 175.328 -0.271 0.000 1.253 949 H CA -0.292 55.643 56.048 -0.188 0.000 1.373 949 H CB 0.431 29.919 29.762 -0.456 0.000 1.555 949 H HN -0.041 nan 8.280 nan 0.000 0.586 950 Q N 1.142 120.733 119.800 -0.349 0.000 2.364 950 Q HA 0.197 4.537 4.340 -0.000 0.000 0.251 950 Q C -2.118 173.706 176.000 -0.293 0.000 0.927 950 Q CA -0.698 54.992 55.803 -0.188 0.000 0.924 950 Q CB 1.384 30.121 28.738 -0.002 0.000 1.419 950 Q HN 0.618 nan 8.270 nan 0.000 0.427 951 W N 3.604 124.888 121.300 -0.027 0.000 2.606 951 W HA 0.649 5.309 4.660 -0.000 0.000 0.332 951 W C -0.051 176.523 176.519 0.091 0.000 1.052 951 W CA -0.857 56.428 57.345 -0.100 0.000 1.223 951 W CB 2.081 31.304 29.460 -0.396 0.000 1.383 951 W HN 0.540 nan 8.180 nan 0.000 0.524 952 R N 0.846 121.542 120.500 0.326 0.000 2.574 952 R HA 0.652 4.992 4.340 -0.000 0.000 0.288 952 R C 0.011 176.529 176.300 0.363 0.000 1.004 952 R CA -0.425 55.886 56.100 0.351 0.000 0.895 952 R CB 2.267 32.703 30.300 0.227 0.000 1.191 952 R HN 0.802 nan 8.270 nan 0.000 0.444 953 G N 1.103 110.183 108.800 0.467 0.000 2.512 953 G HA2 -0.011 3.949 3.960 -0.000 0.000 0.181 953 G HA3 -0.011 3.949 3.960 -0.000 0.000 0.181 953 G C -1.781 173.334 174.900 0.359 0.000 1.173 953 G CA -0.386 44.955 45.100 0.402 0.000 0.988 953 G HN 0.439 nan 8.290 nan 0.000 0.485 954 D N 0.440 121.052 120.400 0.354 0.000 2.363 954 D HA 0.594 5.234 4.640 -0.000 0.000 0.258 954 D C -1.032 175.341 176.300 0.123 0.000 1.259 954 D CA -0.232 53.844 54.000 0.126 0.000 0.921 954 D CB 0.634 41.487 40.800 0.089 0.000 1.201 954 D HN 0.481 nan 8.370 nan 0.000 0.524 955 F N -0.130 119.807 119.950 -0.022 0.000 2.745 955 F HA 0.592 5.119 4.527 -0.000 0.000 0.316 955 F C -1.046 174.719 175.800 -0.058 0.000 1.155 955 F CA -1.033 56.904 58.000 -0.105 0.000 0.937 955 F CB 0.702 39.648 39.000 -0.090 0.000 1.361 955 F HN -0.201 nan 8.300 nan 0.000 0.472 956 Q N 1.500 121.351 119.800 0.086 0.000 2.306 956 Q HA 0.749 5.089 4.340 -0.000 0.000 0.269 956 Q C -1.115 175.001 176.000 0.194 0.000 1.053 956 Q CA -0.601 55.183 55.803 -0.032 0.000 0.879 956 Q CB 2.640 31.262 28.738 -0.194 0.000 1.344 956 Q HN 0.934 nan 8.270 nan 0.000 0.464 957 F N -1.742 118.087 119.950 -0.202 0.000 2.799 957 F HA 0.625 5.152 4.527 -0.000 0.000 0.316 957 F C -2.033 173.580 175.800 -0.311 0.000 1.155 957 F CA -1.145 56.730 58.000 -0.209 0.000 0.916 957 F CB 1.031 39.958 39.000 -0.122 0.000 1.294 957 F HN 0.632 nan 8.300 nan 0.000 0.447 958 N N 1.411 119.970 118.700 -0.235 0.000 2.357 958 N HA 0.770 5.510 4.740 -0.000 0.000 0.284 958 N C -2.042 173.444 175.510 -0.040 0.000 1.236 958 N CA -0.811 52.058 53.050 -0.302 0.000 0.774 958 N CB 2.777 41.104 38.487 -0.267 0.000 1.534 958 N HN 1.136 nan 8.380 nan 0.000 0.478 959 I N 0.526 121.055 120.570 -0.068 0.000 2.622 959 I HA 0.529 4.699 4.170 -0.000 0.000 0.283 959 I C -1.270 174.794 176.117 -0.087 0.000 1.202 959 I CA 0.146 61.392 61.300 -0.089 0.000 1.075 959 I CB 0.710 38.626 38.000 -0.140 0.000 1.274 959 I HN 0.983 nan 8.210 nan 0.000 0.450 960 S N 6.354 122.016 115.700 -0.063 0.000 2.998 960 S HA 0.620 5.090 4.470 -0.000 0.000 0.321 960 S C 0.123 174.637 174.600 -0.143 0.000 1.171 960 S CA -0.887 57.264 58.200 -0.083 0.000 0.882 960 S CB 1.877 65.085 63.200 0.012 0.000 1.301 960 S HN 0.580 nan 8.310 nan 0.000 0.629 961 R N -0.212 120.038 120.500 -0.418 0.000 2.468 961 R HA 0.291 4.631 4.340 -0.000 0.000 0.280 961 R C -1.095 174.834 176.300 -0.618 0.000 0.963 961 R CA 0.154 55.960 56.100 -0.489 0.000 1.083 961 R CB -0.297 29.640 30.300 -0.605 0.000 1.200 961 R HN 0.609 nan 8.270 nan 0.000 0.541 962 Y N 0.334 120.614 120.300 -0.034 0.000 2.409 962 Y HA 0.282 4.832 4.550 -0.000 0.000 0.343 962 Y C 0.590 176.249 175.900 -0.403 0.000 0.973 962 Y CA -1.333 56.656 58.100 -0.186 0.000 1.064 962 Y CB 1.530 39.837 38.460 -0.254 0.000 1.207 962 Y HN -0.108 nan 8.280 nan 0.000 0.452 963 S N 0.856 116.257 115.700 -0.498 0.000 2.562 963 S HA 0.139 4.609 4.470 -0.000 0.000 0.275 963 S C 0.801 175.086 174.600 -0.525 0.000 1.281 963 S CA -0.815 56.765 58.200 -1.034 0.000 1.045 963 S CB 1.654 64.160 63.200 -1.156 0.000 0.962 963 S HN 0.723 nan 8.310 nan 0.000 0.503 964 Q N 0.809 120.306 119.800 -0.505 0.000 2.344 964 Q HA -0.215 4.125 4.340 -0.000 0.000 0.212 964 Q C 2.092 177.948 176.000 -0.240 0.000 0.991 964 Q CA 1.929 57.557 55.803 -0.292 0.000 0.897 964 Q CB -0.311 28.274 28.738 -0.254 0.000 0.915 964 Q HN 0.904 nan 8.270 nan 0.000 0.438 965 Q N -0.829 118.799 119.800 -0.287 0.000 2.123 965 Q HA -0.147 4.193 4.340 -0.000 0.000 0.196 965 Q C 1.946 177.841 176.000 -0.174 0.000 0.958 965 Q CA 0.912 56.600 55.803 -0.192 0.000 0.841 965 Q CB -0.045 28.604 28.738 -0.149 0.000 0.915 965 Q HN 0.512 nan 8.270 nan 0.000 0.455 966 Q N 0.446 120.129 119.800 -0.194 0.000 2.030 966 Q HA -0.167 4.173 4.340 -0.000 0.000 0.204 966 Q C 2.374 178.252 176.000 -0.202 0.000 0.986 966 Q CA 1.524 57.220 55.803 -0.178 0.000 0.843 966 Q CB -0.135 28.487 28.738 -0.193 0.000 0.904 966 Q HN 0.460 nan 8.270 nan 0.000 0.420 967 L N 0.178 121.275 121.223 -0.209 0.000 1.997 967 L HA -0.290 4.050 4.340 -0.000 0.000 0.216 967 L C 2.755 179.485 176.870 -0.234 0.000 1.074 967 L CA 1.789 56.501 54.840 -0.215 0.000 0.763 967 L CB -0.524 41.442 42.059 -0.155 0.000 0.890 967 L HN 0.452 nan 8.230 nan 0.000 0.434 968 M N -0.147 119.334 119.600 -0.198 0.000 2.267 968 M HA -0.217 4.263 4.480 -0.000 0.000 0.263 968 M C 1.431 177.616 176.300 -0.191 0.000 1.063 968 M CA 1.818 57.001 55.300 -0.195 0.000 1.090 968 M CB 0.032 32.526 32.600 -0.176 0.000 1.392 968 M HN 0.234 nan 8.290 nan 0.000 0.422 969 E N -1.282 118.817 120.200 -0.168 0.000 2.498 969 E HA 0.125 4.475 4.350 -0.000 0.000 0.203 969 E C -0.397 176.130 176.600 -0.121 0.000 1.013 969 E CA -0.037 56.288 56.400 -0.126 0.000 0.927 969 E CB 0.459 30.105 29.700 -0.089 0.000 1.012 969 E HN 0.261 nan 8.360 nan 0.000 0.482 970 T N 1.278 115.730 114.554 -0.170 0.000 2.770 970 T HA 0.094 4.444 4.350 -0.000 0.000 0.297 970 T C 1.139 175.738 174.700 -0.169 0.000 0.997 970 T CA -0.435 61.573 62.100 -0.154 0.000 0.949 970 T CB 1.421 70.178 68.868 -0.185 0.000 0.941 970 T HN 0.106 nan 8.240 nan 0.000 0.457 971 S N 2.073 117.763 115.700 -0.017 0.000 2.474 971 S HA -0.053 4.417 4.470 -0.000 0.000 0.235 971 S C 0.320 175.038 174.600 0.197 0.000 0.997 971 S CA 0.566 58.843 58.200 0.128 0.000 0.949 971 S CB -0.345 63.061 63.200 0.345 0.000 0.766 971 S HN 0.761 nan 8.310 nan 0.000 0.517 972 H N 0.095 119.135 119.070 -0.050 0.000 2.856 972 H HA 0.458 5.014 4.556 -0.000 0.000 0.355 972 H C 0.822 176.103 175.328 -0.078 0.000 1.079 972 H CA -0.832 55.235 56.048 0.031 0.000 1.240 972 H CB 1.261 31.066 29.762 0.072 0.000 1.701 972 H HN 0.091 nan 8.280 nan 0.000 0.527 973 R N 1.863 122.459 120.500 0.161 0.000 2.226 973 R HA -0.202 4.138 4.340 -0.000 0.000 0.246 973 R C 0.684 177.016 176.300 0.053 0.000 1.161 973 R CA 2.043 58.188 56.100 0.075 0.000 0.997 973 R CB -0.407 29.968 30.300 0.125 0.000 0.870 973 R HN 0.794 nan 8.270 nan 0.000 0.465 974 H N 0.316 119.412 119.070 0.043 0.000 2.539 974 H HA 0.145 4.701 4.556 -0.000 0.000 0.267 974 H C 1.148 176.421 175.328 -0.091 0.000 0.982 974 H CA 0.147 56.183 56.048 -0.021 0.000 1.146 974 H CB 0.084 29.847 29.762 0.002 0.000 1.382 974 H HN 0.322 nan 8.280 nan 0.000 0.577 975 L N 0.670 121.614 121.223 -0.465 0.000 2.731 975 L HA 0.282 4.622 4.340 -0.000 0.000 0.240 975 L C 0.653 177.442 176.870 -0.135 0.000 1.120 975 L CA -0.128 54.495 54.840 -0.361 0.000 0.913 975 L CB 0.481 42.279 42.059 -0.435 0.000 1.213 975 L HN 0.056 nan 8.230 nan 0.000 0.515 976 L N 2.206 123.312 121.223 -0.195 0.000 2.453 976 L HA 0.119 4.459 4.340 -0.000 0.000 0.272 976 L C -0.057 176.763 176.870 -0.083 0.000 1.182 976 L CA 0.104 54.769 54.840 -0.292 0.000 0.858 976 L CB 0.303 41.989 42.059 -0.623 0.000 1.120 976 L HN 0.245 nan 8.230 nan 0.000 0.474 977 H N 2.217 121.323 119.070 0.060 0.000 2.667 977 H HA 0.519 5.075 4.556 -0.000 0.000 0.353 977 H C -0.567 174.910 175.328 0.248 0.000 1.072 977 H CA -1.213 54.915 56.048 0.133 0.000 1.214 977 H CB 1.153 30.936 29.762 0.034 0.000 1.600 977 H HN 0.659 nan 8.280 nan 0.000 0.527 978 A N 3.559 126.493 122.820 0.190 0.000 2.567 978 A HA 0.031 4.351 4.320 -0.000 0.000 0.240 978 A C 0.471 178.049 177.584 -0.009 0.000 1.053 978 A CA 0.088 52.049 52.037 -0.127 0.000 0.755 978 A CB -0.148 18.756 19.000 -0.160 0.000 0.978 978 A HN 0.852 nan 8.150 nan 0.000 0.507 979 E N 0.839 121.004 120.200 -0.059 0.000 2.359 979 E HA 0.115 4.465 4.350 -0.000 0.000 0.255 979 E C 0.912 177.518 176.600 0.010 0.000 1.191 979 E CA -0.574 55.871 56.400 0.075 0.000 0.952 979 E CB 0.546 30.381 29.700 0.226 0.000 1.152 979 E HN 0.828 nan 8.360 nan 0.000 0.496 980 E N 0.204 120.410 120.200 0.010 0.000 2.045 980 E HA -0.214 4.135 4.350 -0.000 0.000 0.212 980 E C 0.913 177.454 176.600 -0.098 0.000 1.039 980 E CA 1.731 58.101 56.400 -0.050 0.000 0.860 980 E CB -0.136 29.535 29.700 -0.047 0.000 0.776 980 E HN 0.534 nan 8.360 nan 0.000 0.467 981 G N -1.259 107.429 108.800 -0.186 0.000 3.019 981 G HA2 0.229 4.189 3.960 -0.000 0.000 0.152 981 G HA3 0.229 4.189 3.960 -0.000 0.000 0.152 981 G C -0.725 174.083 174.900 -0.153 0.000 1.320 981 G CA -0.216 44.787 45.100 -0.162 0.000 1.013 981 G HN 0.113 nan 8.290 nan 0.000 0.593 982 T N 1.023 115.503 114.554 -0.123 0.000 2.801 982 T HA 0.258 4.608 4.350 -0.000 0.000 0.306 982 T C -1.011 173.593 174.700 -0.160 0.000 1.020 982 T CA -0.097 61.947 62.100 -0.094 0.000 0.948 982 T CB 0.388 69.252 68.868 -0.006 0.000 0.962 982 T HN 0.303 nan 8.240 nan 0.000 0.465 983 W N 4.163 125.367 121.300 -0.160 0.000 2.368 983 W HA 0.451 5.111 4.660 -0.000 0.000 0.316 983 W C 0.175 176.571 176.519 -0.205 0.000 1.375 983 W CA -0.658 56.592 57.345 -0.159 0.000 1.261 983 W CB 0.390 29.764 29.460 -0.143 0.000 1.298 983 W HN 0.464 nan 8.180 nan 0.000 0.539 984 L N 5.442 126.698 121.223 0.055 0.000 2.385 984 L HA 0.544 4.884 4.340 -0.000 0.000 0.273 984 L C -0.808 175.982 176.870 -0.133 0.000 0.990 984 L CA -0.583 54.176 54.840 -0.134 0.000 0.821 984 L CB 1.031 42.864 42.059 -0.376 0.000 1.279 984 L HN 0.326 nan 8.230 nan 0.000 0.412 985 N N 6.456 125.069 118.700 -0.145 0.000 2.399 985 N HA 0.565 5.305 4.740 -0.000 0.000 0.295 985 N C -1.216 174.174 175.510 -0.201 0.000 1.048 985 N CA -0.441 52.509 53.050 -0.165 0.000 0.886 985 N CB 2.585 40.988 38.487 -0.139 0.000 1.185 985 N HN 0.546 nan 8.380 nan 0.000 0.487 986 I N 1.963 122.383 120.570 -0.250 0.000 2.531 986 I HA 0.184 4.354 4.170 -0.000 0.000 0.283 986 I C -1.184 174.803 176.117 -0.217 0.000 1.083 986 I CA -0.558 60.581 61.300 -0.269 0.000 1.071 986 I CB 1.838 39.519 38.000 -0.532 0.000 1.210 986 I HN 0.211 nan 8.210 nan 0.000 0.450 987 D N 4.341 124.648 120.400 -0.156 0.000 2.217 987 D HA 0.357 4.997 4.640 -0.000 0.000 0.243 987 D C 1.048 177.136 176.300 -0.353 0.000 1.054 987 D CA -0.189 53.651 54.000 -0.268 0.000 0.838 987 D CB 2.567 43.260 40.800 -0.178 0.000 1.162 987 D HN 0.698 nan 8.370 nan 0.000 0.472 988 G N 0.843 109.178 108.800 -0.775 0.000 2.683 988 G HA2 0.106 4.066 3.960 -0.000 0.000 0.213 988 G HA3 0.106 4.066 3.960 -0.000 0.000 0.213 988 G C -0.017 174.242 174.900 -1.068 0.000 1.142 988 G CA 0.256 44.757 45.100 -0.999 0.000 0.793 988 G HN 0.360 nan 8.290 nan 0.000 0.534 989 F N -1.204 118.530 119.950 -0.360 0.000 2.635 989 F HA 0.435 4.962 4.527 -0.000 0.000 0.314 989 F C -0.786 174.880 175.800 -0.223 0.000 1.119 989 F CA -1.222 56.639 58.000 -0.231 0.000 1.000 989 F CB 1.816 40.615 39.000 -0.336 0.000 1.278 989 F HN -0.085 nan 8.300 nan 0.000 0.446 990 H N 3.237 122.303 119.070 -0.007 0.000 2.768 990 H HA 0.533 5.089 4.556 -0.000 0.000 0.371 990 H C -1.143 174.194 175.328 0.014 0.000 1.151 990 H CA -0.777 55.239 56.048 -0.053 0.000 1.165 990 H CB 2.524 32.227 29.762 -0.098 0.000 1.722 990 H HN 0.817 nan 8.280 nan 0.000 0.543 991 M N 1.933 121.696 119.600 0.272 0.000 2.255 991 M HA 0.343 4.823 4.480 -0.000 0.000 0.336 991 M C 0.409 176.885 176.300 0.293 0.000 1.135 991 M CA -0.216 55.210 55.300 0.210 0.000 1.145 991 M CB 0.582 33.192 32.600 0.016 0.000 1.473 991 M HN 0.734 nan 8.290 nan 0.000 0.462 992 G N 2.563 111.481 108.800 0.197 0.000 2.594 992 G HA2 0.281 4.241 3.960 -0.000 0.000 0.243 992 G HA3 0.281 4.241 3.960 -0.000 0.000 0.243 992 G C 0.722 175.611 174.900 -0.018 0.000 1.229 992 G CA -0.552 44.590 45.100 0.068 0.000 0.843 992 G HN 0.956 nan 8.290 nan 0.000 0.578 993 I N -0.699 119.797 120.570 -0.124 0.000 2.852 993 I HA 0.327 4.497 4.170 -0.000 0.000 0.264 993 I C 1.306 177.347 176.117 -0.127 0.000 1.179 993 I CA 0.658 61.847 61.300 -0.185 0.000 1.480 993 I CB -0.834 36.955 38.000 -0.352 0.000 1.111 993 I HN 0.899 nan 8.210 nan 0.000 0.441 994 G N 1.547 110.285 108.800 -0.104 0.000 2.553 994 G HA2 0.018 3.978 3.960 -0.000 0.000 0.242 994 G HA3 0.018 3.978 3.960 -0.000 0.000 0.242 994 G C 0.584 175.452 174.900 -0.054 0.000 1.277 994 G CA 0.144 45.215 45.100 -0.048 0.000 0.910 994 G HN 1.520 nan 8.290 nan 0.000 0.576 995 G N -2.005 106.770 108.800 -0.042 0.000 2.147 995 G HA2 0.045 4.005 3.960 -0.000 0.000 0.128 995 G HA3 0.045 4.005 3.960 -0.000 0.000 0.128 995 G C 0.439 175.356 174.900 0.029 0.000 1.026 995 G CA 0.991 46.066 45.100 -0.041 0.000 0.693 995 G HN 1.006 nan 8.290 nan 0.000 0.499 996 D N 0.846 121.275 120.400 0.048 0.000 2.312 996 D HA 0.225 4.865 4.640 -0.000 0.000 0.211 996 D C 0.948 177.259 176.300 0.018 0.000 0.964 996 D CA 1.876 55.981 54.000 0.175 0.000 0.877 996 D CB 0.294 41.214 40.800 0.200 0.000 0.924 996 D HN 0.866 nan 8.370 nan 0.000 0.515 997 D N -3.492 116.731 120.400 -0.295 0.000 2.742 997 D HA 0.158 4.798 4.640 -0.000 0.000 0.262 997 D C -0.875 174.844 176.300 -0.969 0.000 1.240 997 D CA -0.668 52.767 54.000 -0.942 0.000 0.752 997 D CB 0.513 40.416 40.800 -1.495 0.000 1.290 997 D HN -0.293 nan 8.370 nan 0.000 0.420 998 S N -0.112 114.710 115.700 -1.464 0.000 2.664 998 S HA 0.256 4.726 4.470 -0.000 0.000 0.245 998 S C -0.348 174.100 174.600 -0.254 0.000 1.019 998 S CA -0.561 57.234 58.200 -0.674 0.000 0.996 998 S CB -0.511 62.413 63.200 -0.459 0.000 0.878 998 S HN 0.601 nan 8.310 nan 0.000 0.493 999 W N 1.134 122.319 121.300 -0.191 0.000 2.518 999 W HA 0.539 5.199 4.660 -0.000 0.000 0.352 999 W C 0.167 176.623 176.519 -0.105 0.000 0.952 999 W CA -0.409 56.853 57.345 -0.137 0.000 1.624 999 W CB -0.523 28.801 29.460 -0.226 0.000 1.135 999 W HN 0.184 nan 8.180 nan 0.000 0.540 1000 S N -0.811 114.753 115.700 -0.226 0.000 2.638 1000 S HA 0.709 5.179 4.470 -0.000 0.000 0.274 1000 S C -3.140 171.370 174.600 -0.150 0.000 1.157 1000 S CA -1.648 56.473 58.200 -0.133 0.000 0.826 1000 S CB 1.702 64.855 63.200 -0.078 0.000 1.139 1000 S HN -0.221 nan 8.310 nan 0.000 0.474 1001 P HA 0.362 nan 4.420 nan 0.000 0.276 1001 P C -0.121 177.170 177.300 -0.014 0.000 1.243 1001 P CA -0.377 62.683 63.100 -0.066 0.000 0.768 1001 P CB 0.897 32.468 31.700 -0.215 0.000 0.856 1002 S N 0.267 115.988 115.700 0.034 0.000 2.629 1002 S HA 0.136 4.606 4.470 -0.000 0.000 0.236 1002 S C 0.439 175.101 174.600 0.103 0.000 1.010 1002 S CA -0.338 57.881 58.200 0.031 0.000 0.981 1002 S CB 0.057 63.234 63.200 -0.039 0.000 0.919 1002 S HN 0.185 nan 8.310 nan 0.000 0.514 1003 V N 4.138 124.170 119.914 0.197 0.000 2.353 1003 V HA 0.336 4.456 4.120 -0.000 0.000 0.264 1003 V C 0.641 176.897 176.094 0.269 0.000 1.049 1003 V CA -0.761 61.668 62.300 0.215 0.000 0.896 1003 V CB 0.385 32.317 31.823 0.182 0.000 1.025 1003 V HN 0.555 nan 8.190 nan 0.000 0.475 1004 S N 4.312 120.175 115.700 0.271 0.000 2.549 1004 S HA 0.367 4.837 4.470 -0.000 0.000 0.283 1004 S C 1.580 176.339 174.600 0.265 0.000 1.320 1004 S CA -0.026 58.332 58.200 0.263 0.000 1.058 1004 S CB 1.366 64.699 63.200 0.223 0.000 0.882 1004 S HN 1.195 nan 8.310 nan 0.000 0.498 1005 A N 3.375 126.307 122.820 0.187 0.000 1.920 1005 A HA -0.348 3.972 4.320 -0.000 0.000 0.229 1005 A C 1.925 179.546 177.584 0.061 0.000 1.516 1005 A CA 2.621 54.746 52.037 0.146 0.000 0.714 1005 A CB -1.703 17.354 19.000 0.095 0.000 0.845 1005 A HN 1.024 nan 8.150 nan 0.000 0.493 1006 E N -1.168 119.008 120.200 -0.040 0.000 2.273 1006 E HA -0.172 4.178 4.350 -0.000 0.000 0.198 1006 E C 1.057 177.328 176.600 -0.548 0.000 1.002 1006 E CA 1.507 57.726 56.400 -0.302 0.000 0.828 1006 E CB -0.409 29.006 29.700 -0.474 0.000 0.747 1006 E HN 0.757 nan 8.360 nan 0.000 0.491 1007 F N 0.795 120.804 119.950 0.099 0.000 2.664 1007 F HA 0.225 4.752 4.527 -0.000 0.000 0.303 1007 F C 0.378 176.235 175.800 0.095 0.000 1.092 1007 F CA -0.245 57.814 58.000 0.098 0.000 1.305 1007 F CB 0.151 39.204 39.000 0.089 0.000 1.054 1007 F HN -0.147 nan 8.300 nan 0.000 0.565 1008 Q N 0.733 120.648 119.800 0.191 0.000 2.214 1008 Q HA 0.491 4.831 4.340 -0.000 0.000 0.251 1008 Q C -0.441 175.600 176.000 0.069 0.000 0.936 1008 Q CA -0.711 55.201 55.803 0.182 0.000 0.894 1008 Q CB 1.970 30.927 28.738 0.365 0.000 1.252 1008 Q HN 0.181 nan 8.270 nan 0.000 0.448 1009 L N 2.205 123.438 121.223 0.016 0.000 2.404 1009 L HA 0.135 4.475 4.340 -0.000 0.000 0.277 1009 L C 0.348 177.101 176.870 -0.195 0.000 1.184 1009 L CA -0.064 54.730 54.840 -0.077 0.000 1.013 1009 L CB -0.222 41.670 42.059 -0.280 0.000 1.318 1009 L HN 0.761 nan 8.230 nan 0.000 0.435 1010 S N -0.611 114.969 115.700 -0.200 0.000 2.701 1010 S HA 0.180 4.650 4.470 -0.000 0.000 0.242 1010 S C 1.434 175.937 174.600 -0.161 0.000 1.025 1010 S CA 0.177 58.062 58.200 -0.525 0.000 1.016 1010 S CB 0.829 63.756 63.200 -0.456 0.000 0.977 1010 S HN 0.515 nan 8.310 nan 0.000 0.546 1011 A N 1.502 124.274 122.820 -0.080 0.000 2.168 1011 A HA 0.521 4.841 4.320 -0.000 0.000 0.215 1011 A C 2.073 179.461 177.584 -0.327 0.000 1.152 1011 A CA 1.048 52.885 52.037 -0.333 0.000 0.716 1011 A CB -1.189 17.460 19.000 -0.586 0.000 0.794 1011 A HN 1.470 nan 8.150 nan 0.000 0.465 1012 G N -1.030 107.697 108.800 -0.123 0.000 2.458 1012 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.237 1012 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.237 1012 G C 0.466 175.336 174.900 -0.050 0.000 1.113 1012 G CA 0.475 45.559 45.100 -0.028 0.000 0.655 1012 G HN 0.652 nan 8.290 nan 0.000 0.513 1013 R N -0.303 120.022 120.500 -0.292 0.000 2.451 1013 R HA 0.621 4.961 4.340 -0.000 0.000 0.307 1013 R C -1.574 174.443 176.300 -0.470 0.000 0.965 1013 R CA -0.534 55.440 56.100 -0.210 0.000 0.865 1013 R CB 1.292 31.513 30.300 -0.131 0.000 1.174 1013 R HN 0.245 nan 8.270 nan 0.000 0.455 1014 Y N 0.766 121.037 120.300 -0.048 0.000 2.409 1014 Y HA 0.345 4.895 4.550 -0.000 0.000 0.343 1014 Y C -0.159 175.892 175.900 0.251 0.000 0.973 1014 Y CA -0.863 57.183 58.100 -0.089 0.000 1.064 1014 Y CB 1.999 40.233 38.460 -0.376 0.000 1.207 1014 Y HN 0.561 nan 8.280 nan 0.000 0.452 1015 H N 2.905 122.248 119.070 0.455 0.000 2.679 1015 H HA 0.612 5.168 4.556 -0.000 0.000 0.360 1015 H C -1.854 173.837 175.328 0.604 0.000 1.105 1015 H CA -0.964 55.336 56.048 0.420 0.000 1.196 1015 H CB 1.195 31.095 29.762 0.230 0.000 1.636 1015 H HN 0.529 nan 8.280 nan 0.000 0.531 1016 Y N 1.443 121.506 120.300 -0.395 0.000 2.581 1016 Y HA 0.565 5.115 4.550 -0.000 0.000 0.337 1016 Y C -1.845 173.823 175.900 -0.387 0.000 1.108 1016 Y CA -1.142 56.775 58.100 -0.306 0.000 1.033 1016 Y CB 1.140 39.551 38.460 -0.081 0.000 1.318 1016 Y HN 0.709 nan 8.280 nan 0.000 0.459 1017 Q N 2.707 122.380 119.800 -0.211 0.000 2.423 1017 Q HA 0.864 5.204 4.340 -0.000 0.000 0.278 1017 Q C -1.637 174.347 176.000 -0.028 0.000 1.097 1017 Q CA -0.898 54.803 55.803 -0.170 0.000 0.809 1017 Q CB 3.569 32.279 28.738 -0.046 0.000 1.391 1017 Q HN 0.794 nan 8.270 nan 0.000 0.428 1018 L N 0.100 121.304 121.223 -0.032 0.000 2.491 1018 L HA 0.768 5.108 4.340 -0.000 0.000 0.254 1018 L C -1.445 175.476 176.870 0.084 0.000 1.048 1018 L CA -1.105 53.753 54.840 0.030 0.000 0.855 1018 L CB 2.730 44.779 42.059 -0.015 0.000 1.466 1018 L HN 0.371 nan 8.230 nan 0.000 0.409 1019 V N 0.491 120.490 119.914 0.140 0.000 2.559 1019 V HA 0.263 4.383 4.120 -0.000 0.000 0.289 1019 V C -1.407 174.815 176.094 0.213 0.000 1.036 1019 V CA -0.422 61.980 62.300 0.169 0.000 0.887 1019 V CB 1.824 33.726 31.823 0.132 0.000 1.022 1019 V HN 0.560 nan 8.190 nan 0.000 0.442 1020 W N 6.556 127.874 121.300 0.030 0.000 2.365 1020 W HA 0.742 5.402 4.660 -0.000 0.000 0.316 1020 W C -0.121 176.353 176.519 -0.075 0.000 1.164 1020 W CA -1.053 56.220 57.345 -0.121 0.000 1.204 1020 W CB 1.523 30.981 29.460 -0.004 0.000 1.213 1020 W HN 0.806 nan 8.180 nan 0.000 0.539 1021 C N 3.982 123.528 119.300 0.410 0.000 3.285 1021 C HA 0.721 5.181 4.460 -0.000 0.000 0.325 1021 C C -0.724 174.330 174.990 0.106 0.000 1.304 1021 C CA -0.935 58.195 59.018 0.187 0.000 1.319 1021 C CB 1.394 29.200 27.740 0.111 0.000 1.640 1021 C HN 0.592 nan 8.230 nan 0.000 0.477 1022 Q N 0.616 120.418 119.800 0.003 0.000 2.333 1022 Q HA 0.826 5.166 4.340 -0.000 0.000 0.266 1022 Q C -0.613 175.335 176.000 -0.086 0.000 1.053 1022 Q CA -0.351 55.374 55.803 -0.131 0.000 0.890 1022 Q CB 1.134 29.757 28.738 -0.191 0.000 1.337 1022 Q HN 0.743 nan 8.270 nan 0.000 0.474 1023 K N 0.000 120.328 120.400 -0.120 0.000 2.780 1023 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 1023 K CA 0.000 56.244 56.287 -0.072 0.000 0.838 1023 K CB 0.000 32.464 32.500 -0.060 0.000 1.064 1023 K HN 0.000 nan 8.250 nan 0.000 0.543