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 1jyw_1_D DATA FIRST_RESID 13 DATA SEQUENCE RRDWENPGVT QLNRLAAHPP FASWRNSEEA RTDRPSQQLR SLNGEWRFAW DATA SEQUENCE FPAPEAVPES WLECDLPEAD TVVVPSNWQM HGYDAPIYTN VTYPITVNPP DATA SEQUENCE FVPTENPTGC YSLTFNVDES WLQEGQTRII FDGVNSAFHL WCNGRWVGYG DATA SEQUENCE QDSRLPSEFD LSAFLRAGEN RLAVMVLRWS DGSYLEDQDM WRMSGIFRDV DATA SEQUENCE SLLHKPTTQI SDFHVATRFN DDFSRAVLEA EVQMCGELRD YLRVTVSLWQ DATA SEQUENCE GETQVASGTA PFGGEIIDER GGYADRVTLR LNVENPKLWS AEIPNLYRAV DATA SEQUENCE VELHTADGTL IEAEACDVGF REVRIENGLL LLNGKPLLIR GVNRHEHHPL DATA SEQUENCE HGQVMDEQTM VQDILLMKQN NFNAVRCSHY PNHPLWYTLC DRYGLYVVDE DATA SEQUENCE ANIETHGMVP MNRLTDDPRW LPAMSERVTR MVQRDRNHPS VIIWSLGNES DATA SEQUENCE GHGANHDALY RWIKSVDPSR PVQYEGGGAD TTATDIICPM YARVDEDQPF DATA SEQUENCE PAVPKWSIKK WLSLPGETRP LILCQYAHAM GNSLGGFAKY WQAFRQYPRL DATA SEQUENCE QGGFVWDWVD QSLIKYDENG NPWSAYGGDF GDTPNDRQFC MNGLVFADRT DATA SEQUENCE PHPALTEAKH QQQFFQFRLS GQTIEVTSEY LFRHSDNELL HWMVALDGKP DATA SEQUENCE LASGEVPLDV APQGKQLIEL PELPQPESAG QLWLTVRVVQ PNATAWSEAG DATA SEQUENCE HISAWQQWRL AENLSVTLPA ASHAIPHLTT SEMDFCIELG NKRWQFNRQS DATA SEQUENCE GFLSQMWIGD KKQLLTPLRD QFTRAPLDND IGVSEATRID PNAWVERWKA DATA SEQUENCE AGHYQAEAAL LQCTADTLAD AVLITTAHAW QHQGKTLFIS RKTYRIDGSG DATA SEQUENCE QMAITVDVEV ASDTPHPARI GLNCQLAQVA ERVNWLGLGP QENYPDRLTA DATA SEQUENCE ACFDRWDLPL SDMYTPYVFP SENGLRCGTR ELNYGPHQWR GDFQFNISRY DATA SEQUENCE SQQQLMETSH RHLLHAEEGT WLNIDGFHMG IGGDDSWSPS VSAEFQLSAG DATA SEQUENCE 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 13 R HA 0.000 nan 4.340 nan 0.000 0.208 13 R C 0.000 176.068 176.300 -0.387 0.000 0.893 13 R CA 0.000 55.957 56.100 -0.238 0.000 0.921 13 R CB 0.000 30.157 30.300 -0.238 0.000 0.687 14 R N 1.316 121.471 120.500 -0.575 0.000 3.436 14 R HA 0.147 4.495 4.340 0.013 0.000 0.247 14 R C -0.202 175.540 176.300 -0.930 0.000 1.434 14 R CA -0.402 54.941 56.100 -1.261 0.000 1.543 14 R CB 0.281 29.977 30.300 -1.007 0.000 1.289 14 R HN 0.506 nan 8.270 nan 0.000 0.664 15 D N 1.080 121.114 120.400 -0.610 0.000 2.309 15 D HA -0.172 4.476 4.640 0.013 0.000 0.212 15 D C 1.268 177.443 176.300 -0.209 0.000 0.968 15 D CA 1.090 54.830 54.000 -0.434 0.000 0.882 15 D CB 0.168 40.545 40.800 -0.704 0.000 0.918 15 D HN 0.643 nan 8.370 nan 0.000 0.503 16 W N 1.097 122.400 121.300 0.006 0.000 3.292 16 W HA 0.220 4.887 4.660 0.012 0.000 0.263 16 W C 0.522 177.121 176.519 0.133 0.000 1.318 16 W CA -0.276 57.177 57.345 0.180 0.000 1.663 16 W CB -0.214 29.405 29.460 0.265 0.000 1.114 16 W HN -0.195 nan 8.180 nan 0.000 0.706 17 E N 1.067 121.122 120.200 -0.242 0.000 2.995 17 E HA 0.045 4.403 4.350 0.013 0.000 0.203 17 E C -0.698 175.736 176.600 -0.276 0.000 0.980 17 E CA -0.204 56.080 56.400 -0.194 0.000 1.172 17 E CB -0.141 29.429 29.700 -0.216 0.000 1.088 17 E HN 0.018 nan 8.360 nan 0.000 0.463 18 N N 0.928 119.505 118.700 -0.205 0.000 2.571 18 N HA 0.174 4.922 4.740 0.013 0.000 0.286 18 N C -2.487 172.889 175.510 -0.223 0.000 1.138 18 N CA -2.026 50.876 53.050 -0.248 0.000 0.859 18 N CB 1.566 39.915 38.487 -0.229 0.000 1.414 18 N HN -0.203 nan 8.380 nan 0.000 0.529 19 P HA 0.118 nan 4.420 nan 0.000 0.234 19 P C 1.081 178.162 177.300 -0.365 0.000 1.167 19 P CA 0.573 63.387 63.100 -0.477 0.000 0.763 19 P CB 0.193 31.198 31.700 -1.160 0.000 0.835 20 G N -0.726 107.894 108.800 -0.299 0.000 2.623 20 G HA2 0.027 3.995 3.960 0.013 0.000 0.214 20 G HA3 0.027 3.995 3.960 0.013 0.000 0.214 20 G C 0.221 175.045 174.900 -0.128 0.000 1.138 20 G CA 0.197 45.169 45.100 -0.214 0.000 0.794 20 G HN 0.195 nan 8.290 nan 0.000 0.535 21 V N 1.865 121.719 119.914 -0.100 0.000 2.304 21 V HA 0.282 4.410 4.120 0.013 0.000 0.278 21 V C 0.907 177.048 176.094 0.078 0.000 1.018 21 V CA 0.154 62.441 62.300 -0.021 0.000 0.814 21 V CB 1.110 32.895 31.823 -0.063 0.000 1.021 21 V HN 0.331 nan 8.190 nan 0.000 0.440 22 T N 0.781 115.382 114.554 0.077 0.000 3.054 22 T HA 0.366 4.724 4.350 0.013 0.000 0.255 22 T C 0.240 175.002 174.700 0.103 0.000 1.035 22 T CA -0.018 62.142 62.100 0.101 0.000 0.941 22 T CB 0.218 69.096 68.868 0.017 0.000 1.026 22 T HN 0.692 nan 8.240 nan 0.000 0.533 23 Q N 0.168 120.072 119.800 0.174 0.000 2.721 23 Q HA 0.665 5.013 4.340 0.013 0.000 0.282 23 Q C -2.219 173.921 176.000 0.234 0.000 0.932 23 Q CA -1.026 54.873 55.803 0.159 0.000 0.816 23 Q CB 0.844 29.594 28.738 0.020 0.000 1.506 23 Q HN 0.211 nan 8.270 nan 0.000 0.399 24 L N 1.802 123.195 121.223 0.284 0.000 2.438 24 L HA 0.620 4.967 4.340 0.013 0.000 0.270 24 L C -0.521 176.477 176.870 0.214 0.000 0.972 24 L CA -0.865 54.141 54.840 0.276 0.000 0.831 24 L CB 1.880 44.222 42.059 0.471 0.000 1.273 24 L HN 0.845 nan 8.230 nan 0.000 0.405 25 N N 0.797 119.588 118.700 0.153 0.000 2.800 25 N HA -0.206 4.541 4.740 0.013 0.000 0.250 25 N C 0.182 175.782 175.510 0.149 0.000 1.078 25 N CA 0.827 53.957 53.050 0.134 0.000 0.804 25 N CB -0.773 37.741 38.487 0.045 0.000 1.135 25 N HN 0.651 nan 8.380 nan 0.000 0.565 26 R N 0.948 121.460 120.500 0.019 0.000 2.441 26 R HA 0.403 4.750 4.340 0.013 0.000 0.284 26 R C 0.583 176.763 176.300 -0.201 0.000 1.070 26 R CA -0.366 55.554 56.100 -0.300 0.000 1.047 26 R CB 0.560 30.660 30.300 -0.334 0.000 1.016 26 R HN 0.112 nan 8.270 nan 0.000 0.477 27 L N 2.845 123.917 121.223 -0.252 0.000 2.472 27 L HA 0.289 4.637 4.340 0.013 0.000 0.260 27 L C 0.694 177.517 176.870 -0.078 0.000 1.209 27 L CA -0.527 54.249 54.840 -0.107 0.000 0.817 27 L CB 0.708 42.729 42.059 -0.064 0.000 1.106 27 L HN 0.765 nan 8.230 nan 0.000 0.479 28 A N 1.196 124.010 122.820 -0.010 0.000 2.466 28 A HA 0.499 4.827 4.320 0.013 0.000 0.238 28 A C 0.248 177.858 177.584 0.043 0.000 1.074 28 A CA 0.037 52.080 52.037 0.010 0.000 0.774 28 A CB 0.194 19.221 19.000 0.045 0.000 1.015 28 A HN 0.790 nan 8.150 nan 0.000 0.498 29 A N 1.049 123.846 122.820 -0.039 0.000 2.304 29 A HA 0.723 5.051 4.320 0.013 0.000 0.271 29 A C 0.044 177.549 177.584 -0.132 0.000 1.091 29 A CA 0.399 52.337 52.037 -0.167 0.000 0.812 29 A CB 0.028 18.910 19.000 -0.196 0.000 1.056 29 A HN 1.941 nan 8.150 nan 0.000 0.489 30 H N -2.411 116.503 119.070 -0.260 0.000 2.904 30 H HA 0.613 5.176 4.556 0.013 0.000 0.290 30 H C -3.426 171.612 175.328 -0.483 0.000 1.437 30 H CA -1.704 54.131 56.048 -0.356 0.000 1.147 30 H CB 0.076 29.540 29.762 -0.498 0.000 1.824 30 H HN 0.383 nan 8.280 nan 0.000 0.505 31 P HA 0.245 nan 4.420 nan 0.000 0.274 31 P C -2.599 174.508 177.300 -0.322 0.000 1.256 31 P CA -1.503 61.365 63.100 -0.387 0.000 0.795 31 P CB -0.143 31.267 31.700 -0.484 0.000 1.038 32 P HA 0.063 nan 4.420 nan 0.000 0.263 32 P C -0.802 176.689 177.300 0.318 0.000 1.195 32 P CA 1.111 64.232 63.100 0.034 0.000 0.762 32 P CB -0.072 31.692 31.700 0.107 0.000 0.799 33 F N 1.309 121.363 119.950 0.172 0.000 2.579 33 F HA 0.614 5.149 4.527 0.013 0.000 0.324 33 F C 0.936 176.669 175.800 -0.112 0.000 1.058 33 F CA -1.027 57.025 58.000 0.088 0.000 0.944 33 F CB 2.204 41.224 39.000 0.032 0.000 1.245 33 F HN 0.200 nan 8.300 nan 0.000 0.477 34 A N 0.262 123.009 122.820 -0.121 0.000 2.606 34 A HA 0.254 4.582 4.320 0.013 0.000 0.230 34 A C 0.600 177.904 177.584 -0.466 0.000 1.279 34 A CA 0.374 52.090 52.037 -0.536 0.000 1.010 34 A CB -0.053 18.059 19.000 -1.480 0.000 1.271 34 A HN 0.737 nan 8.150 nan 0.000 0.584 35 S N 0.324 115.869 115.700 -0.259 0.000 3.550 35 S HA -0.147 4.331 4.470 0.013 0.000 0.372 35 S C -0.061 174.488 174.600 -0.085 0.000 0.966 35 S CA 0.389 58.485 58.200 -0.173 0.000 1.229 35 S CB -1.505 61.578 63.200 -0.196 0.000 0.917 35 S HN 0.482 nan 8.310 nan 0.000 0.496 36 W N 1.607 122.896 121.300 -0.018 0.000 2.181 36 W HA 0.236 4.903 4.660 0.012 0.000 0.335 36 W C 1.264 177.775 176.519 -0.013 0.000 1.310 36 W CA -0.461 56.885 57.345 0.000 0.000 1.226 36 W CB 0.301 29.758 29.460 -0.005 0.000 1.155 36 W HN 0.311 nan 8.180 nan 0.000 0.565 37 R N 2.221 122.868 120.500 0.244 0.000 2.577 37 R HA 0.092 4.440 4.340 0.013 0.000 0.344 37 R C -0.125 176.249 176.300 0.124 0.000 1.037 37 R CA -0.151 56.034 56.100 0.141 0.000 1.102 37 R CB -0.216 30.150 30.300 0.110 0.000 1.313 37 R HN 0.354 nan 8.270 nan 0.000 0.561 38 N N -0.102 118.684 118.700 0.144 0.000 2.454 38 N HA 0.121 4.869 4.740 0.013 0.000 0.291 38 N C -0.121 175.378 175.510 -0.019 0.000 1.079 38 N CA -0.026 53.059 53.050 0.059 0.000 0.893 38 N CB 1.861 40.384 38.487 0.060 0.000 1.512 38 N HN -0.257 nan 8.380 nan 0.000 0.497 39 S N 2.229 117.894 115.700 -0.058 0.000 2.402 39 S HA -0.139 4.338 4.470 0.013 0.000 0.229 39 S C 1.381 175.826 174.600 -0.258 0.000 1.021 39 S CA 1.012 59.131 58.200 -0.135 0.000 0.974 39 S CB 0.047 63.196 63.200 -0.085 0.000 0.800 39 S HN 0.736 nan 8.310 nan 0.000 0.484 40 E N 1.632 121.699 120.200 -0.222 0.000 2.106 40 E HA -0.117 4.241 4.350 0.013 0.000 0.192 40 E C 1.858 178.265 176.600 -0.322 0.000 0.984 40 E CA 1.065 57.294 56.400 -0.286 0.000 0.806 40 E CB -0.121 29.465 29.700 -0.189 0.000 0.750 40 E HN 0.257 nan 8.360 nan 0.000 0.458 41 E N 0.187 120.227 120.200 -0.268 0.000 2.106 41 E HA -0.122 4.235 4.350 0.013 0.000 0.192 41 E C 1.985 178.095 176.600 -0.816 0.000 0.984 41 E CA 1.107 57.334 56.400 -0.288 0.000 0.806 41 E CB -0.490 29.207 29.700 -0.004 0.000 0.750 41 E HN 0.380 nan 8.360 nan 0.000 0.458 42 A N 1.594 123.717 122.820 -1.162 0.000 1.902 42 A HA -0.193 4.134 4.320 0.013 0.000 0.217 42 A C 2.239 179.207 177.584 -1.028 0.000 1.181 42 A CA 1.633 52.571 52.037 -1.830 0.000 0.623 42 A CB -0.503 17.869 19.000 -1.047 0.000 0.818 42 A HN 0.138 nan 8.150 nan 0.000 0.443 43 R N -0.153 119.939 120.500 -0.680 0.000 2.083 43 R HA -0.149 4.198 4.340 0.013 0.000 0.237 43 R C 2.000 178.031 176.300 -0.448 0.000 1.137 43 R CA 2.172 57.918 56.100 -0.590 0.000 0.951 43 R CB -0.522 29.294 30.300 -0.807 0.000 0.851 43 R HN 0.624 nan 8.270 nan 0.000 0.434 44 T N -2.713 111.602 114.554 -0.399 0.000 3.129 44 T HA 0.039 4.396 4.350 0.013 0.000 0.251 44 T C 0.317 174.925 174.700 -0.154 0.000 1.117 44 T CA 0.607 62.565 62.100 -0.237 0.000 1.034 44 T CB 0.043 68.802 68.868 -0.182 0.000 0.968 44 T HN 0.394 nan 8.240 nan 0.000 0.526 45 D N 0.522 120.787 120.400 -0.226 0.000 3.012 45 D HA -0.160 4.488 4.640 0.013 0.000 0.222 45 D C 0.196 176.623 176.300 0.211 0.000 1.167 45 D CA 0.529 54.549 54.000 0.034 0.000 0.854 45 D CB -1.021 39.840 40.800 0.101 0.000 1.107 45 D HN 0.591 nan 8.370 nan 0.000 0.421 46 R N -0.098 120.496 120.500 0.158 0.000 2.652 46 R HA 0.500 4.848 4.340 0.013 0.000 0.271 46 R C -2.135 174.437 176.300 0.453 0.000 1.129 46 R CA -1.306 54.933 56.100 0.233 0.000 1.200 46 R CB 0.093 30.471 30.300 0.130 0.000 1.146 46 R HN 0.045 nan 8.270 nan 0.000 0.581 47 P HA -0.026 nan 4.420 nan 0.000 0.269 47 P C -0.866 176.584 177.300 0.251 0.000 1.215 47 P CA 0.231 63.467 63.100 0.228 0.000 0.780 47 P CB 0.785 32.568 31.700 0.139 0.000 0.898 48 S N 1.086 116.797 115.700 0.018 0.000 2.454 48 S HA 0.150 4.628 4.470 0.013 0.000 0.306 48 S C 0.841 175.456 174.600 0.025 0.000 1.100 48 S CA -0.482 57.667 58.200 -0.084 0.000 1.087 48 S CB 0.563 63.434 63.200 -0.548 0.000 1.019 48 S HN 0.324 nan 8.310 nan 0.000 0.480 49 Q N 1.937 121.798 119.800 0.102 0.000 2.436 49 Q HA -0.003 4.345 4.340 0.013 0.000 0.209 49 Q C 0.929 177.083 176.000 0.258 0.000 0.965 49 Q CA 0.702 56.596 55.803 0.151 0.000 0.910 49 Q CB 0.130 28.960 28.738 0.153 0.000 0.980 49 Q HN 0.670 nan 8.270 nan 0.000 0.491 50 Q N -0.135 119.777 119.800 0.185 0.000 2.403 50 Q HA 0.075 4.423 4.340 0.013 0.000 0.203 50 Q C -0.159 175.933 176.000 0.153 0.000 0.932 50 Q CA 0.236 56.177 55.803 0.229 0.000 0.945 50 Q CB 0.398 29.154 28.738 0.029 0.000 1.045 50 Q HN 0.127 nan 8.270 nan 0.000 0.511 51 L N 0.740 122.024 121.223 0.103 0.000 2.372 51 L HA 0.404 4.752 4.340 0.013 0.000 0.273 51 L C -1.065 175.866 176.870 0.102 0.000 0.989 51 L CA -0.254 54.624 54.840 0.064 0.000 0.841 51 L CB 1.246 43.261 42.059 -0.073 0.000 1.225 51 L HN -0.175 nan 8.230 nan 0.000 0.414 52 R N 2.431 123.019 120.500 0.147 0.000 2.711 52 R HA 0.626 4.974 4.340 0.013 0.000 0.284 52 R C -0.736 175.594 176.300 0.050 0.000 0.968 52 R CA -0.720 55.439 56.100 0.098 0.000 0.924 52 R CB 2.160 32.527 30.300 0.112 0.000 1.162 52 R HN 0.672 nan 8.270 nan 0.000 0.465 53 S N 2.069 117.790 115.700 0.034 0.000 2.554 53 S HA 0.299 4.777 4.470 0.013 0.000 0.278 53 S C 0.576 175.193 174.600 0.029 0.000 1.242 53 S CA -0.642 57.572 58.200 0.023 0.000 1.051 53 S CB 0.611 63.831 63.200 0.034 0.000 0.986 53 S HN 0.555 nan 8.310 nan 0.000 0.502 54 L N 3.445 124.690 121.223 0.035 0.000 2.741 54 L HA 0.301 4.649 4.340 0.013 0.000 0.237 54 L C 0.150 177.195 176.870 0.291 0.000 1.178 54 L CA -0.397 54.502 54.840 0.099 0.000 0.973 54 L CB -0.407 41.683 42.059 0.052 0.000 1.255 54 L HN 0.513 nan 8.230 nan 0.000 0.498 55 N N 1.281 120.088 118.700 0.179 0.000 2.453 55 N HA 0.478 5.226 4.740 0.013 0.000 0.253 55 N C 0.665 176.311 175.510 0.227 0.000 1.252 55 N CA 0.999 54.156 53.050 0.179 0.000 0.917 55 N CB 1.231 39.756 38.487 0.065 0.000 1.117 55 N HN 0.301 nan 8.380 nan 0.000 0.442 56 G N 0.368 109.319 108.800 0.253 0.000 2.247 56 G HA2 -0.079 3.889 3.960 0.013 0.000 0.229 56 G HA3 -0.079 3.889 3.960 0.013 0.000 0.229 56 G C -1.556 173.550 174.900 0.344 0.000 1.345 56 G CA -0.788 44.448 45.100 0.228 0.000 1.100 56 G HN 0.467 nan 8.290 nan 0.000 0.473 57 E N 0.106 120.478 120.200 0.287 0.000 2.229 57 E HA 0.463 4.820 4.350 0.013 0.000 0.283 57 E C -0.927 175.933 176.600 0.434 0.000 1.030 57 E CA -0.222 56.374 56.400 0.327 0.000 0.836 57 E CB 1.090 30.897 29.700 0.177 0.000 1.068 57 E HN 0.353 nan 8.360 nan 0.000 0.401 58 W N 1.631 123.029 121.300 0.164 0.000 2.804 58 W HA 0.409 5.077 4.660 0.013 0.000 0.352 58 W C 0.290 176.941 176.519 0.219 0.000 1.153 58 W CA -0.767 56.706 57.345 0.213 0.000 1.119 58 W CB 0.664 30.316 29.460 0.319 0.000 1.448 58 W HN 0.178 nan 8.180 nan 0.000 0.600 59 R N 1.287 122.075 120.500 0.480 0.000 2.474 59 R HA 0.591 4.938 4.340 0.013 0.000 0.295 59 R C -1.475 175.072 176.300 0.412 0.000 0.980 59 R CA -0.891 55.423 56.100 0.358 0.000 0.934 59 R CB 1.333 31.787 30.300 0.256 0.000 1.101 59 R HN 0.460 nan 8.270 nan 0.000 0.469 60 F N 0.373 120.366 119.950 0.073 0.000 2.591 60 F HA 0.626 5.160 4.527 0.013 0.000 0.309 60 F C -1.513 174.137 175.800 -0.250 0.000 1.098 60 F CA -0.669 57.231 58.000 -0.167 0.000 0.937 60 F CB 2.001 40.798 39.000 -0.338 0.000 1.250 60 F HN 0.609 nan 8.300 nan 0.000 0.447 61 A N 4.566 126.611 122.820 -1.291 0.000 2.422 61 A HA 0.563 4.891 4.320 0.013 0.000 0.302 61 A C -2.338 174.261 177.584 -1.642 0.000 1.041 61 A CA -0.520 50.842 52.037 -1.125 0.000 0.708 61 A CB 0.691 19.320 19.000 -0.617 0.000 1.257 61 A HN 0.936 nan 8.150 nan 0.000 0.414 62 W N 2.913 123.334 121.300 -1.465 0.000 2.417 62 W HA 0.726 5.393 4.660 0.012 0.000 0.317 62 W C -1.720 174.114 176.519 -1.142 0.000 1.121 62 W CA -0.200 56.443 57.345 -1.169 0.000 1.208 62 W CB 0.920 29.980 29.460 -0.667 0.000 1.253 62 W HN 0.500 nan 8.180 nan 0.000 0.533 63 F N 6.271 125.507 119.950 -1.191 0.000 2.588 63 F HA 0.375 4.909 4.527 0.012 0.000 0.314 63 F C -1.260 173.642 175.800 -1.496 0.000 1.069 63 F CA -2.215 55.218 58.000 -0.946 0.000 0.931 63 F CB 1.779 40.396 39.000 -0.639 0.000 1.260 63 F HN 0.207 nan 8.300 nan 0.000 0.465 64 P HA 0.108 nan 4.420 nan 0.000 0.225 64 P C -0.333 176.845 177.300 -0.204 0.000 1.156 64 P CA 0.920 63.796 63.100 -0.373 0.000 0.787 64 P CB 0.687 32.437 31.700 0.083 0.000 0.802 65 A N -0.864 121.841 122.820 -0.191 0.000 2.586 65 A HA 0.516 4.844 4.320 0.013 0.000 0.291 65 A C -2.470 175.004 177.584 -0.183 0.000 1.062 65 A CA -0.939 51.025 52.037 -0.122 0.000 0.666 65 A CB 0.393 19.388 19.000 -0.009 0.000 1.281 65 A HN -0.292 nan 8.150 nan 0.000 0.421 66 P HA -0.071 nan 4.420 nan 0.000 0.219 66 P C 0.743 177.951 177.300 -0.153 0.000 1.150 66 P CA 1.424 64.392 63.100 -0.219 0.000 0.814 66 P CB 0.206 31.754 31.700 -0.253 0.000 0.787 67 E N 0.227 120.397 120.200 -0.051 0.000 2.267 67 E HA -0.101 4.257 4.350 0.013 0.000 0.197 67 E C 1.969 178.498 176.600 -0.119 0.000 0.998 67 E CA 1.368 57.746 56.400 -0.037 0.000 0.830 67 E CB -0.911 28.801 29.700 0.020 0.000 0.751 67 E HN 0.255 nan 8.360 nan 0.000 0.491 68 A N 0.224 122.931 122.820 -0.189 0.000 2.275 68 A HA 0.117 4.444 4.320 0.013 0.000 0.212 68 A C 0.653 177.881 177.584 -0.593 0.000 1.201 68 A CA -0.176 51.724 52.037 -0.229 0.000 0.843 68 A CB 0.349 19.314 19.000 -0.059 0.000 0.873 68 A HN 0.034 nan 8.150 nan 0.000 0.492 69 V N 3.260 122.706 119.914 -0.782 0.000 2.508 69 V HA 0.208 4.335 4.120 0.013 0.000 0.281 69 V C -2.047 173.711 176.094 -0.560 0.000 1.041 69 V CA -1.348 60.263 62.300 -1.149 0.000 1.016 69 V CB 0.670 31.935 31.823 -0.929 0.000 0.984 69 V HN 0.363 nan 8.190 nan 0.000 0.478 70 P HA 0.191 nan 4.420 nan 0.000 0.279 70 P C 0.652 177.901 177.300 -0.084 0.000 1.239 70 P CA -0.346 62.649 63.100 -0.175 0.000 0.789 70 P CB 1.125 32.772 31.700 -0.087 0.000 0.933 71 E N 1.810 121.968 120.200 -0.069 0.000 2.160 71 E HA -0.188 4.170 4.350 0.013 0.000 0.195 71 E C 1.561 178.132 176.600 -0.048 0.000 0.991 71 E CA 1.799 58.161 56.400 -0.064 0.000 0.810 71 E CB 0.022 29.688 29.700 -0.056 0.000 0.742 71 E HN 0.556 nan 8.360 nan 0.000 0.466 72 S N -0.084 115.608 115.700 -0.013 0.000 2.400 72 S HA -0.205 4.273 4.470 0.013 0.000 0.232 72 S C 1.705 176.311 174.600 0.010 0.000 1.025 72 S CA 1.065 59.263 58.200 -0.004 0.000 0.993 72 S CB -0.965 62.245 63.200 0.018 0.000 0.808 72 S HN 0.566 nan 8.310 nan 0.000 0.478 73 W N 2.297 123.506 121.300 -0.152 0.000 2.341 73 W HA -0.027 4.640 4.660 0.012 0.000 0.283 73 W C 1.625 178.036 176.519 -0.181 0.000 1.215 73 W CA 1.047 58.302 57.345 -0.150 0.000 1.211 73 W CB -0.383 28.968 29.460 -0.181 0.000 1.131 73 W HN 0.292 nan 8.180 nan 0.000 0.552 74 L N 0.099 121.056 121.223 -0.445 0.000 2.046 74 L HA -0.182 4.166 4.340 0.013 0.000 0.208 74 L C 2.355 178.988 176.870 -0.396 0.000 1.077 74 L CA 1.911 56.365 54.840 -0.643 0.000 0.747 74 L CB -0.735 40.993 42.059 -0.552 0.000 0.896 74 L HN -0.046 nan 8.230 nan 0.000 0.432 75 E N -1.077 118.980 120.200 -0.237 0.000 2.166 75 E HA -0.017 4.341 4.350 0.013 0.000 0.192 75 E C 0.249 176.776 176.600 -0.121 0.000 0.967 75 E CA 0.441 56.758 56.400 -0.139 0.000 0.840 75 E CB 0.548 30.200 29.700 -0.080 0.000 0.795 75 E HN 0.552 nan 8.360 nan 0.000 0.470 76 C N -0.940 118.294 119.300 -0.110 0.000 3.239 76 C HA 0.556 5.024 4.460 0.013 0.000 0.317 76 C C -0.460 174.520 174.990 -0.016 0.000 1.310 76 C CA -1.627 57.353 59.018 -0.064 0.000 1.371 76 C CB 0.766 28.488 27.740 -0.030 0.000 1.714 76 C HN 0.228 nan 8.230 nan 0.000 0.473 77 D N 0.790 121.197 120.400 0.011 0.000 2.571 77 D HA 0.240 4.887 4.640 0.013 0.000 0.231 77 D C -0.158 176.214 176.300 0.120 0.000 1.133 77 D CA 0.477 54.527 54.000 0.083 0.000 0.862 77 D CB 0.497 41.338 40.800 0.068 0.000 1.179 77 D HN 0.589 nan 8.370 nan 0.000 0.474 78 L N 6.119 127.458 121.223 0.194 0.000 2.319 78 L HA 0.233 4.580 4.340 0.013 0.000 0.280 78 L C -1.128 175.799 176.870 0.095 0.000 1.099 78 L CA -1.489 53.441 54.840 0.151 0.000 0.828 78 L CB 1.152 43.307 42.059 0.161 0.000 1.150 78 L HN 0.533 nan 8.230 nan 0.000 0.442 79 P HA -0.173 nan 4.420 nan 0.000 0.220 79 P C 0.871 178.197 177.300 0.042 0.000 1.148 79 P CA 0.995 64.125 63.100 0.050 0.000 0.803 79 P CB 0.092 31.815 31.700 0.038 0.000 0.782 80 E N -0.076 120.145 120.200 0.035 0.000 2.511 80 E HA 0.069 4.427 4.350 0.013 0.000 0.196 80 E C 0.792 177.394 176.600 0.003 0.000 1.066 80 E CA 0.008 56.415 56.400 0.012 0.000 0.871 80 E CB -0.660 29.032 29.700 -0.013 0.000 0.863 80 E HN 0.071 nan 8.360 nan 0.000 0.520 81 A N 1.235 124.066 122.820 0.019 0.000 2.327 81 A HA 0.205 4.533 4.320 0.013 0.000 0.255 81 A C -0.140 177.489 177.584 0.075 0.000 1.099 81 A CA -0.188 51.859 52.037 0.016 0.000 0.801 81 A CB 0.336 19.369 19.000 0.056 0.000 1.062 81 A HN 0.075 nan 8.150 nan 0.000 0.496 82 D N -0.626 119.851 120.400 0.127 0.000 2.374 82 D HA 0.503 5.151 4.640 0.013 0.000 0.239 82 D C -0.757 175.656 176.300 0.189 0.000 0.991 82 D CA -0.034 54.065 54.000 0.165 0.000 0.960 82 D CB 1.464 42.418 40.800 0.257 0.000 1.284 82 D HN 0.373 nan 8.370 nan 0.000 0.512 83 T N 0.619 115.267 114.554 0.156 0.000 2.733 83 T HA 0.486 4.844 4.350 0.013 0.000 0.294 83 T C 0.166 174.958 174.700 0.153 0.000 0.956 83 T CA -0.523 61.677 62.100 0.166 0.000 0.987 83 T CB 0.499 69.440 68.868 0.122 0.000 0.920 83 T HN 0.263 nan 8.240 nan 0.000 0.470 84 V N 1.463 121.501 119.914 0.206 0.000 3.102 84 V HA 0.790 4.918 4.120 0.013 0.000 0.312 84 V C -0.252 175.970 176.094 0.213 0.000 1.135 84 V CA -1.051 61.334 62.300 0.140 0.000 1.022 84 V CB 1.701 33.615 31.823 0.152 0.000 1.056 84 V HN 0.495 nan 8.190 nan 0.000 0.436 85 V N 2.211 122.229 119.914 0.173 0.000 2.583 85 V HA 0.463 4.591 4.120 0.013 0.000 0.287 85 V C 0.089 176.276 176.094 0.155 0.000 1.051 85 V CA -0.042 62.363 62.300 0.175 0.000 1.010 85 V CB 1.358 33.250 31.823 0.115 0.000 0.988 85 V HN 0.751 nan 8.190 nan 0.000 0.478 86 V N 7.168 127.101 119.914 0.033 0.000 2.540 86 V HA 0.451 4.578 4.120 0.013 0.000 0.302 86 V C -2.252 173.748 176.094 -0.156 0.000 1.035 86 V CA -1.703 60.472 62.300 -0.207 0.000 0.873 86 V CB 2.429 33.774 31.823 -0.797 0.000 0.992 86 V HN 0.766 nan 8.190 nan 0.000 0.428 87 P HA 0.430 nan 4.420 nan 0.000 0.278 87 P C -0.845 176.392 177.300 -0.105 0.000 1.238 87 P CA -0.114 62.880 63.100 -0.178 0.000 0.794 87 P CB 1.356 32.963 31.700 -0.155 0.000 0.955 88 S N 0.655 116.295 115.700 -0.099 0.000 2.587 88 S HA 0.425 4.902 4.470 0.013 0.000 0.269 88 S C -1.153 173.363 174.600 -0.139 0.000 1.154 88 S CA -1.025 57.093 58.200 -0.136 0.000 0.824 88 S CB 0.652 63.709 63.200 -0.239 0.000 1.118 88 S HN 0.348 nan 8.310 nan 0.000 0.462 89 N N 0.719 119.278 118.700 -0.234 0.000 2.421 89 N HA 0.459 5.206 4.740 0.013 0.000 0.285 89 N C 0.467 175.799 175.510 -0.296 0.000 1.027 89 N CA -0.835 52.052 53.050 -0.272 0.000 0.918 89 N CB 0.737 39.036 38.487 -0.314 0.000 1.152 89 N HN 0.875 nan 8.380 nan 0.000 0.485 90 W N 2.078 123.236 121.300 -0.237 0.000 2.525 90 W HA 0.002 4.670 4.660 0.013 0.000 0.259 90 W C 0.969 177.461 176.519 -0.044 0.000 1.253 90 W CA 0.513 57.716 57.345 -0.237 0.000 1.262 90 W CB -0.325 28.987 29.460 -0.246 0.000 1.122 90 W HN 0.519 nan 8.180 nan 0.000 0.607 91 Q N 0.587 120.370 119.800 -0.029 0.000 2.167 91 Q HA -0.111 4.237 4.340 0.013 0.000 0.202 91 Q C 2.158 178.108 176.000 -0.083 0.000 0.970 91 Q CA 1.775 57.560 55.803 -0.029 0.000 0.855 91 Q CB -0.556 28.039 28.738 -0.239 0.000 0.911 91 Q HN 0.248 nan 8.270 nan 0.000 0.438 92 M N -0.774 118.735 119.600 -0.152 0.000 2.549 92 M HA -0.076 4.412 4.480 0.013 0.000 0.260 92 M C 0.653 177.013 176.300 0.100 0.000 1.076 92 M CA 1.434 56.670 55.300 -0.107 0.000 1.090 92 M CB -0.601 31.916 32.600 -0.139 0.000 1.418 92 M HN 0.374 nan 8.290 nan 0.000 0.486 93 H N -0.953 118.152 119.070 0.057 0.000 2.549 93 H HA 0.294 4.858 4.556 0.013 0.000 0.279 93 H C 1.214 176.468 175.328 -0.124 0.000 1.018 93 H CA 0.076 56.147 56.048 0.037 0.000 1.175 93 H CB 0.452 30.353 29.762 0.232 0.000 1.485 93 H HN 0.549 nan 8.280 nan 0.000 0.543 94 G N 0.654 109.481 108.800 0.045 0.000 2.143 94 G HA2 -0.368 3.600 3.960 0.013 0.000 0.249 94 G HA3 -0.368 3.600 3.960 0.013 0.000 0.249 94 G C 0.371 175.150 174.900 -0.202 0.000 0.981 94 G CA 0.379 45.422 45.100 -0.097 0.000 0.665 94 G HN 0.478 nan 8.290 nan 0.000 0.528 95 Y N 1.513 121.823 120.300 0.017 0.000 2.314 95 Y HA 0.275 4.833 4.550 0.013 0.000 0.293 95 Y C 1.649 177.301 175.900 -0.413 0.000 1.129 95 Y CA 1.454 59.436 58.100 -0.196 0.000 1.201 95 Y CB 0.245 38.655 38.460 -0.083 0.000 0.999 95 Y HN 0.640 nan 8.280 nan 0.000 0.541 96 D N -1.864 118.594 120.400 0.097 0.000 2.692 96 D HA 0.484 5.132 4.640 0.013 0.000 0.303 96 D C -1.193 175.179 176.300 0.120 0.000 1.278 96 D CA -0.908 53.136 54.000 0.073 0.000 0.852 96 D CB 0.745 41.698 40.800 0.255 0.000 1.375 96 D HN -0.069 nan 8.370 nan 0.000 0.453 97 A N 0.120 123.019 122.820 0.132 0.000 2.331 97 A HA 0.678 5.005 4.320 0.013 0.000 0.283 97 A C -2.283 175.318 177.584 0.027 0.000 1.142 97 A CA -1.150 50.938 52.037 0.085 0.000 0.812 97 A CB 0.059 19.179 19.000 0.199 0.000 1.074 97 A HN 0.540 nan 8.150 nan 0.000 0.497 98 P HA 0.402 nan 4.420 nan 0.000 0.275 98 P C -0.891 176.565 177.300 0.261 0.000 1.228 98 P CA 0.104 63.134 63.100 -0.117 0.000 0.786 98 P CB 0.812 32.174 31.700 -0.563 0.000 0.927 99 I N 2.375 123.205 120.570 0.433 0.000 2.465 99 I HA 0.238 4.416 4.170 0.013 0.000 0.291 99 I C -0.497 175.825 176.117 0.341 0.000 1.014 99 I CA -0.994 60.559 61.300 0.422 0.000 1.093 99 I CB 1.685 39.863 38.000 0.297 0.000 1.267 99 I HN 0.294 nan 8.210 nan 0.000 0.431 100 Y N 6.276 126.528 120.300 -0.081 0.000 2.593 100 Y HA 0.468 5.025 4.550 0.012 0.000 0.331 100 Y C -0.193 175.548 175.900 -0.265 0.000 0.986 100 Y CA -0.403 57.355 58.100 -0.571 0.000 1.262 100 Y CB 0.948 38.521 38.460 -1.479 0.000 1.098 100 Y HN 0.530 nan 8.280 nan 0.000 0.506 101 T N 4.900 118.940 114.554 -0.856 0.000 2.863 101 T HA 0.265 4.623 4.350 0.013 0.000 0.285 101 T C 0.264 174.480 174.700 -0.806 0.000 1.009 101 T CA -0.576 61.056 62.100 -0.781 0.000 0.989 101 T CB 1.127 69.775 68.868 -0.366 0.000 1.004 101 T HN 0.757 nan 8.240 nan 0.000 0.455 102 N N 2.650 120.934 118.700 -0.692 0.000 2.349 102 N HA 0.062 4.810 4.740 0.013 0.000 0.202 102 N C 1.580 176.823 175.510 -0.445 0.000 1.041 102 N CA 1.434 54.207 53.050 -0.461 0.000 0.970 102 N CB -0.653 37.572 38.487 -0.437 0.000 1.173 102 N HN 0.387 nan 8.380 nan 0.000 0.493 103 V N 0.483 120.067 119.914 -0.550 0.000 2.374 103 V HA 0.096 4.223 4.120 0.013 0.000 0.241 103 V C 0.426 176.220 176.094 -0.501 0.000 1.034 103 V CA 0.975 62.880 62.300 -0.660 0.000 1.037 103 V CB -0.821 30.512 31.823 -0.817 0.000 0.682 103 V HN 0.339 nan 8.190 nan 0.000 0.463 104 T N 1.107 115.430 114.554 -0.384 0.000 2.871 104 T HA 0.119 4.477 4.350 0.013 0.000 0.296 104 T C -0.337 174.235 174.700 -0.214 0.000 0.998 104 T CA 0.281 62.232 62.100 -0.249 0.000 1.162 104 T CB -0.277 68.474 68.868 -0.194 0.000 0.947 104 T HN 0.175 nan 8.240 nan 0.000 0.536 105 Y N 4.719 124.927 120.300 -0.153 0.000 2.550 105 Y HA 0.114 4.672 4.550 0.012 0.000 0.343 105 Y C -0.764 175.015 175.900 -0.202 0.000 1.245 105 Y CA -1.635 56.365 58.100 -0.167 0.000 1.462 105 Y CB 0.387 38.744 38.460 -0.173 0.000 1.340 105 Y HN 0.509 nan 8.280 nan 0.000 0.604 106 P HA -0.004 nan 4.420 nan 0.000 0.241 106 P C -0.339 176.746 177.300 -0.359 0.000 1.191 106 P CA 1.080 64.078 63.100 -0.170 0.000 0.771 106 P CB 0.015 31.659 31.700 -0.095 0.000 0.929 107 I N -5.313 115.024 120.570 -0.388 0.000 3.002 107 I HA 0.500 4.677 4.170 0.013 0.000 0.310 107 I C -0.514 175.481 176.117 -0.204 0.000 1.087 107 I CA -1.241 59.808 61.300 -0.418 0.000 1.017 107 I CB 1.657 39.262 38.000 -0.659 0.000 1.226 107 I HN -0.471 nan 8.210 nan 0.000 0.443 108 T N 2.850 117.322 114.554 -0.136 0.000 2.908 108 T HA 0.135 4.492 4.350 0.013 0.000 0.301 108 T C 0.198 174.885 174.700 -0.021 0.000 1.019 108 T CA -0.185 61.886 62.100 -0.049 0.000 1.152 108 T CB 0.464 69.325 68.868 -0.012 0.000 0.966 108 T HN 0.380 nan 8.240 nan 0.000 0.540 109 V N 5.184 125.100 119.914 0.004 0.000 2.381 109 V HA 0.212 4.339 4.120 0.013 0.000 0.257 109 V C 0.741 176.880 176.094 0.074 0.000 1.057 109 V CA -0.180 62.140 62.300 0.034 0.000 1.013 109 V CB -0.276 31.554 31.823 0.011 0.000 1.069 109 V HN 0.839 nan 8.190 nan 0.000 0.484 110 N N 5.831 124.629 118.700 0.163 0.000 2.666 110 N HA 0.252 4.999 4.740 0.013 0.000 0.253 110 N C -2.924 172.655 175.510 0.114 0.000 1.621 110 N CA -1.294 51.841 53.050 0.141 0.000 0.785 110 N CB 1.389 39.996 38.487 0.201 0.000 1.332 110 N HN 0.278 nan 8.380 nan 0.000 0.514 111 P HA 0.170 nan 4.420 nan 0.000 0.265 111 P C -2.225 174.900 177.300 -0.291 0.000 1.193 111 P CA -0.621 62.093 63.100 -0.643 0.000 0.765 111 P CB 0.555 31.742 31.700 -0.854 0.000 0.823 112 P HA 0.230 nan 4.420 nan 0.000 0.266 112 P C -0.454 176.702 177.300 -0.241 0.000 1.561 112 P CA -0.343 62.544 63.100 -0.355 0.000 1.089 112 P CB 0.079 31.535 31.700 -0.407 0.000 1.534 113 F N 1.101 121.157 119.950 0.177 0.000 2.380 113 F HA 0.314 4.849 4.527 0.013 0.000 0.325 113 F C 1.375 177.338 175.800 0.273 0.000 1.136 113 F CA -0.525 57.587 58.000 0.188 0.000 1.171 113 F CB 0.732 39.793 39.000 0.101 0.000 1.230 113 F HN -0.194 nan 8.300 nan 0.000 0.554 114 V N -1.187 118.995 119.914 0.447 0.000 3.141 114 V HA 0.701 4.828 4.120 0.013 0.000 0.312 114 V C -2.804 173.455 176.094 0.275 0.000 1.157 114 V CA -2.870 59.619 62.300 0.315 0.000 1.041 114 V CB 1.400 33.454 31.823 0.385 0.000 1.071 114 V HN 0.487 nan 8.190 nan 0.000 0.441 115 P HA 0.187 nan 4.420 nan 0.000 0.267 115 P C 1.101 178.540 177.300 0.233 0.000 1.200 115 P CA 0.623 63.818 63.100 0.158 0.000 0.772 115 P CB 0.542 32.302 31.700 0.099 0.000 0.855 116 T N -1.534 113.130 114.554 0.183 0.000 2.821 116 T HA -0.112 4.245 4.350 0.013 0.000 0.267 116 T C 0.520 175.332 174.700 0.187 0.000 1.046 116 T CA 0.889 63.103 62.100 0.190 0.000 1.139 116 T CB -0.615 68.332 68.868 0.132 0.000 0.871 116 T HN 0.405 nan 8.240 nan 0.000 0.454 117 E N 2.606 122.915 120.200 0.181 0.000 2.003 117 E HA 0.253 4.611 4.350 0.013 0.000 0.279 117 E C -0.754 176.006 176.600 0.267 0.000 1.132 117 E CA -0.359 56.155 56.400 0.189 0.000 0.888 117 E CB 0.170 29.988 29.700 0.196 0.000 1.056 117 E HN 0.268 nan 8.360 nan 0.000 0.399 118 N N 4.592 123.418 118.700 0.210 0.000 2.576 118 N HA 0.240 4.988 4.740 0.013 0.000 0.269 118 N C -2.872 172.663 175.510 0.042 0.000 1.058 118 N CA -2.479 50.722 53.050 0.253 0.000 0.860 118 N CB 1.207 39.824 38.487 0.215 0.000 1.249 118 N HN 0.047 nan 8.380 nan 0.000 0.525 119 P HA 0.020 nan 4.420 nan 0.000 0.261 119 P C -0.836 176.355 177.300 -0.183 0.000 1.173 119 P CA 0.535 63.561 63.100 -0.122 0.000 0.760 119 P CB 0.467 32.408 31.700 0.401 0.000 0.783 120 T N 2.672 116.833 114.554 -0.655 0.000 2.841 120 T HA 0.570 4.928 4.350 0.013 0.000 0.285 120 T C 0.155 174.311 174.700 -0.906 0.000 0.991 120 T CA -0.572 61.220 62.100 -0.514 0.000 0.966 120 T CB 1.598 70.222 68.868 -0.407 0.000 0.962 120 T HN 0.334 nan 8.240 nan 0.000 0.438 121 G N 1.117 109.476 108.800 -0.735 0.000 2.384 121 G HA2 0.482 4.449 3.960 0.013 0.000 0.316 121 G HA3 0.482 4.449 3.960 0.013 0.000 0.316 121 G C -0.259 174.428 174.900 -0.354 0.000 1.160 121 G CA -0.350 44.254 45.100 -0.827 0.000 0.936 121 G HN 0.874 nan 8.290 nan 0.000 0.455 122 C N 3.258 122.093 119.300 -0.774 0.000 2.223 122 C HA 0.485 4.953 4.460 0.013 0.000 0.324 122 C C -0.525 174.417 174.990 -0.081 0.000 1.196 122 C CA -0.874 57.814 59.018 -0.551 0.000 1.628 122 C CB -1.641 25.284 27.740 -1.359 0.000 2.229 122 C HN 0.632 nan 8.230 nan 0.000 0.486 123 Y N 1.972 122.570 120.300 0.496 0.000 2.420 123 Y HA 0.653 5.211 4.550 0.013 0.000 0.334 123 Y C 0.739 177.122 175.900 0.806 0.000 1.094 123 Y CA -0.171 58.329 58.100 0.666 0.000 1.126 123 Y CB 1.626 40.436 38.460 0.583 0.000 1.217 123 Y HN 0.685 nan 8.280 nan 0.000 0.462 124 S N 2.295 118.527 115.700 0.888 0.000 2.570 124 S HA 0.832 5.310 4.470 0.013 0.000 0.270 124 S C -1.993 172.710 174.600 0.173 0.000 1.149 124 S CA -0.776 57.724 58.200 0.499 0.000 0.837 124 S CB 2.177 65.546 63.200 0.281 0.000 1.124 124 S HN 0.623 nan 8.310 nan 0.000 0.465 125 L N 0.717 121.845 121.223 -0.158 0.000 2.505 125 L HA 0.724 5.072 4.340 0.013 0.000 0.259 125 L C -1.006 175.785 176.870 -0.133 0.000 0.952 125 L CA 0.115 54.701 54.840 -0.423 0.000 0.840 125 L CB 2.239 43.516 42.059 -1.303 0.000 1.358 125 L HN 0.922 nan 8.230 nan 0.000 0.409 126 T N 5.011 119.516 114.554 -0.081 0.000 2.799 126 T HA 0.759 5.116 4.350 0.013 0.000 0.286 126 T C -0.782 173.953 174.700 0.058 0.000 0.973 126 T CA 0.066 62.158 62.100 -0.013 0.000 1.035 126 T CB 0.364 69.203 68.868 -0.047 0.000 0.932 126 T HN 0.482 nan 8.240 nan 0.000 0.469 127 F N 1.187 121.061 119.950 -0.128 0.000 2.745 127 F HA 0.809 5.344 4.527 0.013 0.000 0.316 127 F C -1.065 174.684 175.800 -0.086 0.000 1.155 127 F CA -1.446 56.483 58.000 -0.117 0.000 0.937 127 F CB 1.365 40.287 39.000 -0.130 0.000 1.361 127 F HN 0.510 nan 8.300 nan 0.000 0.472 128 N N -0.190 118.442 118.700 -0.113 0.000 2.697 128 N HA 0.717 5.465 4.740 0.013 0.000 0.272 128 N C -1.513 173.964 175.510 -0.055 0.000 1.381 128 N CA -0.603 52.307 53.050 -0.234 0.000 0.797 128 N CB 2.015 40.370 38.487 -0.221 0.000 1.523 128 N HN 0.884 nan 8.380 nan 0.000 0.518 129 V N -3.969 115.873 119.914 -0.119 0.000 3.074 129 V HA 0.576 4.704 4.120 0.013 0.000 0.314 129 V C -0.254 175.643 176.094 -0.328 0.000 1.117 129 V CA -1.059 61.106 62.300 -0.224 0.000 1.014 129 V CB 1.745 33.559 31.823 -0.015 0.000 1.057 129 V HN 0.850 nan 8.190 nan 0.000 0.438 130 D N 0.983 120.995 120.400 -0.646 0.000 2.472 130 D HA -0.047 4.601 4.640 0.013 0.000 0.237 130 D C 1.019 177.171 176.300 -0.246 0.000 1.141 130 D CA 0.511 54.215 54.000 -0.492 0.000 0.875 130 D CB 1.712 42.043 40.800 -0.783 0.000 1.192 130 D HN 0.929 nan 8.370 nan 0.000 0.450 131 E N 2.184 122.307 120.200 -0.127 0.000 2.097 131 E HA -0.250 4.107 4.350 0.013 0.000 0.196 131 E C 1.800 178.415 176.600 0.024 0.000 1.000 131 E CA 2.308 58.684 56.400 -0.039 0.000 0.804 131 E CB -0.423 29.263 29.700 -0.024 0.000 0.740 131 E HN 0.450 nan 8.360 nan 0.000 0.454 132 S N -0.944 114.781 115.700 0.043 0.000 2.419 132 S HA -0.145 4.333 4.470 0.013 0.000 0.233 132 S C 1.690 176.425 174.600 0.226 0.000 1.016 132 S CA 0.983 59.269 58.200 0.143 0.000 0.974 132 S CB -0.810 62.496 63.200 0.176 0.000 0.786 132 S HN 0.429 nan 8.310 nan 0.000 0.492 133 W N 1.555 122.726 121.300 -0.215 0.000 2.467 133 W HA 0.363 5.031 4.660 0.013 0.000 0.275 133 W C 1.939 178.412 176.519 -0.077 0.000 1.239 133 W CA -0.446 56.689 57.345 -0.350 0.000 1.266 133 W CB -0.904 28.295 29.460 -0.434 0.000 1.112 133 W HN 0.331 nan 8.180 nan 0.000 0.576 134 L N -0.362 120.969 121.223 0.180 0.000 2.341 134 L HA -0.069 4.278 4.340 0.013 0.000 0.214 134 L C 2.349 179.284 176.870 0.109 0.000 1.115 134 L CA 0.776 55.691 54.840 0.126 0.000 0.820 134 L CB -0.671 41.430 42.059 0.071 0.000 0.944 134 L HN -0.025 nan 8.230 nan 0.000 0.452 135 Q N -0.256 119.612 119.800 0.114 0.000 2.016 135 Q HA -0.022 4.326 4.340 0.013 0.000 0.200 135 Q C 0.316 176.382 176.000 0.109 0.000 0.978 135 Q CA 1.028 56.890 55.803 0.098 0.000 0.833 135 Q CB 0.376 29.171 28.738 0.094 0.000 0.895 135 Q HN 0.358 nan 8.270 nan 0.000 0.427 136 E N -2.146 118.148 120.200 0.156 0.000 2.456 136 E HA 0.467 4.825 4.350 0.013 0.000 0.278 136 E C -0.669 176.061 176.600 0.217 0.000 1.034 136 E CA 0.120 56.608 56.400 0.146 0.000 0.846 136 E CB 1.844 31.612 29.700 0.114 0.000 1.460 136 E HN 0.268 nan 8.360 nan 0.000 0.463 137 G N 1.035 109.885 108.800 0.083 0.000 2.746 137 G HA2 -0.215 3.753 3.960 0.013 0.000 0.685 137 G HA3 -0.215 3.753 3.960 0.013 0.000 0.685 137 G C -0.708 174.171 174.900 -0.035 0.000 1.350 137 G CA -0.153 44.914 45.100 -0.055 0.000 0.837 137 G HN 0.420 nan 8.290 nan 0.000 0.564 138 Q N -0.157 119.525 119.800 -0.196 0.000 2.307 138 Q HA 0.618 4.965 4.340 0.013 0.000 0.262 138 Q C -0.593 175.369 176.000 -0.062 0.000 0.961 138 Q CA -0.434 55.323 55.803 -0.078 0.000 0.882 138 Q CB 1.038 29.715 28.738 -0.102 0.000 1.264 138 Q HN 0.574 nan 8.270 nan 0.000 0.446 139 T N 5.540 120.138 114.554 0.072 0.000 2.756 139 T HA 0.428 4.785 4.350 0.013 0.000 0.290 139 T C -0.525 174.232 174.700 0.095 0.000 0.985 139 T CA -0.626 61.519 62.100 0.075 0.000 0.955 139 T CB 0.432 69.425 68.868 0.209 0.000 0.930 139 T HN 0.627 nan 8.240 nan 0.000 0.451 140 R N 2.909 123.439 120.500 0.050 0.000 2.873 140 R HA 0.784 5.132 4.340 0.013 0.000 0.264 140 R C -0.969 175.376 176.300 0.074 0.000 1.026 140 R CA -1.019 55.131 56.100 0.083 0.000 1.002 140 R CB 1.523 31.858 30.300 0.058 0.000 1.174 140 R HN 0.537 nan 8.270 nan 0.000 0.488 141 I N 1.839 122.468 120.570 0.098 0.000 2.493 141 I HA 0.444 4.622 4.170 0.013 0.000 0.298 141 I C -1.107 175.024 176.117 0.023 0.000 0.998 141 I CA -1.299 60.008 61.300 0.011 0.000 1.137 141 I CB 1.413 39.419 38.000 0.009 0.000 1.310 141 I HN 0.595 nan 8.210 nan 0.000 0.445 142 I N 7.284 127.770 120.570 -0.140 0.000 2.418 142 I HA 0.294 4.471 4.170 0.013 0.000 0.287 142 I C -1.286 174.652 176.117 -0.298 0.000 1.008 142 I CA -0.417 60.822 61.300 -0.102 0.000 1.104 142 I CB 1.570 39.524 38.000 -0.076 0.000 1.264 142 I HN 0.403 nan 8.210 nan 0.000 0.438 143 F N 4.557 124.491 119.950 -0.026 0.000 2.308 143 F HA 0.267 4.801 4.527 0.012 0.000 0.370 143 F C 1.323 177.018 175.800 -0.175 0.000 1.100 143 F CA -0.479 57.439 58.000 -0.137 0.000 1.108 143 F CB 0.672 39.553 39.000 -0.198 0.000 1.293 143 F HN 0.461 nan 8.300 nan 0.000 0.478 144 D N 2.320 122.639 120.400 -0.136 0.000 2.264 144 D HA 0.026 4.674 4.640 0.013 0.000 0.208 144 D C 1.013 177.154 176.300 -0.265 0.000 0.966 144 D CA 0.936 54.812 54.000 -0.207 0.000 0.864 144 D CB 0.400 41.019 40.800 -0.302 0.000 0.933 144 D HN 0.630 nan 8.370 nan 0.000 0.499 145 G N -0.436 108.150 108.800 -0.356 0.000 2.635 145 G HA2 0.428 4.396 3.960 0.013 0.000 0.295 145 G HA3 0.428 4.396 3.960 0.013 0.000 0.295 145 G C -1.502 173.148 174.900 -0.416 0.000 1.359 145 G CA -0.432 44.361 45.100 -0.511 0.000 1.232 145 G HN -0.053 nan 8.290 nan 0.000 0.597 146 V N 2.487 122.358 119.914 -0.072 0.000 2.525 146 V HA 0.546 4.674 4.120 0.013 0.000 0.299 146 V C -0.831 175.355 176.094 0.153 0.000 1.034 146 V CA -1.142 61.127 62.300 -0.052 0.000 0.863 146 V CB 1.974 33.541 31.823 -0.427 0.000 0.999 146 V HN 0.727 nan 8.190 nan 0.000 0.423 147 N N 2.452 121.229 118.700 0.128 0.000 2.446 147 N HA 0.331 5.079 4.740 0.013 0.000 0.265 147 N C 0.603 176.045 175.510 -0.113 0.000 0.975 147 N CA 0.113 53.151 53.050 -0.019 0.000 0.928 147 N CB 2.226 40.556 38.487 -0.261 0.000 1.160 147 N HN 0.652 nan 8.380 nan 0.000 0.495 148 S N 1.945 117.615 115.700 -0.049 0.000 2.512 148 S HA 0.590 5.067 4.470 0.013 0.000 0.216 148 S C 0.361 175.016 174.600 0.092 0.000 1.006 148 S CA 0.153 58.375 58.200 0.037 0.000 0.915 148 S CB 0.268 63.509 63.200 0.069 0.000 0.824 148 S HN 0.706 nan 8.310 nan 0.000 0.497 149 A N 0.738 123.620 122.820 0.103 0.000 2.601 149 A HA 0.762 5.090 4.320 0.013 0.000 0.291 149 A C -1.398 176.244 177.584 0.096 0.000 1.075 149 A CA -0.972 51.075 52.037 0.016 0.000 0.671 149 A CB 0.715 19.763 19.000 0.080 0.000 1.277 149 A HN 1.098 nan 8.150 nan 0.000 0.417 150 F N -0.926 118.800 119.950 -0.373 0.000 2.719 150 F HA 0.738 5.273 4.527 0.012 0.000 0.309 150 F C -1.151 174.493 175.800 -0.260 0.000 1.138 150 F CA -0.811 57.072 58.000 -0.196 0.000 0.943 150 F CB 1.058 39.941 39.000 -0.195 0.000 1.304 150 F HN 0.638 nan 8.300 nan 0.000 0.445 151 H N 1.774 120.979 119.070 0.225 0.000 2.499 151 H HA 0.733 5.297 4.556 0.013 0.000 0.340 151 H C -1.414 173.871 175.328 -0.071 0.000 1.148 151 H CA -0.710 55.340 56.048 0.005 0.000 1.215 151 H CB 2.470 32.221 29.762 -0.020 0.000 1.529 151 H HN 0.775 nan 8.280 nan 0.000 0.510 152 L N 2.812 123.813 121.223 -0.369 0.000 2.386 152 L HA 0.423 4.770 4.340 0.013 0.000 0.271 152 L C -1.644 174.937 176.870 -0.483 0.000 0.993 152 L CA -0.534 54.158 54.840 -0.247 0.000 0.819 152 L CB 1.538 43.301 42.059 -0.493 0.000 1.294 152 L HN 0.525 nan 8.230 nan 0.000 0.414 153 W N 4.235 125.493 121.300 -0.070 0.000 2.844 153 W HA 0.612 5.280 4.660 0.013 0.000 0.340 153 W C -1.182 175.270 176.519 -0.111 0.000 1.093 153 W CA -0.814 56.475 57.345 -0.092 0.000 1.212 153 W CB 2.077 31.526 29.460 -0.019 0.000 1.422 153 W HN 0.623 nan 8.180 nan 0.000 0.515 154 C N 4.240 123.606 119.300 0.109 0.000 2.482 154 C HA 0.311 4.778 4.460 0.013 0.000 0.317 154 C C 0.305 175.423 174.990 0.213 0.000 1.197 154 C CA -0.350 58.742 59.018 0.122 0.000 1.432 154 C CB -0.155 27.592 27.740 0.012 0.000 2.062 154 C HN 0.816 nan 8.230 nan 0.000 0.471 155 N N 3.437 122.224 118.700 0.144 0.000 2.716 155 N HA -0.197 4.551 4.740 0.013 0.000 0.250 155 N C 0.972 176.551 175.510 0.114 0.000 1.033 155 N CA 1.983 55.092 53.050 0.098 0.000 0.727 155 N CB -1.281 37.275 38.487 0.115 0.000 0.950 155 N HN 1.838 nan 8.380 nan 0.000 0.541 156 G N -0.808 108.051 108.800 0.099 0.000 2.179 156 G HA2 -0.380 3.587 3.960 0.013 0.000 0.260 156 G HA3 -0.380 3.587 3.960 0.013 0.000 0.260 156 G C 0.065 175.128 174.900 0.272 0.000 0.977 156 G CA 0.668 45.816 45.100 0.080 0.000 0.641 156 G HN 0.730 nan 8.290 nan 0.000 0.533 157 R N -0.610 120.121 120.500 0.385 0.000 2.393 157 R HA 0.486 4.833 4.340 0.013 0.000 0.310 157 R C -0.021 176.603 176.300 0.540 0.000 0.968 157 R CA -1.080 55.321 56.100 0.501 0.000 0.867 157 R CB 0.516 31.123 30.300 0.511 0.000 1.124 157 R HN 0.215 nan 8.270 nan 0.000 0.450 158 W N 5.168 126.647 121.300 0.299 0.000 2.251 158 W HA 0.109 4.776 4.660 0.012 0.000 0.327 158 W C -0.214 176.229 176.519 -0.127 0.000 1.361 158 W CA 0.013 57.247 57.345 -0.185 0.000 1.234 158 W CB 0.820 30.144 29.460 -0.226 0.000 1.212 158 W HN 0.409 nan 8.180 nan 0.000 0.557 159 V N 5.149 124.362 119.914 -1.168 0.000 2.627 159 V HA 0.548 4.675 4.120 0.013 0.000 0.239 159 V C 1.063 176.170 176.094 -1.644 0.000 1.077 159 V CA 1.024 62.600 62.300 -1.207 0.000 1.103 159 V CB -0.456 30.704 31.823 -1.104 0.000 0.802 159 V HN 0.831 nan 8.190 nan 0.000 0.482 160 G N -1.768 105.840 108.800 -1.988 0.000 2.340 160 G HA2 0.460 4.427 3.960 0.013 0.000 0.299 160 G HA3 0.460 4.427 3.960 0.013 0.000 0.299 160 G C -2.460 171.997 174.900 -0.738 0.000 1.291 160 G CA -0.287 44.012 45.100 -1.335 0.000 0.841 160 G HN 0.017 nan 8.290 nan 0.000 0.500 161 Y N -0.485 119.578 120.300 -0.394 0.000 2.562 161 Y HA 0.718 5.275 4.550 0.013 0.000 0.345 161 Y C -0.033 175.649 175.900 -0.363 0.000 1.045 161 Y CA -0.045 57.769 58.100 -0.477 0.000 1.028 161 Y CB 2.292 40.637 38.460 -0.191 0.000 1.297 161 Y HN 1.223 nan 8.280 nan 0.000 0.463 162 G N 3.669 111.621 108.800 -1.414 0.000 2.696 162 G HA2 0.590 4.557 3.960 0.013 0.000 0.295 162 G HA3 0.590 4.557 3.960 0.013 0.000 0.295 162 G C -2.114 172.301 174.900 -0.809 0.000 1.398 162 G CA -0.877 43.715 45.100 -0.847 0.000 0.920 162 G HN 0.611 nan 8.290 nan 0.000 0.492 163 Q N -0.207 119.391 119.800 -0.338 0.000 2.587 163 Q HA 0.589 4.936 4.340 0.013 0.000 0.293 163 Q C -1.411 174.587 176.000 -0.003 0.000 1.083 163 Q CA -0.853 54.883 55.803 -0.112 0.000 0.792 163 Q CB 2.751 31.488 28.738 -0.002 0.000 1.484 163 Q HN 0.643 nan 8.270 nan 0.000 0.446 164 D N -0.135 120.302 120.400 0.061 0.000 4.303 164 D HA -0.096 4.552 4.640 0.013 0.000 0.230 164 D C -0.551 175.813 176.300 0.108 0.000 1.172 164 D CA 0.384 54.436 54.000 0.086 0.000 1.001 164 D CB -0.651 40.184 40.800 0.057 0.000 0.641 164 D HN 0.525 nan 8.370 nan 0.000 0.296 165 S N 3.008 118.788 115.700 0.132 0.000 2.547 165 S HA -0.050 4.428 4.470 0.013 0.000 0.235 165 S C 1.545 176.283 174.600 0.231 0.000 0.980 165 S CA 0.531 58.839 58.200 0.180 0.000 0.941 165 S CB 0.244 63.516 63.200 0.119 0.000 0.763 165 S HN 0.432 nan 8.310 nan 0.000 0.532 166 R N 0.083 120.680 120.500 0.162 0.000 2.565 166 R HA 0.422 4.770 4.340 0.013 0.000 0.347 166 R C -0.447 175.916 176.300 0.106 0.000 1.010 166 R CA 0.057 56.254 56.100 0.162 0.000 1.126 166 R CB 0.234 30.659 30.300 0.208 0.000 1.331 166 R HN 0.314 nan 8.270 nan 0.000 0.552 167 L N 1.644 122.900 121.223 0.056 0.000 2.371 167 L HA 0.521 4.869 4.340 0.013 0.000 0.262 167 L C -2.336 174.514 176.870 -0.033 0.000 1.006 167 L CA -2.281 52.560 54.840 0.001 0.000 0.818 167 L CB 2.855 44.905 42.059 -0.014 0.000 1.354 167 L HN -0.206 nan 8.230 nan 0.000 0.415 168 P HA 0.093 nan 4.420 nan 0.000 0.271 168 P C -0.973 176.298 177.300 -0.049 0.000 1.216 168 P CA -0.188 62.867 63.100 -0.075 0.000 0.776 168 P CB 1.137 32.755 31.700 -0.138 0.000 0.881 169 S N 1.695 117.428 115.700 0.055 0.000 2.478 169 S HA 0.342 4.819 4.470 0.013 0.000 0.312 169 S C -0.458 174.097 174.600 -0.074 0.000 1.094 169 S CA -0.603 57.583 58.200 -0.023 0.000 1.081 169 S CB 0.980 64.328 63.200 0.246 0.000 1.007 169 S HN 0.377 nan 8.310 nan 0.000 0.475 170 E N 1.950 121.885 120.200 -0.442 0.000 2.266 170 E HA 0.595 4.952 4.350 0.013 0.000 0.268 170 E C -1.482 174.700 176.600 -0.697 0.000 0.879 170 E CA -0.598 55.617 56.400 -0.309 0.000 0.762 170 E CB 1.782 31.424 29.700 -0.097 0.000 1.199 170 E HN 0.407 nan 8.360 nan 0.000 0.422 171 F N 0.481 120.486 119.950 0.091 0.000 2.588 171 F HA 0.210 4.745 4.527 0.013 0.000 0.310 171 F C -0.144 175.678 175.800 0.036 0.000 1.082 171 F CA -1.145 56.872 58.000 0.029 0.000 0.929 171 F CB 1.646 40.633 39.000 -0.021 0.000 1.254 171 F HN 0.301 nan 8.300 nan 0.000 0.455 172 D N 2.569 123.097 120.400 0.212 0.000 2.325 172 D HA 0.237 4.885 4.640 0.013 0.000 0.251 172 D C 0.271 176.717 176.300 0.242 0.000 1.196 172 D CA 0.276 54.384 54.000 0.180 0.000 0.866 172 D CB 0.940 41.826 40.800 0.145 0.000 1.101 172 D HN 0.565 nan 8.370 nan 0.000 0.476 173 L N 2.798 124.166 121.223 0.241 0.000 2.640 173 L HA 0.030 4.378 4.340 0.013 0.000 0.230 173 L C 2.046 179.162 176.870 0.409 0.000 1.123 173 L CA -0.145 54.894 54.840 0.331 0.000 0.900 173 L CB 0.008 42.220 42.059 0.255 0.000 1.146 173 L HN 0.305 nan 8.230 nan 0.000 0.484 174 S N 1.452 117.325 115.700 0.288 0.000 2.381 174 S HA -0.296 4.182 4.470 0.013 0.000 0.230 174 S C 2.031 176.741 174.600 0.184 0.000 1.052 174 S CA 1.896 60.224 58.200 0.215 0.000 1.068 174 S CB -0.205 63.079 63.200 0.141 0.000 0.918 174 S HN 0.568 nan 8.310 nan 0.000 0.448 175 A N -0.457 122.448 122.820 0.142 0.000 2.238 175 A HA 0.313 4.641 4.320 0.013 0.000 0.208 175 A C 1.373 178.847 177.584 -0.184 0.000 1.177 175 A CA 0.339 52.337 52.037 -0.064 0.000 0.804 175 A CB -0.474 18.399 19.000 -0.212 0.000 0.823 175 A HN 0.473 nan 8.150 nan 0.000 0.482 176 F N -0.375 119.625 119.950 0.084 0.000 2.714 176 F HA 0.319 4.854 4.527 0.013 0.000 0.294 176 F C 0.767 176.615 175.800 0.080 0.000 1.120 176 F CA -0.212 57.838 58.000 0.084 0.000 1.398 176 F CB -0.116 38.946 39.000 0.102 0.000 1.120 176 F HN -0.024 nan 8.300 nan 0.000 0.589 177 L N 1.859 123.244 121.223 0.269 0.000 2.467 177 L HA 0.283 4.630 4.340 0.013 0.000 0.270 177 L C 0.421 177.341 176.870 0.084 0.000 1.205 177 L CA -0.043 54.904 54.840 0.178 0.000 0.828 177 L CB 0.482 42.661 42.059 0.200 0.000 1.101 177 L HN 0.148 nan 8.230 nan 0.000 0.479 178 R N 1.686 122.196 120.500 0.017 0.000 2.799 178 R HA 0.801 5.149 4.340 0.013 0.000 0.270 178 R C -1.174 175.099 176.300 -0.046 0.000 1.010 178 R CA -0.941 55.153 56.100 -0.010 0.000 0.916 178 R CB 1.407 31.698 30.300 -0.016 0.000 1.228 178 R HN 0.532 nan 8.270 nan 0.000 0.469 179 A N 0.987 123.785 122.820 -0.037 0.000 2.483 179 A HA 0.521 4.849 4.320 0.013 0.000 0.238 179 A C 1.045 178.583 177.584 -0.077 0.000 1.070 179 A CA 0.970 52.976 52.037 -0.051 0.000 0.770 179 A CB -0.638 18.341 19.000 -0.035 0.000 1.008 179 A HN 1.442 nan 8.150 nan 0.000 0.497 180 G N 0.944 109.689 108.800 -0.093 0.000 2.512 180 G HA2 -0.177 3.791 3.960 0.013 0.000 0.240 180 G HA3 -0.177 3.791 3.960 0.013 0.000 0.240 180 G C -0.137 174.665 174.900 -0.163 0.000 1.246 180 G CA 0.213 45.248 45.100 -0.107 0.000 0.919 180 G HN 1.019 nan 8.290 nan 0.000 0.577 181 E N 1.474 121.581 120.200 -0.155 0.000 2.316 181 E HA 0.315 4.672 4.350 0.013 0.000 0.275 181 E C 0.076 176.516 176.600 -0.268 0.000 1.029 181 E CA -0.105 56.173 56.400 -0.203 0.000 0.871 181 E CB 0.352 29.971 29.700 -0.135 0.000 1.022 181 E HN 0.413 nan 8.360 nan 0.000 0.418 182 N N 2.527 120.944 118.700 -0.472 0.000 2.292 182 N HA 0.399 5.147 4.740 0.013 0.000 0.303 182 N C -0.873 174.426 175.510 -0.352 0.000 1.140 182 N CA -0.682 52.057 53.050 -0.519 0.000 0.788 182 N CB 2.220 40.095 38.487 -1.019 0.000 1.361 182 N HN 0.273 nan 8.380 nan 0.000 0.489 183 R N 1.691 122.138 120.500 -0.089 0.000 2.502 183 R HA 0.459 4.807 4.340 0.013 0.000 0.300 183 R C -1.224 175.163 176.300 0.146 0.000 0.984 183 R CA -0.472 55.651 56.100 0.040 0.000 0.882 183 R CB 0.946 31.221 30.300 -0.041 0.000 1.180 183 R HN 0.474 nan 8.270 nan 0.000 0.444 184 L N 3.167 124.506 121.223 0.194 0.000 2.325 184 L HA 0.754 5.102 4.340 0.013 0.000 0.279 184 L C -0.229 176.715 176.870 0.124 0.000 1.054 184 L CA -0.935 54.019 54.840 0.189 0.000 0.804 184 L CB 1.888 44.053 42.059 0.175 0.000 1.200 184 L HN 0.751 nan 8.230 nan 0.000 0.436 185 A N 3.210 126.115 122.820 0.142 0.000 2.353 185 A HA 0.740 5.068 4.320 0.013 0.000 0.299 185 A C -1.057 176.824 177.584 0.495 0.000 1.089 185 A CA -0.437 51.599 52.037 -0.001 0.000 0.736 185 A CB 1.588 20.082 19.000 -0.843 0.000 1.195 185 A HN 0.377 nan 8.150 nan 0.000 0.447 186 V N 3.485 123.854 119.914 0.759 0.000 2.443 186 V HA 0.446 4.573 4.120 0.013 0.000 0.293 186 V C -0.118 176.505 176.094 0.881 0.000 1.021 186 V CA -0.281 62.453 62.300 0.723 0.000 0.848 186 V CB 1.573 33.654 31.823 0.430 0.000 0.998 186 V HN 0.967 nan 8.190 nan 0.000 0.424 187 M N 6.021 126.170 119.600 0.915 0.000 2.063 187 M HA 0.533 5.020 4.480 0.013 0.000 0.348 187 M C -1.314 175.247 176.300 0.434 0.000 1.180 187 M CA -0.359 55.311 55.300 0.616 0.000 1.059 187 M CB 0.996 34.017 32.600 0.701 0.000 1.544 187 M HN 0.484 nan 8.290 nan 0.000 0.447 188 V N 6.826 126.955 119.914 0.358 0.000 2.394 188 V HA 0.370 4.498 4.120 0.013 0.000 0.282 188 V C -0.175 176.083 176.094 0.274 0.000 1.031 188 V CA -0.660 61.851 62.300 0.352 0.000 0.881 188 V CB 1.315 33.432 31.823 0.490 0.000 0.982 188 V HN 0.782 nan 8.190 nan 0.000 0.451 189 L N 4.901 126.210 121.223 0.144 0.000 2.289 189 L HA 0.518 4.866 4.340 0.013 0.000 0.285 189 L C 1.545 178.426 176.870 0.018 0.000 1.049 189 L CA -0.246 54.601 54.840 0.011 0.000 0.804 189 L CB 1.085 43.049 42.059 -0.158 0.000 1.195 189 L HN 0.598 nan 8.230 nan 0.000 0.428 190 R N 2.788 123.253 120.500 -0.059 0.000 2.073 190 R HA -0.062 4.286 4.340 0.013 0.000 0.234 190 R C -0.367 175.625 176.300 -0.513 0.000 1.134 190 R CA 1.352 57.182 56.100 -0.451 0.000 0.952 190 R CB 0.181 30.076 30.300 -0.675 0.000 0.850 190 R HN 0.571 nan 8.270 nan 0.000 0.433 191 W N 0.337 121.693 121.300 0.093 0.000 2.573 191 W HA 0.396 5.064 4.660 0.012 0.000 0.326 191 W C -0.278 176.346 176.519 0.174 0.000 1.049 191 W CA -0.835 56.574 57.345 0.106 0.000 1.220 191 W CB 1.719 31.246 29.460 0.111 0.000 1.373 191 W HN 0.037 nan 8.180 nan 0.000 0.507 192 S N -0.894 115.080 115.700 0.456 0.000 2.688 192 S HA 0.224 4.702 4.470 0.013 0.000 0.275 192 S C 0.110 174.955 174.600 0.408 0.000 1.175 192 S CA -0.482 57.999 58.200 0.470 0.000 0.818 192 S CB 1.221 64.672 63.200 0.419 0.000 1.157 192 S HN 0.612 nan 8.310 nan 0.000 0.482 193 D N 0.338 120.983 120.400 0.408 0.000 2.264 193 D HA 0.080 4.727 4.640 0.013 0.000 0.208 193 D C 1.796 178.397 176.300 0.501 0.000 0.966 193 D CA 1.103 55.390 54.000 0.479 0.000 0.864 193 D CB -0.720 40.238 40.800 0.264 0.000 0.933 193 D HN 0.695 nan 8.370 nan 0.000 0.499 194 G N 0.226 109.241 108.800 0.359 0.000 2.450 194 G HA2 -0.289 3.679 3.960 0.013 0.000 0.220 194 G HA3 -0.289 3.679 3.960 0.013 0.000 0.220 194 G C 1.719 176.798 174.900 0.298 0.000 1.130 194 G CA 0.821 46.104 45.100 0.305 0.000 0.760 194 G HN 0.322 nan 8.290 nan 0.000 0.557 195 S N -0.062 115.798 115.700 0.268 0.000 2.419 195 S HA -0.104 4.374 4.470 0.013 0.000 0.233 195 S C 1.913 176.607 174.600 0.157 0.000 1.016 195 S CA 0.794 59.120 58.200 0.211 0.000 0.974 195 S CB -0.406 62.916 63.200 0.202 0.000 0.786 195 S HN 0.560 nan 8.310 nan 0.000 0.492 196 Y N 1.185 121.614 120.300 0.215 0.000 2.403 196 Y HA 0.051 4.608 4.550 0.012 0.000 0.291 196 Y C 1.573 177.589 175.900 0.194 0.000 1.143 196 Y CA 0.660 58.814 58.100 0.090 0.000 1.257 196 Y CB -0.213 38.164 38.460 -0.140 0.000 0.984 196 Y HN 0.196 nan 8.280 nan 0.000 0.550 197 L N -0.221 121.202 121.223 0.333 0.000 2.700 197 L HA 0.148 4.496 4.340 0.013 0.000 0.234 197 L C -0.068 176.945 176.870 0.238 0.000 1.156 197 L CA 0.368 55.358 54.840 0.251 0.000 0.946 197 L CB 0.066 42.271 42.059 0.244 0.000 1.216 197 L HN 0.136 nan 8.230 nan 0.000 0.493 198 E N -0.109 120.244 120.200 0.255 0.000 4.044 198 E HA 0.044 4.401 4.350 0.013 0.000 0.216 198 E C -0.502 176.213 176.600 0.191 0.000 1.104 198 E CA -0.061 56.474 56.400 0.225 0.000 1.383 198 E CB 0.550 30.373 29.700 0.205 0.000 1.195 198 E HN 0.026 nan 8.360 nan 0.000 0.442 199 D N 1.114 121.590 120.400 0.127 0.000 2.561 199 D HA 0.029 4.676 4.640 0.013 0.000 0.232 199 D C -0.228 176.076 176.300 0.007 0.000 1.198 199 D CA -0.105 53.858 54.000 -0.061 0.000 0.826 199 D CB 0.170 40.679 40.800 -0.484 0.000 0.992 199 D HN 0.059 nan 8.370 nan 0.000 0.490 200 Q N 0.508 120.406 119.800 0.164 0.000 2.392 200 Q HA 0.115 4.462 4.340 0.013 0.000 0.262 200 Q C -0.136 176.002 176.000 0.230 0.000 1.003 200 Q CA 0.073 56.048 55.803 0.287 0.000 0.888 200 Q CB 0.623 29.684 28.738 0.539 0.000 1.260 200 Q HN 0.065 nan 8.270 nan 0.000 0.435 201 D N 3.343 123.906 120.400 0.272 0.000 2.441 201 D HA 0.174 4.822 4.640 0.013 0.000 0.243 201 D C -0.785 175.677 176.300 0.270 0.000 1.257 201 D CA 0.147 54.281 54.000 0.224 0.000 1.027 201 D CB -0.404 40.540 40.800 0.240 0.000 1.084 201 D HN 0.505 nan 8.370 nan 0.000 0.514 202 M N 0.640 120.365 119.600 0.209 0.000 2.895 202 M HA 0.368 4.855 4.480 0.013 0.000 0.271 202 M C -1.346 175.056 176.300 0.169 0.000 1.174 202 M CA -1.140 54.207 55.300 0.079 0.000 0.816 202 M CB 0.970 33.553 32.600 -0.027 0.000 1.647 202 M HN -0.080 nan 8.290 nan 0.000 0.506 203 W N 1.855 123.244 121.300 0.148 0.000 2.209 203 W HA 0.296 4.964 4.660 0.013 0.000 0.344 203 W C 0.319 176.863 176.519 0.042 0.000 1.285 203 W CA 0.055 57.483 57.345 0.138 0.000 1.267 203 W CB 0.311 29.789 29.460 0.030 0.000 1.167 203 W HN 0.321 nan 8.180 nan 0.000 0.574 204 R N 4.430 125.118 120.500 0.312 0.000 2.215 204 R HA 0.431 4.778 4.340 0.013 0.000 0.337 204 R C -0.181 176.126 176.300 0.012 0.000 1.010 204 R CA -0.278 55.917 56.100 0.158 0.000 0.871 204 R CB 0.224 30.686 30.300 0.270 0.000 1.134 204 R HN 0.555 nan 8.270 nan 0.000 0.477 205 M N 0.253 119.750 119.600 -0.173 0.000 2.752 205 M HA 0.538 5.026 4.480 0.013 0.000 0.285 205 M C -0.052 175.898 176.300 -0.582 0.000 1.140 205 M CA -0.847 54.230 55.300 -0.372 0.000 0.767 205 M CB 2.240 34.620 32.600 -0.368 0.000 1.736 205 M HN 0.626 nan 8.290 nan 0.000 0.452 206 S N -1.264 113.951 115.700 -0.808 0.000 2.611 206 S HA 0.939 5.417 4.470 0.013 0.000 0.268 206 S C -0.613 173.447 174.600 -0.900 0.000 1.156 206 S CA -0.189 57.449 58.200 -0.936 0.000 0.817 206 S CB 1.735 64.206 63.200 -1.215 0.000 1.122 206 S HN 1.481 nan 8.310 nan 0.000 0.466 207 G N 0.016 108.526 108.800 -0.484 0.000 2.316 207 G HA2 0.183 4.150 3.960 0.013 0.000 0.349 207 G HA3 0.183 4.150 3.960 0.013 0.000 0.349 207 G C -1.572 173.306 174.900 -0.037 0.000 1.274 207 G CA -0.588 44.523 45.100 0.019 0.000 1.018 207 G HN 1.168 nan 8.290 nan 0.000 0.486 208 I N 2.008 122.412 120.570 -0.276 0.000 2.282 208 I HA 0.323 4.501 4.170 0.013 0.000 0.290 208 I C 0.959 176.937 176.117 -0.231 0.000 1.090 208 I CA -0.290 60.756 61.300 -0.424 0.000 1.231 208 I CB 0.062 37.532 38.000 -0.884 0.000 1.434 208 I HN 0.532 nan 8.210 nan 0.000 0.487 209 F N 4.548 124.342 119.950 -0.259 0.000 2.678 209 F HA 0.488 5.023 4.527 0.012 0.000 0.305 209 F C 0.617 176.339 175.800 -0.130 0.000 1.090 209 F CA -0.568 57.316 58.000 -0.193 0.000 1.272 209 F CB 0.180 39.068 39.000 -0.187 0.000 1.060 209 F HN 0.142 nan 8.300 nan 0.000 0.576 210 R N 0.423 120.482 120.500 -0.735 0.000 2.930 210 R HA 0.261 4.609 4.340 0.013 0.000 0.257 210 R C -0.762 175.335 176.300 -0.338 0.000 1.107 210 R CA -1.187 54.607 56.100 -0.510 0.000 0.999 210 R CB 0.660 30.589 30.300 -0.618 0.000 1.209 210 R HN -0.049 nan 8.270 nan 0.000 0.486 211 D N 0.580 120.830 120.400 -0.250 0.000 2.390 211 D HA 0.110 4.757 4.640 0.013 0.000 0.236 211 D C -0.480 175.681 176.300 -0.232 0.000 1.189 211 D CA 0.424 54.312 54.000 -0.188 0.000 0.887 211 D CB 0.667 41.387 40.800 -0.133 0.000 1.198 211 D HN -0.016 nan 8.370 nan 0.000 0.444 212 V N 0.692 120.482 119.914 -0.206 0.000 2.604 212 V HA 0.588 4.716 4.120 0.013 0.000 0.305 212 V C 0.028 176.007 176.094 -0.191 0.000 1.043 212 V CA -0.563 61.552 62.300 -0.308 0.000 0.888 212 V CB 1.763 33.425 31.823 -0.270 0.000 0.995 212 V HN 0.776 nan 8.190 nan 0.000 0.429 213 S N 4.434 119.997 115.700 -0.228 0.000 2.638 213 S HA 0.846 5.324 4.470 0.013 0.000 0.274 213 S C -1.365 173.173 174.600 -0.104 0.000 1.157 213 S CA -0.926 57.205 58.200 -0.114 0.000 0.826 213 S CB 1.838 65.000 63.200 -0.063 0.000 1.139 213 S HN 0.463 nan 8.310 nan 0.000 0.474 214 L N 1.185 122.406 121.223 -0.002 0.000 2.346 214 L HA 0.740 5.087 4.340 0.013 0.000 0.276 214 L C -1.417 175.523 176.870 0.116 0.000 1.006 214 L CA -0.912 53.974 54.840 0.077 0.000 0.817 214 L CB 1.774 43.974 42.059 0.236 0.000 1.272 214 L HN 0.697 nan 8.230 nan 0.000 0.421 215 L N 2.810 124.052 121.223 0.032 0.000 2.409 215 L HA 0.417 4.764 4.340 0.013 0.000 0.272 215 L C -0.890 175.862 176.870 -0.197 0.000 0.980 215 L CA -0.092 54.718 54.840 -0.051 0.000 0.826 215 L CB 1.536 43.585 42.059 -0.015 0.000 1.268 215 L HN 0.530 nan 8.230 nan 0.000 0.407 216 H N 5.562 124.291 119.070 -0.568 0.000 2.623 216 H HA 0.410 4.974 4.556 0.013 0.000 0.299 216 H C -1.031 174.017 175.328 -0.467 0.000 1.052 216 H CA -0.751 54.806 56.048 -0.818 0.000 1.231 216 H CB 0.811 29.442 29.762 -1.884 0.000 1.389 216 H HN 0.507 nan 8.280 nan 0.000 0.469 217 K N 4.988 125.034 120.400 -0.589 0.000 2.139 217 K HA 0.375 4.703 4.320 0.013 0.000 0.243 217 K C -2.548 173.738 176.600 -0.523 0.000 0.983 217 K CA -1.977 54.033 56.287 -0.461 0.000 0.890 217 K CB 1.620 33.946 32.500 -0.289 0.000 1.090 217 K HN 0.497 nan 8.250 nan 0.000 0.445 218 P HA 0.068 nan 4.420 nan 0.000 0.274 218 P C 0.714 177.897 177.300 -0.194 0.000 1.256 218 P CA -0.065 62.880 63.100 -0.257 0.000 0.795 218 P CB 0.283 31.890 31.700 -0.154 0.000 1.038 219 T N -3.484 110.990 114.554 -0.133 0.000 2.904 219 T HA -0.027 4.331 4.350 0.013 0.000 0.267 219 T C 0.682 175.327 174.700 -0.093 0.000 1.059 219 T CA 1.195 63.238 62.100 -0.096 0.000 1.137 219 T CB -0.998 67.834 68.868 -0.060 0.000 0.879 219 T HN 0.278 nan 8.240 nan 0.000 0.467 220 T N 3.320 117.823 114.554 -0.086 0.000 2.738 220 T HA 0.486 4.843 4.350 0.013 0.000 0.298 220 T C -0.386 174.254 174.700 -0.100 0.000 0.962 220 T CA -0.738 61.306 62.100 -0.094 0.000 0.972 220 T CB 0.770 69.597 68.868 -0.067 0.000 0.928 220 T HN 0.688 nan 8.240 nan 0.000 0.474 221 Q N 2.467 122.195 119.800 -0.120 0.000 2.553 221 Q HA 0.612 4.960 4.340 0.013 0.000 0.293 221 Q C -1.155 174.775 176.000 -0.116 0.000 1.038 221 Q CA -1.191 54.534 55.803 -0.131 0.000 0.777 221 Q CB 1.335 29.971 28.738 -0.170 0.000 1.487 221 Q HN 0.443 nan 8.270 nan 0.000 0.426 222 I N 2.563 123.045 120.570 -0.146 0.000 2.436 222 I HA 0.004 4.181 4.170 0.013 0.000 0.289 222 I C 0.707 176.729 176.117 -0.159 0.000 1.083 222 I CA 0.122 61.355 61.300 -0.111 0.000 1.372 222 I CB 0.952 38.849 38.000 -0.173 0.000 1.408 222 I HN 0.870 nan 8.210 nan 0.000 0.516 223 S N 2.654 118.375 115.700 0.035 0.000 2.502 223 S HA 0.214 4.691 4.470 0.013 0.000 0.215 223 S C 0.169 174.998 174.600 0.382 0.000 1.009 223 S CA -0.294 57.995 58.200 0.149 0.000 0.908 223 S CB 0.325 63.566 63.200 0.068 0.000 0.801 223 S HN 0.708 nan 8.310 nan 0.000 0.505 224 D N -0.222 120.403 120.400 0.375 0.000 2.683 224 D HA 0.521 5.169 4.640 0.013 0.000 0.246 224 D C -1.926 174.621 176.300 0.412 0.000 1.238 224 D CA -0.708 53.533 54.000 0.402 0.000 0.759 224 D CB 1.611 42.538 40.800 0.212 0.000 1.349 224 D HN 0.210 nan 8.370 nan 0.000 0.426 225 F N -0.679 119.399 119.950 0.214 0.000 2.650 225 F HA 0.578 5.113 4.527 0.013 0.000 0.310 225 F C -1.622 174.344 175.800 0.276 0.000 1.112 225 F CA -0.771 57.291 58.000 0.104 0.000 0.986 225 F CB 1.203 40.273 39.000 0.118 0.000 1.285 225 F HN 0.247 nan 8.300 nan 0.000 0.440 226 H N 2.117 121.277 119.070 0.150 0.000 2.529 226 H HA 0.733 5.296 4.556 0.013 0.000 0.348 226 H C -1.293 174.083 175.328 0.080 0.000 1.079 226 H CA -1.499 54.559 56.048 0.017 0.000 1.198 226 H CB 2.671 32.423 29.762 -0.017 0.000 1.521 226 H HN 0.594 nan 8.280 nan 0.000 0.514 227 V N 2.438 122.455 119.914 0.172 0.000 2.417 227 V HA 0.631 4.759 4.120 0.013 0.000 0.291 227 V C -0.188 175.904 176.094 -0.003 0.000 1.024 227 V CA -0.534 61.819 62.300 0.088 0.000 0.861 227 V CB 1.237 33.105 31.823 0.074 0.000 0.985 227 V HN 0.920 nan 8.190 nan 0.000 0.436 228 A N 3.386 126.184 122.820 -0.037 0.000 2.413 228 A HA 0.962 5.290 4.320 0.013 0.000 0.307 228 A C -0.155 177.341 177.584 -0.147 0.000 1.087 228 A CA -0.533 51.463 52.037 -0.069 0.000 0.750 228 A CB 2.032 21.013 19.000 -0.032 0.000 1.296 228 A HN 0.907 nan 8.150 nan 0.000 0.423 229 T N -0.173 114.278 114.554 -0.170 0.000 2.881 229 T HA 0.747 5.105 4.350 0.013 0.000 0.291 229 T C -0.530 173.976 174.700 -0.323 0.000 0.990 229 T CA -0.681 61.238 62.100 -0.302 0.000 0.976 229 T CB 1.037 69.654 68.868 -0.418 0.000 0.970 229 T HN 0.702 nan 8.240 nan 0.000 0.438 230 R N 1.805 122.031 120.500 -0.457 0.000 2.778 230 R HA 0.817 5.165 4.340 0.013 0.000 0.277 230 R C -1.180 174.725 176.300 -0.659 0.000 0.977 230 R CA -0.760 55.133 56.100 -0.345 0.000 0.950 230 R CB 1.597 31.818 30.300 -0.132 0.000 1.165 230 R HN 0.555 nan 8.270 nan 0.000 0.474 231 F N 0.188 120.119 119.950 -0.032 0.000 2.611 231 F HA 0.385 4.919 4.527 0.011 0.000 0.324 231 F C 0.494 176.158 175.800 -0.227 0.000 1.061 231 F CA -1.120 56.799 58.000 -0.135 0.000 0.954 231 F CB 1.035 39.838 39.000 -0.329 0.000 1.301 231 F HN 0.544 nan 8.300 nan 0.000 0.482 232 N N -0.055 118.624 118.700 -0.036 0.000 2.366 232 N HA 0.060 4.808 4.740 0.013 0.000 0.277 232 N C 0.475 175.844 175.510 -0.235 0.000 1.275 232 N CA -0.133 52.859 53.050 -0.098 0.000 0.964 232 N CB 0.003 38.460 38.487 -0.049 0.000 1.167 232 N HN 0.652 nan 8.380 nan 0.000 0.568 233 D N -1.315 118.997 120.400 -0.147 0.000 2.149 233 D HA -0.232 4.416 4.640 0.013 0.000 0.198 233 D C 0.326 176.540 176.300 -0.143 0.000 0.990 233 D CA 1.594 55.509 54.000 -0.142 0.000 0.839 233 D CB -0.570 40.206 40.800 -0.041 0.000 0.948 233 D HN 0.742 nan 8.370 nan 0.000 0.460 234 D N -1.708 118.655 120.400 -0.062 0.000 2.462 234 D HA 0.034 4.681 4.640 0.013 0.000 0.221 234 D C 0.085 176.536 176.300 0.252 0.000 1.173 234 D CA -0.928 53.149 54.000 0.129 0.000 0.831 234 D CB -0.903 39.971 40.800 0.124 0.000 1.001 234 D HN 0.185 nan 8.370 nan 0.000 0.499 235 F N 0.277 120.285 119.950 0.097 0.000 2.953 235 F HA -0.291 4.242 4.527 0.011 0.000 0.292 235 F C 1.669 177.549 175.800 0.134 0.000 0.747 235 F CA 0.803 58.876 58.000 0.122 0.000 1.222 235 F CB -2.516 36.456 39.000 -0.047 0.000 1.457 235 F HN 0.210 nan 8.300 nan 0.000 0.383 236 S N -1.124 114.682 115.700 0.177 0.000 2.558 236 S HA 0.307 4.785 4.470 0.013 0.000 0.217 236 S C 0.629 175.280 174.600 0.086 0.000 0.975 236 S CA 0.142 58.416 58.200 0.122 0.000 0.912 236 S CB 0.363 63.612 63.200 0.080 0.000 0.776 236 S HN 0.478 nan 8.310 nan 0.000 0.526 237 R N -0.072 120.485 120.500 0.095 0.000 2.698 237 R HA 0.797 5.145 4.340 0.013 0.000 0.275 237 R C -1.334 174.992 176.300 0.043 0.000 1.001 237 R CA -0.203 55.919 56.100 0.036 0.000 0.896 237 R CB 2.224 32.520 30.300 -0.006 0.000 1.218 237 R HN 0.239 nan 8.270 nan 0.000 0.462 238 A N 1.467 124.250 122.820 -0.062 0.000 2.515 238 A HA 0.766 5.094 4.320 0.013 0.000 0.296 238 A C -1.344 176.146 177.584 -0.157 0.000 1.094 238 A CA -0.690 51.219 52.037 -0.214 0.000 0.718 238 A CB 1.963 20.790 19.000 -0.289 0.000 1.307 238 A HN 0.335 nan 8.150 nan 0.000 0.408 239 V N 1.569 121.366 119.914 -0.194 0.000 2.409 239 V HA 0.429 4.556 4.120 0.013 0.000 0.291 239 V C -0.450 175.581 176.094 -0.105 0.000 1.020 239 V CA -0.364 61.867 62.300 -0.114 0.000 0.848 239 V CB 1.376 33.136 31.823 -0.104 0.000 0.990 239 V HN 0.784 nan 8.190 nan 0.000 0.430 240 L N 4.790 125.992 121.223 -0.035 0.000 2.264 240 L HA 0.599 4.947 4.340 0.013 0.000 0.289 240 L C 0.008 176.843 176.870 -0.059 0.000 1.044 240 L CA 0.016 54.822 54.840 -0.057 0.000 0.807 240 L CB 0.986 43.045 42.059 -0.001 0.000 1.192 240 L HN 0.797 nan 8.230 nan 0.000 0.425 241 E N 4.608 124.769 120.200 -0.066 0.000 2.165 241 E HA 0.640 4.998 4.350 0.013 0.000 0.266 241 E C -1.433 175.159 176.600 -0.014 0.000 0.889 241 E CA -0.779 55.597 56.400 -0.040 0.000 0.756 241 E CB 1.724 31.399 29.700 -0.042 0.000 1.131 241 E HN 0.714 nan 8.360 nan 0.000 0.411 242 A N 4.681 127.499 122.820 -0.004 0.000 2.311 242 A HA 0.309 4.636 4.320 0.013 0.000 0.306 242 A C -0.636 176.954 177.584 0.010 0.000 1.189 242 A CA -0.668 51.390 52.037 0.035 0.000 0.791 242 A CB 1.044 20.063 19.000 0.031 0.000 1.172 242 A HN 0.748 nan 8.150 nan 0.000 0.481 243 E N 2.529 122.733 120.200 0.007 0.000 2.174 243 E HA 0.541 4.899 4.350 0.013 0.000 0.282 243 E C -1.311 175.260 176.600 -0.049 0.000 0.992 243 E CA -0.349 56.012 56.400 -0.066 0.000 0.803 243 E CB 1.118 30.722 29.700 -0.160 0.000 1.090 243 E HN 0.377 nan 8.360 nan 0.000 0.396 244 V N 4.745 124.646 119.914 -0.021 0.000 2.604 244 V HA 0.276 4.404 4.120 0.013 0.000 0.305 244 V C -0.546 175.619 176.094 0.119 0.000 1.043 244 V CA -0.819 61.519 62.300 0.064 0.000 0.888 244 V CB 1.767 33.608 31.823 0.029 0.000 0.995 244 V HN 0.745 nan 8.190 nan 0.000 0.429 245 Q N 4.124 123.999 119.800 0.125 0.000 2.309 245 Q HA 0.808 5.155 4.340 0.013 0.000 0.264 245 Q C -0.755 175.313 176.000 0.113 0.000 1.008 245 Q CA -0.841 55.028 55.803 0.111 0.000 0.853 245 Q CB 2.561 31.305 28.738 0.010 0.000 1.314 245 Q HN 0.807 nan 8.270 nan 0.000 0.448 246 M N -0.715 118.874 119.600 -0.018 0.000 2.664 246 M HA 0.736 5.224 4.480 0.013 0.000 0.314 246 M C -1.317 174.887 176.300 -0.160 0.000 1.200 246 M CA -0.459 54.744 55.300 -0.163 0.000 0.916 246 M CB 1.590 33.891 32.600 -0.499 0.000 1.717 246 M HN 0.510 nan 8.290 nan 0.000 0.470 247 C N 1.150 120.367 119.300 -0.138 0.000 2.614 247 C HA 1.033 5.501 4.460 0.013 0.000 0.320 247 C C 0.617 175.527 174.990 -0.134 0.000 1.200 247 C CA 0.549 59.501 59.018 -0.109 0.000 1.700 247 C CB 0.908 28.611 27.740 -0.063 0.000 2.275 247 C HN 1.396 nan 8.230 nan 0.000 0.492 248 G N 1.698 110.429 108.800 -0.115 0.000 2.422 248 G HA2 0.004 3.971 3.960 0.013 0.000 0.607 248 G HA3 0.004 3.971 3.960 0.013 0.000 0.607 248 G C -1.034 173.789 174.900 -0.129 0.000 1.270 248 G CA -0.569 44.465 45.100 -0.110 0.000 0.992 248 G HN 0.919 nan 8.290 nan 0.000 0.499 249 E N -0.013 120.118 120.200 -0.114 0.000 2.223 249 E HA 0.429 4.787 4.350 0.013 0.000 0.282 249 E C 0.486 176.982 176.600 -0.173 0.000 1.046 249 E CA -0.483 55.846 56.400 -0.119 0.000 0.857 249 E CB 0.299 29.951 29.700 -0.080 0.000 1.055 249 E HN 0.451 nan 8.360 nan 0.000 0.409 250 L N 4.940 126.049 121.223 -0.190 0.000 2.426 250 L HA 0.284 4.631 4.340 0.013 0.000 0.271 250 L C 0.603 177.332 176.870 -0.236 0.000 1.169 250 L CA 0.079 54.779 54.840 -0.234 0.000 0.836 250 L CB 0.430 42.376 42.059 -0.189 0.000 1.112 250 L HN 0.455 nan 8.230 nan 0.000 0.465 251 R N 1.404 121.708 120.500 -0.327 0.000 2.698 251 R HA 0.182 4.529 4.340 0.013 0.000 0.275 251 R C -0.383 175.653 176.300 -0.439 0.000 1.001 251 R CA -0.796 55.014 56.100 -0.483 0.000 0.896 251 R CB 1.748 31.418 30.300 -1.049 0.000 1.218 251 R HN 0.534 nan 8.270 nan 0.000 0.462 252 D N 1.039 121.264 120.400 -0.292 0.000 2.263 252 D HA -0.139 4.509 4.640 0.013 0.000 0.208 252 D C 1.476 177.736 176.300 -0.066 0.000 0.971 252 D CA 1.517 55.440 54.000 -0.128 0.000 0.867 252 D CB 0.075 40.853 40.800 -0.037 0.000 0.929 252 D HN 0.568 nan 8.370 nan 0.000 0.492 253 Y N -0.152 120.157 120.300 0.015 0.000 2.529 253 Y HA 0.274 4.831 4.550 0.013 0.000 0.290 253 Y C 0.741 176.640 175.900 -0.001 0.000 1.177 253 Y CA -0.528 57.577 58.100 0.008 0.000 1.305 253 Y CB -0.951 37.516 38.460 0.011 0.000 1.047 253 Y HN -0.196 nan 8.280 nan 0.000 0.522 254 L N 2.426 123.635 121.223 -0.023 0.000 2.452 254 L HA 0.338 4.686 4.340 0.013 0.000 0.267 254 L C 0.241 177.113 176.870 0.003 0.000 1.188 254 L CA -0.188 54.702 54.840 0.082 0.000 0.821 254 L CB 0.480 42.600 42.059 0.102 0.000 1.102 254 L HN 0.138 nan 8.230 nan 0.000 0.470 255 R N 1.458 121.846 120.500 -0.188 0.000 2.764 255 R HA 0.697 5.044 4.340 0.013 0.000 0.270 255 R C -1.556 174.419 176.300 -0.541 0.000 1.014 255 R CA -0.817 55.026 56.100 -0.428 0.000 0.904 255 R CB 2.072 31.996 30.300 -0.626 0.000 1.236 255 R HN 0.270 nan 8.270 nan 0.000 0.466 256 V N 0.760 120.396 119.914 -0.465 0.000 2.588 256 V HA 0.501 4.628 4.120 0.013 0.000 0.304 256 V C -0.385 175.670 176.094 -0.065 0.000 1.042 256 V CA -0.556 61.583 62.300 -0.269 0.000 0.877 256 V CB 2.348 33.939 31.823 -0.387 0.000 0.996 256 V HN 0.715 nan 8.190 nan 0.000 0.425 257 T N 3.917 118.545 114.554 0.123 0.000 2.807 257 T HA 0.590 4.947 4.350 0.013 0.000 0.279 257 T C -0.626 174.083 174.700 0.014 0.000 0.993 257 T CA -0.332 61.826 62.100 0.096 0.000 0.970 257 T CB 1.642 70.582 68.868 0.120 0.000 0.950 257 T HN 0.338 nan 8.240 nan 0.000 0.441 258 V N 3.441 123.343 119.914 -0.020 0.000 2.384 258 V HA 0.534 4.662 4.120 0.013 0.000 0.287 258 V C -0.084 176.001 176.094 -0.016 0.000 1.020 258 V CA -0.547 61.738 62.300 -0.026 0.000 0.850 258 V CB 1.771 33.570 31.823 -0.041 0.000 0.987 258 V HN 0.939 nan 8.190 nan 0.000 0.436 259 S N 5.036 120.750 115.700 0.023 0.000 2.482 259 S HA 0.726 5.204 4.470 0.013 0.000 0.303 259 S C -0.816 173.802 174.600 0.030 0.000 1.091 259 S CA -0.458 57.728 58.200 -0.022 0.000 1.057 259 S CB 1.721 64.944 63.200 0.040 0.000 1.031 259 S HN 0.547 nan 8.310 nan 0.000 0.485 260 L N 3.256 124.406 121.223 -0.121 0.000 2.313 260 L HA 0.713 5.060 4.340 0.013 0.000 0.283 260 L C -1.941 174.885 176.870 -0.073 0.000 1.013 260 L CA -0.200 54.664 54.840 0.042 0.000 0.816 260 L CB 0.616 42.703 42.059 0.046 0.000 1.236 260 L HN 0.717 nan 8.230 nan 0.000 0.419 261 W N 3.695 125.104 121.300 0.181 0.000 2.736 261 W HA 0.573 5.240 4.660 0.012 0.000 0.335 261 W C -0.513 176.123 176.519 0.195 0.000 1.059 261 W CA -0.455 56.978 57.345 0.147 0.000 1.226 261 W CB 1.429 30.922 29.460 0.056 0.000 1.416 261 W HN 0.414 nan 8.180 nan 0.000 0.505 262 Q N 2.722 122.707 119.800 0.308 0.000 2.456 262 Q HA 0.482 4.830 4.340 0.013 0.000 0.252 262 Q C 0.753 176.797 176.000 0.073 0.000 1.042 262 Q CA 0.507 56.324 55.803 0.023 0.000 0.766 262 Q CB 0.563 29.276 28.738 -0.042 0.000 1.196 262 Q HN 0.783 nan 8.270 nan 0.000 0.504 263 G N 3.193 112.027 108.800 0.057 0.000 2.583 263 G HA2 -0.369 3.599 3.960 0.013 0.000 0.292 263 G HA3 -0.369 3.599 3.960 0.013 0.000 0.292 263 G C 0.273 175.255 174.900 0.137 0.000 1.203 263 G CA 0.401 45.532 45.100 0.053 0.000 0.987 263 G HN 0.723 nan 8.290 nan 0.000 0.554 264 E N 0.772 121.045 120.200 0.122 0.000 2.476 264 E HA 0.212 4.570 4.350 0.013 0.000 0.191 264 E C 0.273 177.092 176.600 0.365 0.000 1.064 264 E CA 0.544 57.047 56.400 0.172 0.000 0.866 264 E CB 0.208 29.952 29.700 0.073 0.000 0.952 264 E HN 0.318 nan 8.360 nan 0.000 0.492 265 T N 1.248 115.996 114.554 0.323 0.000 2.767 265 T HA 0.124 4.482 4.350 0.013 0.000 0.284 265 T C -0.321 174.426 174.700 0.078 0.000 0.973 265 T CA -0.495 61.730 62.100 0.207 0.000 0.996 265 T CB 1.705 70.626 68.868 0.088 0.000 0.927 265 T HN 0.020 nan 8.240 nan 0.000 0.456 266 Q N 2.782 122.365 119.800 -0.363 0.000 2.295 266 Q HA 0.297 4.644 4.340 0.013 0.000 0.259 266 Q C 0.931 176.682 176.000 -0.414 0.000 0.976 266 Q CA -0.448 54.800 55.803 -0.924 0.000 0.923 266 Q CB 0.727 28.648 28.738 -1.362 0.000 1.185 266 Q HN 0.699 nan 8.270 nan 0.000 0.410 267 V N 0.903 120.652 119.914 -0.276 0.000 3.307 267 V HA 0.586 4.713 4.120 0.013 0.000 0.253 267 V C 0.313 176.316 176.094 -0.151 0.000 1.149 267 V CA 0.696 62.918 62.300 -0.131 0.000 1.112 267 V CB 0.122 31.948 31.823 0.006 0.000 0.777 267 V HN 0.630 nan 8.190 nan 0.000 0.464 268 A N -0.849 121.852 122.820 -0.197 0.000 2.612 268 A HA 0.839 5.167 4.320 0.013 0.000 0.293 268 A C -0.687 176.793 177.584 -0.175 0.000 1.075 268 A CA 0.200 52.145 52.037 -0.153 0.000 0.680 268 A CB 1.671 20.610 19.000 -0.102 0.000 1.279 268 A HN 0.576 nan 8.150 nan 0.000 0.411 269 S N -1.218 114.406 115.700 -0.127 0.000 2.547 269 S HA 0.792 5.270 4.470 0.013 0.000 0.270 269 S C -0.665 173.892 174.600 -0.073 0.000 1.150 269 S CA 0.181 58.316 58.200 -0.109 0.000 0.850 269 S CB 1.736 64.858 63.200 -0.130 0.000 1.118 269 S HN 2.294 nan 8.310 nan 0.000 0.461 270 G N 1.464 110.231 108.800 -0.055 0.000 2.719 270 G HA2 0.630 4.597 3.960 0.013 0.000 0.298 270 G HA3 0.630 4.597 3.960 0.013 0.000 0.298 270 G C -1.381 173.499 174.900 -0.033 0.000 1.411 270 G CA -0.353 44.720 45.100 -0.046 0.000 0.991 270 G HN 0.682 nan 8.290 nan 0.000 0.509 271 T N -0.042 114.497 114.554 -0.025 0.000 2.900 271 T HA 0.869 5.227 4.350 0.013 0.000 0.295 271 T C -0.291 174.378 174.700 -0.052 0.000 1.044 271 T CA -0.003 62.091 62.100 -0.009 0.000 0.995 271 T CB 1.852 70.748 68.868 0.046 0.000 1.072 271 T HN 1.538 nan 8.240 nan 0.000 0.473 272 A N 3.239 125.995 122.820 -0.108 0.000 2.608 272 A HA 0.899 5.227 4.320 0.013 0.000 0.292 272 A C -3.098 174.361 177.584 -0.208 0.000 1.066 272 A CA -1.536 50.422 52.037 -0.130 0.000 0.676 272 A CB 1.147 20.067 19.000 -0.133 0.000 1.277 272 A HN 0.535 nan 8.150 nan 0.000 0.413 273 P HA 0.517 nan 4.420 nan 0.000 0.276 273 P C -0.576 176.606 177.300 -0.196 0.000 1.261 273 P CA -0.219 62.794 63.100 -0.144 0.000 0.800 273 P CB 0.316 31.990 31.700 -0.043 0.000 1.066 274 F N -0.197 119.715 119.950 -0.064 0.000 2.444 274 F HA 0.471 5.005 4.527 0.012 0.000 0.331 274 F C 1.465 177.246 175.800 -0.031 0.000 1.167 274 F CA 1.496 59.467 58.000 -0.047 0.000 1.262 274 F CB 0.247 39.214 39.000 -0.055 0.000 1.196 274 F HN 0.574 nan 8.300 nan 0.000 0.583 275 G N 1.537 110.452 108.800 0.191 0.000 2.781 275 G HA2 0.339 4.306 3.960 0.013 0.000 0.468 275 G HA3 0.339 4.306 3.960 0.013 0.000 0.468 275 G C -0.421 174.526 174.900 0.078 0.000 1.186 275 G CA -0.744 44.425 45.100 0.115 0.000 1.220 275 G HN 1.041 nan 8.290 nan 0.000 0.564 276 G N 0.634 109.500 108.800 0.109 0.000 2.621 276 G HA2 0.668 4.636 3.960 0.013 0.000 0.271 276 G HA3 0.668 4.636 3.960 0.013 0.000 0.271 276 G C 0.453 175.391 174.900 0.064 0.000 1.236 276 G CA -0.003 45.151 45.100 0.090 0.000 0.958 276 G HN 1.034 nan 8.290 nan 0.000 0.512 277 E N -0.916 119.315 120.200 0.052 0.000 2.391 277 E HA 0.274 4.631 4.350 0.013 0.000 0.255 277 E C -0.012 176.611 176.600 0.037 0.000 1.187 277 E CA -0.635 55.785 56.400 0.033 0.000 0.941 277 E CB 1.025 30.740 29.700 0.026 0.000 1.010 277 E HN 0.293 nan 8.360 nan 0.000 0.458 278 I N 1.583 122.164 120.570 0.018 0.000 2.683 278 I HA -0.129 4.049 4.170 0.013 0.000 0.286 278 I C 0.740 176.866 176.117 0.014 0.000 1.175 278 I CA 0.047 61.350 61.300 0.005 0.000 1.429 278 I CB 0.327 38.326 38.000 -0.003 0.000 1.371 278 I HN 0.589 nan 8.210 nan 0.000 0.569 279 I N 3.786 124.358 120.570 0.004 0.000 3.039 279 I HA 0.067 4.245 4.170 0.013 0.000 0.270 279 I C 0.541 176.657 176.117 -0.002 0.000 1.150 279 I CA 1.035 62.346 61.300 0.018 0.000 1.448 279 I CB -0.826 37.183 38.000 0.016 0.000 1.197 279 I HN 0.694 nan 8.210 nan 0.000 0.450 280 D N -1.381 119.004 120.400 -0.025 0.000 3.145 280 D HA 0.089 4.737 4.640 0.013 0.000 0.345 280 D C 0.339 176.621 176.300 -0.030 0.000 1.391 280 D CA -0.414 53.573 54.000 -0.022 0.000 0.930 280 D CB 0.472 41.258 40.800 -0.023 0.000 1.451 280 D HN -0.258 nan 8.370 nan 0.000 0.555 281 E N -1.022 119.162 120.200 -0.026 0.000 2.265 281 E HA -0.015 4.343 4.350 0.013 0.000 0.196 281 E C 1.302 177.881 176.600 -0.034 0.000 0.996 281 E CA 0.884 57.269 56.400 -0.025 0.000 0.832 281 E CB -0.026 29.663 29.700 -0.019 0.000 0.756 281 E HN 0.203 nan 8.360 nan 0.000 0.491 282 R N -0.274 120.197 120.500 -0.049 0.000 2.334 282 R HA 0.285 4.632 4.340 0.013 0.000 0.216 282 R C 0.803 177.058 176.300 -0.074 0.000 0.905 282 R CA 0.687 56.751 56.100 -0.060 0.000 1.064 282 R CB 0.640 30.898 30.300 -0.070 0.000 1.046 282 R HN 0.211 nan 8.270 nan 0.000 0.508 283 G N -0.564 108.194 108.800 -0.071 0.000 2.408 283 G HA2 -0.110 3.858 3.960 0.013 0.000 0.204 283 G HA3 -0.110 3.858 3.960 0.013 0.000 0.204 283 G C -0.211 174.633 174.900 -0.093 0.000 1.186 283 G CA -0.607 44.452 45.100 -0.069 0.000 1.139 283 G HN 0.470 nan 8.290 nan 0.000 0.563 284 G N -2.026 106.714 108.800 -0.099 0.000 3.135 284 G HA2 0.633 4.600 3.960 0.013 0.000 0.278 284 G HA3 0.633 4.600 3.960 0.013 0.000 0.278 284 G C -1.638 173.159 174.900 -0.170 0.000 1.302 284 G CA -0.678 44.365 45.100 -0.095 0.000 0.880 284 G HN 0.784 nan 8.290 nan 0.000 0.574 285 Y N 1.116 121.423 120.300 0.013 0.000 2.477 285 Y HA 0.439 4.996 4.550 0.012 0.000 0.349 285 Y C 1.423 177.340 175.900 0.029 0.000 0.977 285 Y CA 0.090 58.200 58.100 0.016 0.000 1.214 285 Y CB 1.707 40.181 38.460 0.023 0.000 1.124 285 Y HN 0.538 nan 8.280 nan 0.000 0.521 286 A N 1.672 124.556 122.820 0.107 0.000 2.168 286 A HA -0.132 4.196 4.320 0.013 0.000 0.215 286 A C 1.287 178.929 177.584 0.095 0.000 1.152 286 A CA 1.352 53.438 52.037 0.083 0.000 0.716 286 A CB -0.276 18.733 19.000 0.015 0.000 0.794 286 A HN 0.780 nan 8.150 nan 0.000 0.465 287 D N -0.913 119.545 120.400 0.097 0.000 2.388 287 D HA 0.147 4.794 4.640 0.013 0.000 0.221 287 D C 0.461 176.839 176.300 0.131 0.000 1.133 287 D CA -0.069 53.905 54.000 -0.043 0.000 0.831 287 D CB 0.010 40.772 40.800 -0.064 0.000 0.962 287 D HN 0.388 nan 8.370 nan 0.000 0.502 288 R N -0.695 119.996 120.500 0.319 0.000 2.836 288 R HA 0.756 5.104 4.340 0.013 0.000 0.269 288 R C -1.529 174.921 176.300 0.250 0.000 1.010 288 R CA -1.154 55.123 56.100 0.295 0.000 0.930 288 R CB 3.063 33.403 30.300 0.066 0.000 1.218 288 R HN -0.019 nan 8.270 nan 0.000 0.473 289 V N 0.149 120.100 119.914 0.062 0.000 3.048 289 V HA 0.534 4.662 4.120 0.013 0.000 0.303 289 V C -1.524 174.520 176.094 -0.084 0.000 1.214 289 V CA -0.284 61.968 62.300 -0.080 0.000 0.984 289 V CB 2.782 34.424 31.823 -0.301 0.000 1.054 289 V HN 0.804 nan 8.190 nan 0.000 0.430 290 T N 7.118 121.630 114.554 -0.070 0.000 2.809 290 T HA 0.599 4.957 4.350 0.013 0.000 0.284 290 T C -1.035 173.627 174.700 -0.065 0.000 0.992 290 T CA -0.383 61.682 62.100 -0.058 0.000 0.957 290 T CB 1.047 69.893 68.868 -0.037 0.000 0.942 290 T HN 0.452 nan 8.240 nan 0.000 0.439 291 L N 3.552 124.738 121.223 -0.063 0.000 2.322 291 L HA 0.584 4.932 4.340 0.013 0.000 0.279 291 L C 0.433 177.275 176.870 -0.047 0.000 1.036 291 L CA -0.438 54.365 54.840 -0.062 0.000 0.807 291 L CB 1.439 43.459 42.059 -0.065 0.000 1.226 291 L HN 0.537 nan 8.230 nan 0.000 0.433 292 R N 3.228 123.700 120.500 -0.046 0.000 2.439 292 R HA 0.628 4.975 4.340 0.013 0.000 0.310 292 R C -1.354 174.919 176.300 -0.045 0.000 0.955 292 R CA -0.913 55.161 56.100 -0.044 0.000 0.853 292 R CB 1.988 32.262 30.300 -0.042 0.000 1.171 292 R HN 0.250 nan 8.270 nan 0.000 0.449 293 L N 2.933 124.131 121.223 -0.042 0.000 2.333 293 L HA 0.350 4.698 4.340 0.013 0.000 0.280 293 L C -0.243 176.599 176.870 -0.047 0.000 1.004 293 L CA -0.430 54.384 54.840 -0.044 0.000 0.820 293 L CB 1.662 43.700 42.059 -0.035 0.000 1.247 293 L HN 0.503 nan 8.230 nan 0.000 0.416 294 N N 1.745 120.412 118.700 -0.056 0.000 2.514 294 N HA 0.524 5.271 4.740 0.013 0.000 0.277 294 N C -1.107 174.355 175.510 -0.081 0.000 1.126 294 N CA -0.296 52.716 53.050 -0.064 0.000 0.978 294 N CB 1.341 39.794 38.487 -0.057 0.000 1.106 294 N HN 0.232 nan 8.380 nan 0.000 0.461 295 V N 2.058 121.908 119.914 -0.107 0.000 2.482 295 V HA 0.212 4.340 4.120 0.013 0.000 0.295 295 V C -0.453 175.549 176.094 -0.154 0.000 1.026 295 V CA -0.856 61.341 62.300 -0.172 0.000 0.856 295 V CB 1.410 33.035 31.823 -0.329 0.000 1.001 295 V HN 0.579 nan 8.190 nan 0.000 0.424 296 E N 2.762 122.898 120.200 -0.106 0.000 2.331 296 E HA 0.271 4.628 4.350 0.013 0.000 0.272 296 E C 0.368 176.935 176.600 -0.056 0.000 1.036 296 E CA -0.350 56.012 56.400 -0.063 0.000 0.864 296 E CB 0.402 30.079 29.700 -0.038 0.000 1.035 296 E HN 0.723 nan 8.360 nan 0.000 0.408 297 N N 1.141 119.834 118.700 -0.012 0.000 2.686 297 N HA -0.158 4.589 4.740 0.013 0.000 0.261 297 N C -2.432 173.078 175.510 0.000 0.000 1.001 297 N CA 0.181 53.243 53.050 0.019 0.000 0.764 297 N CB -0.957 37.544 38.487 0.024 0.000 0.898 297 N HN 0.308 nan 8.380 nan 0.000 0.544 298 P HA 0.018 nan 4.420 nan 0.000 0.271 298 P C -0.389 176.947 177.300 0.060 0.000 1.218 298 P CA 0.213 63.224 63.100 -0.149 0.000 0.780 298 P CB 0.792 32.177 31.700 -0.525 0.000 0.901 299 K N 2.513 123.037 120.400 0.205 0.000 2.349 299 K HA 0.262 4.590 4.320 0.013 0.000 0.289 299 K C 0.173 176.950 176.600 0.296 0.000 1.064 299 K CA -0.294 56.118 56.287 0.209 0.000 0.947 299 K CB 0.153 32.749 32.500 0.159 0.000 1.007 299 K HN 0.439 nan 8.250 nan 0.000 0.478 300 L N 2.742 124.059 121.223 0.157 0.000 2.375 300 L HA 0.321 4.669 4.340 0.013 0.000 0.271 300 L C -0.017 176.926 176.870 0.121 0.000 1.107 300 L CA -0.887 54.040 54.840 0.145 0.000 0.806 300 L CB 0.480 42.459 42.059 -0.133 0.000 1.146 300 L HN 0.598 nan 8.230 nan 0.000 0.447 301 W N 3.237 124.559 121.300 0.036 0.000 2.376 301 W HA 0.492 5.159 4.660 0.011 0.000 0.322 301 W C 0.007 176.465 176.519 -0.102 0.000 1.160 301 W CA 0.117 57.468 57.345 0.010 0.000 1.218 301 W CB 1.332 30.849 29.460 0.095 0.000 1.205 301 W HN 0.631 nan 8.180 nan 0.000 0.559 302 S N 2.968 118.127 115.700 -0.902 0.000 2.615 302 S HA 0.633 5.110 4.470 0.013 0.000 0.269 302 S C 0.130 173.910 174.600 -1.367 0.000 1.161 302 S CA -0.374 57.302 58.200 -0.873 0.000 0.817 302 S CB 1.114 64.051 63.200 -0.439 0.000 1.131 302 S HN 1.002 nan 8.310 nan 0.000 0.467 303 A N 0.588 122.748 122.820 -1.099 0.000 2.015 303 A HA 0.023 4.351 4.320 0.013 0.000 0.219 303 A C 1.778 179.026 177.584 -0.561 0.000 1.163 303 A CA 1.564 53.002 52.037 -0.998 0.000 0.646 303 A CB -1.023 17.241 19.000 -1.226 0.000 0.806 303 A HN 0.882 nan 8.150 nan 0.000 0.448 304 E N -0.676 119.330 120.200 -0.323 0.000 2.047 304 E HA -0.008 4.350 4.350 0.013 0.000 0.191 304 E C -0.139 176.320 176.600 -0.235 0.000 0.987 304 E CA 0.815 57.098 56.400 -0.195 0.000 0.799 304 E CB -0.058 29.658 29.700 0.027 0.000 0.752 304 E HN 0.612 nan 8.360 nan 0.000 0.449 305 I N 1.679 122.081 120.570 -0.280 0.000 2.595 305 I HA 0.150 4.327 4.170 0.013 0.000 0.276 305 I C -2.490 173.401 176.117 -0.376 0.000 1.109 305 I CA -1.786 59.373 61.300 -0.234 0.000 1.084 305 I CB 2.217 40.136 38.000 -0.135 0.000 1.206 305 I HN -0.198 nan 8.210 nan 0.000 0.486 306 P HA 0.081 nan 4.420 nan 0.000 0.226 306 P C -0.567 176.703 177.300 -0.050 0.000 1.783 306 P CA -0.245 62.530 63.100 -0.541 0.000 0.980 306 P CB -0.225 31.295 31.700 -0.300 0.000 1.967 307 N N 1.680 120.379 118.700 -0.002 0.000 2.454 307 N HA 0.125 4.873 4.740 0.013 0.000 0.260 307 N C 0.127 175.852 175.510 0.359 0.000 1.218 307 N CA 0.493 53.626 53.050 0.138 0.000 0.904 307 N CB 0.785 39.353 38.487 0.135 0.000 1.065 307 N HN 0.322 nan 8.380 nan 0.000 0.462 308 L N 2.138 123.497 121.223 0.226 0.000 2.371 308 L HA 0.476 4.824 4.340 0.013 0.000 0.262 308 L C -0.824 176.142 176.870 0.159 0.000 1.006 308 L CA -0.844 54.179 54.840 0.305 0.000 0.818 308 L CB 1.345 43.545 42.059 0.234 0.000 1.354 308 L HN 0.390 nan 8.230 nan 0.000 0.415 309 Y N 0.191 120.638 120.300 0.244 0.000 2.675 309 Y HA 0.670 5.228 4.550 0.013 0.000 0.328 309 Y C -0.223 175.793 175.900 0.192 0.000 1.092 309 Y CA -0.861 57.384 58.100 0.242 0.000 1.190 309 Y CB 1.520 40.184 38.460 0.340 0.000 1.350 309 Y HN 0.371 nan 8.280 nan 0.000 0.525 310 R N 0.829 121.560 120.500 0.385 0.000 2.480 310 R HA 0.796 5.144 4.340 0.013 0.000 0.306 310 R C -1.707 174.776 176.300 0.306 0.000 0.958 310 R CA -0.517 55.736 56.100 0.255 0.000 0.861 310 R CB 1.161 31.544 30.300 0.140 0.000 1.171 310 R HN 0.731 nan 8.270 nan 0.000 0.445 311 A N 3.763 126.705 122.820 0.203 0.000 2.304 311 A HA 0.640 4.967 4.320 0.013 0.000 0.323 311 A C -1.041 176.597 177.584 0.090 0.000 1.195 311 A CA -0.638 51.500 52.037 0.168 0.000 0.826 311 A CB 1.307 20.371 19.000 0.108 0.000 1.184 311 A HN 0.481 nan 8.150 nan 0.000 0.496 312 V N 3.345 123.320 119.914 0.102 0.000 2.448 312 V HA 0.393 4.521 4.120 0.013 0.000 0.295 312 V C -0.395 175.671 176.094 -0.048 0.000 1.025 312 V CA -0.495 61.803 62.300 -0.002 0.000 0.859 312 V CB 1.635 33.471 31.823 0.022 0.000 0.988 312 V HN 0.625 nan 8.190 nan 0.000 0.431 313 V N 4.861 124.677 119.914 -0.162 0.000 2.328 313 V HA 0.431 4.558 4.120 0.013 0.000 0.278 313 V C -0.077 175.955 176.094 -0.104 0.000 1.021 313 V CA -0.563 61.618 62.300 -0.198 0.000 0.838 313 V CB 1.329 32.863 31.823 -0.482 0.000 0.999 313 V HN 0.924 nan 8.190 nan 0.000 0.447 314 E N 3.857 124.049 120.200 -0.014 0.000 2.166 314 E HA 0.505 4.863 4.350 0.013 0.000 0.275 314 E C -1.046 175.637 176.600 0.140 0.000 0.941 314 E CA -0.879 55.561 56.400 0.067 0.000 0.784 314 E CB 2.492 32.247 29.700 0.092 0.000 1.115 314 E HN 0.469 nan 8.360 nan 0.000 0.399 315 L N 4.784 126.073 121.223 0.111 0.000 2.262 315 L HA 0.386 4.733 4.340 0.013 0.000 0.288 315 L C -0.992 175.977 176.870 0.165 0.000 1.035 315 L CA 0.114 55.020 54.840 0.109 0.000 0.820 315 L CB -0.166 41.947 42.059 0.089 0.000 1.204 315 L HN 0.684 nan 8.230 nan 0.000 0.424 316 H N 0.525 119.639 119.070 0.073 0.000 2.928 316 H HA 0.834 5.397 4.556 0.012 0.000 0.285 316 H C -0.780 174.616 175.328 0.114 0.000 1.438 316 H CA -0.443 55.648 56.048 0.072 0.000 1.176 316 H CB 0.888 30.672 29.762 0.037 0.000 1.864 316 H HN 0.464 nan 8.280 nan 0.000 0.567 317 T N -2.405 112.285 114.554 0.226 0.000 2.952 317 T HA 0.594 4.952 4.350 0.013 0.000 0.286 317 T C 1.281 176.111 174.700 0.216 0.000 1.024 317 T CA -0.418 61.788 62.100 0.177 0.000 1.029 317 T CB 1.608 70.526 68.868 0.084 0.000 1.094 317 T HN 0.949 nan 8.240 nan 0.000 0.515 318 A N 0.531 123.439 122.820 0.146 0.000 1.972 318 A HA -0.001 4.327 4.320 0.013 0.000 0.219 318 A C 1.628 179.285 177.584 0.123 0.000 1.169 318 A CA 1.606 53.722 52.037 0.131 0.000 0.635 318 A CB -1.034 18.026 19.000 0.099 0.000 0.810 318 A HN 0.908 nan 8.150 nan 0.000 0.446 319 D N -1.810 118.638 120.400 0.080 0.000 2.325 319 D HA 0.372 5.020 4.640 0.013 0.000 0.234 319 D C 1.074 177.401 176.300 0.045 0.000 1.122 319 D CA 1.096 55.122 54.000 0.044 0.000 0.850 319 D CB 0.051 40.852 40.800 0.002 0.000 0.921 319 D HN 0.529 nan 8.370 nan 0.000 0.513 320 G N -0.347 108.510 108.800 0.095 0.000 2.159 320 G HA2 -0.237 3.730 3.960 0.013 0.000 0.227 320 G HA3 -0.237 3.730 3.960 0.013 0.000 0.227 320 G C 0.539 175.465 174.900 0.043 0.000 0.986 320 G CA -0.088 45.044 45.100 0.052 0.000 0.651 320 G HN 0.302 nan 8.290 nan 0.000 0.523 321 T N 1.238 115.832 114.554 0.068 0.000 2.806 321 T HA 0.549 4.907 4.350 0.013 0.000 0.290 321 T C 0.149 174.908 174.700 0.099 0.000 0.966 321 T CA -0.245 61.886 62.100 0.052 0.000 1.060 321 T CB 1.864 70.744 68.868 0.020 0.000 0.927 321 T HN 0.537 nan 8.240 nan 0.000 0.485 322 L N 4.681 125.948 121.223 0.073 0.000 2.331 322 L HA 0.410 4.758 4.340 0.013 0.000 0.278 322 L C 0.747 177.668 176.870 0.086 0.000 1.106 322 L CA 0.287 55.185 54.840 0.097 0.000 0.824 322 L CB 0.220 42.312 42.059 0.054 0.000 1.142 322 L HN 0.715 nan 8.230 nan 0.000 0.443 323 I N 2.715 123.344 120.570 0.098 0.000 2.385 323 I HA 0.088 4.265 4.170 0.013 0.000 0.244 323 I C 0.312 176.448 176.117 0.033 0.000 1.089 323 I CA 0.578 61.915 61.300 0.062 0.000 1.410 323 I CB 0.140 38.181 38.000 0.069 0.000 1.117 323 I HN 0.812 nan 8.210 nan 0.000 0.429 324 E N -0.176 120.046 120.200 0.036 0.000 2.422 324 E HA 0.711 5.068 4.350 0.013 0.000 0.280 324 E C -1.479 175.142 176.600 0.035 0.000 1.091 324 E CA -1.117 55.296 56.400 0.022 0.000 0.849 324 E CB 1.563 31.238 29.700 -0.041 0.000 1.353 324 E HN -0.033 nan 8.360 nan 0.000 0.449 325 A N 0.812 123.676 122.820 0.072 0.000 2.475 325 A HA 0.722 5.049 4.320 0.013 0.000 0.301 325 A C -1.080 176.600 177.584 0.160 0.000 1.059 325 A CA -0.718 51.362 52.037 0.071 0.000 0.710 325 A CB 1.794 20.835 19.000 0.068 0.000 1.288 325 A HN 0.503 nan 8.150 nan 0.000 0.408 326 E N -0.517 119.710 120.200 0.045 0.000 2.393 326 E HA 0.851 5.208 4.350 0.013 0.000 0.265 326 E C -0.534 176.107 176.600 0.068 0.000 0.941 326 E CA -0.511 55.990 56.400 0.169 0.000 0.801 326 E CB 2.399 32.114 29.700 0.025 0.000 1.313 326 E HN 1.267 nan 8.360 nan 0.000 0.435 327 A N -0.172 122.815 122.820 0.278 0.000 2.566 327 A HA 0.702 5.029 4.320 0.013 0.000 0.290 327 A C -1.183 176.601 177.584 0.332 0.000 1.071 327 A CA -0.386 51.727 52.037 0.125 0.000 0.658 327 A CB 0.708 19.662 19.000 -0.077 0.000 1.285 327 A HN 0.849 nan 8.150 nan 0.000 0.427 328 C N -0.578 118.866 119.300 0.240 0.000 3.288 328 C HA 0.826 5.294 4.460 0.013 0.000 0.318 328 C C -1.325 173.758 174.990 0.155 0.000 1.356 328 C CA -0.915 58.245 59.018 0.236 0.000 1.359 328 C CB 1.129 29.026 27.740 0.261 0.000 1.688 328 C HN 0.815 nan 8.230 nan 0.000 0.467 329 D N 0.988 121.466 120.400 0.130 0.000 2.302 329 D HA 0.565 5.213 4.640 0.013 0.000 0.248 329 D C -0.364 175.988 176.300 0.088 0.000 1.094 329 D CA 0.162 54.238 54.000 0.127 0.000 0.897 329 D CB 1.842 42.719 40.800 0.129 0.000 1.200 329 D HN 0.550 nan 8.370 nan 0.000 0.429 330 V N 1.035 121.024 119.914 0.126 0.000 2.604 330 V HA 0.667 4.795 4.120 0.013 0.000 0.305 330 V C 0.541 176.691 176.094 0.092 0.000 1.043 330 V CA -0.858 61.459 62.300 0.030 0.000 0.888 330 V CB 2.091 33.908 31.823 -0.010 0.000 0.995 330 V HN 0.608 nan 8.190 nan 0.000 0.429 331 G N 3.059 111.811 108.800 -0.079 0.000 2.502 331 G HA2 0.598 4.565 3.960 0.013 0.000 0.311 331 G HA3 0.598 4.565 3.960 0.013 0.000 0.311 331 G C -0.960 173.986 174.900 0.077 0.000 1.270 331 G CA -0.369 44.758 45.100 0.045 0.000 0.948 331 G HN 0.428 nan 8.290 nan 0.000 0.487 332 F N 4.106 124.243 119.950 0.311 0.000 2.462 332 F HA 0.414 4.948 4.527 0.012 0.000 0.360 332 F C 1.152 177.182 175.800 0.383 0.000 1.134 332 F CA -0.131 58.114 58.000 0.408 0.000 1.148 332 F CB 0.653 39.917 39.000 0.441 0.000 1.147 332 F HN 0.433 nan 8.300 nan 0.000 0.550 333 R N 3.053 123.819 120.500 0.444 0.000 2.643 333 R HA 0.438 4.785 4.340 0.013 0.000 0.269 333 R C -1.771 174.680 176.300 0.252 0.000 1.037 333 R CA -0.785 55.435 56.100 0.200 0.000 0.894 333 R CB 1.635 32.093 30.300 0.263 0.000 1.238 333 R HN 0.596 nan 8.270 nan 0.000 0.459 334 E N 2.180 122.440 120.200 0.100 0.000 2.187 334 E HA 0.461 4.819 4.350 0.013 0.000 0.268 334 E C -1.225 175.450 176.600 0.124 0.000 0.896 334 E CA -0.924 55.615 56.400 0.230 0.000 0.766 334 E CB 2.121 32.024 29.700 0.338 0.000 1.142 334 E HN 0.400 nan 8.360 nan 0.000 0.408 335 V N 5.685 125.666 119.914 0.111 0.000 2.409 335 V HA 0.557 4.685 4.120 0.013 0.000 0.291 335 V C -0.186 175.951 176.094 0.071 0.000 1.020 335 V CA -0.612 61.724 62.300 0.060 0.000 0.848 335 V CB 1.192 33.028 31.823 0.021 0.000 0.990 335 V HN 0.723 nan 8.190 nan 0.000 0.430 336 R N 4.274 124.813 120.500 0.065 0.000 2.710 336 R HA 0.735 5.083 4.340 0.013 0.000 0.270 336 R C -1.977 174.353 176.300 0.050 0.000 1.021 336 R CA -0.951 55.190 56.100 0.067 0.000 0.889 336 R CB 2.066 32.418 30.300 0.087 0.000 1.243 336 R HN 0.498 nan 8.270 nan 0.000 0.464 337 I N 1.105 121.705 120.570 0.049 0.000 2.354 337 I HA 0.357 4.535 4.170 0.013 0.000 0.292 337 I C -0.605 175.537 176.117 0.043 0.000 0.989 337 I CA -0.444 60.880 61.300 0.039 0.000 1.188 337 I CB 1.890 39.915 38.000 0.041 0.000 1.342 337 I HN 0.707 nan 8.210 nan 0.000 0.457 338 E N 5.610 125.832 120.200 0.036 0.000 2.290 338 E HA 0.268 4.626 4.350 0.013 0.000 0.274 338 E C -0.276 176.341 176.600 0.028 0.000 0.889 338 E CA -0.530 55.892 56.400 0.037 0.000 0.760 338 E CB 1.102 30.829 29.700 0.045 0.000 1.206 338 E HN 0.536 nan 8.360 nan 0.000 0.419 339 N N 2.904 121.620 118.700 0.026 0.000 2.714 339 N HA -0.232 4.515 4.740 0.013 0.000 0.250 339 N C 0.455 175.974 175.510 0.015 0.000 1.117 339 N CA 2.165 55.227 53.050 0.020 0.000 0.719 339 N CB -1.143 37.355 38.487 0.018 0.000 1.081 339 N HN 0.975 nan 8.380 nan 0.000 0.557 340 G N -2.393 106.416 108.800 0.016 0.000 2.175 340 G HA2 -0.271 3.696 3.960 0.013 0.000 0.244 340 G HA3 -0.271 3.696 3.960 0.013 0.000 0.244 340 G C -0.124 174.776 174.900 0.000 0.000 0.982 340 G CA 0.411 45.517 45.100 0.010 0.000 0.641 340 G HN 0.440 nan 8.290 nan 0.000 0.527 341 L N 0.298 121.521 121.223 0.001 0.000 2.365 341 L HA 0.705 5.053 4.340 0.013 0.000 0.273 341 L C 0.079 176.944 176.870 -0.008 0.000 1.000 341 L CA -1.323 53.510 54.840 -0.012 0.000 0.819 341 L CB 1.915 43.967 42.059 -0.012 0.000 1.284 341 L HN 0.102 nan 8.230 nan 0.000 0.418 342 L N 4.578 125.785 121.223 -0.026 0.000 2.315 342 L HA 0.408 4.756 4.340 0.013 0.000 0.283 342 L C -0.833 176.021 176.870 -0.027 0.000 1.089 342 L CA 0.458 55.283 54.840 -0.025 0.000 0.833 342 L CB 0.172 42.203 42.059 -0.048 0.000 1.170 342 L HN 0.388 nan 8.230 nan 0.000 0.442 343 L N 6.024 127.248 121.223 0.001 0.000 2.334 343 L HA 0.533 4.881 4.340 0.013 0.000 0.276 343 L C -0.730 176.153 176.870 0.022 0.000 1.014 343 L CA -0.787 54.064 54.840 0.018 0.000 0.815 343 L CB 1.869 43.961 42.059 0.054 0.000 1.268 343 L HN 0.555 nan 8.230 nan 0.000 0.428 344 L N 3.964 125.211 121.223 0.041 0.000 2.343 344 L HA 0.476 4.824 4.340 0.013 0.000 0.278 344 L C -0.274 176.609 176.870 0.022 0.000 0.996 344 L CA -0.086 54.778 54.840 0.040 0.000 0.831 344 L CB 0.844 42.926 42.059 0.038 0.000 1.232 344 L HN 0.610 nan 8.230 nan 0.000 0.413 345 N N 4.106 122.689 118.700 -0.196 0.000 2.727 345 N HA -0.215 4.532 4.740 0.013 0.000 0.249 345 N C 0.917 176.130 175.510 -0.494 0.000 1.048 345 N CA 1.302 53.915 53.050 -0.729 0.000 0.714 345 N CB -1.307 36.649 38.487 -0.886 0.000 0.959 345 N HN 1.162 nan 8.380 nan 0.000 0.544 346 G N -2.103 106.680 108.800 -0.028 0.000 2.184 346 G HA2 -0.362 3.605 3.960 0.013 0.000 0.264 346 G HA3 -0.362 3.605 3.960 0.013 0.000 0.264 346 G C -0.024 174.924 174.900 0.081 0.000 0.975 346 G CA 0.969 46.151 45.100 0.137 0.000 0.642 346 G HN 0.413 nan 8.290 nan 0.000 0.536 347 K N 0.758 121.200 120.400 0.071 0.000 2.207 347 K HA 0.562 4.890 4.320 0.013 0.000 0.255 347 K C -2.779 173.814 176.600 -0.012 0.000 0.941 347 K CA -2.343 53.946 56.287 0.003 0.000 0.825 347 K CB 2.301 34.738 32.500 -0.105 0.000 1.119 347 K HN 0.038 nan 8.250 nan 0.000 0.430 348 P HA 0.226 nan 4.420 nan 0.000 0.282 348 P C -0.067 177.184 177.300 -0.081 0.000 1.262 348 P CA -0.266 62.801 63.100 -0.054 0.000 0.773 348 P CB 0.548 32.215 31.700 -0.055 0.000 0.879 349 L N 3.190 124.361 121.223 -0.086 0.000 2.453 349 L HA 0.297 4.644 4.340 0.013 0.000 0.261 349 L C 0.623 177.423 176.870 -0.116 0.000 1.179 349 L CA -0.592 54.187 54.840 -0.101 0.000 0.813 349 L CB 0.318 42.275 42.059 -0.171 0.000 1.110 349 L HN 0.260 nan 8.230 nan 0.000 0.466 350 L N 3.468 124.638 121.223 -0.088 0.000 2.401 350 L HA 0.401 4.749 4.340 0.013 0.000 0.263 350 L C -0.509 176.322 176.870 -0.064 0.000 1.004 350 L CA -0.189 54.582 54.840 -0.115 0.000 0.881 350 L CB 0.762 42.778 42.059 -0.072 0.000 1.219 350 L HN 0.245 nan 8.230 nan 0.000 0.441 351 I N 4.651 125.114 120.570 -0.178 0.000 2.421 351 I HA 0.154 4.331 4.170 0.013 0.000 0.291 351 I C 0.609 176.697 176.117 -0.048 0.000 1.089 351 I CA 0.289 61.496 61.300 -0.156 0.000 1.354 351 I CB 0.282 38.062 38.000 -0.366 0.000 1.413 351 I HN 0.564 nan 8.210 nan 0.000 0.513 352 R N 4.822 125.380 120.500 0.097 0.000 3.070 352 R HA 0.418 4.766 4.340 0.013 0.000 0.252 352 R C 0.551 176.995 176.300 0.240 0.000 1.370 352 R CA -0.263 55.933 56.100 0.160 0.000 1.482 352 R CB 0.727 30.939 30.300 -0.147 0.000 1.220 352 R HN 0.762 nan 8.270 nan 0.000 0.622 353 G N 0.080 108.991 108.800 0.185 0.000 2.509 353 G HA2 0.573 4.540 3.960 0.013 0.000 0.328 353 G HA3 0.573 4.540 3.960 0.013 0.000 0.328 353 G C -1.284 173.947 174.900 0.552 0.000 1.194 353 G CA -0.444 44.761 45.100 0.174 0.000 0.967 353 G HN 0.222 nan 8.290 nan 0.000 0.488 354 V N 0.134 120.337 119.914 0.481 0.000 2.971 354 V HA 0.462 4.590 4.120 0.013 0.000 0.309 354 V C -1.080 175.170 176.094 0.260 0.000 1.130 354 V CA -1.223 61.241 62.300 0.274 0.000 0.964 354 V CB 2.206 33.890 31.823 -0.232 0.000 1.029 354 V HN 0.758 nan 8.190 nan 0.000 0.427 355 N N 4.414 123.197 118.700 0.138 0.000 2.514 355 N HA 0.420 5.167 4.740 0.013 0.000 0.277 355 N C -0.717 174.648 175.510 -0.242 0.000 1.126 355 N CA -0.269 52.734 53.050 -0.078 0.000 0.978 355 N CB 1.471 39.896 38.487 -0.103 0.000 1.106 355 N HN 0.616 nan 8.380 nan 0.000 0.461 356 R N 2.197 122.519 120.500 -0.298 0.000 2.502 356 R HA 0.217 4.565 4.340 0.013 0.000 0.298 356 R C -0.886 175.204 176.300 -0.349 0.000 1.018 356 R CA -0.548 55.394 56.100 -0.264 0.000 0.899 356 R CB 0.824 30.943 30.300 -0.301 0.000 1.181 356 R HN 0.590 nan 8.270 nan 0.000 0.444 357 H N 2.135 121.083 119.070 -0.203 0.000 2.546 357 H HA 0.123 4.687 4.556 0.013 0.000 0.365 357 H C -0.459 174.877 175.328 0.013 0.000 1.220 357 H CA 0.095 56.110 56.048 -0.055 0.000 1.386 357 H CB 1.401 31.186 29.762 0.039 0.000 1.510 357 H HN 0.552 nan 8.280 nan 0.000 0.591 358 E N 1.795 122.185 120.200 0.317 0.000 1.963 358 E HA 0.113 4.471 4.350 0.013 0.000 0.274 358 E C -0.758 175.980 176.600 0.230 0.000 1.061 358 E CA -0.052 56.455 56.400 0.178 0.000 0.847 358 E CB 0.291 30.110 29.700 0.199 0.000 1.083 358 E HN 0.377 nan 8.360 nan 0.000 0.402 359 H N 1.606 120.731 119.070 0.092 0.000 2.954 359 H HA 0.270 4.834 4.556 0.013 0.000 0.361 359 H C -1.706 173.667 175.328 0.075 0.000 1.122 359 H CA -0.652 55.445 56.048 0.081 0.000 1.217 359 H CB 1.108 30.909 29.762 0.065 0.000 1.776 359 H HN 0.391 nan 8.280 nan 0.000 0.533 360 H N 5.971 124.582 119.070 -0.765 0.000 2.759 360 H HA 0.223 4.786 4.556 0.013 0.000 0.354 360 H C -2.387 172.552 175.328 -0.648 0.000 1.074 360 H CA -2.360 53.408 56.048 -0.467 0.000 1.226 360 H CB 2.736 32.369 29.762 -0.215 0.000 1.648 360 H HN 0.525 nan 8.280 nan 0.000 0.529 361 P HA -0.050 nan 4.420 nan 0.000 0.222 361 P C 1.125 178.334 177.300 -0.151 0.000 1.147 361 P CA 0.757 63.719 63.100 -0.229 0.000 0.790 361 P CB 0.746 32.337 31.700 -0.183 0.000 0.780 362 L N -1.925 119.309 121.223 0.018 0.000 2.362 362 L HA 0.133 4.481 4.340 0.013 0.000 0.204 362 L C 2.060 178.717 176.870 -0.355 0.000 1.060 362 L CA 0.691 55.409 54.840 -0.203 0.000 0.827 362 L CB -0.851 40.961 42.059 -0.413 0.000 1.027 362 L HN -0.011 nan 8.230 nan 0.000 0.474 363 H N -0.264 118.768 119.070 -0.063 0.000 2.551 363 H HA 0.326 4.890 4.556 0.012 0.000 0.271 363 H C 1.371 176.591 175.328 -0.179 0.000 0.984 363 H CA 0.247 56.169 56.048 -0.210 0.000 1.164 363 H CB 0.505 30.044 29.762 -0.372 0.000 1.437 363 H HN 0.388 nan 8.280 nan 0.000 0.550 364 G N 1.388 110.093 108.800 -0.159 0.000 2.588 364 G HA2 -0.362 3.606 3.960 0.013 0.000 0.273 364 G HA3 -0.362 3.606 3.960 0.013 0.000 0.273 364 G C 0.581 175.391 174.900 -0.150 0.000 1.211 364 G CA 0.235 45.203 45.100 -0.220 0.000 0.958 364 G HN 0.440 nan 8.290 nan 0.000 0.543 365 Q N -0.057 119.684 119.800 -0.099 0.000 2.188 365 Q HA 0.474 4.822 4.340 0.013 0.000 0.212 365 Q C 0.194 176.288 176.000 0.158 0.000 0.846 365 Q CA -0.129 55.662 55.803 -0.019 0.000 0.989 365 Q CB 1.469 30.083 28.738 -0.206 0.000 1.114 365 Q HN 0.372 nan 8.270 nan 0.000 0.488 366 V N 2.170 122.155 119.914 0.118 0.000 2.455 366 V HA 0.167 4.295 4.120 0.013 0.000 0.273 366 V C 0.201 176.342 176.094 0.078 0.000 1.045 366 V CA 0.178 62.556 62.300 0.130 0.000 0.976 366 V CB 0.809 32.649 31.823 0.029 0.000 0.993 366 V HN 0.334 nan 8.190 nan 0.000 0.475 367 M N 4.752 124.397 119.600 0.075 0.000 2.423 367 M HA 0.497 4.985 4.480 0.013 0.000 0.335 367 M C -0.479 175.752 176.300 -0.115 0.000 1.177 367 M CA -0.562 54.726 55.300 -0.019 0.000 1.038 367 M CB 1.638 34.188 32.600 -0.084 0.000 1.641 367 M HN 0.929 nan 8.290 nan 0.000 0.455 368 D N -1.303 119.044 120.400 -0.089 0.000 2.601 368 D HA 0.245 4.893 4.640 0.013 0.000 0.230 368 D C 0.351 176.626 176.300 -0.042 0.000 1.106 368 D CA -0.683 53.271 54.000 -0.076 0.000 0.873 368 D CB 1.412 42.194 40.800 -0.030 0.000 1.515 368 D HN 0.688 nan 8.370 nan 0.000 0.468 369 E N 0.065 120.254 120.200 -0.018 0.000 2.085 369 E HA -0.329 4.028 4.350 0.013 0.000 0.194 369 E C 1.574 178.216 176.600 0.071 0.000 0.994 369 E CA 1.282 57.703 56.400 0.036 0.000 0.801 369 E CB 0.121 29.858 29.700 0.061 0.000 0.743 369 E HN 0.600 nan 8.360 nan 0.000 0.453 370 Q N -0.336 119.507 119.800 0.071 0.000 2.084 370 Q HA -0.146 4.202 4.340 0.013 0.000 0.202 370 Q C 2.044 178.104 176.000 0.100 0.000 0.978 370 Q CA 2.011 57.866 55.803 0.086 0.000 0.844 370 Q CB -0.012 28.778 28.738 0.086 0.000 0.898 370 Q HN 0.326 nan 8.270 nan 0.000 0.426 371 T N 0.876 115.496 114.554 0.111 0.000 2.777 371 T HA -0.103 4.255 4.350 0.013 0.000 0.266 371 T C 1.888 176.662 174.700 0.123 0.000 1.040 371 T CA 1.268 63.445 62.100 0.129 0.000 1.141 371 T CB -0.122 68.853 68.868 0.177 0.000 0.868 371 T HN 0.278 nan 8.240 nan 0.000 0.444 372 M N 0.561 120.236 119.600 0.125 0.000 2.108 372 M HA -0.103 4.384 4.480 0.013 0.000 0.261 372 M C 2.455 178.882 176.300 0.213 0.000 1.066 372 M CA 1.338 56.782 55.300 0.239 0.000 1.107 372 M CB -0.609 32.169 32.600 0.297 0.000 1.356 372 M HN 0.099 nan 8.290 nan 0.000 0.406 373 V N 0.242 120.218 119.914 0.103 0.000 2.343 373 V HA -0.307 3.821 4.120 0.013 0.000 0.247 373 V C 2.333 178.413 176.094 -0.022 0.000 1.051 373 V CA 2.101 64.395 62.300 -0.011 0.000 1.036 373 V CB -0.847 31.007 31.823 0.052 0.000 0.654 373 V HN 0.565 nan 8.190 nan 0.000 0.451 374 Q N -0.316 119.519 119.800 0.060 0.000 2.061 374 Q HA -0.277 4.070 4.340 0.013 0.000 0.204 374 Q C 1.984 178.051 176.000 0.113 0.000 0.984 374 Q CA 2.232 58.085 55.803 0.084 0.000 0.846 374 Q CB -0.148 28.655 28.738 0.108 0.000 0.902 374 Q HN 0.623 nan 8.270 nan 0.000 0.421 375 D N 0.320 120.805 120.400 0.141 0.000 2.097 375 D HA -0.146 4.502 4.640 0.013 0.000 0.195 375 D C 1.956 178.225 176.300 -0.053 0.000 0.989 375 D CA 1.194 55.280 54.000 0.143 0.000 0.827 375 D CB -0.235 40.624 40.800 0.098 0.000 0.966 375 D HN 0.355 nan 8.370 nan 0.000 0.456 376 I N 0.781 121.313 120.570 -0.063 0.000 2.208 376 I HA -0.247 3.930 4.170 0.013 0.000 0.245 376 I C 2.454 178.441 176.117 -0.215 0.000 1.097 376 I CA 0.679 61.834 61.300 -0.241 0.000 1.363 376 I CB -0.164 37.555 38.000 -0.468 0.000 1.051 376 I HN 0.013 nan 8.210 nan 0.000 0.413 377 L N 0.089 121.218 121.223 -0.157 0.000 2.042 377 L HA -0.239 4.108 4.340 0.013 0.000 0.210 377 L C 2.562 179.498 176.870 0.110 0.000 1.076 377 L CA 1.529 56.364 54.840 -0.007 0.000 0.749 377 L CB -0.629 41.448 42.059 0.031 0.000 0.893 377 L HN 0.311 nan 8.230 nan 0.000 0.432 378 L N -1.059 120.249 121.223 0.142 0.000 2.093 378 L HA -0.208 4.140 4.340 0.013 0.000 0.208 378 L C 2.670 179.698 176.870 0.263 0.000 1.085 378 L CA 1.109 56.115 54.840 0.276 0.000 0.755 378 L CB -0.268 42.064 42.059 0.454 0.000 0.904 378 L HN 0.269 nan 8.230 nan 0.000 0.435 379 M N -0.556 119.019 119.600 -0.042 0.000 2.067 379 M HA -0.236 4.251 4.480 0.013 0.000 0.260 379 M C 2.277 178.661 176.300 0.139 0.000 1.069 379 M CA 1.884 57.092 55.300 -0.153 0.000 1.117 379 M CB -0.332 31.946 32.600 -0.537 0.000 1.334 379 M HN 0.047 nan 8.290 nan 0.000 0.407 380 K N -0.005 120.380 120.400 -0.025 0.000 2.057 380 K HA -0.187 4.141 4.320 0.013 0.000 0.207 380 K C 1.989 178.589 176.600 0.000 0.000 1.049 380 K CA 1.373 57.547 56.287 -0.190 0.000 0.931 380 K CB -0.238 31.925 32.500 -0.563 0.000 0.714 380 K HN 0.447 nan 8.250 nan 0.000 0.440 381 Q N 0.345 120.304 119.800 0.265 0.000 2.291 381 Q HA -0.047 4.300 4.340 0.013 0.000 0.206 381 Q C 0.760 177.064 176.000 0.506 0.000 0.976 381 Q CA 0.742 56.811 55.803 0.445 0.000 0.875 381 Q CB 0.123 29.099 28.738 0.396 0.000 0.927 381 Q HN 0.271 nan 8.270 nan 0.000 0.450 382 N N 0.714 119.668 118.700 0.423 0.000 2.320 382 N HA 0.051 4.799 4.740 0.013 0.000 0.237 382 N C -0.646 174.973 175.510 0.183 0.000 1.129 382 N CA 0.026 53.315 53.050 0.399 0.000 0.854 382 N CB 0.662 39.468 38.487 0.532 0.000 1.083 382 N HN 0.156 nan 8.380 nan 0.000 0.504 383 N N 0.135 118.949 118.700 0.190 0.000 2.741 383 N HA -0.190 4.558 4.740 0.013 0.000 0.250 383 N C -0.831 174.607 175.510 -0.119 0.000 1.115 383 N CA 0.799 53.916 53.050 0.113 0.000 0.724 383 N CB -1.760 36.719 38.487 -0.013 0.000 1.090 383 N HN 0.263 nan 8.380 nan 0.000 0.558 384 F N 1.070 121.051 119.950 0.051 0.000 2.375 384 F HA 0.286 4.820 4.527 0.012 0.000 0.333 384 F C 1.798 177.598 175.800 0.000 0.000 1.104 384 F CA -0.536 57.477 58.000 0.020 0.000 1.149 384 F CB 0.762 39.751 39.000 -0.018 0.000 1.190 384 F HN 0.051 nan 8.300 nan 0.000 0.533 385 N N 0.683 119.508 118.700 0.209 0.000 2.170 385 N HA 0.454 5.201 4.740 0.013 0.000 0.222 385 N C -0.851 174.713 175.510 0.089 0.000 1.218 385 N CA 0.008 53.105 53.050 0.079 0.000 0.889 385 N CB 0.777 39.347 38.487 0.139 0.000 1.083 385 N HN 0.494 nan 8.380 nan 0.000 0.520 386 A N -0.637 122.312 122.820 0.215 0.000 2.604 386 A HA 0.732 5.060 4.320 0.013 0.000 0.295 386 A C -1.856 175.961 177.584 0.388 0.000 1.067 386 A CA -0.656 51.575 52.037 0.324 0.000 0.683 386 A CB 1.650 20.857 19.000 0.344 0.000 1.281 386 A HN 0.251 nan 8.150 nan 0.000 0.407 387 V N 1.076 121.275 119.914 0.475 0.000 2.888 387 V HA 0.810 4.937 4.120 0.013 0.000 0.309 387 V C -0.676 175.575 176.094 0.261 0.000 1.114 387 V CA -0.680 61.853 62.300 0.389 0.000 0.940 387 V CB 1.922 33.901 31.823 0.260 0.000 1.021 387 V HN 1.159 nan 8.190 nan 0.000 0.426 388 R N 4.758 125.254 120.500 -0.007 0.000 2.393 388 R HA 0.500 4.847 4.340 0.013 0.000 0.310 388 R C -0.738 175.434 176.300 -0.213 0.000 0.968 388 R CA -0.458 55.451 56.100 -0.318 0.000 0.867 388 R CB 1.183 31.061 30.300 -0.702 0.000 1.124 388 R HN 0.809 nan 8.270 nan 0.000 0.450 389 C N 4.446 123.645 119.300 -0.167 0.000 2.896 389 C HA 0.123 4.591 4.460 0.013 0.000 0.499 389 C C 0.443 175.157 174.990 -0.460 0.000 1.022 389 C CA -0.453 58.417 59.018 -0.247 0.000 1.127 389 C CB -2.099 25.609 27.740 -0.052 0.000 1.452 389 C HN 0.726 nan 8.230 nan 0.000 0.580 390 S N 1.433 116.735 115.700 -0.663 0.000 2.488 390 S HA 0.176 4.654 4.470 0.013 0.000 0.278 390 S C -0.098 173.598 174.600 -1.507 0.000 1.259 390 S CA 0.102 57.630 58.200 -1.119 0.000 1.061 390 S CB 0.176 62.658 63.200 -1.197 0.000 0.910 390 S HN 0.730 nan 8.310 nan 0.000 0.491 391 H N 3.621 122.077 119.070 -1.024 0.000 2.439 391 H HA 0.324 4.887 4.556 0.012 0.000 0.230 391 H C -1.181 174.005 175.328 -0.236 0.000 1.420 391 H CA -0.343 55.489 56.048 -0.361 0.000 1.305 391 H CB -0.173 29.578 29.762 -0.017 0.000 1.667 391 H HN 0.884 nan 8.280 nan 0.000 0.515 392 Y N -2.913 117.487 120.300 0.167 0.000 2.765 392 Y HA 0.375 4.933 4.550 0.013 0.000 0.350 392 Y C -3.297 172.709 175.900 0.178 0.000 1.196 392 Y CA -3.123 55.086 58.100 0.182 0.000 1.119 392 Y CB -0.037 38.536 38.460 0.188 0.000 1.368 392 Y HN -0.089 nan 8.280 nan 0.000 0.463 393 P HA 0.129 nan 4.420 nan 0.000 0.268 393 P C -0.543 177.044 177.300 0.477 0.000 1.205 393 P CA 0.228 63.577 63.100 0.415 0.000 0.771 393 P CB 0.578 32.457 31.700 0.297 0.000 0.858 394 N N 0.580 119.571 118.700 0.485 0.000 2.448 394 N HA 0.083 4.831 4.740 0.013 0.000 0.274 394 N C 0.154 175.901 175.510 0.395 0.000 1.239 394 N CA -0.583 52.672 53.050 0.341 0.000 0.982 394 N CB 0.338 38.831 38.487 0.009 0.000 1.199 394 N HN 0.599 nan 8.380 nan 0.000 0.576 395 H N 1.930 121.105 119.070 0.175 0.000 2.972 395 H HA 0.007 4.570 4.556 0.012 0.000 0.343 395 H C -1.642 173.852 175.328 0.277 0.000 1.054 395 H CA -0.786 55.354 56.048 0.153 0.000 1.412 395 H CB 1.044 30.861 29.762 0.092 0.000 1.385 395 H HN 0.420 nan 8.280 nan 0.000 0.600 396 P HA -0.202 nan 4.420 nan 0.000 0.217 396 P C 1.795 179.392 177.300 0.495 0.000 1.148 396 P CA 0.699 64.019 63.100 0.367 0.000 0.828 396 P CB 0.215 31.988 31.700 0.123 0.000 0.783 397 L N -1.101 120.501 121.223 0.632 0.000 2.201 397 L HA -0.038 4.310 4.340 0.013 0.000 0.212 397 L C 2.348 179.401 176.870 0.305 0.000 1.105 397 L CA 1.342 56.430 54.840 0.414 0.000 0.775 397 L CB -1.407 40.846 42.059 0.324 0.000 0.913 397 L HN 0.030 nan 8.230 nan 0.000 0.440 398 W N -0.643 120.696 121.300 0.064 0.000 2.342 398 W HA -0.313 4.354 4.660 0.012 0.000 0.297 398 W C 1.980 178.349 176.519 -0.249 0.000 1.213 398 W CA 1.660 58.906 57.345 -0.165 0.000 1.251 398 W CB -0.259 28.996 29.460 -0.342 0.000 1.136 398 W HN 0.268 nan 8.180 nan 0.000 0.526 399 Y N 0.693 120.927 120.300 -0.110 0.000 2.242 399 Y HA -0.196 4.362 4.550 0.012 0.000 0.291 399 Y C 2.834 178.500 175.900 -0.389 0.000 1.137 399 Y CA 2.098 59.911 58.100 -0.478 0.000 1.181 399 Y CB -1.211 36.609 38.460 -1.066 0.000 0.989 399 Y HN -0.236 nan 8.280 nan 0.000 0.527 400 T N 0.673 115.236 114.554 0.016 0.000 2.746 400 T HA -0.150 4.208 4.350 0.013 0.000 0.267 400 T C 1.994 176.730 174.700 0.061 0.000 1.039 400 T CA 1.327 63.513 62.100 0.142 0.000 1.142 400 T CB -0.515 68.481 68.868 0.213 0.000 0.866 400 T HN 0.237 nan 8.240 nan 0.000 0.444 401 L N 0.335 121.551 121.223 -0.011 0.000 2.056 401 L HA -0.088 4.259 4.340 0.013 0.000 0.207 401 L C 2.860 179.696 176.870 -0.058 0.000 1.078 401 L CA 0.895 55.749 54.840 0.024 0.000 0.749 401 L CB -0.692 41.343 42.059 -0.039 0.000 0.901 401 L HN 0.371 nan 8.230 nan 0.000 0.433 402 C N -0.220 118.867 119.300 -0.354 0.000 2.440 402 C HA -0.139 4.328 4.460 0.013 0.000 0.278 402 C C 2.402 177.425 174.990 0.056 0.000 1.295 402 C CA 0.400 59.248 59.018 -0.282 0.000 1.738 402 C CB -0.782 26.683 27.740 -0.459 0.000 1.987 402 C HN 0.536 nan 8.230 nan 0.000 0.492 403 D N 0.449 120.890 120.400 0.070 0.000 2.117 403 D HA -0.097 4.551 4.640 0.013 0.000 0.197 403 D C 2.405 178.915 176.300 0.350 0.000 0.987 403 D CA 1.214 55.338 54.000 0.207 0.000 0.829 403 D CB -0.311 40.570 40.800 0.136 0.000 0.961 403 D HN 0.524 nan 8.370 nan 0.000 0.460 404 R N -1.125 119.475 120.500 0.167 0.000 2.100 404 R HA 0.035 4.383 4.340 0.013 0.000 0.220 404 R C 2.062 178.338 176.300 -0.041 0.000 1.091 404 R CA 0.473 56.609 56.100 0.060 0.000 0.986 404 R CB -0.122 30.148 30.300 -0.051 0.000 0.888 404 R HN 0.264 nan 8.270 nan 0.000 0.444 405 Y N -0.007 120.302 120.300 0.015 0.000 2.420 405 Y HA 0.162 4.719 4.550 0.012 0.000 0.292 405 Y C 0.930 176.758 175.900 -0.120 0.000 1.119 405 Y CA 0.779 58.862 58.100 -0.029 0.000 1.229 405 Y CB 0.733 39.148 38.460 -0.075 0.000 1.026 405 Y HN 0.226 nan 8.280 nan 0.000 0.554 406 G N 1.241 110.073 108.800 0.052 0.000 2.897 406 G HA2 -0.150 3.817 3.960 0.013 0.000 0.436 406 G HA3 -0.150 3.817 3.960 0.013 0.000 0.436 406 G C -1.203 173.549 174.900 -0.246 0.000 1.079 406 G CA -0.530 44.477 45.100 -0.155 0.000 1.090 406 G HN 0.167 nan 8.290 nan 0.000 0.480 407 L N 1.146 122.296 121.223 -0.121 0.000 2.482 407 L HA 0.489 4.837 4.340 0.013 0.000 0.263 407 L C -0.036 176.860 176.870 0.042 0.000 0.957 407 L CA -1.287 53.448 54.840 -0.176 0.000 0.836 407 L CB 2.026 44.002 42.059 -0.137 0.000 1.324 407 L HN 0.488 nan 8.230 nan 0.000 0.406 408 Y N 1.713 122.154 120.300 0.235 0.000 2.359 408 Y HA 0.379 4.938 4.550 0.015 0.000 0.330 408 Y C 0.205 176.241 175.900 0.227 0.000 1.143 408 Y CA -0.761 57.511 58.100 0.288 0.000 1.318 408 Y CB 1.295 39.902 38.460 0.244 0.000 1.234 408 Y HN 0.156 nan 8.280 nan 0.000 0.522 409 V N 4.401 124.510 119.914 0.325 0.000 2.555 409 V HA 0.308 4.435 4.120 0.013 0.000 0.302 409 V C -0.508 175.674 176.094 0.146 0.000 1.038 409 V CA -1.007 61.423 62.300 0.216 0.000 0.887 409 V CB 1.884 33.795 31.823 0.146 0.000 0.991 409 V HN 0.459 nan 8.190 nan 0.000 0.434 410 V N 3.314 123.282 119.914 0.091 0.000 2.333 410 V HA 0.331 4.459 4.120 0.013 0.000 0.274 410 V C -0.297 175.837 176.094 0.068 0.000 1.028 410 V CA -0.355 61.950 62.300 0.008 0.000 0.851 410 V CB 1.411 33.132 31.823 -0.170 0.000 1.000 410 V HN 0.871 nan 8.190 nan 0.000 0.456 411 D N 4.130 124.612 120.400 0.137 0.000 2.249 411 D HA 0.358 5.006 4.640 0.013 0.000 0.246 411 D C -0.285 176.212 176.300 0.328 0.000 1.114 411 D CA -0.145 54.032 54.000 0.295 0.000 0.854 411 D CB 1.471 42.495 40.800 0.373 0.000 1.132 411 D HN 0.702 nan 8.370 nan 0.000 0.461 412 E N 1.821 122.177 120.200 0.260 0.000 2.210 412 E HA 0.635 4.992 4.350 0.013 0.000 0.266 412 E C -1.125 175.612 176.600 0.228 0.000 0.883 412 E CA -1.038 55.499 56.400 0.228 0.000 0.761 412 E CB 1.403 31.186 29.700 0.138 0.000 1.156 412 E HN 0.434 nan 8.360 nan 0.000 0.412 413 A N 3.740 126.686 122.820 0.210 0.000 2.445 413 A HA 0.111 4.439 4.320 0.013 0.000 0.242 413 A C 0.290 177.995 177.584 0.201 0.000 1.075 413 A CA -0.292 51.848 52.037 0.172 0.000 0.777 413 A CB 0.191 19.257 19.000 0.110 0.000 1.013 413 A HN 0.699 nan 8.150 nan 0.000 0.493 414 N N 1.160 119.987 118.700 0.211 0.000 3.178 414 N HA 0.252 4.999 4.740 0.013 0.000 0.300 414 N C -1.080 174.557 175.510 0.212 0.000 1.242 414 N CA 0.215 53.423 53.050 0.265 0.000 1.192 414 N CB -0.855 37.792 38.487 0.267 0.000 1.463 414 N HN 0.477 nan 8.380 nan 0.000 0.539 415 I N 0.951 121.638 120.570 0.196 0.000 2.497 415 I HA 0.258 4.436 4.170 0.013 0.000 0.284 415 I C -0.562 175.654 176.117 0.165 0.000 1.060 415 I CA -0.586 60.812 61.300 0.163 0.000 1.071 415 I CB 1.676 39.743 38.000 0.112 0.000 1.216 415 I HN 0.228 nan 8.210 nan 0.000 0.442 416 E N 4.320 124.615 120.200 0.158 0.000 2.274 416 E HA 0.384 4.742 4.350 0.013 0.000 0.269 416 E C -0.530 176.132 176.600 0.104 0.000 0.891 416 E CA -0.498 55.968 56.400 0.109 0.000 0.784 416 E CB 1.577 31.329 29.700 0.087 0.000 1.225 416 E HN 0.573 nan 8.360 nan 0.000 0.412 417 T N 0.659 115.263 114.554 0.083 0.000 3.374 417 T HA 0.169 4.526 4.350 0.013 0.000 0.267 417 T C 0.841 175.586 174.700 0.074 0.000 0.996 417 T CA -0.335 61.840 62.100 0.124 0.000 0.977 417 T CB -0.261 68.661 68.868 0.090 0.000 1.149 417 T HN 0.658 nan 8.240 nan 0.000 0.517 418 H N 1.228 120.209 119.070 -0.149 0.000 2.353 418 H HA -0.029 4.535 4.556 0.013 0.000 0.298 418 H C 2.343 177.546 175.328 -0.209 0.000 1.103 418 H CA 1.352 57.286 56.048 -0.191 0.000 1.293 418 H CB -0.177 29.434 29.762 -0.252 0.000 1.372 418 H HN 0.584 nan 8.280 nan 0.000 0.501 419 G N 0.206 108.875 108.800 -0.219 0.000 2.776 419 G HA2 -0.056 3.912 3.960 0.013 0.000 0.209 419 G HA3 -0.056 3.912 3.960 0.013 0.000 0.209 419 G C 0.460 175.478 174.900 0.197 0.000 1.145 419 G CA -0.100 44.903 45.100 -0.163 0.000 0.791 419 G HN 0.153 nan 8.290 nan 0.000 0.530 420 M N 0.264 120.018 119.600 0.256 0.000 2.198 420 M HA 0.327 4.815 4.480 0.013 0.000 0.315 420 M C -0.352 175.986 176.300 0.063 0.000 1.134 420 M CA -0.282 55.117 55.300 0.165 0.000 1.171 420 M CB 1.389 34.035 32.600 0.077 0.000 1.413 420 M HN -0.207 nan 8.290 nan 0.000 0.467 421 V N 3.525 123.454 119.914 0.024 0.000 2.482 421 V HA 0.365 4.492 4.120 0.013 0.000 0.295 421 V C -1.962 174.125 176.094 -0.013 0.000 1.026 421 V CA -1.293 61.007 62.300 -0.001 0.000 0.856 421 V CB 1.751 33.569 31.823 -0.009 0.000 1.001 421 V HN 0.732 nan 8.190 nan 0.000 0.424 422 P HA 0.249 nan 4.420 nan 0.000 0.277 422 P C 0.968 178.268 177.300 -0.001 0.000 1.276 422 P CA -0.499 62.595 63.100 -0.009 0.000 0.788 422 P CB 1.058 32.754 31.700 -0.007 0.000 1.114 423 M N 0.393 119.995 119.600 0.004 0.000 2.279 423 M HA -0.147 4.341 4.480 0.013 0.000 0.264 423 M C 1.140 177.453 176.300 0.021 0.000 1.062 423 M CA 1.631 56.940 55.300 0.014 0.000 1.099 423 M CB -0.470 32.123 32.600 -0.012 0.000 1.394 423 M HN 0.360 nan 8.290 nan 0.000 0.426 424 N N -0.062 118.652 118.700 0.023 0.000 2.322 424 N HA -0.067 4.681 4.740 0.013 0.000 0.216 424 N C 1.086 176.572 175.510 -0.039 0.000 1.144 424 N CA 0.105 53.168 53.050 0.022 0.000 0.830 424 N CB -0.723 37.795 38.487 0.052 0.000 1.034 424 N HN 0.363 nan 8.380 nan 0.000 0.484 425 R N 0.470 120.935 120.500 -0.058 0.000 2.103 425 R HA -0.021 4.327 4.340 0.013 0.000 0.242 425 R C 1.449 177.649 176.300 -0.167 0.000 1.142 425 R CA 1.325 57.369 56.100 -0.094 0.000 0.960 425 R CB -0.067 30.178 30.300 -0.092 0.000 0.858 425 R HN 0.284 nan 8.270 nan 0.000 0.439 426 L N -0.337 120.720 121.223 -0.277 0.000 2.127 426 L HA -0.039 4.308 4.340 0.013 0.000 0.203 426 L C 2.568 179.292 176.870 -0.243 0.000 1.080 426 L CA 1.464 56.017 54.840 -0.477 0.000 0.768 426 L CB -0.656 40.894 42.059 -0.848 0.000 0.924 426 L HN 0.393 nan 8.230 nan 0.000 0.444 427 T N -4.294 110.144 114.554 -0.194 0.000 3.007 427 T HA -0.171 4.187 4.350 0.013 0.000 0.270 427 T C 1.300 175.889 174.700 -0.186 0.000 1.107 427 T CA 1.239 63.202 62.100 -0.228 0.000 1.118 427 T CB -0.225 68.452 68.868 -0.318 0.000 0.889 427 T HN 0.112 nan 8.240 nan 0.000 0.506 428 D N 1.152 121.487 120.400 -0.108 0.000 2.339 428 D HA 0.105 4.752 4.640 0.013 0.000 0.217 428 D C -0.191 176.086 176.300 -0.038 0.000 1.050 428 D CA -0.135 53.819 54.000 -0.077 0.000 0.856 428 D CB -0.067 40.702 40.800 -0.051 0.000 0.922 428 D HN 0.360 nan 8.370 nan 0.000 0.518 429 D N -0.199 120.194 120.400 -0.011 0.000 2.280 429 D HA 0.121 4.769 4.640 0.013 0.000 0.236 429 D C -1.657 174.690 176.300 0.078 0.000 1.082 429 D CA -2.222 51.809 54.000 0.052 0.000 0.834 429 D CB 2.047 42.921 40.800 0.123 0.000 1.100 429 D HN -0.047 nan 8.370 nan 0.000 0.486 430 P HA -0.120 nan 4.420 nan 0.000 0.221 430 P C 0.939 178.240 177.300 0.002 0.000 1.145 430 P CA 0.738 63.843 63.100 0.010 0.000 0.795 430 P CB 0.336 32.032 31.700 -0.007 0.000 0.775 431 R N -1.804 118.705 120.500 0.016 0.000 2.237 431 R HA -0.061 4.286 4.340 0.013 0.000 0.219 431 R C 1.506 177.689 176.300 -0.195 0.000 1.080 431 R CA 1.064 57.108 56.100 -0.093 0.000 0.995 431 R CB -0.496 29.729 30.300 -0.125 0.000 0.875 431 R HN 0.321 nan 8.270 nan 0.000 0.462 432 W N -0.102 121.141 121.300 -0.095 0.000 3.220 432 W HA 0.131 4.798 4.660 0.012 0.000 0.328 432 W C 1.436 177.891 176.519 -0.105 0.000 1.205 432 W CA -0.500 56.788 57.345 -0.096 0.000 1.773 432 W CB 0.141 29.541 29.460 -0.099 0.000 1.086 432 W HN 0.002 nan 8.180 nan 0.000 0.622 433 L N 2.085 123.329 121.223 0.034 0.000 2.046 433 L HA -0.040 4.307 4.340 0.013 0.000 0.208 433 L C -0.729 176.101 176.870 -0.066 0.000 1.077 433 L CA 2.232 57.055 54.840 -0.028 0.000 0.747 433 L CB -1.650 40.382 42.059 -0.046 0.000 0.896 433 L HN -0.221 nan 8.230 nan 0.000 0.432 434 P HA -0.170 nan 4.420 nan 0.000 0.214 434 P C 1.645 178.885 177.300 -0.099 0.000 1.163 434 P CA 2.235 65.269 63.100 -0.111 0.000 0.883 434 P CB -0.207 31.416 31.700 -0.127 0.000 0.788 435 A N -1.088 121.684 122.820 -0.081 0.000 1.883 435 A HA -0.227 4.101 4.320 0.013 0.000 0.217 435 A C 2.244 179.838 177.584 0.016 0.000 1.186 435 A CA 2.104 54.128 52.037 -0.021 0.000 0.624 435 A CB -1.537 17.476 19.000 0.022 0.000 0.822 435 A HN 0.099 nan 8.150 nan 0.000 0.444 436 M N 0.242 119.863 119.600 0.035 0.000 2.086 436 M HA -0.173 4.315 4.480 0.013 0.000 0.261 436 M C 2.588 178.833 176.300 -0.092 0.000 1.067 436 M CA 1.886 57.181 55.300 -0.008 0.000 1.116 436 M CB -0.461 32.113 32.600 -0.044 0.000 1.348 436 M HN 0.686 nan 8.290 nan 0.000 0.407 437 S N 0.374 115.989 115.700 -0.142 0.000 2.374 437 S HA -0.211 4.266 4.470 0.013 0.000 0.227 437 S C 1.615 176.038 174.600 -0.296 0.000 1.037 437 S CA 1.632 59.679 58.200 -0.255 0.000 1.024 437 S CB -0.670 62.362 63.200 -0.279 0.000 0.861 437 S HN 0.531 nan 8.310 nan 0.000 0.456 438 E N 0.938 121.017 120.200 -0.202 0.000 2.150 438 E HA -0.076 4.282 4.350 0.013 0.000 0.193 438 E C 2.425 178.936 176.600 -0.149 0.000 0.985 438 E CA 0.813 57.102 56.400 -0.185 0.000 0.814 438 E CB -0.139 29.490 29.700 -0.119 0.000 0.752 438 E HN 0.602 nan 8.360 nan 0.000 0.466 439 R N 0.163 120.605 120.500 -0.096 0.000 2.115 439 R HA -0.066 4.282 4.340 0.013 0.000 0.230 439 R C 2.333 178.589 176.300 -0.074 0.000 1.111 439 R CA 0.699 56.774 56.100 -0.042 0.000 0.976 439 R CB -0.001 30.314 30.300 0.025 0.000 0.870 439 R HN 0.005 nan 8.270 nan 0.000 0.445 440 V N 0.306 120.132 119.914 -0.146 0.000 2.331 440 V HA -0.196 3.932 4.120 0.013 0.000 0.242 440 V C 2.522 178.438 176.094 -0.297 0.000 1.034 440 V CA 2.198 64.391 62.300 -0.178 0.000 1.027 440 V CB -0.414 31.298 31.823 -0.185 0.000 0.667 440 V HN 0.530 nan 8.190 nan 0.000 0.457 441 T N -0.734 113.516 114.554 -0.508 0.000 2.746 441 T HA -0.242 4.116 4.350 0.013 0.000 0.267 441 T C 1.938 176.469 174.700 -0.282 0.000 1.039 441 T CA 1.419 63.120 62.100 -0.666 0.000 1.142 441 T CB -0.428 67.832 68.868 -1.014 0.000 0.866 441 T HN 0.402 nan 8.240 nan 0.000 0.444 442 R N 0.279 120.641 120.500 -0.230 0.000 2.148 442 R HA 0.182 4.529 4.340 0.013 0.000 0.227 442 R C 2.638 178.854 176.300 -0.139 0.000 1.103 442 R CA 1.378 57.383 56.100 -0.160 0.000 0.983 442 R CB -0.461 29.756 30.300 -0.138 0.000 0.874 442 R HN 0.505 nan 8.270 nan 0.000 0.451 443 M N 0.527 120.052 119.600 -0.125 0.000 2.099 443 M HA -0.126 4.362 4.480 0.013 0.000 0.262 443 M C 1.829 178.044 176.300 -0.142 0.000 1.067 443 M CA 1.623 56.877 55.300 -0.076 0.000 1.124 443 M CB 0.121 32.721 32.600 -0.001 0.000 1.353 443 M HN -0.029 nan 8.290 nan 0.000 0.410 444 V N 1.087 120.813 119.914 -0.314 0.000 2.343 444 V HA -0.275 3.853 4.120 0.013 0.000 0.247 444 V C 2.267 178.242 176.094 -0.198 0.000 1.051 444 V CA 1.947 63.942 62.300 -0.509 0.000 1.036 444 V CB -0.926 30.571 31.823 -0.544 0.000 0.654 444 V HN 0.591 nan 8.190 nan 0.000 0.451 445 Q N -0.594 119.126 119.800 -0.134 0.000 2.170 445 Q HA -0.221 4.126 4.340 0.013 0.000 0.203 445 Q C 2.452 178.343 176.000 -0.183 0.000 0.976 445 Q CA 1.539 57.262 55.803 -0.133 0.000 0.858 445 Q CB -0.172 28.515 28.738 -0.084 0.000 0.907 445 Q HN 0.542 nan 8.270 nan 0.000 0.433 446 R N 0.300 120.691 120.500 -0.182 0.000 2.080 446 R HA -0.085 4.263 4.340 0.013 0.000 0.222 446 R C 0.566 176.769 176.300 -0.162 0.000 1.107 446 R CA 1.277 57.242 56.100 -0.225 0.000 0.980 446 R CB 0.418 30.595 30.300 -0.204 0.000 0.879 446 R HN 0.135 nan 8.270 nan 0.000 0.439 447 D N -0.162 120.212 120.400 -0.043 0.000 2.369 447 D HA -0.008 4.639 4.640 0.013 0.000 0.211 447 D C 1.351 177.746 176.300 0.158 0.000 1.077 447 D CA 0.125 54.154 54.000 0.047 0.000 0.842 447 D CB 0.241 41.044 40.800 0.005 0.000 0.947 447 D HN 0.359 nan 8.370 nan 0.000 0.509 448 R N 0.630 121.230 120.500 0.166 0.000 2.249 448 R HA -0.016 4.332 4.340 0.013 0.000 0.230 448 R C 0.715 176.996 176.300 -0.031 0.000 1.121 448 R CA 0.942 57.149 56.100 0.178 0.000 0.997 448 R CB -0.264 30.077 30.300 0.068 0.000 0.867 448 R HN -0.078 nan 8.270 nan 0.000 0.465 449 N N 0.188 118.792 118.700 -0.160 0.000 2.280 449 N HA 0.012 4.760 4.740 0.013 0.000 0.192 449 N C -0.558 174.810 175.510 -0.236 0.000 1.109 449 N CA 0.178 53.111 53.050 -0.195 0.000 0.855 449 N CB 0.124 38.469 38.487 -0.236 0.000 0.974 449 N HN 0.273 nan 8.380 nan 0.000 0.482 450 H N 1.391 120.384 119.070 -0.127 0.000 2.742 450 H HA 0.098 4.661 4.556 0.012 0.000 0.302 450 H C -1.197 173.970 175.328 -0.268 0.000 1.069 450 H CA -1.162 54.797 56.048 -0.149 0.000 1.446 450 H CB 1.479 31.183 29.762 -0.097 0.000 1.462 450 H HN 0.066 nan 8.280 nan 0.000 0.499 451 P HA -0.141 nan 4.420 nan 0.000 0.221 451 P C 1.428 178.234 177.300 -0.824 0.000 1.150 451 P CA 1.035 63.763 63.100 -0.620 0.000 0.800 451 P CB 0.292 31.391 31.700 -1.002 0.000 0.787 452 S N -0.667 114.661 115.700 -0.620 0.000 2.419 452 S HA -0.050 4.428 4.470 0.013 0.000 0.233 452 S C 1.129 175.675 174.600 -0.089 0.000 1.016 452 S CA 0.420 58.412 58.200 -0.347 0.000 0.974 452 S CB -1.545 61.629 63.200 -0.044 0.000 0.786 452 S HN -0.062 nan 8.310 nan 0.000 0.492 453 V N 3.643 123.484 119.914 -0.122 0.000 2.446 453 V HA 0.215 4.342 4.120 0.013 0.000 0.276 453 V C 1.127 177.072 176.094 -0.247 0.000 1.030 453 V CA 0.084 62.282 62.300 -0.169 0.000 1.033 453 V CB 0.374 32.006 31.823 -0.320 0.000 0.993 453 V HN 0.638 nan 8.190 nan 0.000 0.477 454 I N 2.667 123.151 120.570 -0.143 0.000 4.187 454 I HA 0.516 4.693 4.170 0.013 0.000 0.326 454 I C 0.362 176.369 176.117 -0.183 0.000 1.302 454 I CA 0.522 61.749 61.300 -0.122 0.000 1.196 454 I CB 0.495 38.505 38.000 0.017 0.000 1.095 454 I HN 0.329 nan 8.210 nan 0.000 0.411 455 I N 0.166 120.604 120.570 -0.219 0.000 2.692 455 I HA 0.345 4.522 4.170 0.013 0.000 0.293 455 I C -1.604 174.431 176.117 -0.137 0.000 1.200 455 I CA -0.370 60.851 61.300 -0.132 0.000 1.036 455 I CB 2.077 40.092 38.000 0.025 0.000 1.258 455 I HN 0.027 nan 8.210 nan 0.000 0.421 456 W N 4.005 125.357 121.300 0.086 0.000 2.438 456 W HA 0.628 5.295 4.660 0.010 0.000 0.324 456 W C 0.404 176.992 176.519 0.115 0.000 1.119 456 W CA -0.632 56.770 57.345 0.094 0.000 1.221 456 W CB 1.736 31.247 29.460 0.086 0.000 1.253 456 W HN 0.321 nan 8.180 nan 0.000 0.555 457 S N 2.787 118.726 115.700 0.399 0.000 2.500 457 S HA 0.411 4.888 4.470 0.013 0.000 0.301 457 S C 0.160 174.930 174.600 0.284 0.000 1.092 457 S CA -0.715 57.667 58.200 0.304 0.000 1.030 457 S CB 0.850 64.184 63.200 0.224 0.000 1.031 457 S HN 0.578 nan 8.310 nan 0.000 0.483 458 L N 4.082 125.464 121.223 0.265 0.000 2.627 458 L HA 0.361 4.708 4.340 0.013 0.000 0.233 458 L C 1.360 178.290 176.870 0.100 0.000 1.144 458 L CA 0.478 55.390 54.840 0.119 0.000 0.892 458 L CB -1.093 40.931 42.059 -0.059 0.000 1.039 458 L HN 1.003 nan 8.230 nan 0.000 0.442 459 G N 0.020 108.967 108.800 0.245 0.000 2.280 459 G HA2 -0.124 3.843 3.960 0.013 0.000 0.277 459 G HA3 -0.124 3.843 3.960 0.013 0.000 0.277 459 G C -1.664 173.440 174.900 0.340 0.000 1.288 459 G CA -0.558 44.693 45.100 0.251 0.000 1.075 459 G HN 0.183 nan 8.290 nan 0.000 0.480 460 N N -0.100 118.736 118.700 0.226 0.000 2.396 460 N HA 0.481 5.229 4.740 0.013 0.000 0.275 460 N C -0.398 175.069 175.510 -0.073 0.000 1.218 460 N CA 0.106 53.145 53.050 -0.019 0.000 0.812 460 N CB 1.603 39.814 38.487 -0.460 0.000 1.592 460 N HN 0.908 nan 8.380 nan 0.000 0.480 461 E N 0.460 120.512 120.200 -0.247 0.000 2.160 461 E HA -0.179 4.179 4.350 0.013 0.000 0.180 461 E C -0.812 175.677 176.600 -0.184 0.000 1.452 461 E CA 0.810 56.974 56.400 -0.394 0.000 0.683 461 E CB -1.330 27.898 29.700 -0.788 0.000 1.072 461 E HN 0.442 nan 8.360 nan 0.000 0.332 462 S N -0.035 115.707 115.700 0.071 0.000 2.941 462 S HA 0.408 4.886 4.470 0.013 0.000 0.251 462 S C 0.631 175.382 174.600 0.251 0.000 1.029 462 S CA -0.199 58.109 58.200 0.179 0.000 1.062 462 S CB 1.414 64.778 63.200 0.273 0.000 0.977 462 S HN 0.845 nan 8.310 nan 0.000 0.552 463 G N 1.996 110.873 108.800 0.128 0.000 2.641 463 G HA2 -0.261 3.707 3.960 0.013 0.000 0.254 463 G HA3 -0.261 3.707 3.960 0.013 0.000 0.254 463 G C -0.578 174.503 174.900 0.302 0.000 1.315 463 G CA -0.243 44.939 45.100 0.137 0.000 0.907 463 G HN 0.609 nan 8.290 nan 0.000 0.572 464 H N 0.696 119.879 119.070 0.189 0.000 2.646 464 H HA 0.591 5.155 4.556 0.014 0.000 0.328 464 H C 0.333 175.830 175.328 0.282 0.000 0.998 464 H CA 0.136 56.343 56.048 0.266 0.000 1.225 464 H CB 0.738 30.584 29.762 0.141 0.000 1.457 464 H HN 1.065 nan 8.280 nan 0.000 0.505 465 G N 1.612 110.383 108.800 -0.048 0.000 2.537 465 G HA2 0.450 4.417 3.960 0.013 0.000 0.308 465 G HA3 0.450 4.417 3.960 0.013 0.000 0.308 465 G C 0.574 175.280 174.900 -0.324 0.000 1.237 465 G CA -0.146 44.826 45.100 -0.214 0.000 0.968 465 G HN 0.676 nan 8.290 nan 0.000 0.481 466 A N 0.557 123.258 122.820 -0.199 0.000 2.024 466 A HA -0.100 4.228 4.320 0.013 0.000 0.220 466 A C 2.110 179.644 177.584 -0.084 0.000 1.164 466 A CA 1.821 53.794 52.037 -0.106 0.000 0.643 466 A CB -0.388 18.585 19.000 -0.044 0.000 0.806 466 A HN 0.539 nan 8.150 nan 0.000 0.451 467 N N -0.251 118.358 118.700 -0.151 0.000 2.223 467 N HA -0.136 4.611 4.740 0.013 0.000 0.185 467 N C 1.354 176.769 175.510 -0.158 0.000 1.016 467 N CA 1.680 54.633 53.050 -0.163 0.000 0.863 467 N CB -0.643 37.710 38.487 -0.224 0.000 0.983 467 N HN 0.790 nan 8.380 nan 0.000 0.429 468 H N 0.186 119.189 119.070 -0.111 0.000 2.357 468 H HA -0.001 4.563 4.556 0.013 0.000 0.301 468 H C 1.214 176.575 175.328 0.055 0.000 1.082 468 H CA 1.165 57.159 56.048 -0.090 0.000 1.342 468 H CB 0.175 29.861 29.762 -0.125 0.000 1.389 468 H HN 0.157 nan 8.280 nan 0.000 0.511 469 D N 0.389 120.904 120.400 0.193 0.000 2.117 469 D HA -0.113 4.534 4.640 0.013 0.000 0.197 469 D C 2.296 178.739 176.300 0.239 0.000 0.987 469 D CA 1.131 55.268 54.000 0.229 0.000 0.829 469 D CB -0.389 40.519 40.800 0.181 0.000 0.961 469 D HN 0.416 nan 8.370 nan 0.000 0.460 470 A N 0.762 123.668 122.820 0.144 0.000 1.902 470 A HA -0.132 4.195 4.320 0.013 0.000 0.217 470 A C 2.395 180.084 177.584 0.176 0.000 1.181 470 A CA 1.001 53.119 52.037 0.135 0.000 0.623 470 A CB -0.761 18.275 19.000 0.060 0.000 0.818 470 A HN 0.214 nan 8.150 nan 0.000 0.443 471 L N -2.219 119.091 121.223 0.144 0.000 2.109 471 L HA -0.139 4.208 4.340 0.013 0.000 0.207 471 L C 2.551 179.567 176.870 0.243 0.000 1.086 471 L CA 1.462 56.395 54.840 0.154 0.000 0.760 471 L CB -0.714 41.362 42.059 0.028 0.000 0.910 471 L HN 0.582 nan 8.230 nan 0.000 0.437 472 Y N 1.384 121.768 120.300 0.139 0.000 2.081 472 Y HA -0.349 4.207 4.550 0.009 0.000 0.280 472 Y C 2.841 178.823 175.900 0.137 0.000 1.163 472 Y CA 1.900 60.086 58.100 0.144 0.000 1.135 472 Y CB -0.189 38.360 38.460 0.148 0.000 0.970 472 Y HN -0.033 nan 8.280 nan 0.000 0.498 473 R N -0.222 120.399 120.500 0.202 0.000 2.096 473 R HA -0.203 4.145 4.340 0.013 0.000 0.235 473 R C 2.048 178.355 176.300 0.010 0.000 1.127 473 R CA 1.901 58.038 56.100 0.061 0.000 0.968 473 R CB -1.406 29.004 30.300 0.183 0.000 0.861 473 R HN 0.652 nan 8.270 nan 0.000 0.440 474 W N 0.509 121.770 121.300 -0.065 0.000 2.335 474 W HA -0.145 4.523 4.660 0.013 0.000 0.311 474 W C 1.622 178.055 176.519 -0.144 0.000 1.213 474 W CA 1.992 59.285 57.345 -0.087 0.000 1.274 474 W CB -0.290 29.122 29.460 -0.079 0.000 1.148 474 W HN 0.074 nan 8.180 nan 0.000 0.498 475 I N 0.833 121.400 120.570 -0.005 0.000 2.179 475 I HA -0.348 3.830 4.170 0.013 0.000 0.242 475 I C 2.415 178.328 176.117 -0.341 0.000 1.088 475 I CA 1.368 62.511 61.300 -0.262 0.000 1.357 475 I CB -0.749 37.168 38.000 -0.139 0.000 1.051 475 I HN -0.102 nan 8.210 nan 0.000 0.409 476 K N 0.599 120.805 120.400 -0.323 0.000 2.147 476 K HA -0.085 4.243 4.320 0.013 0.000 0.205 476 K C 2.260 178.718 176.600 -0.238 0.000 1.049 476 K CA 1.183 57.303 56.287 -0.279 0.000 0.936 476 K CB -0.397 31.895 32.500 -0.347 0.000 0.722 476 K HN 0.245 nan 8.250 nan 0.000 0.446 477 S N 0.863 116.388 115.700 -0.292 0.000 2.362 477 S HA -0.087 4.391 4.470 0.013 0.000 0.221 477 S C 2.123 176.512 174.600 -0.352 0.000 1.032 477 S CA 1.247 59.283 58.200 -0.274 0.000 0.973 477 S CB -0.173 62.858 63.200 -0.282 0.000 0.849 477 S HN 0.287 nan 8.310 nan 0.000 0.465 478 V N -0.193 119.361 119.914 -0.601 0.000 2.871 478 V HA 0.144 4.271 4.120 0.013 0.000 0.256 478 V C 0.260 176.139 176.094 -0.357 0.000 1.082 478 V CA 1.383 63.336 62.300 -0.578 0.000 1.105 478 V CB -0.277 30.955 31.823 -0.985 0.000 0.713 478 V HN 0.300 nan 8.190 nan 0.000 0.473 479 D N 0.655 120.884 120.400 -0.284 0.000 2.429 479 D HA 0.352 5.000 4.640 0.013 0.000 0.255 479 D C -1.967 174.319 176.300 -0.023 0.000 1.257 479 D CA -1.705 52.236 54.000 -0.099 0.000 0.890 479 D CB 1.634 42.451 40.800 0.029 0.000 1.267 479 D HN 0.193 nan 8.370 nan 0.000 0.521 480 P HA -0.061 nan 4.420 nan 0.000 0.234 480 P C 1.038 178.356 177.300 0.030 0.000 1.167 480 P CA 0.444 63.537 63.100 -0.012 0.000 0.763 480 P CB 0.152 31.839 31.700 -0.022 0.000 0.835 481 S N -1.294 114.433 115.700 0.046 0.000 2.561 481 S HA 0.067 4.544 4.470 0.013 0.000 0.225 481 S C 0.897 175.522 174.600 0.040 0.000 0.977 481 S CA -0.194 58.036 58.200 0.050 0.000 0.926 481 S CB -0.371 62.853 63.200 0.040 0.000 0.769 481 S HN 0.099 nan 8.310 nan 0.000 0.533 482 R N 1.054 121.589 120.500 0.059 0.000 2.628 482 R HA 0.553 4.901 4.340 0.013 0.000 0.288 482 R C -3.215 173.136 176.300 0.086 0.000 0.980 482 R CA -2.217 53.886 56.100 0.007 0.000 0.891 482 R CB 1.461 31.643 30.300 -0.197 0.000 1.188 482 R HN 0.129 nan 8.270 nan 0.000 0.450 483 P HA 0.076 nan 4.420 nan 0.000 0.272 483 P C -0.843 176.568 177.300 0.184 0.000 1.230 483 P CA -0.368 62.799 63.100 0.112 0.000 0.788 483 P CB 0.662 32.414 31.700 0.087 0.000 0.949 484 V N 2.214 122.265 119.914 0.229 0.000 2.495 484 V HA 0.403 4.530 4.120 0.013 0.000 0.298 484 V C 0.210 176.495 176.094 0.319 0.000 1.031 484 V CA -0.294 62.192 62.300 0.311 0.000 0.871 484 V CB 1.191 33.179 31.823 0.275 0.000 0.988 484 V HN 0.608 nan 8.190 nan 0.000 0.432 485 Q N 3.719 123.688 119.800 0.283 0.000 2.458 485 Q HA 0.826 5.174 4.340 0.013 0.000 0.282 485 Q C -1.810 174.362 176.000 0.286 0.000 1.106 485 Q CA -0.932 55.005 55.803 0.223 0.000 0.814 485 Q CB 2.988 31.803 28.738 0.129 0.000 1.425 485 Q HN 0.625 nan 8.270 nan 0.000 0.437 486 Y N -0.186 120.134 120.300 0.033 0.000 2.393 486 Y HA 0.138 4.694 4.550 0.011 0.000 0.320 486 Y C -0.715 175.139 175.900 -0.076 0.000 1.241 486 Y CA -0.768 57.320 58.100 -0.020 0.000 1.122 486 Y CB 1.967 40.406 38.460 -0.035 0.000 1.322 486 Y HN 0.946 nan 8.280 nan 0.000 0.441 487 E N 3.212 122.916 120.200 -0.826 0.000 2.400 487 E HA 0.158 4.516 4.350 0.013 0.000 0.195 487 E C 0.619 176.785 176.600 -0.724 0.000 1.012 487 E CA 0.686 56.723 56.400 -0.605 0.000 0.875 487 E CB 0.297 29.756 29.700 -0.401 0.000 0.859 487 E HN 0.885 nan 8.360 nan 0.000 0.498 488 G N -0.055 107.902 108.800 -1.406 0.000 2.474 488 G HA2 0.232 4.199 3.960 0.013 0.000 0.233 488 G HA3 0.232 4.199 3.960 0.013 0.000 0.233 488 G C 0.827 175.590 174.900 -0.228 0.000 1.278 488 G CA 0.292 44.974 45.100 -0.697 0.000 0.861 488 G HN 0.336 nan 8.290 nan 0.000 0.567 489 G N -0.457 108.305 108.800 -0.065 0.000 2.153 489 G HA2 0.220 4.188 3.960 0.013 0.000 0.252 489 G HA3 0.220 4.188 3.960 0.013 0.000 0.252 489 G C 1.262 176.165 174.900 0.005 0.000 0.994 489 G CA 1.022 46.144 45.100 0.037 0.000 0.698 489 G HN 2.614 nan 8.290 nan 0.000 0.521 490 G N -1.609 107.186 108.800 -0.008 0.000 2.205 490 G HA2 0.443 4.411 3.960 0.013 0.000 0.180 490 G HA3 0.443 4.411 3.960 0.013 0.000 0.180 490 G C 1.025 176.035 174.900 0.185 0.000 1.004 490 G CA 1.298 46.456 45.100 0.097 0.000 0.670 490 G HN 2.330 nan 8.290 nan 0.000 0.496 491 A N -0.229 122.587 122.820 -0.006 0.000 3.396 491 A HA -0.121 4.207 4.320 0.013 0.000 0.267 491 A C 1.048 178.570 177.584 -0.103 0.000 1.139 491 A CA 2.634 54.611 52.037 -0.100 0.000 1.115 491 A CB -1.779 17.132 19.000 -0.148 0.000 1.133 491 A HN 2.094 nan 8.150 nan 0.000 0.920 492 D N -0.914 119.505 120.400 0.031 0.000 2.760 492 D HA 0.332 4.980 4.640 0.013 0.000 0.314 492 D C 0.382 176.677 176.300 -0.009 0.000 1.464 492 D CA 0.786 54.807 54.000 0.035 0.000 0.797 492 D CB -1.125 39.834 40.800 0.266 0.000 1.149 492 D HN 0.822 nan 8.370 nan 0.000 0.455 493 T N -2.479 112.006 114.554 -0.116 0.000 2.698 493 T HA 0.213 4.571 4.350 0.013 0.000 0.295 493 T C 1.583 176.142 174.700 -0.235 0.000 1.007 493 T CA 0.390 62.337 62.100 -0.255 0.000 0.980 493 T CB 0.814 69.308 68.868 -0.625 0.000 1.036 493 T HN 0.083 nan 8.240 nan 0.000 0.526 494 T N -2.415 111.980 114.554 -0.265 0.000 3.163 494 T HA 0.222 4.579 4.350 0.013 0.000 0.260 494 T C 1.504 175.962 174.700 -0.404 0.000 1.156 494 T CA 0.262 62.230 62.100 -0.220 0.000 1.072 494 T CB -0.496 68.316 68.868 -0.094 0.000 0.937 494 T HN 0.827 nan 8.240 nan 0.000 0.528 495 A N 0.459 123.090 122.820 -0.316 0.000 2.460 495 A HA 0.505 4.833 4.320 0.013 0.000 0.258 495 A C 0.833 178.294 177.584 -0.204 0.000 1.300 495 A CA -0.296 51.547 52.037 -0.323 0.000 0.913 495 A CB 0.095 19.191 19.000 0.159 0.000 1.031 495 A HN 0.420 nan 8.150 nan 0.000 0.512 496 T N -1.355 113.067 114.554 -0.219 0.000 2.952 496 T HA 0.364 4.722 4.350 0.013 0.000 0.305 496 T C -0.654 174.077 174.700 0.052 0.000 1.064 496 T CA -0.439 61.676 62.100 0.026 0.000 1.008 496 T CB 1.225 70.103 68.868 0.017 0.000 1.078 496 T HN 0.075 nan 8.240 nan 0.000 0.459 497 D N 2.975 123.491 120.400 0.193 0.000 2.355 497 D HA 0.266 4.913 4.640 0.013 0.000 0.218 497 D C 0.323 176.662 176.300 0.065 0.000 1.004 497 D CA 0.701 54.793 54.000 0.154 0.000 0.880 497 D CB 0.351 41.270 40.800 0.198 0.000 0.911 497 D HN 0.541 nan 8.370 nan 0.000 0.528 498 I N 0.890 121.480 120.570 0.033 0.000 2.545 498 I HA 0.251 4.429 4.170 0.013 0.000 0.292 498 I C -0.212 175.846 176.117 -0.098 0.000 1.040 498 I CA -0.904 60.380 61.300 -0.026 0.000 1.068 498 I CB 2.797 40.795 38.000 -0.002 0.000 1.251 498 I HN -0.353 nan 8.210 nan 0.000 0.424 499 I N 5.738 126.202 120.570 -0.177 0.000 2.505 499 I HA 0.049 4.226 4.170 0.013 0.000 0.287 499 I C 0.217 176.128 176.117 -0.343 0.000 1.104 499 I CA 0.037 61.134 61.300 -0.340 0.000 1.387 499 I CB 0.189 37.873 38.000 -0.527 0.000 1.404 499 I HN 0.679 nan 8.210 nan 0.000 0.528 500 C N 5.571 124.682 119.300 -0.315 0.000 3.401 500 C HA 0.467 4.934 4.460 0.013 0.000 0.204 500 C C -2.169 172.689 174.990 -0.220 0.000 1.522 500 C CA -2.218 56.669 59.018 -0.218 0.000 1.409 500 C CB -0.899 26.774 27.740 -0.112 0.000 1.967 500 C HN 0.418 nan 8.230 nan 0.000 0.496 501 P HA 0.306 nan 4.420 nan 0.000 0.273 501 P C -0.424 176.820 177.300 -0.093 0.000 1.250 501 P CA 0.302 63.293 63.100 -0.181 0.000 0.793 501 P CB 0.759 32.365 31.700 -0.157 0.000 1.011 502 M N 0.012 119.577 119.600 -0.059 0.000 2.167 502 M HA 0.443 4.931 4.480 0.013 0.000 0.333 502 M C -0.795 175.494 176.300 -0.020 0.000 1.030 502 M CA -0.637 54.523 55.300 -0.233 0.000 0.963 502 M CB 1.082 33.465 32.600 -0.361 0.000 1.589 502 M HN 0.344 nan 8.290 nan 0.000 0.431 503 Y N -0.155 120.304 120.300 0.265 0.000 4.490 503 Y HA -0.220 4.338 4.550 0.014 0.000 0.233 503 Y C 0.509 176.580 175.900 0.285 0.000 1.101 503 Y CA 0.355 58.619 58.100 0.272 0.000 2.010 503 Y CB -2.178 36.418 38.460 0.227 0.000 1.622 503 Y HN 0.980 nan 8.280 nan 0.000 0.675 504 A N 1.148 124.190 122.820 0.371 0.000 2.425 504 A HA 0.597 4.925 4.320 0.013 0.000 0.249 504 A C 0.691 178.497 177.584 0.370 0.000 1.084 504 A CA -0.441 51.815 52.037 0.365 0.000 0.781 504 A CB 0.425 19.682 19.000 0.429 0.000 1.019 504 A HN 0.420 nan 8.150 nan 0.000 0.490 505 R N 1.344 121.988 120.500 0.239 0.000 2.546 505 R HA 0.359 4.706 4.340 0.013 0.000 0.266 505 R C 0.953 177.214 176.300 -0.064 0.000 1.086 505 R CA -0.771 55.394 56.100 0.108 0.000 1.160 505 R CB 0.605 30.939 30.300 0.056 0.000 1.138 505 R HN 0.468 nan 8.270 nan 0.000 0.567 506 V N 0.593 120.310 119.914 -0.329 0.000 2.283 506 V HA -0.193 3.935 4.120 0.013 0.000 0.243 506 V C 0.998 176.970 176.094 -0.203 0.000 1.039 506 V CA 1.845 63.914 62.300 -0.383 0.000 1.016 506 V CB -0.251 31.215 31.823 -0.595 0.000 0.650 506 V HN 0.739 nan 8.190 nan 0.000 0.449 507 D N -1.292 119.021 120.400 -0.146 0.000 2.454 507 D HA 0.095 4.743 4.640 0.013 0.000 0.214 507 D C 0.903 177.183 176.300 -0.033 0.000 1.088 507 D CA 0.091 54.042 54.000 -0.081 0.000 0.855 507 D CB 0.679 41.437 40.800 -0.071 0.000 1.025 507 D HN 0.487 nan 8.370 nan 0.000 0.502 508 E N 1.871 122.056 120.200 -0.025 0.000 2.146 508 E HA 0.107 4.465 4.350 0.013 0.000 0.282 508 E C -0.834 175.764 176.600 -0.002 0.000 0.989 508 E CA -0.614 55.781 56.400 -0.009 0.000 0.799 508 E CB 0.926 30.622 29.700 -0.007 0.000 1.088 508 E HN -0.187 nan 8.360 nan 0.000 0.397 509 D N 3.660 124.063 120.400 0.005 0.000 2.341 509 D HA 0.120 4.768 4.640 0.013 0.000 0.245 509 D C -0.548 175.646 176.300 -0.176 0.000 1.106 509 D CA 0.252 54.251 54.000 -0.003 0.000 0.905 509 D CB 1.130 42.011 40.800 0.136 0.000 1.202 509 D HN 0.421 nan 8.370 nan 0.000 0.426 510 Q N 1.583 121.145 119.800 -0.397 0.000 2.771 510 Q HA 0.240 4.587 4.340 0.013 0.000 0.247 510 Q C -2.270 173.064 176.000 -1.110 0.000 0.986 510 Q CA -1.505 53.850 55.803 -0.747 0.000 0.713 510 Q CB 2.464 30.726 28.738 -0.794 0.000 1.241 510 Q HN 0.184 nan 8.270 nan 0.000 0.488 511 P HA 0.032 nan 4.420 nan 0.000 0.220 511 P C -0.629 176.355 177.300 -0.527 0.000 1.806 511 P CA -0.126 62.531 63.100 -0.739 0.000 0.976 511 P CB -0.584 30.918 31.700 -0.330 0.000 1.952 512 F N 2.210 121.982 119.950 -0.297 0.000 2.602 512 F HA 0.113 4.647 4.527 0.012 0.000 0.367 512 F C -1.149 174.544 175.800 -0.179 0.000 1.126 512 F CA -2.150 55.738 58.000 -0.187 0.000 1.321 512 F CB -0.575 38.331 39.000 -0.158 0.000 1.094 512 F HN 0.084 nan 8.300 nan 0.000 0.594 513 P HA 0.105 nan 4.420 nan 0.000 0.268 513 P C 0.308 177.624 177.300 0.027 0.000 1.204 513 P CA 1.020 64.138 63.100 0.030 0.000 0.768 513 P CB 1.161 32.879 31.700 0.030 0.000 0.842 514 A N 2.846 125.673 122.820 0.012 0.000 2.624 514 A HA -0.241 4.087 4.320 0.013 0.000 0.235 514 A C 0.709 178.299 177.584 0.010 0.000 0.588 514 A CA 1.858 53.905 52.037 0.017 0.000 1.172 514 A CB -2.666 16.345 19.000 0.018 0.000 1.370 514 A HN 0.718 nan 8.150 nan 0.000 0.695 515 V N -2.845 117.071 119.914 0.004 0.000 2.468 515 V HA 0.572 4.700 4.120 0.013 0.000 0.256 515 V C -2.438 173.643 176.094 -0.021 0.000 0.998 515 V CA -1.274 61.028 62.300 0.004 0.000 1.114 515 V CB 0.617 32.448 31.823 0.014 0.000 1.378 515 V HN 0.506 nan 8.190 nan 0.000 0.573 516 P HA 0.246 nan 4.420 nan 0.000 0.269 516 P C -0.573 176.289 177.300 -0.729 0.000 1.215 516 P CA 0.175 62.871 63.100 -0.673 0.000 0.780 516 P CB 0.978 31.785 31.700 -1.488 0.000 0.898 517 K N 2.507 122.542 120.400 -0.608 0.000 2.423 517 K HA 0.195 4.523 4.320 0.013 0.000 0.234 517 K C -0.393 175.924 176.600 -0.471 0.000 1.051 517 K CA -0.279 55.862 56.287 -0.244 0.000 1.021 517 K CB 0.295 32.895 32.500 0.165 0.000 1.474 517 K HN 0.471 nan 8.250 nan 0.000 0.474 518 W N 1.342 122.337 121.300 -0.508 0.000 2.126 518 W HA 0.029 4.698 4.660 0.015 0.000 0.346 518 W C 1.338 177.855 176.519 -0.003 0.000 1.279 518 W CA -0.421 56.706 57.345 -0.364 0.000 1.259 518 W CB 0.471 29.534 29.460 -0.663 0.000 1.133 518 W HN 0.363 nan 8.180 nan 0.000 0.592 519 S N 3.304 119.153 115.700 0.250 0.000 2.558 519 S HA -0.086 4.392 4.470 0.013 0.000 0.293 519 S C 1.178 175.921 174.600 0.238 0.000 1.292 519 S CA -0.130 58.163 58.200 0.155 0.000 1.063 519 S CB 0.159 63.399 63.200 0.067 0.000 0.831 519 S HN 0.511 nan 8.310 nan 0.000 0.499 520 I N 2.096 122.770 120.570 0.173 0.000 2.361 520 I HA -0.124 4.053 4.170 0.013 0.000 0.251 520 I C 2.015 178.152 176.117 0.034 0.000 1.133 520 I CA 1.213 62.620 61.300 0.179 0.000 1.413 520 I CB -0.396 37.654 38.000 0.082 0.000 1.073 520 I HN 0.591 nan 8.210 nan 0.000 0.424 521 K N 1.534 121.848 120.400 -0.144 0.000 2.097 521 K HA -0.147 4.181 4.320 0.013 0.000 0.205 521 K C 2.297 178.869 176.600 -0.048 0.000 1.050 521 K CA 1.553 57.653 56.287 -0.311 0.000 0.938 521 K CB -0.182 32.042 32.500 -0.460 0.000 0.718 521 K HN 0.355 nan 8.250 nan 0.000 0.442 522 K N 0.063 120.470 120.400 0.011 0.000 2.103 522 K HA -0.164 4.163 4.320 0.013 0.000 0.204 522 K C 1.862 178.483 176.600 0.034 0.000 1.052 522 K CA 0.826 57.110 56.287 -0.004 0.000 0.945 522 K CB -0.050 32.417 32.500 -0.055 0.000 0.722 522 K HN 0.227 nan 8.250 nan 0.000 0.443 523 W N 2.123 123.409 121.300 -0.024 0.000 2.335 523 W HA -0.189 4.476 4.660 0.008 0.000 0.311 523 W C 1.615 178.120 176.519 -0.023 0.000 1.213 523 W CA 1.102 58.453 57.345 0.009 0.000 1.274 523 W CB -0.684 28.854 29.460 0.130 0.000 1.148 523 W HN 0.071 nan 8.180 nan 0.000 0.498 524 L N 0.906 122.294 121.223 0.275 0.000 2.081 524 L HA -0.264 4.083 4.340 0.013 0.000 0.212 524 L C 2.277 179.218 176.870 0.119 0.000 1.080 524 L CA 2.077 57.011 54.840 0.157 0.000 0.754 524 L CB -0.995 41.142 42.059 0.128 0.000 0.893 524 L HN 0.008 nan 8.230 nan 0.000 0.433 525 S N -1.466 114.287 115.700 0.088 0.000 2.572 525 S HA 0.242 4.719 4.470 0.013 0.000 0.228 525 S C 0.595 175.185 174.600 -0.016 0.000 0.963 525 S CA -0.534 57.688 58.200 0.038 0.000 0.939 525 S CB -0.419 62.802 63.200 0.036 0.000 0.804 525 S HN 0.157 nan 8.310 nan 0.000 0.480 526 L N 1.980 123.185 121.223 -0.031 0.000 2.506 526 L HA 0.196 4.544 4.340 0.013 0.000 0.281 526 L C -2.192 174.648 176.870 -0.050 0.000 1.228 526 L CA -1.605 53.170 54.840 -0.109 0.000 0.850 526 L CB -0.318 41.654 42.059 -0.145 0.000 1.110 526 L HN 0.032 nan 8.230 nan 0.000 0.496 527 P HA -0.038 nan 4.420 nan 0.000 0.260 527 P C 0.730 178.022 177.300 -0.013 0.000 1.172 527 P CA 1.122 64.198 63.100 -0.040 0.000 0.760 527 P CB 0.486 32.156 31.700 -0.050 0.000 0.773 528 G N 1.896 110.696 108.800 -0.001 0.000 2.212 528 G HA2 -0.290 3.677 3.960 0.013 0.000 0.266 528 G HA3 -0.290 3.677 3.960 0.013 0.000 0.266 528 G C 0.282 175.198 174.900 0.026 0.000 0.978 528 G CA 0.253 45.360 45.100 0.012 0.000 0.632 528 G HN 0.619 nan 8.290 nan 0.000 0.537 529 E N 0.892 121.114 120.200 0.036 0.000 2.338 529 E HA 0.603 4.961 4.350 0.013 0.000 0.272 529 E C 1.354 177.981 176.600 0.045 0.000 1.029 529 E CA 0.668 57.103 56.400 0.058 0.000 0.872 529 E CB 0.774 30.537 29.700 0.104 0.000 1.015 529 E HN 0.521 nan 8.360 nan 0.000 0.417 530 T N 0.518 115.096 114.554 0.039 0.000 3.080 530 T HA 0.323 4.681 4.350 0.013 0.000 0.280 530 T C 0.552 175.265 174.700 0.021 0.000 0.926 530 T CA -0.479 61.639 62.100 0.029 0.000 0.883 530 T CB 0.065 68.949 68.868 0.026 0.000 1.194 530 T HN 0.260 nan 8.240 nan 0.000 0.541 531 R N 2.365 122.874 120.500 0.015 0.000 2.707 531 R HA 0.446 4.794 4.340 0.013 0.000 0.270 531 R C -2.503 173.783 176.300 -0.024 0.000 1.083 531 R CA -1.762 54.336 56.100 -0.003 0.000 1.182 531 R CB 0.032 30.324 30.300 -0.014 0.000 1.084 531 R HN 0.230 nan 8.270 nan 0.000 0.528 532 P HA 0.089 nan 4.420 nan 0.000 0.274 532 P C -1.062 176.177 177.300 -0.102 0.000 1.237 532 P CA -0.120 62.947 63.100 -0.057 0.000 0.793 532 P CB 0.693 32.361 31.700 -0.054 0.000 0.977 533 L N 2.371 123.515 121.223 -0.131 0.000 2.376 533 L HA 0.579 4.927 4.340 0.013 0.000 0.275 533 L C -1.036 175.706 176.870 -0.213 0.000 0.987 533 L CA -0.665 54.059 54.840 -0.194 0.000 0.828 533 L CB 0.677 42.617 42.059 -0.198 0.000 1.249 533 L HN 0.235 nan 8.230 nan 0.000 0.409 534 I N 5.602 126.053 120.570 -0.198 0.000 2.500 534 I HA 0.258 4.436 4.170 0.013 0.000 0.286 534 I C -0.776 175.267 176.117 -0.124 0.000 1.063 534 I CA -0.547 60.624 61.300 -0.216 0.000 1.062 534 I CB 2.016 39.944 38.000 -0.120 0.000 1.223 534 I HN 0.472 nan 8.210 nan 0.000 0.435 535 L N 5.615 126.744 121.223 -0.158 0.000 2.455 535 L HA 0.027 4.374 4.340 0.013 0.000 0.272 535 L C 1.486 178.456 176.870 0.167 0.000 1.174 535 L CA -0.083 54.736 54.840 -0.034 0.000 0.869 535 L CB 0.610 42.645 42.059 -0.041 0.000 1.130 535 L HN 0.861 nan 8.230 nan 0.000 0.474 536 C N 0.809 120.179 119.300 0.117 0.000 2.468 536 C HA 0.105 4.572 4.460 0.013 0.000 0.277 536 C C 0.722 175.866 174.990 0.256 0.000 1.400 536 C CA -0.139 58.991 59.018 0.187 0.000 1.770 536 C CB -0.942 26.810 27.740 0.020 0.000 1.905 536 C HN 0.815 nan 8.230 nan 0.000 0.519 537 Q N -0.467 119.411 119.800 0.130 0.000 2.284 537 Q HA 0.627 4.975 4.340 0.013 0.000 0.269 537 Q C -1.410 174.593 176.000 0.006 0.000 1.026 537 Q CA -0.341 55.539 55.803 0.127 0.000 0.831 537 Q CB 2.262 30.871 28.738 -0.215 0.000 1.322 537 Q HN 0.760 nan 8.270 nan 0.000 0.419 538 Y N -0.315 120.025 120.300 0.067 0.000 2.638 538 Y HA 0.830 5.388 4.550 0.015 0.000 0.335 538 Y C -0.635 175.428 175.900 0.273 0.000 1.155 538 Y CA -0.828 57.296 58.100 0.040 0.000 1.046 538 Y CB 0.994 39.300 38.460 -0.256 0.000 1.303 538 Y HN 0.929 nan 8.280 nan 0.000 0.460 539 A N 1.527 124.438 122.820 0.151 0.000 2.490 539 A HA -0.016 4.311 4.320 0.013 0.000 0.684 539 A C -1.279 176.552 177.584 0.412 0.000 0.174 539 A CA 0.691 52.831 52.037 0.172 0.000 0.057 539 A CB -1.370 17.670 19.000 0.067 0.000 3.963 539 A HN 1.653 nan 8.150 nan 0.000 0.547 540 H N 0.786 119.981 119.070 0.209 0.000 3.162 540 H HA 0.510 5.073 4.556 0.012 0.000 0.309 540 H C 0.132 175.518 175.328 0.097 0.000 1.156 540 H CA 0.315 56.529 56.048 0.277 0.000 1.586 540 H CB 0.743 30.549 29.762 0.073 0.000 1.740 540 H HN 1.570 nan 8.280 nan 0.000 0.525 541 A N 6.093 128.830 122.820 -0.139 0.000 2.728 541 A HA 0.120 4.448 4.320 0.013 0.000 0.258 541 A C 0.760 178.144 177.584 -0.334 0.000 1.454 541 A CA -0.353 51.549 52.037 -0.224 0.000 1.146 541 A CB -0.741 18.123 19.000 -0.226 0.000 0.985 541 A HN 0.698 nan 8.150 nan 0.000 0.603 542 M N 1.415 120.843 119.600 -0.287 0.000 2.108 542 M HA 0.463 4.950 4.480 0.013 0.000 0.347 542 M C 0.943 177.014 176.300 -0.383 0.000 1.326 542 M CA 1.150 56.266 55.300 -0.307 0.000 1.126 542 M CB -0.096 32.430 32.600 -0.122 0.000 1.606 542 M HN 0.824 nan 8.290 nan 0.000 0.462 543 G N 4.312 112.810 108.800 -0.504 0.000 2.566 543 G HA2 -0.344 3.624 3.960 0.013 0.000 0.280 543 G HA3 -0.344 3.624 3.960 0.013 0.000 0.280 543 G C -0.257 174.034 174.900 -1.014 0.000 1.225 543 G CA 0.082 44.743 45.100 -0.733 0.000 0.966 543 G HN 0.851 nan 8.290 nan 0.000 0.560 544 N N 1.182 119.161 118.700 -1.202 0.000 2.448 544 N HA 0.510 5.258 4.740 0.013 0.000 0.250 544 N C 0.025 175.242 175.510 -0.488 0.000 1.136 544 N CA 1.056 53.578 53.050 -0.880 0.000 0.953 544 N CB 0.554 38.552 38.487 -0.816 0.000 1.251 544 N HN 0.836 nan 8.380 nan 0.000 0.502 545 S N 2.196 117.688 115.700 -0.347 0.000 2.998 545 S HA 0.607 5.085 4.470 0.013 0.000 0.321 545 S C -0.045 174.467 174.600 -0.148 0.000 1.171 545 S CA -0.343 57.722 58.200 -0.225 0.000 0.882 545 S CB 0.103 63.179 63.200 -0.207 0.000 1.301 545 S HN 0.379 nan 8.310 nan 0.000 0.629 546 L N 0.040 121.217 121.223 -0.077 0.000 4.793 546 L HA -0.065 4.283 4.340 0.013 0.000 0.404 546 L C 0.599 177.507 176.870 0.063 0.000 1.022 546 L CA 0.879 55.708 54.840 -0.019 0.000 1.242 546 L CB -1.789 40.170 42.059 -0.167 0.000 2.049 546 L HN 0.744 nan 8.230 nan 0.000 0.637 547 G N -0.818 107.982 108.800 0.001 0.000 2.380 547 G HA2 0.453 4.421 3.960 0.013 0.000 0.242 547 G HA3 0.453 4.421 3.960 0.013 0.000 0.242 547 G C 1.246 176.186 174.900 0.067 0.000 1.298 547 G CA 0.170 45.253 45.100 -0.028 0.000 0.878 547 G HN 1.377 nan 8.290 nan 0.000 0.542 548 G N 1.464 110.290 108.800 0.044 0.000 2.176 548 G HA2 -0.323 3.644 3.960 0.013 0.000 0.253 548 G HA3 -0.323 3.644 3.960 0.013 0.000 0.253 548 G C 1.007 176.090 174.900 0.306 0.000 0.979 548 G CA 0.800 45.986 45.100 0.144 0.000 0.641 548 G HN 0.770 nan 8.290 nan 0.000 0.530 549 F N 1.812 121.881 119.950 0.198 0.000 2.134 549 F HA 0.152 4.687 4.527 0.014 0.000 0.299 549 F C 2.703 178.715 175.800 0.354 0.000 1.097 549 F CA 2.486 60.680 58.000 0.323 0.000 1.264 549 F CB -0.431 38.703 39.000 0.222 0.000 1.001 549 F HN 0.335 nan 8.300 nan 0.000 0.479 550 A N -0.354 122.642 122.820 0.293 0.000 2.024 550 A HA -0.250 4.078 4.320 0.013 0.000 0.220 550 A C 2.275 179.882 177.584 0.039 0.000 1.164 550 A CA 1.779 53.917 52.037 0.170 0.000 0.643 550 A CB -0.824 18.277 19.000 0.169 0.000 0.806 550 A HN 0.462 nan 8.150 nan 0.000 0.451 551 K N -1.604 118.796 120.400 0.001 0.000 2.097 551 K HA -0.171 4.157 4.320 0.013 0.000 0.206 551 K C 1.686 178.044 176.600 -0.404 0.000 1.049 551 K CA 1.569 57.766 56.287 -0.150 0.000 0.933 551 K CB -0.306 32.111 32.500 -0.138 0.000 0.717 551 K HN 0.576 nan 8.250 nan 0.000 0.442 552 Y N -0.756 119.254 120.300 -0.484 0.000 2.145 552 Y HA -0.248 4.309 4.550 0.012 0.000 0.286 552 Y C 2.016 176.949 175.900 -1.611 0.000 1.145 552 Y CA 1.622 59.067 58.100 -1.092 0.000 1.148 552 Y CB -0.355 37.434 38.460 -1.118 0.000 0.981 552 Y HN 0.172 nan 8.280 nan 0.000 0.507 553 W N 0.064 120.939 121.300 -0.707 0.000 2.358 553 W HA -0.223 4.445 4.660 0.015 0.000 0.303 553 W C 2.641 178.999 176.519 -0.269 0.000 1.208 553 W CA 1.623 58.702 57.345 -0.443 0.000 1.274 553 W CB -0.721 28.570 29.460 -0.282 0.000 1.138 553 W HN 0.058 nan 8.180 nan 0.000 0.515 554 Q N 0.776 120.495 119.800 -0.135 0.000 2.096 554 Q HA -0.193 4.155 4.340 0.013 0.000 0.204 554 Q C 2.184 178.123 176.000 -0.101 0.000 0.982 554 Q CA 2.154 57.913 55.803 -0.073 0.000 0.850 554 Q CB -0.619 28.089 28.738 -0.051 0.000 0.901 554 Q HN 0.281 nan 8.270 nan 0.000 0.422 555 A N -0.040 122.625 122.820 -0.258 0.000 1.898 555 A HA -0.107 4.221 4.320 0.013 0.000 0.216 555 A C 2.049 179.610 177.584 -0.037 0.000 1.181 555 A CA 1.108 53.028 52.037 -0.196 0.000 0.620 555 A CB -1.062 17.695 19.000 -0.404 0.000 0.819 555 A HN 0.475 nan 8.150 nan 0.000 0.442 556 F N -0.385 119.386 119.950 -0.299 0.000 2.171 556 F HA -0.200 4.335 4.527 0.012 0.000 0.300 556 F C 2.752 178.452 175.800 -0.166 0.000 1.090 556 F CA 1.059 58.858 58.000 -0.335 0.000 1.293 556 F CB -0.172 38.405 39.000 -0.704 0.000 1.013 556 F HN 0.155 nan 8.300 nan 0.000 0.486 557 R N 0.073 120.625 120.500 0.086 0.000 2.115 557 R HA -0.162 4.186 4.340 0.013 0.000 0.226 557 R C 2.118 178.450 176.300 0.053 0.000 1.100 557 R CA 1.121 57.257 56.100 0.061 0.000 0.980 557 R CB -0.387 29.945 30.300 0.054 0.000 0.875 557 R HN 0.375 nan 8.270 nan 0.000 0.445 558 Q N -0.315 119.543 119.800 0.096 0.000 2.187 558 Q HA -0.064 4.284 4.340 0.013 0.000 0.199 558 Q C -0.443 175.569 176.000 0.020 0.000 0.957 558 Q CA 0.966 56.812 55.803 0.072 0.000 0.857 558 Q CB 0.359 29.179 28.738 0.135 0.000 0.929 558 Q HN 0.187 nan 8.270 nan 0.000 0.453 559 Y N 0.114 120.395 120.300 -0.031 0.000 2.353 559 Y HA 0.258 4.815 4.550 0.011 0.000 0.340 559 Y C -1.774 174.102 175.900 -0.041 0.000 0.972 559 Y CA -2.813 55.269 58.100 -0.030 0.000 1.157 559 Y CB 1.412 39.858 38.460 -0.022 0.000 1.157 559 Y HN 0.122 nan 8.280 nan 0.000 0.495 560 P HA -0.198 nan 4.420 nan 0.000 0.214 560 P C 1.169 178.472 177.300 0.005 0.000 1.163 560 P CA 1.954 65.054 63.100 0.000 0.000 0.889 560 P CB 0.303 31.988 31.700 -0.026 0.000 0.790 561 R N -1.153 119.370 120.500 0.038 0.000 2.280 561 R HA 0.052 4.400 4.340 0.013 0.000 0.207 561 R C 0.529 176.818 176.300 -0.018 0.000 1.043 561 R CA 0.217 56.325 56.100 0.013 0.000 1.006 561 R CB -0.589 29.729 30.300 0.029 0.000 0.885 561 R HN 0.246 nan 8.270 nan 0.000 0.467 562 L N 2.026 123.260 121.223 0.018 0.000 2.312 562 L HA 0.101 4.449 4.340 0.013 0.000 0.287 562 L C 0.529 177.266 176.870 -0.222 0.000 1.091 562 L CA 0.213 55.014 54.840 -0.065 0.000 0.846 562 L CB 0.952 43.044 42.059 0.055 0.000 1.219 562 L HN 0.088 nan 8.230 nan 0.000 0.439 563 Q N 2.924 122.521 119.800 -0.338 0.000 2.211 563 Q HA 0.309 4.656 4.340 0.013 0.000 0.231 563 Q C 0.840 176.438 176.000 -0.669 0.000 0.865 563 Q CA 0.091 55.657 55.803 -0.394 0.000 0.997 563 Q CB 1.011 29.607 28.738 -0.237 0.000 1.101 563 Q HN 0.962 nan 8.270 nan 0.000 0.468 564 G N -0.293 107.716 108.800 -1.319 0.000 2.445 564 G HA2 0.069 4.037 3.960 0.013 0.000 0.212 564 G HA3 0.069 4.037 3.960 0.013 0.000 0.212 564 G C -0.222 173.843 174.900 -1.392 0.000 1.217 564 G CA -0.721 43.208 45.100 -1.951 0.000 1.002 564 G HN 0.616 nan 8.290 nan 0.000 0.574 565 G N -2.261 106.031 108.800 -0.848 0.000 2.342 565 G HA2 0.633 4.600 3.960 0.013 0.000 0.297 565 G HA3 0.633 4.600 3.960 0.013 0.000 0.297 565 G C -1.831 173.014 174.900 -0.091 0.000 1.313 565 G CA -0.233 44.608 45.100 -0.432 0.000 0.830 565 G HN 1.159 nan 8.290 nan 0.000 0.506 566 F N 0.610 120.826 119.950 0.444 0.000 2.427 566 F HA 0.537 5.071 4.527 0.011 0.000 0.348 566 F C 0.787 176.886 175.800 0.498 0.000 1.125 566 F CA -0.748 57.530 58.000 0.464 0.000 0.989 566 F CB 2.085 41.255 39.000 0.283 0.000 1.165 566 F HN 0.258 nan 8.300 nan 0.000 0.442 567 V N 3.263 123.481 119.914 0.506 0.000 2.872 567 V HA -0.128 4.000 4.120 0.013 0.000 0.307 567 V C -0.252 175.991 176.094 0.249 0.000 1.072 567 V CA -0.283 62.099 62.300 0.136 0.000 1.148 567 V CB 0.854 32.791 31.823 0.190 0.000 0.954 567 V HN 0.767 nan 8.190 nan 0.000 0.490 568 W N 6.249 127.605 121.300 0.094 0.000 2.278 568 W HA 0.439 5.106 4.660 0.012 0.000 0.317 568 W C -0.854 175.677 176.519 0.021 0.000 1.030 568 W CA -0.651 56.789 57.345 0.159 0.000 1.334 568 W CB 1.286 30.983 29.460 0.396 0.000 1.215 568 W HN 0.918 nan 8.180 nan 0.000 0.405 569 D N 2.816 122.873 120.400 -0.572 0.000 2.812 569 D HA 0.103 4.751 4.640 0.013 0.000 0.318 569 D C 0.610 176.719 176.300 -0.319 0.000 1.234 569 D CA -0.550 53.038 54.000 -0.688 0.000 0.989 569 D CB 0.197 40.068 40.800 -1.549 0.000 1.442 569 D HN 0.420 nan 8.370 nan 0.000 0.537 570 W N 0.446 121.484 121.300 -0.437 0.000 2.413 570 W HA 0.170 4.837 4.660 0.013 0.000 0.315 570 W C -0.188 176.185 176.519 -0.243 0.000 1.186 570 W CA 0.981 58.132 57.345 -0.324 0.000 1.326 570 W CB 0.380 29.661 29.460 -0.300 0.000 1.153 570 W HN 0.151 nan 8.180 nan 0.000 0.489 571 V N 2.670 122.401 119.914 -0.306 0.000 2.709 571 V HA 0.247 4.375 4.120 0.013 0.000 0.308 571 V C -0.994 174.956 176.094 -0.239 0.000 1.062 571 V CA -0.751 61.326 62.300 -0.371 0.000 0.901 571 V CB 1.563 33.267 31.823 -0.198 0.000 1.003 571 V HN -0.119 nan 8.190 nan 0.000 0.425 572 D N 3.972 124.243 120.400 -0.214 0.000 2.493 572 D HA 0.130 4.778 4.640 0.013 0.000 0.240 572 D C 0.301 176.459 176.300 -0.237 0.000 1.142 572 D CA 0.656 54.553 54.000 -0.172 0.000 0.872 572 D CB 0.884 41.650 40.800 -0.056 0.000 1.173 572 D HN 0.605 nan 8.370 nan 0.000 0.467 573 Q N 1.271 120.849 119.800 -0.371 0.000 3.207 573 Q HA 0.146 4.494 4.340 0.013 0.000 0.335 573 Q C -0.104 175.817 176.000 -0.131 0.000 1.374 573 Q CA -0.342 54.995 55.803 -0.777 0.000 1.023 573 Q CB 0.051 28.444 28.738 -0.575 0.000 1.576 573 Q HN 0.373 nan 8.270 nan 0.000 0.515 574 S N -0.153 115.582 115.700 0.059 0.000 2.654 574 S HA 0.669 5.147 4.470 0.013 0.000 0.283 574 S C -0.153 174.615 174.600 0.281 0.000 1.180 574 S CA -0.792 57.574 58.200 0.276 0.000 1.021 574 S CB 1.484 64.831 63.200 0.245 0.000 1.018 574 S HN 0.341 nan 8.310 nan 0.000 0.532 575 L N 1.429 122.748 121.223 0.160 0.000 2.341 575 L HA 0.531 4.879 4.340 0.013 0.000 0.267 575 L C -0.590 176.195 176.870 -0.141 0.000 1.009 575 L CA -1.230 53.584 54.840 -0.043 0.000 0.819 575 L CB 1.561 43.474 42.059 -0.244 0.000 1.323 575 L HN 0.557 nan 8.230 nan 0.000 0.425 576 I N 2.265 122.689 120.570 -0.243 0.000 2.441 576 I HA 0.271 4.448 4.170 0.013 0.000 0.287 576 I C 0.176 175.875 176.117 -0.697 0.000 1.049 576 I CA -0.033 60.984 61.300 -0.472 0.000 1.381 576 I CB 1.026 38.752 38.000 -0.457 0.000 1.409 576 I HN 0.558 nan 8.210 nan 0.000 0.523 577 K N 5.131 124.841 120.400 -1.150 0.000 2.295 577 K HA 0.561 4.888 4.320 0.013 0.000 0.239 577 K C -1.479 174.284 176.600 -1.394 0.000 0.991 577 K CA -0.687 54.818 56.287 -1.302 0.000 0.845 577 K CB 2.181 33.591 32.500 -1.816 0.000 1.197 577 K HN 0.263 nan 8.250 nan 0.000 0.441 578 Y N 0.829 120.868 120.300 -0.435 0.000 2.409 578 Y HA 0.119 4.676 4.550 0.013 0.000 0.343 578 Y C 0.218 176.198 175.900 0.133 0.000 0.973 578 Y CA -0.907 57.120 58.100 -0.123 0.000 1.064 578 Y CB 1.401 39.814 38.460 -0.079 0.000 1.207 578 Y HN 0.703 nan 8.280 nan 0.000 0.452 579 D N 0.107 120.756 120.400 0.416 0.000 2.440 579 D HA 0.038 4.686 4.640 0.013 0.000 0.269 579 D C 0.857 177.276 176.300 0.199 0.000 1.249 579 D CA -0.227 53.978 54.000 0.341 0.000 1.055 579 D CB 0.563 41.496 40.800 0.223 0.000 1.104 579 D HN 0.402 nan 8.370 nan 0.000 0.561 580 E N -0.440 119.836 120.200 0.128 0.000 2.130 580 E HA -0.161 4.197 4.350 0.013 0.000 0.196 580 E C 1.318 177.959 176.600 0.069 0.000 0.998 580 E CA 0.989 57.437 56.400 0.080 0.000 0.806 580 E CB -0.378 29.351 29.700 0.048 0.000 0.738 580 E HN 0.506 nan 8.360 nan 0.000 0.459 581 N N -0.231 118.516 118.700 0.079 0.000 2.461 581 N HA -0.021 4.727 4.740 0.013 0.000 0.188 581 N C 1.199 176.754 175.510 0.074 0.000 1.134 581 N CA 0.892 53.981 53.050 0.065 0.000 0.878 581 N CB 0.642 39.165 38.487 0.061 0.000 0.972 581 N HN 0.224 nan 8.380 nan 0.000 0.456 582 G N 1.009 109.874 108.800 0.108 0.000 2.143 582 G HA2 -0.247 3.721 3.960 0.013 0.000 0.249 582 G HA3 -0.247 3.721 3.960 0.013 0.000 0.249 582 G C -0.339 174.696 174.900 0.224 0.000 0.981 582 G CA -0.374 44.791 45.100 0.108 0.000 0.665 582 G HN 0.314 nan 8.290 nan 0.000 0.528 583 N N 2.028 120.863 118.700 0.225 0.000 2.458 583 N HA 0.420 5.167 4.740 0.013 0.000 0.270 583 N C -2.297 173.367 175.510 0.258 0.000 1.102 583 N CA -1.038 52.142 53.050 0.218 0.000 0.967 583 N CB 1.750 40.333 38.487 0.160 0.000 1.078 583 N HN 0.250 nan 8.380 nan 0.000 0.471 584 P HA 0.313 nan 4.420 nan 0.000 0.281 584 P C -0.494 176.790 177.300 -0.026 0.000 1.249 584 P CA -0.420 62.575 63.100 -0.174 0.000 0.810 584 P CB 0.929 32.509 31.700 -0.201 0.000 1.008 585 W N -0.885 120.189 121.300 -0.376 0.000 3.118 585 W HA 0.434 5.101 4.660 0.013 0.000 0.328 585 W C -1.541 174.803 176.519 -0.291 0.000 1.239 585 W CA -1.068 56.060 57.345 -0.361 0.000 1.176 585 W CB 0.441 29.469 29.460 -0.720 0.000 1.433 585 W HN 0.114 nan 8.180 nan 0.000 0.562 586 S N 1.548 117.346 115.700 0.164 0.000 2.474 586 S HA 0.566 5.043 4.470 0.013 0.000 0.276 586 S C 0.146 174.930 174.600 0.307 0.000 1.227 586 S CA -0.270 58.017 58.200 0.145 0.000 1.050 586 S CB 0.836 64.170 63.200 0.224 0.000 0.939 586 S HN 0.595 nan 8.310 nan 0.000 0.490 587 A N 3.113 125.974 122.820 0.068 0.000 2.325 587 A HA 0.848 5.176 4.320 0.013 0.000 0.333 587 A C -0.622 177.227 177.584 0.441 0.000 1.155 587 A CA -0.719 51.400 52.037 0.137 0.000 0.814 587 A CB 0.590 19.369 19.000 -0.368 0.000 1.206 587 A HN 0.833 nan 8.150 nan 0.000 0.482 588 Y N -0.215 120.403 120.300 0.529 0.000 2.914 588 Y HA 0.786 5.344 4.550 0.013 0.000 0.315 588 Y C 0.647 176.890 175.900 0.572 0.000 1.345 588 Y CA -1.470 56.931 58.100 0.501 0.000 1.121 588 Y CB -0.102 38.487 38.460 0.215 0.000 1.363 588 Y HN 0.873 nan 8.280 nan 0.000 0.566 589 G N -0.303 108.894 108.800 0.662 0.000 2.353 589 G HA2 0.379 4.346 3.960 0.013 0.000 0.239 589 G HA3 0.379 4.346 3.960 0.013 0.000 0.239 589 G C 0.934 176.149 174.900 0.525 0.000 1.295 589 G CA 0.327 45.737 45.100 0.517 0.000 0.884 589 G HN 1.970 nan 8.290 nan 0.000 0.537 590 G N 2.027 111.099 108.800 0.455 0.000 2.253 590 G HA2 -0.281 3.687 3.960 0.013 0.000 0.251 590 G HA3 -0.281 3.687 3.960 0.013 0.000 0.251 590 G C 0.909 175.991 174.900 0.304 0.000 0.998 590 G CA 0.676 45.982 45.100 0.343 0.000 0.621 590 G HN 0.640 nan 8.290 nan 0.000 0.524 591 D N -0.223 120.363 120.400 0.310 0.000 2.378 591 D HA 0.151 4.798 4.640 0.013 0.000 0.227 591 D C 1.276 177.435 176.300 -0.234 0.000 1.012 591 D CA 0.504 54.526 54.000 0.037 0.000 0.905 591 D CB -0.190 40.574 40.800 -0.060 0.000 0.895 591 D HN 0.488 nan 8.370 nan 0.000 0.532 592 F N -0.982 119.094 119.950 0.211 0.000 2.683 592 F HA 0.305 4.840 4.527 0.013 0.000 0.306 592 F C 1.792 177.678 175.800 0.142 0.000 1.102 592 F CA -0.163 57.920 58.000 0.138 0.000 1.244 592 F CB 0.864 39.939 39.000 0.125 0.000 1.029 592 F HN -0.044 nan 8.300 nan 0.000 0.545 593 G N 0.305 109.259 108.800 0.257 0.000 2.176 593 G HA2 -0.274 3.694 3.960 0.013 0.000 0.253 593 G HA3 -0.274 3.694 3.960 0.013 0.000 0.253 593 G C -0.195 174.837 174.900 0.220 0.000 0.979 593 G CA 0.120 45.340 45.100 0.200 0.000 0.641 593 G HN 0.392 nan 8.290 nan 0.000 0.530 594 D N 0.627 121.205 120.400 0.295 0.000 2.417 594 D HA 0.489 5.137 4.640 0.013 0.000 0.250 594 D C 0.147 176.562 176.300 0.192 0.000 1.166 594 D CA 1.033 55.193 54.000 0.267 0.000 0.881 594 D CB 1.562 42.578 40.800 0.359 0.000 1.164 594 D HN 0.396 nan 8.370 nan 0.000 0.467 595 T N 1.089 115.726 114.554 0.138 0.000 3.047 595 T HA 0.411 4.769 4.350 0.013 0.000 0.340 595 T C -2.773 171.960 174.700 0.055 0.000 1.421 595 T CA -1.169 60.984 62.100 0.088 0.000 1.090 595 T CB 1.005 69.928 68.868 0.092 0.000 1.292 595 T HN 0.202 nan 8.240 nan 0.000 0.480 596 P HA 0.449 nan 4.420 nan 0.000 0.270 596 P C -0.900 176.384 177.300 -0.026 0.000 1.223 596 P CA -0.233 62.861 63.100 -0.010 0.000 0.785 596 P CB 0.294 31.963 31.700 -0.052 0.000 0.923 597 N N -1.493 117.188 118.700 -0.031 0.000 2.647 597 N HA 0.324 5.071 4.740 0.013 0.000 0.266 597 N C -1.134 174.310 175.510 -0.111 0.000 1.373 597 N CA -0.790 52.216 53.050 -0.073 0.000 0.807 597 N CB 0.965 39.496 38.487 0.074 0.000 1.513 597 N HN 0.073 nan 8.380 nan 0.000 0.505 598 D N -0.246 120.027 120.400 -0.211 0.000 2.755 598 D HA 0.143 4.790 4.640 0.013 0.000 0.257 598 D C 0.424 176.899 176.300 0.292 0.000 1.291 598 D CA -0.148 53.808 54.000 -0.072 0.000 0.836 598 D CB 0.139 40.736 40.800 -0.339 0.000 1.059 598 D HN 0.723 nan 8.370 nan 0.000 0.486 599 R N 0.729 121.399 120.500 0.282 0.000 3.587 599 R HA -0.316 4.032 4.340 0.013 0.000 0.556 599 R C 0.983 177.299 176.300 0.028 0.000 0.241 599 R CA 1.485 57.752 56.100 0.278 0.000 1.724 599 R CB -1.562 28.819 30.300 0.135 0.000 0.885 599 R HN 0.131 nan 8.270 nan 0.000 0.613 600 Q N 1.515 120.985 119.800 -0.550 0.000 2.373 600 Q HA 0.040 4.388 4.340 0.013 0.000 0.206 600 Q C 1.490 177.209 176.000 -0.468 0.000 0.942 600 Q CA 1.042 56.350 55.803 -0.826 0.000 0.953 600 Q CB 0.031 28.062 28.738 -1.180 0.000 1.022 600 Q HN 0.615 nan 8.270 nan 0.000 0.502 601 F N 1.394 121.261 119.950 -0.139 0.000 2.641 601 F HA -0.119 4.415 4.527 0.012 0.000 0.298 601 F C 2.099 177.838 175.800 -0.102 0.000 1.146 601 F CA 0.928 58.930 58.000 0.002 0.000 1.464 601 F CB -0.007 39.066 39.000 0.121 0.000 1.101 601 F HN 0.394 nan 8.300 nan 0.000 0.585 602 C N -1.324 117.692 119.300 -0.474 0.000 2.576 602 C HA 0.199 4.667 4.460 0.013 0.000 0.267 602 C C 1.015 175.790 174.990 -0.357 0.000 1.364 602 C CA -0.479 58.078 59.018 -0.768 0.000 1.723 602 C CB -1.697 25.101 27.740 -1.570 0.000 1.778 602 C HN 0.187 nan 8.230 nan 0.000 0.572 603 M N 2.624 122.071 119.600 -0.256 0.000 2.060 603 M HA 0.272 4.760 4.480 0.013 0.000 0.342 603 M C -0.373 175.794 176.300 -0.221 0.000 1.031 603 M CA 0.338 55.516 55.300 -0.203 0.000 0.981 603 M CB 0.000 32.512 32.600 -0.148 0.000 1.376 603 M HN 0.361 nan 8.290 nan 0.000 0.397 604 N N 0.918 119.483 118.700 -0.225 0.000 2.240 604 N HA 0.193 4.941 4.740 0.013 0.000 0.240 604 N C 0.347 175.645 175.510 -0.353 0.000 1.277 604 N CA -0.543 52.328 53.050 -0.298 0.000 0.873 604 N CB 1.233 39.596 38.487 -0.206 0.000 1.222 604 N HN 0.651 nan 8.380 nan 0.000 0.507 605 G N 0.054 108.669 108.800 -0.309 0.000 2.476 605 G HA2 0.337 4.305 3.960 0.013 0.000 0.286 605 G HA3 0.337 4.305 3.960 0.013 0.000 0.286 605 G C 0.752 175.503 174.900 -0.249 0.000 1.177 605 G CA -0.538 44.371 45.100 -0.318 0.000 0.870 605 G HN 0.107 nan 8.290 nan 0.000 0.528 606 L N 0.163 121.191 121.223 -0.325 0.000 2.291 606 L HA 0.080 4.428 4.340 0.013 0.000 0.214 606 L C 0.928 177.597 176.870 -0.334 0.000 1.120 606 L CA 0.476 55.156 54.840 -0.267 0.000 0.799 606 L CB -0.378 41.516 42.059 -0.275 0.000 0.925 606 L HN 0.402 nan 8.230 nan 0.000 0.446 607 V N -5.078 114.474 119.914 -0.604 0.000 2.914 607 V HA 0.457 4.584 4.120 0.013 0.000 0.314 607 V C -0.164 175.555 176.094 -0.625 0.000 1.084 607 V CA -1.299 60.599 62.300 -0.671 0.000 0.963 607 V CB 1.527 32.894 31.823 -0.759 0.000 1.025 607 V HN -0.147 nan 8.190 nan 0.000 0.432 608 F N 1.733 121.296 119.950 -0.645 0.000 2.485 608 F HA 0.495 5.030 4.527 0.013 0.000 0.327 608 F C 1.974 177.625 175.800 -0.248 0.000 1.203 608 F CA 0.776 58.536 58.000 -0.399 0.000 1.295 608 F CB 0.747 39.531 39.000 -0.361 0.000 1.191 608 F HN 0.787 nan 8.300 nan 0.000 0.588 609 A N 0.810 123.671 122.820 0.069 0.000 1.986 609 A HA -0.231 4.097 4.320 0.013 0.000 0.220 609 A C 1.627 179.172 177.584 -0.065 0.000 1.171 609 A CA 1.923 53.977 52.037 0.028 0.000 0.640 609 A CB -0.962 18.095 19.000 0.094 0.000 0.811 609 A HN 0.792 nan 8.150 nan 0.000 0.451 610 D N -2.946 117.421 120.400 -0.055 0.000 2.319 610 D HA 0.140 4.787 4.640 0.013 0.000 0.230 610 D C 0.589 176.845 176.300 -0.073 0.000 1.094 610 D CA 0.002 53.941 54.000 -0.102 0.000 0.856 610 D CB -0.077 40.663 40.800 -0.099 0.000 0.915 610 D HN 0.204 nan 8.370 nan 0.000 0.517 611 R N -1.901 118.556 120.500 -0.071 0.000 3.804 611 R HA -0.119 4.229 4.340 0.013 0.000 0.459 611 R C -0.245 176.019 176.300 -0.059 0.000 1.009 611 R CA 1.014 57.072 56.100 -0.069 0.000 1.210 611 R CB -3.298 27.009 30.300 0.012 0.000 1.860 611 R HN 0.243 nan 8.270 nan 0.000 0.526 612 T N 2.661 117.191 114.554 -0.041 0.000 2.901 612 T HA 0.369 4.727 4.350 0.013 0.000 0.301 612 T C -2.271 172.424 174.700 -0.008 0.000 1.012 612 T CA -0.806 61.280 62.100 -0.023 0.000 1.135 612 T CB 1.060 69.876 68.868 -0.087 0.000 0.936 612 T HN -0.096 nan 8.240 nan 0.000 0.539 613 P HA 0.269 nan 4.420 nan 0.000 0.274 613 P C -0.426 176.794 177.300 -0.133 0.000 1.231 613 P CA -0.346 62.682 63.100 -0.119 0.000 0.790 613 P CB 0.461 32.138 31.700 -0.038 0.000 0.951 614 H N 2.029 120.985 119.070 -0.189 0.000 2.508 614 H HA 0.167 4.731 4.556 0.013 0.000 0.358 614 H C -1.238 174.019 175.328 -0.119 0.000 1.212 614 H CA -1.304 54.596 56.048 -0.245 0.000 1.356 614 H CB 0.055 29.616 29.762 -0.334 0.000 1.525 614 H HN 0.353 nan 8.280 nan 0.000 0.578 615 P HA -0.203 nan 4.420 nan 0.000 0.218 615 P C 1.025 178.339 177.300 0.023 0.000 1.148 615 P CA 1.750 64.863 63.100 0.022 0.000 0.822 615 P CB 0.026 31.746 31.700 0.033 0.000 0.784 616 A N -0.605 122.223 122.820 0.014 0.000 2.024 616 A HA -0.199 4.129 4.320 0.013 0.000 0.220 616 A C 2.070 179.616 177.584 -0.064 0.000 1.164 616 A CA 1.334 53.337 52.037 -0.056 0.000 0.643 616 A CB -1.600 17.326 19.000 -0.124 0.000 0.806 616 A HN 0.177 nan 8.150 nan 0.000 0.451 617 L N -0.225 120.989 121.223 -0.015 0.000 2.131 617 L HA -0.113 4.234 4.340 0.013 0.000 0.210 617 L C 2.345 179.270 176.870 0.091 0.000 1.092 617 L CA 2.691 57.557 54.840 0.043 0.000 0.759 617 L CB -0.837 41.256 42.059 0.056 0.000 0.903 617 L HN 0.364 nan 8.230 nan 0.000 0.435 618 T N -1.314 113.300 114.554 0.099 0.000 2.951 618 T HA -0.139 4.219 4.350 0.013 0.000 0.268 618 T C 1.671 176.489 174.700 0.196 0.000 1.073 618 T CA 1.171 63.389 62.100 0.197 0.000 1.134 618 T CB -0.076 68.894 68.868 0.169 0.000 0.884 618 T HN 0.324 nan 8.240 nan 0.000 0.479 619 E N 1.786 122.040 120.200 0.090 0.000 2.051 619 E HA -0.042 4.316 4.350 0.013 0.000 0.192 619 E C 2.283 178.886 176.600 0.005 0.000 0.991 619 E CA 1.350 57.798 56.400 0.080 0.000 0.799 619 E CB -0.536 29.173 29.700 0.016 0.000 0.748 619 E HN 0.427 nan 8.360 nan 0.000 0.449 620 A N 0.999 123.717 122.820 -0.170 0.000 1.877 620 A HA -0.249 4.079 4.320 0.013 0.000 0.216 620 A C 2.175 179.646 177.584 -0.190 0.000 1.186 620 A CA 2.029 53.919 52.037 -0.244 0.000 0.620 620 A CB -0.683 18.186 19.000 -0.217 0.000 0.822 620 A HN 0.276 nan 8.150 nan 0.000 0.443 621 K N -1.280 119.087 120.400 -0.055 0.000 2.044 621 K HA -0.302 4.026 4.320 0.013 0.000 0.210 621 K C 2.066 178.554 176.600 -0.188 0.000 1.049 621 K CA 2.096 58.358 56.287 -0.042 0.000 0.927 621 K CB -0.349 32.281 32.500 0.217 0.000 0.713 621 K HN 0.650 nan 8.250 nan 0.000 0.443 622 H N 0.330 119.206 119.070 -0.323 0.000 2.326 622 H HA -0.019 4.545 4.556 0.013 0.000 0.301 622 H C 1.971 177.016 175.328 -0.471 0.000 1.081 622 H CA 1.748 57.407 56.048 -0.648 0.000 1.334 622 H CB 0.073 29.489 29.762 -0.575 0.000 1.385 622 H HN 0.233 nan 8.280 nan 0.000 0.504 623 Q N 0.255 119.775 119.800 -0.466 0.000 2.224 623 Q HA -0.085 4.262 4.340 0.013 0.000 0.203 623 Q C 1.599 177.066 176.000 -0.888 0.000 0.970 623 Q CA 1.161 56.641 55.803 -0.538 0.000 0.865 623 Q CB 0.031 28.637 28.738 -0.221 0.000 0.922 623 Q HN 0.703 nan 8.270 nan 0.000 0.445 624 Q N 0.151 119.373 119.800 -0.964 0.000 2.322 624 Q HA 0.066 4.414 4.340 0.013 0.000 0.203 624 Q C -0.062 175.374 176.000 -0.940 0.000 0.923 624 Q CA -0.197 54.874 55.803 -1.220 0.000 0.949 624 Q CB 0.317 28.381 28.738 -1.123 0.000 1.039 624 Q HN 0.381 nan 8.270 nan 0.000 0.496 625 Q N -0.518 118.884 119.800 -0.664 0.000 2.428 625 Q HA -0.037 4.311 4.340 0.013 0.000 0.276 625 Q C -0.109 175.526 176.000 -0.607 0.000 1.059 625 Q CA 0.413 55.959 55.803 -0.428 0.000 0.923 625 Q CB 0.446 29.013 28.738 -0.286 0.000 1.283 625 Q HN 0.294 nan 8.270 nan 0.000 0.447 626 F N -0.036 119.673 119.950 -0.401 0.000 2.695 626 F HA 0.228 4.762 4.527 0.012 0.000 0.303 626 F C -0.189 175.027 175.800 -0.973 0.000 1.091 626 F CA -0.058 57.472 58.000 -0.783 0.000 1.300 626 F CB 0.588 38.802 39.000 -1.310 0.000 1.071 626 F HN 0.299 nan 8.300 nan 0.000 0.578 627 F N 0.583 120.446 119.950 -0.144 0.000 2.507 627 F HA 0.494 5.029 4.527 0.014 0.000 0.325 627 F C -0.054 175.398 175.800 -0.580 0.000 1.116 627 F CA -1.071 56.732 58.000 -0.329 0.000 0.930 627 F CB 1.229 40.040 39.000 -0.315 0.000 1.146 627 F HN -0.304 nan 8.300 nan 0.000 0.447 628 Q N 3.111 122.648 119.800 -0.439 0.000 2.301 628 Q HA 0.605 4.952 4.340 0.013 0.000 0.267 628 Q C -1.331 174.409 176.000 -0.434 0.000 1.035 628 Q CA -0.662 54.935 55.803 -0.343 0.000 0.856 628 Q CB 2.946 31.607 28.738 -0.130 0.000 1.337 628 Q HN 0.578 nan 8.270 nan 0.000 0.450 629 F N 0.427 120.501 119.950 0.206 0.000 2.588 629 F HA 0.607 5.142 4.527 0.014 0.000 0.314 629 F C 0.207 176.233 175.800 0.377 0.000 1.069 629 F CA -1.031 57.160 58.000 0.318 0.000 0.931 629 F CB 1.751 41.056 39.000 0.508 0.000 1.260 629 F HN 0.112 nan 8.300 nan 0.000 0.465 630 R N 1.511 122.310 120.500 0.499 0.000 2.771 630 R HA 0.715 5.062 4.340 0.013 0.000 0.274 630 R C -1.906 174.461 176.300 0.112 0.000 0.987 630 R CA -1.189 55.129 56.100 0.362 0.000 0.908 630 R CB 2.215 32.631 30.300 0.193 0.000 1.213 630 R HN 0.645 nan 8.270 nan 0.000 0.468 631 L N -0.338 120.813 121.223 -0.122 0.000 2.386 631 L HA 0.682 5.029 4.340 0.013 0.000 0.271 631 L C -0.907 175.811 176.870 -0.253 0.000 0.993 631 L CA 0.080 54.639 54.840 -0.467 0.000 0.819 631 L CB 2.351 43.705 42.059 -1.175 0.000 1.294 631 L HN 0.521 nan 8.230 nan 0.000 0.414 632 S N 3.323 118.893 115.700 -0.217 0.000 2.721 632 S HA 0.676 5.153 4.470 0.013 0.000 0.264 632 S C 0.208 174.721 174.600 -0.145 0.000 1.161 632 S CA 0.191 58.308 58.200 -0.139 0.000 1.113 632 S CB 0.319 63.472 63.200 -0.079 0.000 1.079 632 S HN 1.512 nan 8.310 nan 0.000 0.479 633 G N 4.368 113.082 108.800 -0.145 0.000 2.565 633 G HA2 -0.322 3.645 3.960 0.013 0.000 0.295 633 G HA3 -0.322 3.645 3.960 0.013 0.000 0.295 633 G C 0.252 175.050 174.900 -0.171 0.000 1.165 633 G CA 0.736 45.757 45.100 -0.131 0.000 0.977 633 G HN 0.918 nan 8.290 nan 0.000 0.546 634 Q N -0.318 119.388 119.800 -0.156 0.000 2.175 634 Q HA 0.509 4.857 4.340 0.013 0.000 0.225 634 Q C -0.040 175.833 176.000 -0.211 0.000 0.837 634 Q CA 0.434 56.118 55.803 -0.198 0.000 1.032 634 Q CB 0.480 29.102 28.738 -0.194 0.000 1.137 634 Q HN 0.400 nan 8.270 nan 0.000 0.483 635 T N 1.494 115.936 114.554 -0.186 0.000 2.771 635 T HA 0.522 4.879 4.350 0.013 0.000 0.281 635 T C -0.327 174.262 174.700 -0.184 0.000 0.982 635 T CA -0.439 61.567 62.100 -0.156 0.000 0.978 635 T CB 1.080 69.887 68.868 -0.102 0.000 0.930 635 T HN 0.214 nan 8.240 nan 0.000 0.447 636 I N 2.695 123.172 120.570 -0.155 0.000 2.359 636 I HA 0.318 4.495 4.170 0.013 0.000 0.294 636 I C 0.508 176.637 176.117 0.019 0.000 0.987 636 I CA -0.647 60.585 61.300 -0.113 0.000 1.225 636 I CB 1.448 39.403 38.000 -0.075 0.000 1.366 636 I HN 0.568 nan 8.210 nan 0.000 0.466 637 E N 6.647 126.893 120.200 0.077 0.000 2.109 637 E HA 0.410 4.767 4.350 0.013 0.000 0.278 637 E C -1.547 175.159 176.600 0.177 0.000 0.954 637 E CA -0.574 55.888 56.400 0.102 0.000 0.779 637 E CB 1.509 31.254 29.700 0.075 0.000 1.093 637 E HN 0.344 nan 8.360 nan 0.000 0.401 638 V N 4.203 124.202 119.914 0.142 0.000 2.398 638 V HA 0.320 4.447 4.120 0.013 0.000 0.286 638 V C 0.030 176.150 176.094 0.044 0.000 1.026 638 V CA -0.585 61.767 62.300 0.087 0.000 0.868 638 V CB 1.685 33.586 31.823 0.130 0.000 0.982 638 V HN 0.697 nan 8.190 nan 0.000 0.443 639 T N 3.228 117.768 114.554 -0.023 0.000 2.807 639 T HA 0.359 4.717 4.350 0.013 0.000 0.279 639 T C -0.063 174.632 174.700 -0.008 0.000 0.993 639 T CA -0.266 61.830 62.100 -0.006 0.000 0.970 639 T CB 1.588 70.435 68.868 -0.035 0.000 0.950 639 T HN 0.686 nan 8.240 nan 0.000 0.441 640 S N 1.694 117.398 115.700 0.007 0.000 2.499 640 S HA 0.227 4.705 4.470 0.013 0.000 0.279 640 S C 0.793 175.272 174.600 -0.201 0.000 1.219 640 S CA -0.566 57.568 58.200 -0.109 0.000 1.062 640 S CB 0.608 63.824 63.200 0.027 0.000 0.978 640 S HN 0.723 nan 8.310 nan 0.000 0.489 641 E N 2.976 122.955 120.200 -0.369 0.000 2.474 641 E HA 0.086 4.443 4.350 0.013 0.000 0.195 641 E C -0.670 175.765 176.600 -0.275 0.000 1.039 641 E CA -0.094 56.126 56.400 -0.300 0.000 0.881 641 E CB 0.275 29.771 29.700 -0.339 0.000 0.970 641 E HN 0.699 nan 8.360 nan 0.000 0.486 642 Y N 0.376 120.562 120.300 -0.190 0.000 2.457 642 Y HA -0.026 4.531 4.550 0.012 0.000 0.341 642 Y C 1.458 177.200 175.900 -0.263 0.000 1.240 642 Y CA 0.091 58.081 58.100 -0.184 0.000 1.437 642 Y CB 0.718 39.052 38.460 -0.211 0.000 1.328 642 Y HN -0.043 nan 8.280 nan 0.000 0.588 643 L N 0.966 122.027 121.223 -0.271 0.000 2.515 643 L HA 0.082 4.429 4.340 0.013 0.000 0.223 643 L C 0.605 177.035 176.870 -0.733 0.000 1.079 643 L CA 0.553 54.983 54.840 -0.683 0.000 0.857 643 L CB 0.054 41.306 42.059 -1.345 0.000 1.050 643 L HN 0.642 nan 8.230 nan 0.000 0.476 644 F N -0.488 119.484 119.950 0.036 0.000 2.729 644 F HA 0.217 4.751 4.527 0.011 0.000 0.304 644 F C 1.162 176.951 175.800 -0.019 0.000 1.008 644 F CA -0.779 57.213 58.000 -0.012 0.000 1.188 644 F CB 0.407 39.377 39.000 -0.049 0.000 0.980 644 F HN -0.148 nan 8.300 nan 0.000 0.627 645 R N 0.004 120.550 120.500 0.077 0.000 2.668 645 R HA 0.495 4.842 4.340 0.013 0.000 0.279 645 R C -1.108 175.186 176.300 -0.010 0.000 0.976 645 R CA -0.711 55.384 56.100 -0.007 0.000 0.978 645 R CB 1.043 31.238 30.300 -0.176 0.000 1.133 645 R HN 0.019 nan 8.270 nan 0.000 0.484 646 H N 0.480 119.530 119.070 -0.033 0.000 2.546 646 H HA 0.105 4.668 4.556 0.012 0.000 0.365 646 H C 0.035 175.367 175.328 0.006 0.000 1.220 646 H CA 0.307 56.362 56.048 0.013 0.000 1.386 646 H CB 1.231 31.005 29.762 0.020 0.000 1.510 646 H HN 0.753 nan 8.280 nan 0.000 0.591 647 S N 1.627 117.264 115.700 -0.105 0.000 4.183 647 S HA -0.020 4.457 4.470 0.013 0.000 0.195 647 S C 0.058 174.745 174.600 0.145 0.000 1.421 647 S CA -0.269 57.989 58.200 0.096 0.000 0.920 647 S CB -0.745 62.544 63.200 0.148 0.000 1.525 647 S HN 0.698 nan 8.310 nan 0.000 0.447 648 D N 0.734 121.219 120.400 0.141 0.000 2.319 648 D HA 0.027 4.675 4.640 0.013 0.000 0.230 648 D C 0.303 176.641 176.300 0.063 0.000 1.094 648 D CA -0.159 53.912 54.000 0.118 0.000 0.856 648 D CB -0.376 40.480 40.800 0.094 0.000 0.915 648 D HN 0.509 nan 8.370 nan 0.000 0.517 649 N N 0.004 118.740 118.700 0.060 0.000 2.639 649 N HA 0.164 4.911 4.740 0.013 0.000 0.265 649 N C -1.604 173.938 175.510 0.053 0.000 1.689 649 N CA -0.214 52.861 53.050 0.043 0.000 0.813 649 N CB 0.338 38.842 38.487 0.029 0.000 1.353 649 N HN -0.058 nan 8.380 nan 0.000 0.510 650 E N -0.156 120.063 120.200 0.032 0.000 2.372 650 E HA 0.560 4.918 4.350 0.013 0.000 0.279 650 E C -1.605 174.971 176.600 -0.040 0.000 0.946 650 E CA -0.778 55.616 56.400 -0.010 0.000 0.769 650 E CB 1.889 31.548 29.700 -0.069 0.000 1.230 650 E HN 0.221 nan 8.360 nan 0.000 0.442 651 L N -0.355 120.819 121.223 -0.081 0.000 2.424 651 L HA 0.718 5.066 4.340 0.013 0.000 0.258 651 L C -1.665 175.117 176.870 -0.148 0.000 0.995 651 L CA -0.990 53.795 54.840 -0.092 0.000 0.821 651 L CB 0.772 42.796 42.059 -0.059 0.000 1.383 651 L HN 0.541 nan 8.230 nan 0.000 0.410 652 L N 2.079 123.273 121.223 -0.047 0.000 2.282 652 L HA 0.582 4.929 4.340 0.013 0.000 0.288 652 L C -0.547 176.399 176.870 0.128 0.000 1.033 652 L CA 0.318 55.181 54.840 0.038 0.000 0.807 652 L CB 0.712 42.865 42.059 0.157 0.000 1.209 652 L HN 0.737 nan 8.230 nan 0.000 0.423 653 H N 4.737 123.891 119.070 0.139 0.000 2.499 653 H HA 0.545 5.109 4.556 0.013 0.000 0.340 653 H C -1.154 174.285 175.328 0.186 0.000 1.148 653 H CA -0.667 55.430 56.048 0.082 0.000 1.215 653 H CB 1.232 31.000 29.762 0.010 0.000 1.529 653 H HN 0.665 nan 8.280 nan 0.000 0.510 654 W N 2.958 124.364 121.300 0.178 0.000 3.033 654 W HA 0.554 5.221 4.660 0.013 0.000 0.336 654 W C -2.090 174.477 176.519 0.080 0.000 1.173 654 W CA -1.268 56.149 57.345 0.121 0.000 1.185 654 W CB 1.432 30.950 29.460 0.097 0.000 1.425 654 W HN 0.516 nan 8.180 nan 0.000 0.536 655 M N 3.148 122.943 119.600 0.325 0.000 2.371 655 M HA 0.606 5.093 4.480 0.013 0.000 0.287 655 M C -2.521 173.970 176.300 0.319 0.000 1.149 655 M CA -0.545 54.828 55.300 0.122 0.000 0.929 655 M CB 2.053 34.659 32.600 0.011 0.000 1.683 655 M HN 0.207 nan 8.290 nan 0.000 0.470 656 V N 3.953 124.047 119.914 0.301 0.000 2.459 656 V HA 1.010 5.138 4.120 0.013 0.000 0.295 656 V C -0.360 175.842 176.094 0.180 0.000 1.029 656 V CA -0.139 62.331 62.300 0.283 0.000 0.874 656 V CB 1.190 33.196 31.823 0.305 0.000 0.985 656 V HN 1.074 nan 8.190 nan 0.000 0.438 657 A N 4.610 127.548 122.820 0.196 0.000 2.498 657 A HA 0.912 5.240 4.320 0.013 0.000 0.298 657 A C -1.532 176.168 177.584 0.193 0.000 1.075 657 A CA -0.621 51.501 52.037 0.141 0.000 0.714 657 A CB 1.769 20.818 19.000 0.082 0.000 1.299 657 A HN 0.826 nan 8.150 nan 0.000 0.407 658 L N 1.365 122.671 121.223 0.138 0.000 2.298 658 L HA 0.531 4.878 4.340 0.013 0.000 0.284 658 L C -0.598 176.364 176.870 0.153 0.000 1.013 658 L CA 0.151 55.088 54.840 0.161 0.000 0.824 658 L CB 0.753 42.874 42.059 0.104 0.000 1.221 658 L HN 0.776 nan 8.230 nan 0.000 0.418 659 D N 4.633 125.186 120.400 0.255 0.000 2.692 659 D HA -0.226 4.422 4.640 0.013 0.000 0.233 659 D C 1.096 177.428 176.300 0.054 0.000 1.172 659 D CA 1.371 55.509 54.000 0.230 0.000 0.636 659 D CB -1.153 39.758 40.800 0.184 0.000 1.028 659 D HN 1.202 nan 8.370 nan 0.000 0.419 660 G N -0.702 108.092 108.800 -0.010 0.000 2.241 660 G HA2 -0.338 3.629 3.960 0.013 0.000 0.244 660 G HA3 -0.338 3.629 3.960 0.013 0.000 0.244 660 G C 0.150 174.960 174.900 -0.150 0.000 0.998 660 G CA 0.409 45.392 45.100 -0.195 0.000 0.621 660 G HN 0.520 nan 8.290 nan 0.000 0.519 661 K N 1.679 122.043 120.400 -0.061 0.000 2.240 661 K HA 0.523 4.851 4.320 0.013 0.000 0.271 661 K C -2.937 173.647 176.600 -0.027 0.000 1.018 661 K CA -2.058 54.196 56.287 -0.055 0.000 0.874 661 K CB 2.065 34.548 32.500 -0.027 0.000 1.098 661 K HN 0.026 nan 8.250 nan 0.000 0.458 662 P HA 0.017 nan 4.420 nan 0.000 0.267 662 P C -0.001 177.291 177.300 -0.014 0.000 1.205 662 P CA 0.060 63.136 63.100 -0.039 0.000 0.765 662 P CB 0.596 32.248 31.700 -0.079 0.000 0.828 663 L N 1.341 122.575 121.223 0.018 0.000 2.653 663 L HA 0.505 4.853 4.340 0.013 0.000 0.230 663 L C 0.834 177.727 176.870 0.039 0.000 1.055 663 L CA 0.242 55.103 54.840 0.034 0.000 0.880 663 L CB 0.200 42.299 42.059 0.067 0.000 1.195 663 L HN 0.371 nan 8.230 nan 0.000 0.492 664 A N -0.051 122.796 122.820 0.045 0.000 2.608 664 A HA 0.696 5.024 4.320 0.013 0.000 0.292 664 A C -0.881 176.585 177.584 -0.197 0.000 1.066 664 A CA 0.046 52.100 52.037 0.029 0.000 0.676 664 A CB 1.707 20.849 19.000 0.237 0.000 1.277 664 A HN 0.078 nan 8.150 nan 0.000 0.413 665 S N -0.518 114.809 115.700 -0.621 0.000 2.595 665 S HA 0.939 5.417 4.470 0.013 0.000 0.270 665 S C -0.287 173.418 174.600 -1.491 0.000 1.145 665 S CA 0.120 57.573 58.200 -1.244 0.000 0.825 665 S CB 0.947 63.775 63.200 -0.619 0.000 1.107 665 S HN 2.687 nan 8.310 nan 0.000 0.461 666 G N 0.164 107.881 108.800 -1.804 0.000 2.489 666 G HA2 0.657 4.625 3.960 0.013 0.000 0.305 666 G HA3 0.657 4.625 3.960 0.013 0.000 0.305 666 G C -2.254 172.357 174.900 -0.481 0.000 1.311 666 G CA -0.491 44.097 45.100 -0.853 0.000 0.813 666 G HN 1.148 nan 8.290 nan 0.000 0.480 667 E N -1.712 118.511 120.200 0.039 0.000 2.383 667 E HA 0.713 5.071 4.350 0.013 0.000 0.275 667 E C -1.686 175.071 176.600 0.261 0.000 0.918 667 E CA -1.073 55.469 56.400 0.235 0.000 0.764 667 E CB 2.966 32.847 29.700 0.301 0.000 1.252 667 E HN 0.479 nan 8.360 nan 0.000 0.449 668 V N 1.839 121.895 119.914 0.238 0.000 2.733 668 V HA 0.419 4.546 4.120 0.013 0.000 0.306 668 V C -2.469 173.692 176.094 0.111 0.000 1.084 668 V CA -1.886 60.520 62.300 0.175 0.000 0.905 668 V CB 2.180 34.121 31.823 0.198 0.000 1.010 668 V HN 0.679 nan 8.190 nan 0.000 0.424 669 P HA 0.290 nan 4.420 nan 0.000 0.271 669 P C -0.889 176.442 177.300 0.052 0.000 1.218 669 P CA -0.069 63.066 63.100 0.058 0.000 0.780 669 P CB 0.732 32.468 31.700 0.059 0.000 0.901 670 L N 2.613 123.851 121.223 0.025 0.000 2.295 670 L HA 0.383 4.730 4.340 0.013 0.000 0.285 670 L C 0.305 177.206 176.870 0.052 0.000 1.035 670 L CA -0.141 54.707 54.840 0.013 0.000 0.806 670 L CB 1.246 43.256 42.059 -0.082 0.000 1.214 670 L HN 0.301 nan 8.230 nan 0.000 0.426 671 D N 3.332 123.778 120.400 0.076 0.000 2.405 671 D HA 0.317 4.965 4.640 0.013 0.000 0.264 671 D C -1.305 175.040 176.300 0.075 0.000 1.240 671 D CA -0.135 53.959 54.000 0.157 0.000 0.893 671 D CB 1.170 42.077 40.800 0.178 0.000 1.198 671 D HN 0.032 nan 8.370 nan 0.000 0.514 672 V N 1.863 121.684 119.914 -0.155 0.000 2.448 672 V HA 0.783 4.911 4.120 0.013 0.000 0.295 672 V C 0.823 176.609 176.094 -0.512 0.000 1.025 672 V CA -1.115 61.085 62.300 -0.166 0.000 0.859 672 V CB 1.284 33.134 31.823 0.044 0.000 0.988 672 V HN 0.559 nan 8.190 nan 0.000 0.431 673 A N 7.253 129.922 122.820 -0.251 0.000 2.346 673 A HA 0.667 4.995 4.320 0.013 0.000 0.252 673 A C -2.223 175.321 177.584 -0.066 0.000 1.089 673 A CA -1.392 50.554 52.037 -0.151 0.000 0.797 673 A CB -0.122 18.936 19.000 0.097 0.000 1.047 673 A HN 0.670 nan 8.150 nan 0.000 0.494 674 P HA 0.016 nan 4.420 nan 0.000 0.264 674 P C -0.561 176.721 177.300 -0.031 0.000 1.193 674 P CA 0.582 63.675 63.100 -0.011 0.000 0.763 674 P CB 0.758 32.444 31.700 -0.023 0.000 0.810 675 Q N -0.832 118.939 119.800 -0.049 0.000 2.362 675 Q HA -0.162 4.185 4.340 0.013 0.000 0.220 675 Q C 0.779 176.764 176.000 -0.026 0.000 0.713 675 Q CA 1.790 57.560 55.803 -0.055 0.000 1.345 675 Q CB -2.480 26.223 28.738 -0.058 0.000 1.570 675 Q HN 0.782 nan 8.270 nan 0.000 0.701 676 G N 0.131 108.925 108.800 -0.009 0.000 2.537 676 G HA2 0.552 4.519 3.960 0.013 0.000 0.297 676 G HA3 0.552 4.519 3.960 0.013 0.000 0.297 676 G C -0.274 174.637 174.900 0.018 0.000 1.310 676 G CA -0.458 44.648 45.100 0.009 0.000 1.027 676 G HN -0.001 nan 8.290 nan 0.000 0.505 677 K N -1.053 119.364 120.400 0.028 0.000 2.395 677 K HA 0.525 4.853 4.320 0.013 0.000 0.247 677 K C -0.900 175.728 176.600 0.046 0.000 0.973 677 K CA -0.597 55.712 56.287 0.037 0.000 0.828 677 K CB 2.404 34.922 32.500 0.030 0.000 1.272 677 K HN 0.531 nan 8.250 nan 0.000 0.439 678 Q N 2.504 122.337 119.800 0.055 0.000 2.289 678 Q HA 0.381 4.729 4.340 0.013 0.000 0.270 678 Q C -1.753 174.280 176.000 0.055 0.000 1.038 678 Q CA -0.637 55.200 55.803 0.056 0.000 0.812 678 Q CB 1.324 30.101 28.738 0.064 0.000 1.300 678 Q HN 0.502 nan 8.270 nan 0.000 0.427 679 L N 5.017 126.264 121.223 0.039 0.000 2.282 679 L HA 0.565 4.912 4.340 0.013 0.000 0.288 679 L C -0.545 176.335 176.870 0.016 0.000 1.033 679 L CA -0.696 54.158 54.840 0.024 0.000 0.807 679 L CB 1.291 43.355 42.059 0.008 0.000 1.209 679 L HN 0.604 nan 8.230 nan 0.000 0.423 680 I N 3.640 124.211 120.570 0.002 0.000 2.411 680 I HA 0.178 4.355 4.170 0.013 0.000 0.284 680 I C -0.224 175.844 176.117 -0.082 0.000 1.012 680 I CA -0.526 60.761 61.300 -0.021 0.000 1.119 680 I CB 1.603 39.604 38.000 0.001 0.000 1.261 680 I HN 0.565 nan 8.210 nan 0.000 0.448 681 E N 7.767 127.918 120.200 -0.081 0.000 2.089 681 E HA 0.329 4.686 4.350 0.013 0.000 0.284 681 E C -0.506 175.992 176.600 -0.171 0.000 1.023 681 E CA -0.531 55.800 56.400 -0.115 0.000 0.819 681 E CB 1.637 31.293 29.700 -0.074 0.000 1.076 681 E HN 0.528 nan 8.360 nan 0.000 0.396 682 L N 4.692 125.750 121.223 -0.275 0.000 2.456 682 L HA 0.131 4.478 4.340 0.013 0.000 0.272 682 L C -1.702 175.005 176.870 -0.273 0.000 1.189 682 L CA -1.589 52.991 54.840 -0.433 0.000 0.846 682 L CB 0.156 41.888 42.059 -0.545 0.000 1.111 682 L HN 0.254 nan 8.230 nan 0.000 0.475 683 P HA -0.072 nan 4.420 nan 0.000 0.270 683 P C -0.550 176.706 177.300 -0.073 0.000 1.227 683 P CA -0.181 62.879 63.100 -0.066 0.000 0.788 683 P CB 0.423 32.158 31.700 0.057 0.000 0.926 684 E N 1.188 121.371 120.200 -0.028 0.000 2.376 684 E HA 0.092 4.449 4.350 0.013 0.000 0.266 684 E C -0.821 175.783 176.600 0.006 0.000 1.009 684 E CA -0.172 56.214 56.400 -0.023 0.000 0.902 684 E CB 0.163 29.857 29.700 -0.010 0.000 0.972 684 E HN 0.191 nan 8.360 nan 0.000 0.439 685 L N 5.753 126.977 121.223 0.001 0.000 2.358 685 L HA 0.480 4.827 4.340 0.013 0.000 0.268 685 L C -1.788 175.100 176.870 0.031 0.000 1.032 685 L CA -1.732 53.130 54.840 0.036 0.000 0.805 685 L CB 0.550 42.644 42.059 0.057 0.000 1.253 685 L HN 0.570 nan 8.230 nan 0.000 0.452 686 P HA 0.240 nan 4.420 nan 0.000 0.278 686 P C -1.154 176.161 177.300 0.026 0.000 1.258 686 P CA -0.689 62.430 63.100 0.031 0.000 0.811 686 P CB 0.720 32.441 31.700 0.035 0.000 1.063 687 Q N 0.856 120.667 119.800 0.019 0.000 2.299 687 Q HA 0.257 4.604 4.340 0.013 0.000 0.246 687 Q C -1.494 174.518 176.000 0.020 0.000 0.935 687 Q CA -1.432 54.380 55.803 0.016 0.000 0.887 687 Q CB 0.046 28.790 28.738 0.011 0.000 1.223 687 Q HN 0.331 nan 8.270 nan 0.000 0.439 688 P HA 0.122 nan 4.420 nan 0.000 0.218 688 P C -0.396 176.917 177.300 0.021 0.000 1.147 688 P CA 0.247 63.362 63.100 0.025 0.000 0.863 688 P CB 0.599 32.317 31.700 0.030 0.000 0.812 689 E N -1.240 118.971 120.200 0.018 0.000 5.235 689 E HA -0.222 4.135 4.350 0.013 0.000 0.181 689 E C 0.492 177.104 176.600 0.019 0.000 1.139 689 E CA 1.374 57.784 56.400 0.016 0.000 1.955 689 E CB -1.840 27.868 29.700 0.013 0.000 1.828 689 E HN 0.255 nan 8.360 nan 0.000 0.385 690 S N 0.747 116.460 115.700 0.023 0.000 2.555 690 S HA 0.334 4.812 4.470 0.013 0.000 0.293 690 S C 0.187 174.807 174.600 0.033 0.000 1.248 690 S CA 0.367 58.584 58.200 0.028 0.000 1.096 690 S CB 0.646 63.863 63.200 0.029 0.000 0.881 690 S HN 0.440 nan 8.310 nan 0.000 0.498 691 A N 4.440 127.281 122.820 0.035 0.000 2.507 691 A HA 0.629 4.956 4.320 0.013 0.000 0.235 691 A C 1.088 178.702 177.584 0.050 0.000 1.070 691 A CA 0.398 52.458 52.037 0.038 0.000 0.768 691 A CB -0.638 18.386 19.000 0.039 0.000 1.011 691 A HN 2.078 nan 8.150 nan 0.000 0.502 692 G N -0.511 108.318 108.800 0.048 0.000 2.347 692 G HA2 0.415 4.383 3.960 0.013 0.000 0.341 692 G HA3 0.415 4.383 3.960 0.013 0.000 0.341 692 G C -0.999 173.928 174.900 0.045 0.000 1.287 692 G CA -0.122 45.018 45.100 0.067 0.000 0.984 692 G HN 1.198 nan 8.290 nan 0.000 0.526 693 Q N -0.283 119.556 119.800 0.065 0.000 2.278 693 Q HA 0.733 5.081 4.340 0.013 0.000 0.257 693 Q C -0.178 175.848 176.000 0.044 0.000 0.928 693 Q CA -0.497 55.292 55.803 -0.024 0.000 0.932 693 Q CB 1.199 29.895 28.738 -0.069 0.000 1.221 693 Q HN 0.583 nan 8.270 nan 0.000 0.434 694 L N 4.073 125.267 121.223 -0.048 0.000 2.350 694 L HA 0.490 4.838 4.340 0.013 0.000 0.275 694 L C -0.801 176.053 176.870 -0.027 0.000 1.099 694 L CA -0.409 54.459 54.840 0.047 0.000 0.808 694 L CB 0.768 42.837 42.059 0.017 0.000 1.149 694 L HN 0.688 nan 8.230 nan 0.000 0.442 695 W N 3.767 125.122 121.300 0.092 0.000 2.819 695 W HA 0.510 5.178 4.660 0.012 0.000 0.337 695 W C -0.927 175.695 176.519 0.171 0.000 1.077 695 W CA -0.516 56.905 57.345 0.127 0.000 1.226 695 W CB 1.702 31.253 29.460 0.152 0.000 1.419 695 W HN 0.088 nan 8.180 nan 0.000 0.502 696 L N 3.085 124.581 121.223 0.454 0.000 2.307 696 L HA 0.775 5.123 4.340 0.013 0.000 0.284 696 L C -0.341 176.829 176.870 0.500 0.000 1.023 696 L CA 0.110 55.206 54.840 0.425 0.000 0.810 696 L CB 1.318 43.590 42.059 0.356 0.000 1.231 696 L HN 0.334 nan 8.230 nan 0.000 0.423 697 T N 4.956 119.749 114.554 0.399 0.000 2.841 697 T HA 0.709 5.066 4.350 0.013 0.000 0.283 697 T C -0.708 174.184 174.700 0.321 0.000 1.000 697 T CA -0.438 61.857 62.100 0.325 0.000 0.977 697 T CB 1.621 70.617 68.868 0.214 0.000 0.979 697 T HN 0.617 nan 8.240 nan 0.000 0.446 698 V N 1.306 121.379 119.914 0.265 0.000 2.914 698 V HA 0.952 5.080 4.120 0.013 0.000 0.314 698 V C -0.847 175.343 176.094 0.160 0.000 1.084 698 V CA -1.414 61.014 62.300 0.214 0.000 0.963 698 V CB 1.955 33.849 31.823 0.119 0.000 1.025 698 V HN 1.041 nan 8.190 nan 0.000 0.432 699 R N 1.610 122.228 120.500 0.197 0.000 2.668 699 R HA 0.852 5.199 4.340 0.013 0.000 0.272 699 R C -2.019 174.385 176.300 0.174 0.000 1.019 699 R CA -0.861 55.381 56.100 0.237 0.000 0.894 699 R CB 2.132 32.570 30.300 0.231 0.000 1.228 699 R HN 0.520 nan 8.270 nan 0.000 0.460 700 V N 2.573 122.619 119.914 0.220 0.000 2.407 700 V HA 0.411 4.539 4.120 0.013 0.000 0.278 700 V C -0.263 175.869 176.094 0.064 0.000 1.037 700 V CA -0.634 61.723 62.300 0.095 0.000 0.900 700 V CB 1.484 33.356 31.823 0.082 0.000 0.983 700 V HN 0.549 nan 8.190 nan 0.000 0.459 701 V N 4.956 124.829 119.914 -0.067 0.000 2.680 701 V HA 0.415 4.543 4.120 0.013 0.000 0.309 701 V C -0.302 175.788 176.094 -0.007 0.000 1.052 701 V CA -0.751 61.518 62.300 -0.052 0.000 0.908 701 V CB 2.033 33.718 31.823 -0.229 0.000 1.001 701 V HN 0.902 nan 8.190 nan 0.000 0.431 702 Q N 5.436 125.279 119.800 0.072 0.000 2.390 702 Q HA 0.285 4.633 4.340 0.013 0.000 0.249 702 Q C -1.795 174.226 176.000 0.035 0.000 0.996 702 Q CA -1.779 54.067 55.803 0.072 0.000 0.899 702 Q CB 1.962 30.771 28.738 0.120 0.000 1.216 702 Q HN 0.474 nan 8.270 nan 0.000 0.465 703 P HA -0.137 nan 4.420 nan 0.000 0.220 703 P C -0.521 176.779 177.300 0.001 0.000 1.152 703 P CA 0.996 64.105 63.100 0.014 0.000 0.812 703 P CB 0.394 32.102 31.700 0.015 0.000 0.792 704 N N -0.377 118.314 118.700 -0.016 0.000 2.473 704 N HA 0.437 5.185 4.740 0.013 0.000 0.291 704 N C -0.213 175.248 175.510 -0.083 0.000 1.083 704 N CA -0.657 52.370 53.050 -0.038 0.000 0.951 704 N CB 0.951 39.417 38.487 -0.035 0.000 1.164 704 N HN -0.048 nan 8.380 nan 0.000 0.480 705 A N 0.846 123.612 122.820 -0.091 0.000 2.448 705 A HA 0.425 4.753 4.320 0.013 0.000 0.239 705 A C 0.609 178.070 177.584 -0.205 0.000 1.080 705 A CA 0.044 51.992 52.037 -0.148 0.000 0.779 705 A CB -0.041 18.897 19.000 -0.102 0.000 1.026 705 A HN 0.717 nan 8.150 nan 0.000 0.499 706 T N -3.052 111.296 114.554 -0.343 0.000 2.742 706 T HA 0.630 4.988 4.350 0.013 0.000 0.282 706 T C 0.911 175.436 174.700 -0.293 0.000 1.025 706 T CA 0.041 61.912 62.100 -0.382 0.000 1.020 706 T CB 1.110 69.496 68.868 -0.803 0.000 1.317 706 T HN 1.387 nan 8.240 nan 0.000 0.538 707 A N -0.136 122.594 122.820 -0.150 0.000 2.121 707 A HA 0.131 4.458 4.320 0.013 0.000 0.218 707 A C 1.546 179.253 177.584 0.205 0.000 1.154 707 A CA 0.950 53.014 52.037 0.044 0.000 0.679 707 A CB -0.887 18.174 19.000 0.101 0.000 0.795 707 A HN 0.905 nan 8.150 nan 0.000 0.458 708 W N -0.869 120.497 121.300 0.109 0.000 2.714 708 W HA 0.417 5.085 4.660 0.014 0.000 0.353 708 W C -0.254 176.238 176.519 -0.045 0.000 0.999 708 W CA 0.432 57.816 57.345 0.066 0.000 1.629 708 W CB -0.916 28.581 29.460 0.062 0.000 1.106 708 W HN 0.381 nan 8.180 nan 0.000 0.545 709 S N -0.088 115.208 115.700 -0.674 0.000 2.579 709 S HA 0.456 4.934 4.470 0.013 0.000 0.272 709 S C -0.927 173.457 174.600 -0.361 0.000 1.141 709 S CA -0.720 57.105 58.200 -0.624 0.000 0.843 709 S CB 2.843 65.284 63.200 -1.266 0.000 1.122 709 S HN 0.116 nan 8.310 nan 0.000 0.468 710 E N 0.477 120.580 120.200 -0.161 0.000 2.314 710 E HA 0.574 4.931 4.350 0.013 0.000 0.262 710 E C 0.219 176.793 176.600 -0.043 0.000 1.093 710 E CA -0.777 55.582 56.400 -0.068 0.000 0.908 710 E CB 1.249 30.956 29.700 0.012 0.000 1.091 710 E HN 0.861 nan 8.360 nan 0.000 0.425 711 A N 0.518 123.321 122.820 -0.029 0.000 2.498 711 A HA 0.397 4.725 4.320 0.013 0.000 0.239 711 A C 1.085 178.691 177.584 0.036 0.000 1.068 711 A CA 0.774 52.807 52.037 -0.007 0.000 0.766 711 A CB -0.329 18.667 19.000 -0.007 0.000 1.003 711 A HN 0.793 nan 8.150 nan 0.000 0.497 712 G N 0.572 109.405 108.800 0.054 0.000 2.176 712 G HA2 -0.252 3.715 3.960 0.013 0.000 0.253 712 G HA3 -0.252 3.715 3.960 0.013 0.000 0.253 712 G C 0.288 175.249 174.900 0.100 0.000 0.979 712 G CA 0.668 45.812 45.100 0.073 0.000 0.641 712 G HN 1.788 nan 8.290 nan 0.000 0.530 713 H N 0.786 119.872 119.070 0.026 0.000 3.140 713 H HA 0.355 4.919 4.556 0.012 0.000 0.316 713 H C 0.730 176.133 175.328 0.125 0.000 0.986 713 H CA 0.563 56.651 56.048 0.067 0.000 1.397 713 H CB 0.094 29.874 29.762 0.030 0.000 1.377 713 H HN 0.336 nan 8.280 nan 0.000 0.585 714 I N 4.734 125.068 120.570 -0.394 0.000 2.325 714 I HA 0.030 4.207 4.170 0.013 0.000 0.291 714 I C 0.974 176.936 176.117 -0.258 0.000 1.019 714 I CA 0.123 61.315 61.300 -0.180 0.000 1.302 714 I CB 1.439 39.410 38.000 -0.048 0.000 1.401 714 I HN 0.795 nan 8.210 nan 0.000 0.485 715 S N 4.254 120.019 115.700 0.108 0.000 2.511 715 S HA 0.558 5.036 4.470 0.013 0.000 0.214 715 S C 0.434 175.297 174.600 0.438 0.000 0.997 715 S CA -0.023 58.383 58.200 0.344 0.000 0.908 715 S CB 0.547 64.068 63.200 0.536 0.000 0.803 715 S HN 0.700 nan 8.310 nan 0.000 0.504 716 A N 0.483 123.602 122.820 0.497 0.000 2.605 716 A HA 0.671 4.999 4.320 0.013 0.000 0.294 716 A C -1.738 176.227 177.584 0.636 0.000 1.062 716 A CA -0.903 51.403 52.037 0.449 0.000 0.682 716 A CB 0.418 19.736 19.000 0.530 0.000 1.278 716 A HN 0.929 nan 8.150 nan 0.000 0.410 717 W N -0.142 121.363 121.300 0.342 0.000 3.005 717 W HA 0.806 5.474 4.660 0.014 0.000 0.343 717 W C -1.197 175.396 176.519 0.123 0.000 1.243 717 W CA -0.618 56.818 57.345 0.152 0.000 1.186 717 W CB 1.160 30.659 29.460 0.065 0.000 1.453 717 W HN 1.059 nan 8.180 nan 0.000 0.575 718 Q N 1.017 120.883 119.800 0.110 0.000 2.594 718 Q HA 0.396 4.744 4.340 0.013 0.000 0.278 718 Q C -1.764 174.075 176.000 -0.268 0.000 0.961 718 Q CA -0.439 55.262 55.803 -0.170 0.000 0.844 718 Q CB 2.293 30.738 28.738 -0.487 0.000 1.475 718 Q HN 0.627 nan 8.270 nan 0.000 0.389 719 Q N 1.418 121.011 119.800 -0.344 0.000 2.413 719 Q HA 0.645 4.993 4.340 0.013 0.000 0.276 719 Q C -1.200 174.681 176.000 -0.199 0.000 1.099 719 Q CA -0.693 55.081 55.803 -0.048 0.000 0.814 719 Q CB 2.183 31.071 28.738 0.249 0.000 1.379 719 Q HN 0.609 nan 8.270 nan 0.000 0.436 720 W N 1.042 122.505 121.300 0.273 0.000 3.033 720 W HA 0.459 5.126 4.660 0.012 0.000 0.336 720 W C -0.408 176.077 176.519 -0.056 0.000 1.173 720 W CA -0.670 56.749 57.345 0.123 0.000 1.185 720 W CB 1.738 31.224 29.460 0.043 0.000 1.425 720 W HN 0.442 nan 8.180 nan 0.000 0.536 721 R N 1.607 122.012 120.500 -0.159 0.000 2.390 721 R HA 0.472 4.819 4.340 0.013 0.000 0.291 721 R C 0.489 176.648 176.300 -0.236 0.000 1.070 721 R CA -0.247 55.464 56.100 -0.649 0.000 1.014 721 R CB 1.138 30.968 30.300 -0.784 0.000 1.007 721 R HN 0.273 nan 8.270 nan 0.000 0.466 722 L N 1.252 122.342 121.223 -0.222 0.000 2.884 722 L HA 0.524 4.872 4.340 0.013 0.000 0.199 722 L C 0.690 177.476 176.870 -0.140 0.000 1.828 722 L CA -1.100 53.668 54.840 -0.121 0.000 2.124 722 L CB -0.027 41.998 42.059 -0.056 0.000 2.736 722 L HN 0.615 nan 8.230 nan 0.000 0.592 723 A N 0.337 123.103 122.820 -0.091 0.000 2.507 723 A HA 0.137 4.464 4.320 0.013 0.000 0.235 723 A C -0.213 177.317 177.584 -0.091 0.000 1.070 723 A CA 0.284 52.275 52.037 -0.077 0.000 0.768 723 A CB 0.023 18.995 19.000 -0.045 0.000 1.011 723 A HN 0.638 nan 8.150 nan 0.000 0.502 724 E N 1.107 121.261 120.200 -0.077 0.000 2.224 724 E HA 0.283 4.640 4.350 0.013 0.000 0.265 724 E C -1.415 175.166 176.600 -0.031 0.000 0.878 724 E CA -0.649 55.712 56.400 -0.066 0.000 0.759 724 E CB 0.828 30.479 29.700 -0.082 0.000 1.164 724 E HN 0.701 nan 8.360 nan 0.000 0.414 725 N N 5.407 124.100 118.700 -0.011 0.000 2.558 725 N HA 0.254 5.002 4.740 0.013 0.000 0.242 725 N C -0.502 175.015 175.510 0.012 0.000 0.979 725 N CA -0.342 52.709 53.050 0.001 0.000 0.931 725 N CB 1.193 39.684 38.487 0.007 0.000 1.122 725 N HN 0.487 nan 8.380 nan 0.000 0.508 726 L N 1.001 122.231 121.223 0.011 0.000 2.490 726 L HA 0.053 4.401 4.340 0.013 0.000 0.274 726 L C 1.349 178.234 176.870 0.026 0.000 1.201 726 L CA 0.181 55.034 54.840 0.021 0.000 0.869 726 L CB 0.364 42.435 42.059 0.019 0.000 1.123 726 L HN 0.370 nan 8.230 nan 0.000 0.484 727 S N 2.186 117.907 115.700 0.035 0.000 2.505 727 S HA 0.260 4.738 4.470 0.013 0.000 0.276 727 S C 0.555 175.174 174.600 0.033 0.000 1.274 727 S CA -0.757 57.465 58.200 0.036 0.000 1.053 727 S CB 0.859 64.086 63.200 0.045 0.000 0.919 727 S HN 0.477 nan 8.310 nan 0.000 0.490 728 V N 2.129 122.060 119.914 0.027 0.000 3.346 728 V HA 0.352 4.479 4.120 0.013 0.000 0.309 728 V C 0.583 176.691 176.094 0.023 0.000 1.457 728 V CA 0.098 62.412 62.300 0.024 0.000 1.069 728 V CB -0.649 31.185 31.823 0.019 0.000 0.944 728 V HN 0.863 nan 8.190 nan 0.000 0.449 729 T N 0.054 114.623 114.554 0.026 0.000 2.856 729 T HA 0.673 5.031 4.350 0.013 0.000 0.292 729 T C -0.260 174.455 174.700 0.025 0.000 0.980 729 T CA -0.395 61.719 62.100 0.024 0.000 1.091 729 T CB 1.562 70.445 68.868 0.025 0.000 0.936 729 T HN 0.246 nan 8.240 nan 0.000 0.503 730 L N 5.122 126.357 121.223 0.020 0.000 2.410 730 L HA 0.310 4.658 4.340 0.013 0.000 0.273 730 L C -1.240 175.642 176.870 0.019 0.000 1.144 730 L CA -1.439 53.411 54.840 0.017 0.000 0.863 730 L CB -0.129 41.937 42.059 0.010 0.000 1.140 730 L HN 0.645 nan 8.230 nan 0.000 0.463 731 P HA 0.125 nan 4.420 nan 0.000 0.271 731 P C -0.659 176.649 177.300 0.013 0.000 1.233 731 P CA -0.637 62.479 63.100 0.026 0.000 0.789 731 P CB 0.487 32.208 31.700 0.034 0.000 0.951 732 A N 1.376 124.210 122.820 0.023 0.000 2.566 732 A HA 0.367 4.695 4.320 0.013 0.000 0.245 732 A C 0.847 178.394 177.584 -0.062 0.000 1.056 732 A CA 0.137 52.180 52.037 0.010 0.000 0.757 732 A CB -0.895 18.144 19.000 0.066 0.000 0.979 732 A HN 0.711 nan 8.150 nan 0.000 0.508 733 A N 3.665 126.425 122.820 -0.100 0.000 2.566 733 A HA 0.341 4.669 4.320 0.013 0.000 0.245 733 A C 1.035 178.364 177.584 -0.425 0.000 1.056 733 A CA 0.601 52.532 52.037 -0.176 0.000 0.757 733 A CB -0.260 18.674 19.000 -0.110 0.000 0.979 733 A HN 1.341 nan 8.150 nan 0.000 0.508 734 S N 1.967 117.467 115.700 -0.334 0.000 2.714 734 S HA 0.036 4.513 4.470 0.013 0.000 0.318 734 S C 1.196 175.585 174.600 -0.352 0.000 1.219 734 S CA 0.042 58.026 58.200 -0.360 0.000 1.175 734 S CB -0.407 62.722 63.200 -0.118 0.000 0.961 734 S HN 0.800 nan 8.310 nan 0.000 0.518 735 H N 3.441 122.528 119.070 0.028 0.000 2.267 735 H HA 0.128 4.691 4.556 0.013 0.000 0.297 735 H C 1.228 176.575 175.328 0.032 0.000 1.080 735 H CA 1.438 57.503 56.048 0.028 0.000 1.278 735 H CB -0.297 29.483 29.762 0.030 0.000 1.365 735 H HN 0.643 nan 8.280 nan 0.000 0.489 736 A N 0.375 123.299 122.820 0.174 0.000 2.624 736 A HA 0.633 4.961 4.320 0.013 0.000 0.267 736 A C -0.761 176.870 177.584 0.079 0.000 1.282 736 A CA -0.486 51.624 52.037 0.121 0.000 0.934 736 A CB 0.668 19.753 19.000 0.141 0.000 1.510 736 A HN 0.286 nan 8.150 nan 0.000 0.477 737 I N -0.356 120.266 120.570 0.088 0.000 2.534 737 I HA 0.534 4.712 4.170 0.013 0.000 0.286 737 I C -2.818 173.339 176.117 0.066 0.000 1.094 737 I CA -1.936 59.388 61.300 0.041 0.000 1.055 737 I CB 2.142 40.145 38.000 0.005 0.000 1.225 737 I HN 0.307 nan 8.210 nan 0.000 0.435 738 P HA 0.204 nan 4.420 nan 0.000 0.269 738 P C -1.253 176.061 177.300 0.024 0.000 1.215 738 P CA 0.083 63.237 63.100 0.091 0.000 0.780 738 P CB 0.335 32.053 31.700 0.029 0.000 0.898 739 H N 0.861 119.964 119.070 0.055 0.000 2.469 739 H HA 0.357 4.920 4.556 0.013 0.000 0.342 739 H C -0.585 174.773 175.328 0.050 0.000 1.115 739 H CA -0.757 55.315 56.048 0.040 0.000 1.204 739 H CB 1.819 31.607 29.762 0.042 0.000 1.492 739 H HN 0.258 nan 8.280 nan 0.000 0.499 740 L N 2.655 123.913 121.223 0.059 0.000 2.307 740 L HA 0.308 4.656 4.340 0.013 0.000 0.282 740 L C -0.329 176.613 176.870 0.120 0.000 1.051 740 L CA -0.031 54.853 54.840 0.074 0.000 0.804 740 L CB 1.507 43.551 42.059 -0.025 0.000 1.197 740 L HN 0.497 nan 8.230 nan 0.000 0.431 741 T N 3.343 117.989 114.554 0.153 0.000 2.824 741 T HA 0.564 4.921 4.350 0.013 0.000 0.282 741 T C -0.486 174.331 174.700 0.195 0.000 0.993 741 T CA -0.390 61.797 62.100 0.144 0.000 0.967 741 T CB 1.307 70.242 68.868 0.111 0.000 0.960 741 T HN 0.685 nan 8.240 nan 0.000 0.441 742 T N 2.667 117.328 114.554 0.178 0.000 2.885 742 T HA 0.777 5.134 4.350 0.013 0.000 0.285 742 T C -0.213 174.537 174.700 0.083 0.000 1.019 742 T CA -0.747 61.478 62.100 0.210 0.000 1.010 742 T CB 1.428 70.445 68.868 0.249 0.000 1.022 742 T HN 0.728 nan 8.240 nan 0.000 0.466 743 S N 0.597 116.299 115.700 0.004 0.000 2.651 743 S HA 0.444 4.922 4.470 0.013 0.000 0.279 743 S C 0.758 175.300 174.600 -0.097 0.000 1.148 743 S CA -0.879 57.304 58.200 -0.027 0.000 0.837 743 S CB 1.802 64.992 63.200 -0.017 0.000 1.138 743 S HN 0.735 nan 8.310 nan 0.000 0.478 744 E N -0.425 119.731 120.200 -0.073 0.000 2.204 744 E HA -0.154 4.203 4.350 0.013 0.000 0.195 744 E C 1.505 178.021 176.600 -0.141 0.000 0.990 744 E CA 1.211 57.552 56.400 -0.097 0.000 0.821 744 E CB -0.116 29.552 29.700 -0.054 0.000 0.750 744 E HN 0.638 nan 8.360 nan 0.000 0.477 745 M N 0.307 119.841 119.600 -0.110 0.000 2.435 745 M HA 0.104 4.592 4.480 0.013 0.000 0.265 745 M C -0.490 175.734 176.300 -0.126 0.000 1.104 745 M CA 0.849 56.092 55.300 -0.095 0.000 1.140 745 M CB 0.796 33.373 32.600 -0.038 0.000 1.372 745 M HN -0.172 nan 8.290 nan 0.000 0.456 746 D N -1.594 118.709 120.400 -0.161 0.000 2.609 746 D HA 0.258 4.905 4.640 0.013 0.000 0.239 746 D C -1.550 174.639 176.300 -0.186 0.000 1.229 746 D CA -0.353 53.568 54.000 -0.132 0.000 0.808 746 D CB 1.526 42.344 40.800 0.030 0.000 1.448 746 D HN -0.014 nan 8.370 nan 0.000 0.433 747 F N 0.996 121.029 119.950 0.139 0.000 2.426 747 F HA 0.357 4.892 4.527 0.013 0.000 0.348 747 F C 0.152 176.083 175.800 0.219 0.000 1.124 747 F CA -0.701 57.376 58.000 0.128 0.000 1.008 747 F CB 1.289 40.324 39.000 0.060 0.000 1.139 747 F HN 0.063 nan 8.300 nan 0.000 0.452 748 C N 5.218 124.737 119.300 0.366 0.000 2.382 748 C HA 0.693 5.161 4.460 0.013 0.000 0.327 748 C C -0.009 175.160 174.990 0.298 0.000 1.250 748 C CA -0.954 58.253 59.018 0.315 0.000 1.707 748 C CB 0.566 28.420 27.740 0.191 0.000 2.272 748 C HN 0.609 nan 8.230 nan 0.000 0.506 749 I N 2.491 123.286 120.570 0.375 0.000 2.465 749 I HA 0.468 4.645 4.170 0.013 0.000 0.291 749 I C -0.225 176.166 176.117 0.457 0.000 1.014 749 I CA -0.199 61.308 61.300 0.346 0.000 1.093 749 I CB 1.583 39.762 38.000 0.298 0.000 1.267 749 I HN 0.643 nan 8.210 nan 0.000 0.431 750 E N 6.057 126.461 120.200 0.340 0.000 2.238 750 E HA 0.683 5.041 4.350 0.013 0.000 0.267 750 E C -1.830 174.964 176.600 0.323 0.000 0.887 750 E CA -0.875 55.703 56.400 0.296 0.000 0.769 750 E CB 2.878 32.659 29.700 0.136 0.000 1.187 750 E HN 0.489 nan 8.360 nan 0.000 0.416 751 L N 4.657 126.075 121.223 0.326 0.000 2.611 751 L HA 0.480 4.828 4.340 0.013 0.000 0.263 751 L C 0.122 177.095 176.870 0.171 0.000 0.969 751 L CA 0.614 55.623 54.840 0.282 0.000 0.894 751 L CB 1.232 43.511 42.059 0.366 0.000 1.229 751 L HN 0.804 nan 8.230 nan 0.000 0.416 752 G N 4.428 113.287 108.800 0.099 0.000 2.622 752 G HA2 -0.433 3.535 3.960 0.013 0.000 0.307 752 G HA3 -0.433 3.535 3.960 0.013 0.000 0.307 752 G C 0.454 175.360 174.900 0.010 0.000 1.226 752 G CA 0.683 45.810 45.100 0.044 0.000 0.997 752 G HN 1.338 nan 8.290 nan 0.000 0.551 753 N N 1.379 120.072 118.700 -0.011 0.000 2.295 753 N HA 0.185 4.933 4.740 0.013 0.000 0.221 753 N C 0.196 175.662 175.510 -0.075 0.000 1.129 753 N CA 0.499 53.523 53.050 -0.043 0.000 0.836 753 N CB 0.286 38.746 38.487 -0.045 0.000 1.040 753 N HN 0.716 nan 8.380 nan 0.000 0.494 754 K N 0.592 120.943 120.400 -0.082 0.000 2.207 754 K HA 0.502 4.829 4.320 0.013 0.000 0.255 754 K C -0.307 176.130 176.600 -0.272 0.000 0.941 754 K CA -0.661 55.469 56.287 -0.261 0.000 0.825 754 K CB 1.828 34.110 32.500 -0.362 0.000 1.119 754 K HN 0.138 nan 8.250 nan 0.000 0.430 755 R N 1.918 122.185 120.500 -0.390 0.000 2.673 755 R HA 0.448 4.795 4.340 0.013 0.000 0.281 755 R C -1.132 175.075 176.300 -0.155 0.000 0.991 755 R CA -0.986 55.055 56.100 -0.099 0.000 0.896 755 R CB 1.810 32.085 30.300 -0.041 0.000 1.201 755 R HN 0.525 nan 8.270 nan 0.000 0.457 756 W N 1.871 123.301 121.300 0.216 0.000 2.739 756 W HA 0.346 5.013 4.660 0.013 0.000 0.331 756 W C -0.494 176.121 176.519 0.159 0.000 1.049 756 W CA -0.602 56.801 57.345 0.097 0.000 1.234 756 W CB 2.511 32.006 29.460 0.059 0.000 1.404 756 W HN 0.475 nan 8.180 nan 0.000 0.477 757 Q N 2.578 122.510 119.800 0.219 0.000 2.330 757 Q HA 0.451 4.798 4.340 0.013 0.000 0.269 757 Q C -1.845 174.122 176.000 -0.056 0.000 1.022 757 Q CA -0.494 55.439 55.803 0.217 0.000 0.796 757 Q CB 1.404 30.346 28.738 0.340 0.000 1.271 757 Q HN 0.344 nan 8.270 nan 0.000 0.450 758 F N 2.800 122.841 119.950 0.152 0.000 2.426 758 F HA 0.317 4.851 4.527 0.013 0.000 0.348 758 F C 0.528 176.359 175.800 0.051 0.000 1.124 758 F CA -0.884 57.169 58.000 0.089 0.000 1.008 758 F CB 1.262 40.315 39.000 0.089 0.000 1.139 758 F HN 0.483 nan 8.300 nan 0.000 0.452 759 N N 3.619 122.430 118.700 0.185 0.000 2.442 759 N HA 0.089 4.837 4.740 0.013 0.000 0.265 759 N C 0.826 176.353 175.510 0.028 0.000 1.138 759 N CA 0.029 53.133 53.050 0.089 0.000 0.956 759 N CB 0.736 39.283 38.487 0.100 0.000 1.067 759 N HN 0.697 nan 8.380 nan 0.000 0.474 760 R N 2.175 122.623 120.500 -0.087 0.000 2.275 760 R HA -0.038 4.309 4.340 0.013 0.000 0.199 760 R C 1.641 177.883 176.300 -0.097 0.000 0.989 760 R CA 0.558 56.564 56.100 -0.156 0.000 1.016 760 R CB 0.231 30.322 30.300 -0.347 0.000 0.918 760 R HN 0.678 nan 8.270 nan 0.000 0.473 761 Q N 0.305 120.074 119.800 -0.052 0.000 2.204 761 Q HA -0.056 4.292 4.340 0.013 0.000 0.198 761 Q C 1.717 177.706 176.000 -0.019 0.000 0.946 761 Q CA 1.442 57.224 55.803 -0.035 0.000 0.859 761 Q CB 0.348 29.080 28.738 -0.009 0.000 0.946 761 Q HN 0.303 nan 8.270 nan 0.000 0.474 762 S N -1.801 113.910 115.700 0.018 0.000 2.470 762 S HA 0.193 4.671 4.470 0.013 0.000 0.222 762 S C 1.380 175.903 174.600 -0.129 0.000 1.024 762 S CA 0.623 58.851 58.200 0.046 0.000 0.931 762 S CB 0.502 63.835 63.200 0.222 0.000 0.791 762 S HN 0.580 nan 8.310 nan 0.000 0.513 763 G N 0.580 109.317 108.800 -0.105 0.000 2.143 763 G HA2 -0.223 3.744 3.960 0.013 0.000 0.248 763 G HA3 -0.223 3.744 3.960 0.013 0.000 0.248 763 G C -0.132 174.687 174.900 -0.134 0.000 0.991 763 G CA 0.290 45.309 45.100 -0.136 0.000 0.689 763 G HN 0.540 nan 8.290 nan 0.000 0.522 764 F N -1.359 118.772 119.950 0.301 0.000 2.556 764 F HA 0.650 5.185 4.527 0.013 0.000 0.327 764 F C 0.513 176.360 175.800 0.078 0.000 1.059 764 F CA -1.501 56.640 58.000 0.234 0.000 0.953 764 F CB 1.490 40.584 39.000 0.158 0.000 1.227 764 F HN 0.015 nan 8.300 nan 0.000 0.478 765 L N 2.151 123.436 121.223 0.103 0.000 2.565 765 L HA 0.132 4.479 4.340 0.013 0.000 0.275 765 L C 0.985 177.758 176.870 -0.161 0.000 1.137 765 L CA 0.514 55.071 54.840 -0.471 0.000 0.915 765 L CB 0.305 42.044 42.059 -0.534 0.000 1.232 765 L HN 0.713 nan 8.230 nan 0.000 0.473 766 S N 2.477 118.085 115.700 -0.153 0.000 2.503 766 S HA 0.275 4.752 4.470 0.013 0.000 0.215 766 S C 0.547 175.034 174.600 -0.188 0.000 1.003 766 S CA -0.103 58.048 58.200 -0.081 0.000 0.910 766 S CB 0.129 63.333 63.200 0.008 0.000 0.790 766 S HN 0.689 nan 8.310 nan 0.000 0.514 767 Q N -0.212 119.414 119.800 -0.289 0.000 2.578 767 Q HA 0.657 5.005 4.340 0.013 0.000 0.284 767 Q C -2.071 173.579 176.000 -0.583 0.000 0.960 767 Q CA -0.285 55.207 55.803 -0.519 0.000 0.809 767 Q CB 1.591 29.889 28.738 -0.734 0.000 1.462 767 Q HN 0.424 nan 8.270 nan 0.000 0.392 768 M N 1.398 120.536 119.600 -0.770 0.000 2.421 768 M HA 0.581 5.069 4.480 0.013 0.000 0.287 768 M C -1.507 174.400 176.300 -0.656 0.000 1.183 768 M CA -0.418 54.518 55.300 -0.607 0.000 0.916 768 M CB 2.277 34.504 32.600 -0.622 0.000 1.701 768 M HN 0.489 nan 8.290 nan 0.000 0.470 769 W N 3.050 124.128 121.300 -0.370 0.000 2.819 769 W HA 0.557 5.225 4.660 0.013 0.000 0.337 769 W C -1.300 175.034 176.519 -0.308 0.000 1.077 769 W CA -0.812 56.374 57.345 -0.264 0.000 1.226 769 W CB 1.932 31.274 29.460 -0.196 0.000 1.419 769 W HN 0.331 nan 8.180 nan 0.000 0.502 770 I N 2.742 123.310 120.570 -0.004 0.000 2.354 770 I HA 0.399 4.576 4.170 0.013 0.000 0.286 770 I C 0.926 177.036 176.117 -0.012 0.000 1.007 770 I CA -0.057 61.199 61.300 -0.075 0.000 1.167 770 I CB 0.296 38.232 38.000 -0.106 0.000 1.320 770 I HN 0.758 nan 8.210 nan 0.000 0.458 771 G N 6.885 115.671 108.800 -0.024 0.000 2.550 771 G HA2 -0.320 3.647 3.960 0.013 0.000 0.277 771 G HA3 -0.320 3.647 3.960 0.013 0.000 0.277 771 G C 0.278 175.193 174.900 0.026 0.000 1.190 771 G CA 0.589 45.679 45.100 -0.017 0.000 0.971 771 G HN 0.588 nan 8.290 nan 0.000 0.559 772 D N 0.702 121.122 120.400 0.033 0.000 2.340 772 D HA 0.347 4.994 4.640 0.013 0.000 0.220 772 D C 0.918 177.337 176.300 0.198 0.000 1.039 772 D CA 0.801 54.847 54.000 0.078 0.000 0.866 772 D CB 0.339 41.155 40.800 0.025 0.000 0.913 772 D HN 0.468 nan 8.370 nan 0.000 0.523 773 K N 1.877 122.362 120.400 0.142 0.000 2.262 773 K HA 0.173 4.501 4.320 0.013 0.000 0.282 773 K C -0.524 176.071 176.600 -0.009 0.000 1.066 773 K CA -0.561 55.769 56.287 0.071 0.000 0.901 773 K CB 0.547 33.045 32.500 -0.004 0.000 1.089 773 K HN -0.205 nan 8.250 nan 0.000 0.476 774 K N 3.149 123.478 120.400 -0.118 0.000 2.401 774 K HA 0.020 4.348 4.320 0.013 0.000 0.278 774 K C 0.556 176.976 176.600 -0.300 0.000 1.018 774 K CA -0.043 55.980 56.287 -0.440 0.000 0.981 774 K CB 0.695 32.964 32.500 -0.385 0.000 0.933 774 K HN 0.576 nan 8.250 nan 0.000 0.477 775 Q N 1.521 121.106 119.800 -0.358 0.000 2.317 775 Q HA 0.185 4.533 4.340 0.013 0.000 0.220 775 Q C -0.098 175.837 176.000 -0.110 0.000 0.873 775 Q CA 0.394 56.113 55.803 -0.140 0.000 0.936 775 Q CB 0.581 29.281 28.738 -0.063 0.000 1.105 775 Q HN 0.497 nan 8.270 nan 0.000 0.520 776 L N 0.932 122.019 121.223 -0.227 0.000 2.346 776 L HA 0.393 4.741 4.340 0.013 0.000 0.276 776 L C 0.952 177.697 176.870 -0.210 0.000 1.006 776 L CA -0.351 54.373 54.840 -0.194 0.000 0.817 776 L CB 1.660 43.596 42.059 -0.206 0.000 1.272 776 L HN -0.091 nan 8.230 nan 0.000 0.421 777 L N 0.601 121.694 121.223 -0.216 0.000 2.463 777 L HA 0.220 4.567 4.340 0.013 0.000 0.219 777 L C 0.238 176.996 176.870 -0.187 0.000 1.088 777 L CA 0.711 55.430 54.840 -0.202 0.000 0.849 777 L CB 0.225 42.154 42.059 -0.217 0.000 1.012 777 L HN 0.611 nan 8.230 nan 0.000 0.468 778 T N -0.115 114.300 114.554 -0.230 0.000 2.912 778 T HA 0.403 4.760 4.350 0.013 0.000 0.299 778 T C -2.560 172.066 174.700 -0.123 0.000 1.052 778 T CA -1.136 60.874 62.100 -0.151 0.000 0.996 778 T CB 2.553 71.306 68.868 -0.193 0.000 1.070 778 T HN -0.273 nan 8.240 nan 0.000 0.465 779 P HA 0.166 nan 4.420 nan 0.000 0.269 779 P C -0.644 176.622 177.300 -0.057 0.000 1.217 779 P CA -0.714 62.358 63.100 -0.046 0.000 0.783 779 P CB 0.412 32.122 31.700 0.017 0.000 0.898 780 L N 3.352 124.577 121.223 0.002 0.000 2.325 780 L HA 0.248 4.595 4.340 0.013 0.000 0.284 780 L C 0.090 176.909 176.870 -0.086 0.000 1.089 780 L CA 0.668 55.539 54.840 0.053 0.000 0.836 780 L CB -0.629 41.565 42.059 0.224 0.000 1.184 780 L HN 0.278 nan 8.230 nan 0.000 0.444 781 R N 2.924 123.261 120.500 -0.273 0.000 2.837 781 R HA 0.443 4.791 4.340 0.013 0.000 0.271 781 R C -0.926 175.191 176.300 -0.305 0.000 0.993 781 R CA -1.062 54.640 56.100 -0.663 0.000 0.931 781 R CB 1.326 31.140 30.300 -0.811 0.000 1.206 781 R HN 0.566 nan 8.270 nan 0.000 0.474 782 D N 1.156 121.445 120.400 -0.185 0.000 2.400 782 D HA 0.032 4.679 4.640 0.013 0.000 0.238 782 D C -0.404 175.508 176.300 -0.647 0.000 1.157 782 D CA 0.505 54.281 54.000 -0.374 0.000 0.889 782 D CB 0.668 41.215 40.800 -0.423 0.000 1.199 782 D HN 0.193 nan 8.370 nan 0.000 0.436 783 Q N 1.056 120.285 119.800 -0.952 0.000 2.285 783 Q HA 0.329 4.677 4.340 0.013 0.000 0.269 783 Q C -1.173 174.100 176.000 -1.212 0.000 1.030 783 Q CA -0.567 54.730 55.803 -0.844 0.000 0.788 783 Q CB 0.830 29.283 28.738 -0.475 0.000 1.266 783 Q HN 0.553 nan 8.270 nan 0.000 0.438 784 F N 0.503 120.059 119.950 -0.656 0.000 2.706 784 F HA 0.187 4.721 4.527 0.012 0.000 0.313 784 F C 0.759 176.122 175.800 -0.727 0.000 1.096 784 F CA -0.164 57.338 58.000 -0.829 0.000 1.219 784 F CB 1.427 39.608 39.000 -1.364 0.000 1.051 784 F HN 0.431 nan 8.300 nan 0.000 0.568 785 T N -0.639 113.609 114.554 -0.510 0.000 2.926 785 T HA 0.756 5.114 4.350 0.013 0.000 0.289 785 T C -0.525 173.925 174.700 -0.416 0.000 1.054 785 T CA -0.984 60.745 62.100 -0.618 0.000 1.015 785 T CB 2.613 71.035 68.868 -0.743 0.000 1.167 785 T HN 0.234 nan 8.240 nan 0.000 0.526 786 R N -0.165 120.139 120.500 -0.325 0.000 2.771 786 R HA 0.760 5.108 4.340 0.013 0.000 0.274 786 R C -0.808 175.544 176.300 0.088 0.000 0.987 786 R CA -1.214 54.819 56.100 -0.112 0.000 0.908 786 R CB 1.553 31.791 30.300 -0.103 0.000 1.213 786 R HN 0.814 nan 8.270 nan 0.000 0.468 787 A N 3.657 126.510 122.820 0.055 0.000 2.515 787 A HA 0.278 4.605 4.320 0.013 0.000 0.263 787 A C -2.005 175.631 177.584 0.087 0.000 1.096 787 A CA -1.264 50.799 52.037 0.043 0.000 0.769 787 A CB -0.493 18.478 19.000 -0.049 0.000 1.040 787 A HN 0.548 nan 8.150 nan 0.000 0.505 788 P HA 0.108 nan 4.420 nan 0.000 0.264 788 P C -0.165 177.232 177.300 0.163 0.000 1.193 788 P CA 0.363 63.605 63.100 0.237 0.000 0.763 788 P CB 0.367 32.240 31.700 0.290 0.000 0.810 789 L N 2.531 123.820 121.223 0.110 0.000 2.475 789 L HA 0.133 4.481 4.340 0.013 0.000 0.253 789 L C 1.838 178.720 176.870 0.020 0.000 1.198 789 L CA -0.368 54.473 54.840 0.003 0.000 0.814 789 L CB -0.027 41.965 42.059 -0.112 0.000 1.134 789 L HN 0.307 nan 8.230 nan 0.000 0.478 790 D N 0.333 120.688 120.400 -0.075 0.000 2.149 790 D HA -0.160 4.488 4.640 0.013 0.000 0.198 790 D C 1.595 177.810 176.300 -0.142 0.000 0.990 790 D CA 1.363 55.243 54.000 -0.201 0.000 0.839 790 D CB 0.035 40.628 40.800 -0.346 0.000 0.948 790 D HN 0.464 nan 8.370 nan 0.000 0.460 791 N N 0.917 119.551 118.700 -0.111 0.000 2.396 791 N HA -0.097 4.650 4.740 0.013 0.000 0.180 791 N C 1.100 176.614 175.510 0.008 0.000 1.028 791 N CA 0.630 53.643 53.050 -0.062 0.000 0.893 791 N CB -0.075 38.366 38.487 -0.076 0.000 0.967 791 N HN 0.249 nan 8.380 nan 0.000 0.440 792 D N 0.292 120.713 120.400 0.036 0.000 2.234 792 D HA 0.064 4.712 4.640 0.013 0.000 0.205 792 D C 1.921 178.261 176.300 0.067 0.000 0.962 792 D CA 0.380 54.437 54.000 0.096 0.000 0.855 792 D CB 0.253 41.181 40.800 0.214 0.000 0.951 792 D HN 0.320 nan 8.370 nan 0.000 0.500 793 I N 0.097 120.690 120.570 0.038 0.000 2.585 793 I HA 0.082 4.260 4.170 0.013 0.000 0.254 793 I C 1.766 177.896 176.117 0.021 0.000 1.129 793 I CA 0.517 61.827 61.300 0.018 0.000 1.455 793 I CB -0.217 37.767 38.000 -0.026 0.000 1.111 793 I HN 0.032 nan 8.210 nan 0.000 0.433 794 G N 1.523 110.346 108.800 0.039 0.000 2.574 794 G HA2 -0.345 3.623 3.960 0.013 0.000 0.286 794 G HA3 -0.345 3.623 3.960 0.013 0.000 0.286 794 G C 0.705 175.768 174.900 0.272 0.000 1.212 794 G CA 0.791 45.983 45.100 0.155 0.000 0.979 794 G HN 0.482 nan 8.290 nan 0.000 0.557 795 V N -1.856 118.175 119.914 0.195 0.000 3.649 795 V HA 0.573 4.700 4.120 0.013 0.000 0.275 795 V C 1.381 177.499 176.094 0.041 0.000 1.281 795 V CA 1.281 63.649 62.300 0.113 0.000 1.143 795 V CB -0.014 31.757 31.823 -0.086 0.000 0.892 795 V HN 1.287 nan 8.190 nan 0.000 0.441 796 S N 1.081 116.800 115.700 0.031 0.000 2.552 796 S HA 0.234 4.711 4.470 0.013 0.000 0.289 796 S C -0.095 174.508 174.600 0.006 0.000 1.304 796 S CA 0.253 58.454 58.200 0.001 0.000 1.063 796 S CB 0.241 63.437 63.200 -0.008 0.000 0.848 796 S HN 0.828 nan 8.310 nan 0.000 0.499 797 E N 1.384 121.582 120.200 -0.002 0.000 2.383 797 E HA 0.595 4.953 4.350 0.013 0.000 0.275 797 E C 0.439 177.041 176.600 0.004 0.000 0.918 797 E CA -0.383 56.020 56.400 0.004 0.000 0.764 797 E CB 1.476 31.176 29.700 0.000 0.000 1.252 797 E HN 0.594 nan 8.360 nan 0.000 0.449 798 A N 0.877 123.705 122.820 0.014 0.000 1.940 798 A HA -0.184 4.143 4.320 0.013 0.000 0.219 798 A C 2.016 179.605 177.584 0.008 0.000 1.176 798 A CA 2.392 54.437 52.037 0.014 0.000 0.631 798 A CB -0.925 18.088 19.000 0.022 0.000 0.814 798 A HN 0.674 nan 8.150 nan 0.000 0.446 799 T N -3.106 111.452 114.554 0.008 0.000 3.035 799 T HA -0.007 4.351 4.350 0.013 0.000 0.268 799 T C 0.901 175.595 174.700 -0.010 0.000 1.109 799 T CA 1.268 63.368 62.100 0.002 0.000 1.119 799 T CB -0.144 68.726 68.868 0.005 0.000 0.900 799 T HN 0.409 nan 8.240 nan 0.000 0.503 800 R N 0.575 121.066 120.500 -0.014 0.000 3.021 800 R HA 0.287 4.634 4.340 0.013 0.000 0.206 800 R C -1.265 175.018 176.300 -0.028 0.000 1.593 800 R CA -0.558 55.526 56.100 -0.026 0.000 1.243 800 R CB -0.039 30.237 30.300 -0.040 0.000 1.573 800 R HN 0.192 nan 8.270 nan 0.000 0.640 801 I N 1.626 122.183 120.570 -0.023 0.000 2.710 801 I HA -0.030 4.148 4.170 0.013 0.000 0.286 801 I C 0.489 176.584 176.117 -0.037 0.000 1.181 801 I CA 0.451 61.736 61.300 -0.025 0.000 1.430 801 I CB 0.510 38.498 38.000 -0.019 0.000 1.367 801 I HN 0.478 nan 8.210 nan 0.000 0.577 802 D N 9.222 129.597 120.400 -0.042 0.000 2.443 802 D HA 0.265 4.912 4.640 0.013 0.000 0.221 802 D C -1.675 174.580 176.300 -0.076 0.000 1.097 802 D CA -2.190 51.776 54.000 -0.057 0.000 0.865 802 D CB 1.484 42.253 40.800 -0.051 0.000 1.034 802 D HN 0.221 nan 8.370 nan 0.000 0.511 803 P HA -0.082 nan 4.420 nan 0.000 0.234 803 P C 0.791 177.998 177.300 -0.155 0.000 1.167 803 P CA 0.514 63.553 63.100 -0.102 0.000 0.763 803 P CB 0.290 31.939 31.700 -0.084 0.000 0.835 804 N N -0.108 118.495 118.700 -0.161 0.000 2.424 804 N HA 0.017 4.765 4.740 0.013 0.000 0.178 804 N C 0.426 175.749 175.510 -0.312 0.000 1.060 804 N CA -0.126 52.787 53.050 -0.228 0.000 0.901 804 N CB 0.096 38.480 38.487 -0.173 0.000 0.979 804 N HN -0.041 nan 8.380 nan 0.000 0.451 805 A N 0.406 123.088 122.820 -0.229 0.000 2.483 805 A HA 0.015 4.342 4.320 0.013 0.000 0.238 805 A C 0.612 177.987 177.584 -0.348 0.000 1.070 805 A CA -0.357 51.544 52.037 -0.226 0.000 0.770 805 A CB -0.164 18.775 19.000 -0.101 0.000 1.008 805 A HN 0.463 nan 8.150 nan 0.000 0.497 806 W N 1.673 122.724 121.300 -0.415 0.000 2.318 806 W HA -0.201 4.466 4.660 0.012 0.000 0.313 806 W C 2.240 178.177 176.519 -0.970 0.000 1.221 806 W CA 1.798 58.635 57.345 -0.847 0.000 1.266 806 W CB -0.402 28.441 29.460 -1.029 0.000 1.150 806 W HN 0.558 nan 8.180 nan 0.000 0.496 807 V N 0.886 120.665 119.914 -0.225 0.000 2.332 807 V HA -0.285 3.842 4.120 0.013 0.000 0.248 807 V C 2.169 178.330 176.094 0.111 0.000 1.055 807 V CA 2.189 64.557 62.300 0.114 0.000 1.038 807 V CB -0.373 31.564 31.823 0.190 0.000 0.651 807 V HN 0.111 nan 8.190 nan 0.000 0.450 808 E N -0.167 120.011 120.200 -0.036 0.000 2.107 808 E HA -0.167 4.191 4.350 0.013 0.000 0.191 808 E C 2.334 178.896 176.600 -0.064 0.000 0.982 808 E CA 1.028 57.409 56.400 -0.031 0.000 0.809 808 E CB -0.314 29.345 29.700 -0.069 0.000 0.756 808 E HN 0.624 nan 8.360 nan 0.000 0.459 809 R N -0.056 120.328 120.500 -0.193 0.000 2.073 809 R HA -0.124 4.223 4.340 0.013 0.000 0.234 809 R C 2.319 178.544 176.300 -0.126 0.000 1.134 809 R CA 1.409 57.370 56.100 -0.231 0.000 0.952 809 R CB -0.226 29.813 30.300 -0.434 0.000 0.850 809 R HN 0.249 nan 8.270 nan 0.000 0.433 810 W N 1.462 122.730 121.300 -0.053 0.000 2.358 810 W HA -0.087 4.580 4.660 0.013 0.000 0.303 810 W C 1.971 178.442 176.519 -0.079 0.000 1.208 810 W CA 0.738 57.944 57.345 -0.233 0.000 1.274 810 W CB -0.626 28.838 29.460 0.006 0.000 1.138 810 W HN 0.117 nan 8.180 nan 0.000 0.515 811 K N 0.103 120.710 120.400 0.345 0.000 2.026 811 K HA -0.084 4.244 4.320 0.013 0.000 0.208 811 K C 2.299 178.950 176.600 0.085 0.000 1.048 811 K CA 1.797 58.243 56.287 0.265 0.000 0.929 811 K CB -0.626 31.980 32.500 0.176 0.000 0.713 811 K HN -0.030 nan 8.250 nan 0.000 0.439 812 A N 1.093 123.933 122.820 0.034 0.000 2.019 812 A HA -0.091 4.237 4.320 0.013 0.000 0.219 812 A C 2.180 179.749 177.584 -0.026 0.000 1.164 812 A CA 1.793 53.832 52.037 0.004 0.000 0.644 812 A CB -0.545 18.447 19.000 -0.014 0.000 0.805 812 A HN 0.342 nan 8.150 nan 0.000 0.449 813 A N -1.932 120.849 122.820 -0.066 0.000 2.208 813 A HA 0.407 4.735 4.320 0.013 0.000 0.209 813 A C 1.788 179.302 177.584 -0.117 0.000 1.161 813 A CA 1.204 53.210 52.037 -0.051 0.000 0.782 813 A CB -0.821 18.124 19.000 -0.093 0.000 0.816 813 A HN 1.867 nan 8.150 nan 0.000 0.477 814 G N -1.444 107.177 108.800 -0.298 0.000 2.136 814 G HA2 -0.299 3.669 3.960 0.013 0.000 0.242 814 G HA3 -0.299 3.669 3.960 0.013 0.000 0.242 814 G C 0.552 175.439 174.900 -0.021 0.000 0.989 814 G CA 0.657 45.359 45.100 -0.662 0.000 0.682 814 G HN 0.755 nan 8.290 nan 0.000 0.522 815 H N -1.627 117.425 119.070 -0.030 0.000 2.421 815 H HA -0.051 4.513 4.556 0.013 0.000 0.298 815 H C 2.208 177.513 175.328 -0.038 0.000 1.087 815 H CA 1.495 57.538 56.048 -0.008 0.000 1.330 815 H CB 0.109 29.805 29.762 -0.109 0.000 1.388 815 H HN 0.597 nan 8.280 nan 0.000 0.526 816 Y N 0.533 120.960 120.300 0.213 0.000 2.457 816 Y HA -0.075 4.482 4.550 0.012 0.000 0.292 816 Y C 2.123 178.115 175.900 0.152 0.000 1.125 816 Y CA 0.697 58.886 58.100 0.148 0.000 1.254 816 Y CB 0.346 38.874 38.460 0.113 0.000 1.012 816 Y HN 0.156 nan 8.280 nan 0.000 0.555 817 Q N -0.296 119.677 119.800 0.288 0.000 2.282 817 Q HA 0.286 4.634 4.340 0.013 0.000 0.206 817 Q C 0.575 176.772 176.000 0.328 0.000 0.878 817 Q CA -0.202 55.767 55.803 0.277 0.000 0.944 817 Q CB 0.520 29.419 28.738 0.268 0.000 1.100 817 Q HN 0.279 nan 8.270 nan 0.000 0.509 818 A N 1.610 124.647 122.820 0.362 0.000 2.531 818 A HA 0.010 4.338 4.320 0.013 0.000 0.236 818 A C -0.069 177.807 177.584 0.487 0.000 1.062 818 A CA 0.373 52.683 52.037 0.456 0.000 0.760 818 A CB 0.263 19.580 19.000 0.527 0.000 0.995 818 A HN 0.146 nan 8.150 nan 0.000 0.501 819 E N 0.944 121.345 120.200 0.336 0.000 2.179 819 E HA 0.435 4.793 4.350 0.013 0.000 0.275 819 E C -0.346 176.201 176.600 -0.089 0.000 0.945 819 E CA -0.555 55.957 56.400 0.186 0.000 0.792 819 E CB 1.888 31.668 29.700 0.133 0.000 1.125 819 E HN 0.719 nan 8.360 nan 0.000 0.397 820 A N 2.704 125.352 122.820 -0.285 0.000 2.785 820 A HA 0.353 4.681 4.320 0.013 0.000 0.294 820 A C 0.393 177.810 177.584 -0.278 0.000 1.597 820 A CA -0.157 51.458 52.037 -0.704 0.000 1.283 820 A CB -0.531 18.217 19.000 -0.419 0.000 1.088 820 A HN 0.564 nan 8.150 nan 0.000 0.568 821 A N 2.486 125.155 122.820 -0.251 0.000 2.454 821 A HA 0.456 4.783 4.320 0.013 0.000 0.260 821 A C 0.134 177.637 177.584 -0.134 0.000 1.106 821 A CA -0.345 51.618 52.037 -0.123 0.000 0.780 821 A CB -0.038 18.914 19.000 -0.080 0.000 1.044 821 A HN 1.147 nan 8.150 nan 0.000 0.498 822 L N 3.370 124.509 121.223 -0.140 0.000 2.361 822 L HA 0.300 4.647 4.340 0.013 0.000 0.278 822 L C 0.533 177.277 176.870 -0.210 0.000 1.113 822 L CA 0.418 55.093 54.840 -0.275 0.000 0.849 822 L CB 0.289 42.203 42.059 -0.243 0.000 1.155 822 L HN 0.737 nan 8.230 nan 0.000 0.452 823 L N 3.658 124.740 121.223 -0.235 0.000 2.575 823 L HA 0.344 4.691 4.340 0.013 0.000 0.228 823 L C 0.352 177.155 176.870 -0.111 0.000 1.075 823 L CA -0.005 54.761 54.840 -0.124 0.000 0.867 823 L CB 0.079 42.098 42.059 -0.067 0.000 1.097 823 L HN 0.734 nan 8.230 nan 0.000 0.485 824 Q N -0.180 119.524 119.800 -0.160 0.000 2.468 824 Q HA 0.271 4.618 4.340 0.013 0.000 0.263 824 Q C -2.128 173.813 176.000 -0.097 0.000 0.979 824 Q CA -0.477 55.271 55.803 -0.091 0.000 0.932 824 Q CB 2.793 31.504 28.738 -0.044 0.000 1.462 824 Q HN 0.045 nan 8.270 nan 0.000 0.403 825 C N 3.496 122.783 119.300 -0.022 0.000 2.892 825 C HA 0.754 5.221 4.460 0.013 0.000 0.360 825 C C -0.758 174.343 174.990 0.185 0.000 1.054 825 C CA 0.465 59.516 59.018 0.054 0.000 1.326 825 C CB 0.467 28.224 27.740 0.028 0.000 1.806 825 C HN 0.808 nan 8.230 nan 0.000 0.490 826 T N 2.340 116.952 114.554 0.097 0.000 2.916 826 T HA 0.910 5.268 4.350 0.013 0.000 0.292 826 T C -0.468 174.027 174.700 -0.342 0.000 1.055 826 T CA -0.335 61.767 62.100 0.004 0.000 1.009 826 T CB 1.974 70.818 68.868 -0.039 0.000 1.118 826 T HN 1.563 nan 8.240 nan 0.000 0.497 827 A N 1.408 123.828 122.820 -0.667 0.000 2.371 827 A HA 0.750 5.078 4.320 0.013 0.000 0.311 827 A C -1.218 176.102 177.584 -0.441 0.000 1.068 827 A CA -0.746 50.799 52.037 -0.821 0.000 0.744 827 A CB 1.290 19.375 19.000 -1.524 0.000 1.239 827 A HN 0.865 nan 8.150 nan 0.000 0.435 828 D N 1.015 121.218 120.400 -0.327 0.000 2.738 828 D HA 0.484 5.131 4.640 0.013 0.000 0.237 828 D C -0.859 175.330 176.300 -0.184 0.000 1.123 828 D CA 0.054 53.929 54.000 -0.207 0.000 0.856 828 D CB 2.359 43.069 40.800 -0.150 0.000 1.552 828 D HN 0.424 nan 8.370 nan 0.000 0.480 829 T N 1.996 116.462 114.554 -0.146 0.000 2.837 829 T HA 0.520 4.877 4.350 0.013 0.000 0.285 829 T C 0.574 175.210 174.700 -0.107 0.000 0.984 829 T CA -0.430 61.589 62.100 -0.134 0.000 1.049 829 T CB 0.923 69.710 68.868 -0.134 0.000 0.947 829 T HN 0.118 nan 8.240 nan 0.000 0.472 830 L N 1.229 122.391 121.223 -0.102 0.000 2.341 830 L HA 0.653 5.001 4.340 0.013 0.000 0.267 830 L C 1.975 178.802 176.870 -0.073 0.000 1.022 830 L CA -1.327 53.466 54.840 -0.079 0.000 0.844 830 L CB 0.259 42.277 42.059 -0.069 0.000 1.436 830 L HN 0.682 nan 8.230 nan 0.000 0.483 831 A N 0.439 123.225 122.820 -0.056 0.000 1.908 831 A HA -0.166 4.162 4.320 0.013 0.000 0.218 831 A C 1.070 178.625 177.584 -0.048 0.000 1.181 831 A CA 2.147 54.155 52.037 -0.048 0.000 0.627 831 A CB -0.511 18.467 19.000 -0.037 0.000 0.818 831 A HN 0.903 nan 8.150 nan 0.000 0.445 832 D N -2.653 117.718 120.400 -0.048 0.000 2.620 832 D HA 0.561 5.209 4.640 0.013 0.000 0.260 832 D C -0.105 176.165 176.300 -0.049 0.000 1.367 832 D CA 0.622 54.596 54.000 -0.042 0.000 0.805 832 D CB -0.270 40.509 40.800 -0.035 0.000 1.096 832 D HN 0.502 nan 8.370 nan 0.000 0.488 833 A N -0.661 122.117 122.820 -0.069 0.000 2.564 833 A HA 0.634 4.961 4.320 0.013 0.000 0.291 833 A C -1.746 175.771 177.584 -0.112 0.000 1.102 833 A CA -0.702 51.283 52.037 -0.086 0.000 0.660 833 A CB 1.443 20.396 19.000 -0.079 0.000 1.283 833 A HN 0.024 nan 8.150 nan 0.000 0.430 834 V N 0.648 120.480 119.914 -0.138 0.000 2.459 834 V HA 0.623 4.751 4.120 0.013 0.000 0.295 834 V C -0.954 175.032 176.094 -0.181 0.000 1.029 834 V CA -0.417 61.783 62.300 -0.167 0.000 0.874 834 V CB 1.292 33.013 31.823 -0.170 0.000 0.985 834 V HN 0.814 nan 8.190 nan 0.000 0.438 835 L N 6.543 127.651 121.223 -0.192 0.000 2.325 835 L HA 0.634 4.981 4.340 0.013 0.000 0.281 835 L C -0.767 175.951 176.870 -0.253 0.000 1.004 835 L CA -0.014 54.721 54.840 -0.174 0.000 0.823 835 L CB 1.288 43.272 42.059 -0.125 0.000 1.236 835 L HN 0.419 nan 8.230 nan 0.000 0.415 836 I N 4.237 124.648 120.570 -0.263 0.000 2.354 836 I HA 0.381 4.559 4.170 0.013 0.000 0.292 836 I C -0.089 175.973 176.117 -0.091 0.000 0.989 836 I CA -0.230 60.855 61.300 -0.358 0.000 1.188 836 I CB 1.523 39.028 38.000 -0.824 0.000 1.342 836 I HN 0.551 nan 8.210 nan 0.000 0.457 837 T N 4.956 119.463 114.554 -0.078 0.000 2.797 837 T HA 0.606 4.963 4.350 0.013 0.000 0.279 837 T C 0.269 175.005 174.700 0.061 0.000 0.991 837 T CA -0.509 61.603 62.100 0.020 0.000 0.979 837 T CB 1.708 70.567 68.868 -0.015 0.000 0.943 837 T HN 0.774 nan 8.240 nan 0.000 0.444 838 T N -0.532 114.103 114.554 0.135 0.000 2.901 838 T HA 0.871 5.228 4.350 0.013 0.000 0.293 838 T C -1.154 173.595 174.700 0.082 0.000 1.084 838 T CA -1.089 61.067 62.100 0.094 0.000 1.008 838 T CB 2.017 71.003 68.868 0.197 0.000 1.170 838 T HN 0.766 nan 8.240 nan 0.000 0.509 839 A N 1.457 124.246 122.820 -0.051 0.000 2.437 839 A HA 0.749 5.077 4.320 0.013 0.000 0.293 839 A C -1.431 176.048 177.584 -0.176 0.000 1.038 839 A CA -0.756 51.290 52.037 0.015 0.000 0.708 839 A CB 0.826 19.840 19.000 0.023 0.000 1.251 839 A HN 1.001 nan 8.150 nan 0.000 0.409 840 H N 0.135 119.258 119.070 0.088 0.000 2.821 840 H HA 0.795 5.359 4.556 0.013 0.000 0.373 840 H C -0.065 175.270 175.328 0.012 0.000 1.165 840 H CA 0.243 56.250 56.048 -0.068 0.000 1.154 840 H CB 2.170 31.798 29.762 -0.224 0.000 1.765 840 H HN 0.991 nan 8.280 nan 0.000 0.549 841 A N 1.755 124.574 122.820 -0.002 0.000 2.343 841 A HA 0.401 4.728 4.320 0.013 0.000 0.316 841 A C -1.342 176.210 177.584 -0.053 0.000 1.104 841 A CA -0.703 51.401 52.037 0.112 0.000 0.768 841 A CB 1.069 20.112 19.000 0.072 0.000 1.213 841 A HN 0.569 nan 8.150 nan 0.000 0.456 842 W N 2.107 123.522 121.300 0.193 0.000 2.361 842 W HA 0.425 5.093 4.660 0.013 0.000 0.309 842 W C -0.244 176.309 176.519 0.057 0.000 1.122 842 W CA -0.040 57.414 57.345 0.182 0.000 1.208 842 W CB 1.575 31.203 29.460 0.280 0.000 1.246 842 W HN 0.759 nan 8.180 nan 0.000 0.490 843 Q N 1.450 121.384 119.800 0.223 0.000 2.458 843 Q HA 0.410 4.757 4.340 0.013 0.000 0.282 843 Q C -0.945 175.191 176.000 0.227 0.000 1.106 843 Q CA -0.898 54.998 55.803 0.155 0.000 0.814 843 Q CB 3.593 32.378 28.738 0.077 0.000 1.425 843 Q HN 0.386 nan 8.270 nan 0.000 0.437 844 H N 1.632 120.742 119.070 0.066 0.000 3.018 844 H HA 0.056 4.620 4.556 0.013 0.000 0.334 844 H C -0.816 174.548 175.328 0.059 0.000 0.983 844 H CA -0.148 55.949 56.048 0.082 0.000 1.363 844 H CB 0.971 30.794 29.762 0.101 0.000 1.668 844 H HN 0.670 nan 8.280 nan 0.000 0.513 845 Q N 3.316 122.845 119.800 -0.452 0.000 2.453 845 Q HA -0.202 4.146 4.340 0.013 0.000 0.294 845 Q C 1.075 177.015 176.000 -0.099 0.000 1.295 845 Q CA 1.439 57.068 55.803 -0.292 0.000 0.853 845 Q CB -2.070 26.523 28.738 -0.243 0.000 1.193 845 Q HN 1.195 nan 8.270 nan 0.000 0.461 846 G N -1.078 107.691 108.800 -0.051 0.000 2.258 846 G HA2 -0.355 3.612 3.960 0.013 0.000 0.233 846 G HA3 -0.355 3.612 3.960 0.013 0.000 0.233 846 G C 0.119 175.025 174.900 0.010 0.000 1.006 846 G CA 0.431 45.522 45.100 -0.014 0.000 0.620 846 G HN 0.461 nan 8.290 nan 0.000 0.511 847 K N 1.583 122.001 120.400 0.029 0.000 2.159 847 K HA 0.658 4.986 4.320 0.013 0.000 0.266 847 K C -0.183 176.439 176.600 0.036 0.000 0.975 847 K CA -0.075 56.235 56.287 0.037 0.000 0.865 847 K CB 1.098 33.632 32.500 0.057 0.000 1.087 847 K HN 0.004 nan 8.250 nan 0.000 0.446 848 T N 5.832 120.397 114.554 0.018 0.000 2.729 848 T HA 0.219 4.576 4.350 0.013 0.000 0.296 848 T C 1.051 175.707 174.700 -0.074 0.000 0.928 848 T CA -0.380 61.728 62.100 0.014 0.000 1.045 848 T CB 0.392 69.282 68.868 0.037 0.000 0.902 848 T HN 0.549 nan 8.240 nan 0.000 0.500 849 L N 2.607 123.705 121.223 -0.208 0.000 2.145 849 L HA 0.341 4.689 4.340 0.013 0.000 0.201 849 L C -0.069 176.338 176.870 -0.771 0.000 1.075 849 L CA 0.911 55.357 54.840 -0.657 0.000 0.773 849 L CB 0.071 41.378 42.059 -1.252 0.000 0.936 849 L HN 0.530 nan 8.230 nan 0.000 0.451 850 F N -1.224 118.694 119.950 -0.054 0.000 2.601 850 F HA 0.536 5.071 4.527 0.012 0.000 0.309 850 F C -0.527 175.377 175.800 0.172 0.000 1.089 850 F CA -0.800 57.111 58.000 -0.148 0.000 0.940 850 F CB 2.034 40.566 39.000 -0.780 0.000 1.273 850 F HN -0.334 nan 8.300 nan 0.000 0.450 851 I N 1.542 122.344 120.570 0.385 0.000 2.465 851 I HA 0.388 4.565 4.170 0.013 0.000 0.291 851 I C -0.699 175.698 176.117 0.466 0.000 1.014 851 I CA -0.532 61.021 61.300 0.422 0.000 1.093 851 I CB 2.170 40.324 38.000 0.257 0.000 1.267 851 I HN 0.528 nan 8.210 nan 0.000 0.431 852 S N 6.713 122.790 115.700 0.629 0.000 2.478 852 S HA 0.579 5.056 4.470 0.013 0.000 0.312 852 S C -0.662 174.187 174.600 0.416 0.000 1.094 852 S CA -0.685 57.843 58.200 0.546 0.000 1.081 852 S CB 0.706 64.356 63.200 0.749 0.000 1.007 852 S HN 0.541 nan 8.310 nan 0.000 0.475 853 R N 3.409 124.076 120.500 0.278 0.000 2.494 853 R HA 0.578 4.926 4.340 0.013 0.000 0.305 853 R C -0.730 175.655 176.300 0.141 0.000 0.959 853 R CA -0.759 55.461 56.100 0.199 0.000 0.864 853 R CB 1.795 32.183 30.300 0.146 0.000 1.159 853 R HN 0.575 nan 8.270 nan 0.000 0.446 854 K N 0.753 121.232 120.400 0.131 0.000 2.480 854 K HA 0.477 4.804 4.320 0.013 0.000 0.258 854 K C -0.904 175.700 176.600 0.007 0.000 0.990 854 K CA -0.930 55.367 56.287 0.015 0.000 0.857 854 K CB 2.594 35.079 32.500 -0.025 0.000 1.384 854 K HN 0.641 nan 8.250 nan 0.000 0.446 855 T N -1.443 113.044 114.554 -0.111 0.000 2.912 855 T HA 0.552 4.910 4.350 0.013 0.000 0.299 855 T C -1.321 173.285 174.700 -0.157 0.000 1.052 855 T CA -0.778 61.300 62.100 -0.037 0.000 0.996 855 T CB 0.538 69.396 68.868 -0.016 0.000 1.070 855 T HN 0.383 nan 8.240 nan 0.000 0.465 856 Y N 0.930 121.206 120.300 -0.040 0.000 2.326 856 Y HA 0.619 5.177 4.550 0.013 0.000 0.331 856 Y C 0.457 176.295 175.900 -0.103 0.000 0.962 856 Y CA -1.186 56.905 58.100 -0.016 0.000 1.167 856 Y CB 1.767 40.256 38.460 0.048 0.000 1.148 856 Y HN 0.685 nan 8.280 nan 0.000 0.463 857 R N 4.560 125.086 120.500 0.044 0.000 2.337 857 R HA 0.637 4.984 4.340 0.013 0.000 0.319 857 R C -1.635 174.616 176.300 -0.082 0.000 0.954 857 R CA -0.398 55.681 56.100 -0.036 0.000 0.840 857 R CB 0.438 30.723 30.300 -0.025 0.000 1.164 857 R HN 0.795 nan 8.270 nan 0.000 0.472 858 I N 5.255 125.715 120.570 -0.183 0.000 2.339 858 I HA 0.194 4.372 4.170 0.013 0.000 0.290 858 I C -0.174 175.823 176.117 -0.200 0.000 0.994 858 I CA -0.583 60.530 61.300 -0.312 0.000 1.191 858 I CB 1.436 39.035 38.000 -0.667 0.000 1.343 858 I HN 0.703 nan 8.210 nan 0.000 0.458 859 D N 4.324 124.655 120.400 -0.114 0.000 2.592 859 D HA 0.257 4.905 4.640 0.013 0.000 0.259 859 D C 1.204 177.507 176.300 0.005 0.000 1.144 859 D CA -0.730 53.241 54.000 -0.049 0.000 1.080 859 D CB 0.783 41.571 40.800 -0.021 0.000 1.225 859 D HN 0.455 nan 8.370 nan 0.000 0.619 860 G N -1.221 107.596 108.800 0.029 0.000 2.559 860 G HA2 -0.157 3.810 3.960 0.013 0.000 0.216 860 G HA3 -0.157 3.810 3.960 0.013 0.000 0.216 860 G C 1.212 176.210 174.900 0.164 0.000 1.126 860 G CA 1.089 46.241 45.100 0.086 0.000 0.778 860 G HN 0.541 nan 8.290 nan 0.000 0.543 861 S N -1.024 114.760 115.700 0.139 0.000 2.528 861 S HA 0.353 4.831 4.470 0.013 0.000 0.219 861 S C 1.885 176.594 174.600 0.182 0.000 0.985 861 S CA 1.019 59.335 58.200 0.194 0.000 0.914 861 S CB 0.011 63.297 63.200 0.143 0.000 0.776 861 S HN 1.431 nan 8.310 nan 0.000 0.526 862 G N 0.401 109.308 108.800 0.179 0.000 2.157 862 G HA2 -0.216 3.752 3.960 0.013 0.000 0.239 862 G HA3 -0.216 3.752 3.960 0.013 0.000 0.239 862 G C -0.224 174.833 174.900 0.262 0.000 0.982 862 G CA 0.049 45.316 45.100 0.279 0.000 0.650 862 G HN 0.610 nan 8.290 nan 0.000 0.527 863 Q N -0.359 119.534 119.800 0.155 0.000 2.230 863 Q HA 0.659 5.007 4.340 0.013 0.000 0.253 863 Q C 0.191 176.243 176.000 0.087 0.000 0.919 863 Q CA -0.434 55.464 55.803 0.157 0.000 0.908 863 Q CB 1.660 30.478 28.738 0.133 0.000 1.245 863 Q HN 0.408 nan 8.270 nan 0.000 0.437 864 M N 2.220 121.907 119.600 0.144 0.000 2.047 864 M HA 0.488 4.975 4.480 0.013 0.000 0.342 864 M C -1.305 175.095 176.300 0.165 0.000 1.058 864 M CA -0.476 54.875 55.300 0.086 0.000 0.991 864 M CB 0.722 33.389 32.600 0.112 0.000 1.474 864 M HN 0.703 nan 8.290 nan 0.000 0.419 865 A N 6.968 129.849 122.820 0.102 0.000 2.276 865 A HA 0.648 4.975 4.320 0.013 0.000 0.300 865 A C -0.646 176.974 177.584 0.060 0.000 1.235 865 A CA -0.612 51.486 52.037 0.102 0.000 0.867 865 A CB 0.091 19.132 19.000 0.068 0.000 1.137 865 A HN 0.927 nan 8.150 nan 0.000 0.527 866 I N 2.295 122.889 120.570 0.040 0.000 2.354 866 I HA 0.345 4.523 4.170 0.013 0.000 0.292 866 I C -0.063 175.950 176.117 -0.173 0.000 0.989 866 I CA -0.208 61.007 61.300 -0.143 0.000 1.188 866 I CB 1.980 39.895 38.000 -0.140 0.000 1.342 866 I HN 0.483 nan 8.210 nan 0.000 0.457 867 T N 5.661 120.081 114.554 -0.224 0.000 2.807 867 T HA 0.567 4.924 4.350 0.013 0.000 0.279 867 T C -0.337 174.185 174.700 -0.296 0.000 0.993 867 T CA -0.481 61.501 62.100 -0.198 0.000 0.970 867 T CB 1.937 70.782 68.868 -0.037 0.000 0.950 867 T HN 0.230 nan 8.240 nan 0.000 0.441 868 V N 3.456 123.072 119.914 -0.496 0.000 2.588 868 V HA 0.492 4.619 4.120 0.013 0.000 0.304 868 V C -0.824 175.127 176.094 -0.239 0.000 1.042 868 V CA -0.903 61.121 62.300 -0.460 0.000 0.877 868 V CB 2.111 33.347 31.823 -0.979 0.000 0.996 868 V HN 0.851 nan 8.190 nan 0.000 0.425 869 D N 3.287 123.707 120.400 0.033 0.000 2.505 869 D HA 0.521 5.169 4.640 0.013 0.000 0.250 869 D C -1.006 175.425 176.300 0.218 0.000 1.164 869 D CA -0.075 54.035 54.000 0.183 0.000 0.870 869 D CB 2.663 43.585 40.800 0.202 0.000 1.160 869 D HN 0.244 nan 8.370 nan 0.000 0.549 870 V N 2.221 122.302 119.914 0.278 0.000 2.715 870 V HA 0.317 4.445 4.120 0.013 0.000 0.310 870 V C 0.063 176.311 176.094 0.256 0.000 1.054 870 V CA -0.674 61.803 62.300 0.295 0.000 0.928 870 V CB 2.577 34.614 31.823 0.357 0.000 1.007 870 V HN 0.359 nan 8.190 nan 0.000 0.437 871 E N 2.233 122.571 120.200 0.229 0.000 2.187 871 E HA 0.614 4.971 4.350 0.013 0.000 0.268 871 E C -1.601 175.122 176.600 0.206 0.000 0.896 871 E CA -0.499 56.013 56.400 0.186 0.000 0.766 871 E CB 2.463 32.257 29.700 0.156 0.000 1.142 871 E HN 0.412 nan 8.360 nan 0.000 0.408 872 V N 2.132 122.170 119.914 0.206 0.000 2.487 872 V HA 0.383 4.511 4.120 0.013 0.000 0.298 872 V C 0.116 176.304 176.094 0.156 0.000 1.028 872 V CA -0.973 61.471 62.300 0.241 0.000 0.860 872 V CB 1.536 33.544 31.823 0.309 0.000 0.991 872 V HN 0.834 nan 8.190 nan 0.000 0.427 873 A N 3.369 126.235 122.820 0.078 0.000 2.567 873 A HA 0.263 4.590 4.320 0.013 0.000 0.240 873 A C 1.606 179.259 177.584 0.114 0.000 1.053 873 A CA 0.641 52.713 52.037 0.059 0.000 0.755 873 A CB 0.215 19.212 19.000 -0.006 0.000 0.978 873 A HN 1.378 nan 8.150 nan 0.000 0.507 874 S N 1.130 116.894 115.700 0.107 0.000 2.423 874 S HA -0.150 4.328 4.470 0.013 0.000 0.231 874 S C 0.948 175.631 174.600 0.138 0.000 1.014 874 S CA 1.270 59.555 58.200 0.140 0.000 0.965 874 S CB -0.274 62.987 63.200 0.102 0.000 0.785 874 S HN 0.835 nan 8.310 nan 0.000 0.495 875 D N 0.398 120.852 120.400 0.089 0.000 2.339 875 D HA 0.120 4.768 4.640 0.013 0.000 0.217 875 D C 0.561 176.896 176.300 0.058 0.000 1.050 875 D CA 0.092 54.129 54.000 0.061 0.000 0.856 875 D CB -0.489 40.334 40.800 0.038 0.000 0.922 875 D HN 0.305 nan 8.370 nan 0.000 0.518 876 T N 1.565 116.177 114.554 0.096 0.000 2.922 876 T HA 0.365 4.723 4.350 0.013 0.000 0.285 876 T C -2.573 172.234 174.700 0.180 0.000 1.005 876 T CA -1.908 60.275 62.100 0.139 0.000 1.061 876 T CB 1.143 70.098 68.868 0.144 0.000 1.007 876 T HN -0.118 nan 8.240 nan 0.000 0.502 877 P HA 0.074 nan 4.420 nan 0.000 0.265 877 P C -0.576 177.029 177.300 0.508 0.000 1.193 877 P CA 0.107 63.318 63.100 0.184 0.000 0.765 877 P CB -0.072 31.731 31.700 0.172 0.000 0.823 878 H N 3.936 123.388 119.070 0.638 0.000 3.034 878 H HA 0.055 4.618 4.556 0.012 0.000 0.324 878 H C -1.530 174.133 175.328 0.558 0.000 1.015 878 H CA -1.251 55.097 56.048 0.500 0.000 1.429 878 H CB -0.416 29.574 29.762 0.379 0.000 1.429 878 H HN 0.387 nan 8.280 nan 0.000 0.585 879 P HA -0.000 nan 4.420 nan 0.000 0.274 879 P C 0.142 177.335 177.300 -0.177 0.000 1.231 879 P CA -0.248 62.920 63.100 0.113 0.000 0.790 879 P CB 1.098 32.734 31.700 -0.106 0.000 0.951 880 A N 3.447 125.890 122.820 -0.629 0.000 1.972 880 A HA -0.118 4.210 4.320 0.013 0.000 0.219 880 A C 1.082 178.277 177.584 -0.648 0.000 1.169 880 A CA 1.370 52.998 52.037 -0.682 0.000 0.635 880 A CB -0.534 17.839 19.000 -1.045 0.000 0.810 880 A HN 0.760 nan 8.150 nan 0.000 0.446 881 R N -2.984 117.170 120.500 -0.575 0.000 2.728 881 R HA 0.742 5.090 4.340 0.013 0.000 0.274 881 R C -1.678 174.371 176.300 -0.417 0.000 1.030 881 R CA -0.838 54.945 56.100 -0.529 0.000 0.876 881 R CB 0.860 30.814 30.300 -0.576 0.000 1.259 881 R HN -0.000 nan 8.270 nan 0.000 0.468 882 I N 1.061 121.414 120.570 -0.363 0.000 2.517 882 I HA 0.607 4.785 4.170 0.013 0.000 0.280 882 I C -0.469 175.405 176.117 -0.405 0.000 1.061 882 I CA -0.333 60.771 61.300 -0.326 0.000 1.091 882 I CB 1.827 39.709 38.000 -0.196 0.000 1.205 882 I HN 0.966 nan 8.210 nan 0.000 0.459 883 G N 5.853 114.355 108.800 -0.497 0.000 2.731 883 G HA2 0.757 4.724 3.960 0.013 0.000 0.309 883 G HA3 0.757 4.724 3.960 0.013 0.000 0.309 883 G C -1.660 173.067 174.900 -0.288 0.000 1.273 883 G CA -0.569 44.290 45.100 -0.402 0.000 0.798 883 G HN 0.257 nan 8.290 nan 0.000 0.509 884 L N 0.887 121.990 121.223 -0.201 0.000 2.333 884 L HA 0.639 4.987 4.340 0.013 0.000 0.263 884 L C -0.818 175.947 176.870 -0.176 0.000 1.014 884 L CA -1.147 53.603 54.840 -0.151 0.000 0.820 884 L CB 2.473 44.525 42.059 -0.012 0.000 1.352 884 L HN 0.785 nan 8.230 nan 0.000 0.421 885 N N 0.756 119.378 118.700 -0.129 0.000 2.494 885 N HA 0.698 5.446 4.740 0.013 0.000 0.270 885 N C -1.289 174.226 175.510 0.008 0.000 1.285 885 N CA -0.512 52.499 53.050 -0.065 0.000 0.812 885 N CB 2.454 40.923 38.487 -0.031 0.000 1.557 885 N HN 0.848 nan 8.380 nan 0.000 0.487 886 C N -0.931 118.385 119.300 0.027 0.000 3.312 886 C HA 0.578 5.046 4.460 0.013 0.000 0.332 886 C C -1.077 173.718 174.990 -0.325 0.000 1.340 886 C CA -0.841 58.137 59.018 -0.067 0.000 1.265 886 C CB 1.049 28.783 27.740 -0.010 0.000 1.563 886 C HN 0.849 nan 8.230 nan 0.000 0.471 887 Q N 1.403 120.782 119.800 -0.701 0.000 2.372 887 Q HA 0.643 4.990 4.340 0.013 0.000 0.259 887 Q C -1.064 174.650 176.000 -0.476 0.000 0.993 887 Q CA -0.423 54.754 55.803 -1.044 0.000 0.854 887 Q CB 0.863 28.597 28.738 -1.673 0.000 1.231 887 Q HN 0.777 nan 8.270 nan 0.000 0.462 888 L N 2.821 123.860 121.223 -0.307 0.000 2.397 888 L HA 0.257 4.605 4.340 0.013 0.000 0.271 888 L C 1.210 178.025 176.870 -0.092 0.000 1.148 888 L CA -0.226 54.563 54.840 -0.085 0.000 0.825 888 L CB 0.896 43.011 42.059 0.094 0.000 1.117 888 L HN 0.827 nan 8.230 nan 0.000 0.456 889 A N 2.335 125.128 122.820 -0.046 0.000 1.969 889 A HA -0.131 4.197 4.320 0.013 0.000 0.218 889 A C 1.147 178.725 177.584 -0.010 0.000 1.169 889 A CA 0.633 52.635 52.037 -0.058 0.000 0.635 889 A CB -0.297 18.661 19.000 -0.069 0.000 0.810 889 A HN 0.800 nan 8.150 nan 0.000 0.445 890 Q N -0.020 119.815 119.800 0.059 0.000 2.392 890 Q HA 0.390 4.737 4.340 0.013 0.000 0.262 890 Q C -1.082 174.965 176.000 0.077 0.000 1.003 890 Q CA 0.337 56.167 55.803 0.045 0.000 0.888 890 Q CB 0.797 29.584 28.738 0.080 0.000 1.260 890 Q HN 0.125 nan 8.270 nan 0.000 0.435 891 V N 3.594 123.512 119.914 0.007 0.000 2.409 891 V HA 0.791 4.918 4.120 0.013 0.000 0.290 891 V C -0.592 175.462 176.094 -0.066 0.000 1.017 891 V CA -0.207 62.124 62.300 0.052 0.000 0.841 891 V CB 0.924 32.763 31.823 0.028 0.000 1.003 891 V HN 0.916 nan 8.190 nan 0.000 0.426 892 A N 3.142 125.869 122.820 -0.156 0.000 2.354 892 A HA 0.750 5.077 4.320 0.013 0.000 0.321 892 A C 0.820 178.404 177.584 -0.001 0.000 1.125 892 A CA -0.186 51.690 52.037 -0.269 0.000 0.799 892 A CB 1.600 20.198 19.000 -0.669 0.000 1.293 892 A HN 0.907 nan 8.150 nan 0.000 0.452 893 E N 0.478 120.677 120.200 -0.002 0.000 2.076 893 E HA -0.043 4.315 4.350 0.013 0.000 0.190 893 E C 0.396 177.067 176.600 0.117 0.000 0.979 893 E CA 0.803 57.236 56.400 0.056 0.000 0.807 893 E CB 0.116 29.832 29.700 0.026 0.000 0.761 893 E HN 0.515 nan 8.360 nan 0.000 0.454 894 R N 0.173 120.749 120.500 0.127 0.000 2.787 894 R HA 0.541 4.889 4.340 0.013 0.000 0.271 894 R C -1.065 175.409 176.300 0.290 0.000 0.993 894 R CA -1.027 55.178 56.100 0.176 0.000 0.993 894 R CB 1.958 32.335 30.300 0.128 0.000 1.155 894 R HN -0.020 nan 8.270 nan 0.000 0.486 895 V N 2.071 122.169 119.914 0.307 0.000 2.525 895 V HA 0.329 4.456 4.120 0.013 0.000 0.299 895 V C -0.416 175.946 176.094 0.447 0.000 1.034 895 V CA -0.951 61.566 62.300 0.362 0.000 0.863 895 V CB 1.849 33.824 31.823 0.254 0.000 0.999 895 V HN 0.668 nan 8.190 nan 0.000 0.423 896 N N 4.818 123.755 118.700 0.395 0.000 2.354 896 N HA 0.510 5.258 4.740 0.013 0.000 0.287 896 N C -1.285 174.470 175.510 0.409 0.000 1.016 896 N CA -0.440 52.813 53.050 0.339 0.000 0.871 896 N CB 2.485 41.064 38.487 0.154 0.000 1.299 896 N HN 0.803 nan 8.380 nan 0.000 0.482 897 W N 3.330 124.657 121.300 0.045 0.000 3.083 897 W HA 0.612 5.280 4.660 0.012 0.000 0.333 897 W C -1.930 174.546 176.519 -0.071 0.000 1.217 897 W CA -1.185 56.158 57.345 -0.002 0.000 1.170 897 W CB 0.785 30.262 29.460 0.029 0.000 1.437 897 W HN 0.225 nan 8.180 nan 0.000 0.557 898 L N 4.181 125.370 121.223 -0.057 0.000 2.295 898 L HA 0.916 5.264 4.340 0.013 0.000 0.281 898 L C -0.007 176.672 176.870 -0.319 0.000 1.018 898 L CA 0.312 54.933 54.840 -0.366 0.000 0.841 898 L CB 0.640 42.586 42.059 -0.189 0.000 1.218 898 L HN 1.003 nan 8.230 nan 0.000 0.424 899 G N 3.787 112.218 108.800 -0.614 0.000 2.335 899 G HA2 0.201 4.168 3.960 0.013 0.000 0.291 899 G HA3 0.201 4.168 3.960 0.013 0.000 0.291 899 G C -1.678 173.202 174.900 -0.033 0.000 1.261 899 G CA -1.031 43.970 45.100 -0.164 0.000 0.871 899 G HN 0.461 nan 8.290 nan 0.000 0.491 900 L N 0.977 122.344 121.223 0.241 0.000 2.349 900 L HA 0.640 4.987 4.340 0.013 0.000 0.275 900 L C 1.064 178.009 176.870 0.125 0.000 1.115 900 L CA 0.679 55.623 54.840 0.174 0.000 0.820 900 L CB 0.816 42.938 42.059 0.104 0.000 1.135 900 L HN 1.200 nan 8.230 nan 0.000 0.445 901 G N 2.577 111.199 108.800 -0.297 0.000 2.348 901 G HA2 0.249 4.217 3.960 0.013 0.000 0.296 901 G HA3 0.249 4.217 3.960 0.013 0.000 0.296 901 G C -2.762 171.304 174.900 -1.390 0.000 1.258 901 G CA -0.276 44.359 45.100 -0.775 0.000 0.868 901 G HN 0.312 nan 8.290 nan 0.000 0.488 902 P HA 0.100 nan 4.420 nan 0.000 0.235 902 P C 0.435 177.557 177.300 -0.297 0.000 1.177 902 P CA 0.565 63.065 63.100 -1.001 0.000 0.785 902 P CB 0.478 31.744 31.700 -0.724 0.000 0.885 903 Q N 0.495 120.107 119.800 -0.313 0.000 2.318 903 Q HA 0.168 4.516 4.340 0.013 0.000 0.222 903 Q C 0.353 176.248 176.000 -0.175 0.000 1.003 903 Q CA -0.665 55.031 55.803 -0.180 0.000 0.936 903 Q CB 0.714 29.369 28.738 -0.139 0.000 1.204 903 Q HN 0.110 nan 8.270 nan 0.000 0.524 904 E N 1.277 121.382 120.200 -0.158 0.000 2.568 904 E HA -0.119 4.238 4.350 0.013 0.000 0.262 904 E C -1.142 175.371 176.600 -0.145 0.000 0.961 904 E CA 0.306 56.596 56.400 -0.183 0.000 0.945 904 E CB 0.236 29.898 29.700 -0.063 0.000 0.924 904 E HN 0.592 nan 8.360 nan 0.000 0.467 905 N N 2.712 121.239 118.700 -0.289 0.000 2.308 905 N HA 0.336 5.084 4.740 0.013 0.000 0.283 905 N C -1.836 173.437 175.510 -0.394 0.000 1.105 905 N CA -0.688 52.245 53.050 -0.195 0.000 0.840 905 N CB 0.770 39.176 38.487 -0.135 0.000 1.633 905 N HN 0.244 nan 8.380 nan 0.000 0.476 906 Y N 0.022 120.230 120.300 -0.153 0.000 2.633 906 Y HA 0.501 5.059 4.550 0.013 0.000 0.339 906 Y C -1.653 174.174 175.900 -0.121 0.000 1.045 906 Y CA -2.056 55.939 58.100 -0.174 0.000 1.098 906 Y CB 1.953 40.303 38.460 -0.183 0.000 1.296 906 Y HN 0.438 nan 8.280 nan 0.000 0.494 907 P HA -0.184 nan 4.420 nan 0.000 0.216 907 P C 0.402 177.599 177.300 -0.171 0.000 1.153 907 P CA 2.187 65.339 63.100 0.086 0.000 0.858 907 P CB 0.197 32.064 31.700 0.278 0.000 0.789 908 D N -2.339 117.720 120.400 -0.568 0.000 2.342 908 D HA 0.005 4.653 4.640 0.013 0.000 0.221 908 D C 0.700 176.837 176.300 -0.273 0.000 1.101 908 D CA 0.084 53.534 54.000 -0.916 0.000 0.837 908 D CB -0.258 39.775 40.800 -1.279 0.000 0.938 908 D HN 0.120 nan 8.370 nan 0.000 0.508 909 R N 1.029 121.474 120.500 -0.091 0.000 2.627 909 R HA 0.183 4.530 4.340 0.013 0.000 0.251 909 R C -0.542 175.788 176.300 0.050 0.000 1.524 909 R CA -0.151 55.961 56.100 0.020 0.000 1.606 909 R CB 0.094 30.412 30.300 0.030 0.000 1.396 909 R HN 0.100 nan 8.270 nan 0.000 0.724 910 L N -1.951 119.309 121.223 0.062 0.000 3.386 910 L HA 0.332 4.680 4.340 0.013 0.000 0.307 910 L C 1.329 178.257 176.870 0.096 0.000 1.235 910 L CA 0.161 55.036 54.840 0.059 0.000 1.056 910 L CB 0.055 42.139 42.059 0.041 0.000 1.453 910 L HN 0.072 nan 8.230 nan 0.000 0.615 911 T N -2.572 112.067 114.554 0.142 0.000 2.833 911 T HA -0.014 4.343 4.350 0.013 0.000 0.269 911 T C 1.758 176.517 174.700 0.098 0.000 1.054 911 T CA 1.369 63.579 62.100 0.182 0.000 1.135 911 T CB -0.351 68.680 68.868 0.270 0.000 0.869 911 T HN 0.402 nan 8.240 nan 0.000 0.466 912 A N 1.549 124.434 122.820 0.109 0.000 2.067 912 A HA 0.663 4.991 4.320 0.013 0.000 0.217 912 A C 1.626 179.297 177.584 0.145 0.000 1.156 912 A CA 0.464 52.527 52.037 0.043 0.000 0.683 912 A CB -0.886 18.276 19.000 0.270 0.000 0.808 912 A HN 0.832 nan 8.150 nan 0.000 0.455 913 A N -0.980 121.869 122.820 0.048 0.000 2.407 913 A HA 0.436 4.763 4.320 0.013 0.000 0.248 913 A C 0.032 177.623 177.584 0.012 0.000 1.082 913 A CA -0.023 51.992 52.037 -0.036 0.000 0.785 913 A CB -0.165 18.807 19.000 -0.047 0.000 1.020 913 A HN 0.477 nan 8.150 nan 0.000 0.489 914 C N 0.840 120.138 119.300 -0.004 0.000 2.493 914 C HA 0.540 5.007 4.460 0.013 0.000 0.326 914 C C -0.084 175.004 174.990 0.163 0.000 1.200 914 C CA -0.487 58.591 59.018 0.101 0.000 1.739 914 C CB 0.742 28.565 27.740 0.138 0.000 2.300 914 C HN 0.789 nan 8.230 nan 0.000 0.500 915 F N 3.812 123.617 119.950 -0.242 0.000 2.445 915 F HA 0.459 4.994 4.527 0.013 0.000 0.359 915 F C 0.421 175.925 175.800 -0.493 0.000 1.101 915 F CA 1.204 58.926 58.000 -0.463 0.000 1.177 915 F CB -0.020 38.181 39.000 -1.331 0.000 1.110 915 F HN 0.643 nan 8.300 nan 0.000 0.522 916 D N 3.763 123.555 120.400 -1.015 0.000 3.010 916 D HA 0.184 4.831 4.640 0.013 0.000 0.353 916 D C -1.584 173.834 176.300 -1.469 0.000 1.415 916 D CA -0.742 52.572 54.000 -1.143 0.000 0.864 916 D CB 1.542 41.602 40.800 -1.233 0.000 1.445 916 D HN 0.525 nan 8.370 nan 0.000 0.516 917 R N 0.547 120.261 120.500 -1.311 0.000 2.255 917 R HA 0.515 4.862 4.340 0.013 0.000 0.326 917 R C -1.172 174.343 176.300 -1.308 0.000 0.986 917 R CA -0.458 55.009 56.100 -1.055 0.000 0.847 917 R CB 0.672 30.617 30.300 -0.591 0.000 1.111 917 R HN 0.268 nan 8.270 nan 0.000 0.452 918 W N 2.512 123.276 121.300 -0.894 0.000 2.706 918 W HA 0.391 5.058 4.660 0.013 0.000 0.346 918 W C -0.496 175.653 176.519 -0.616 0.000 1.071 918 W CA -0.597 56.169 57.345 -0.965 0.000 1.206 918 W CB 1.637 29.992 29.460 -1.841 0.000 1.413 918 W HN 0.342 nan 8.180 nan 0.000 0.542 919 D N 2.522 122.897 120.400 -0.041 0.000 2.470 919 D HA 0.380 5.028 4.640 0.013 0.000 0.233 919 D C -1.593 174.820 176.300 0.188 0.000 1.372 919 D CA -0.135 53.935 54.000 0.117 0.000 0.994 919 D CB 0.851 41.665 40.800 0.024 0.000 1.377 919 D HN 0.370 nan 8.370 nan 0.000 0.586 920 L N 3.097 124.505 121.223 0.308 0.000 2.333 920 L HA 0.590 4.938 4.340 0.013 0.000 0.263 920 L C -2.245 174.744 176.870 0.198 0.000 1.014 920 L CA -2.196 52.789 54.840 0.242 0.000 0.820 920 L CB 2.539 44.778 42.059 0.300 0.000 1.352 920 L HN 0.151 nan 8.230 nan 0.000 0.421 921 P HA 0.032 nan 4.420 nan 0.000 0.272 921 P C 0.505 177.883 177.300 0.130 0.000 1.223 921 P CA -0.407 62.765 63.100 0.120 0.000 0.784 921 P CB 0.807 32.558 31.700 0.084 0.000 0.923 922 L N 3.172 124.475 121.223 0.134 0.000 2.013 922 L HA -0.257 4.090 4.340 0.013 0.000 0.212 922 L C 2.268 179.188 176.870 0.083 0.000 1.073 922 L CA 2.793 57.703 54.840 0.116 0.000 0.753 922 L CB -1.678 40.461 42.059 0.134 0.000 0.890 922 L HN 0.476 nan 8.230 nan 0.000 0.432 923 S N -1.679 114.072 115.700 0.085 0.000 2.419 923 S HA -0.203 4.275 4.470 0.013 0.000 0.235 923 S C 1.640 176.314 174.600 0.123 0.000 1.019 923 S CA 1.250 59.517 58.200 0.112 0.000 0.982 923 S CB -0.857 62.401 63.200 0.097 0.000 0.789 923 S HN 0.542 nan 8.310 nan 0.000 0.490 924 D N 1.176 121.624 120.400 0.080 0.000 2.350 924 D HA 0.061 4.709 4.640 0.013 0.000 0.216 924 D C 1.285 177.593 176.300 0.014 0.000 0.968 924 D CA 0.674 54.701 54.000 0.046 0.000 0.894 924 D CB -0.177 40.658 40.800 0.058 0.000 0.909 924 D HN 0.405 nan 8.370 nan 0.000 0.520 925 M N -0.504 119.112 119.600 0.027 0.000 2.563 925 M HA 0.054 4.542 4.480 0.013 0.000 0.231 925 M C -0.035 176.276 176.300 0.018 0.000 1.136 925 M CA -0.011 55.262 55.300 -0.045 0.000 1.026 925 M CB -0.785 31.772 32.600 -0.071 0.000 1.597 925 M HN -0.047 nan 8.290 nan 0.000 0.495 926 Y N 0.193 120.464 120.300 -0.049 0.000 2.364 926 Y HA 0.501 5.059 4.550 0.013 0.000 0.340 926 Y C -0.748 175.126 175.900 -0.044 0.000 0.975 926 Y CA -1.018 57.078 58.100 -0.008 0.000 1.089 926 Y CB 1.256 39.772 38.460 0.093 0.000 1.192 926 Y HN -0.127 nan 8.280 nan 0.000 0.454 927 T N 9.003 123.179 114.554 -0.631 0.000 2.758 927 T HA 0.293 4.650 4.350 0.013 0.000 0.285 927 T C -2.640 171.376 174.700 -1.140 0.000 0.981 927 T CA -1.514 60.137 62.100 -0.749 0.000 0.965 927 T CB 1.219 69.734 68.868 -0.589 0.000 0.927 927 T HN 0.475 nan 8.240 nan 0.000 0.448 928 P HA 0.129 nan 4.420 nan 0.000 0.218 928 P C -0.649 176.616 177.300 -0.058 0.000 1.793 928 P CA -0.469 62.263 63.100 -0.613 0.000 0.941 928 P CB -0.735 30.727 31.700 -0.397 0.000 1.919 929 Y N -0.323 120.029 120.300 0.086 0.000 2.810 929 Y HA -0.114 4.444 4.550 0.013 0.000 0.332 929 Y C 2.288 178.308 175.900 0.201 0.000 1.243 929 Y CA -0.378 57.834 58.100 0.186 0.000 1.537 929 Y CB 0.415 38.877 38.460 0.004 0.000 1.265 929 Y HN -0.090 nan 8.280 nan 0.000 0.572 930 V N 3.698 123.889 119.914 0.462 0.000 2.332 930 V HA -0.305 3.823 4.120 0.013 0.000 0.248 930 V C 0.541 176.832 176.094 0.330 0.000 1.055 930 V CA 1.439 63.970 62.300 0.385 0.000 1.038 930 V CB -0.557 31.519 31.823 0.422 0.000 0.651 930 V HN 0.594 nan 8.190 nan 0.000 0.450 931 F N 3.026 123.039 119.950 0.106 0.000 2.350 931 F HA 0.526 5.060 4.527 0.013 0.000 0.365 931 F C -2.519 173.291 175.800 0.018 0.000 1.122 931 F CA -3.454 54.544 58.000 -0.003 0.000 1.139 931 F CB 0.753 39.632 39.000 -0.202 0.000 1.220 931 F HN -0.012 nan 8.300 nan 0.000 0.499 932 P HA 0.250 nan 4.420 nan 0.000 0.269 932 P C -1.019 175.942 177.300 -0.566 0.000 1.209 932 P CA 0.094 62.943 63.100 -0.419 0.000 0.776 932 P CB 1.231 32.717 31.700 -0.357 0.000 0.876 933 S N 0.108 115.681 115.700 -0.211 0.000 2.703 933 S HA 0.445 4.923 4.470 0.013 0.000 0.273 933 S C -0.834 173.747 174.600 -0.032 0.000 1.178 933 S CA -0.946 57.166 58.200 -0.146 0.000 0.838 933 S CB 0.450 63.584 63.200 -0.110 0.000 1.178 933 S HN 0.334 nan 8.310 nan 0.000 0.494 934 E N 1.116 121.309 120.200 -0.011 0.000 2.568 934 E HA 0.332 4.690 4.350 0.013 0.000 0.262 934 E C -0.186 176.466 176.600 0.086 0.000 0.961 934 E CA 0.926 57.352 56.400 0.044 0.000 0.945 934 E CB -0.195 29.553 29.700 0.081 0.000 0.924 934 E HN 0.816 nan 8.360 nan 0.000 0.467 935 N N 1.412 120.205 118.700 0.155 0.000 2.961 935 N HA 0.470 5.218 4.740 0.013 0.000 0.245 935 N C 0.130 175.708 175.510 0.113 0.000 1.404 935 N CA -0.496 52.692 53.050 0.230 0.000 0.880 935 N CB 0.974 39.605 38.487 0.241 0.000 1.461 935 N HN 0.762 nan 8.380 nan 0.000 0.510 936 G N -1.188 107.640 108.800 0.047 0.000 2.162 936 G HA2 -0.263 3.704 3.960 0.013 0.000 0.260 936 G HA3 -0.263 3.704 3.960 0.013 0.000 0.260 936 G C -0.187 174.454 174.900 -0.432 0.000 0.976 936 G CA 0.410 45.411 45.100 -0.165 0.000 0.655 936 G HN 0.723 nan 8.290 nan 0.000 0.533 937 L N -0.052 120.836 121.223 -0.558 0.000 2.483 937 L HA 0.681 5.028 4.340 0.013 0.000 0.275 937 L C 0.707 176.981 176.870 -0.992 0.000 1.220 937 L CA 0.432 54.701 54.840 -0.952 0.000 0.833 937 L CB 0.536 41.711 42.059 -1.474 0.000 1.102 937 L HN 0.275 nan 8.230 nan 0.000 0.490 938 R N 1.913 121.741 120.500 -1.120 0.000 2.575 938 R HA 0.521 4.869 4.340 0.013 0.000 0.293 938 R C -1.045 174.901 176.300 -0.590 0.000 0.983 938 R CA -0.295 55.307 56.100 -0.829 0.000 0.887 938 R CB 1.505 31.213 30.300 -0.987 0.000 1.184 938 R HN 0.709 nan 8.270 nan 0.000 0.445 939 C N 0.195 119.303 119.300 -0.320 0.000 2.380 939 C HA 0.720 5.187 4.460 0.013 0.000 0.393 939 C C 1.220 176.194 174.990 -0.026 0.000 1.284 939 C CA 0.044 58.955 59.018 -0.179 0.000 2.033 939 C CB 1.355 29.012 27.740 -0.137 0.000 2.165 939 C HN 1.025 nan 8.230 nan 0.000 0.540 940 G N 1.711 110.509 108.800 -0.003 0.000 2.341 940 G HA2 -0.187 3.780 3.960 0.013 0.000 0.292 940 G HA3 -0.187 3.780 3.960 0.013 0.000 0.292 940 G C -0.047 174.927 174.900 0.123 0.000 1.021 940 G CA 0.643 45.795 45.100 0.086 0.000 0.905 940 G HN 0.788 nan 8.290 nan 0.000 0.508 941 T N -0.115 114.381 114.554 -0.097 0.000 2.799 941 T HA 0.531 4.889 4.350 0.013 0.000 0.286 941 T C 1.279 175.690 174.700 -0.483 0.000 0.973 941 T CA -0.614 61.371 62.100 -0.192 0.000 1.035 941 T CB 1.350 70.109 68.868 -0.183 0.000 0.932 941 T HN 0.193 nan 8.240 nan 0.000 0.469 942 R N 1.480 121.907 120.500 -0.122 0.000 2.307 942 R HA 0.303 4.650 4.340 0.013 0.000 0.200 942 R C 0.452 176.795 176.300 0.072 0.000 0.893 942 R CA 0.166 56.258 56.100 -0.014 0.000 1.042 942 R CB 0.364 30.783 30.300 0.197 0.000 1.059 942 R HN 0.713 nan 8.270 nan 0.000 0.530 943 E N 0.407 120.651 120.200 0.072 0.000 2.347 943 E HA 0.302 4.660 4.350 0.013 0.000 0.285 943 E C -1.886 174.853 176.600 0.233 0.000 0.925 943 E CA -0.621 55.907 56.400 0.213 0.000 0.779 943 E CB 1.428 31.214 29.700 0.144 0.000 1.233 943 E HN -0.079 nan 8.360 nan 0.000 0.414 944 L N 3.975 125.399 121.223 0.336 0.000 2.408 944 L HA 0.608 4.955 4.340 0.013 0.000 0.268 944 L C -1.805 175.250 176.870 0.308 0.000 0.986 944 L CA -0.385 54.592 54.840 0.229 0.000 0.820 944 L CB 1.829 43.905 42.059 0.029 0.000 1.303 944 L HN 0.483 nan 8.230 nan 0.000 0.411 945 N N 4.326 123.179 118.700 0.255 0.000 2.314 945 N HA 0.409 5.157 4.740 0.013 0.000 0.294 945 N C -1.988 173.737 175.510 0.360 0.000 1.029 945 N CA -0.287 52.908 53.050 0.242 0.000 0.845 945 N CB 2.276 40.851 38.487 0.148 0.000 1.321 945 N HN 0.614 nan 8.380 nan 0.000 0.481 946 Y N 1.147 121.570 120.300 0.205 0.000 2.298 946 Y HA 0.391 4.949 4.550 0.013 0.000 0.322 946 Y C 0.528 176.529 175.900 0.167 0.000 1.138 946 Y CA 0.138 58.366 58.100 0.213 0.000 1.127 946 Y CB 0.528 39.177 38.460 0.316 0.000 1.178 946 Y HN 0.876 nan 8.280 nan 0.000 0.428 947 G N 6.490 115.123 108.800 -0.280 0.000 2.574 947 G HA2 -0.298 3.670 3.960 0.013 0.000 0.286 947 G HA3 -0.298 3.670 3.960 0.013 0.000 0.286 947 G C -1.691 173.091 174.900 -0.197 0.000 1.212 947 G CA 0.048 44.967 45.100 -0.301 0.000 0.979 947 G HN 0.574 nan 8.290 nan 0.000 0.557 948 P HA 0.118 nan 4.420 nan 0.000 0.236 948 P C 0.342 177.441 177.300 -0.334 0.000 1.177 948 P CA 0.925 63.826 63.100 -0.331 0.000 0.773 948 P CB -0.038 31.388 31.700 -0.457 0.000 0.878 949 H N 0.291 119.287 119.070 -0.123 0.000 2.481 949 H HA 0.442 5.005 4.556 0.013 0.000 0.339 949 H C -0.025 174.990 175.328 -0.522 0.000 1.131 949 H CA -0.048 55.786 56.048 -0.356 0.000 1.301 949 H CB 1.538 30.905 29.762 -0.658 0.000 1.476 949 H HN 0.077 nan 8.280 nan 0.000 0.529 950 Q N 2.539 122.042 119.800 -0.495 0.000 2.285 950 Q HA 0.223 4.570 4.340 0.013 0.000 0.269 950 Q C -1.523 174.171 176.000 -0.510 0.000 1.030 950 Q CA -0.704 54.905 55.803 -0.323 0.000 0.788 950 Q CB 1.899 30.596 28.738 -0.068 0.000 1.266 950 Q HN 0.572 nan 8.270 nan 0.000 0.438 951 W N 4.065 125.313 121.300 -0.086 0.000 2.573 951 W HA 0.566 5.234 4.660 0.013 0.000 0.326 951 W C -0.131 176.463 176.519 0.126 0.000 1.049 951 W CA -0.708 56.557 57.345 -0.133 0.000 1.220 951 W CB 1.785 30.959 29.460 -0.477 0.000 1.373 951 W HN 0.522 nan 8.180 nan 0.000 0.507 952 R N 0.775 121.501 120.500 0.377 0.000 2.807 952 R HA 0.815 5.162 4.340 0.013 0.000 0.276 952 R C 0.200 176.784 176.300 0.475 0.000 0.979 952 R CA -0.535 55.815 56.100 0.417 0.000 0.928 952 R CB 2.359 32.814 30.300 0.257 0.000 1.191 952 R HN 0.733 nan 8.270 nan 0.000 0.471 953 G N 0.548 109.640 108.800 0.486 0.000 2.564 953 G HA2 0.015 3.982 3.960 0.013 0.000 0.139 953 G HA3 0.015 3.982 3.960 0.013 0.000 0.139 953 G C -1.755 173.310 174.900 0.275 0.000 1.147 953 G CA -0.355 44.997 45.100 0.420 0.000 1.031 953 G HN 0.490 nan 8.290 nan 0.000 0.482 954 D N 0.121 120.681 120.400 0.268 0.000 2.472 954 D HA 0.559 5.206 4.640 0.013 0.000 0.248 954 D C -0.711 175.614 176.300 0.043 0.000 1.271 954 D CA -0.437 53.597 54.000 0.057 0.000 0.888 954 D CB 0.131 40.985 40.800 0.091 0.000 1.337 954 D HN 0.511 nan 8.370 nan 0.000 0.526 955 F N -0.344 119.603 119.950 -0.006 0.000 2.790 955 F HA 0.752 5.286 4.527 0.013 0.000 0.337 955 F C -0.840 174.921 175.800 -0.064 0.000 1.163 955 F CA -0.990 56.943 58.000 -0.111 0.000 0.997 955 F CB 0.772 39.706 39.000 -0.110 0.000 1.437 955 F HN -0.204 nan 8.300 nan 0.000 0.512 956 Q N 1.416 121.290 119.800 0.123 0.000 2.348 956 Q HA 0.646 4.994 4.340 0.013 0.000 0.271 956 Q C -1.286 174.784 176.000 0.116 0.000 1.067 956 Q CA -0.559 55.229 55.803 -0.026 0.000 0.839 956 Q CB 2.728 31.351 28.738 -0.193 0.000 1.354 956 Q HN 0.868 nan 8.270 nan 0.000 0.447 957 F N -1.216 118.625 119.950 -0.182 0.000 2.713 957 F HA 0.738 5.273 4.527 0.013 0.000 0.311 957 F C -1.516 174.075 175.800 -0.349 0.000 1.141 957 F CA -1.100 56.754 58.000 -0.243 0.000 0.939 957 F CB 1.475 40.355 39.000 -0.200 0.000 1.325 957 F HN 0.577 nan 8.300 nan 0.000 0.453 958 N N 1.438 119.953 118.700 -0.307 0.000 2.357 958 N HA 0.767 5.515 4.740 0.013 0.000 0.284 958 N C -2.079 173.377 175.510 -0.090 0.000 1.236 958 N CA -0.805 52.043 53.050 -0.336 0.000 0.774 958 N CB 2.747 41.060 38.487 -0.291 0.000 1.534 958 N HN 1.110 nan 8.380 nan 0.000 0.478 959 I N 0.267 120.776 120.570 -0.101 0.000 2.649 959 I HA 0.638 4.816 4.170 0.013 0.000 0.289 959 I C -1.500 174.542 176.117 -0.125 0.000 1.222 959 I CA 0.055 61.265 61.300 -0.151 0.000 1.046 959 I CB 1.325 39.167 38.000 -0.264 0.000 1.272 959 I HN 1.064 nan 8.210 nan 0.000 0.425 960 S N 6.268 121.906 115.700 -0.103 0.000 2.656 960 S HA 0.498 4.976 4.470 0.013 0.000 0.265 960 S C -0.393 174.109 174.600 -0.163 0.000 1.132 960 S CA -0.964 57.167 58.200 -0.114 0.000 0.819 960 S CB 1.683 64.875 63.200 -0.015 0.000 1.119 960 S HN 0.615 nan 8.310 nan 0.000 0.476 961 R N 0.064 120.300 120.500 -0.439 0.000 2.363 961 R HA 0.286 4.634 4.340 0.013 0.000 0.236 961 R C -0.977 174.998 176.300 -0.541 0.000 0.966 961 R CA 0.240 56.067 56.100 -0.455 0.000 1.100 961 R CB -1.150 28.760 30.300 -0.649 0.000 1.125 961 R HN 0.657 nan 8.270 nan 0.000 0.514 962 Y N -0.142 120.126 120.300 -0.053 0.000 2.391 962 Y HA 0.217 4.775 4.550 0.013 0.000 0.341 962 Y C 0.693 176.383 175.900 -0.350 0.000 0.965 962 Y CA -1.134 56.847 58.100 -0.198 0.000 1.067 962 Y CB 1.499 39.785 38.460 -0.290 0.000 1.199 962 Y HN -0.092 nan 8.280 nan 0.000 0.450 963 S N 1.523 116.900 115.700 -0.539 0.000 2.603 963 S HA 0.067 4.544 4.470 0.013 0.000 0.268 963 S C 0.844 175.089 174.600 -0.592 0.000 1.317 963 S CA -0.758 56.731 58.200 -1.185 0.000 1.012 963 S CB 1.204 63.576 63.200 -1.380 0.000 0.926 963 S HN 0.732 nan 8.310 nan 0.000 0.539 964 Q N 0.719 120.182 119.800 -0.562 0.000 2.170 964 Q HA -0.200 4.148 4.340 0.013 0.000 0.203 964 Q C 2.193 178.046 176.000 -0.244 0.000 0.976 964 Q CA 1.806 57.431 55.803 -0.296 0.000 0.858 964 Q CB -0.523 28.076 28.738 -0.232 0.000 0.907 964 Q HN 0.971 nan 8.270 nan 0.000 0.433 965 Q N 0.612 120.230 119.800 -0.303 0.000 2.084 965 Q HA -0.219 4.129 4.340 0.013 0.000 0.202 965 Q C 2.119 178.015 176.000 -0.173 0.000 0.978 965 Q CA 1.558 57.245 55.803 -0.193 0.000 0.844 965 Q CB 0.024 28.655 28.738 -0.178 0.000 0.898 965 Q HN 0.398 nan 8.270 nan 0.000 0.426 966 Q N -0.054 119.616 119.800 -0.217 0.000 2.079 966 Q HA -0.157 4.190 4.340 0.013 0.000 0.200 966 Q C 2.171 178.052 176.000 -0.197 0.000 0.974 966 Q CA 1.227 56.922 55.803 -0.181 0.000 0.840 966 Q CB -0.037 28.573 28.738 -0.212 0.000 0.898 966 Q HN 0.477 nan 8.270 nan 0.000 0.430 967 L N 0.142 121.238 121.223 -0.212 0.000 2.046 967 L HA -0.204 4.143 4.340 0.013 0.000 0.208 967 L C 2.687 179.423 176.870 -0.224 0.000 1.077 967 L CA 1.306 56.013 54.840 -0.222 0.000 0.747 967 L CB -0.393 41.564 42.059 -0.170 0.000 0.896 967 L HN 0.406 nan 8.230 nan 0.000 0.432 968 M N -0.446 119.054 119.600 -0.168 0.000 2.394 968 M HA -0.154 4.333 4.480 0.013 0.000 0.264 968 M C 1.445 177.675 176.300 -0.117 0.000 1.073 968 M CA 1.585 56.802 55.300 -0.139 0.000 1.111 968 M CB 0.104 32.636 32.600 -0.112 0.000 1.401 968 M HN 0.201 nan 8.290 nan 0.000 0.448 969 E N -0.304 119.828 120.200 -0.113 0.000 2.474 969 E HA 0.073 4.431 4.350 0.013 0.000 0.195 969 E C -0.435 176.125 176.600 -0.068 0.000 1.039 969 E CA 0.046 56.404 56.400 -0.070 0.000 0.881 969 E CB 0.543 30.211 29.700 -0.054 0.000 0.970 969 E HN 0.323 nan 8.360 nan 0.000 0.486 970 T N 0.112 114.589 114.554 -0.127 0.000 2.807 970 T HA 0.126 4.483 4.350 0.013 0.000 0.279 970 T C 0.878 175.498 174.700 -0.133 0.000 0.993 970 T CA -0.573 61.456 62.100 -0.118 0.000 0.970 970 T CB 1.701 70.467 68.868 -0.171 0.000 0.950 970 T HN -0.003 nan 8.240 nan 0.000 0.441 971 S N 1.304 117.026 115.700 0.036 0.000 2.535 971 S HA 0.154 4.631 4.470 0.013 0.000 0.214 971 S C 0.132 174.824 174.600 0.153 0.000 0.980 971 S CA -0.003 58.304 58.200 0.179 0.000 0.907 971 S CB -0.202 63.240 63.200 0.403 0.000 0.790 971 S HN 0.726 nan 8.310 nan 0.000 0.510 972 H N 0.922 120.006 119.070 0.023 0.000 2.759 972 H HA 0.482 5.045 4.556 0.013 0.000 0.354 972 H C 0.946 176.244 175.328 -0.051 0.000 1.074 972 H CA -0.795 55.305 56.048 0.086 0.000 1.226 972 H CB 1.535 31.307 29.762 0.017 0.000 1.648 972 H HN 0.132 nan 8.280 nan 0.000 0.529 973 R N 2.082 122.685 120.500 0.172 0.000 2.127 973 R HA -0.184 4.164 4.340 0.013 0.000 0.238 973 R C 1.165 177.481 176.300 0.027 0.000 1.134 973 R CA 1.946 58.091 56.100 0.074 0.000 0.975 973 R CB -0.443 29.953 30.300 0.160 0.000 0.865 973 R HN 0.772 nan 8.270 nan 0.000 0.447 974 H N 0.956 120.032 119.070 0.010 0.000 2.545 974 H HA 0.033 4.596 4.556 0.013 0.000 0.282 974 H C 1.468 176.721 175.328 -0.125 0.000 1.020 974 H CA 0.770 56.784 56.048 -0.058 0.000 1.243 974 H CB -0.117 29.600 29.762 -0.076 0.000 1.377 974 H HN 0.328 nan 8.280 nan 0.000 0.581 975 L N 0.839 121.682 121.223 -0.635 0.000 2.592 975 L HA 0.215 4.562 4.340 0.013 0.000 0.227 975 L C 0.721 177.462 176.870 -0.214 0.000 1.127 975 L CA -0.147 54.403 54.840 -0.483 0.000 0.884 975 L CB 0.115 41.859 42.059 -0.526 0.000 1.065 975 L HN 0.044 nan 8.230 nan 0.000 0.457 976 L N 0.891 121.979 121.223 -0.225 0.000 2.439 976 L HA 0.140 4.488 4.340 0.013 0.000 0.269 976 L C 0.193 177.038 176.870 -0.041 0.000 1.179 976 L CA -0.061 54.621 54.840 -0.262 0.000 0.828 976 L CB 0.363 42.026 42.059 -0.661 0.000 1.106 976 L HN 0.208 nan 8.230 nan 0.000 0.467 977 H N 1.434 120.543 119.070 0.065 0.000 2.679 977 H HA 0.587 5.150 4.556 0.013 0.000 0.360 977 H C -0.817 174.632 175.328 0.202 0.000 1.105 977 H CA -1.247 54.870 56.048 0.115 0.000 1.196 977 H CB 1.357 31.139 29.762 0.032 0.000 1.636 977 H HN 0.676 nan 8.280 nan 0.000 0.531 978 A N 3.543 126.454 122.820 0.151 0.000 2.520 978 A HA 0.094 4.422 4.320 0.013 0.000 0.245 978 A C 0.342 177.955 177.584 0.047 0.000 1.072 978 A CA -0.131 51.846 52.037 -0.101 0.000 0.761 978 A CB -0.073 18.851 19.000 -0.126 0.000 1.004 978 A HN 0.843 nan 8.150 nan 0.000 0.499 979 E N 1.025 121.219 120.200 -0.010 0.000 2.359 979 E HA 0.226 4.583 4.350 0.013 0.000 0.255 979 E C -0.080 176.558 176.600 0.064 0.000 1.191 979 E CA -0.709 55.772 56.400 0.135 0.000 0.952 979 E CB 0.674 30.527 29.700 0.255 0.000 1.152 979 E HN 0.792 nan 8.360 nan 0.000 0.496 980 E N 0.105 120.340 120.200 0.059 0.000 2.392 980 E HA 0.237 4.595 4.350 0.013 0.000 0.264 980 E C 0.186 176.747 176.600 -0.064 0.000 1.024 980 E CA 0.516 56.913 56.400 -0.004 0.000 0.903 980 E CB 0.446 30.140 29.700 -0.011 0.000 0.963 980 E HN 0.662 nan 8.360 nan 0.000 0.432 981 G N 2.486 111.250 108.800 -0.061 0.000 2.750 981 G HA2 -0.217 3.750 3.960 0.013 0.000 0.228 981 G HA3 -0.217 3.750 3.960 0.013 0.000 0.228 981 G C -0.632 174.205 174.900 -0.105 0.000 1.367 981 G CA -0.267 44.776 45.100 -0.095 0.000 0.871 981 G HN 0.573 nan 8.290 nan 0.000 0.560 982 T N 0.318 114.797 114.554 -0.126 0.000 2.812 982 T HA 0.511 4.868 4.350 0.013 0.000 0.282 982 T C -0.620 173.933 174.700 -0.246 0.000 0.990 982 T CA -0.105 61.928 62.100 -0.111 0.000 0.960 982 T CB 1.295 70.186 68.868 0.039 0.000 0.948 982 T HN 0.545 nan 8.240 nan 0.000 0.438 983 W N 3.332 124.539 121.300 -0.155 0.000 2.331 983 W HA 0.583 5.251 4.660 0.013 0.000 0.306 983 W C -0.313 176.071 176.519 -0.225 0.000 1.162 983 W CA -0.743 56.506 57.345 -0.160 0.000 1.232 983 W CB 0.788 30.166 29.460 -0.137 0.000 1.235 983 W HN 0.377 nan 8.180 nan 0.000 0.479 984 L N 5.818 127.015 121.223 -0.043 0.000 2.313 984 L HA 0.506 4.853 4.340 0.013 0.000 0.283 984 L C -0.916 175.850 176.870 -0.173 0.000 1.013 984 L CA -0.412 54.285 54.840 -0.238 0.000 0.816 984 L CB 0.790 42.538 42.059 -0.518 0.000 1.236 984 L HN 0.305 nan 8.230 nan 0.000 0.419 985 N N 6.951 125.544 118.700 -0.177 0.000 2.443 985 N HA 0.467 5.214 4.740 0.013 0.000 0.269 985 N C -1.224 174.150 175.510 -0.228 0.000 0.985 985 N CA -0.237 52.709 53.050 -0.174 0.000 0.921 985 N CB 2.224 40.637 38.487 -0.124 0.000 1.195 985 N HN 0.550 nan 8.380 nan 0.000 0.492 986 I N 1.947 122.338 120.570 -0.300 0.000 2.410 986 I HA 0.239 4.416 4.170 0.013 0.000 0.286 986 I C -0.745 175.193 176.117 -0.299 0.000 1.009 986 I CA -0.562 60.531 61.300 -0.344 0.000 1.111 986 I CB 1.729 39.343 38.000 -0.642 0.000 1.262 986 I HN 0.179 nan 8.210 nan 0.000 0.443 987 D N 4.489 124.750 120.400 -0.233 0.000 2.256 987 D HA 0.292 4.940 4.640 0.013 0.000 0.246 987 D C 0.961 176.956 176.300 -0.508 0.000 1.042 987 D CA -0.255 53.536 54.000 -0.348 0.000 0.841 987 D CB 2.540 43.237 40.800 -0.172 0.000 1.223 987 D HN 0.695 nan 8.370 nan 0.000 0.470 988 G N 1.010 109.196 108.800 -1.024 0.000 2.403 988 G HA2 -0.016 3.951 3.960 0.013 0.000 0.216 988 G HA3 -0.016 3.951 3.960 0.013 0.000 0.216 988 G C 0.098 174.221 174.900 -1.296 0.000 1.154 988 G CA 0.595 44.936 45.100 -1.265 0.000 0.784 988 G HN 0.373 nan 8.290 nan 0.000 0.538 989 F N -2.114 117.627 119.950 -0.349 0.000 2.601 989 F HA 0.600 5.134 4.527 0.012 0.000 0.309 989 F C -0.557 175.140 175.800 -0.171 0.000 1.089 989 F CA -1.177 56.699 58.000 -0.207 0.000 0.940 989 F CB 2.133 40.934 39.000 -0.332 0.000 1.273 989 F HN 0.033 nan 8.300 nan 0.000 0.450 990 H N 1.811 120.881 119.070 -0.000 0.000 2.865 990 H HA 0.525 5.088 4.556 0.012 0.000 0.362 990 H C -0.825 174.527 175.328 0.039 0.000 1.114 990 H CA -0.876 55.153 56.048 -0.032 0.000 1.208 990 H CB 1.829 31.561 29.762 -0.049 0.000 1.727 990 H HN 0.777 nan 8.280 nan 0.000 0.534 991 M N 3.519 123.077 119.600 -0.071 0.000 2.245 991 M HA 0.277 4.765 4.480 0.013 0.000 0.330 991 M C 0.550 176.961 176.300 0.186 0.000 1.098 991 M CA 0.357 55.675 55.300 0.030 0.000 1.172 991 M CB 0.385 32.902 32.600 -0.139 0.000 1.467 991 M HN 0.832 nan 8.290 nan 0.000 0.454 992 G N 2.821 111.713 108.800 0.154 0.000 2.716 992 G HA2 0.269 4.237 3.960 0.013 0.000 0.251 992 G HA3 0.269 4.237 3.960 0.013 0.000 0.251 992 G C 0.558 175.438 174.900 -0.034 0.000 1.224 992 G CA -0.281 44.842 45.100 0.039 0.000 0.891 992 G HN 0.977 nan 8.290 nan 0.000 0.561 993 I N -2.262 118.233 120.570 -0.125 0.000 3.854 993 I HA 0.437 4.614 4.170 0.013 0.000 0.312 993 I C 1.192 177.231 176.117 -0.130 0.000 1.273 993 I CA 0.400 61.587 61.300 -0.190 0.000 1.298 993 I CB -0.487 37.293 38.000 -0.366 0.000 1.071 993 I HN 0.957 nan 8.210 nan 0.000 0.428 994 G N 1.553 110.300 108.800 -0.088 0.000 2.697 994 G HA2 0.039 4.007 3.960 0.013 0.000 0.240 994 G HA3 0.039 4.007 3.960 0.013 0.000 0.240 994 G C 0.531 175.415 174.900 -0.027 0.000 1.346 994 G CA 0.120 45.204 45.100 -0.026 0.000 0.887 994 G HN 1.313 nan 8.290 nan 0.000 0.569 995 G N -2.513 106.288 108.800 0.001 0.000 2.902 995 G HA2 0.028 3.996 3.960 0.013 0.000 0.215 995 G HA3 0.028 3.996 3.960 0.013 0.000 0.215 995 G C 0.664 175.610 174.900 0.077 0.000 0.976 995 G CA 0.994 46.105 45.100 0.018 0.000 0.794 995 G HN 0.911 nan 8.290 nan 0.000 0.557 996 D N 1.318 121.784 120.400 0.109 0.000 2.190 996 D HA 0.080 4.728 4.640 0.013 0.000 0.200 996 D C 1.005 177.319 176.300 0.024 0.000 0.992 996 D CA 2.072 56.195 54.000 0.205 0.000 0.854 996 D CB 0.147 41.084 40.800 0.227 0.000 0.936 996 D HN 0.785 nan 8.370 nan 0.000 0.462 997 D N -3.211 117.002 120.400 -0.311 0.000 2.643 997 D HA 0.325 4.973 4.640 0.013 0.000 0.283 997 D C -0.854 174.929 176.300 -0.862 0.000 1.242 997 D CA -0.751 52.642 54.000 -1.010 0.000 0.863 997 D CB 0.863 40.484 40.800 -1.964 0.000 1.382 997 D HN -0.309 nan 8.370 nan 0.000 0.444 998 S N -0.596 114.418 115.700 -1.143 0.000 2.661 998 S HA 0.273 4.751 4.470 0.013 0.000 0.245 998 S C -0.696 173.933 174.600 0.048 0.000 1.117 998 S CA -0.679 57.342 58.200 -0.297 0.000 1.091 998 S CB -0.566 62.668 63.200 0.057 0.000 0.887 998 S HN 0.625 nan 8.310 nan 0.000 0.491 999 W N 0.346 121.570 121.300 -0.126 0.000 1.807 999 W HA 0.462 5.129 4.660 0.012 0.000 0.251 999 W C -0.045 176.418 176.519 -0.094 0.000 0.848 999 W CA -0.340 56.938 57.345 -0.111 0.000 1.157 999 W CB -0.406 28.925 29.460 -0.216 0.000 0.992 999 W HN 0.197 nan 8.180 nan 0.000 0.506 1000 S N -0.504 115.065 115.700 -0.218 0.000 2.541 1000 S HA 0.616 5.093 4.470 0.013 0.000 0.271 1000 S C -2.995 171.532 174.600 -0.120 0.000 1.133 1000 S CA -1.698 56.435 58.200 -0.111 0.000 0.876 1000 S CB 1.806 64.978 63.200 -0.048 0.000 1.105 1000 S HN -0.219 nan 8.310 nan 0.000 0.470 1001 P HA 0.084 nan 4.420 nan 0.000 0.260 1001 P C 0.417 177.758 177.300 0.067 0.000 1.172 1001 P CA 0.226 63.327 63.100 0.002 0.000 0.760 1001 P CB 0.396 31.964 31.700 -0.220 0.000 0.773 1002 S N 0.593 116.375 115.700 0.136 0.000 2.847 1002 S HA 0.154 4.631 4.470 0.013 0.000 0.254 1002 S C 0.166 174.850 174.600 0.141 0.000 1.039 1002 S CA -0.359 57.893 58.200 0.086 0.000 1.113 1002 S CB -0.252 62.946 63.200 -0.004 0.000 1.092 1002 S HN 0.117 nan 8.310 nan 0.000 0.620 1003 V N 2.712 122.761 119.914 0.225 0.000 2.488 1003 V HA 0.407 4.534 4.120 0.013 0.000 0.277 1003 V C 0.814 177.063 176.094 0.258 0.000 1.046 1003 V CA -0.303 62.114 62.300 0.196 0.000 0.986 1003 V CB 1.114 33.002 31.823 0.108 0.000 0.989 1003 V HN 0.503 nan 8.190 nan 0.000 0.475 1004 S N 3.757 119.623 115.700 0.275 0.000 2.579 1004 S HA 0.346 4.824 4.470 0.013 0.000 0.275 1004 S C 1.527 176.274 174.600 0.245 0.000 1.345 1004 S CA 0.077 58.430 58.200 0.255 0.000 1.031 1004 S CB 1.218 64.605 63.200 0.312 0.000 0.892 1004 S HN 0.985 nan 8.310 nan 0.000 0.529 1005 A N 3.045 125.964 122.820 0.165 0.000 1.948 1005 A HA -0.145 4.183 4.320 0.013 0.000 0.220 1005 A C 1.989 179.609 177.584 0.059 0.000 1.177 1005 A CA 1.864 53.982 52.037 0.135 0.000 0.636 1005 A CB -0.706 18.349 19.000 0.091 0.000 0.815 1005 A HN 0.951 nan 8.150 nan 0.000 0.449 1006 E N -0.864 119.308 120.200 -0.047 0.000 2.409 1006 E HA -0.130 4.227 4.350 0.013 0.000 0.198 1006 E C 0.742 177.110 176.600 -0.387 0.000 1.024 1006 E CA 0.802 57.053 56.400 -0.249 0.000 0.861 1006 E CB -0.442 29.013 29.700 -0.408 0.000 0.788 1006 E HN 0.688 nan 8.360 nan 0.000 0.521 1007 F N 1.026 121.029 119.950 0.088 0.000 2.661 1007 F HA 0.268 4.803 4.527 0.012 0.000 0.306 1007 F C 0.898 176.739 175.800 0.069 0.000 1.094 1007 F CA -0.522 57.531 58.000 0.088 0.000 1.254 1007 F CB 0.557 39.609 39.000 0.085 0.000 1.040 1007 F HN -0.193 nan 8.300 nan 0.000 0.562 1008 Q N 1.272 121.186 119.800 0.190 0.000 2.259 1008 Q HA 0.378 4.726 4.340 0.013 0.000 0.246 1008 Q C -0.180 175.865 176.000 0.074 0.000 0.920 1008 Q CA -0.447 55.447 55.803 0.151 0.000 0.895 1008 Q CB 1.756 30.669 28.738 0.293 0.000 1.220 1008 Q HN 0.251 nan 8.270 nan 0.000 0.439 1009 L N 2.503 123.758 121.223 0.054 0.000 2.399 1009 L HA 0.100 4.448 4.340 0.013 0.000 0.257 1009 L C 0.662 177.520 176.870 -0.020 0.000 1.236 1009 L CA -0.038 54.828 54.840 0.043 0.000 1.144 1009 L CB -0.278 41.707 42.059 -0.124 0.000 1.379 1009 L HN 0.696 nan 8.230 nan 0.000 0.414 1010 S N -1.075 114.509 115.700 -0.192 0.000 2.554 1010 S HA 0.145 4.622 4.470 0.013 0.000 0.226 1010 S C 1.596 176.100 174.600 -0.160 0.000 0.980 1010 S CA 0.179 58.083 58.200 -0.493 0.000 0.939 1010 S CB 0.726 63.510 63.200 -0.693 0.000 0.832 1010 S HN 0.505 nan 8.310 nan 0.000 0.486 1011 A N 1.338 124.090 122.820 -0.114 0.000 2.172 1011 A HA 0.475 4.803 4.320 0.013 0.000 0.216 1011 A C 2.071 179.480 177.584 -0.291 0.000 1.154 1011 A CA 1.097 52.944 52.037 -0.316 0.000 0.701 1011 A CB -1.248 17.356 19.000 -0.659 0.000 0.789 1011 A HN 1.450 nan 8.150 nan 0.000 0.465 1012 G N -1.054 107.673 108.800 -0.121 0.000 2.640 1012 G HA2 -0.309 3.659 3.960 0.013 0.000 0.226 1012 G HA3 -0.309 3.659 3.960 0.013 0.000 0.226 1012 G C 0.467 175.351 174.900 -0.027 0.000 1.222 1012 G CA 0.448 45.539 45.100 -0.016 0.000 0.729 1012 G HN 0.684 nan 8.290 nan 0.000 0.516 1013 R N -0.410 119.958 120.500 -0.220 0.000 2.534 1013 R HA 0.689 5.036 4.340 0.013 0.000 0.301 1013 R C -1.524 174.547 176.300 -0.381 0.000 0.961 1013 R CA -0.567 55.452 56.100 -0.135 0.000 0.871 1013 R CB 1.497 31.753 30.300 -0.074 0.000 1.170 1013 R HN 0.277 nan 8.270 nan 0.000 0.446 1014 Y N 0.526 120.823 120.300 -0.005 0.000 2.442 1014 Y HA 0.304 4.861 4.550 0.012 0.000 0.344 1014 Y C -0.393 175.650 175.900 0.239 0.000 0.976 1014 Y CA -0.846 57.214 58.100 -0.067 0.000 1.040 1014 Y CB 2.104 40.416 38.460 -0.247 0.000 1.228 1014 Y HN 0.584 nan 8.280 nan 0.000 0.451 1015 H N 3.246 122.581 119.070 0.441 0.000 2.538 1015 H HA 0.627 5.190 4.556 0.013 0.000 0.353 1015 H C -1.648 174.084 175.328 0.673 0.000 1.109 1015 H CA -0.931 55.375 56.048 0.430 0.000 1.192 1015 H CB 1.158 31.072 29.762 0.252 0.000 1.555 1015 H HN 0.579 nan 8.280 nan 0.000 0.518 1016 Y N 1.299 121.346 120.300 -0.423 0.000 2.656 1016 Y HA 0.448 5.006 4.550 0.013 0.000 0.334 1016 Y C -2.118 173.566 175.900 -0.359 0.000 1.179 1016 Y CA -1.134 56.804 58.100 -0.269 0.000 1.050 1016 Y CB 1.334 39.765 38.460 -0.048 0.000 1.308 1016 Y HN 0.724 nan 8.280 nan 0.000 0.456 1017 Q N 3.018 122.805 119.800 -0.022 0.000 2.340 1017 Q HA 0.772 5.119 4.340 0.013 0.000 0.276 1017 Q C -2.090 173.992 176.000 0.136 0.000 1.048 1017 Q CA -1.047 54.742 55.803 -0.023 0.000 0.832 1017 Q CB 3.274 32.044 28.738 0.053 0.000 1.373 1017 Q HN 0.838 nan 8.270 nan 0.000 0.409 1018 L N 0.934 122.225 121.223 0.112 0.000 2.393 1018 L HA 0.754 5.102 4.340 0.013 0.000 0.260 1018 L C -0.868 176.116 176.870 0.190 0.000 1.002 1018 L CA -1.336 53.607 54.840 0.171 0.000 0.818 1018 L CB 2.556 44.696 42.059 0.136 0.000 1.369 1018 L HN 0.434 nan 8.230 nan 0.000 0.412 1019 V N 0.662 120.714 119.914 0.230 0.000 2.409 1019 V HA 0.381 4.508 4.120 0.013 0.000 0.291 1019 V C -1.202 175.067 176.094 0.291 0.000 1.020 1019 V CA -0.398 62.046 62.300 0.239 0.000 0.848 1019 V CB 1.975 33.913 31.823 0.193 0.000 0.990 1019 V HN 0.613 nan 8.190 nan 0.000 0.430 1020 W N 7.128 128.490 121.300 0.103 0.000 2.417 1020 W HA 0.719 5.386 4.660 0.013 0.000 0.315 1020 W C -0.264 176.260 176.519 0.008 0.000 1.045 1020 W CA -1.182 56.144 57.345 -0.031 0.000 1.221 1020 W CB 1.420 30.926 29.460 0.077 0.000 1.309 1020 W HN 0.859 nan 8.180 nan 0.000 0.453 1021 C N 4.320 123.856 119.300 0.393 0.000 3.236 1021 C HA 0.804 5.271 4.460 0.013 0.000 0.312 1021 C C -0.691 174.414 174.990 0.191 0.000 1.374 1021 C CA -0.865 58.310 59.018 0.262 0.000 1.455 1021 C CB 1.509 29.353 27.740 0.175 0.000 1.834 1021 C HN 0.676 nan 8.230 nan 0.000 0.460 1022 Q N 2.105 121.973 119.800 0.113 0.000 2.368 1022 Q HA 0.806 5.153 4.340 0.013 0.000 0.263 1022 Q C -0.503 175.493 176.000 -0.007 0.000 1.009 1022 Q CA 0.210 56.026 55.803 0.021 0.000 0.818 1022 Q CB 0.643 29.366 28.738 -0.026 0.000 1.239 1022 Q HN 0.981 nan 8.270 nan 0.000 0.464 1023 K N 0.000 120.378 120.400 -0.036 0.000 2.780 1023 K HA 0.000 4.328 4.320 0.013 0.000 0.191 1023 K CA 0.000 56.269 56.287 -0.031 0.000 0.838 1023 K CB 0.000 32.485 32.500 -0.024 0.000 1.064 1023 K HN 0.000 nan 8.250 nan 0.000 0.543