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 1jz8_1_C 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 0.000 176.083 176.300 -0.361 0.000 0.893 13 R CA 0.000 55.959 56.100 -0.235 0.000 0.921 13 R CB 0.000 30.164 30.300 -0.227 0.000 0.687 14 R N 1.896 122.070 120.500 -0.544 0.000 3.158 14 R HA -0.167 4.190 4.340 0.027 0.000 0.244 14 R C -0.216 175.533 176.300 -0.918 0.000 0.900 14 R CA 0.829 56.207 56.100 -1.203 0.000 0.618 14 R CB -1.159 28.598 30.300 -0.906 0.000 1.061 14 R HN 0.252 nan 8.270 nan 0.000 0.471 15 D N -0.112 119.927 120.400 -0.602 0.000 2.263 15 D HA -0.172 4.485 4.640 0.027 0.000 0.208 15 D C 1.597 177.788 176.300 -0.182 0.000 0.971 15 D CA 1.595 55.341 54.000 -0.424 0.000 0.867 15 D CB -0.115 40.261 40.800 -0.706 0.000 0.929 15 D HN 0.734 nan 8.370 nan 0.000 0.492 16 W N 1.224 122.539 121.300 0.026 0.000 3.204 16 W HA 0.201 4.877 4.660 0.027 0.000 0.249 16 W C 0.432 177.050 176.519 0.165 0.000 1.322 16 W CA -0.265 57.203 57.345 0.205 0.000 1.593 16 W CB -0.239 29.391 29.460 0.284 0.000 1.122 16 W HN -0.194 nan 8.180 nan 0.000 0.710 17 E N 1.263 121.334 120.200 -0.215 0.000 3.385 17 E HA 0.055 4.421 4.350 0.027 0.000 0.206 17 E C -0.762 175.698 176.600 -0.234 0.000 0.997 17 E CA -0.211 56.100 56.400 -0.148 0.000 1.278 17 E CB -0.185 29.421 29.700 -0.156 0.000 1.165 17 E HN 0.029 nan 8.360 nan 0.000 0.452 18 N N 1.068 119.659 118.700 -0.183 0.000 2.629 18 N HA 0.126 4.882 4.740 0.027 0.000 0.277 18 N C -2.439 172.927 175.510 -0.239 0.000 1.188 18 N CA -1.777 51.128 53.050 -0.242 0.000 0.835 18 N CB 1.485 39.840 38.487 -0.219 0.000 1.420 18 N HN -0.160 nan 8.380 nan 0.000 0.542 19 P HA 0.105 nan 4.420 nan 0.000 0.237 19 P C 1.106 178.169 177.300 -0.395 0.000 1.178 19 P CA 0.504 63.277 63.100 -0.545 0.000 0.766 19 P CB 0.130 31.016 31.700 -1.357 0.000 0.876 20 G N -0.396 108.212 108.800 -0.320 0.000 2.650 20 G HA2 0.045 4.022 3.960 0.027 0.000 0.214 20 G HA3 0.045 4.022 3.960 0.027 0.000 0.214 20 G C 0.263 175.083 174.900 -0.133 0.000 1.136 20 G CA 0.210 45.178 45.100 -0.219 0.000 0.789 20 G HN 0.220 nan 8.290 nan 0.000 0.536 21 V N 1.462 121.315 119.914 -0.102 0.000 2.357 21 V HA 0.281 4.418 4.120 0.027 0.000 0.281 21 V C 0.779 176.927 176.094 0.090 0.000 1.015 21 V CA 0.056 62.347 62.300 -0.015 0.000 0.827 21 V CB 1.324 33.117 31.823 -0.050 0.000 1.018 21 V HN 0.316 nan 8.190 nan 0.000 0.432 22 T N 0.644 115.245 114.554 0.079 0.000 3.054 22 T HA 0.359 4.726 4.350 0.027 0.000 0.255 22 T C 0.236 174.986 174.700 0.083 0.000 1.035 22 T CA 0.056 62.211 62.100 0.092 0.000 0.941 22 T CB 0.253 69.127 68.868 0.011 0.000 1.026 22 T HN 0.697 nan 8.240 nan 0.000 0.533 23 Q N 0.218 120.114 119.800 0.160 0.000 2.721 23 Q HA 0.666 5.023 4.340 0.027 0.000 0.282 23 Q C -2.249 173.887 176.000 0.226 0.000 0.932 23 Q CA -1.017 54.871 55.803 0.141 0.000 0.816 23 Q CB 0.862 29.602 28.738 0.004 0.000 1.506 23 Q HN 0.221 nan 8.270 nan 0.000 0.399 24 L N 1.923 123.309 121.223 0.271 0.000 2.438 24 L HA 0.613 4.969 4.340 0.027 0.000 0.270 24 L C -0.551 176.445 176.870 0.210 0.000 0.972 24 L CA -0.910 54.089 54.840 0.265 0.000 0.831 24 L CB 1.927 44.253 42.059 0.446 0.000 1.273 24 L HN 0.864 nan 8.230 nan 0.000 0.405 25 N N 0.903 119.696 118.700 0.155 0.000 2.741 25 N HA -0.205 4.552 4.740 0.027 0.000 0.251 25 N C 0.159 175.756 175.510 0.144 0.000 1.112 25 N CA 0.822 53.952 53.050 0.134 0.000 0.750 25 N CB -0.800 37.723 38.487 0.061 0.000 1.119 25 N HN 0.657 nan 8.380 nan 0.000 0.561 26 R N 0.768 121.277 120.500 0.014 0.000 2.490 26 R HA 0.426 4.782 4.340 0.027 0.000 0.278 26 R C 0.471 176.641 176.300 -0.216 0.000 1.069 26 R CA -0.340 55.558 56.100 -0.336 0.000 1.080 26 R CB 0.567 30.659 30.300 -0.347 0.000 1.030 26 R HN 0.124 nan 8.270 nan 0.000 0.491 27 L N 2.785 123.847 121.223 -0.268 0.000 2.439 27 L HA 0.364 4.720 4.340 0.027 0.000 0.261 27 L C 0.603 177.426 176.870 -0.079 0.000 1.153 27 L CA -0.697 54.080 54.840 -0.106 0.000 0.808 27 L CB 1.064 43.091 42.059 -0.055 0.000 1.126 27 L HN 0.784 nan 8.230 nan 0.000 0.460 28 A N 1.328 124.143 122.820 -0.009 0.000 2.507 28 A HA 0.466 4.803 4.320 0.027 0.000 0.235 28 A C 0.310 177.904 177.584 0.016 0.000 1.070 28 A CA 0.141 52.181 52.037 0.004 0.000 0.768 28 A CB 0.119 19.146 19.000 0.046 0.000 1.011 28 A HN 0.800 nan 8.150 nan 0.000 0.502 29 A N 0.967 123.751 122.820 -0.060 0.000 2.287 29 A HA 0.732 5.069 4.320 0.027 0.000 0.273 29 A C 0.079 177.576 177.584 -0.144 0.000 1.091 29 A CA 0.474 52.399 52.037 -0.186 0.000 0.817 29 A CB 0.052 18.938 19.000 -0.190 0.000 1.069 29 A HN 2.042 nan 8.150 nan 0.000 0.492 30 H N -3.241 115.678 119.070 -0.250 0.000 2.921 30 H HA 0.581 5.153 4.556 0.027 0.000 0.287 30 H C -3.439 171.608 175.328 -0.468 0.000 1.434 30 H CA -1.587 54.248 56.048 -0.355 0.000 1.178 30 H CB -0.022 29.410 29.762 -0.550 0.000 1.836 30 H HN 0.388 nan 8.280 nan 0.000 0.495 31 P HA 0.245 nan 4.420 nan 0.000 0.275 31 P C -2.599 174.545 177.300 -0.259 0.000 1.266 31 P CA -1.493 61.407 63.100 -0.333 0.000 0.793 31 P CB -0.150 31.276 31.700 -0.458 0.000 1.074 32 P HA 0.049 nan 4.420 nan 0.000 0.260 32 P C -0.876 176.620 177.300 0.327 0.000 1.185 32 P CA 1.080 64.222 63.100 0.069 0.000 0.763 32 P CB -0.130 31.643 31.700 0.123 0.000 0.776 33 F N 1.855 121.916 119.950 0.185 0.000 2.556 33 F HA 0.649 5.193 4.527 0.028 0.000 0.327 33 F C 0.933 176.672 175.800 -0.101 0.000 1.059 33 F CA -1.507 56.546 58.000 0.088 0.000 0.953 33 F CB 1.392 40.399 39.000 0.010 0.000 1.227 33 F HN 0.288 nan 8.300 nan 0.000 0.478 34 A N -0.072 122.687 122.820 -0.103 0.000 2.664 34 A HA 0.325 4.662 4.320 0.027 0.000 0.222 34 A C 0.594 177.895 177.584 -0.472 0.000 1.320 34 A CA 0.606 52.347 52.037 -0.493 0.000 1.029 34 A CB -0.321 17.885 19.000 -1.323 0.000 1.318 34 A HN 0.841 nan 8.150 nan 0.000 0.589 35 S N 0.599 116.138 115.700 -0.269 0.000 3.524 35 S HA -0.149 4.338 4.470 0.027 0.000 0.377 35 S C 0.034 174.577 174.600 -0.095 0.000 0.949 35 S CA 0.440 58.538 58.200 -0.169 0.000 1.264 35 S CB -1.531 61.569 63.200 -0.167 0.000 0.918 35 S HN 0.469 nan 8.310 nan 0.000 0.517 36 W N 1.769 123.051 121.300 -0.031 0.000 2.158 36 W HA 0.228 4.904 4.660 0.027 0.000 0.339 36 W C 1.351 177.849 176.519 -0.035 0.000 1.294 36 W CA -0.520 56.811 57.345 -0.022 0.000 1.231 36 W CB 0.233 29.680 29.460 -0.022 0.000 1.143 36 W HN 0.334 nan 8.180 nan 0.000 0.571 37 R N 1.934 122.565 120.500 0.219 0.000 2.613 37 R HA 0.093 4.450 4.340 0.027 0.000 0.361 37 R C -0.125 176.230 176.300 0.091 0.000 1.072 37 R CA -0.132 56.034 56.100 0.110 0.000 1.089 37 R CB -0.197 30.136 30.300 0.055 0.000 1.343 37 R HN 0.370 nan 8.270 nan 0.000 0.571 38 N N -0.006 118.762 118.700 0.113 0.000 2.454 38 N HA 0.112 4.869 4.740 0.027 0.000 0.291 38 N C -0.208 175.268 175.510 -0.057 0.000 1.079 38 N CA -0.013 53.053 53.050 0.025 0.000 0.893 38 N CB 1.843 40.349 38.487 0.031 0.000 1.512 38 N HN -0.249 nan 8.380 nan 0.000 0.497 39 S N 2.246 117.893 115.700 -0.088 0.000 2.406 39 S HA -0.135 4.352 4.470 0.027 0.000 0.228 39 S C 1.404 175.835 174.600 -0.282 0.000 1.020 39 S CA 0.905 59.008 58.200 -0.160 0.000 0.965 39 S CB 0.042 63.181 63.200 -0.101 0.000 0.798 39 S HN 0.758 nan 8.310 nan 0.000 0.488 40 E N 1.952 122.007 120.200 -0.243 0.000 2.150 40 E HA -0.128 4.238 4.350 0.027 0.000 0.193 40 E C 1.717 178.094 176.600 -0.371 0.000 0.985 40 E CA 1.257 57.473 56.400 -0.307 0.000 0.814 40 E CB -0.223 29.353 29.700 -0.205 0.000 0.752 40 E HN 0.564 nan 8.360 nan 0.000 0.466 41 E N -0.073 119.915 120.200 -0.352 0.000 2.077 41 E HA -0.175 4.192 4.350 0.027 0.000 0.193 41 E C 2.018 178.021 176.600 -0.995 0.000 0.989 41 E CA 1.038 57.177 56.400 -0.434 0.000 0.800 41 E CB -0.217 29.370 29.700 -0.188 0.000 0.746 41 E HN 0.409 nan 8.360 nan 0.000 0.452 42 A N 1.462 123.479 122.820 -1.340 0.000 1.930 42 A HA -0.188 4.148 4.320 0.027 0.000 0.217 42 A C 2.087 179.084 177.584 -0.979 0.000 1.175 42 A CA 1.332 52.246 52.037 -1.871 0.000 0.627 42 A CB -0.406 17.979 19.000 -1.024 0.000 0.815 42 A HN 0.075 nan 8.150 nan 0.000 0.443 43 R N -0.120 119.975 120.500 -0.673 0.000 2.081 43 R HA -0.118 4.238 4.340 0.027 0.000 0.235 43 R C 1.730 177.769 176.300 -0.435 0.000 1.131 43 R CA 1.978 57.735 56.100 -0.573 0.000 0.960 43 R CB -0.343 29.481 30.300 -0.795 0.000 0.856 43 R HN 0.601 nan 8.270 nan 0.000 0.436 44 T N -2.753 111.561 114.554 -0.399 0.000 3.122 44 T HA 0.088 4.454 4.350 0.027 0.000 0.250 44 T C 0.108 174.727 174.700 -0.135 0.000 1.067 44 T CA 0.315 62.274 62.100 -0.235 0.000 0.966 44 T CB 0.177 68.931 68.868 -0.190 0.000 1.002 44 T HN 0.307 nan 8.240 nan 0.000 0.542 45 D N 0.989 121.282 120.400 -0.178 0.000 2.800 45 D HA -0.155 4.501 4.640 0.027 0.000 0.232 45 D C 0.001 176.439 176.300 0.230 0.000 1.137 45 D CA 0.402 54.459 54.000 0.094 0.000 0.718 45 D CB -1.220 39.664 40.800 0.140 0.000 1.084 45 D HN 0.586 nan 8.370 nan 0.000 0.432 46 R N 0.155 120.758 120.500 0.172 0.000 2.615 46 R HA 0.496 4.853 4.340 0.027 0.000 0.270 46 R C -2.055 174.494 176.300 0.416 0.000 1.081 46 R CA -1.260 54.974 56.100 0.222 0.000 1.154 46 R CB 0.297 30.667 30.300 0.117 0.000 1.063 46 R HN 0.066 nan 8.270 nan 0.000 0.519 47 P HA -0.044 nan 4.420 nan 0.000 0.267 47 P C -0.914 176.532 177.300 0.244 0.000 1.200 47 P CA 0.221 63.450 63.100 0.216 0.000 0.772 47 P CB 0.834 32.616 31.700 0.137 0.000 0.855 48 S N 1.392 117.122 115.700 0.050 0.000 2.451 48 S HA 0.119 4.606 4.470 0.027 0.000 0.301 48 S C 0.990 175.600 174.600 0.017 0.000 1.116 48 S CA -0.572 57.592 58.200 -0.060 0.000 1.093 48 S CB 0.493 63.330 63.200 -0.605 0.000 1.017 48 S HN 0.294 nan 8.310 nan 0.000 0.482 49 Q N 2.702 122.550 119.800 0.081 0.000 2.364 49 Q HA -0.100 4.256 4.340 0.027 0.000 0.207 49 Q C 0.805 176.924 176.000 0.199 0.000 0.970 49 Q CA 1.079 56.964 55.803 0.136 0.000 0.888 49 Q CB -0.062 28.762 28.738 0.144 0.000 0.951 49 Q HN 0.704 nan 8.270 nan 0.000 0.469 50 Q N 0.023 119.856 119.800 0.054 0.000 2.403 50 Q HA 0.095 4.452 4.340 0.027 0.000 0.203 50 Q C -0.213 175.832 176.000 0.075 0.000 0.932 50 Q CA 0.251 56.031 55.803 -0.038 0.000 0.945 50 Q CB 0.412 29.043 28.738 -0.178 0.000 1.045 50 Q HN 0.077 nan 8.270 nan 0.000 0.511 51 L N 0.680 121.955 121.223 0.087 0.000 2.353 51 L HA 0.422 4.779 4.340 0.027 0.000 0.270 51 L C -1.177 175.769 176.870 0.127 0.000 1.003 51 L CA -0.327 54.564 54.840 0.085 0.000 0.862 51 L CB 0.945 42.968 42.059 -0.060 0.000 1.221 51 L HN -0.141 nan 8.230 nan 0.000 0.430 52 R N 2.444 123.058 120.500 0.189 0.000 2.532 52 R HA 0.562 4.918 4.340 0.027 0.000 0.295 52 R C -0.454 175.865 176.300 0.032 0.000 0.968 52 R CA -0.658 55.500 56.100 0.097 0.000 0.916 52 R CB 1.960 32.283 30.300 0.038 0.000 1.124 52 R HN 0.648 nan 8.270 nan 0.000 0.463 53 S N 2.162 117.872 115.700 0.016 0.000 2.525 53 S HA 0.262 4.749 4.470 0.027 0.000 0.278 53 S C 0.709 175.302 174.600 -0.012 0.000 1.234 53 S CA -0.613 57.587 58.200 0.001 0.000 1.058 53 S CB 0.534 63.747 63.200 0.021 0.000 0.983 53 S HN 0.546 nan 8.310 nan 0.000 0.495 54 L N 3.595 124.808 121.223 -0.016 0.000 2.769 54 L HA 0.281 4.638 4.340 0.027 0.000 0.240 54 L C 0.247 177.259 176.870 0.237 0.000 1.163 54 L CA -0.345 54.504 54.840 0.015 0.000 0.962 54 L CB -0.291 41.711 42.059 -0.094 0.000 1.258 54 L HN 0.514 nan 8.230 nan 0.000 0.513 55 N N 1.164 119.952 118.700 0.147 0.000 2.415 55 N HA 0.450 5.206 4.740 0.027 0.000 0.248 55 N C 0.703 176.344 175.510 0.218 0.000 1.271 55 N CA 1.064 54.214 53.050 0.167 0.000 0.913 55 N CB 1.163 39.680 38.487 0.050 0.000 1.129 55 N HN 0.281 nan 8.380 nan 0.000 0.444 56 G N 0.257 109.198 108.800 0.236 0.000 2.225 56 G HA2 -0.100 3.876 3.960 0.027 0.000 0.203 56 G HA3 -0.100 3.876 3.960 0.027 0.000 0.203 56 G C -1.489 173.611 174.900 0.334 0.000 1.335 56 G CA -0.763 44.466 45.100 0.214 0.000 1.183 56 G HN 0.481 nan 8.290 nan 0.000 0.488 57 E N -0.020 120.350 120.200 0.283 0.000 2.229 57 E HA 0.502 4.869 4.350 0.027 0.000 0.283 57 E C -0.953 175.899 176.600 0.420 0.000 1.030 57 E CA -0.240 56.349 56.400 0.314 0.000 0.836 57 E CB 1.146 30.951 29.700 0.175 0.000 1.068 57 E HN 0.372 nan 8.360 nan 0.000 0.401 58 W N 1.475 122.864 121.300 0.149 0.000 2.894 58 W HA 0.417 5.093 4.660 0.028 0.000 0.345 58 W C 0.023 176.672 176.519 0.216 0.000 1.152 58 W CA -0.730 56.735 57.345 0.200 0.000 1.089 58 W CB 0.791 30.428 29.460 0.296 0.000 1.454 58 W HN 0.180 nan 8.180 nan 0.000 0.589 59 R N 1.478 122.272 120.500 0.491 0.000 2.407 59 R HA 0.588 4.944 4.340 0.027 0.000 0.303 59 R C -1.510 175.050 176.300 0.433 0.000 0.981 59 R CA -0.871 55.450 56.100 0.369 0.000 0.905 59 R CB 1.224 31.682 30.300 0.264 0.000 1.099 59 R HN 0.482 nan 8.270 nan 0.000 0.459 60 F N 0.543 120.535 119.950 0.070 0.000 2.581 60 F HA 0.632 5.176 4.527 0.027 0.000 0.311 60 F C -1.555 174.078 175.800 -0.278 0.000 1.113 60 F CA -0.585 57.306 58.000 -0.183 0.000 0.935 60 F CB 1.936 40.731 39.000 -0.342 0.000 1.232 60 F HN 0.621 nan 8.300 nan 0.000 0.445 61 A N 4.488 126.552 122.820 -1.259 0.000 2.414 61 A HA 0.620 4.957 4.320 0.027 0.000 0.306 61 A C -2.392 174.211 177.584 -1.636 0.000 1.054 61 A CA -0.574 50.795 52.037 -1.113 0.000 0.724 61 A CB 0.879 19.488 19.000 -0.651 0.000 1.267 61 A HN 0.956 nan 8.150 nan 0.000 0.418 62 W N 2.247 122.648 121.300 -1.498 0.000 2.520 62 W HA 0.745 5.422 4.660 0.027 0.000 0.323 62 W C -1.824 174.003 176.519 -1.154 0.000 1.062 62 W CA -0.312 56.302 57.345 -1.218 0.000 1.215 62 W CB 1.134 30.170 29.460 -0.708 0.000 1.340 62 W HN 0.504 nan 8.180 nan 0.000 0.516 63 F N 5.630 124.900 119.950 -1.134 0.000 2.613 63 F HA 0.399 4.942 4.527 0.027 0.000 0.314 63 F C -1.377 173.563 175.800 -1.434 0.000 1.075 63 F CA -2.165 55.300 58.000 -0.892 0.000 0.945 63 F CB 1.948 40.565 39.000 -0.638 0.000 1.310 63 F HN 0.186 nan 8.300 nan 0.000 0.467 64 P HA 0.200 nan 4.420 nan 0.000 0.240 64 P C -0.489 176.669 177.300 -0.235 0.000 1.190 64 P CA 0.682 63.494 63.100 -0.480 0.000 0.781 64 P CB 0.910 32.623 31.700 0.021 0.000 0.931 65 A N -0.079 122.620 122.820 -0.203 0.000 2.608 65 A HA 0.524 4.861 4.320 0.027 0.000 0.292 65 A C -2.470 175.008 177.584 -0.177 0.000 1.066 65 A CA -0.979 50.986 52.037 -0.120 0.000 0.676 65 A CB 0.511 19.504 19.000 -0.012 0.000 1.277 65 A HN -0.302 nan 8.150 nan 0.000 0.413 66 P HA -0.082 nan 4.420 nan 0.000 0.220 66 P C 0.711 177.916 177.300 -0.159 0.000 1.148 66 P CA 1.357 64.325 63.100 -0.219 0.000 0.803 66 P CB 0.255 31.786 31.700 -0.281 0.000 0.782 67 E N 0.132 120.293 120.200 -0.066 0.000 2.333 67 E HA -0.069 4.298 4.350 0.027 0.000 0.198 67 E C 1.978 178.501 176.600 -0.129 0.000 1.007 67 E CA 1.217 57.587 56.400 -0.050 0.000 0.845 67 E CB -0.818 28.888 29.700 0.010 0.000 0.766 67 E HN 0.246 nan 8.360 nan 0.000 0.507 68 A N 0.170 122.872 122.820 -0.197 0.000 2.238 68 A HA 0.118 4.455 4.320 0.027 0.000 0.210 68 A C 0.697 177.932 177.584 -0.582 0.000 1.179 68 A CA -0.173 51.723 52.037 -0.236 0.000 0.827 68 A CB 0.372 19.327 19.000 -0.074 0.000 0.856 68 A HN 0.034 nan 8.150 nan 0.000 0.488 69 V N 2.882 122.355 119.914 -0.735 0.000 2.555 69 V HA 0.206 4.342 4.120 0.027 0.000 0.286 69 V C -2.174 173.548 176.094 -0.619 0.000 1.044 69 V CA -1.373 60.245 62.300 -1.137 0.000 1.026 69 V CB 0.733 31.993 31.823 -0.940 0.000 0.981 69 V HN 0.304 nan 8.190 nan 0.000 0.480 70 P HA 0.276 nan 4.420 nan 0.000 0.279 70 P C 0.231 177.459 177.300 -0.120 0.000 1.239 70 P CA -0.423 62.539 63.100 -0.231 0.000 0.789 70 P CB 1.090 32.711 31.700 -0.132 0.000 0.933 71 E N 0.867 121.017 120.200 -0.084 0.000 2.265 71 E HA -0.146 4.221 4.350 0.027 0.000 0.196 71 E C 1.839 178.415 176.600 -0.040 0.000 0.996 71 E CA 1.457 57.819 56.400 -0.063 0.000 0.832 71 E CB -0.739 28.927 29.700 -0.057 0.000 0.756 71 E HN 0.551 nan 8.360 nan 0.000 0.491 72 S N -0.609 115.085 115.700 -0.010 0.000 2.419 72 S HA -0.200 4.287 4.470 0.027 0.000 0.233 72 S C 1.891 176.509 174.600 0.030 0.000 1.016 72 S CA 0.822 59.024 58.200 0.004 0.000 0.974 72 S CB -0.748 62.464 63.200 0.020 0.000 0.786 72 S HN 0.534 nan 8.310 nan 0.000 0.492 73 W N 2.344 123.549 121.300 -0.158 0.000 2.364 73 W HA 0.056 4.733 4.660 0.027 0.000 0.281 73 W C 1.631 178.035 176.519 -0.192 0.000 1.219 73 W CA 0.887 58.139 57.345 -0.156 0.000 1.220 73 W CB -0.349 28.994 29.460 -0.195 0.000 1.127 73 W HN 0.271 nan 8.180 nan 0.000 0.556 74 L N 0.136 121.145 121.223 -0.356 0.000 2.131 74 L HA -0.163 4.194 4.340 0.027 0.000 0.210 74 L C 2.021 178.647 176.870 -0.407 0.000 1.092 74 L CA 1.733 56.193 54.840 -0.634 0.000 0.759 74 L CB -0.626 41.100 42.059 -0.555 0.000 0.903 74 L HN -0.043 nan 8.230 nan 0.000 0.435 75 E N -2.197 117.860 120.200 -0.238 0.000 2.473 75 E HA 0.063 4.430 4.350 0.027 0.000 0.204 75 E C -0.232 176.294 176.600 -0.123 0.000 0.994 75 E CA -0.104 56.205 56.400 -0.152 0.000 0.945 75 E CB 0.905 30.554 29.700 -0.084 0.000 0.990 75 E HN 0.287 nan 8.360 nan 0.000 0.493 76 C N 0.184 119.413 119.300 -0.118 0.000 2.888 76 C HA 0.344 4.820 4.460 0.027 0.000 0.308 76 C C -1.008 173.969 174.990 -0.021 0.000 1.213 76 C CA -1.145 57.837 59.018 -0.060 0.000 1.461 76 C CB 1.037 28.763 27.740 -0.023 0.000 1.934 76 C HN 0.314 nan 8.230 nan 0.000 0.474 77 D N 2.358 122.762 120.400 0.007 0.000 2.472 77 D HA 0.207 4.864 4.640 0.027 0.000 0.237 77 D C -0.310 176.064 176.300 0.123 0.000 1.141 77 D CA 0.524 54.571 54.000 0.080 0.000 0.875 77 D CB 0.607 41.445 40.800 0.064 0.000 1.192 77 D HN 0.537 nan 8.370 nan 0.000 0.450 78 L N 5.722 127.064 121.223 0.198 0.000 2.319 78 L HA 0.225 4.582 4.340 0.027 0.000 0.280 78 L C -1.288 175.643 176.870 0.101 0.000 1.099 78 L CA -1.475 53.460 54.840 0.157 0.000 0.828 78 L CB 1.190 43.352 42.059 0.172 0.000 1.150 78 L HN 0.530 nan 8.230 nan 0.000 0.442 79 P HA -0.143 nan 4.420 nan 0.000 0.220 79 P C 0.693 178.023 177.300 0.050 0.000 1.148 79 P CA 0.955 64.088 63.100 0.056 0.000 0.803 79 P CB 0.243 31.968 31.700 0.042 0.000 0.782 80 E N -0.179 120.047 120.200 0.044 0.000 2.418 80 E HA 0.112 4.479 4.350 0.027 0.000 0.197 80 E C 1.086 177.697 176.600 0.018 0.000 1.026 80 E CA 0.210 56.625 56.400 0.024 0.000 0.862 80 E CB -0.877 28.825 29.700 0.003 0.000 0.799 80 E HN 0.191 nan 8.360 nan 0.000 0.518 81 A N 1.262 124.101 122.820 0.033 0.000 2.409 81 A HA 0.120 4.456 4.320 0.027 0.000 0.246 81 A C 0.054 177.687 177.584 0.083 0.000 1.099 81 A CA -0.127 51.927 52.037 0.028 0.000 0.789 81 A CB 0.265 19.308 19.000 0.072 0.000 1.053 81 A HN -0.016 nan 8.150 nan 0.000 0.503 82 D N -0.585 119.896 120.400 0.135 0.000 2.340 82 D HA 0.493 5.149 4.640 0.027 0.000 0.243 82 D C -0.642 175.773 176.300 0.191 0.000 0.988 82 D CA -0.009 54.095 54.000 0.173 0.000 0.959 82 D CB 1.375 42.328 40.800 0.256 0.000 1.226 82 D HN 0.399 nan 8.370 nan 0.000 0.509 83 T N 0.555 115.201 114.554 0.154 0.000 2.743 83 T HA 0.494 4.860 4.350 0.027 0.000 0.293 83 T C 0.191 174.978 174.700 0.145 0.000 0.945 83 T CA -0.542 61.656 62.100 0.164 0.000 1.030 83 T CB 0.662 69.602 68.868 0.120 0.000 0.912 83 T HN 0.274 nan 8.240 nan 0.000 0.483 84 V N 1.131 121.161 119.914 0.194 0.000 3.130 84 V HA 0.789 4.925 4.120 0.027 0.000 0.310 84 V C -0.316 175.887 176.094 0.182 0.000 1.158 84 V CA -1.076 61.292 62.300 0.114 0.000 1.029 84 V CB 1.662 33.563 31.823 0.130 0.000 1.057 84 V HN 0.520 nan 8.190 nan 0.000 0.436 85 V N 2.020 122.015 119.914 0.134 0.000 2.649 85 V HA 0.531 4.668 4.120 0.027 0.000 0.292 85 V C 0.027 176.201 176.094 0.133 0.000 1.055 85 V CA -0.057 62.329 62.300 0.144 0.000 1.023 85 V CB 1.471 33.346 31.823 0.088 0.000 0.992 85 V HN 0.765 nan 8.190 nan 0.000 0.480 86 V N 6.725 126.637 119.914 -0.003 0.000 2.656 86 V HA 0.461 4.598 4.120 0.027 0.000 0.307 86 V C -2.308 173.674 176.094 -0.187 0.000 1.051 86 V CA -1.692 60.463 62.300 -0.241 0.000 0.893 86 V CB 2.495 33.807 31.823 -0.852 0.000 0.999 86 V HN 0.763 nan 8.190 nan 0.000 0.426 87 P HA 0.449 nan 4.420 nan 0.000 0.277 87 P C -0.862 176.369 177.300 -0.116 0.000 1.240 87 P CA -0.131 62.848 63.100 -0.202 0.000 0.798 87 P CB 1.290 32.885 31.700 -0.175 0.000 0.979 88 S N 0.178 115.820 115.700 -0.097 0.000 2.578 88 S HA 0.385 4.872 4.470 0.027 0.000 0.272 88 S C -1.252 173.278 174.600 -0.117 0.000 1.145 88 S CA -1.053 57.075 58.200 -0.120 0.000 0.835 88 S CB 0.382 63.452 63.200 -0.217 0.000 1.104 88 S HN 0.341 nan 8.310 nan 0.000 0.458 89 N N 1.010 119.583 118.700 -0.211 0.000 2.419 89 N HA 0.432 5.189 4.740 0.027 0.000 0.277 89 N C 0.575 175.911 175.510 -0.290 0.000 1.006 89 N CA -0.832 52.069 53.050 -0.248 0.000 0.923 89 N CB 0.650 38.962 38.487 -0.292 0.000 1.140 89 N HN 0.868 nan 8.380 nan 0.000 0.488 90 W N 2.439 123.605 121.300 -0.222 0.000 2.421 90 W HA -0.070 4.607 4.660 0.028 0.000 0.270 90 W C 0.990 177.482 176.519 -0.045 0.000 1.233 90 W CA 0.645 57.858 57.345 -0.219 0.000 1.226 90 W CB -0.356 29.003 29.460 -0.168 0.000 1.121 90 W HN 0.506 nan 8.180 nan 0.000 0.579 91 Q N 0.527 120.311 119.800 -0.027 0.000 2.170 91 Q HA -0.136 4.220 4.340 0.027 0.000 0.203 91 Q C 2.157 178.103 176.000 -0.089 0.000 0.976 91 Q CA 1.893 57.673 55.803 -0.038 0.000 0.858 91 Q CB -0.590 28.007 28.738 -0.236 0.000 0.907 91 Q HN 0.263 nan 8.270 nan 0.000 0.433 92 M N -0.818 118.690 119.600 -0.153 0.000 2.557 92 M HA -0.055 4.442 4.480 0.027 0.000 0.259 92 M C 0.682 177.043 176.300 0.102 0.000 1.086 92 M CA 1.377 56.617 55.300 -0.100 0.000 1.096 92 M CB -0.573 31.950 32.600 -0.129 0.000 1.424 92 M HN 0.385 nan 8.290 nan 0.000 0.488 93 H N -1.028 118.059 119.070 0.028 0.000 2.586 93 H HA 0.291 4.864 4.556 0.028 0.000 0.273 93 H C 1.263 176.475 175.328 -0.194 0.000 0.997 93 H CA 0.123 56.163 56.048 -0.013 0.000 1.177 93 H CB 0.476 30.322 29.762 0.140 0.000 1.471 93 H HN 0.543 nan 8.280 nan 0.000 0.538 94 G N 0.598 109.395 108.800 -0.004 0.000 2.157 94 G HA2 -0.356 3.621 3.960 0.027 0.000 0.248 94 G HA3 -0.356 3.621 3.960 0.027 0.000 0.248 94 G C 0.348 175.103 174.900 -0.241 0.000 0.979 94 G CA 0.289 45.312 45.100 -0.128 0.000 0.650 94 G HN 0.452 nan 8.290 nan 0.000 0.529 95 Y N 1.569 121.871 120.300 0.003 0.000 2.314 95 Y HA 0.275 4.841 4.550 0.027 0.000 0.293 95 Y C 1.643 177.281 175.900 -0.436 0.000 1.129 95 Y CA 1.528 59.499 58.100 -0.214 0.000 1.201 95 Y CB 0.247 38.648 38.460 -0.099 0.000 0.999 95 Y HN 0.643 nan 8.280 nan 0.000 0.541 96 D N -1.901 118.548 120.400 0.081 0.000 2.692 96 D HA 0.490 5.147 4.640 0.027 0.000 0.303 96 D C -1.202 175.176 176.300 0.130 0.000 1.278 96 D CA -0.874 53.170 54.000 0.073 0.000 0.852 96 D CB 0.783 41.746 40.800 0.272 0.000 1.375 96 D HN -0.068 nan 8.370 nan 0.000 0.453 97 A N 0.044 122.950 122.820 0.144 0.000 2.310 97 A HA 0.715 5.051 4.320 0.027 0.000 0.299 97 A C -2.328 175.284 177.584 0.047 0.000 1.147 97 A CA -1.190 50.908 52.037 0.103 0.000 0.818 97 A CB 0.196 19.324 19.000 0.214 0.000 1.096 97 A HN 0.551 nan 8.150 nan 0.000 0.495 98 P HA 0.440 nan 4.420 nan 0.000 0.274 98 P C -0.891 176.576 177.300 0.278 0.000 1.237 98 P CA 0.034 63.089 63.100 -0.074 0.000 0.793 98 P CB 0.834 32.242 31.700 -0.487 0.000 0.977 99 I N 1.712 122.542 120.570 0.434 0.000 2.465 99 I HA 0.251 4.438 4.170 0.027 0.000 0.291 99 I C -0.721 175.561 176.117 0.276 0.000 1.014 99 I CA -0.971 60.563 61.300 0.390 0.000 1.093 99 I CB 1.867 40.037 38.000 0.283 0.000 1.267 99 I HN 0.291 nan 8.210 nan 0.000 0.431 100 Y N 6.091 126.297 120.300 -0.157 0.000 2.478 100 Y HA 0.518 5.084 4.550 0.027 0.000 0.329 100 Y C -0.393 175.343 175.900 -0.273 0.000 0.967 100 Y CA -0.585 57.155 58.100 -0.599 0.000 1.255 100 Y CB 1.177 38.808 38.460 -1.382 0.000 1.103 100 Y HN 0.512 nan 8.280 nan 0.000 0.497 101 T N 5.281 119.335 114.554 -0.833 0.000 2.876 101 T HA 0.261 4.627 4.350 0.027 0.000 0.289 101 T C 0.261 174.487 174.700 -0.790 0.000 1.014 101 T CA -0.578 61.062 62.100 -0.766 0.000 0.986 101 T CB 1.066 69.720 68.868 -0.358 0.000 1.021 101 T HN 0.767 nan 8.240 nan 0.000 0.458 102 N N 2.897 121.168 118.700 -0.715 0.000 2.202 102 N HA 0.035 4.792 4.740 0.027 0.000 0.191 102 N C 1.548 176.795 175.510 -0.439 0.000 1.054 102 N CA 1.548 54.325 53.050 -0.456 0.000 0.877 102 N CB -0.605 37.638 38.487 -0.408 0.000 1.057 102 N HN 0.399 nan 8.380 nan 0.000 0.456 103 V N 0.279 119.868 119.914 -0.541 0.000 2.581 103 V HA 0.117 4.254 4.120 0.027 0.000 0.240 103 V C 0.396 176.187 176.094 -0.505 0.000 1.054 103 V CA 0.787 62.693 62.300 -0.656 0.000 1.076 103 V CB -0.603 30.725 31.823 -0.825 0.000 0.748 103 V HN 0.314 nan 8.190 nan 0.000 0.474 104 T N 1.135 115.458 114.554 -0.387 0.000 2.908 104 T HA 0.124 4.491 4.350 0.027 0.000 0.301 104 T C -0.344 174.228 174.700 -0.213 0.000 1.019 104 T CA 0.296 62.247 62.100 -0.248 0.000 1.152 104 T CB -0.193 68.559 68.868 -0.194 0.000 0.966 104 T HN 0.167 nan 8.240 nan 0.000 0.540 105 Y N 4.765 124.970 120.300 -0.159 0.000 2.550 105 Y HA 0.129 4.695 4.550 0.027 0.000 0.343 105 Y C -0.744 175.030 175.900 -0.209 0.000 1.245 105 Y CA -1.585 56.411 58.100 -0.174 0.000 1.462 105 Y CB 0.410 38.763 38.460 -0.178 0.000 1.340 105 Y HN 0.505 nan 8.280 nan 0.000 0.604 106 P HA 0.008 nan 4.420 nan 0.000 0.245 106 P C -0.365 176.712 177.300 -0.371 0.000 1.212 106 P CA 1.073 64.068 63.100 -0.175 0.000 0.774 106 P CB 0.062 31.701 31.700 -0.103 0.000 0.999 107 I N -5.165 115.161 120.570 -0.407 0.000 3.042 107 I HA 0.487 4.674 4.170 0.027 0.000 0.310 107 I C -0.549 175.432 176.117 -0.227 0.000 1.117 107 I CA -1.237 59.794 61.300 -0.450 0.000 1.003 107 I CB 1.768 39.336 38.000 -0.719 0.000 1.228 107 I HN -0.457 nan 8.210 nan 0.000 0.443 108 T N 2.722 117.187 114.554 -0.149 0.000 2.946 108 T HA 0.126 4.493 4.350 0.027 0.000 0.311 108 T C 0.198 174.881 174.700 -0.029 0.000 1.063 108 T CA -0.174 61.891 62.100 -0.059 0.000 1.139 108 T CB 0.615 69.472 68.868 -0.018 0.000 0.994 108 T HN 0.380 nan 8.240 nan 0.000 0.547 109 V N 4.753 124.665 119.914 -0.003 0.000 2.370 109 V HA 0.251 4.388 4.120 0.027 0.000 0.257 109 V C 0.641 176.775 176.094 0.066 0.000 1.064 109 V CA -0.196 62.119 62.300 0.025 0.000 0.975 109 V CB -0.069 31.755 31.823 0.002 0.000 1.067 109 V HN 0.865 nan 8.190 nan 0.000 0.485 110 N N 6.022 124.816 118.700 0.156 0.000 2.679 110 N HA 0.252 5.008 4.740 0.027 0.000 0.240 110 N C -2.947 172.637 175.510 0.123 0.000 1.537 110 N CA -1.154 51.984 53.050 0.147 0.000 0.793 110 N CB 1.529 40.149 38.487 0.221 0.000 1.391 110 N HN 0.269 nan 8.380 nan 0.000 0.524 111 P HA 0.220 nan 4.420 nan 0.000 0.268 111 P C -2.268 174.815 177.300 -0.361 0.000 1.205 111 P CA -0.737 61.969 63.100 -0.657 0.000 0.771 111 P CB 0.631 31.796 31.700 -0.892 0.000 0.858 112 P HA 0.235 nan 4.420 nan 0.000 0.266 112 P C -0.447 176.754 177.300 -0.166 0.000 1.561 112 P CA -0.272 62.634 63.100 -0.324 0.000 1.089 112 P CB 0.062 31.558 31.700 -0.340 0.000 1.534 113 F N 1.226 121.280 119.950 0.175 0.000 2.380 113 F HA 0.296 4.840 4.527 0.028 0.000 0.325 113 F C 1.364 177.333 175.800 0.281 0.000 1.136 113 F CA -0.587 57.527 58.000 0.190 0.000 1.171 113 F CB 0.660 39.723 39.000 0.105 0.000 1.230 113 F HN -0.198 nan 8.300 nan 0.000 0.554 114 V N -0.984 119.213 119.914 0.471 0.000 3.126 114 V HA 0.722 4.859 4.120 0.027 0.000 0.314 114 V C -2.823 173.431 176.094 0.268 0.000 1.138 114 V CA -2.915 59.579 62.300 0.324 0.000 1.034 114 V CB 1.421 33.484 31.823 0.400 0.000 1.075 114 V HN 0.492 nan 8.190 nan 0.000 0.442 115 P HA 0.201 nan 4.420 nan 0.000 0.267 115 P C 1.048 178.483 177.300 0.225 0.000 1.200 115 P CA 0.573 63.764 63.100 0.151 0.000 0.772 115 P CB 0.589 32.349 31.700 0.099 0.000 0.855 116 T N -1.730 112.926 114.554 0.170 0.000 2.904 116 T HA -0.061 4.305 4.350 0.027 0.000 0.267 116 T C 0.636 175.440 174.700 0.173 0.000 1.059 116 T CA 0.842 63.048 62.100 0.177 0.000 1.137 116 T CB -0.362 68.578 68.868 0.120 0.000 0.879 116 T HN 0.250 nan 8.240 nan 0.000 0.467 117 E N 3.182 123.484 120.200 0.169 0.000 1.932 117 E HA 0.278 4.644 4.350 0.027 0.000 0.275 117 E C -0.738 176.013 176.600 0.251 0.000 1.159 117 E CA -0.083 56.423 56.400 0.177 0.000 0.905 117 E CB 0.252 30.063 29.700 0.186 0.000 1.059 117 E HN 0.387 nan 8.360 nan 0.000 0.400 118 N N 3.961 122.783 118.700 0.204 0.000 2.623 118 N HA 0.253 5.010 4.740 0.027 0.000 0.256 118 N C -2.889 172.651 175.510 0.050 0.000 1.045 118 N CA -2.349 50.862 53.050 0.269 0.000 0.863 118 N CB 1.237 39.872 38.487 0.248 0.000 1.182 118 N HN -0.069 nan 8.380 nan 0.000 0.523 119 P HA 0.017 nan 4.420 nan 0.000 0.260 119 P C -0.834 176.376 177.300 -0.149 0.000 1.172 119 P CA 0.519 63.551 63.100 -0.112 0.000 0.760 119 P CB 0.388 32.327 31.700 0.398 0.000 0.773 120 T N 3.051 117.249 114.554 -0.593 0.000 2.786 120 T HA 0.560 4.926 4.350 0.027 0.000 0.283 120 T C 0.277 174.462 174.700 -0.858 0.000 0.992 120 T CA -0.542 61.269 62.100 -0.481 0.000 0.954 120 T CB 1.416 70.043 68.868 -0.400 0.000 0.934 120 T HN 0.334 nan 8.240 nan 0.000 0.440 121 G N 1.109 109.463 108.800 -0.744 0.000 2.370 121 G HA2 0.483 4.460 3.960 0.027 0.000 0.317 121 G HA3 0.483 4.460 3.960 0.027 0.000 0.317 121 G C -0.339 174.285 174.900 -0.460 0.000 1.162 121 G CA -0.366 44.130 45.100 -1.007 0.000 0.922 121 G HN 0.850 nan 8.290 nan 0.000 0.454 122 C N 3.215 122.034 119.300 -0.801 0.000 2.203 122 C HA 0.462 4.939 4.460 0.027 0.000 0.325 122 C C -0.568 174.376 174.990 -0.075 0.000 1.156 122 C CA -0.895 57.825 59.018 -0.496 0.000 1.597 122 C CB -1.716 25.353 27.740 -1.118 0.000 2.148 122 C HN 0.632 nan 8.230 nan 0.000 0.472 123 Y N 2.109 122.684 120.300 0.458 0.000 2.361 123 Y HA 0.624 5.191 4.550 0.028 0.000 0.332 123 Y C 0.821 177.165 175.900 0.740 0.000 1.101 123 Y CA -0.048 58.429 58.100 0.630 0.000 1.137 123 Y CB 1.507 40.326 38.460 0.597 0.000 1.207 123 Y HN 0.684 nan 8.280 nan 0.000 0.463 124 S N 2.438 118.619 115.700 0.802 0.000 2.607 124 S HA 0.826 5.313 4.470 0.027 0.000 0.273 124 S C -1.941 172.743 174.600 0.141 0.000 1.148 124 S CA -0.840 57.612 58.200 0.420 0.000 0.833 124 S CB 2.229 65.553 63.200 0.206 0.000 1.130 124 S HN 0.578 nan 8.310 nan 0.000 0.470 125 L N 0.739 121.866 121.223 -0.161 0.000 2.526 125 L HA 0.700 5.056 4.340 0.027 0.000 0.263 125 L C -1.133 175.690 176.870 -0.079 0.000 0.943 125 L CA 0.126 54.721 54.840 -0.409 0.000 0.859 125 L CB 2.284 43.595 42.059 -1.247 0.000 1.313 125 L HN 0.917 nan 8.230 nan 0.000 0.406 126 T N 5.511 120.043 114.554 -0.036 0.000 2.749 126 T HA 0.746 5.113 4.350 0.027 0.000 0.287 126 T C -0.931 173.807 174.700 0.063 0.000 0.970 126 T CA 0.022 62.126 62.100 0.006 0.000 0.980 126 T CB 0.250 69.093 68.868 -0.042 0.000 0.924 126 T HN 0.428 nan 8.240 nan 0.000 0.456 127 F N 0.969 120.821 119.950 -0.163 0.000 2.645 127 F HA 0.718 5.261 4.527 0.028 0.000 0.310 127 F C -0.834 174.887 175.800 -0.133 0.000 1.102 127 F CA -1.765 56.138 58.000 -0.161 0.000 0.952 127 F CB 1.052 39.932 39.000 -0.200 0.000 1.326 127 F HN 0.359 nan 8.300 nan 0.000 0.456 128 N N 0.546 119.171 118.700 -0.126 0.000 2.498 128 N HA 0.622 5.379 4.740 0.027 0.000 0.287 128 N C -1.849 173.531 175.510 -0.218 0.000 1.097 128 N CA -0.351 52.567 53.050 -0.221 0.000 0.973 128 N CB 1.699 40.107 38.487 -0.131 0.000 1.153 128 N HN 0.633 nan 8.380 nan 0.000 0.472 129 V N 2.260 122.020 119.914 -0.258 0.000 2.531 129 V HA 0.236 4.372 4.120 0.027 0.000 0.301 129 V C -0.433 175.548 176.094 -0.187 0.000 1.034 129 V CA -0.903 61.258 62.300 -0.232 0.000 0.865 129 V CB 1.407 33.150 31.823 -0.134 0.000 0.995 129 V HN 0.801 nan 8.190 nan 0.000 0.424 130 D N 2.422 122.671 120.400 -0.252 0.000 2.372 130 D HA 0.129 4.786 4.640 0.027 0.000 0.243 130 D C 1.116 177.422 176.300 0.009 0.000 1.121 130 D CA -0.018 53.916 54.000 -0.110 0.000 0.898 130 D CB 1.390 42.131 40.800 -0.099 0.000 1.202 130 D HN 0.664 nan 8.370 nan 0.000 0.428 131 E N 1.383 121.599 120.200 0.028 0.000 2.160 131 E HA -0.207 4.160 4.350 0.027 0.000 0.195 131 E C 1.702 178.370 176.600 0.114 0.000 0.991 131 E CA 1.705 58.142 56.400 0.063 0.000 0.810 131 E CB -0.294 29.428 29.700 0.037 0.000 0.742 131 E HN 0.460 nan 8.360 nan 0.000 0.466 132 S N -1.017 114.761 115.700 0.130 0.000 2.419 132 S HA -0.175 4.312 4.470 0.027 0.000 0.235 132 S C 1.734 176.427 174.600 0.156 0.000 1.019 132 S CA 1.047 59.326 58.200 0.132 0.000 0.982 132 S CB -0.822 62.452 63.200 0.124 0.000 0.789 132 S HN 0.402 nan 8.310 nan 0.000 0.490 133 W N 1.519 122.763 121.300 -0.094 0.000 2.584 133 W HA 0.393 5.070 4.660 0.027 0.000 0.264 133 W C 1.849 178.446 176.519 0.130 0.000 1.264 133 W CA -0.136 57.146 57.345 -0.104 0.000 1.306 133 W CB -0.400 29.075 29.460 0.026 0.000 1.110 133 W HN 0.313 nan 8.180 nan 0.000 0.606 134 L N -0.967 120.436 121.223 0.299 0.000 2.556 134 L HA 0.093 4.449 4.340 0.027 0.000 0.226 134 L C 2.092 179.051 176.870 0.148 0.000 1.089 134 L CA 0.317 55.288 54.840 0.219 0.000 0.864 134 L CB -0.534 41.623 42.059 0.162 0.000 1.067 134 L HN -0.142 nan 8.230 nan 0.000 0.477 135 Q N 0.198 120.073 119.800 0.125 0.000 2.230 135 Q HA 0.003 4.359 4.340 0.027 0.000 0.202 135 Q C 0.039 176.092 176.000 0.087 0.000 0.963 135 Q CA 1.014 56.868 55.803 0.085 0.000 0.866 135 Q CB 0.593 29.370 28.738 0.064 0.000 0.931 135 Q HN 0.246 nan 8.270 nan 0.000 0.452 136 E N -1.947 118.326 120.200 0.122 0.000 2.413 136 E HA 0.500 4.867 4.350 0.027 0.000 0.277 136 E C -0.363 176.349 176.600 0.187 0.000 0.958 136 E CA 0.186 56.654 56.400 0.113 0.000 0.779 136 E CB 1.692 31.449 29.700 0.096 0.000 1.278 136 E HN 0.226 nan 8.360 nan 0.000 0.456 137 G N 1.421 110.267 108.800 0.077 0.000 2.725 137 G HA2 -0.231 3.746 3.960 0.027 0.000 0.220 137 G HA3 -0.231 3.746 3.960 0.027 0.000 0.220 137 G C -0.655 174.159 174.900 -0.143 0.000 1.357 137 G CA -0.064 44.993 45.100 -0.072 0.000 0.866 137 G HN 0.508 nan 8.290 nan 0.000 0.548 138 Q N -0.535 119.019 119.800 -0.410 0.000 2.340 138 Q HA 0.649 5.005 4.340 0.027 0.000 0.268 138 Q C -0.954 174.890 176.000 -0.261 0.000 1.031 138 Q CA -0.496 55.171 55.803 -0.226 0.000 0.804 138 Q CB 1.568 30.209 28.738 -0.162 0.000 1.286 138 Q HN 0.616 nan 8.270 nan 0.000 0.448 139 T N 5.008 119.582 114.554 0.032 0.000 2.772 139 T HA 0.449 4.816 4.350 0.027 0.000 0.288 139 T C -0.643 174.168 174.700 0.186 0.000 0.994 139 T CA -0.639 61.579 62.100 0.196 0.000 0.951 139 T CB 0.468 69.590 68.868 0.422 0.000 0.933 139 T HN 0.622 nan 8.240 nan 0.000 0.447 140 R N 2.967 123.561 120.500 0.158 0.000 2.832 140 R HA 0.775 5.132 4.340 0.027 0.000 0.271 140 R C -0.977 175.414 176.300 0.153 0.000 0.996 140 R CA -0.962 55.229 56.100 0.152 0.000 0.977 140 R CB 1.496 31.861 30.300 0.108 0.000 1.168 140 R HN 0.546 nan 8.270 nan 0.000 0.482 141 I N 2.265 122.925 120.570 0.151 0.000 2.498 141 I HA 0.442 4.629 4.170 0.027 0.000 0.301 141 I C -1.002 175.148 176.117 0.056 0.000 0.984 141 I CA -1.234 60.100 61.300 0.057 0.000 1.204 141 I CB 1.311 39.337 38.000 0.042 0.000 1.362 141 I HN 0.613 nan 8.210 nan 0.000 0.471 142 I N 7.120 127.625 120.570 -0.107 0.000 2.478 142 I HA 0.276 4.463 4.170 0.027 0.000 0.287 142 I C -1.331 174.648 176.117 -0.231 0.000 1.042 142 I CA -0.356 60.908 61.300 -0.060 0.000 1.067 142 I CB 1.533 39.505 38.000 -0.045 0.000 1.233 142 I HN 0.386 nan 8.210 nan 0.000 0.431 143 F N 4.618 124.561 119.950 -0.012 0.000 2.334 143 F HA 0.263 4.807 4.527 0.027 0.000 0.367 143 F C 1.335 177.028 175.800 -0.179 0.000 1.115 143 F CA -0.401 57.519 58.000 -0.134 0.000 1.116 143 F CB 0.775 39.653 39.000 -0.204 0.000 1.230 143 F HN 0.458 nan 8.300 nan 0.000 0.484 144 D N 2.367 122.694 120.400 -0.122 0.000 2.264 144 D HA 0.042 4.699 4.640 0.027 0.000 0.208 144 D C 0.982 177.126 176.300 -0.259 0.000 0.966 144 D CA 0.856 54.739 54.000 -0.195 0.000 0.864 144 D CB 0.406 41.029 40.800 -0.295 0.000 0.933 144 D HN 0.621 nan 8.370 nan 0.000 0.499 145 G N -0.380 108.207 108.800 -0.354 0.000 2.552 145 G HA2 0.446 4.422 3.960 0.027 0.000 0.288 145 G HA3 0.446 4.422 3.960 0.027 0.000 0.288 145 G C -1.448 173.208 174.900 -0.406 0.000 1.358 145 G CA -0.388 44.388 45.100 -0.539 0.000 1.305 145 G HN -0.059 nan 8.290 nan 0.000 0.602 146 V N 2.483 122.351 119.914 -0.078 0.000 2.569 146 V HA 0.535 4.671 4.120 0.027 0.000 0.301 146 V C -0.906 175.269 176.094 0.135 0.000 1.044 146 V CA -1.164 61.092 62.300 -0.074 0.000 0.874 146 V CB 2.023 33.555 31.823 -0.486 0.000 1.002 146 V HN 0.706 nan 8.190 nan 0.000 0.424 147 N N 2.457 121.231 118.700 0.124 0.000 2.479 147 N HA 0.347 5.104 4.740 0.027 0.000 0.261 147 N C 0.527 175.974 175.510 -0.106 0.000 0.979 147 N CA 0.168 53.207 53.050 -0.018 0.000 0.930 147 N CB 2.184 40.517 38.487 -0.257 0.000 1.172 147 N HN 0.686 nan 8.380 nan 0.000 0.499 148 S N 1.896 117.572 115.700 -0.041 0.000 2.559 148 S HA 0.590 5.076 4.470 0.027 0.000 0.226 148 S C 0.317 174.979 174.600 0.104 0.000 1.030 148 S CA 0.096 58.322 58.200 0.043 0.000 0.956 148 S CB 0.349 63.589 63.200 0.065 0.000 0.900 148 S HN 0.652 nan 8.310 nan 0.000 0.510 149 A N 0.850 123.743 122.820 0.121 0.000 2.612 149 A HA 0.784 5.121 4.320 0.027 0.000 0.293 149 A C -1.401 176.277 177.584 0.157 0.000 1.075 149 A CA -0.908 51.166 52.037 0.062 0.000 0.680 149 A CB 0.893 19.956 19.000 0.105 0.000 1.279 149 A HN 1.051 nan 8.150 nan 0.000 0.411 150 F N -0.992 118.771 119.950 -0.311 0.000 2.693 150 F HA 0.738 5.281 4.527 0.027 0.000 0.309 150 F C -1.074 174.616 175.800 -0.184 0.000 1.129 150 F CA -0.826 57.094 58.000 -0.135 0.000 0.948 150 F CB 0.947 39.850 39.000 -0.162 0.000 1.315 150 F HN 0.628 nan 8.300 nan 0.000 0.447 151 H N 1.477 120.680 119.070 0.222 0.000 2.529 151 H HA 0.737 5.309 4.556 0.028 0.000 0.348 151 H C -1.439 173.835 175.328 -0.090 0.000 1.152 151 H CA -0.723 55.320 56.048 -0.008 0.000 1.202 151 H CB 2.555 32.286 29.762 -0.052 0.000 1.562 151 H HN 0.767 nan 8.280 nan 0.000 0.515 152 L N 2.730 123.730 121.223 -0.372 0.000 2.386 152 L HA 0.404 4.760 4.340 0.027 0.000 0.271 152 L C -1.558 175.027 176.870 -0.476 0.000 0.993 152 L CA -0.511 54.187 54.840 -0.236 0.000 0.819 152 L CB 1.446 43.215 42.059 -0.483 0.000 1.294 152 L HN 0.525 nan 8.230 nan 0.000 0.414 153 W N 4.188 125.449 121.300 -0.065 0.000 2.781 153 W HA 0.629 5.306 4.660 0.028 0.000 0.345 153 W C -1.116 175.343 176.519 -0.100 0.000 1.085 153 W CA -0.839 56.453 57.345 -0.087 0.000 1.198 153 W CB 2.062 31.518 29.460 -0.006 0.000 1.423 153 W HN 0.627 nan 8.180 nan 0.000 0.532 154 C N 4.083 123.475 119.300 0.152 0.000 2.481 154 C HA 0.297 4.773 4.460 0.027 0.000 0.324 154 C C 0.217 175.338 174.990 0.218 0.000 1.170 154 C CA -0.394 58.711 59.018 0.146 0.000 1.361 154 C CB -0.288 27.479 27.740 0.044 0.000 1.977 154 C HN 0.815 nan 8.230 nan 0.000 0.459 155 N N 3.518 122.299 118.700 0.135 0.000 2.716 155 N HA -0.194 4.562 4.740 0.027 0.000 0.250 155 N C 1.001 176.573 175.510 0.104 0.000 1.033 155 N CA 2.076 55.177 53.050 0.085 0.000 0.727 155 N CB -1.242 37.300 38.487 0.091 0.000 0.950 155 N HN 1.877 nan 8.380 nan 0.000 0.541 156 G N -1.329 107.526 108.800 0.092 0.000 2.199 156 G HA2 -0.356 3.620 3.960 0.027 0.000 0.254 156 G HA3 -0.356 3.620 3.960 0.027 0.000 0.254 156 G C 0.123 175.185 174.900 0.271 0.000 0.982 156 G CA 0.584 45.734 45.100 0.083 0.000 0.632 156 G HN 0.559 nan 8.290 nan 0.000 0.529 157 R N -1.026 119.703 120.500 0.381 0.000 2.460 157 R HA 0.468 4.824 4.340 0.027 0.000 0.303 157 R C -0.345 176.289 176.300 0.556 0.000 0.968 157 R CA -0.883 55.516 56.100 0.497 0.000 0.889 157 R CB 1.242 31.838 30.300 0.494 0.000 1.123 157 R HN 0.193 nan 8.270 nan 0.000 0.455 158 W N 3.272 124.754 121.300 0.302 0.000 2.253 158 W HA 0.110 4.786 4.660 0.027 0.000 0.322 158 W C 0.044 176.488 176.519 -0.125 0.000 1.342 158 W CA 0.048 57.278 57.345 -0.193 0.000 1.218 158 W CB 0.717 30.030 29.460 -0.245 0.000 1.205 158 W HN 0.324 nan 8.180 nan 0.000 0.551 159 V N 5.106 124.250 119.914 -1.285 0.000 2.743 159 V HA 0.546 4.683 4.120 0.027 0.000 0.237 159 V C 1.019 176.112 176.094 -1.668 0.000 1.113 159 V CA 1.025 62.542 62.300 -1.304 0.000 1.141 159 V CB -0.266 30.823 31.823 -1.225 0.000 0.873 159 V HN 0.824 nan 8.190 nan 0.000 0.486 160 G N -1.716 105.875 108.800 -2.016 0.000 2.341 160 G HA2 0.461 4.437 3.960 0.027 0.000 0.299 160 G HA3 0.461 4.437 3.960 0.027 0.000 0.299 160 G C -2.425 172.023 174.900 -0.753 0.000 1.274 160 G CA -0.206 44.084 45.100 -1.350 0.000 0.853 160 G HN 0.025 nan 8.290 nan 0.000 0.493 161 Y N -0.547 119.488 120.300 -0.441 0.000 2.571 161 Y HA 0.706 5.273 4.550 0.027 0.000 0.341 161 Y C -0.103 175.548 175.900 -0.414 0.000 1.076 161 Y CA -0.037 57.735 58.100 -0.547 0.000 1.029 161 Y CB 2.127 40.425 38.460 -0.271 0.000 1.308 161 Y HN 1.302 nan 8.280 nan 0.000 0.461 162 G N 3.448 111.361 108.800 -1.479 0.000 2.704 162 G HA2 0.598 4.575 3.960 0.027 0.000 0.293 162 G HA3 0.598 4.575 3.960 0.027 0.000 0.293 162 G C -2.118 172.323 174.900 -0.765 0.000 1.421 162 G CA -0.871 43.712 45.100 -0.863 0.000 0.870 162 G HN 0.632 nan 8.290 nan 0.000 0.492 163 Q N -0.516 119.099 119.800 -0.309 0.000 2.668 163 Q HA 0.586 4.943 4.340 0.027 0.000 0.298 163 Q C -1.503 174.500 176.000 0.006 0.000 1.071 163 Q CA -0.804 54.938 55.803 -0.103 0.000 0.789 163 Q CB 2.760 31.487 28.738 -0.018 0.000 1.497 163 Q HN 0.679 nan 8.270 nan 0.000 0.460 164 D N -0.304 120.135 120.400 0.066 0.000 4.303 164 D HA -0.095 4.562 4.640 0.027 0.000 0.230 164 D C -0.621 175.745 176.300 0.110 0.000 1.172 164 D CA 0.472 54.526 54.000 0.090 0.000 1.001 164 D CB -0.690 40.148 40.800 0.063 0.000 0.641 164 D HN 0.506 nan 8.370 nan 0.000 0.296 165 S N 3.322 119.101 115.700 0.132 0.000 2.555 165 S HA -0.028 4.458 4.470 0.027 0.000 0.230 165 S C 1.505 176.239 174.600 0.223 0.000 0.978 165 S CA 0.458 58.764 58.200 0.176 0.000 0.934 165 S CB 0.251 63.522 63.200 0.118 0.000 0.766 165 S HN 0.461 nan 8.310 nan 0.000 0.533 166 R N 0.165 120.761 120.500 0.160 0.000 2.565 166 R HA 0.433 4.789 4.340 0.027 0.000 0.347 166 R C -0.463 175.902 176.300 0.108 0.000 1.010 166 R CA 0.051 56.247 56.100 0.161 0.000 1.126 166 R CB 0.213 30.631 30.300 0.197 0.000 1.331 166 R HN 0.315 nan 8.270 nan 0.000 0.552 167 L N 1.477 122.735 121.223 0.058 0.000 2.350 167 L HA 0.530 4.887 4.340 0.027 0.000 0.260 167 L C -2.386 174.467 176.870 -0.028 0.000 1.015 167 L CA -2.270 52.572 54.840 0.005 0.000 0.821 167 L CB 2.950 45.003 42.059 -0.010 0.000 1.370 167 L HN -0.210 nan 8.230 nan 0.000 0.416 168 P HA 0.126 nan 4.420 nan 0.000 0.275 168 P C -1.045 176.222 177.300 -0.055 0.000 1.227 168 P CA -0.257 62.800 63.100 -0.071 0.000 0.781 168 P CB 1.206 32.825 31.700 -0.135 0.000 0.906 169 S N 1.958 117.684 115.700 0.043 0.000 2.456 169 S HA 0.318 4.805 4.470 0.027 0.000 0.316 169 S C -0.385 174.176 174.600 -0.066 0.000 1.089 169 S CA -0.566 57.623 58.200 -0.018 0.000 1.101 169 S CB 0.833 64.190 63.200 0.261 0.000 0.995 169 S HN 0.363 nan 8.310 nan 0.000 0.468 170 E N 1.974 121.926 120.200 -0.413 0.000 2.222 170 E HA 0.565 4.932 4.350 0.027 0.000 0.267 170 E C -1.437 174.772 176.600 -0.652 0.000 0.884 170 E CA -0.542 55.689 56.400 -0.281 0.000 0.764 170 E CB 1.672 31.319 29.700 -0.088 0.000 1.169 170 E HN 0.411 nan 8.360 nan 0.000 0.413 171 F N 0.637 120.641 119.950 0.091 0.000 2.565 171 F HA 0.199 4.743 4.527 0.028 0.000 0.313 171 F C 0.029 175.851 175.800 0.037 0.000 1.091 171 F CA -1.108 56.907 58.000 0.025 0.000 0.915 171 F CB 1.558 40.538 39.000 -0.033 0.000 1.208 171 F HN 0.280 nan 8.300 nan 0.000 0.453 172 D N 2.929 123.455 120.400 0.209 0.000 2.339 172 D HA 0.194 4.851 4.640 0.027 0.000 0.256 172 D C 0.313 176.751 176.300 0.230 0.000 1.214 172 D CA 0.333 54.442 54.000 0.181 0.000 0.877 172 D CB 0.912 41.805 40.800 0.155 0.000 1.111 172 D HN 0.566 nan 8.370 nan 0.000 0.478 173 L N 2.877 124.241 121.223 0.234 0.000 2.667 173 L HA 0.034 4.390 4.340 0.027 0.000 0.232 173 L C 2.058 179.160 176.870 0.387 0.000 1.138 173 L CA -0.161 54.862 54.840 0.304 0.000 0.921 173 L CB 0.065 42.267 42.059 0.238 0.000 1.180 173 L HN 0.276 nan 8.230 nan 0.000 0.487 174 S N 1.317 117.188 115.700 0.285 0.000 2.374 174 S HA -0.243 4.244 4.470 0.027 0.000 0.227 174 S C 2.019 176.727 174.600 0.180 0.000 1.037 174 S CA 1.755 60.081 58.200 0.211 0.000 1.024 174 S CB -0.106 63.175 63.200 0.136 0.000 0.861 174 S HN 0.561 nan 8.310 nan 0.000 0.456 175 A N -0.614 122.302 122.820 0.160 0.000 2.238 175 A HA 0.340 4.677 4.320 0.027 0.000 0.208 175 A C 1.235 178.729 177.584 -0.151 0.000 1.177 175 A CA 0.274 52.288 52.037 -0.038 0.000 0.804 175 A CB -0.406 18.485 19.000 -0.182 0.000 0.823 175 A HN 0.478 nan 8.150 nan 0.000 0.482 176 F N -0.867 119.125 119.950 0.071 0.000 2.720 176 F HA 0.389 4.933 4.527 0.028 0.000 0.301 176 F C 0.617 176.454 175.800 0.061 0.000 1.103 176 F CA -0.039 58.001 58.000 0.067 0.000 1.291 176 F CB 0.215 39.262 39.000 0.077 0.000 1.086 176 F HN -0.016 nan 8.300 nan 0.000 0.592 177 L N 0.755 122.120 121.223 0.238 0.000 2.365 177 L HA 0.594 4.951 4.340 0.027 0.000 0.267 177 L C 0.002 176.913 176.870 0.069 0.000 1.033 177 L CA -0.904 54.021 54.840 0.141 0.000 0.802 177 L CB 1.511 43.669 42.059 0.164 0.000 1.267 177 L HN -0.029 nan 8.230 nan 0.000 0.457 178 R N 0.774 121.277 120.500 0.006 0.000 2.808 178 R HA 0.806 5.162 4.340 0.027 0.000 0.272 178 R C -1.158 175.116 176.300 -0.042 0.000 0.995 178 R CA -0.917 55.177 56.100 -0.009 0.000 0.917 178 R CB 1.559 31.845 30.300 -0.023 0.000 1.217 178 R HN 0.544 nan 8.270 nan 0.000 0.471 179 A N 1.061 123.866 122.820 -0.026 0.000 2.498 179 A HA 0.516 4.852 4.320 0.027 0.000 0.239 179 A C 1.044 178.579 177.584 -0.081 0.000 1.068 179 A CA 1.043 53.054 52.037 -0.043 0.000 0.766 179 A CB -0.565 18.424 19.000 -0.018 0.000 1.003 179 A HN 1.382 nan 8.150 nan 0.000 0.497 180 G N 1.190 109.924 108.800 -0.110 0.000 2.481 180 G HA2 -0.106 3.870 3.960 0.027 0.000 0.230 180 G HA3 -0.106 3.870 3.960 0.027 0.000 0.230 180 G C -0.369 174.408 174.900 -0.205 0.000 1.210 180 G CA -0.037 44.985 45.100 -0.129 0.000 0.936 180 G HN 0.918 nan 8.290 nan 0.000 0.583 181 E N 2.057 122.143 120.200 -0.191 0.000 2.338 181 E HA 0.438 4.805 4.350 0.027 0.000 0.272 181 E C 0.334 176.742 176.600 -0.321 0.000 1.029 181 E CA -0.049 56.196 56.400 -0.257 0.000 0.872 181 E CB 0.681 30.279 29.700 -0.169 0.000 1.015 181 E HN 0.488 nan 8.360 nan 0.000 0.417 182 N N 1.782 120.160 118.700 -0.537 0.000 2.455 182 N HA 0.414 5.170 4.740 0.027 0.000 0.278 182 N C -0.783 174.485 175.510 -0.404 0.000 1.291 182 N CA -0.666 52.072 53.050 -0.521 0.000 0.780 182 N CB 2.745 40.705 38.487 -0.878 0.000 1.520 182 N HN 0.218 nan 8.380 nan 0.000 0.486 183 R N 1.314 121.737 120.500 -0.128 0.000 2.532 183 R HA 0.486 4.842 4.340 0.027 0.000 0.297 183 R C -1.261 175.110 176.300 0.117 0.000 0.984 183 R CA -0.487 55.620 56.100 0.012 0.000 0.884 183 R CB 1.074 31.340 30.300 -0.056 0.000 1.182 183 R HN 0.479 nan 8.270 nan 0.000 0.442 184 L N 3.012 124.350 121.223 0.191 0.000 2.343 184 L HA 0.758 5.115 4.340 0.027 0.000 0.275 184 L C -0.220 176.703 176.870 0.089 0.000 1.056 184 L CA -0.903 54.041 54.840 0.173 0.000 0.804 184 L CB 1.864 44.012 42.059 0.149 0.000 1.203 184 L HN 0.772 nan 8.230 nan 0.000 0.440 185 A N 2.803 125.690 122.820 0.111 0.000 2.381 185 A HA 0.743 5.079 4.320 0.027 0.000 0.299 185 A C -1.129 176.722 177.584 0.444 0.000 1.049 185 A CA -0.439 51.577 52.037 -0.036 0.000 0.715 185 A CB 1.643 20.138 19.000 -0.843 0.000 1.222 185 A HN 0.364 nan 8.150 nan 0.000 0.428 186 V N 3.293 123.637 119.914 0.716 0.000 2.443 186 V HA 0.478 4.615 4.120 0.027 0.000 0.293 186 V C -0.117 176.505 176.094 0.879 0.000 1.021 186 V CA -0.293 62.438 62.300 0.717 0.000 0.848 186 V CB 1.566 33.640 31.823 0.417 0.000 0.998 186 V HN 0.967 nan 8.190 nan 0.000 0.424 187 M N 5.992 126.140 119.600 0.913 0.000 2.061 187 M HA 0.569 5.066 4.480 0.027 0.000 0.346 187 M C -1.427 175.138 176.300 0.442 0.000 1.112 187 M CA -0.360 55.301 55.300 0.602 0.000 1.021 187 M CB 1.087 34.078 32.600 0.652 0.000 1.530 187 M HN 0.482 nan 8.290 nan 0.000 0.437 188 V N 6.325 126.455 119.914 0.360 0.000 2.370 188 V HA 0.385 4.522 4.120 0.027 0.000 0.283 188 V C -0.213 176.052 176.094 0.285 0.000 1.023 188 V CA -0.921 61.599 62.300 0.367 0.000 0.857 188 V CB 1.347 33.479 31.823 0.514 0.000 0.985 188 V HN 0.660 nan 8.190 nan 0.000 0.443 189 L N 5.009 126.327 121.223 0.160 0.000 2.312 189 L HA 0.484 4.840 4.340 0.027 0.000 0.281 189 L C 1.396 178.285 176.870 0.032 0.000 1.070 189 L CA 0.246 55.105 54.840 0.032 0.000 0.805 189 L CB 0.895 42.884 42.059 -0.117 0.000 1.174 189 L HN 0.694 nan 8.230 nan 0.000 0.434 190 R N 2.688 123.153 120.500 -0.059 0.000 2.075 190 R HA -0.065 4.292 4.340 0.027 0.000 0.232 190 R C -0.350 175.611 176.300 -0.564 0.000 1.126 190 R CA 1.153 56.972 56.100 -0.468 0.000 0.963 190 R CB 0.259 30.145 30.300 -0.689 0.000 0.858 190 R HN 0.584 nan 8.270 nan 0.000 0.435 191 W N 0.257 121.621 121.300 0.106 0.000 2.666 191 W HA 0.421 5.098 4.660 0.027 0.000 0.334 191 W C -0.389 176.243 176.519 0.188 0.000 1.051 191 W CA -0.778 56.637 57.345 0.116 0.000 1.224 191 W CB 1.862 31.394 29.460 0.119 0.000 1.405 191 W HN 0.038 nan 8.180 nan 0.000 0.513 192 S N -1.023 114.966 115.700 0.482 0.000 2.672 192 S HA 0.206 4.693 4.470 0.027 0.000 0.271 192 S C 0.036 174.896 174.600 0.434 0.000 1.171 192 S CA -0.467 58.025 58.200 0.488 0.000 0.817 192 S CB 1.173 64.636 63.200 0.438 0.000 1.150 192 S HN 0.626 nan 8.310 nan 0.000 0.478 193 D N 0.220 120.883 120.400 0.438 0.000 2.310 193 D HA 0.097 4.753 4.640 0.027 0.000 0.212 193 D C 1.719 178.345 176.300 0.543 0.000 0.965 193 D CA 1.015 55.330 54.000 0.526 0.000 0.879 193 D CB -0.621 40.353 40.800 0.289 0.000 0.921 193 D HN 0.695 nan 8.370 nan 0.000 0.510 194 G N 0.116 109.144 108.800 0.380 0.000 2.471 194 G HA2 -0.237 3.740 3.960 0.027 0.000 0.219 194 G HA3 -0.237 3.740 3.960 0.027 0.000 0.219 194 G C 1.684 176.776 174.900 0.320 0.000 1.125 194 G CA 0.577 45.874 45.100 0.329 0.000 0.775 194 G HN 0.291 nan 8.290 nan 0.000 0.548 195 S N -0.004 115.869 115.700 0.289 0.000 2.419 195 S HA -0.105 4.382 4.470 0.027 0.000 0.233 195 S C 1.904 176.601 174.600 0.161 0.000 1.016 195 S CA 0.715 59.050 58.200 0.225 0.000 0.974 195 S CB -0.372 62.970 63.200 0.236 0.000 0.786 195 S HN 0.517 nan 8.310 nan 0.000 0.492 196 Y N 1.235 121.674 120.300 0.232 0.000 2.421 196 Y HA 0.071 4.637 4.550 0.027 0.000 0.292 196 Y C 1.613 177.634 175.900 0.202 0.000 1.136 196 Y CA 0.636 58.796 58.100 0.100 0.000 1.255 196 Y CB -0.282 38.092 38.460 -0.143 0.000 0.991 196 Y HN 0.214 nan 8.280 nan 0.000 0.552 197 L N -0.476 120.953 121.223 0.344 0.000 2.667 197 L HA 0.133 4.490 4.340 0.027 0.000 0.232 197 L C 0.107 177.124 176.870 0.246 0.000 1.138 197 L CA 0.392 55.390 54.840 0.264 0.000 0.921 197 L CB 0.077 42.292 42.059 0.261 0.000 1.180 197 L HN 0.093 nan 8.230 nan 0.000 0.487 198 E N 0.003 120.360 120.200 0.263 0.000 3.846 198 E HA 0.045 4.411 4.350 0.027 0.000 0.216 198 E C -0.515 176.201 176.600 0.193 0.000 1.092 198 E CA -0.062 56.475 56.400 0.229 0.000 1.370 198 E CB 0.499 30.325 29.700 0.209 0.000 1.227 198 E HN 0.031 nan 8.360 nan 0.000 0.442 199 D N 1.108 121.582 120.400 0.123 0.000 2.706 199 D HA 0.036 4.693 4.640 0.027 0.000 0.236 199 D C -0.217 176.088 176.300 0.008 0.000 1.231 199 D CA -0.112 53.850 54.000 -0.062 0.000 0.828 199 D CB 0.172 40.690 40.800 -0.471 0.000 1.015 199 D HN 0.065 nan 8.370 nan 0.000 0.484 200 Q N 0.394 120.291 119.800 0.162 0.000 2.421 200 Q HA 0.133 4.490 4.340 0.027 0.000 0.255 200 Q C -0.116 176.012 176.000 0.213 0.000 1.013 200 Q CA 0.016 55.983 55.803 0.273 0.000 0.895 200 Q CB 0.617 29.676 28.738 0.534 0.000 1.271 200 Q HN 0.054 nan 8.270 nan 0.000 0.460 201 D N 2.873 123.424 120.400 0.253 0.000 2.441 201 D HA 0.181 4.837 4.640 0.027 0.000 0.243 201 D C -0.829 175.624 176.300 0.255 0.000 1.257 201 D CA 0.135 54.258 54.000 0.205 0.000 1.027 201 D CB -0.439 40.486 40.800 0.209 0.000 1.084 201 D HN 0.497 nan 8.370 nan 0.000 0.514 202 M N 0.449 120.170 119.600 0.202 0.000 3.012 202 M HA 0.386 4.883 4.480 0.027 0.000 0.272 202 M C -1.343 175.054 176.300 0.162 0.000 1.187 202 M CA -1.147 54.200 55.300 0.078 0.000 0.813 202 M CB 1.046 33.632 32.600 -0.023 0.000 1.626 202 M HN -0.088 nan 8.290 nan 0.000 0.507 203 W N 1.889 123.280 121.300 0.152 0.000 2.193 203 W HA 0.308 4.985 4.660 0.028 0.000 0.338 203 W C 0.281 176.825 176.519 0.041 0.000 1.310 203 W CA -0.055 57.370 57.345 0.133 0.000 1.243 203 W CB 0.348 29.825 29.460 0.029 0.000 1.165 203 W HN 0.307 nan 8.180 nan 0.000 0.566 204 R N 4.620 125.300 120.500 0.300 0.000 2.204 204 R HA 0.422 4.778 4.340 0.027 0.000 0.341 204 R C -0.153 176.155 176.300 0.015 0.000 1.035 204 R CA -0.247 55.948 56.100 0.158 0.000 0.887 204 R CB 0.205 30.671 30.300 0.276 0.000 1.114 204 R HN 0.554 nan 8.270 nan 0.000 0.473 205 M N 0.264 119.760 119.600 -0.174 0.000 2.792 205 M HA 0.529 5.025 4.480 0.027 0.000 0.290 205 M C -0.065 175.886 176.300 -0.581 0.000 1.155 205 M CA -0.816 54.261 55.300 -0.372 0.000 0.781 205 M CB 2.340 34.718 32.600 -0.370 0.000 1.741 205 M HN 0.641 nan 8.290 nan 0.000 0.473 206 S N -1.167 114.056 115.700 -0.795 0.000 2.611 206 S HA 0.950 5.437 4.470 0.027 0.000 0.268 206 S C -0.641 173.457 174.600 -0.837 0.000 1.156 206 S CA -0.193 57.472 58.200 -0.890 0.000 0.817 206 S CB 1.825 64.303 63.200 -1.202 0.000 1.122 206 S HN 1.441 nan 8.310 nan 0.000 0.466 207 G N -0.102 108.455 108.800 -0.404 0.000 2.343 207 G HA2 0.211 4.188 3.960 0.027 0.000 0.465 207 G HA3 0.211 4.188 3.960 0.027 0.000 0.465 207 G C -1.531 173.382 174.900 0.022 0.000 1.282 207 G CA -0.628 44.517 45.100 0.076 0.000 0.996 207 G HN 1.149 nan 8.290 nan 0.000 0.521 208 I N 2.001 122.445 120.570 -0.211 0.000 2.268 208 I HA 0.288 4.475 4.170 0.027 0.000 0.290 208 I C 0.991 176.964 176.117 -0.240 0.000 1.125 208 I CA -0.288 60.773 61.300 -0.398 0.000 1.236 208 I CB -0.099 37.390 38.000 -0.852 0.000 1.469 208 I HN 0.505 nan 8.210 nan 0.000 0.512 209 F N 4.054 123.854 119.950 -0.249 0.000 2.678 209 F HA 0.483 5.026 4.527 0.027 0.000 0.305 209 F C 0.584 176.307 175.800 -0.129 0.000 1.090 209 F CA -0.611 57.278 58.000 -0.186 0.000 1.272 209 F CB 0.003 38.897 39.000 -0.177 0.000 1.060 209 F HN 0.099 nan 8.300 nan 0.000 0.576 210 R N 0.417 120.445 120.500 -0.787 0.000 2.939 210 R HA 0.271 4.628 4.340 0.027 0.000 0.254 210 R C -0.708 175.377 176.300 -0.358 0.000 1.123 210 R CA -1.154 54.620 56.100 -0.543 0.000 1.020 210 R CB 0.727 30.641 30.300 -0.643 0.000 1.206 210 R HN -0.040 nan 8.270 nan 0.000 0.491 211 D N 0.718 120.958 120.400 -0.267 0.000 2.419 211 D HA 0.112 4.769 4.640 0.027 0.000 0.236 211 D C -0.425 175.735 176.300 -0.234 0.000 1.165 211 D CA 0.378 54.260 54.000 -0.197 0.000 0.882 211 D CB 0.795 41.510 40.800 -0.142 0.000 1.201 211 D HN -0.009 nan 8.370 nan 0.000 0.443 212 V N 0.855 120.641 119.914 -0.213 0.000 2.604 212 V HA 0.566 4.703 4.120 0.027 0.000 0.305 212 V C 0.120 176.091 176.094 -0.204 0.000 1.043 212 V CA -0.581 61.533 62.300 -0.311 0.000 0.888 212 V CB 1.696 33.336 31.823 -0.305 0.000 0.995 212 V HN 0.762 nan 8.190 nan 0.000 0.429 213 S N 4.288 119.847 115.700 -0.235 0.000 2.638 213 S HA 0.887 5.373 4.470 0.027 0.000 0.274 213 S C -1.519 173.024 174.600 -0.096 0.000 1.157 213 S CA -0.840 57.289 58.200 -0.119 0.000 0.826 213 S CB 2.156 65.322 63.200 -0.057 0.000 1.139 213 S HN 0.440 nan 8.310 nan 0.000 0.474 214 L N 1.179 122.407 121.223 0.010 0.000 2.386 214 L HA 0.796 5.153 4.340 0.027 0.000 0.271 214 L C -1.516 175.525 176.870 0.286 0.000 0.993 214 L CA -0.746 54.170 54.840 0.127 0.000 0.819 214 L CB 1.697 43.822 42.059 0.110 0.000 1.294 214 L HN 0.853 nan 8.230 nan 0.000 0.414 215 L N 4.093 125.478 121.223 0.270 0.000 2.381 215 L HA 0.488 4.844 4.340 0.027 0.000 0.274 215 L C -1.088 175.823 176.870 0.068 0.000 0.988 215 L CA -0.207 54.733 54.840 0.166 0.000 0.824 215 L CB 1.341 43.453 42.059 0.088 0.000 1.263 215 L HN 0.624 nan 8.230 nan 0.000 0.410 216 H N 5.205 124.076 119.070 -0.331 0.000 2.467 216 H HA 0.498 5.071 4.556 0.028 0.000 0.326 216 H C -1.219 173.906 175.328 -0.339 0.000 1.094 216 H CA -0.533 55.195 56.048 -0.534 0.000 1.253 216 H CB 1.201 30.157 29.762 -1.344 0.000 1.439 216 H HN 0.518 nan 8.280 nan 0.000 0.479 217 K N 5.180 125.187 120.400 -0.655 0.000 2.385 217 K HA 0.366 4.702 4.320 0.027 0.000 0.248 217 K C -2.718 173.609 176.600 -0.456 0.000 0.955 217 K CA -2.058 53.991 56.287 -0.396 0.000 0.816 217 K CB 2.149 34.485 32.500 -0.273 0.000 1.250 217 K HN 0.483 nan 8.250 nan 0.000 0.434 218 P HA 0.137 nan 4.420 nan 0.000 0.272 218 P C 0.516 177.732 177.300 -0.139 0.000 1.240 218 P CA -0.138 62.883 63.100 -0.132 0.000 0.791 218 P CB 0.460 32.131 31.700 -0.049 0.000 0.978 219 T N -1.087 113.415 114.554 -0.087 0.000 2.788 219 T HA -0.051 4.315 4.350 0.027 0.000 0.268 219 T C 0.616 175.272 174.700 -0.073 0.000 1.044 219 T CA 1.577 63.633 62.100 -0.073 0.000 1.139 219 T CB -0.593 68.251 68.868 -0.039 0.000 0.867 219 T HN 0.437 nan 8.240 nan 0.000 0.454 220 T N 3.594 118.112 114.554 -0.061 0.000 2.743 220 T HA 0.475 4.842 4.350 0.027 0.000 0.293 220 T C -0.262 174.390 174.700 -0.080 0.000 0.945 220 T CA -0.615 61.440 62.100 -0.074 0.000 1.030 220 T CB 0.724 69.564 68.868 -0.047 0.000 0.912 220 T HN 0.482 nan 8.240 nan 0.000 0.483 221 Q N 2.284 122.021 119.800 -0.105 0.000 2.534 221 Q HA 0.572 4.929 4.340 0.027 0.000 0.290 221 Q C -1.367 174.565 176.000 -0.114 0.000 0.991 221 Q CA -1.120 54.611 55.803 -0.120 0.000 0.783 221 Q CB 1.207 29.851 28.738 -0.157 0.000 1.470 221 Q HN 0.472 nan 8.270 nan 0.000 0.406 222 I N 2.573 123.050 120.570 -0.154 0.000 2.436 222 I HA 0.025 4.211 4.170 0.027 0.000 0.289 222 I C 0.801 176.815 176.117 -0.173 0.000 1.083 222 I CA 0.112 61.340 61.300 -0.120 0.000 1.372 222 I CB 1.067 38.961 38.000 -0.177 0.000 1.408 222 I HN 0.892 nan 8.210 nan 0.000 0.516 223 S N 2.692 118.410 115.700 0.029 0.000 2.511 223 S HA 0.212 4.699 4.470 0.027 0.000 0.214 223 S C 0.196 175.041 174.600 0.408 0.000 0.997 223 S CA -0.274 58.021 58.200 0.159 0.000 0.908 223 S CB 0.315 63.562 63.200 0.078 0.000 0.803 223 S HN 0.700 nan 8.310 nan 0.000 0.504 224 D N -0.187 120.437 120.400 0.373 0.000 2.683 224 D HA 0.520 5.176 4.640 0.027 0.000 0.246 224 D C -1.974 174.518 176.300 0.321 0.000 1.238 224 D CA -0.648 53.566 54.000 0.356 0.000 0.759 224 D CB 1.802 42.701 40.800 0.164 0.000 1.349 224 D HN 0.192 nan 8.370 nan 0.000 0.426 225 F N -0.509 119.510 119.950 0.115 0.000 2.635 225 F HA 0.577 5.120 4.527 0.028 0.000 0.314 225 F C -1.605 174.268 175.800 0.123 0.000 1.119 225 F CA -0.737 57.255 58.000 -0.012 0.000 1.000 225 F CB 1.031 40.068 39.000 0.062 0.000 1.278 225 F HN 0.235 nan 8.300 nan 0.000 0.446 226 H N 2.074 121.200 119.070 0.093 0.000 2.529 226 H HA 0.768 5.341 4.556 0.028 0.000 0.348 226 H C -1.261 174.102 175.328 0.059 0.000 1.079 226 H CA -1.532 54.507 56.048 -0.015 0.000 1.198 226 H CB 2.631 32.376 29.762 -0.029 0.000 1.521 226 H HN 0.613 nan 8.280 nan 0.000 0.514 227 V N 2.271 122.274 119.914 0.149 0.000 2.448 227 V HA 0.653 4.790 4.120 0.027 0.000 0.295 227 V C -0.212 175.876 176.094 -0.010 0.000 1.025 227 V CA -0.579 61.765 62.300 0.074 0.000 0.859 227 V CB 1.297 33.159 31.823 0.064 0.000 0.988 227 V HN 0.930 nan 8.190 nan 0.000 0.431 228 A N 3.255 126.047 122.820 -0.047 0.000 2.401 228 A HA 0.953 5.290 4.320 0.027 0.000 0.310 228 A C -0.141 177.340 177.584 -0.171 0.000 1.075 228 A CA -0.537 51.450 52.037 -0.083 0.000 0.746 228 A CB 1.974 20.947 19.000 -0.045 0.000 1.277 228 A HN 0.917 nan 8.150 nan 0.000 0.425 229 T N -0.393 114.038 114.554 -0.204 0.000 2.840 229 T HA 0.698 5.064 4.350 0.027 0.000 0.287 229 T C -0.444 174.033 174.700 -0.372 0.000 0.991 229 T CA -0.811 61.074 62.100 -0.357 0.000 0.964 229 T CB 0.962 69.514 68.868 -0.526 0.000 0.954 229 T HN 0.993 nan 8.240 nan 0.000 0.438 230 R N 2.000 122.207 120.500 -0.488 0.000 2.803 230 R HA 0.833 5.190 4.340 0.027 0.000 0.276 230 R C -1.681 174.223 176.300 -0.660 0.000 0.978 230 R CA -0.951 54.924 56.100 -0.375 0.000 0.939 230 R CB 1.341 31.558 30.300 -0.137 0.000 1.179 230 R HN 0.485 nan 8.270 nan 0.000 0.472 231 F N 0.532 120.465 119.950 -0.029 0.000 2.611 231 F HA 0.355 4.898 4.527 0.026 0.000 0.324 231 F C 0.280 175.949 175.800 -0.220 0.000 1.061 231 F CA -0.983 56.942 58.000 -0.126 0.000 0.954 231 F CB 1.577 40.404 39.000 -0.289 0.000 1.301 231 F HN 0.712 nan 8.300 nan 0.000 0.482 232 N N -0.058 118.618 118.700 -0.040 0.000 2.366 232 N HA 0.058 4.814 4.740 0.027 0.000 0.277 232 N C 0.443 175.809 175.510 -0.241 0.000 1.275 232 N CA -0.155 52.835 53.050 -0.099 0.000 0.964 232 N CB 0.025 38.481 38.487 -0.051 0.000 1.167 232 N HN 0.666 nan 8.380 nan 0.000 0.568 233 D N -1.600 118.707 120.400 -0.156 0.000 2.218 233 D HA -0.209 4.448 4.640 0.027 0.000 0.204 233 D C 0.312 176.524 176.300 -0.147 0.000 0.976 233 D CA 1.377 55.286 54.000 -0.153 0.000 0.853 233 D CB -0.472 40.299 40.800 -0.048 0.000 0.939 233 D HN 0.720 nan 8.370 nan 0.000 0.481 234 D N -1.707 118.647 120.400 -0.078 0.000 2.440 234 D HA 0.022 4.679 4.640 0.027 0.000 0.216 234 D C 0.147 176.585 176.300 0.230 0.000 1.150 234 D CA -0.843 53.222 54.000 0.108 0.000 0.832 234 D CB -0.869 39.999 40.800 0.114 0.000 0.992 234 D HN 0.189 nan 8.370 nan 0.000 0.502 235 F N 0.317 120.328 119.950 0.100 0.000 2.884 235 F HA -0.279 4.263 4.527 0.025 0.000 0.294 235 F C 1.578 177.459 175.800 0.136 0.000 0.723 235 F CA 0.771 58.838 58.000 0.112 0.000 1.294 235 F CB -2.477 36.481 39.000 -0.070 0.000 1.551 235 F HN 0.198 nan 8.300 nan 0.000 0.363 236 S N -0.826 114.979 115.700 0.175 0.000 2.548 236 S HA 0.307 4.794 4.470 0.027 0.000 0.215 236 S C 0.580 175.234 174.600 0.090 0.000 0.976 236 S CA -0.071 58.205 58.200 0.127 0.000 0.908 236 S CB 0.359 63.610 63.200 0.085 0.000 0.781 236 S HN 0.445 nan 8.310 nan 0.000 0.519 237 R N 0.255 120.812 120.500 0.096 0.000 2.604 237 R HA 0.795 5.152 4.340 0.027 0.000 0.281 237 R C -1.289 175.036 176.300 0.041 0.000 1.020 237 R CA -0.427 55.695 56.100 0.037 0.000 0.899 237 R CB 2.116 32.416 30.300 0.001 0.000 1.205 237 R HN 0.217 nan 8.270 nan 0.000 0.450 238 A N 1.770 124.558 122.820 -0.053 0.000 2.479 238 A HA 0.790 5.127 4.320 0.027 0.000 0.296 238 A C -1.196 176.299 177.584 -0.147 0.000 1.121 238 A CA -0.731 51.182 52.037 -0.206 0.000 0.743 238 A CB 2.110 20.992 19.000 -0.197 0.000 1.323 238 A HN 0.341 nan 8.150 nan 0.000 0.415 239 V N 1.322 121.126 119.914 -0.184 0.000 2.487 239 V HA 0.420 4.557 4.120 0.027 0.000 0.298 239 V C -0.557 175.478 176.094 -0.099 0.000 1.028 239 V CA -0.383 61.855 62.300 -0.104 0.000 0.860 239 V CB 1.446 33.207 31.823 -0.103 0.000 0.991 239 V HN 0.804 nan 8.190 nan 0.000 0.427 240 L N 4.586 125.792 121.223 -0.027 0.000 2.276 240 L HA 0.605 4.962 4.340 0.027 0.000 0.286 240 L C -0.008 176.826 176.870 -0.060 0.000 1.061 240 L CA 0.057 54.859 54.840 -0.063 0.000 0.807 240 L CB 1.088 43.148 42.059 0.001 0.000 1.177 240 L HN 0.797 nan 8.230 nan 0.000 0.429 241 E N 4.347 124.506 120.200 -0.069 0.000 2.165 241 E HA 0.651 5.018 4.350 0.027 0.000 0.266 241 E C -1.413 175.179 176.600 -0.012 0.000 0.889 241 E CA -0.739 55.637 56.400 -0.040 0.000 0.756 241 E CB 1.683 31.359 29.700 -0.040 0.000 1.131 241 E HN 0.709 nan 8.360 nan 0.000 0.411 242 A N 4.699 127.519 122.820 -0.001 0.000 2.310 242 A HA 0.305 4.642 4.320 0.027 0.000 0.304 242 A C -0.674 176.918 177.584 0.014 0.000 1.231 242 A CA -0.663 51.396 52.037 0.037 0.000 0.799 242 A CB 0.984 20.007 19.000 0.037 0.000 1.162 242 A HN 0.734 nan 8.150 nan 0.000 0.486 243 E N 2.606 122.813 120.200 0.012 0.000 2.200 243 E HA 0.521 4.887 4.350 0.027 0.000 0.283 243 E C -1.268 175.288 176.600 -0.074 0.000 1.015 243 E CA -0.335 56.030 56.400 -0.058 0.000 0.819 243 E CB 1.069 30.706 29.700 -0.105 0.000 1.081 243 E HN 0.377 nan 8.360 nan 0.000 0.397 244 V N 4.907 124.799 119.914 -0.037 0.000 2.495 244 V HA 0.285 4.421 4.120 0.027 0.000 0.298 244 V C -0.374 175.787 176.094 0.111 0.000 1.031 244 V CA -0.785 61.540 62.300 0.042 0.000 0.871 244 V CB 1.641 33.471 31.823 0.013 0.000 0.988 244 V HN 0.744 nan 8.190 nan 0.000 0.432 245 Q N 4.091 123.960 119.800 0.115 0.000 2.345 245 Q HA 0.833 5.190 4.340 0.027 0.000 0.268 245 Q C -0.823 175.246 176.000 0.114 0.000 1.054 245 Q CA -0.890 54.979 55.803 0.110 0.000 0.835 245 Q CB 2.679 31.420 28.738 0.004 0.000 1.339 245 Q HN 0.816 nan 8.270 nan 0.000 0.447 246 M N -0.949 118.641 119.600 -0.017 0.000 2.690 246 M HA 0.747 5.244 4.480 0.027 0.000 0.302 246 M C -1.339 174.867 176.300 -0.157 0.000 1.234 246 M CA -0.505 54.702 55.300 -0.155 0.000 0.853 246 M CB 1.568 33.874 32.600 -0.490 0.000 1.748 246 M HN 0.519 nan 8.290 nan 0.000 0.469 247 C N 0.635 119.853 119.300 -0.137 0.000 2.779 247 C HA 1.040 5.516 4.460 0.027 0.000 0.314 247 C C 0.628 175.538 174.990 -0.133 0.000 1.231 247 C CA 0.581 59.533 59.018 -0.111 0.000 1.652 247 C CB 1.154 28.858 27.740 -0.061 0.000 2.198 247 C HN 1.424 nan 8.230 nan 0.000 0.483 248 G N 1.436 110.170 108.800 -0.110 0.000 2.422 248 G HA2 0.033 4.010 3.960 0.027 0.000 0.607 248 G HA3 0.033 4.010 3.960 0.027 0.000 0.607 248 G C -1.055 173.772 174.900 -0.122 0.000 1.270 248 G CA -0.376 44.662 45.100 -0.103 0.000 0.992 248 G HN 0.947 nan 8.290 nan 0.000 0.499 249 E N 0.026 120.161 120.200 -0.108 0.000 2.229 249 E HA 0.456 4.822 4.350 0.027 0.000 0.283 249 E C 0.303 176.800 176.600 -0.170 0.000 1.030 249 E CA -0.617 55.714 56.400 -0.115 0.000 0.836 249 E CB 0.494 30.150 29.700 -0.073 0.000 1.068 249 E HN 0.484 nan 8.360 nan 0.000 0.401 250 L N 4.957 126.070 121.223 -0.182 0.000 2.455 250 L HA 0.217 4.574 4.340 0.027 0.000 0.272 250 L C 0.560 177.296 176.870 -0.224 0.000 1.174 250 L CA 0.173 54.879 54.840 -0.223 0.000 0.869 250 L CB 0.289 42.244 42.059 -0.174 0.000 1.130 250 L HN 0.448 nan 8.230 nan 0.000 0.474 251 R N 1.778 122.090 120.500 -0.313 0.000 2.698 251 R HA 0.191 4.547 4.340 0.027 0.000 0.275 251 R C -0.214 175.840 176.300 -0.410 0.000 1.001 251 R CA -0.809 55.020 56.100 -0.452 0.000 0.896 251 R CB 1.667 31.410 30.300 -0.928 0.000 1.218 251 R HN 0.511 nan 8.270 nan 0.000 0.462 252 D N 0.984 121.224 120.400 -0.266 0.000 2.263 252 D HA -0.141 4.515 4.640 0.027 0.000 0.208 252 D C 1.441 177.698 176.300 -0.073 0.000 0.971 252 D CA 1.554 55.487 54.000 -0.111 0.000 0.867 252 D CB 0.112 40.897 40.800 -0.025 0.000 0.929 252 D HN 0.565 nan 8.370 nan 0.000 0.492 253 Y N -0.302 120.010 120.300 0.019 0.000 2.490 253 Y HA 0.302 4.869 4.550 0.028 0.000 0.281 253 Y C 0.676 176.579 175.900 0.006 0.000 1.174 253 Y CA -0.540 57.568 58.100 0.013 0.000 1.295 253 Y CB -0.888 37.580 38.460 0.014 0.000 1.062 253 Y HN -0.201 nan 8.280 nan 0.000 0.522 254 L N 2.487 123.661 121.223 -0.082 0.000 2.417 254 L HA 0.352 4.709 4.340 0.027 0.000 0.268 254 L C 0.213 177.084 176.870 0.001 0.000 1.158 254 L CA -0.241 54.627 54.840 0.045 0.000 0.819 254 L CB 0.559 42.666 42.059 0.079 0.000 1.112 254 L HN 0.146 nan 8.230 nan 0.000 0.458 255 R N 1.606 122.002 120.500 -0.174 0.000 2.774 255 R HA 0.667 5.024 4.340 0.027 0.000 0.272 255 R C -1.504 174.488 176.300 -0.513 0.000 1.000 255 R CA -0.808 55.042 56.100 -0.417 0.000 0.906 255 R CB 2.186 32.060 30.300 -0.709 0.000 1.227 255 R HN 0.262 nan 8.270 nan 0.000 0.468 256 V N 1.032 120.672 119.914 -0.456 0.000 2.540 256 V HA 0.472 4.608 4.120 0.027 0.000 0.302 256 V C -0.247 175.789 176.094 -0.097 0.000 1.035 256 V CA -0.557 61.573 62.300 -0.285 0.000 0.873 256 V CB 2.253 33.831 31.823 -0.407 0.000 0.992 256 V HN 0.706 nan 8.190 nan 0.000 0.428 257 T N 4.094 118.702 114.554 0.091 0.000 2.807 257 T HA 0.609 4.976 4.350 0.027 0.000 0.279 257 T C -0.570 174.141 174.700 0.019 0.000 0.993 257 T CA -0.343 61.818 62.100 0.102 0.000 0.970 257 T CB 1.606 70.580 68.868 0.175 0.000 0.950 257 T HN 0.347 nan 8.240 nan 0.000 0.441 258 V N 3.939 123.846 119.914 -0.012 0.000 2.448 258 V HA 0.650 4.787 4.120 0.027 0.000 0.295 258 V C 0.018 176.110 176.094 -0.003 0.000 1.025 258 V CA -0.769 61.521 62.300 -0.016 0.000 0.859 258 V CB 1.673 33.477 31.823 -0.033 0.000 0.988 258 V HN 1.052 nan 8.190 nan 0.000 0.431 259 S N 5.224 120.947 115.700 0.037 0.000 2.536 259 S HA 0.874 5.361 4.470 0.027 0.000 0.298 259 S C -1.075 173.553 174.600 0.047 0.000 1.083 259 S CA -0.790 57.410 58.200 -0.001 0.000 0.995 259 S CB 2.210 65.429 63.200 0.031 0.000 1.058 259 S HN 0.544 nan 8.310 nan 0.000 0.488 260 L N 2.052 123.211 121.223 -0.107 0.000 2.341 260 L HA 0.804 5.161 4.340 0.027 0.000 0.278 260 L C -2.001 174.808 176.870 -0.103 0.000 1.005 260 L CA -0.274 54.593 54.840 0.045 0.000 0.818 260 L CB 0.993 43.093 42.059 0.069 0.000 1.259 260 L HN 0.897 nan 8.230 nan 0.000 0.418 261 W N 3.578 124.987 121.300 0.180 0.000 2.844 261 W HA 0.595 5.271 4.660 0.027 0.000 0.340 261 W C -0.562 176.048 176.519 0.152 0.000 1.093 261 W CA -0.491 56.934 57.345 0.134 0.000 1.212 261 W CB 1.445 30.934 29.460 0.048 0.000 1.422 261 W HN 0.299 nan 8.180 nan 0.000 0.515 262 Q N 2.170 122.121 119.800 0.252 0.000 2.401 262 Q HA 0.442 4.798 4.340 0.027 0.000 0.260 262 Q C 0.636 176.649 176.000 0.022 0.000 1.034 262 Q CA 0.544 56.303 55.803 -0.074 0.000 0.737 262 Q CB 1.160 29.774 28.738 -0.207 0.000 1.227 262 Q HN 0.810 nan 8.270 nan 0.000 0.488 263 G N 4.201 113.016 108.800 0.025 0.000 2.561 263 G HA2 -0.322 3.654 3.960 0.027 0.000 0.289 263 G HA3 -0.322 3.654 3.960 0.027 0.000 0.289 263 G C 0.356 175.321 174.900 0.110 0.000 1.169 263 G CA 0.417 45.539 45.100 0.036 0.000 0.980 263 G HN 0.655 nan 8.290 nan 0.000 0.550 264 E N 1.108 121.373 120.200 0.108 0.000 2.474 264 E HA 0.160 4.527 4.350 0.027 0.000 0.195 264 E C 0.458 177.253 176.600 0.326 0.000 1.039 264 E CA 0.623 57.118 56.400 0.158 0.000 0.881 264 E CB 0.378 30.119 29.700 0.068 0.000 0.970 264 E HN 0.390 nan 8.360 nan 0.000 0.486 265 T N 1.770 116.493 114.554 0.282 0.000 2.767 265 T HA 0.140 4.506 4.350 0.027 0.000 0.288 265 T C -0.010 174.742 174.700 0.086 0.000 0.963 265 T CA -0.354 61.857 62.100 0.186 0.000 1.019 265 T CB 1.907 70.817 68.868 0.069 0.000 0.923 265 T HN -0.003 nan 8.240 nan 0.000 0.468 266 Q N 2.850 122.468 119.800 -0.304 0.000 2.288 266 Q HA 0.280 4.637 4.340 0.027 0.000 0.258 266 Q C 0.276 176.036 176.000 -0.400 0.000 0.957 266 Q CA -0.338 54.948 55.803 -0.862 0.000 0.919 266 Q CB 0.838 28.824 28.738 -1.253 0.000 1.185 266 Q HN 0.545 nan 8.270 nan 0.000 0.408 267 V N 2.756 122.490 119.914 -0.299 0.000 2.685 267 V HA 0.290 4.426 4.120 0.027 0.000 0.244 267 V C 0.249 176.250 176.094 -0.154 0.000 1.054 267 V CA 1.199 63.422 62.300 -0.128 0.000 1.076 267 V CB 0.502 32.337 31.823 0.020 0.000 0.725 267 V HN 0.808 nan 8.190 nan 0.000 0.467 268 A N -1.174 121.522 122.820 -0.207 0.000 2.608 268 A HA 0.782 5.118 4.320 0.027 0.000 0.292 268 A C -0.816 176.661 177.584 -0.178 0.000 1.066 268 A CA 0.055 51.998 52.037 -0.157 0.000 0.676 268 A CB 1.909 20.851 19.000 -0.098 0.000 1.277 268 A HN 0.093 nan 8.150 nan 0.000 0.413 269 S N -0.873 114.751 115.700 -0.128 0.000 2.537 269 S HA 0.807 5.293 4.470 0.027 0.000 0.271 269 S C -0.592 173.968 174.600 -0.066 0.000 1.148 269 S CA 0.241 58.380 58.200 -0.103 0.000 0.868 269 S CB 1.653 64.782 63.200 -0.119 0.000 1.115 269 S HN 2.370 nan 8.310 nan 0.000 0.461 270 G N 1.582 110.355 108.800 -0.046 0.000 2.733 270 G HA2 0.642 4.619 3.960 0.027 0.000 0.297 270 G HA3 0.642 4.619 3.960 0.027 0.000 0.297 270 G C -1.401 173.483 174.900 -0.026 0.000 1.422 270 G CA -0.419 44.658 45.100 -0.038 0.000 0.942 270 G HN 0.726 nan 8.290 nan 0.000 0.510 271 T N -0.139 114.402 114.554 -0.022 0.000 2.900 271 T HA 0.857 5.223 4.350 0.027 0.000 0.295 271 T C -0.313 174.350 174.700 -0.060 0.000 1.044 271 T CA -0.050 62.041 62.100 -0.015 0.000 0.995 271 T CB 1.848 70.744 68.868 0.047 0.000 1.072 271 T HN 1.513 nan 8.240 nan 0.000 0.473 272 A N 3.274 126.021 122.820 -0.120 0.000 2.606 272 A HA 0.924 5.261 4.320 0.027 0.000 0.293 272 A C -3.071 174.377 177.584 -0.227 0.000 1.082 272 A CA -1.626 50.324 52.037 -0.145 0.000 0.685 272 A CB 1.362 20.272 19.000 -0.150 0.000 1.284 272 A HN 0.536 nan 8.150 nan 0.000 0.408 273 P HA 0.547 nan 4.420 nan 0.000 0.278 273 P C -0.635 176.534 177.300 -0.218 0.000 1.266 273 P CA -0.312 62.693 63.100 -0.159 0.000 0.807 273 P CB 0.377 32.048 31.700 -0.047 0.000 1.094 274 F N -0.191 119.717 119.950 -0.069 0.000 2.444 274 F HA 0.480 5.023 4.527 0.027 0.000 0.331 274 F C 1.458 177.239 175.800 -0.032 0.000 1.167 274 F CA 1.522 59.492 58.000 -0.050 0.000 1.262 274 F CB 0.162 39.128 39.000 -0.057 0.000 1.196 274 F HN 0.579 nan 8.300 nan 0.000 0.583 275 G N 1.354 110.272 108.800 0.197 0.000 2.789 275 G HA2 0.387 4.364 3.960 0.027 0.000 0.353 275 G HA3 0.387 4.364 3.960 0.027 0.000 0.353 275 G C -0.560 174.391 174.900 0.084 0.000 1.220 275 G CA -0.708 44.464 45.100 0.120 0.000 1.204 275 G HN 1.020 nan 8.290 nan 0.000 0.574 276 G N 0.667 109.538 108.800 0.117 0.000 2.547 276 G HA2 0.733 4.710 3.960 0.027 0.000 0.291 276 G HA3 0.733 4.710 3.960 0.027 0.000 0.291 276 G C 0.420 175.364 174.900 0.074 0.000 1.211 276 G CA -0.016 45.143 45.100 0.098 0.000 0.950 276 G HN 1.147 nan 8.290 nan 0.000 0.504 277 E N -0.640 119.596 120.200 0.060 0.000 2.422 277 E HA 0.125 4.492 4.350 0.027 0.000 0.260 277 E C -0.275 176.352 176.600 0.046 0.000 1.108 277 E CA -0.753 55.672 56.400 0.042 0.000 0.943 277 E CB 0.533 30.251 29.700 0.031 0.000 0.961 277 E HN 0.073 nan 8.360 nan 0.000 0.443 278 I N 2.445 123.029 120.570 0.023 0.000 2.752 278 I HA -0.155 4.031 4.170 0.027 0.000 0.289 278 I C 0.991 177.119 176.117 0.018 0.000 1.197 278 I CA 0.066 61.371 61.300 0.009 0.000 1.432 278 I CB -0.111 37.889 38.000 0.000 0.000 1.359 278 I HN 0.703 nan 8.210 nan 0.000 0.571 279 I N 4.057 124.630 120.570 0.005 0.000 3.300 279 I HA 0.068 4.254 4.170 0.027 0.000 0.279 279 I C 0.598 176.715 176.117 -0.000 0.000 1.172 279 I CA 0.852 62.165 61.300 0.022 0.000 1.431 279 I CB -0.491 37.522 38.000 0.022 0.000 1.240 279 I HN 0.670 nan 8.210 nan 0.000 0.453 280 D N -1.364 119.021 120.400 -0.025 0.000 3.103 280 D HA 0.109 4.766 4.640 0.027 0.000 0.337 280 D C 0.381 176.664 176.300 -0.028 0.000 1.356 280 D CA -0.396 53.591 54.000 -0.021 0.000 0.951 280 D CB 0.491 41.278 40.800 -0.022 0.000 1.438 280 D HN -0.263 nan 8.370 nan 0.000 0.562 281 E N -1.084 119.101 120.200 -0.024 0.000 2.333 281 E HA -0.017 4.349 4.350 0.027 0.000 0.198 281 E C 1.370 177.951 176.600 -0.031 0.000 1.007 281 E CA 0.873 57.259 56.400 -0.023 0.000 0.845 281 E CB -0.000 29.689 29.700 -0.018 0.000 0.766 281 E HN 0.198 nan 8.360 nan 0.000 0.507 282 R N -0.414 120.059 120.500 -0.045 0.000 2.317 282 R HA 0.275 4.631 4.340 0.027 0.000 0.208 282 R C 0.853 177.112 176.300 -0.069 0.000 0.914 282 R CA 0.732 56.798 56.100 -0.056 0.000 1.060 282 R CB 0.639 30.898 30.300 -0.067 0.000 1.015 282 R HN 0.210 nan 8.270 nan 0.000 0.498 283 G N -0.699 108.061 108.800 -0.066 0.000 2.341 283 G HA2 -0.070 3.906 3.960 0.027 0.000 0.196 283 G HA3 -0.070 3.906 3.960 0.027 0.000 0.196 283 G C -0.299 174.547 174.900 -0.090 0.000 1.231 283 G CA -0.618 44.442 45.100 -0.066 0.000 1.155 283 G HN 0.456 nan 8.290 nan 0.000 0.529 284 G N -1.975 106.769 108.800 -0.093 0.000 3.176 284 G HA2 0.649 4.626 3.960 0.027 0.000 0.272 284 G HA3 0.649 4.626 3.960 0.027 0.000 0.272 284 G C -1.609 173.192 174.900 -0.165 0.000 1.349 284 G CA -0.743 44.305 45.100 -0.087 0.000 0.953 284 G HN 0.762 nan 8.290 nan 0.000 0.559 285 Y N 0.882 121.195 120.300 0.020 0.000 2.425 285 Y HA 0.436 5.003 4.550 0.027 0.000 0.347 285 Y C 1.397 177.319 175.900 0.036 0.000 0.976 285 Y CA 0.154 58.269 58.100 0.025 0.000 1.190 285 Y CB 1.798 40.278 38.460 0.034 0.000 1.136 285 Y HN 0.537 nan 8.280 nan 0.000 0.517 286 A N 1.789 124.681 122.820 0.120 0.000 2.119 286 A HA -0.124 4.212 4.320 0.027 0.000 0.217 286 A C 1.367 179.015 177.584 0.105 0.000 1.153 286 A CA 1.283 53.374 52.037 0.089 0.000 0.692 286 A CB -0.278 18.735 19.000 0.022 0.000 0.799 286 A HN 0.796 nan 8.150 nan 0.000 0.458 287 D N -0.799 119.663 120.400 0.103 0.000 2.358 287 D HA 0.124 4.781 4.640 0.027 0.000 0.224 287 D C 0.495 176.878 176.300 0.139 0.000 1.123 287 D CA -0.021 53.967 54.000 -0.020 0.000 0.833 287 D CB -0.034 40.732 40.800 -0.057 0.000 0.946 287 D HN 0.385 nan 8.370 nan 0.000 0.505 288 R N -0.871 119.825 120.500 0.326 0.000 2.836 288 R HA 0.740 5.097 4.340 0.027 0.000 0.269 288 R C -1.620 174.834 176.300 0.257 0.000 1.010 288 R CA -1.136 55.151 56.100 0.311 0.000 0.930 288 R CB 2.987 33.337 30.300 0.082 0.000 1.218 288 R HN -0.020 nan 8.270 nan 0.000 0.473 289 V N 0.271 120.224 119.914 0.065 0.000 3.012 289 V HA 0.523 4.660 4.120 0.027 0.000 0.307 289 V C -1.474 174.571 176.094 -0.081 0.000 1.166 289 V CA -0.303 61.949 62.300 -0.080 0.000 0.974 289 V CB 2.775 34.410 31.823 -0.314 0.000 1.040 289 V HN 0.809 nan 8.190 nan 0.000 0.428 290 T N 7.151 121.666 114.554 -0.064 0.000 2.786 290 T HA 0.559 4.925 4.350 0.027 0.000 0.283 290 T C -0.824 173.840 174.700 -0.061 0.000 0.992 290 T CA -0.386 61.683 62.100 -0.052 0.000 0.954 290 T CB 0.979 69.831 68.868 -0.027 0.000 0.934 290 T HN 0.441 nan 8.240 nan 0.000 0.440 291 L N 3.820 125.006 121.223 -0.062 0.000 2.307 291 L HA 0.545 4.902 4.340 0.027 0.000 0.282 291 L C 0.553 177.397 176.870 -0.043 0.000 1.051 291 L CA -0.286 54.519 54.840 -0.059 0.000 0.804 291 L CB 1.048 43.071 42.059 -0.062 0.000 1.197 291 L HN 0.530 nan 8.230 nan 0.000 0.431 292 R N 4.738 125.213 120.500 -0.042 0.000 2.451 292 R HA 0.624 4.980 4.340 0.027 0.000 0.307 292 R C -1.169 175.107 176.300 -0.040 0.000 0.965 292 R CA -0.695 55.381 56.100 -0.040 0.000 0.865 292 R CB 1.914 32.191 30.300 -0.039 0.000 1.174 292 R HN 0.483 nan 8.270 nan 0.000 0.455 293 L N 2.989 124.190 121.223 -0.037 0.000 2.333 293 L HA 0.427 4.783 4.340 0.027 0.000 0.280 293 L C -0.353 176.493 176.870 -0.039 0.000 1.004 293 L CA -0.983 53.834 54.840 -0.037 0.000 0.820 293 L CB 1.874 43.916 42.059 -0.029 0.000 1.247 293 L HN 0.479 nan 8.230 nan 0.000 0.416 294 N N 1.688 120.358 118.700 -0.050 0.000 2.514 294 N HA 0.446 5.202 4.740 0.027 0.000 0.277 294 N C -1.037 174.427 175.510 -0.077 0.000 1.126 294 N CA -0.259 52.756 53.050 -0.059 0.000 0.978 294 N CB 1.797 40.252 38.487 -0.054 0.000 1.106 294 N HN 0.204 nan 8.380 nan 0.000 0.461 295 V N 1.959 121.810 119.914 -0.106 0.000 2.482 295 V HA 0.263 4.400 4.120 0.027 0.000 0.295 295 V C -0.468 175.541 176.094 -0.143 0.000 1.026 295 V CA -0.825 61.372 62.300 -0.172 0.000 0.856 295 V CB 1.457 33.064 31.823 -0.361 0.000 1.001 295 V HN 0.572 nan 8.190 nan 0.000 0.424 296 E N 2.903 123.046 120.200 -0.096 0.000 2.266 296 E HA 0.338 4.705 4.350 0.027 0.000 0.277 296 E C 0.214 176.788 176.600 -0.043 0.000 1.018 296 E CA -0.454 55.915 56.400 -0.052 0.000 0.840 296 E CB 0.813 30.493 29.700 -0.033 0.000 1.082 296 E HN 0.742 nan 8.360 nan 0.000 0.395 297 N N 1.082 119.778 118.700 -0.006 0.000 2.705 297 N HA -0.150 4.606 4.740 0.027 0.000 0.255 297 N C -2.477 173.035 175.510 0.003 0.000 1.008 297 N CA 0.155 53.217 53.050 0.020 0.000 0.742 297 N CB -1.053 37.449 38.487 0.025 0.000 0.906 297 N HN 0.308 nan 8.380 nan 0.000 0.541 298 P HA -0.008 nan 4.420 nan 0.000 0.269 298 P C -0.418 176.921 177.300 0.065 0.000 1.209 298 P CA 0.372 63.383 63.100 -0.150 0.000 0.776 298 P CB 0.713 32.145 31.700 -0.447 0.000 0.876 299 K N 2.574 123.102 120.400 0.214 0.000 2.316 299 K HA 0.286 4.623 4.320 0.027 0.000 0.289 299 K C 0.220 176.995 176.600 0.291 0.000 1.070 299 K CA -0.376 56.034 56.287 0.205 0.000 0.928 299 K CB 0.199 32.796 32.500 0.162 0.000 1.039 299 K HN 0.421 nan 8.250 nan 0.000 0.480 300 L N 2.566 123.886 121.223 0.161 0.000 2.395 300 L HA 0.286 4.643 4.340 0.027 0.000 0.269 300 L C -0.035 176.921 176.870 0.142 0.000 1.133 300 L CA -0.778 54.155 54.840 0.155 0.000 0.812 300 L CB 0.461 42.447 42.059 -0.122 0.000 1.125 300 L HN 0.614 nan 8.230 nan 0.000 0.452 301 W N 3.132 124.462 121.300 0.049 0.000 2.365 301 W HA 0.464 5.140 4.660 0.026 0.000 0.316 301 W C -0.007 176.463 176.519 -0.081 0.000 1.164 301 W CA 0.073 57.434 57.345 0.026 0.000 1.204 301 W CB 1.314 30.841 29.460 0.113 0.000 1.213 301 W HN 0.600 nan 8.180 nan 0.000 0.539 302 S N 2.937 118.122 115.700 -0.858 0.000 2.656 302 S HA 0.658 5.144 4.470 0.027 0.000 0.273 302 S C 0.108 173.931 174.600 -1.295 0.000 1.168 302 S CA -0.366 57.363 58.200 -0.784 0.000 0.817 302 S CB 1.167 64.188 63.200 -0.299 0.000 1.146 302 S HN 0.976 nan 8.310 nan 0.000 0.475 303 A N 0.349 122.584 122.820 -0.975 0.000 2.066 303 A HA 0.079 4.415 4.320 0.027 0.000 0.218 303 A C 1.741 179.003 177.584 -0.537 0.000 1.157 303 A CA 1.331 52.796 52.037 -0.953 0.000 0.670 303 A CB -0.916 17.422 19.000 -1.102 0.000 0.804 303 A HN 0.866 nan 8.150 nan 0.000 0.453 304 E N -0.714 119.308 120.200 -0.296 0.000 2.072 304 E HA 0.046 4.412 4.350 0.027 0.000 0.190 304 E C -0.215 176.248 176.600 -0.228 0.000 0.982 304 E CA 0.714 57.000 56.400 -0.190 0.000 0.803 304 E CB 0.016 29.732 29.700 0.026 0.000 0.755 304 E HN 0.592 nan 8.360 nan 0.000 0.453 305 I N 1.853 122.265 120.570 -0.263 0.000 2.542 305 I HA 0.152 4.338 4.170 0.027 0.000 0.278 305 I C -2.471 173.427 176.117 -0.364 0.000 1.069 305 I CA -1.882 59.282 61.300 -0.226 0.000 1.100 305 I CB 2.249 40.170 38.000 -0.132 0.000 1.204 305 I HN -0.202 nan 8.210 nan 0.000 0.470 306 P HA 0.072 nan 4.420 nan 0.000 0.226 306 P C -0.573 176.721 177.300 -0.010 0.000 1.783 306 P CA -0.249 62.544 63.100 -0.511 0.000 0.980 306 P CB -0.254 31.307 31.700 -0.232 0.000 1.967 307 N N 1.661 120.380 118.700 0.031 0.000 2.454 307 N HA 0.108 4.865 4.740 0.027 0.000 0.260 307 N C 0.097 175.837 175.510 0.383 0.000 1.218 307 N CA 0.511 53.657 53.050 0.160 0.000 0.904 307 N CB 0.706 39.288 38.487 0.158 0.000 1.065 307 N HN 0.318 nan 8.380 nan 0.000 0.462 308 L N 2.444 123.818 121.223 0.252 0.000 2.370 308 L HA 0.467 4.824 4.340 0.027 0.000 0.266 308 L C -0.753 176.233 176.870 0.194 0.000 1.002 308 L CA -0.855 54.180 54.840 0.325 0.000 0.818 308 L CB 1.270 43.478 42.059 0.249 0.000 1.325 308 L HN 0.381 nan 8.230 nan 0.000 0.418 309 Y N 0.381 120.837 120.300 0.259 0.000 2.631 309 Y HA 0.652 5.219 4.550 0.028 0.000 0.328 309 Y C -0.131 175.891 175.900 0.203 0.000 1.118 309 Y CA -0.856 57.396 58.100 0.254 0.000 1.206 309 Y CB 1.484 40.158 38.460 0.357 0.000 1.337 309 Y HN 0.377 nan 8.280 nan 0.000 0.515 310 R N 0.920 121.654 120.500 0.390 0.000 2.393 310 R HA 0.772 5.128 4.340 0.027 0.000 0.315 310 R C -1.537 174.950 176.300 0.311 0.000 0.952 310 R CA -0.500 55.762 56.100 0.270 0.000 0.842 310 R CB 0.985 31.380 30.300 0.158 0.000 1.163 310 R HN 0.737 nan 8.270 nan 0.000 0.450 311 A N 3.841 126.788 122.820 0.212 0.000 2.274 311 A HA 0.585 4.921 4.320 0.027 0.000 0.309 311 A C -0.925 176.714 177.584 0.091 0.000 1.226 311 A CA -0.590 51.547 52.037 0.166 0.000 0.853 311 A CB 1.120 20.188 19.000 0.114 0.000 1.146 311 A HN 0.493 nan 8.150 nan 0.000 0.518 312 V N 3.712 123.684 119.914 0.098 0.000 2.409 312 V HA 0.356 4.492 4.120 0.027 0.000 0.291 312 V C -0.382 175.684 176.094 -0.046 0.000 1.020 312 V CA -0.462 61.838 62.300 -0.001 0.000 0.848 312 V CB 1.626 33.473 31.823 0.040 0.000 0.990 312 V HN 0.622 nan 8.190 nan 0.000 0.430 313 V N 5.093 124.912 119.914 -0.158 0.000 2.328 313 V HA 0.422 4.559 4.120 0.027 0.000 0.278 313 V C -0.028 176.007 176.094 -0.099 0.000 1.021 313 V CA -0.556 61.632 62.300 -0.187 0.000 0.838 313 V CB 1.312 32.873 31.823 -0.438 0.000 0.999 313 V HN 0.910 nan 8.190 nan 0.000 0.447 314 E N 3.806 124.000 120.200 -0.009 0.000 2.166 314 E HA 0.528 4.894 4.350 0.027 0.000 0.275 314 E C -1.075 175.611 176.600 0.143 0.000 0.941 314 E CA -0.870 55.572 56.400 0.071 0.000 0.784 314 E CB 2.532 32.293 29.700 0.101 0.000 1.115 314 E HN 0.454 nan 8.360 nan 0.000 0.399 315 L N 4.493 125.788 121.223 0.120 0.000 2.287 315 L HA 0.414 4.771 4.340 0.027 0.000 0.287 315 L C -0.995 175.987 176.870 0.186 0.000 1.022 315 L CA 0.078 54.985 54.840 0.113 0.000 0.814 315 L CB 0.168 42.276 42.059 0.082 0.000 1.217 315 L HN 0.698 nan 8.230 nan 0.000 0.420 316 H N 0.221 119.334 119.070 0.073 0.000 2.933 316 H HA 0.797 5.370 4.556 0.027 0.000 0.310 316 H C -0.815 174.586 175.328 0.122 0.000 1.351 316 H CA -0.513 55.579 56.048 0.075 0.000 1.137 316 H CB 0.789 30.576 29.762 0.042 0.000 1.853 316 H HN 0.496 nan 8.280 nan 0.000 0.539 317 T N -2.202 112.502 114.554 0.250 0.000 2.927 317 T HA 0.569 4.935 4.350 0.027 0.000 0.281 317 T C 1.355 176.197 174.700 0.237 0.000 0.998 317 T CA -0.408 61.826 62.100 0.223 0.000 1.019 317 T CB 1.588 70.532 68.868 0.126 0.000 1.061 317 T HN 0.924 nan 8.240 nan 0.000 0.518 318 A N 1.174 124.102 122.820 0.180 0.000 1.972 318 A HA -0.078 4.259 4.320 0.027 0.000 0.219 318 A C 1.847 179.504 177.584 0.122 0.000 1.169 318 A CA 1.797 53.923 52.037 0.148 0.000 0.635 318 A CB -1.122 17.950 19.000 0.121 0.000 0.810 318 A HN 0.991 nan 8.150 nan 0.000 0.446 319 D N -2.113 118.330 120.400 0.072 0.000 2.378 319 D HA 0.253 4.909 4.640 0.027 0.000 0.227 319 D C 1.107 177.434 176.300 0.045 0.000 1.012 319 D CA 1.071 55.092 54.000 0.035 0.000 0.905 319 D CB -0.504 40.287 40.800 -0.016 0.000 0.895 319 D HN 0.836 nan 8.370 nan 0.000 0.532 320 G N -1.285 107.573 108.800 0.097 0.000 2.154 320 G HA2 -0.193 3.784 3.960 0.027 0.000 0.186 320 G HA3 -0.193 3.784 3.960 0.027 0.000 0.186 320 G C 0.126 175.045 174.900 0.031 0.000 1.000 320 G CA 0.030 45.156 45.100 0.043 0.000 0.664 320 G HN 0.410 nan 8.290 nan 0.000 0.513 321 T N 1.381 115.974 114.554 0.066 0.000 2.806 321 T HA 0.554 4.921 4.350 0.027 0.000 0.290 321 T C 0.210 174.965 174.700 0.091 0.000 0.966 321 T CA -0.286 61.843 62.100 0.047 0.000 1.060 321 T CB 2.012 70.898 68.868 0.029 0.000 0.927 321 T HN 0.555 nan 8.240 nan 0.000 0.485 322 L N 4.533 125.789 121.223 0.055 0.000 2.380 322 L HA 0.385 4.741 4.340 0.027 0.000 0.273 322 L C 0.716 177.634 176.870 0.081 0.000 1.138 322 L CA 0.338 55.226 54.840 0.080 0.000 0.832 322 L CB 0.143 42.221 42.059 0.031 0.000 1.124 322 L HN 0.715 nan 8.230 nan 0.000 0.454 323 I N 2.492 123.123 120.570 0.102 0.000 2.512 323 I HA 0.130 4.316 4.170 0.027 0.000 0.247 323 I C 0.266 176.409 176.117 0.043 0.000 1.094 323 I CA 0.443 61.785 61.300 0.069 0.000 1.427 323 I CB 0.134 38.180 38.000 0.076 0.000 1.149 323 I HN 0.806 nan 8.210 nan 0.000 0.438 324 E N 0.145 120.371 120.200 0.044 0.000 2.422 324 E HA 0.716 5.082 4.350 0.027 0.000 0.280 324 E C -1.489 175.136 176.600 0.042 0.000 1.091 324 E CA -1.108 55.312 56.400 0.032 0.000 0.849 324 E CB 1.715 31.402 29.700 -0.022 0.000 1.353 324 E HN -0.021 nan 8.360 nan 0.000 0.449 325 A N 0.957 123.827 122.820 0.083 0.000 2.414 325 A HA 0.712 5.048 4.320 0.027 0.000 0.306 325 A C -1.006 176.691 177.584 0.189 0.000 1.054 325 A CA -0.712 51.375 52.037 0.084 0.000 0.724 325 A CB 1.711 20.752 19.000 0.069 0.000 1.267 325 A HN 0.499 nan 8.150 nan 0.000 0.418 326 E N -0.396 119.838 120.200 0.058 0.000 2.355 326 E HA 0.871 5.237 4.350 0.027 0.000 0.261 326 E C -0.488 176.139 176.600 0.046 0.000 0.943 326 E CA -0.414 56.075 56.400 0.149 0.000 0.806 326 E CB 2.344 31.995 29.700 -0.081 0.000 1.286 326 E HN 1.298 nan 8.360 nan 0.000 0.424 327 A N -0.262 122.690 122.820 0.220 0.000 2.544 327 A HA 0.672 5.009 4.320 0.027 0.000 0.291 327 A C -1.181 176.596 177.584 0.320 0.000 1.055 327 A CA -0.334 51.764 52.037 0.101 0.000 0.651 327 A CB 0.495 19.479 19.000 -0.027 0.000 1.296 327 A HN 0.862 nan 8.150 nan 0.000 0.431 328 C N -0.693 118.753 119.300 0.243 0.000 3.318 328 C HA 0.838 5.314 4.460 0.027 0.000 0.322 328 C C -1.336 173.752 174.990 0.163 0.000 1.398 328 C CA -0.919 58.246 59.018 0.245 0.000 1.339 328 C CB 1.129 29.034 27.740 0.276 0.000 1.668 328 C HN 0.819 nan 8.230 nan 0.000 0.462 329 D N 0.938 121.417 120.400 0.132 0.000 2.304 329 D HA 0.558 5.214 4.640 0.027 0.000 0.250 329 D C -0.446 175.909 176.300 0.090 0.000 1.107 329 D CA 0.167 54.245 54.000 0.129 0.000 0.885 329 D CB 1.834 42.714 40.800 0.132 0.000 1.192 329 D HN 0.537 nan 8.370 nan 0.000 0.436 330 V N 1.240 121.235 119.914 0.135 0.000 2.540 330 V HA 0.663 4.800 4.120 0.027 0.000 0.302 330 V C 0.526 176.685 176.094 0.108 0.000 1.035 330 V CA -0.817 61.511 62.300 0.046 0.000 0.873 330 V CB 2.040 33.876 31.823 0.021 0.000 0.992 330 V HN 0.608 nan 8.190 nan 0.000 0.428 331 G N 3.177 111.930 108.800 -0.078 0.000 2.487 331 G HA2 0.607 4.583 3.960 0.027 0.000 0.314 331 G HA3 0.607 4.583 3.960 0.027 0.000 0.314 331 G C -0.994 173.958 174.900 0.087 0.000 1.267 331 G CA -0.419 44.719 45.100 0.063 0.000 0.937 331 G HN 0.430 nan 8.290 nan 0.000 0.481 332 F N 4.075 124.209 119.950 0.307 0.000 2.462 332 F HA 0.411 4.954 4.527 0.027 0.000 0.360 332 F C 1.170 177.203 175.800 0.389 0.000 1.134 332 F CA -0.026 58.219 58.000 0.409 0.000 1.148 332 F CB 0.592 39.841 39.000 0.415 0.000 1.147 332 F HN 0.443 nan 8.300 nan 0.000 0.550 333 R N 3.032 123.792 120.500 0.433 0.000 2.663 333 R HA 0.420 4.776 4.340 0.027 0.000 0.267 333 R C -1.817 174.629 176.300 0.244 0.000 1.038 333 R CA -0.794 55.409 56.100 0.172 0.000 0.886 333 R CB 1.538 31.982 30.300 0.240 0.000 1.249 333 R HN 0.579 nan 8.270 nan 0.000 0.463 334 E N 1.947 122.194 120.200 0.077 0.000 2.183 334 E HA 0.513 4.880 4.350 0.027 0.000 0.271 334 E C -1.223 175.444 176.600 0.111 0.000 0.919 334 E CA -0.970 55.565 56.400 0.224 0.000 0.781 334 E CB 2.152 32.076 29.700 0.373 0.000 1.140 334 E HN 0.394 nan 8.360 nan 0.000 0.402 335 V N 5.199 125.175 119.914 0.104 0.000 2.487 335 V HA 0.589 4.726 4.120 0.027 0.000 0.298 335 V C -0.286 175.847 176.094 0.065 0.000 1.028 335 V CA -0.669 61.663 62.300 0.053 0.000 0.860 335 V CB 1.408 33.241 31.823 0.015 0.000 0.991 335 V HN 0.760 nan 8.190 nan 0.000 0.427 336 R N 4.119 124.653 120.500 0.057 0.000 2.716 336 R HA 0.734 5.091 4.340 0.027 0.000 0.271 336 R C -2.113 174.213 176.300 0.044 0.000 1.028 336 R CA -0.948 55.189 56.100 0.061 0.000 0.883 336 R CB 1.982 32.334 30.300 0.087 0.000 1.250 336 R HN 0.507 nan 8.270 nan 0.000 0.465 337 I N 1.155 121.751 120.570 0.043 0.000 2.378 337 I HA 0.352 4.539 4.170 0.027 0.000 0.291 337 I C -0.558 175.582 176.117 0.037 0.000 0.992 337 I CA -0.456 60.863 61.300 0.032 0.000 1.154 337 I CB 1.841 39.862 38.000 0.034 0.000 1.315 337 I HN 0.650 nan 8.210 nan 0.000 0.448 338 E N 6.412 126.631 120.200 0.031 0.000 2.278 338 E HA 0.218 4.584 4.350 0.027 0.000 0.272 338 E C -0.383 176.231 176.600 0.023 0.000 0.890 338 E CA -0.539 55.881 56.400 0.033 0.000 0.770 338 E CB 1.260 30.986 29.700 0.043 0.000 1.212 338 E HN 0.601 nan 8.360 nan 0.000 0.415 339 N N 2.983 121.697 118.700 0.022 0.000 2.714 339 N HA -0.233 4.524 4.740 0.027 0.000 0.250 339 N C 0.463 175.979 175.510 0.010 0.000 1.117 339 N CA 2.201 55.261 53.050 0.016 0.000 0.719 339 N CB -1.212 37.283 38.487 0.014 0.000 1.081 339 N HN 0.992 nan 8.380 nan 0.000 0.557 340 G N -2.271 106.535 108.800 0.010 0.000 2.157 340 G HA2 -0.262 3.715 3.960 0.027 0.000 0.248 340 G HA3 -0.262 3.715 3.960 0.027 0.000 0.248 340 G C -0.159 174.736 174.900 -0.009 0.000 0.979 340 G CA 0.386 45.488 45.100 0.003 0.000 0.650 340 G HN 0.438 nan 8.290 nan 0.000 0.529 341 L N 0.068 121.287 121.223 -0.008 0.000 2.362 341 L HA 0.696 5.052 4.340 0.027 0.000 0.271 341 L C 0.086 176.945 176.870 -0.019 0.000 1.002 341 L CA -1.316 53.511 54.840 -0.022 0.000 0.818 341 L CB 1.921 43.967 42.059 -0.021 0.000 1.298 341 L HN 0.106 nan 8.230 nan 0.000 0.420 342 L N 4.434 125.634 121.223 -0.038 0.000 2.315 342 L HA 0.415 4.771 4.340 0.027 0.000 0.283 342 L C -0.854 175.989 176.870 -0.045 0.000 1.089 342 L CA 0.421 55.239 54.840 -0.038 0.000 0.833 342 L CB 0.298 42.322 42.059 -0.058 0.000 1.170 342 L HN 0.381 nan 8.230 nan 0.000 0.442 343 L N 6.091 127.303 121.223 -0.018 0.000 2.329 343 L HA 0.529 4.886 4.340 0.027 0.000 0.279 343 L C -0.795 176.070 176.870 -0.008 0.000 1.014 343 L CA -0.802 54.034 54.840 -0.008 0.000 0.814 343 L CB 1.867 43.944 42.059 0.030 0.000 1.257 343 L HN 0.546 nan 8.230 nan 0.000 0.424 344 L N 4.253 125.476 121.223 0.000 0.000 2.319 344 L HA 0.483 4.839 4.340 0.027 0.000 0.281 344 L C -0.243 176.619 176.870 -0.013 0.000 1.005 344 L CA 0.019 54.865 54.840 0.010 0.000 0.828 344 L CB 0.720 42.786 42.059 0.011 0.000 1.227 344 L HN 0.624 nan 8.230 nan 0.000 0.415 345 N N 3.970 122.505 118.700 -0.275 0.000 2.735 345 N HA -0.209 4.547 4.740 0.027 0.000 0.248 345 N C 0.899 175.980 175.510 -0.715 0.000 1.083 345 N CA 1.277 53.794 53.050 -0.889 0.000 0.703 345 N CB -1.461 36.439 38.487 -0.979 0.000 1.005 345 N HN 1.171 nan 8.380 nan 0.000 0.550 346 G N -2.002 106.685 108.800 -0.189 0.000 2.179 346 G HA2 -0.357 3.620 3.960 0.027 0.000 0.260 346 G HA3 -0.357 3.620 3.960 0.027 0.000 0.260 346 G C -0.051 174.872 174.900 0.039 0.000 0.977 346 G CA 0.948 46.089 45.100 0.068 0.000 0.641 346 G HN 0.423 nan 8.290 nan 0.000 0.533 347 K N 0.793 121.205 120.400 0.020 0.000 2.203 347 K HA 0.553 4.889 4.320 0.027 0.000 0.251 347 K C -2.841 173.727 176.600 -0.053 0.000 0.944 347 K CA -2.198 54.067 56.287 -0.036 0.000 0.829 347 K CB 2.458 34.865 32.500 -0.154 0.000 1.125 347 K HN 0.055 nan 8.250 nan 0.000 0.430 348 P HA 0.229 nan 4.420 nan 0.000 0.282 348 P C -0.130 177.102 177.300 -0.113 0.000 1.262 348 P CA -0.288 62.762 63.100 -0.083 0.000 0.773 348 P CB 0.502 32.157 31.700 -0.073 0.000 0.879 349 L N 3.325 124.477 121.223 -0.117 0.000 2.464 349 L HA 0.276 4.633 4.340 0.027 0.000 0.264 349 L C 0.643 177.430 176.870 -0.138 0.000 1.199 349 L CA -0.541 54.219 54.840 -0.135 0.000 0.818 349 L CB 0.269 42.208 42.059 -0.200 0.000 1.102 349 L HN 0.266 nan 8.230 nan 0.000 0.473 350 L N 3.709 124.867 121.223 -0.108 0.000 2.401 350 L HA 0.413 4.769 4.340 0.027 0.000 0.263 350 L C -0.554 176.266 176.870 -0.082 0.000 1.004 350 L CA -0.231 54.528 54.840 -0.135 0.000 0.881 350 L CB 0.789 42.797 42.059 -0.084 0.000 1.219 350 L HN 0.245 nan 8.230 nan 0.000 0.441 351 I N 4.717 125.172 120.570 -0.191 0.000 2.421 351 I HA 0.179 4.366 4.170 0.027 0.000 0.291 351 I C 0.617 176.701 176.117 -0.056 0.000 1.089 351 I CA 0.269 61.476 61.300 -0.155 0.000 1.354 351 I CB 0.385 38.172 38.000 -0.356 0.000 1.413 351 I HN 0.550 nan 8.210 nan 0.000 0.513 352 R N 4.808 125.362 120.500 0.091 0.000 3.070 352 R HA 0.438 4.795 4.340 0.027 0.000 0.252 352 R C 0.509 176.935 176.300 0.209 0.000 1.370 352 R CA -0.277 55.924 56.100 0.167 0.000 1.482 352 R CB 0.814 31.035 30.300 -0.132 0.000 1.220 352 R HN 0.768 nan 8.270 nan 0.000 0.622 353 G N 0.137 109.024 108.800 0.145 0.000 2.509 353 G HA2 0.579 4.556 3.960 0.027 0.000 0.328 353 G HA3 0.579 4.556 3.960 0.027 0.000 0.328 353 G C -1.290 173.919 174.900 0.516 0.000 1.194 353 G CA -0.464 44.706 45.100 0.117 0.000 0.967 353 G HN 0.234 nan 8.290 nan 0.000 0.488 354 V N 0.212 120.408 119.914 0.470 0.000 2.932 354 V HA 0.442 4.579 4.120 0.027 0.000 0.307 354 V C -1.016 175.232 176.094 0.257 0.000 1.147 354 V CA -1.216 61.254 62.300 0.283 0.000 0.951 354 V CB 2.106 33.821 31.823 -0.180 0.000 1.031 354 V HN 0.774 nan 8.190 nan 0.000 0.426 355 N N 4.402 123.181 118.700 0.131 0.000 2.530 355 N HA 0.390 5.146 4.740 0.027 0.000 0.273 355 N C -0.625 174.732 175.510 -0.255 0.000 1.173 355 N CA -0.182 52.806 53.050 -0.103 0.000 0.967 355 N CB 1.257 39.614 38.487 -0.217 0.000 1.109 355 N HN 0.629 nan 8.380 nan 0.000 0.453 356 R N 1.911 122.223 120.500 -0.314 0.000 2.502 356 R HA 0.206 4.562 4.340 0.027 0.000 0.298 356 R C -0.865 175.221 176.300 -0.358 0.000 1.018 356 R CA -0.542 55.395 56.100 -0.271 0.000 0.899 356 R CB 0.815 30.927 30.300 -0.313 0.000 1.181 356 R HN 0.605 nan 8.270 nan 0.000 0.444 357 H N 2.004 120.953 119.070 -0.203 0.000 2.546 357 H HA 0.135 4.707 4.556 0.028 0.000 0.365 357 H C -0.464 174.871 175.328 0.011 0.000 1.220 357 H CA 0.084 56.096 56.048 -0.060 0.000 1.386 357 H CB 1.368 31.162 29.762 0.052 0.000 1.510 357 H HN 0.546 nan 8.280 nan 0.000 0.591 358 E N 1.595 121.993 120.200 0.331 0.000 2.001 358 E HA 0.121 4.488 4.350 0.027 0.000 0.279 358 E C -0.807 175.952 176.600 0.265 0.000 1.045 358 E CA -0.051 56.470 56.400 0.201 0.000 0.833 358 E CB 0.341 30.180 29.700 0.231 0.000 1.077 358 E HN 0.377 nan 8.360 nan 0.000 0.397 359 H N 1.635 120.776 119.070 0.118 0.000 2.954 359 H HA 0.254 4.827 4.556 0.027 0.000 0.361 359 H C -1.733 173.658 175.328 0.105 0.000 1.122 359 H CA -0.644 55.468 56.048 0.107 0.000 1.217 359 H CB 1.115 30.929 29.762 0.087 0.000 1.776 359 H HN 0.404 nan 8.280 nan 0.000 0.533 360 H N 6.111 124.766 119.070 -0.691 0.000 2.667 360 H HA 0.221 4.794 4.556 0.027 0.000 0.353 360 H C -2.332 172.624 175.328 -0.620 0.000 1.072 360 H CA -2.375 53.419 56.048 -0.423 0.000 1.214 360 H CB 2.786 32.452 29.762 -0.161 0.000 1.600 360 H HN 0.538 nan 8.280 nan 0.000 0.527 361 P HA -0.061 nan 4.420 nan 0.000 0.222 361 P C 1.099 178.279 177.300 -0.199 0.000 1.147 361 P CA 0.735 63.660 63.100 -0.291 0.000 0.790 361 P CB 0.831 32.403 31.700 -0.213 0.000 0.780 362 L N -2.001 119.198 121.223 -0.040 0.000 2.467 362 L HA 0.144 4.501 4.340 0.027 0.000 0.213 362 L C 2.058 178.772 176.870 -0.259 0.000 1.053 362 L CA 0.540 55.260 54.840 -0.200 0.000 0.847 362 L CB -0.559 41.257 42.059 -0.404 0.000 1.075 362 L HN -0.014 nan 8.230 nan 0.000 0.479 363 H N -0.515 118.592 119.070 0.062 0.000 2.551 363 H HA 0.274 4.846 4.556 0.027 0.000 0.271 363 H C 1.433 176.670 175.328 -0.153 0.000 0.984 363 H CA 0.181 56.136 56.048 -0.155 0.000 1.164 363 H CB 0.478 30.020 29.762 -0.367 0.000 1.437 363 H HN 0.375 nan 8.280 nan 0.000 0.550 364 G N 1.511 110.237 108.800 -0.124 0.000 2.557 364 G HA2 -0.395 3.581 3.960 0.027 0.000 0.292 364 G HA3 -0.395 3.581 3.960 0.027 0.000 0.292 364 G C 0.699 175.512 174.900 -0.144 0.000 1.162 364 G CA 0.448 45.417 45.100 -0.218 0.000 0.964 364 G HN 0.467 nan 8.290 nan 0.000 0.541 365 Q N -0.152 119.599 119.800 -0.081 0.000 2.179 365 Q HA 0.467 4.823 4.340 0.027 0.000 0.213 365 Q C 0.252 176.360 176.000 0.180 0.000 0.833 365 Q CA -0.156 55.646 55.803 -0.001 0.000 0.990 365 Q CB 1.511 30.133 28.738 -0.193 0.000 1.132 365 Q HN 0.373 nan 8.270 nan 0.000 0.493 366 V N 2.202 122.196 119.914 0.135 0.000 2.508 366 V HA 0.139 4.276 4.120 0.027 0.000 0.281 366 V C 0.221 176.359 176.094 0.074 0.000 1.041 366 V CA 0.314 62.691 62.300 0.129 0.000 1.016 366 V CB 0.810 32.641 31.823 0.014 0.000 0.984 366 V HN 0.317 nan 8.190 nan 0.000 0.478 367 M N 5.318 124.961 119.600 0.071 0.000 2.472 367 M HA 0.509 5.006 4.480 0.027 0.000 0.331 367 M C -0.413 175.832 176.300 -0.092 0.000 1.170 367 M CA -0.511 54.784 55.300 -0.009 0.000 1.009 367 M CB 1.869 34.421 32.600 -0.081 0.000 1.672 367 M HN 0.826 nan 8.290 nan 0.000 0.453 368 D N 0.199 120.560 120.400 -0.065 0.000 2.490 368 D HA 0.219 4.875 4.640 0.027 0.000 0.232 368 D C 0.115 176.397 176.300 -0.030 0.000 1.053 368 D CA -0.444 53.519 54.000 -0.062 0.000 0.914 368 D CB 1.969 42.750 40.800 -0.032 0.000 1.431 368 D HN 0.729 nan 8.370 nan 0.000 0.483 369 E N 0.277 120.470 120.200 -0.011 0.000 2.085 369 E HA -0.272 4.095 4.350 0.027 0.000 0.194 369 E C 1.742 178.387 176.600 0.075 0.000 0.994 369 E CA 1.299 57.722 56.400 0.038 0.000 0.801 369 E CB 0.173 29.910 29.700 0.061 0.000 0.743 369 E HN 0.502 nan 8.360 nan 0.000 0.453 370 Q N -0.413 119.432 119.800 0.074 0.000 2.096 370 Q HA -0.154 4.203 4.340 0.027 0.000 0.204 370 Q C 2.014 178.079 176.000 0.107 0.000 0.982 370 Q CA 2.082 57.939 55.803 0.091 0.000 0.850 370 Q CB 0.010 28.801 28.738 0.089 0.000 0.901 370 Q HN 0.319 nan 8.270 nan 0.000 0.422 371 T N 0.746 115.374 114.554 0.123 0.000 2.857 371 T HA -0.081 4.286 4.350 0.027 0.000 0.266 371 T C 1.847 176.635 174.700 0.146 0.000 1.048 371 T CA 1.119 63.308 62.100 0.149 0.000 1.139 371 T CB -0.091 68.896 68.868 0.199 0.000 0.874 371 T HN 0.278 nan 8.240 nan 0.000 0.455 372 M N 0.645 120.331 119.600 0.143 0.000 2.080 372 M HA -0.103 4.394 4.480 0.027 0.000 0.260 372 M C 2.449 178.879 176.300 0.217 0.000 1.068 372 M CA 1.402 56.857 55.300 0.258 0.000 1.109 372 M CB -0.707 32.076 32.600 0.305 0.000 1.342 372 M HN 0.101 nan 8.290 nan 0.000 0.405 373 V N 0.247 120.227 119.914 0.111 0.000 2.343 373 V HA -0.292 3.844 4.120 0.027 0.000 0.247 373 V C 2.345 178.428 176.094 -0.018 0.000 1.051 373 V CA 2.088 64.387 62.300 -0.002 0.000 1.036 373 V CB -0.892 30.964 31.823 0.055 0.000 0.654 373 V HN 0.557 nan 8.190 nan 0.000 0.451 374 Q N -0.211 119.628 119.800 0.065 0.000 2.096 374 Q HA -0.281 4.075 4.340 0.027 0.000 0.204 374 Q C 1.966 178.037 176.000 0.119 0.000 0.982 374 Q CA 2.238 58.094 55.803 0.089 0.000 0.850 374 Q CB -0.152 28.657 28.738 0.119 0.000 0.901 374 Q HN 0.614 nan 8.270 nan 0.000 0.422 375 D N 0.204 120.694 120.400 0.151 0.000 2.117 375 D HA -0.131 4.525 4.640 0.027 0.000 0.197 375 D C 1.891 178.139 176.300 -0.088 0.000 0.987 375 D CA 1.101 55.183 54.000 0.137 0.000 0.829 375 D CB -0.131 40.743 40.800 0.123 0.000 0.961 375 D HN 0.365 nan 8.370 nan 0.000 0.460 376 I N 0.515 121.029 120.570 -0.093 0.000 2.315 376 I HA -0.198 3.989 4.170 0.027 0.000 0.248 376 I C 2.359 178.325 176.117 -0.252 0.000 1.117 376 I CA 0.485 61.624 61.300 -0.268 0.000 1.404 376 I CB -0.018 37.709 38.000 -0.455 0.000 1.071 376 I HN -0.015 nan 8.210 nan 0.000 0.419 377 L N 0.060 121.165 121.223 -0.197 0.000 2.046 377 L HA -0.217 4.139 4.340 0.027 0.000 0.208 377 L C 2.496 179.415 176.870 0.082 0.000 1.077 377 L CA 1.350 56.158 54.840 -0.054 0.000 0.747 377 L CB -0.490 41.565 42.059 -0.007 0.000 0.896 377 L HN 0.279 nan 8.230 nan 0.000 0.432 378 L N -1.093 120.203 121.223 0.122 0.000 2.093 378 L HA -0.213 4.144 4.340 0.027 0.000 0.208 378 L C 2.651 179.678 176.870 0.262 0.000 1.085 378 L CA 1.142 56.144 54.840 0.270 0.000 0.755 378 L CB -0.298 42.047 42.059 0.477 0.000 0.904 378 L HN 0.294 nan 8.230 nan 0.000 0.435 379 M N -0.528 119.043 119.600 -0.050 0.000 2.067 379 M HA -0.233 4.263 4.480 0.027 0.000 0.260 379 M C 2.294 178.689 176.300 0.159 0.000 1.069 379 M CA 1.869 57.085 55.300 -0.140 0.000 1.117 379 M CB -0.307 31.966 32.600 -0.545 0.000 1.334 379 M HN 0.078 nan 8.290 nan 0.000 0.407 380 K N -0.047 120.346 120.400 -0.012 0.000 2.097 380 K HA -0.171 4.165 4.320 0.027 0.000 0.205 380 K C 1.950 178.551 176.600 0.002 0.000 1.050 380 K CA 1.250 57.438 56.287 -0.164 0.000 0.938 380 K CB -0.188 32.037 32.500 -0.459 0.000 0.718 380 K HN 0.454 nan 8.250 nan 0.000 0.442 381 Q N 0.369 120.329 119.800 0.267 0.000 2.226 381 Q HA -0.049 4.307 4.340 0.027 0.000 0.204 381 Q C 0.875 177.176 176.000 0.502 0.000 0.975 381 Q CA 0.798 56.872 55.803 0.451 0.000 0.866 381 Q CB 0.116 29.088 28.738 0.390 0.000 0.915 381 Q HN 0.276 nan 8.270 nan 0.000 0.440 382 N N 0.664 119.612 118.700 0.413 0.000 2.279 382 N HA 0.048 4.805 4.740 0.027 0.000 0.226 382 N C -0.637 174.971 175.510 0.162 0.000 1.126 382 N CA 0.027 53.309 53.050 0.386 0.000 0.846 382 N CB 0.637 39.440 38.487 0.526 0.000 1.050 382 N HN 0.172 nan 8.380 nan 0.000 0.502 383 N N 0.129 118.937 118.700 0.180 0.000 2.776 383 N HA -0.182 4.575 4.740 0.027 0.000 0.250 383 N C -0.911 174.493 175.510 -0.176 0.000 1.112 383 N CA 0.807 53.909 53.050 0.088 0.000 0.733 383 N CB -1.761 36.697 38.487 -0.047 0.000 1.097 383 N HN 0.253 nan 8.380 nan 0.000 0.558 384 F N 1.043 121.019 119.950 0.043 0.000 2.379 384 F HA 0.335 4.878 4.527 0.027 0.000 0.332 384 F C 1.748 177.546 175.800 -0.004 0.000 1.096 384 F CA -0.634 57.373 58.000 0.013 0.000 1.105 384 F CB 0.897 39.880 39.000 -0.029 0.000 1.189 384 F HN 0.031 nan 8.300 nan 0.000 0.515 385 N N 0.697 119.513 118.700 0.193 0.000 2.143 385 N HA 0.432 5.188 4.740 0.027 0.000 0.222 385 N C -0.836 174.719 175.510 0.075 0.000 1.264 385 N CA -0.009 53.080 53.050 0.065 0.000 0.897 385 N CB 0.761 39.330 38.487 0.138 0.000 1.092 385 N HN 0.474 nan 8.380 nan 0.000 0.516 386 A N -0.520 122.428 122.820 0.212 0.000 2.606 386 A HA 0.758 5.094 4.320 0.027 0.000 0.293 386 A C -1.780 176.040 177.584 0.393 0.000 1.082 386 A CA -0.708 51.524 52.037 0.326 0.000 0.685 386 A CB 1.855 21.072 19.000 0.362 0.000 1.284 386 A HN 0.225 nan 8.150 nan 0.000 0.408 387 V N 1.116 121.314 119.914 0.473 0.000 2.808 387 V HA 0.774 4.910 4.120 0.027 0.000 0.308 387 V C -0.633 175.603 176.094 0.237 0.000 1.099 387 V CA -0.672 61.850 62.300 0.370 0.000 0.920 387 V CB 1.856 33.828 31.823 0.247 0.000 1.014 387 V HN 1.127 nan 8.190 nan 0.000 0.425 388 R N 5.006 125.493 120.500 -0.022 0.000 2.346 388 R HA 0.494 4.850 4.340 0.027 0.000 0.311 388 R C -0.754 175.410 176.300 -0.228 0.000 0.983 388 R CA -0.446 55.443 56.100 -0.353 0.000 0.880 388 R CB 1.119 30.963 30.300 -0.760 0.000 1.100 388 R HN 0.798 nan 8.270 nan 0.000 0.453 389 C N 4.526 123.717 119.300 -0.181 0.000 2.896 389 C HA 0.132 4.609 4.460 0.027 0.000 0.499 389 C C 0.462 175.177 174.990 -0.458 0.000 1.022 389 C CA -0.457 58.404 59.018 -0.260 0.000 1.127 389 C CB -1.957 25.742 27.740 -0.069 0.000 1.452 389 C HN 0.737 nan 8.230 nan 0.000 0.580 390 S N 1.683 116.986 115.700 -0.663 0.000 2.465 390 S HA 0.193 4.679 4.470 0.027 0.000 0.280 390 S C -0.164 173.521 174.600 -1.526 0.000 1.232 390 S CA 0.115 57.648 58.200 -1.111 0.000 1.066 390 S CB 0.143 62.654 63.200 -1.148 0.000 0.929 390 S HN 0.729 nan 8.310 nan 0.000 0.494 391 H N 3.764 122.229 119.070 -1.009 0.000 2.439 391 H HA 0.330 4.903 4.556 0.027 0.000 0.228 391 H C -1.157 174.059 175.328 -0.188 0.000 1.423 391 H CA -0.347 55.497 56.048 -0.341 0.000 1.386 391 H CB -0.113 29.651 29.762 0.003 0.000 1.641 391 H HN 0.889 nan 8.280 nan 0.000 0.508 392 Y N -2.563 117.840 120.300 0.172 0.000 2.774 392 Y HA 0.416 4.983 4.550 0.028 0.000 0.346 392 Y C -3.344 172.666 175.900 0.183 0.000 1.222 392 Y CA -3.081 55.130 58.100 0.186 0.000 1.088 392 Y CB 0.038 38.614 38.460 0.193 0.000 1.354 392 Y HN -0.072 nan 8.280 nan 0.000 0.455 393 P HA 0.207 nan 4.420 nan 0.000 0.271 393 P C -0.652 176.943 177.300 0.492 0.000 1.216 393 P CA 0.029 63.383 63.100 0.425 0.000 0.776 393 P CB 0.636 32.519 31.700 0.305 0.000 0.881 394 N N 0.419 119.430 118.700 0.518 0.000 2.447 394 N HA 0.099 4.855 4.740 0.027 0.000 0.271 394 N C 0.072 175.848 175.510 0.442 0.000 1.226 394 N CA -0.579 52.698 53.050 0.379 0.000 0.980 394 N CB 0.363 38.878 38.487 0.047 0.000 1.206 394 N HN 0.597 nan 8.380 nan 0.000 0.558 395 H N 2.130 121.325 119.070 0.209 0.000 2.972 395 H HA 0.002 4.575 4.556 0.027 0.000 0.343 395 H C -1.619 173.890 175.328 0.302 0.000 1.054 395 H CA -0.720 55.434 56.048 0.177 0.000 1.412 395 H CB 1.015 30.845 29.762 0.113 0.000 1.385 395 H HN 0.422 nan 8.280 nan 0.000 0.600 396 P HA -0.198 nan 4.420 nan 0.000 0.218 396 P C 1.783 179.408 177.300 0.542 0.000 1.148 396 P CA 0.706 64.056 63.100 0.417 0.000 0.822 396 P CB 0.237 32.030 31.700 0.155 0.000 0.784 397 L N -1.069 120.554 121.223 0.666 0.000 2.275 397 L HA -0.029 4.327 4.340 0.027 0.000 0.215 397 L C 2.372 179.425 176.870 0.305 0.000 1.119 397 L CA 1.314 56.402 54.840 0.413 0.000 0.790 397 L CB -1.356 40.897 42.059 0.323 0.000 0.919 397 L HN 0.005 nan 8.230 nan 0.000 0.443 398 W N -0.501 120.850 121.300 0.086 0.000 2.338 398 W HA -0.320 4.356 4.660 0.026 0.000 0.304 398 W C 1.986 178.369 176.519 -0.226 0.000 1.212 398 W CA 1.838 59.092 57.345 -0.152 0.000 1.264 398 W CB -0.321 28.944 29.460 -0.325 0.000 1.142 398 W HN 0.270 nan 8.180 nan 0.000 0.512 399 Y N 0.616 120.849 120.300 -0.112 0.000 2.242 399 Y HA -0.191 4.375 4.550 0.027 0.000 0.291 399 Y C 2.857 178.544 175.900 -0.355 0.000 1.137 399 Y CA 2.080 59.903 58.100 -0.463 0.000 1.181 399 Y CB -1.231 36.605 38.460 -1.039 0.000 0.989 399 Y HN -0.235 nan 8.280 nan 0.000 0.527 400 T N 0.665 115.249 114.554 0.050 0.000 2.746 400 T HA -0.152 4.215 4.350 0.027 0.000 0.267 400 T C 1.977 176.718 174.700 0.068 0.000 1.039 400 T CA 1.344 63.542 62.100 0.163 0.000 1.142 400 T CB -0.492 68.515 68.868 0.231 0.000 0.866 400 T HN 0.235 nan 8.240 nan 0.000 0.444 401 L N 0.210 121.426 121.223 -0.010 0.000 2.056 401 L HA -0.080 4.276 4.340 0.027 0.000 0.207 401 L C 2.850 179.690 176.870 -0.050 0.000 1.078 401 L CA 0.897 55.749 54.840 0.020 0.000 0.749 401 L CB -0.686 41.339 42.059 -0.056 0.000 0.901 401 L HN 0.365 nan 8.230 nan 0.000 0.433 402 C N -0.213 118.889 119.300 -0.331 0.000 2.435 402 C HA -0.128 4.349 4.460 0.027 0.000 0.279 402 C C 2.409 177.446 174.990 0.077 0.000 1.321 402 C CA 0.329 59.201 59.018 -0.244 0.000 1.752 402 C CB -0.766 26.720 27.740 -0.424 0.000 1.959 402 C HN 0.534 nan 8.230 nan 0.000 0.500 403 D N 0.584 121.040 120.400 0.093 0.000 2.104 403 D HA -0.106 4.550 4.640 0.027 0.000 0.194 403 D C 2.394 178.910 176.300 0.360 0.000 0.994 403 D CA 1.256 55.389 54.000 0.221 0.000 0.830 403 D CB -0.337 40.550 40.800 0.145 0.000 0.959 403 D HN 0.530 nan 8.370 nan 0.000 0.452 404 R N -1.031 119.567 120.500 0.164 0.000 2.127 404 R HA 0.012 4.368 4.340 0.027 0.000 0.217 404 R C 2.115 178.388 176.300 -0.045 0.000 1.074 404 R CA 0.460 56.592 56.100 0.052 0.000 0.991 404 R CB -0.119 30.132 30.300 -0.083 0.000 0.895 404 R HN 0.271 nan 8.270 nan 0.000 0.450 405 Y N 0.121 120.438 120.300 0.029 0.000 2.365 405 Y HA 0.159 4.725 4.550 0.027 0.000 0.293 405 Y C 1.112 176.945 175.900 -0.111 0.000 1.119 405 Y CA 0.956 59.041 58.100 -0.024 0.000 1.203 405 Y CB 0.424 38.842 38.460 -0.069 0.000 1.026 405 Y HN 0.224 nan 8.280 nan 0.000 0.549 406 G N 0.985 109.816 108.800 0.053 0.000 2.830 406 G HA2 -0.128 3.848 3.960 0.027 0.000 0.298 406 G HA3 -0.128 3.848 3.960 0.027 0.000 0.298 406 G C -1.167 173.576 174.900 -0.261 0.000 1.031 406 G CA -0.536 44.456 45.100 -0.181 0.000 1.179 406 G HN 0.167 nan 8.290 nan 0.000 0.527 407 L N 1.262 122.411 121.223 -0.124 0.000 2.445 407 L HA 0.523 4.880 4.340 0.027 0.000 0.262 407 L C -0.342 176.531 176.870 0.006 0.000 0.974 407 L CA -1.435 53.291 54.840 -0.191 0.000 0.822 407 L CB 1.833 43.808 42.059 -0.140 0.000 1.339 407 L HN 0.351 nan 8.230 nan 0.000 0.409 408 Y N 1.753 122.193 120.300 0.233 0.000 2.359 408 Y HA 0.382 4.951 4.550 0.031 0.000 0.330 408 Y C 0.266 176.300 175.900 0.223 0.000 1.143 408 Y CA -0.526 57.743 58.100 0.282 0.000 1.318 408 Y CB 0.978 39.582 38.460 0.239 0.000 1.234 408 Y HN 0.103 nan 8.280 nan 0.000 0.522 409 V N 3.955 124.058 119.914 0.316 0.000 2.604 409 V HA 0.388 4.524 4.120 0.027 0.000 0.305 409 V C -0.604 175.572 176.094 0.137 0.000 1.043 409 V CA -1.121 61.303 62.300 0.208 0.000 0.888 409 V CB 2.063 33.968 31.823 0.136 0.000 0.995 409 V HN 0.450 nan 8.190 nan 0.000 0.429 410 V N 3.248 123.207 119.914 0.076 0.000 2.348 410 V HA 0.308 4.444 4.120 0.027 0.000 0.270 410 V C -0.271 175.859 176.094 0.061 0.000 1.037 410 V CA -0.258 62.039 62.300 -0.005 0.000 0.872 410 V CB 1.365 33.066 31.823 -0.203 0.000 1.002 410 V HN 0.898 nan 8.190 nan 0.000 0.464 411 D N 4.235 124.719 120.400 0.140 0.000 2.249 411 D HA 0.352 5.009 4.640 0.027 0.000 0.246 411 D C -0.285 176.219 176.300 0.341 0.000 1.114 411 D CA -0.157 54.025 54.000 0.303 0.000 0.854 411 D CB 1.362 42.394 40.800 0.386 0.000 1.132 411 D HN 0.687 nan 8.370 nan 0.000 0.461 412 E N 2.028 122.389 120.200 0.269 0.000 2.224 412 E HA 0.623 4.989 4.350 0.027 0.000 0.265 412 E C -1.088 175.651 176.600 0.232 0.000 0.878 412 E CA -1.054 55.484 56.400 0.230 0.000 0.759 412 E CB 1.353 31.140 29.700 0.145 0.000 1.164 412 E HN 0.462 nan 8.360 nan 0.000 0.414 413 A N 3.860 126.807 122.820 0.212 0.000 2.483 413 A HA 0.071 4.408 4.320 0.027 0.000 0.238 413 A C 0.323 178.032 177.584 0.209 0.000 1.070 413 A CA -0.228 51.913 52.037 0.174 0.000 0.770 413 A CB 0.153 19.218 19.000 0.108 0.000 1.008 413 A HN 0.704 nan 8.150 nan 0.000 0.497 414 N N 1.220 120.053 118.700 0.220 0.000 3.050 414 N HA 0.256 5.013 4.740 0.027 0.000 0.289 414 N C -1.048 174.592 175.510 0.217 0.000 1.209 414 N CA 0.237 53.451 53.050 0.275 0.000 1.154 414 N CB -0.830 37.817 38.487 0.266 0.000 1.444 414 N HN 0.475 nan 8.380 nan 0.000 0.529 415 I N 1.038 121.731 120.570 0.205 0.000 2.497 415 I HA 0.260 4.447 4.170 0.027 0.000 0.284 415 I C -0.611 175.610 176.117 0.173 0.000 1.060 415 I CA -0.598 60.806 61.300 0.172 0.000 1.071 415 I CB 1.731 39.806 38.000 0.125 0.000 1.216 415 I HN 0.247 nan 8.210 nan 0.000 0.442 416 E N 4.382 124.680 120.200 0.163 0.000 2.287 416 E HA 0.365 4.732 4.350 0.027 0.000 0.274 416 E C -0.621 176.045 176.600 0.109 0.000 0.896 416 E CA -0.478 55.989 56.400 0.112 0.000 0.788 416 E CB 1.583 31.333 29.700 0.084 0.000 1.244 416 E HN 0.583 nan 8.360 nan 0.000 0.408 417 T N 0.688 115.297 114.554 0.093 0.000 3.374 417 T HA 0.165 4.531 4.350 0.027 0.000 0.267 417 T C 0.844 175.590 174.700 0.077 0.000 0.996 417 T CA -0.364 61.818 62.100 0.135 0.000 0.977 417 T CB -0.254 68.679 68.868 0.109 0.000 1.149 417 T HN 0.661 nan 8.240 nan 0.000 0.517 418 H N 1.171 120.148 119.070 -0.154 0.000 2.390 418 H HA -0.040 4.533 4.556 0.029 0.000 0.298 418 H C 2.316 177.517 175.328 -0.213 0.000 1.106 418 H CA 1.307 57.240 56.048 -0.192 0.000 1.297 418 H CB -0.176 29.437 29.762 -0.248 0.000 1.375 418 H HN 0.588 nan 8.280 nan 0.000 0.509 419 G N 0.248 108.897 108.800 -0.250 0.000 2.679 419 G HA2 -0.060 3.917 3.960 0.027 0.000 0.212 419 G HA3 -0.060 3.917 3.960 0.027 0.000 0.212 419 G C 0.522 175.533 174.900 0.185 0.000 1.137 419 G CA -0.119 44.868 45.100 -0.189 0.000 0.787 419 G HN 0.153 nan 8.290 nan 0.000 0.534 420 M N 0.338 120.092 119.600 0.257 0.000 2.207 420 M HA 0.303 4.799 4.480 0.027 0.000 0.311 420 M C -0.302 176.034 176.300 0.061 0.000 1.127 420 M CA -0.234 55.167 55.300 0.168 0.000 1.181 420 M CB 1.331 33.982 32.600 0.086 0.000 1.409 420 M HN -0.206 nan 8.290 nan 0.000 0.461 421 V N 3.672 123.599 119.914 0.022 0.000 2.443 421 V HA 0.376 4.513 4.120 0.027 0.000 0.293 421 V C -1.926 174.158 176.094 -0.015 0.000 1.021 421 V CA -1.343 60.955 62.300 -0.003 0.000 0.848 421 V CB 1.769 33.585 31.823 -0.012 0.000 0.998 421 V HN 0.739 nan 8.190 nan 0.000 0.424 422 P HA 0.209 nan 4.420 nan 0.000 0.274 422 P C 0.956 178.256 177.300 0.000 0.000 1.260 422 P CA -0.451 62.643 63.100 -0.010 0.000 0.793 422 P CB 1.003 32.698 31.700 -0.009 0.000 1.048 423 M N 0.589 120.194 119.600 0.008 0.000 2.279 423 M HA -0.161 4.335 4.480 0.027 0.000 0.264 423 M C 1.171 177.490 176.300 0.032 0.000 1.062 423 M CA 1.711 57.026 55.300 0.024 0.000 1.099 423 M CB -0.466 32.138 32.600 0.006 0.000 1.394 423 M HN 0.364 nan 8.290 nan 0.000 0.426 424 N N -0.043 118.676 118.700 0.033 0.000 2.322 424 N HA -0.072 4.685 4.740 0.027 0.000 0.216 424 N C 1.088 176.580 175.510 -0.029 0.000 1.144 424 N CA 0.140 53.213 53.050 0.037 0.000 0.830 424 N CB -0.717 37.809 38.487 0.066 0.000 1.034 424 N HN 0.371 nan 8.380 nan 0.000 0.484 425 R N 0.307 120.774 120.500 -0.054 0.000 2.105 425 R HA 0.025 4.382 4.340 0.027 0.000 0.239 425 R C 1.400 177.601 176.300 -0.164 0.000 1.135 425 R CA 1.211 57.255 56.100 -0.093 0.000 0.967 425 R CB -0.015 30.227 30.300 -0.097 0.000 0.861 425 R HN 0.289 nan 8.270 nan 0.000 0.442 426 L N -0.592 120.474 121.223 -0.262 0.000 2.168 426 L HA -0.002 4.354 4.340 0.027 0.000 0.203 426 L C 2.402 179.137 176.870 -0.226 0.000 1.078 426 L CA 1.306 55.871 54.840 -0.459 0.000 0.780 426 L CB -0.400 41.154 42.059 -0.841 0.000 0.939 426 L HN 0.344 nan 8.230 nan 0.000 0.451 427 T N -4.554 109.902 114.554 -0.164 0.000 3.072 427 T HA -0.134 4.233 4.350 0.027 0.000 0.266 427 T C 1.216 175.826 174.700 -0.150 0.000 1.127 427 T CA 0.951 62.934 62.100 -0.196 0.000 1.107 427 T CB -0.181 68.519 68.868 -0.280 0.000 0.910 427 T HN 0.081 nan 8.240 nan 0.000 0.513 428 D N 1.168 121.517 120.400 -0.086 0.000 2.349 428 D HA 0.109 4.765 4.640 0.027 0.000 0.214 428 D C -0.296 175.984 176.300 -0.034 0.000 1.063 428 D CA -0.219 53.740 54.000 -0.067 0.000 0.847 428 D CB -0.068 40.700 40.800 -0.055 0.000 0.933 428 D HN 0.310 nan 8.370 nan 0.000 0.513 429 D N -0.125 120.271 120.400 -0.006 0.000 2.280 429 D HA 0.131 4.787 4.640 0.027 0.000 0.236 429 D C -1.710 174.640 176.300 0.084 0.000 1.082 429 D CA -2.187 51.847 54.000 0.057 0.000 0.834 429 D CB 2.067 42.942 40.800 0.126 0.000 1.100 429 D HN -0.030 nan 8.370 nan 0.000 0.486 430 P HA -0.054 nan 4.420 nan 0.000 0.226 430 P C 0.939 178.242 177.300 0.005 0.000 1.153 430 P CA 0.556 63.664 63.100 0.014 0.000 0.777 430 P CB 0.357 32.053 31.700 -0.006 0.000 0.794 431 R N -1.654 118.855 120.500 0.015 0.000 2.235 431 R HA -0.055 4.301 4.340 0.027 0.000 0.213 431 R C 1.377 177.547 176.300 -0.218 0.000 1.059 431 R CA 0.984 57.023 56.100 -0.101 0.000 0.997 431 R CB -0.487 29.738 30.300 -0.125 0.000 0.884 431 R HN 0.320 nan 8.270 nan 0.000 0.462 432 W N -0.083 121.162 121.300 -0.092 0.000 3.278 432 W HA 0.124 4.800 4.660 0.027 0.000 0.308 432 W C 1.501 177.962 176.519 -0.097 0.000 1.253 432 W CA -0.495 56.796 57.345 -0.091 0.000 1.759 432 W CB 0.038 29.443 29.460 -0.092 0.000 1.093 432 W HN 0.006 nan 8.180 nan 0.000 0.648 433 L N 2.182 123.428 121.223 0.040 0.000 2.046 433 L HA -0.041 4.316 4.340 0.027 0.000 0.208 433 L C -0.681 176.152 176.870 -0.062 0.000 1.077 433 L CA 2.223 57.050 54.840 -0.022 0.000 0.747 433 L CB -1.683 40.352 42.059 -0.040 0.000 0.896 433 L HN -0.229 nan 8.230 nan 0.000 0.432 434 P HA -0.149 nan 4.420 nan 0.000 0.214 434 P C 1.629 178.873 177.300 -0.094 0.000 1.163 434 P CA 2.201 65.237 63.100 -0.107 0.000 0.883 434 P CB -0.239 31.389 31.700 -0.121 0.000 0.788 435 A N -1.087 121.689 122.820 -0.074 0.000 1.933 435 A HA -0.195 4.142 4.320 0.027 0.000 0.218 435 A C 2.240 179.835 177.584 0.019 0.000 1.175 435 A CA 1.955 53.982 52.037 -0.017 0.000 0.628 435 A CB -1.477 17.537 19.000 0.025 0.000 0.814 435 A HN 0.110 nan 8.150 nan 0.000 0.444 436 M N 0.173 119.793 119.600 0.034 0.000 2.132 436 M HA -0.145 4.351 4.480 0.027 0.000 0.263 436 M C 2.559 178.804 176.300 -0.090 0.000 1.065 436 M CA 1.689 56.986 55.300 -0.005 0.000 1.122 436 M CB -0.380 32.197 32.600 -0.037 0.000 1.365 436 M HN 0.666 nan 8.290 nan 0.000 0.411 437 S N 0.479 116.097 115.700 -0.138 0.000 2.374 437 S HA -0.220 4.266 4.470 0.027 0.000 0.227 437 S C 1.622 176.050 174.600 -0.286 0.000 1.037 437 S CA 1.725 59.775 58.200 -0.251 0.000 1.024 437 S CB -0.631 62.395 63.200 -0.291 0.000 0.861 437 S HN 0.542 nan 8.310 nan 0.000 0.456 438 E N 0.866 120.950 120.200 -0.193 0.000 2.150 438 E HA -0.044 4.323 4.350 0.027 0.000 0.193 438 E C 2.457 178.968 176.600 -0.147 0.000 0.985 438 E CA 0.762 57.053 56.400 -0.180 0.000 0.814 438 E CB -0.105 29.527 29.700 -0.115 0.000 0.752 438 E HN 0.575 nan 8.360 nan 0.000 0.466 439 R N 0.069 120.515 120.500 -0.091 0.000 2.115 439 R HA -0.089 4.267 4.340 0.027 0.000 0.230 439 R C 2.248 178.505 176.300 -0.072 0.000 1.111 439 R CA 0.869 56.947 56.100 -0.037 0.000 0.976 439 R CB -0.023 30.293 30.300 0.028 0.000 0.870 439 R HN 0.036 nan 8.270 nan 0.000 0.445 440 V N 0.178 120.004 119.914 -0.147 0.000 2.426 440 V HA -0.174 3.963 4.120 0.027 0.000 0.242 440 V C 2.501 178.411 176.094 -0.307 0.000 1.036 440 V CA 2.101 64.290 62.300 -0.185 0.000 1.044 440 V CB -0.302 31.402 31.823 -0.198 0.000 0.688 440 V HN 0.522 nan 8.190 nan 0.000 0.462 441 T N -0.694 113.552 114.554 -0.513 0.000 2.788 441 T HA -0.227 4.140 4.350 0.027 0.000 0.268 441 T C 1.918 176.456 174.700 -0.270 0.000 1.044 441 T CA 1.338 63.048 62.100 -0.651 0.000 1.139 441 T CB -0.399 67.880 68.868 -0.982 0.000 0.867 441 T HN 0.412 nan 8.240 nan 0.000 0.454 442 R N 0.249 120.617 120.500 -0.219 0.000 2.189 442 R HA 0.231 4.588 4.340 0.027 0.000 0.218 442 R C 2.604 178.826 176.300 -0.129 0.000 1.074 442 R CA 1.229 57.238 56.100 -0.152 0.000 0.991 442 R CB -0.439 29.780 30.300 -0.134 0.000 0.883 442 R HN 0.500 nan 8.270 nan 0.000 0.457 443 M N 0.515 120.045 119.600 -0.118 0.000 2.123 443 M HA -0.113 4.383 4.480 0.027 0.000 0.263 443 M C 1.810 178.037 176.300 -0.123 0.000 1.069 443 M CA 1.596 56.855 55.300 -0.069 0.000 1.133 443 M CB 0.128 32.727 32.600 -0.002 0.000 1.356 443 M HN -0.037 nan 8.290 nan 0.000 0.415 444 V N 1.197 120.930 119.914 -0.302 0.000 2.343 444 V HA -0.280 3.857 4.120 0.027 0.000 0.247 444 V C 2.276 178.275 176.094 -0.158 0.000 1.051 444 V CA 1.981 63.985 62.300 -0.493 0.000 1.036 444 V CB -0.930 30.584 31.823 -0.514 0.000 0.654 444 V HN 0.597 nan 8.190 nan 0.000 0.451 445 Q N -0.598 119.137 119.800 -0.107 0.000 2.170 445 Q HA -0.221 4.135 4.340 0.027 0.000 0.203 445 Q C 2.452 178.369 176.000 -0.139 0.000 0.976 445 Q CA 1.536 57.279 55.803 -0.099 0.000 0.858 445 Q CB -0.186 28.511 28.738 -0.069 0.000 0.907 445 Q HN 0.538 nan 8.270 nan 0.000 0.433 446 R N 0.282 120.694 120.500 -0.146 0.000 2.100 446 R HA -0.085 4.271 4.340 0.027 0.000 0.220 446 R C 0.501 176.730 176.300 -0.118 0.000 1.091 446 R CA 1.247 57.236 56.100 -0.184 0.000 0.986 446 R CB 0.444 30.637 30.300 -0.179 0.000 0.888 446 R HN 0.142 nan 8.270 nan 0.000 0.444 447 D N -0.375 120.025 120.400 -0.001 0.000 2.398 447 D HA 0.002 4.659 4.640 0.027 0.000 0.210 447 D C 1.192 177.611 176.300 0.198 0.000 1.094 447 D CA 0.101 54.155 54.000 0.091 0.000 0.839 447 D CB 0.312 41.124 40.800 0.020 0.000 0.963 447 D HN 0.351 nan 8.370 nan 0.000 0.506 448 R N 0.526 121.149 120.500 0.205 0.000 2.285 448 R HA 0.041 4.398 4.340 0.027 0.000 0.213 448 R C 0.683 176.987 176.300 0.007 0.000 1.068 448 R CA 0.778 57.014 56.100 0.227 0.000 1.004 448 R CB -0.246 30.129 30.300 0.124 0.000 0.873 448 R HN -0.097 nan 8.270 nan 0.000 0.467 449 N N 0.346 118.976 118.700 -0.117 0.000 2.336 449 N HA 0.005 4.761 4.740 0.027 0.000 0.189 449 N C -0.536 174.846 175.510 -0.214 0.000 1.113 449 N CA 0.218 53.166 53.050 -0.170 0.000 0.858 449 N CB 0.124 38.478 38.487 -0.223 0.000 0.970 449 N HN 0.291 nan 8.380 nan 0.000 0.471 450 H N 1.294 120.301 119.070 -0.105 0.000 2.742 450 H HA 0.109 4.681 4.556 0.027 0.000 0.302 450 H C -1.208 173.968 175.328 -0.253 0.000 1.069 450 H CA -1.224 54.744 56.048 -0.133 0.000 1.446 450 H CB 1.579 31.302 29.762 -0.066 0.000 1.462 450 H HN 0.055 nan 8.280 nan 0.000 0.499 451 P HA -0.148 nan 4.420 nan 0.000 0.219 451 P C 1.449 178.286 177.300 -0.772 0.000 1.150 451 P CA 1.065 63.809 63.100 -0.594 0.000 0.814 451 P CB 0.300 31.405 31.700 -0.993 0.000 0.787 452 S N -0.581 114.765 115.700 -0.589 0.000 2.399 452 S HA -0.053 4.434 4.470 0.027 0.000 0.231 452 S C 1.138 175.702 174.600 -0.060 0.000 1.022 452 S CA 0.443 58.464 58.200 -0.297 0.000 0.983 452 S CB -1.583 61.612 63.200 -0.009 0.000 0.803 452 S HN -0.059 nan 8.310 nan 0.000 0.480 453 V N 3.681 123.537 119.914 -0.096 0.000 2.446 453 V HA 0.199 4.335 4.120 0.027 0.000 0.276 453 V C 1.163 177.120 176.094 -0.227 0.000 1.030 453 V CA 0.141 62.349 62.300 -0.153 0.000 1.033 453 V CB 0.355 31.993 31.823 -0.308 0.000 0.993 453 V HN 0.639 nan 8.190 nan 0.000 0.477 454 I N 2.626 123.122 120.570 -0.124 0.000 4.187 454 I HA 0.505 4.691 4.170 0.027 0.000 0.326 454 I C 0.393 176.397 176.117 -0.189 0.000 1.302 454 I CA 0.525 61.756 61.300 -0.115 0.000 1.196 454 I CB 0.473 38.490 38.000 0.029 0.000 1.095 454 I HN 0.325 nan 8.210 nan 0.000 0.411 455 I N 0.240 120.680 120.570 -0.218 0.000 2.656 455 I HA 0.352 4.539 4.170 0.027 0.000 0.292 455 I C -1.533 174.498 176.117 -0.143 0.000 1.144 455 I CA -0.414 60.803 61.300 -0.139 0.000 1.038 455 I CB 2.118 40.129 38.000 0.019 0.000 1.244 455 I HN 0.033 nan 8.210 nan 0.000 0.420 456 W N 4.009 125.360 121.300 0.086 0.000 2.438 456 W HA 0.614 5.288 4.660 0.023 0.000 0.324 456 W C 0.421 177.008 176.519 0.113 0.000 1.119 456 W CA -0.664 56.739 57.345 0.096 0.000 1.221 456 W CB 1.642 31.155 29.460 0.089 0.000 1.253 456 W HN 0.315 nan 8.180 nan 0.000 0.555 457 S N 2.616 118.552 115.700 0.393 0.000 2.513 457 S HA 0.407 4.893 4.470 0.027 0.000 0.299 457 S C 0.230 174.998 174.600 0.279 0.000 1.087 457 S CA -0.729 57.651 58.200 0.300 0.000 1.012 457 S CB 0.883 64.216 63.200 0.221 0.000 1.044 457 S HN 0.584 nan 8.310 nan 0.000 0.485 458 L N 3.965 125.344 121.223 0.261 0.000 2.610 458 L HA 0.333 4.689 4.340 0.027 0.000 0.232 458 L C 1.394 178.327 176.870 0.106 0.000 1.149 458 L CA 0.509 55.422 54.840 0.122 0.000 0.872 458 L CB -1.202 40.821 42.059 -0.061 0.000 0.992 458 L HN 1.014 nan 8.230 nan 0.000 0.447 459 G N 0.101 109.050 108.800 0.248 0.000 2.297 459 G HA2 -0.144 3.832 3.960 0.027 0.000 0.209 459 G HA3 -0.144 3.832 3.960 0.027 0.000 0.209 459 G C -1.538 173.564 174.900 0.337 0.000 1.267 459 G CA -0.528 44.724 45.100 0.254 0.000 1.127 459 G HN 0.193 nan 8.290 nan 0.000 0.498 460 N N 0.193 119.035 118.700 0.236 0.000 2.367 460 N HA 0.470 5.226 4.740 0.027 0.000 0.278 460 N C -0.497 174.971 175.510 -0.070 0.000 1.117 460 N CA 0.198 53.238 53.050 -0.017 0.000 0.867 460 N CB 1.543 39.750 38.487 -0.467 0.000 1.649 460 N HN 0.925 nan 8.380 nan 0.000 0.479 461 E N 0.779 120.846 120.200 -0.220 0.000 2.197 461 E HA -0.171 4.196 4.350 0.027 0.000 0.184 461 E C -0.893 175.616 176.600 -0.151 0.000 1.439 461 E CA 0.801 56.978 56.400 -0.371 0.000 0.688 461 E CB -1.362 27.863 29.700 -0.793 0.000 1.090 461 E HN 0.439 nan 8.360 nan 0.000 0.341 462 S N 0.048 115.805 115.700 0.095 0.000 2.902 462 S HA 0.422 4.908 4.470 0.027 0.000 0.250 462 S C 0.601 175.363 174.600 0.270 0.000 1.046 462 S CA -0.156 58.155 58.200 0.186 0.000 1.069 462 S CB 1.384 64.759 63.200 0.292 0.000 0.967 462 S HN 0.853 nan 8.310 nan 0.000 0.530 463 G N 1.977 110.866 108.800 0.149 0.000 2.601 463 G HA2 -0.264 3.713 3.960 0.027 0.000 0.261 463 G HA3 -0.264 3.713 3.960 0.027 0.000 0.261 463 G C -0.512 174.582 174.900 0.323 0.000 1.289 463 G CA -0.107 45.087 45.100 0.158 0.000 0.920 463 G HN 0.666 nan 8.290 nan 0.000 0.571 464 H N 0.374 119.559 119.070 0.191 0.000 2.727 464 H HA 0.576 5.149 4.556 0.028 0.000 0.330 464 H C 0.335 175.830 175.328 0.279 0.000 0.986 464 H CA -0.141 56.065 56.048 0.263 0.000 1.251 464 H CB 0.732 30.581 29.762 0.145 0.000 1.493 464 H HN 1.045 nan 8.280 nan 0.000 0.515 465 G N 1.494 110.439 108.800 0.241 0.000 2.600 465 G HA2 0.451 4.427 3.960 0.027 0.000 0.303 465 G HA3 0.451 4.427 3.960 0.027 0.000 0.303 465 G C 0.540 175.332 174.900 -0.179 0.000 1.253 465 G CA -0.166 44.877 45.100 -0.094 0.000 0.974 465 G HN 0.678 nan 8.290 nan 0.000 0.483 466 A N 0.227 122.956 122.820 -0.151 0.000 2.019 466 A HA -0.074 4.263 4.320 0.027 0.000 0.219 466 A C 2.114 179.672 177.584 -0.043 0.000 1.164 466 A CA 1.763 53.751 52.037 -0.082 0.000 0.644 466 A CB -0.413 18.558 19.000 -0.050 0.000 0.805 466 A HN 0.530 nan 8.150 nan 0.000 0.449 467 N N -0.099 118.538 118.700 -0.106 0.000 2.166 467 N HA -0.154 4.603 4.740 0.027 0.000 0.186 467 N C 1.377 176.823 175.510 -0.105 0.000 1.019 467 N CA 1.749 54.724 53.050 -0.126 0.000 0.856 467 N CB -0.687 37.681 38.487 -0.199 0.000 0.993 467 N HN 0.789 nan 8.380 nan 0.000 0.426 468 H N 0.367 119.423 119.070 -0.023 0.000 2.353 468 H HA -0.030 4.542 4.556 0.027 0.000 0.300 468 H C 1.240 176.637 175.328 0.114 0.000 1.090 468 H CA 1.268 57.310 56.048 -0.009 0.000 1.327 468 H CB 0.140 29.902 29.762 0.000 0.000 1.383 468 H HN 0.194 nan 8.280 nan 0.000 0.508 469 D N 0.409 120.975 120.400 0.277 0.000 2.144 469 D HA -0.119 4.537 4.640 0.027 0.000 0.199 469 D C 2.298 178.747 176.300 0.250 0.000 0.984 469 D CA 1.117 55.273 54.000 0.261 0.000 0.834 469 D CB -0.373 40.547 40.800 0.200 0.000 0.955 469 D HN 0.431 nan 8.370 nan 0.000 0.465 470 A N 0.803 123.718 122.820 0.159 0.000 1.902 470 A HA -0.120 4.217 4.320 0.027 0.000 0.217 470 A C 2.392 180.083 177.584 0.178 0.000 1.181 470 A CA 0.957 53.078 52.037 0.139 0.000 0.623 470 A CB -0.720 18.320 19.000 0.068 0.000 0.818 470 A HN 0.201 nan 8.150 nan 0.000 0.443 471 L N -2.223 119.090 121.223 0.151 0.000 2.179 471 L HA -0.108 4.249 4.340 0.027 0.000 0.208 471 L C 2.541 179.555 176.870 0.240 0.000 1.096 471 L CA 1.315 56.245 54.840 0.149 0.000 0.779 471 L CB -0.648 41.427 42.059 0.026 0.000 0.922 471 L HN 0.596 nan 8.230 nan 0.000 0.443 472 Y N 1.408 121.790 120.300 0.137 0.000 2.128 472 Y HA -0.334 4.229 4.550 0.021 0.000 0.284 472 Y C 2.818 178.802 175.900 0.140 0.000 1.154 472 Y CA 1.853 60.037 58.100 0.140 0.000 1.149 472 Y CB -0.154 38.389 38.460 0.138 0.000 0.976 472 Y HN -0.023 nan 8.280 nan 0.000 0.505 473 R N -0.179 120.436 120.500 0.193 0.000 2.092 473 R HA -0.196 4.160 4.340 0.027 0.000 0.231 473 R C 2.033 178.343 176.300 0.017 0.000 1.119 473 R CA 1.880 58.009 56.100 0.049 0.000 0.970 473 R CB -1.470 28.936 30.300 0.177 0.000 0.864 473 R HN 0.640 nan 8.270 nan 0.000 0.440 474 W N 0.557 121.816 121.300 -0.069 0.000 2.335 474 W HA -0.150 4.526 4.660 0.027 0.000 0.311 474 W C 1.635 178.063 176.519 -0.151 0.000 1.213 474 W CA 2.098 59.387 57.345 -0.092 0.000 1.274 474 W CB -0.263 29.146 29.460 -0.085 0.000 1.148 474 W HN 0.089 nan 8.180 nan 0.000 0.498 475 I N 0.753 121.358 120.570 0.060 0.000 2.179 475 I HA -0.348 3.839 4.170 0.027 0.000 0.242 475 I C 2.467 178.393 176.117 -0.318 0.000 1.088 475 I CA 1.351 62.516 61.300 -0.225 0.000 1.357 475 I CB -0.755 37.168 38.000 -0.129 0.000 1.051 475 I HN -0.122 nan 8.210 nan 0.000 0.409 476 K N 0.549 120.766 120.400 -0.304 0.000 2.113 476 K HA -0.140 4.197 4.320 0.027 0.000 0.208 476 K C 2.288 178.748 176.600 -0.233 0.000 1.047 476 K CA 1.345 57.468 56.287 -0.274 0.000 0.928 476 K CB -0.480 31.807 32.500 -0.355 0.000 0.716 476 K HN 0.232 nan 8.250 nan 0.000 0.446 477 S N 0.746 116.274 115.700 -0.287 0.000 2.357 477 S HA -0.093 4.393 4.470 0.027 0.000 0.221 477 S C 2.144 176.527 174.600 -0.362 0.000 1.031 477 S CA 1.315 59.346 58.200 -0.282 0.000 0.982 477 S CB -0.168 62.845 63.200 -0.313 0.000 0.853 477 S HN 0.290 nan 8.310 nan 0.000 0.458 478 V N -0.148 119.405 119.914 -0.602 0.000 2.548 478 V HA 0.099 4.235 4.120 0.027 0.000 0.249 478 V C 0.401 176.265 176.094 -0.384 0.000 1.055 478 V CA 1.530 63.462 62.300 -0.613 0.000 1.065 478 V CB -0.350 30.849 31.823 -1.041 0.000 0.681 478 V HN 0.333 nan 8.190 nan 0.000 0.462 479 D N 0.327 120.551 120.400 -0.294 0.000 2.330 479 D HA 0.400 5.057 4.640 0.027 0.000 0.249 479 D C -2.433 173.857 176.300 -0.018 0.000 1.306 479 D CA -1.922 52.020 54.000 -0.098 0.000 0.956 479 D CB 1.753 42.583 40.800 0.049 0.000 1.261 479 D HN 0.165 nan 8.370 nan 0.000 0.544 480 P HA 0.011 nan 4.420 nan 0.000 0.245 480 P C 1.092 178.410 177.300 0.031 0.000 1.212 480 P CA 0.363 63.456 63.100 -0.011 0.000 0.774 480 P CB 0.186 31.873 31.700 -0.022 0.000 0.999 481 S N -1.377 114.350 115.700 0.046 0.000 2.522 481 S HA 0.070 4.556 4.470 0.027 0.000 0.227 481 S C 0.861 175.485 174.600 0.041 0.000 0.986 481 S CA 0.018 58.248 58.200 0.049 0.000 0.929 481 S CB -0.362 62.861 63.200 0.039 0.000 0.769 481 S HN 0.048 nan 8.310 nan 0.000 0.529 482 R N 1.057 121.594 120.500 0.061 0.000 2.621 482 R HA 0.530 4.887 4.340 0.027 0.000 0.284 482 R C -3.217 173.131 176.300 0.079 0.000 0.998 482 R CA -2.265 53.833 56.100 -0.004 0.000 0.895 482 R CB 1.554 31.724 30.300 -0.217 0.000 1.195 482 R HN 0.132 nan 8.270 nan 0.000 0.450 483 P HA 0.055 nan 4.420 nan 0.000 0.270 483 P C -0.837 176.572 177.300 0.181 0.000 1.223 483 P CA -0.320 62.844 63.100 0.107 0.000 0.785 483 P CB 0.640 32.389 31.700 0.081 0.000 0.923 484 V N 2.552 122.602 119.914 0.226 0.000 2.495 484 V HA 0.416 4.552 4.120 0.027 0.000 0.298 484 V C 0.200 176.479 176.094 0.310 0.000 1.031 484 V CA -0.306 62.178 62.300 0.306 0.000 0.871 484 V CB 1.211 33.198 31.823 0.272 0.000 0.988 484 V HN 0.616 nan 8.190 nan 0.000 0.432 485 Q N 3.763 123.726 119.800 0.272 0.000 2.458 485 Q HA 0.814 5.170 4.340 0.027 0.000 0.282 485 Q C -1.847 174.311 176.000 0.263 0.000 1.106 485 Q CA -0.938 54.988 55.803 0.204 0.000 0.814 485 Q CB 3.007 31.814 28.738 0.115 0.000 1.425 485 Q HN 0.633 nan 8.270 nan 0.000 0.437 486 Y N 0.113 120.419 120.300 0.010 0.000 2.409 486 Y HA 0.155 4.719 4.550 0.024 0.000 0.321 486 Y C -0.662 175.173 175.900 -0.108 0.000 1.209 486 Y CA -0.800 57.273 58.100 -0.045 0.000 1.086 486 Y CB 2.066 40.487 38.460 -0.066 0.000 1.320 486 Y HN 0.948 nan 8.280 nan 0.000 0.440 487 E N 3.304 122.975 120.200 -0.882 0.000 2.400 487 E HA 0.157 4.524 4.350 0.027 0.000 0.195 487 E C 0.605 176.760 176.600 -0.741 0.000 1.012 487 E CA 0.678 56.696 56.400 -0.637 0.000 0.875 487 E CB 0.287 29.749 29.700 -0.396 0.000 0.859 487 E HN 0.886 nan 8.360 nan 0.000 0.498 488 G N -0.096 107.844 108.800 -1.433 0.000 2.559 488 G HA2 0.246 4.223 3.960 0.027 0.000 0.235 488 G HA3 0.246 4.223 3.960 0.027 0.000 0.235 488 G C 0.806 175.551 174.900 -0.257 0.000 1.266 488 G CA 0.282 44.977 45.100 -0.675 0.000 0.847 488 G HN 0.344 nan 8.290 nan 0.000 0.583 489 G N -0.758 108.002 108.800 -0.068 0.000 2.160 489 G HA2 0.230 4.207 3.960 0.027 0.000 0.251 489 G HA3 0.230 4.207 3.960 0.027 0.000 0.251 489 G C 1.256 176.169 174.900 0.022 0.000 1.008 489 G CA 1.015 46.140 45.100 0.042 0.000 0.724 489 G HN 2.607 nan 8.290 nan 0.000 0.514 490 G N -1.637 107.165 108.800 0.005 0.000 2.205 490 G HA2 0.440 4.417 3.960 0.027 0.000 0.180 490 G HA3 0.440 4.417 3.960 0.027 0.000 0.180 490 G C 1.012 176.035 174.900 0.205 0.000 1.004 490 G CA 1.326 46.498 45.100 0.120 0.000 0.670 490 G HN 2.340 nan 8.290 nan 0.000 0.496 491 A N -0.206 122.609 122.820 -0.008 0.000 3.661 491 A HA -0.118 4.219 4.320 0.027 0.000 0.269 491 A C 1.065 178.573 177.584 -0.127 0.000 1.056 491 A CA 2.620 54.589 52.037 -0.113 0.000 1.159 491 A CB -1.778 17.128 19.000 -0.157 0.000 1.105 491 A HN 2.122 nan 8.150 nan 0.000 0.907 492 D N -0.828 119.585 120.400 0.020 0.000 2.785 492 D HA 0.326 4.982 4.640 0.027 0.000 0.324 492 D C 0.357 176.651 176.300 -0.009 0.000 1.523 492 D CA 0.848 54.865 54.000 0.028 0.000 0.789 492 D CB -1.106 39.849 40.800 0.259 0.000 1.171 492 D HN 0.826 nan 8.370 nan 0.000 0.447 493 T N -2.572 111.907 114.554 -0.126 0.000 2.729 493 T HA 0.245 4.612 4.350 0.027 0.000 0.298 493 T C 1.567 176.123 174.700 -0.240 0.000 1.013 493 T CA 0.363 62.324 62.100 -0.233 0.000 0.957 493 T CB 0.796 69.293 68.868 -0.619 0.000 1.130 493 T HN 0.066 nan 8.240 nan 0.000 0.526 494 T N -2.566 111.841 114.554 -0.246 0.000 3.163 494 T HA 0.239 4.606 4.350 0.027 0.000 0.260 494 T C 1.360 175.789 174.700 -0.452 0.000 1.156 494 T CA 0.209 62.173 62.100 -0.227 0.000 1.072 494 T CB -0.540 68.284 68.868 -0.072 0.000 0.937 494 T HN 0.834 nan 8.240 nan 0.000 0.528 495 A N 0.374 122.929 122.820 -0.440 0.000 2.545 495 A HA 0.544 4.880 4.320 0.027 0.000 0.277 495 A C 0.702 178.105 177.584 -0.302 0.000 1.301 495 A CA -0.407 51.346 52.037 -0.473 0.000 0.935 495 A CB 0.167 19.148 19.000 -0.031 0.000 1.093 495 A HN 0.414 nan 8.150 nan 0.000 0.519 496 T N -1.311 113.073 114.554 -0.284 0.000 2.952 496 T HA 0.356 4.722 4.350 0.027 0.000 0.305 496 T C -0.690 174.022 174.700 0.021 0.000 1.064 496 T CA -0.414 61.675 62.100 -0.018 0.000 1.008 496 T CB 1.230 70.081 68.868 -0.028 0.000 1.078 496 T HN 0.083 nan 8.240 nan 0.000 0.459 497 D N 2.896 123.393 120.400 0.161 0.000 2.348 497 D HA 0.272 4.929 4.640 0.027 0.000 0.211 497 D C 0.337 176.667 176.300 0.050 0.000 0.998 497 D CA 0.698 54.781 54.000 0.137 0.000 0.873 497 D CB 0.417 41.329 40.800 0.186 0.000 0.925 497 D HN 0.535 nan 8.370 nan 0.000 0.524 498 I N 0.958 121.539 120.570 0.018 0.000 2.533 498 I HA 0.246 4.433 4.170 0.027 0.000 0.290 498 I C -0.208 175.843 176.117 -0.110 0.000 1.056 498 I CA -0.880 60.398 61.300 -0.037 0.000 1.057 498 I CB 2.831 40.824 38.000 -0.013 0.000 1.240 498 I HN -0.350 nan 8.210 nan 0.000 0.423 499 I N 5.864 126.322 120.570 -0.185 0.000 2.494 499 I HA 0.017 4.203 4.170 0.027 0.000 0.289 499 I C 0.324 176.228 176.117 -0.356 0.000 1.106 499 I CA 0.096 61.184 61.300 -0.353 0.000 1.369 499 I CB 0.098 37.777 38.000 -0.535 0.000 1.410 499 I HN 0.686 nan 8.210 nan 0.000 0.523 500 C N 5.825 124.930 119.300 -0.324 0.000 3.290 500 C HA 0.471 4.947 4.460 0.027 0.000 0.206 500 C C -2.099 172.755 174.990 -0.226 0.000 1.639 500 C CA -2.301 56.586 59.018 -0.219 0.000 1.408 500 C CB -0.940 26.730 27.740 -0.117 0.000 2.197 500 C HN 0.416 nan 8.230 nan 0.000 0.508 501 P HA 0.269 nan 4.420 nan 0.000 0.271 501 P C -0.398 176.852 177.300 -0.084 0.000 1.233 501 P CA 0.460 63.457 63.100 -0.173 0.000 0.789 501 P CB 0.718 32.328 31.700 -0.151 0.000 0.951 502 M N -0.071 119.501 119.600 -0.047 0.000 2.243 502 M HA 0.447 4.943 4.480 0.027 0.000 0.324 502 M C -0.758 175.514 176.300 -0.046 0.000 1.031 502 M CA -0.711 54.450 55.300 -0.233 0.000 0.949 502 M CB 1.273 33.681 32.600 -0.320 0.000 1.615 502 M HN 0.242 nan 8.290 nan 0.000 0.430 503 Y N -0.505 119.977 120.300 0.302 0.000 4.409 503 Y HA -0.217 4.350 4.550 0.029 0.000 0.228 503 Y C 0.591 176.686 175.900 0.324 0.000 1.108 503 Y CA 0.558 58.849 58.100 0.317 0.000 1.955 503 Y CB -2.503 36.132 38.460 0.292 0.000 1.615 503 Y HN 0.981 nan 8.280 nan 0.000 0.665 504 A N 1.035 124.091 122.820 0.394 0.000 2.462 504 A HA 0.531 4.867 4.320 0.027 0.000 0.243 504 A C 0.830 178.650 177.584 0.394 0.000 1.076 504 A CA -0.371 51.901 52.037 0.390 0.000 0.773 504 A CB 0.361 19.628 19.000 0.445 0.000 1.010 504 A HN 0.402 nan 8.150 nan 0.000 0.493 505 R N 1.316 121.972 120.500 0.260 0.000 2.546 505 R HA 0.346 4.702 4.340 0.027 0.000 0.266 505 R C 1.001 177.271 176.300 -0.050 0.000 1.086 505 R CA -0.720 55.458 56.100 0.128 0.000 1.160 505 R CB 0.653 31.000 30.300 0.078 0.000 1.138 505 R HN 0.486 nan 8.270 nan 0.000 0.567 506 V N 0.598 120.324 119.914 -0.313 0.000 2.283 506 V HA -0.186 3.950 4.120 0.027 0.000 0.243 506 V C 0.936 176.913 176.094 -0.194 0.000 1.039 506 V CA 1.830 63.902 62.300 -0.380 0.000 1.016 506 V CB -0.242 31.232 31.823 -0.583 0.000 0.650 506 V HN 0.743 nan 8.190 nan 0.000 0.449 507 D N -1.425 118.895 120.400 -0.133 0.000 2.454 507 D HA 0.109 4.766 4.640 0.027 0.000 0.214 507 D C 0.862 177.146 176.300 -0.026 0.000 1.088 507 D CA 0.070 54.027 54.000 -0.072 0.000 0.855 507 D CB 0.765 41.527 40.800 -0.062 0.000 1.025 507 D HN 0.465 nan 8.370 nan 0.000 0.502 508 E N 1.856 122.046 120.200 -0.017 0.000 2.174 508 E HA 0.111 4.478 4.350 0.027 0.000 0.282 508 E C -0.837 175.764 176.600 0.001 0.000 0.992 508 E CA -0.595 55.802 56.400 -0.004 0.000 0.803 508 E CB 0.990 30.690 29.700 -0.000 0.000 1.090 508 E HN -0.168 nan 8.360 nan 0.000 0.396 509 D N 3.522 123.923 120.400 0.002 0.000 2.304 509 D HA 0.116 4.773 4.640 0.027 0.000 0.247 509 D C -0.523 175.659 176.300 -0.197 0.000 1.089 509 D CA 0.222 54.209 54.000 -0.022 0.000 0.910 509 D CB 1.117 41.976 40.800 0.098 0.000 1.199 509 D HN 0.409 nan 8.370 nan 0.000 0.426 510 Q N 1.510 121.056 119.800 -0.424 0.000 2.771 510 Q HA 0.241 4.597 4.340 0.027 0.000 0.247 510 Q C -2.218 173.066 176.000 -1.194 0.000 0.986 510 Q CA -1.527 53.803 55.803 -0.789 0.000 0.713 510 Q CB 2.291 30.544 28.738 -0.809 0.000 1.241 510 Q HN 0.164 nan 8.270 nan 0.000 0.488 511 P HA 0.033 nan 4.420 nan 0.000 0.218 511 P C -0.659 176.296 177.300 -0.576 0.000 1.793 511 P CA -0.269 62.346 63.100 -0.807 0.000 0.941 511 P CB -0.533 30.909 31.700 -0.430 0.000 1.919 512 F N 2.249 122.012 119.950 -0.311 0.000 2.629 512 F HA 0.081 4.624 4.527 0.026 0.000 0.369 512 F C -1.104 174.582 175.800 -0.191 0.000 1.125 512 F CA -2.051 55.828 58.000 -0.202 0.000 1.330 512 F CB -1.216 37.686 39.000 -0.162 0.000 1.071 512 F HN 0.126 nan 8.300 nan 0.000 0.595 513 P HA 0.157 nan 4.420 nan 0.000 0.268 513 P C 0.430 177.741 177.300 0.018 0.000 1.205 513 P CA 0.995 64.105 63.100 0.016 0.000 0.771 513 P CB 1.130 32.841 31.700 0.018 0.000 0.858 514 A N 2.643 125.468 122.820 0.008 0.000 3.292 514 A HA -0.250 4.086 4.320 0.027 0.000 0.241 514 A C 0.723 178.318 177.584 0.018 0.000 0.569 514 A CA 2.091 54.139 52.037 0.020 0.000 1.149 514 A CB -2.674 16.338 19.000 0.021 0.000 1.321 514 A HN 0.694 nan 8.150 nan 0.000 0.679 515 V N -3.215 116.703 119.914 0.006 0.000 2.502 515 V HA 0.552 4.689 4.120 0.027 0.000 0.261 515 V C -2.366 173.714 176.094 -0.022 0.000 0.996 515 V CA -1.262 61.045 62.300 0.011 0.000 1.095 515 V CB 0.644 32.481 31.823 0.024 0.000 1.325 515 V HN 0.469 nan 8.190 nan 0.000 0.574 516 P HA 0.223 nan 4.420 nan 0.000 0.269 516 P C -0.576 176.289 177.300 -0.725 0.000 1.215 516 P CA 0.196 62.880 63.100 -0.694 0.000 0.780 516 P CB 0.999 31.820 31.700 -1.465 0.000 0.898 517 K N 2.232 122.229 120.400 -0.672 0.000 2.423 517 K HA 0.195 4.532 4.320 0.027 0.000 0.234 517 K C -0.437 175.860 176.600 -0.505 0.000 1.051 517 K CA -0.273 55.833 56.287 -0.302 0.000 1.021 517 K CB 0.331 32.927 32.500 0.159 0.000 1.474 517 K HN 0.473 nan 8.250 nan 0.000 0.474 518 W N 1.274 122.220 121.300 -0.591 0.000 2.126 518 W HA 0.052 4.729 4.660 0.028 0.000 0.346 518 W C 1.352 177.857 176.519 -0.025 0.000 1.279 518 W CA -0.412 56.691 57.345 -0.403 0.000 1.259 518 W CB 0.457 29.471 29.460 -0.743 0.000 1.133 518 W HN 0.359 nan 8.180 nan 0.000 0.592 519 S N 3.011 118.855 115.700 0.239 0.000 2.561 519 S HA -0.106 4.380 4.470 0.027 0.000 0.294 519 S C 1.180 175.930 174.600 0.250 0.000 1.294 519 S CA -0.008 58.288 58.200 0.159 0.000 1.055 519 S CB 0.168 63.413 63.200 0.075 0.000 0.819 519 S HN 0.507 nan 8.310 nan 0.000 0.503 520 I N 2.050 122.730 120.570 0.184 0.000 2.394 520 I HA -0.108 4.079 4.170 0.027 0.000 0.251 520 I C 2.032 178.174 176.117 0.041 0.000 1.136 520 I CA 1.196 62.609 61.300 0.188 0.000 1.425 520 I CB -0.407 37.644 38.000 0.085 0.000 1.079 520 I HN 0.587 nan 8.210 nan 0.000 0.425 521 K N 1.532 121.850 120.400 -0.136 0.000 2.097 521 K HA -0.145 4.192 4.320 0.027 0.000 0.205 521 K C 2.292 178.873 176.600 -0.033 0.000 1.050 521 K CA 1.560 57.673 56.287 -0.290 0.000 0.938 521 K CB -0.167 32.081 32.500 -0.421 0.000 0.718 521 K HN 0.377 nan 8.250 nan 0.000 0.442 522 K N 0.035 120.446 120.400 0.017 0.000 2.103 522 K HA -0.159 4.178 4.320 0.027 0.000 0.204 522 K C 1.854 178.471 176.600 0.028 0.000 1.052 522 K CA 0.802 57.088 56.287 -0.003 0.000 0.945 522 K CB -0.060 32.409 32.500 -0.052 0.000 0.722 522 K HN 0.205 nan 8.250 nan 0.000 0.443 523 W N 2.185 123.460 121.300 -0.042 0.000 2.338 523 W HA -0.166 4.506 4.660 0.020 0.000 0.304 523 W C 1.603 178.094 176.519 -0.047 0.000 1.212 523 W CA 1.051 58.379 57.345 -0.030 0.000 1.264 523 W CB -0.600 28.922 29.460 0.104 0.000 1.142 523 W HN 0.080 nan 8.180 nan 0.000 0.512 524 L N 0.833 122.211 121.223 0.258 0.000 2.129 524 L HA -0.246 4.110 4.340 0.027 0.000 0.212 524 L C 2.108 179.041 176.870 0.105 0.000 1.087 524 L CA 1.995 56.919 54.840 0.139 0.000 0.757 524 L CB -0.961 41.166 42.059 0.114 0.000 0.896 524 L HN -0.013 nan 8.230 nan 0.000 0.434 525 S N -1.533 114.213 115.700 0.077 0.000 2.575 525 S HA 0.296 4.782 4.470 0.027 0.000 0.237 525 S C 0.472 175.058 174.600 -0.024 0.000 0.975 525 S CA -0.556 57.662 58.200 0.030 0.000 0.960 525 S CB -0.347 62.871 63.200 0.031 0.000 0.822 525 S HN 0.134 nan 8.310 nan 0.000 0.472 526 L N 1.746 122.946 121.223 -0.039 0.000 2.482 526 L HA 0.269 4.625 4.340 0.027 0.000 0.273 526 L C -2.202 174.630 176.870 -0.063 0.000 1.228 526 L CA -1.930 52.833 54.840 -0.128 0.000 0.827 526 L CB -0.218 41.735 42.059 -0.176 0.000 1.099 526 L HN 0.021 nan 8.230 nan 0.000 0.494 527 P HA -0.019 nan 4.420 nan 0.000 0.261 527 P C 0.654 177.945 177.300 -0.015 0.000 1.183 527 P CA 1.068 64.141 63.100 -0.044 0.000 0.761 527 P CB 0.524 32.192 31.700 -0.053 0.000 0.785 528 G N 1.771 110.569 108.800 -0.003 0.000 2.205 528 G HA2 -0.282 3.694 3.960 0.027 0.000 0.261 528 G HA3 -0.282 3.694 3.960 0.027 0.000 0.261 528 G C 0.297 175.211 174.900 0.023 0.000 0.980 528 G CA 0.191 45.297 45.100 0.010 0.000 0.632 528 G HN 0.610 nan 8.290 nan 0.000 0.533 529 E N 0.957 121.175 120.200 0.030 0.000 2.313 529 E HA 0.605 4.972 4.350 0.027 0.000 0.276 529 E C 1.326 177.948 176.600 0.036 0.000 1.031 529 E CA 0.656 57.086 56.400 0.049 0.000 0.857 529 E CB 0.803 30.557 29.700 0.091 0.000 1.040 529 E HN 0.536 nan 8.360 nan 0.000 0.408 530 T N 0.500 115.072 114.554 0.030 0.000 3.130 530 T HA 0.326 4.692 4.350 0.027 0.000 0.288 530 T C 0.522 175.229 174.700 0.012 0.000 0.936 530 T CA -0.481 61.632 62.100 0.021 0.000 0.897 530 T CB 0.063 68.943 68.868 0.020 0.000 1.178 530 T HN 0.255 nan 8.240 nan 0.000 0.543 531 R N 2.410 122.913 120.500 0.004 0.000 2.707 531 R HA 0.453 4.809 4.340 0.027 0.000 0.270 531 R C -2.505 173.773 176.300 -0.036 0.000 1.083 531 R CA -1.784 54.307 56.100 -0.014 0.000 1.182 531 R CB 0.062 30.345 30.300 -0.027 0.000 1.084 531 R HN 0.231 nan 8.270 nan 0.000 0.528 532 P HA 0.071 nan 4.420 nan 0.000 0.274 532 P C -1.049 176.182 177.300 -0.114 0.000 1.237 532 P CA -0.100 62.958 63.100 -0.069 0.000 0.793 532 P CB 0.679 32.338 31.700 -0.068 0.000 0.977 533 L N 2.374 123.510 121.223 -0.145 0.000 2.356 533 L HA 0.582 4.939 4.340 0.027 0.000 0.277 533 L C -1.013 175.722 176.870 -0.225 0.000 0.996 533 L CA -0.671 54.046 54.840 -0.205 0.000 0.822 533 L CB 0.711 42.645 42.059 -0.209 0.000 1.256 533 L HN 0.232 nan 8.230 nan 0.000 0.413 534 I N 5.707 126.152 120.570 -0.208 0.000 2.497 534 I HA 0.254 4.441 4.170 0.027 0.000 0.284 534 I C -0.780 175.259 176.117 -0.130 0.000 1.060 534 I CA -0.520 60.645 61.300 -0.224 0.000 1.071 534 I CB 1.977 39.903 38.000 -0.124 0.000 1.216 534 I HN 0.477 nan 8.210 nan 0.000 0.442 535 L N 5.631 126.751 121.223 -0.172 0.000 2.462 535 L HA 0.021 4.378 4.340 0.027 0.000 0.272 535 L C 1.525 178.489 176.870 0.156 0.000 1.166 535 L CA -0.084 54.728 54.840 -0.046 0.000 0.880 535 L CB 0.648 42.667 42.059 -0.066 0.000 1.142 535 L HN 0.863 nan 8.230 nan 0.000 0.473 536 C N 0.974 120.340 119.300 0.109 0.000 2.448 536 C HA 0.066 4.543 4.460 0.027 0.000 0.280 536 C C 0.747 175.901 174.990 0.273 0.000 1.398 536 C CA -0.099 59.030 59.018 0.184 0.000 1.774 536 C CB -0.951 26.805 27.740 0.025 0.000 1.888 536 C HN 0.812 nan 8.230 nan 0.000 0.519 537 Q N -0.372 119.523 119.800 0.159 0.000 2.268 537 Q HA 0.614 4.970 4.340 0.027 0.000 0.266 537 Q C -1.457 174.563 176.000 0.033 0.000 1.006 537 Q CA -0.344 55.556 55.803 0.162 0.000 0.824 537 Q CB 2.425 31.060 28.738 -0.171 0.000 1.306 537 Q HN 0.700 nan 8.270 nan 0.000 0.424 538 Y N -0.256 120.096 120.300 0.086 0.000 2.638 538 Y HA 0.804 5.371 4.550 0.030 0.000 0.335 538 Y C -0.811 175.261 175.900 0.286 0.000 1.155 538 Y CA -0.901 57.232 58.100 0.055 0.000 1.046 538 Y CB 0.547 38.872 38.460 -0.224 0.000 1.303 538 Y HN 0.927 nan 8.280 nan 0.000 0.460 539 A N 1.393 124.290 122.820 0.128 0.000 2.443 539 A HA 0.057 4.393 4.320 0.027 0.000 0.686 539 A C -1.196 176.615 177.584 0.378 0.000 0.144 539 A CA 0.639 52.762 52.037 0.144 0.000 0.033 539 A CB -1.476 17.504 19.000 -0.035 0.000 3.972 539 A HN 1.797 nan 8.150 nan 0.000 0.548 540 H N 1.168 120.348 119.070 0.183 0.000 3.177 540 H HA 0.534 5.107 4.556 0.027 0.000 0.314 540 H C 0.085 175.460 175.328 0.079 0.000 1.059 540 H CA 0.255 56.454 56.048 0.251 0.000 1.515 540 H CB 0.855 30.632 29.762 0.025 0.000 1.672 540 H HN 1.535 nan 8.280 nan 0.000 0.514 541 A N 6.461 129.170 122.820 -0.186 0.000 3.117 541 A HA 0.154 4.491 4.320 0.027 0.000 0.255 541 A C 0.585 177.957 177.584 -0.354 0.000 1.583 541 A CA -0.434 51.455 52.037 -0.246 0.000 1.234 541 A CB -0.691 18.168 19.000 -0.235 0.000 1.076 541 A HN 0.725 nan 8.150 nan 0.000 0.653 542 M N 1.645 121.044 119.600 -0.336 0.000 2.105 542 M HA 0.475 4.972 4.480 0.027 0.000 0.350 542 M C 0.892 176.945 176.300 -0.411 0.000 1.308 542 M CA 1.177 56.272 55.300 -0.342 0.000 1.108 542 M CB 0.082 32.571 32.600 -0.184 0.000 1.622 542 M HN 0.892 nan 8.290 nan 0.000 0.468 543 G N 4.129 112.611 108.800 -0.529 0.000 2.552 543 G HA2 -0.327 3.650 3.960 0.027 0.000 0.265 543 G HA3 -0.327 3.650 3.960 0.027 0.000 0.265 543 G C -0.337 173.969 174.900 -0.989 0.000 1.234 543 G CA -0.085 44.564 45.100 -0.751 0.000 0.944 543 G HN 0.855 nan 8.290 nan 0.000 0.568 544 N N 1.058 119.069 118.700 -1.148 0.000 2.421 544 N HA 0.501 5.258 4.740 0.027 0.000 0.260 544 N C 0.079 175.292 175.510 -0.494 0.000 1.173 544 N CA 1.063 53.598 53.050 -0.859 0.000 0.960 544 N CB 0.561 38.565 38.487 -0.805 0.000 1.273 544 N HN 0.867 nan 8.380 nan 0.000 0.497 545 S N 2.217 117.702 115.700 -0.359 0.000 3.121 545 S HA 0.572 5.059 4.470 0.027 0.000 0.324 545 S C -0.098 174.403 174.600 -0.164 0.000 1.192 545 S CA -0.325 57.729 58.200 -0.244 0.000 0.937 545 S CB -0.010 63.053 63.200 -0.230 0.000 1.336 545 S HN 0.369 nan 8.310 nan 0.000 0.664 546 L N 0.077 121.245 121.223 -0.092 0.000 4.800 546 L HA -0.067 4.290 4.340 0.027 0.000 0.412 546 L C 0.540 177.440 176.870 0.050 0.000 1.063 546 L CA 0.909 55.730 54.840 -0.033 0.000 1.114 546 L CB -1.743 40.210 42.059 -0.176 0.000 2.089 546 L HN 0.722 nan 8.230 nan 0.000 0.686 547 G N -0.922 107.876 108.800 -0.004 0.000 2.365 547 G HA2 0.476 4.453 3.960 0.027 0.000 0.249 547 G HA3 0.476 4.453 3.960 0.027 0.000 0.249 547 G C 1.215 176.155 174.900 0.065 0.000 1.288 547 G CA 0.155 45.237 45.100 -0.030 0.000 0.887 547 G HN 1.321 nan 8.290 nan 0.000 0.524 548 G N 1.583 110.420 108.800 0.061 0.000 2.175 548 G HA2 -0.313 3.663 3.960 0.027 0.000 0.244 548 G HA3 -0.313 3.663 3.960 0.027 0.000 0.244 548 G C 1.014 176.099 174.900 0.310 0.000 0.982 548 G CA 0.736 45.930 45.100 0.157 0.000 0.641 548 G HN 0.760 nan 8.290 nan 0.000 0.527 549 F N 1.935 122.007 119.950 0.202 0.000 2.095 549 F HA 0.123 4.667 4.527 0.028 0.000 0.298 549 F C 2.718 178.733 175.800 0.358 0.000 1.104 549 F CA 2.637 60.832 58.000 0.325 0.000 1.232 549 F CB -0.460 38.669 39.000 0.215 0.000 0.987 549 F HN 0.346 nan 8.300 nan 0.000 0.475 550 A N -0.342 122.657 122.820 0.298 0.000 2.024 550 A HA -0.259 4.077 4.320 0.027 0.000 0.220 550 A C 2.285 179.897 177.584 0.046 0.000 1.164 550 A CA 1.836 53.975 52.037 0.172 0.000 0.643 550 A CB -0.840 18.263 19.000 0.172 0.000 0.806 550 A HN 0.468 nan 8.150 nan 0.000 0.451 551 K N -1.678 118.731 120.400 0.016 0.000 2.097 551 K HA -0.171 4.165 4.320 0.027 0.000 0.206 551 K C 1.687 178.068 176.600 -0.366 0.000 1.049 551 K CA 1.541 57.752 56.287 -0.127 0.000 0.933 551 K CB -0.297 32.132 32.500 -0.118 0.000 0.717 551 K HN 0.572 nan 8.250 nan 0.000 0.442 552 Y N -0.818 119.211 120.300 -0.453 0.000 2.145 552 Y HA -0.233 4.333 4.550 0.026 0.000 0.286 552 Y C 1.968 176.921 175.900 -1.579 0.000 1.145 552 Y CA 1.611 59.078 58.100 -1.056 0.000 1.148 552 Y CB -0.384 37.409 38.460 -1.112 0.000 0.981 552 Y HN 0.168 nan 8.280 nan 0.000 0.507 553 W N -0.005 120.878 121.300 -0.695 0.000 2.374 553 W HA -0.184 4.494 4.660 0.030 0.000 0.288 553 W C 2.611 178.964 176.519 -0.277 0.000 1.218 553 W CA 1.475 58.542 57.345 -0.463 0.000 1.245 553 W CB -0.491 28.787 29.460 -0.302 0.000 1.126 553 W HN 0.055 nan 8.180 nan 0.000 0.545 554 Q N 0.758 120.474 119.800 -0.139 0.000 2.119 554 Q HA -0.143 4.214 4.340 0.027 0.000 0.201 554 Q C 2.170 178.111 176.000 -0.099 0.000 0.972 554 Q CA 1.961 57.723 55.803 -0.067 0.000 0.847 554 Q CB -0.536 28.177 28.738 -0.041 0.000 0.903 554 Q HN 0.265 nan 8.270 nan 0.000 0.433 555 A N 0.186 122.853 122.820 -0.255 0.000 1.898 555 A HA -0.119 4.217 4.320 0.027 0.000 0.216 555 A C 1.821 179.372 177.584 -0.055 0.000 1.181 555 A CA 1.095 53.016 52.037 -0.193 0.000 0.620 555 A CB -0.781 17.977 19.000 -0.403 0.000 0.819 555 A HN 0.360 nan 8.150 nan 0.000 0.442 556 F N 0.229 119.994 119.950 -0.308 0.000 2.126 556 F HA -0.125 4.419 4.527 0.028 0.000 0.299 556 F C 2.488 178.186 175.800 -0.170 0.000 1.096 556 F CA 1.296 59.087 58.000 -0.349 0.000 1.255 556 F CB -0.837 37.722 39.000 -0.735 0.000 0.997 556 F HN 0.189 nan 8.300 nan 0.000 0.479 557 R N -0.357 120.194 120.500 0.084 0.000 2.153 557 R HA -0.113 4.244 4.340 0.027 0.000 0.218 557 R C 2.118 178.452 176.300 0.055 0.000 1.072 557 R CA 0.898 57.034 56.100 0.061 0.000 0.990 557 R CB -0.331 30.002 30.300 0.055 0.000 0.889 557 R HN 0.382 nan 8.270 nan 0.000 0.452 558 Q N -0.336 119.525 119.800 0.102 0.000 2.212 558 Q HA -0.040 4.316 4.340 0.027 0.000 0.199 558 Q C -0.468 175.552 176.000 0.033 0.000 0.950 558 Q CA 0.844 56.691 55.803 0.075 0.000 0.863 558 Q CB 0.397 29.212 28.738 0.128 0.000 0.944 558 Q HN 0.176 nan 8.270 nan 0.000 0.465 559 Y N 0.256 120.536 120.300 -0.033 0.000 2.353 559 Y HA 0.271 4.836 4.550 0.025 0.000 0.340 559 Y C -1.784 174.090 175.900 -0.045 0.000 0.972 559 Y CA -2.767 55.313 58.100 -0.033 0.000 1.157 559 Y CB 1.468 39.913 38.460 -0.025 0.000 1.157 559 Y HN 0.117 nan 8.280 nan 0.000 0.495 560 P HA -0.174 nan 4.420 nan 0.000 0.215 560 P C 1.161 178.462 177.300 0.002 0.000 1.157 560 P CA 1.932 65.032 63.100 0.000 0.000 0.874 560 P CB 0.298 31.983 31.700 -0.025 0.000 0.790 561 R N -1.150 119.371 120.500 0.034 0.000 2.316 561 R HA 0.055 4.411 4.340 0.027 0.000 0.202 561 R C 0.457 176.737 176.300 -0.033 0.000 1.029 561 R CA 0.211 56.312 56.100 0.002 0.000 1.018 561 R CB -0.578 29.733 30.300 0.019 0.000 0.888 561 R HN 0.246 nan 8.270 nan 0.000 0.471 562 L N 1.871 123.093 121.223 -0.002 0.000 2.312 562 L HA 0.112 4.469 4.340 0.027 0.000 0.287 562 L C 0.626 177.345 176.870 -0.252 0.000 1.091 562 L CA 0.182 54.967 54.840 -0.093 0.000 0.846 562 L CB 1.026 43.103 42.059 0.030 0.000 1.219 562 L HN 0.082 nan 8.230 nan 0.000 0.439 563 Q N 2.736 122.315 119.800 -0.370 0.000 2.201 563 Q HA 0.292 4.649 4.340 0.027 0.000 0.217 563 Q C 0.879 176.465 176.000 -0.690 0.000 0.860 563 Q CA 0.148 55.701 55.803 -0.417 0.000 0.984 563 Q CB 1.003 29.588 28.738 -0.254 0.000 1.095 563 Q HN 0.972 nan 8.270 nan 0.000 0.477 564 G N -0.228 107.787 108.800 -1.308 0.000 2.418 564 G HA2 0.074 4.050 3.960 0.027 0.000 0.206 564 G HA3 0.074 4.050 3.960 0.027 0.000 0.206 564 G C -0.234 173.835 174.900 -1.385 0.000 1.202 564 G CA -0.731 43.189 45.100 -1.967 0.000 1.061 564 G HN 0.597 nan 8.290 nan 0.000 0.563 565 G N -2.171 106.117 108.800 -0.854 0.000 2.322 565 G HA2 0.624 4.601 3.960 0.027 0.000 0.295 565 G HA3 0.624 4.601 3.960 0.027 0.000 0.295 565 G C -1.796 173.027 174.900 -0.129 0.000 1.369 565 G CA -0.244 44.581 45.100 -0.460 0.000 0.821 565 G HN 1.148 nan 8.290 nan 0.000 0.536 566 F N 0.748 120.954 119.950 0.427 0.000 2.375 566 F HA 0.523 5.065 4.527 0.025 0.000 0.361 566 F C 0.847 176.942 175.800 0.491 0.000 1.117 566 F CA -0.733 57.535 58.000 0.446 0.000 1.037 566 F CB 1.972 41.133 39.000 0.268 0.000 1.192 566 F HN 0.260 nan 8.300 nan 0.000 0.452 567 V N 3.318 123.522 119.914 0.484 0.000 2.872 567 V HA -0.139 3.998 4.120 0.027 0.000 0.307 567 V C -0.231 176.004 176.094 0.235 0.000 1.072 567 V CA -0.243 62.131 62.300 0.123 0.000 1.148 567 V CB 0.782 32.712 31.823 0.177 0.000 0.954 567 V HN 0.762 nan 8.190 nan 0.000 0.490 568 W N 6.216 127.593 121.300 0.128 0.000 2.296 568 W HA 0.449 5.125 4.660 0.027 0.000 0.316 568 W C -0.871 175.676 176.519 0.046 0.000 1.022 568 W CA -0.663 56.802 57.345 0.200 0.000 1.324 568 W CB 1.321 31.066 29.460 0.475 0.000 1.227 568 W HN 0.924 nan 8.180 nan 0.000 0.409 569 D N 2.712 122.773 120.400 -0.565 0.000 2.895 569 D HA 0.099 4.755 4.640 0.027 0.000 0.320 569 D C 0.685 176.792 176.300 -0.322 0.000 1.249 569 D CA -0.533 53.043 54.000 -0.707 0.000 0.997 569 D CB 0.189 40.033 40.800 -1.593 0.000 1.430 569 D HN 0.409 nan 8.370 nan 0.000 0.558 570 W N 0.403 121.441 121.300 -0.438 0.000 2.413 570 W HA 0.159 4.836 4.660 0.028 0.000 0.315 570 W C -0.168 176.206 176.519 -0.242 0.000 1.186 570 W CA 1.061 58.209 57.345 -0.328 0.000 1.326 570 W CB 0.351 29.629 29.460 -0.304 0.000 1.153 570 W HN 0.140 nan 8.180 nan 0.000 0.489 571 V N 2.748 122.460 119.914 -0.336 0.000 2.709 571 V HA 0.239 4.376 4.120 0.027 0.000 0.308 571 V C -0.933 175.018 176.094 -0.238 0.000 1.062 571 V CA -0.787 61.289 62.300 -0.374 0.000 0.901 571 V CB 1.532 33.232 31.823 -0.204 0.000 1.003 571 V HN -0.106 nan 8.190 nan 0.000 0.425 572 D N 4.147 124.419 120.400 -0.213 0.000 2.493 572 D HA 0.102 4.759 4.640 0.027 0.000 0.240 572 D C 0.327 176.482 176.300 -0.241 0.000 1.142 572 D CA 0.630 54.532 54.000 -0.163 0.000 0.872 572 D CB 0.915 41.687 40.800 -0.047 0.000 1.173 572 D HN 0.605 nan 8.370 nan 0.000 0.467 573 Q N 1.189 120.765 119.800 -0.374 0.000 3.170 573 Q HA 0.120 4.477 4.340 0.027 0.000 0.346 573 Q C -0.059 175.859 176.000 -0.137 0.000 1.333 573 Q CA -0.316 55.012 55.803 -0.791 0.000 0.958 573 Q CB 0.023 28.436 28.738 -0.541 0.000 1.600 573 Q HN 0.364 nan 8.270 nan 0.000 0.482 574 S N -0.165 115.572 115.700 0.063 0.000 2.610 574 S HA 0.616 5.103 4.470 0.027 0.000 0.273 574 S C -0.110 174.646 174.600 0.260 0.000 1.274 574 S CA -0.752 57.603 58.200 0.259 0.000 1.023 574 S CB 1.412 64.752 63.200 0.233 0.000 0.962 574 S HN 0.335 nan 8.310 nan 0.000 0.523 575 L N 1.742 123.041 121.223 0.127 0.000 2.354 575 L HA 0.525 4.881 4.340 0.027 0.000 0.269 575 L C -0.445 176.322 176.870 -0.172 0.000 1.005 575 L CA -1.200 53.592 54.840 -0.079 0.000 0.819 575 L CB 1.516 43.404 42.059 -0.284 0.000 1.311 575 L HN 0.558 nan 8.230 nan 0.000 0.423 576 I N 2.412 122.825 120.570 -0.261 0.000 2.441 576 I HA 0.253 4.439 4.170 0.027 0.000 0.287 576 I C 0.162 175.877 176.117 -0.670 0.000 1.049 576 I CA 0.024 61.042 61.300 -0.471 0.000 1.381 576 I CB 1.017 38.756 38.000 -0.435 0.000 1.409 576 I HN 0.577 nan 8.210 nan 0.000 0.523 577 K N 5.351 125.081 120.400 -1.118 0.000 2.350 577 K HA 0.562 4.898 4.320 0.027 0.000 0.241 577 K C -1.542 174.245 176.600 -1.354 0.000 0.994 577 K CA -0.707 54.847 56.287 -1.222 0.000 0.839 577 K CB 2.263 33.768 32.500 -1.659 0.000 1.244 577 K HN 0.240 nan 8.250 nan 0.000 0.443 578 Y N 0.879 120.951 120.300 -0.380 0.000 2.376 578 Y HA 0.125 4.691 4.550 0.028 0.000 0.340 578 Y C 0.173 176.173 175.900 0.167 0.000 0.965 578 Y CA -1.105 56.949 58.100 -0.077 0.000 1.078 578 Y CB 1.239 39.666 38.460 -0.054 0.000 1.193 578 Y HN 0.681 nan 8.280 nan 0.000 0.452 579 D N 0.101 120.754 120.400 0.423 0.000 2.414 579 D HA 0.009 4.666 4.640 0.027 0.000 0.259 579 D C 0.786 177.196 176.300 0.183 0.000 1.269 579 D CA -0.361 53.825 54.000 0.311 0.000 1.028 579 D CB 0.519 41.431 40.800 0.187 0.000 1.093 579 D HN 0.731 nan 8.370 nan 0.000 0.545 580 E N -0.765 119.502 120.200 0.112 0.000 2.209 580 E HA -0.218 4.148 4.350 0.027 0.000 0.196 580 E C 0.811 177.449 176.600 0.063 0.000 0.993 580 E CA 0.956 57.398 56.400 0.071 0.000 0.819 580 E CB -0.490 29.234 29.700 0.039 0.000 0.745 580 E HN 0.292 nan 8.360 nan 0.000 0.477 581 N N 0.308 119.053 118.700 0.075 0.000 2.398 581 N HA 0.057 4.813 4.740 0.027 0.000 0.188 581 N C 0.943 176.499 175.510 0.077 0.000 1.122 581 N CA 0.898 53.986 53.050 0.062 0.000 0.866 581 N CB 1.080 39.602 38.487 0.057 0.000 0.970 581 N HN 0.445 nan 8.380 nan 0.000 0.462 582 G N 0.445 109.313 108.800 0.113 0.000 2.157 582 G HA2 -0.250 3.727 3.960 0.027 0.000 0.248 582 G HA3 -0.250 3.727 3.960 0.027 0.000 0.248 582 G C -0.113 174.924 174.900 0.229 0.000 0.979 582 G CA -0.352 44.819 45.100 0.118 0.000 0.650 582 G HN 0.285 nan 8.290 nan 0.000 0.529 583 N N 1.783 120.620 118.700 0.228 0.000 2.498 583 N HA 0.471 5.227 4.740 0.027 0.000 0.287 583 N C -2.458 173.204 175.510 0.253 0.000 1.097 583 N CA -1.161 52.027 53.050 0.230 0.000 0.973 583 N CB 1.796 40.377 38.487 0.157 0.000 1.153 583 N HN 0.172 nan 8.380 nan 0.000 0.472 584 P HA 0.237 nan 4.420 nan 0.000 0.275 584 P C -0.546 176.733 177.300 -0.034 0.000 1.228 584 P CA -0.260 62.720 63.100 -0.200 0.000 0.786 584 P CB 0.677 32.263 31.700 -0.191 0.000 0.927 585 W N -0.617 120.447 121.300 -0.393 0.000 3.167 585 W HA 0.441 5.117 4.660 0.027 0.000 0.324 585 W C -1.495 174.848 176.519 -0.293 0.000 1.230 585 W CA -1.063 56.065 57.345 -0.362 0.000 1.184 585 W CB 0.432 29.458 29.460 -0.722 0.000 1.414 585 W HN 0.114 nan 8.180 nan 0.000 0.551 586 S N 1.592 117.390 115.700 0.163 0.000 2.499 586 S HA 0.604 5.090 4.470 0.027 0.000 0.275 586 S C 0.116 174.907 174.600 0.318 0.000 1.257 586 S CA -0.261 58.020 58.200 0.135 0.000 1.050 586 S CB 0.985 64.315 63.200 0.215 0.000 0.937 586 S HN 0.610 nan 8.310 nan 0.000 0.490 587 A N 2.909 125.779 122.820 0.083 0.000 2.337 587 A HA 0.895 5.232 4.320 0.027 0.000 0.331 587 A C -0.767 177.066 177.584 0.414 0.000 1.137 587 A CA -0.771 51.346 52.037 0.133 0.000 0.807 587 A CB 0.741 19.512 19.000 -0.381 0.000 1.250 587 A HN 0.842 nan 8.150 nan 0.000 0.468 588 Y N -0.659 119.948 120.300 0.511 0.000 3.048 588 Y HA 0.784 5.351 4.550 0.028 0.000 0.305 588 Y C 0.692 176.945 175.900 0.590 0.000 1.538 588 Y CA -1.325 57.078 58.100 0.507 0.000 1.082 588 Y CB -0.092 38.499 38.460 0.218 0.000 1.388 588 Y HN 0.898 nan 8.280 nan 0.000 0.557 589 G N -0.289 108.912 108.800 0.669 0.000 2.321 589 G HA2 0.369 4.345 3.960 0.027 0.000 0.237 589 G HA3 0.369 4.345 3.960 0.027 0.000 0.237 589 G C 0.945 176.150 174.900 0.507 0.000 1.282 589 G CA 0.383 45.794 45.100 0.519 0.000 0.886 589 G HN 1.960 nan 8.290 nan 0.000 0.528 590 G N 2.057 111.118 108.800 0.436 0.000 2.253 590 G HA2 -0.281 3.695 3.960 0.027 0.000 0.251 590 G HA3 -0.281 3.695 3.960 0.027 0.000 0.251 590 G C 0.924 175.996 174.900 0.287 0.000 0.998 590 G CA 0.697 45.992 45.100 0.325 0.000 0.621 590 G HN 0.639 nan 8.290 nan 0.000 0.524 591 D N -0.213 120.365 120.400 0.297 0.000 2.371 591 D HA 0.132 4.788 4.640 0.027 0.000 0.221 591 D C 1.353 177.492 176.300 -0.270 0.000 0.986 591 D CA 0.515 54.525 54.000 0.016 0.000 0.899 591 D CB -0.194 40.563 40.800 -0.070 0.000 0.902 591 D HN 0.487 nan 8.370 nan 0.000 0.530 592 F N -0.891 119.177 119.950 0.197 0.000 2.668 592 F HA 0.311 4.855 4.527 0.028 0.000 0.301 592 F C 1.790 177.672 175.800 0.136 0.000 1.106 592 F CA -0.132 57.945 58.000 0.129 0.000 1.289 592 F CB 0.814 39.891 39.000 0.128 0.000 1.006 592 F HN -0.044 nan 8.300 nan 0.000 0.535 593 G N 0.222 109.168 108.800 0.243 0.000 2.176 593 G HA2 -0.269 3.707 3.960 0.027 0.000 0.253 593 G HA3 -0.269 3.707 3.960 0.027 0.000 0.253 593 G C -0.217 174.813 174.900 0.217 0.000 0.979 593 G CA 0.084 45.299 45.100 0.192 0.000 0.641 593 G HN 0.387 nan 8.290 nan 0.000 0.530 594 D N 0.574 121.151 120.400 0.294 0.000 2.425 594 D HA 0.504 5.160 4.640 0.027 0.000 0.247 594 D C 0.121 176.532 176.300 0.186 0.000 1.147 594 D CA 0.934 55.093 54.000 0.264 0.000 0.879 594 D CB 1.608 42.618 40.800 0.349 0.000 1.179 594 D HN 0.379 nan 8.370 nan 0.000 0.456 595 T N 1.074 115.708 114.554 0.134 0.000 3.159 595 T HA 0.417 4.783 4.350 0.027 0.000 0.343 595 T C -2.757 171.974 174.700 0.053 0.000 1.364 595 T CA -1.162 60.990 62.100 0.086 0.000 1.102 595 T CB 1.025 69.946 68.868 0.089 0.000 1.263 595 T HN 0.204 nan 8.240 nan 0.000 0.477 596 P HA 0.470 nan 4.420 nan 0.000 0.271 596 P C -0.931 176.353 177.300 -0.027 0.000 1.233 596 P CA -0.264 62.830 63.100 -0.010 0.000 0.789 596 P CB 0.313 31.983 31.700 -0.050 0.000 0.951 597 N N -1.772 116.908 118.700 -0.034 0.000 2.610 597 N HA 0.291 5.048 4.740 0.027 0.000 0.264 597 N C -1.155 174.297 175.510 -0.098 0.000 1.348 597 N CA -0.765 52.239 53.050 -0.075 0.000 0.819 597 N CB 0.937 39.467 38.487 0.071 0.000 1.521 597 N HN 0.080 nan 8.380 nan 0.000 0.497 598 D N -0.138 120.145 120.400 -0.195 0.000 2.643 598 D HA 0.134 4.791 4.640 0.027 0.000 0.244 598 D C 0.453 176.956 176.300 0.339 0.000 1.257 598 D CA -0.101 53.878 54.000 -0.034 0.000 0.831 598 D CB 0.149 40.791 40.800 -0.263 0.000 1.043 598 D HN 0.736 nan 8.370 nan 0.000 0.488 599 R N 0.757 121.456 120.500 0.333 0.000 3.772 599 R HA -0.318 4.038 4.340 0.027 0.000 0.480 599 R C 1.078 177.460 176.300 0.137 0.000 0.241 599 R CA 1.488 57.793 56.100 0.342 0.000 1.508 599 R CB -1.617 28.804 30.300 0.200 0.000 0.956 599 R HN 0.146 nan 8.270 nan 0.000 0.583 600 Q N 1.563 121.096 119.800 -0.445 0.000 2.482 600 Q HA 0.003 4.360 4.340 0.027 0.000 0.209 600 Q C 1.509 177.221 176.000 -0.480 0.000 0.961 600 Q CA 1.267 56.606 55.803 -0.774 0.000 0.945 600 Q CB 0.053 28.076 28.738 -1.192 0.000 1.012 600 Q HN 0.603 nan 8.270 nan 0.000 0.515 601 F N 1.448 121.341 119.950 -0.095 0.000 2.583 601 F HA -0.097 4.447 4.527 0.028 0.000 0.297 601 F C 2.175 177.929 175.800 -0.076 0.000 1.131 601 F CA 0.925 58.941 58.000 0.027 0.000 1.467 601 F CB -0.209 38.879 39.000 0.145 0.000 1.097 601 F HN 0.412 nan 8.300 nan 0.000 0.586 602 C N -1.399 117.628 119.300 -0.456 0.000 2.576 602 C HA 0.252 4.728 4.460 0.027 0.000 0.267 602 C C 0.978 175.769 174.990 -0.331 0.000 1.364 602 C CA -0.505 58.053 59.018 -0.767 0.000 1.723 602 C CB -1.674 25.033 27.740 -1.722 0.000 1.778 602 C HN 0.192 nan 8.230 nan 0.000 0.572 603 M N 2.597 122.057 119.600 -0.233 0.000 2.060 603 M HA 0.282 4.778 4.480 0.027 0.000 0.342 603 M C -0.428 175.759 176.300 -0.189 0.000 1.031 603 M CA 0.333 55.526 55.300 -0.179 0.000 0.981 603 M CB 0.119 32.636 32.600 -0.138 0.000 1.376 603 M HN 0.359 nan 8.290 nan 0.000 0.397 604 N N 0.964 119.558 118.700 -0.177 0.000 2.305 604 N HA 0.208 4.965 4.740 0.027 0.000 0.248 604 N C 0.282 175.610 175.510 -0.304 0.000 1.290 604 N CA -0.547 52.355 53.050 -0.247 0.000 0.873 604 N CB 1.279 39.706 38.487 -0.100 0.000 1.261 604 N HN 0.652 nan 8.380 nan 0.000 0.504 605 G N -0.061 108.575 108.800 -0.273 0.000 2.477 605 G HA2 0.373 4.350 3.960 0.027 0.000 0.304 605 G HA3 0.373 4.350 3.960 0.027 0.000 0.304 605 G C 0.717 175.469 174.900 -0.247 0.000 1.175 605 G CA -0.571 44.345 45.100 -0.306 0.000 0.907 605 G HN 0.086 nan 8.290 nan 0.000 0.509 606 L N -0.287 120.735 121.223 -0.334 0.000 2.291 606 L HA 0.094 4.450 4.340 0.027 0.000 0.214 606 L C 0.901 177.552 176.870 -0.365 0.000 1.120 606 L CA 0.471 55.139 54.840 -0.287 0.000 0.799 606 L CB -0.363 41.509 42.059 -0.310 0.000 0.925 606 L HN 0.378 nan 8.230 nan 0.000 0.446 607 V N -5.111 114.425 119.914 -0.630 0.000 2.914 607 V HA 0.471 4.607 4.120 0.027 0.000 0.314 607 V C -0.220 175.501 176.094 -0.623 0.000 1.084 607 V CA -1.255 60.635 62.300 -0.684 0.000 0.963 607 V CB 1.629 32.993 31.823 -0.766 0.000 1.025 607 V HN -0.159 nan 8.190 nan 0.000 0.432 608 F N 1.787 121.343 119.950 -0.657 0.000 2.485 608 F HA 0.546 5.090 4.527 0.028 0.000 0.327 608 F C 1.920 177.556 175.800 -0.274 0.000 1.203 608 F CA 0.754 58.489 58.000 -0.441 0.000 1.295 608 F CB 0.849 39.608 39.000 -0.400 0.000 1.191 608 F HN 0.794 nan 8.300 nan 0.000 0.588 609 A N 0.810 123.668 122.820 0.063 0.000 1.978 609 A HA -0.224 4.112 4.320 0.027 0.000 0.220 609 A C 1.635 179.176 177.584 -0.072 0.000 1.170 609 A CA 1.878 53.926 52.037 0.018 0.000 0.636 609 A CB -0.998 18.054 19.000 0.086 0.000 0.810 609 A HN 0.792 nan 8.150 nan 0.000 0.448 610 D N -2.913 117.443 120.400 -0.072 0.000 2.336 610 D HA 0.122 4.779 4.640 0.027 0.000 0.229 610 D C 0.727 176.982 176.300 -0.076 0.000 1.061 610 D CA 0.105 54.038 54.000 -0.112 0.000 0.875 610 D CB -0.099 40.631 40.800 -0.116 0.000 0.904 610 D HN 0.250 nan 8.370 nan 0.000 0.525 611 R N -2.028 118.426 120.500 -0.075 0.000 3.728 611 R HA -0.123 4.234 4.340 0.027 0.000 0.478 611 R C -0.228 176.032 176.300 -0.066 0.000 0.932 611 R CA 1.149 57.207 56.100 -0.071 0.000 1.317 611 R CB -3.129 27.180 30.300 0.015 0.000 1.987 611 R HN 0.243 nan 8.270 nan 0.000 0.509 612 T N 2.811 117.334 114.554 -0.052 0.000 2.902 612 T HA 0.286 4.652 4.350 0.027 0.000 0.301 612 T C -2.307 172.381 174.700 -0.020 0.000 1.012 612 T CA -0.537 61.543 62.100 -0.034 0.000 1.151 612 T CB 0.868 69.677 68.868 -0.097 0.000 0.946 612 T HN -0.076 nan 8.240 nan 0.000 0.542 613 P HA 0.230 nan 4.420 nan 0.000 0.275 613 P C -0.273 176.958 177.300 -0.115 0.000 1.228 613 P CA -0.273 62.755 63.100 -0.119 0.000 0.786 613 P CB 0.437 32.111 31.700 -0.043 0.000 0.927 614 H N 2.781 121.718 119.070 -0.221 0.000 2.546 614 H HA 0.138 4.711 4.556 0.027 0.000 0.365 614 H C -1.228 174.009 175.328 -0.152 0.000 1.220 614 H CA -1.398 54.484 56.048 -0.276 0.000 1.386 614 H CB 0.034 29.568 29.762 -0.379 0.000 1.510 614 H HN 0.367 nan 8.280 nan 0.000 0.591 615 P HA -0.141 nan 4.420 nan 0.000 0.220 615 P C 0.864 178.160 177.300 -0.006 0.000 1.148 615 P CA 1.449 64.544 63.100 -0.009 0.000 0.803 615 P CB 0.109 31.806 31.700 -0.006 0.000 0.782 616 A N -0.593 122.214 122.820 -0.021 0.000 2.070 616 A HA -0.161 4.175 4.320 0.027 0.000 0.220 616 A C 2.029 179.560 177.584 -0.087 0.000 1.159 616 A CA 1.058 53.045 52.037 -0.082 0.000 0.656 616 A CB -1.522 17.389 19.000 -0.148 0.000 0.800 616 A HN 0.161 nan 8.150 nan 0.000 0.453 617 L N -0.581 120.622 121.223 -0.034 0.000 2.046 617 L HA -0.124 4.232 4.340 0.027 0.000 0.208 617 L C 2.517 179.434 176.870 0.078 0.000 1.077 617 L CA 2.711 57.570 54.840 0.032 0.000 0.747 617 L CB -0.988 41.094 42.059 0.038 0.000 0.896 617 L HN 0.369 nan 8.230 nan 0.000 0.432 618 T N -1.553 113.050 114.554 0.082 0.000 2.833 618 T HA -0.221 4.145 4.350 0.027 0.000 0.269 618 T C 1.814 176.623 174.700 0.182 0.000 1.054 618 T CA 1.537 63.737 62.100 0.167 0.000 1.135 618 T CB -0.149 68.796 68.868 0.128 0.000 0.869 618 T HN 0.490 nan 8.240 nan 0.000 0.466 619 E N 0.755 121.000 120.200 0.076 0.000 2.077 619 E HA 0.043 4.410 4.350 0.027 0.000 0.193 619 E C 2.200 178.808 176.600 0.013 0.000 0.989 619 E CA 1.418 57.864 56.400 0.077 0.000 0.800 619 E CB -0.657 29.048 29.700 0.009 0.000 0.746 619 E HN 0.534 nan 8.360 nan 0.000 0.452 620 A N 0.964 123.673 122.820 -0.184 0.000 1.902 620 A HA -0.229 4.107 4.320 0.027 0.000 0.217 620 A C 2.169 179.637 177.584 -0.192 0.000 1.181 620 A CA 1.934 53.820 52.037 -0.251 0.000 0.623 620 A CB -0.633 18.213 19.000 -0.255 0.000 0.818 620 A HN 0.269 nan 8.150 nan 0.000 0.443 621 K N -1.228 119.138 120.400 -0.056 0.000 2.032 621 K HA -0.289 4.047 4.320 0.027 0.000 0.209 621 K C 2.077 178.577 176.600 -0.166 0.000 1.048 621 K CA 2.027 58.291 56.287 -0.037 0.000 0.927 621 K CB -0.355 32.280 32.500 0.225 0.000 0.712 621 K HN 0.636 nan 8.250 nan 0.000 0.441 622 H N 0.358 119.256 119.070 -0.286 0.000 2.326 622 H HA -0.027 4.546 4.556 0.028 0.000 0.301 622 H C 1.958 177.013 175.328 -0.454 0.000 1.081 622 H CA 1.781 57.466 56.048 -0.605 0.000 1.334 622 H CB 0.088 29.549 29.762 -0.502 0.000 1.385 622 H HN 0.240 nan 8.280 nan 0.000 0.504 623 Q N 0.200 119.749 119.800 -0.419 0.000 2.224 623 Q HA -0.079 4.277 4.340 0.027 0.000 0.203 623 Q C 1.547 177.012 176.000 -0.892 0.000 0.970 623 Q CA 1.123 56.596 55.803 -0.549 0.000 0.865 623 Q CB 0.067 28.641 28.738 -0.272 0.000 0.922 623 Q HN 0.699 nan 8.270 nan 0.000 0.445 624 Q N 0.142 119.364 119.800 -0.963 0.000 2.280 624 Q HA 0.073 4.430 4.340 0.027 0.000 0.202 624 Q C -0.089 175.351 176.000 -0.933 0.000 0.903 624 Q CA -0.212 54.862 55.803 -1.214 0.000 0.948 624 Q CB 0.349 28.419 28.738 -1.113 0.000 1.058 624 Q HN 0.371 nan 8.270 nan 0.000 0.493 625 Q N -0.515 118.895 119.800 -0.650 0.000 2.414 625 Q HA -0.057 4.299 4.340 0.027 0.000 0.288 625 Q C -0.147 175.501 176.000 -0.587 0.000 1.086 625 Q CA 0.472 56.029 55.803 -0.410 0.000 0.943 625 Q CB 0.432 29.016 28.738 -0.257 0.000 1.282 625 Q HN 0.307 nan 8.270 nan 0.000 0.438 626 F N 0.040 119.768 119.950 -0.369 0.000 2.695 626 F HA 0.239 4.782 4.527 0.027 0.000 0.303 626 F C -0.249 174.993 175.800 -0.931 0.000 1.091 626 F CA -0.082 57.460 58.000 -0.762 0.000 1.300 626 F CB 0.562 38.777 39.000 -1.310 0.000 1.071 626 F HN 0.282 nan 8.300 nan 0.000 0.578 627 F N 0.532 120.411 119.950 -0.119 0.000 2.507 627 F HA 0.504 5.048 4.527 0.029 0.000 0.325 627 F C -0.071 175.401 175.800 -0.547 0.000 1.116 627 F CA -1.113 56.712 58.000 -0.293 0.000 0.930 627 F CB 1.298 40.139 39.000 -0.265 0.000 1.146 627 F HN -0.297 nan 8.300 nan 0.000 0.447 628 Q N 2.920 122.470 119.800 -0.416 0.000 2.301 628 Q HA 0.605 4.962 4.340 0.027 0.000 0.267 628 Q C -1.378 174.354 176.000 -0.446 0.000 1.035 628 Q CA -0.667 54.936 55.803 -0.333 0.000 0.856 628 Q CB 2.938 31.602 28.738 -0.124 0.000 1.337 628 Q HN 0.557 nan 8.270 nan 0.000 0.450 629 F N 0.080 120.162 119.950 0.220 0.000 2.576 629 F HA 0.602 5.145 4.527 0.028 0.000 0.313 629 F C 0.171 176.207 175.800 0.394 0.000 1.078 629 F CA -0.838 57.366 58.000 0.340 0.000 0.921 629 F CB 2.112 41.448 39.000 0.560 0.000 1.232 629 F HN 0.185 nan 8.300 nan 0.000 0.459 630 R N 1.454 122.244 120.500 0.482 0.000 2.771 630 R HA 0.756 5.113 4.340 0.027 0.000 0.274 630 R C -2.030 174.299 176.300 0.049 0.000 0.987 630 R CA -1.176 55.124 56.100 0.333 0.000 0.908 630 R CB 2.855 33.257 30.300 0.170 0.000 1.213 630 R HN 0.551 nan 8.270 nan 0.000 0.468 631 L N 0.534 121.654 121.223 -0.171 0.000 2.362 631 L HA 0.599 4.955 4.340 0.027 0.000 0.275 631 L C -1.088 175.632 176.870 -0.250 0.000 0.998 631 L CA 0.067 54.609 54.840 -0.497 0.000 0.820 631 L CB 2.220 43.557 42.059 -1.203 0.000 1.270 631 L HN 0.571 nan 8.230 nan 0.000 0.415 632 S N 3.793 119.369 115.700 -0.206 0.000 2.620 632 S HA 0.684 5.170 4.470 0.027 0.000 0.244 632 S C 0.148 174.667 174.600 -0.136 0.000 1.192 632 S CA 0.288 58.411 58.200 -0.129 0.000 1.148 632 S CB 0.044 63.199 63.200 -0.075 0.000 1.106 632 S HN 1.590 nan 8.310 nan 0.000 0.474 633 G N 4.905 113.622 108.800 -0.138 0.000 2.536 633 G HA2 -0.326 3.651 3.960 0.027 0.000 0.277 633 G HA3 -0.326 3.651 3.960 0.027 0.000 0.277 633 G C 0.213 175.008 174.900 -0.175 0.000 1.155 633 G CA 0.708 45.730 45.100 -0.130 0.000 0.960 633 G HN 0.945 nan 8.290 nan 0.000 0.544 634 Q N 0.389 120.090 119.800 -0.165 0.000 2.247 634 Q HA 0.449 4.806 4.340 0.027 0.000 0.204 634 Q C 0.619 176.491 176.000 -0.213 0.000 0.872 634 Q CA 0.964 56.648 55.803 -0.199 0.000 0.951 634 Q CB 0.236 28.880 28.738 -0.158 0.000 1.099 634 Q HN 0.481 nan 8.270 nan 0.000 0.501 635 T N 1.322 115.763 114.554 -0.189 0.000 2.756 635 T HA 0.546 4.913 4.350 0.027 0.000 0.290 635 T C -0.362 174.224 174.700 -0.190 0.000 0.985 635 T CA -0.481 61.523 62.100 -0.160 0.000 0.955 635 T CB 0.622 69.427 68.868 -0.103 0.000 0.930 635 T HN 0.139 nan 8.240 nan 0.000 0.451 636 I N 3.179 123.647 120.570 -0.169 0.000 2.325 636 I HA 0.263 4.450 4.170 0.027 0.000 0.291 636 I C 0.627 176.753 176.117 0.016 0.000 1.019 636 I CA -0.349 60.879 61.300 -0.120 0.000 1.302 636 I CB 0.919 38.873 38.000 -0.076 0.000 1.401 636 I HN 0.554 nan 8.210 nan 0.000 0.485 637 E N 6.684 126.924 120.200 0.067 0.000 2.151 637 E HA 0.467 4.834 4.350 0.027 0.000 0.275 637 E C -1.561 175.140 176.600 0.168 0.000 0.936 637 E CA -0.644 55.812 56.400 0.093 0.000 0.777 637 E CB 1.591 31.329 29.700 0.064 0.000 1.108 637 E HN 0.343 nan 8.360 nan 0.000 0.401 638 V N 4.111 124.107 119.914 0.136 0.000 2.370 638 V HA 0.330 4.466 4.120 0.027 0.000 0.283 638 V C -0.072 176.051 176.094 0.049 0.000 1.023 638 V CA -0.571 61.776 62.300 0.079 0.000 0.857 638 V CB 1.674 33.580 31.823 0.137 0.000 0.985 638 V HN 0.714 nan 8.190 nan 0.000 0.443 639 T N 3.279 117.824 114.554 -0.016 0.000 2.829 639 T HA 0.370 4.736 4.350 0.027 0.000 0.280 639 T C -0.084 174.622 174.700 0.011 0.000 0.999 639 T CA -0.252 61.850 62.100 0.004 0.000 0.983 639 T CB 1.622 70.469 68.868 -0.035 0.000 0.968 639 T HN 0.686 nan 8.240 nan 0.000 0.446 640 S N 1.686 117.400 115.700 0.023 0.000 2.525 640 S HA 0.238 4.724 4.470 0.027 0.000 0.278 640 S C 0.776 175.255 174.600 -0.201 0.000 1.234 640 S CA -0.549 57.591 58.200 -0.100 0.000 1.058 640 S CB 0.627 63.841 63.200 0.024 0.000 0.983 640 S HN 0.725 nan 8.310 nan 0.000 0.495 641 E N 2.749 122.729 120.200 -0.367 0.000 2.481 641 E HA 0.085 4.451 4.350 0.027 0.000 0.198 641 E C -0.734 175.687 176.600 -0.299 0.000 1.027 641 E CA -0.096 56.124 56.400 -0.301 0.000 0.900 641 E CB 0.255 29.762 29.700 -0.323 0.000 0.993 641 E HN 0.652 nan 8.360 nan 0.000 0.482 642 Y N 0.530 120.704 120.300 -0.209 0.000 2.480 642 Y HA -0.026 4.541 4.550 0.027 0.000 0.338 642 Y C 1.406 177.137 175.900 -0.282 0.000 1.220 642 Y CA 0.431 58.407 58.100 -0.207 0.000 1.430 642 Y CB 0.588 38.909 38.460 -0.232 0.000 1.311 642 Y HN -0.051 nan 8.280 nan 0.000 0.575 643 L N 0.847 121.904 121.223 -0.276 0.000 2.408 643 L HA 0.030 4.387 4.340 0.027 0.000 0.215 643 L C 0.726 177.163 176.870 -0.721 0.000 1.081 643 L CA 0.589 55.015 54.840 -0.690 0.000 0.840 643 L CB -0.002 41.260 42.059 -1.329 0.000 1.002 643 L HN 0.553 nan 8.230 nan 0.000 0.468 644 F N -0.578 119.384 119.950 0.020 0.000 2.640 644 F HA 0.208 4.750 4.527 0.026 0.000 0.285 644 F C 1.327 177.114 175.800 -0.023 0.000 1.031 644 F CA -0.716 57.273 58.000 -0.019 0.000 1.240 644 F CB 0.025 38.997 39.000 -0.047 0.000 1.011 644 F HN -0.134 nan 8.300 nan 0.000 0.656 645 R N 0.257 120.805 120.500 0.081 0.000 2.573 645 R HA 0.388 4.745 4.340 0.027 0.000 0.272 645 R C -0.491 175.806 176.300 -0.005 0.000 1.009 645 R CA -0.547 55.554 56.100 0.000 0.000 1.059 645 R CB 0.656 30.844 30.300 -0.186 0.000 1.112 645 R HN 0.124 nan 8.270 nan 0.000 0.517 646 H N 0.174 119.235 119.070 -0.015 0.000 2.495 646 H HA 0.080 4.652 4.556 0.028 0.000 0.350 646 H C 0.118 175.467 175.328 0.034 0.000 1.202 646 H CA -0.071 55.999 56.048 0.036 0.000 1.322 646 H CB 1.751 31.540 29.762 0.045 0.000 1.544 646 H HN 0.767 nan 8.280 nan 0.000 0.565 647 S N 0.916 116.757 115.700 0.236 0.000 4.175 647 S HA -0.053 4.433 4.470 0.027 0.000 0.193 647 S C 0.267 174.965 174.600 0.164 0.000 1.373 647 S CA -0.651 57.695 58.200 0.244 0.000 0.908 647 S CB -0.820 62.581 63.200 0.334 0.000 1.547 647 S HN 0.573 nan 8.310 nan 0.000 0.440 648 D N 0.728 121.198 120.400 0.116 0.000 2.336 648 D HA 0.080 4.736 4.640 0.027 0.000 0.228 648 D C 0.257 176.592 176.300 0.059 0.000 1.120 648 D CA -0.324 53.725 54.000 0.081 0.000 0.839 648 D CB -0.359 40.476 40.800 0.057 0.000 0.932 648 D HN 0.482 nan 8.370 nan 0.000 0.509 649 N N 0.141 118.884 118.700 0.073 0.000 2.620 649 N HA 0.149 4.905 4.740 0.027 0.000 0.277 649 N C -1.574 173.986 175.510 0.083 0.000 1.726 649 N CA -0.156 52.930 53.050 0.060 0.000 0.840 649 N CB 0.315 38.828 38.487 0.042 0.000 1.379 649 N HN -0.039 nan 8.380 nan 0.000 0.506 650 E N -0.234 120.009 120.200 0.073 0.000 2.352 650 E HA 0.572 4.938 4.350 0.027 0.000 0.280 650 E C -1.484 175.138 176.600 0.037 0.000 0.930 650 E CA -0.692 55.738 56.400 0.050 0.000 0.765 650 E CB 1.879 31.586 29.700 0.011 0.000 1.219 650 E HN 0.245 nan 8.360 nan 0.000 0.434 651 L N -0.442 120.801 121.223 0.033 0.000 2.376 651 L HA 0.738 5.094 4.340 0.027 0.000 0.258 651 L C -1.471 175.458 176.870 0.099 0.000 1.013 651 L CA -1.095 53.796 54.840 0.085 0.000 0.822 651 L CB 0.858 43.003 42.059 0.142 0.000 1.388 651 L HN 0.489 nan 8.230 nan 0.000 0.413 652 L N 1.446 122.776 121.223 0.179 0.000 2.272 652 L HA 0.625 4.981 4.340 0.027 0.000 0.289 652 L C -0.968 176.129 176.870 0.378 0.000 1.032 652 L CA 0.119 55.102 54.840 0.237 0.000 0.810 652 L CB 0.468 42.675 42.059 0.248 0.000 1.205 652 L HN 0.571 nan 8.230 nan 0.000 0.422 653 H N 5.130 124.284 119.070 0.140 0.000 2.467 653 H HA 0.486 5.059 4.556 0.028 0.000 0.326 653 H C -1.023 174.392 175.328 0.146 0.000 1.094 653 H CA -0.620 55.469 56.048 0.067 0.000 1.253 653 H CB 0.734 30.491 29.762 -0.008 0.000 1.439 653 H HN 0.602 nan 8.280 nan 0.000 0.479 654 W N 3.847 125.233 121.300 0.143 0.000 2.844 654 W HA 0.607 5.283 4.660 0.027 0.000 0.340 654 W C -1.660 174.906 176.519 0.078 0.000 1.093 654 W CA -1.330 56.081 57.345 0.110 0.000 1.212 654 W CB 1.394 30.907 29.460 0.088 0.000 1.422 654 W HN 0.490 nan 8.180 nan 0.000 0.515 655 M N 3.766 123.528 119.600 0.270 0.000 2.324 655 M HA 0.589 5.085 4.480 0.027 0.000 0.288 655 M C -2.466 174.013 176.300 0.299 0.000 1.097 655 M CA -1.081 54.273 55.300 0.091 0.000 0.928 655 M CB 1.800 34.395 32.600 -0.009 0.000 1.648 655 M HN 0.205 nan 8.290 nan 0.000 0.460 656 V N 4.135 124.223 119.914 0.291 0.000 2.448 656 V HA 1.011 5.147 4.120 0.027 0.000 0.295 656 V C -0.379 175.823 176.094 0.181 0.000 1.025 656 V CA -0.312 62.160 62.300 0.287 0.000 0.859 656 V CB 1.163 33.179 31.823 0.322 0.000 0.988 656 V HN 1.074 nan 8.190 nan 0.000 0.431 657 A N 4.463 127.398 122.820 0.192 0.000 2.475 657 A HA 0.887 5.223 4.320 0.027 0.000 0.301 657 A C -1.397 176.301 177.584 0.190 0.000 1.059 657 A CA -0.630 51.487 52.037 0.133 0.000 0.710 657 A CB 1.723 20.763 19.000 0.067 0.000 1.288 657 A HN 0.874 nan 8.150 nan 0.000 0.408 658 L N 1.538 122.843 121.223 0.136 0.000 2.265 658 L HA 0.519 4.875 4.340 0.027 0.000 0.289 658 L C -0.562 176.404 176.870 0.159 0.000 1.033 658 L CA 0.237 55.171 54.840 0.157 0.000 0.814 658 L CB 0.337 42.457 42.059 0.100 0.000 1.203 658 L HN 0.757 nan 8.230 nan 0.000 0.423 659 D N 4.707 125.269 120.400 0.269 0.000 2.692 659 D HA -0.217 4.439 4.640 0.027 0.000 0.233 659 D C 1.183 177.527 176.300 0.073 0.000 1.172 659 D CA 1.470 55.621 54.000 0.252 0.000 0.636 659 D CB -1.152 39.763 40.800 0.192 0.000 1.028 659 D HN 1.189 nan 8.370 nan 0.000 0.419 660 G N -0.810 107.993 108.800 0.005 0.000 2.234 660 G HA2 -0.388 3.588 3.960 0.027 0.000 0.260 660 G HA3 -0.388 3.588 3.960 0.027 0.000 0.260 660 G C 0.324 175.139 174.900 -0.142 0.000 0.987 660 G CA 0.588 45.572 45.100 -0.193 0.000 0.625 660 G HN 0.497 nan 8.290 nan 0.000 0.532 661 K N 1.905 122.275 120.400 -0.050 0.000 2.262 661 K HA 0.462 4.799 4.320 0.027 0.000 0.282 661 K C -2.531 174.056 176.600 -0.022 0.000 1.066 661 K CA -1.876 54.385 56.287 -0.043 0.000 0.901 661 K CB 1.512 34.007 32.500 -0.010 0.000 1.089 661 K HN 0.053 nan 8.250 nan 0.000 0.476 662 P HA -0.011 nan 4.420 nan 0.000 0.267 662 P C -0.027 177.267 177.300 -0.009 0.000 1.209 662 P CA 0.030 63.110 63.100 -0.035 0.000 0.763 662 P CB 0.749 32.407 31.700 -0.070 0.000 0.816 663 L N 1.728 122.964 121.223 0.022 0.000 2.526 663 L HA 0.461 4.817 4.340 0.027 0.000 0.210 663 L C 0.821 177.716 176.870 0.042 0.000 1.048 663 L CA 0.642 55.507 54.840 0.041 0.000 0.852 663 L CB 0.171 42.278 42.059 0.078 0.000 1.128 663 L HN 0.414 nan 8.230 nan 0.000 0.482 664 A N -0.732 122.117 122.820 0.048 0.000 2.601 664 A HA 0.623 4.959 4.320 0.027 0.000 0.291 664 A C -1.000 176.457 177.584 -0.212 0.000 1.075 664 A CA 0.130 52.173 52.037 0.011 0.000 0.671 664 A CB 1.623 20.755 19.000 0.219 0.000 1.277 664 A HN 0.138 nan 8.150 nan 0.000 0.417 665 S N -0.907 114.426 115.700 -0.611 0.000 2.611 665 S HA 0.952 5.438 4.470 0.027 0.000 0.268 665 S C -0.262 173.428 174.600 -1.517 0.000 1.156 665 S CA -0.075 57.317 58.200 -1.346 0.000 0.817 665 S CB 1.019 63.797 63.200 -0.704 0.000 1.122 665 S HN 2.611 nan 8.310 nan 0.000 0.466 666 G N -0.350 107.288 108.800 -1.937 0.000 2.548 666 G HA2 0.635 4.612 3.960 0.027 0.000 0.301 666 G HA3 0.635 4.612 3.960 0.027 0.000 0.301 666 G C -2.244 172.287 174.900 -0.615 0.000 1.349 666 G CA -0.705 43.838 45.100 -0.927 0.000 0.792 666 G HN 0.782 nan 8.290 nan 0.000 0.481 667 E N -1.375 118.749 120.200 -0.126 0.000 2.340 667 E HA 0.641 5.008 4.350 0.027 0.000 0.273 667 E C -1.431 175.285 176.600 0.195 0.000 0.891 667 E CA -0.722 55.695 56.400 0.029 0.000 0.757 667 E CB 3.223 32.866 29.700 -0.095 0.000 1.231 667 E HN 0.307 nan 8.360 nan 0.000 0.439 668 V N 3.364 123.420 119.914 0.236 0.000 2.733 668 V HA 0.370 4.507 4.120 0.027 0.000 0.306 668 V C -2.471 173.716 176.094 0.155 0.000 1.084 668 V CA -1.951 60.462 62.300 0.189 0.000 0.905 668 V CB 2.076 34.028 31.823 0.214 0.000 1.010 668 V HN 0.579 nan 8.190 nan 0.000 0.424 669 P HA 0.264 nan 4.420 nan 0.000 0.271 669 P C -0.896 176.460 177.300 0.094 0.000 1.216 669 P CA -0.008 63.151 63.100 0.099 0.000 0.776 669 P CB 0.649 32.397 31.700 0.080 0.000 0.881 670 L N 2.974 124.245 121.223 0.079 0.000 2.296 670 L HA 0.382 4.739 4.340 0.027 0.000 0.286 670 L C 0.215 177.143 176.870 0.096 0.000 1.023 670 L CA -0.191 54.691 54.840 0.070 0.000 0.812 670 L CB 1.330 43.389 42.059 0.001 0.000 1.223 670 L HN 0.318 nan 8.230 nan 0.000 0.421 671 D N 3.483 123.953 120.400 0.116 0.000 2.400 671 D HA 0.341 4.997 4.640 0.027 0.000 0.272 671 D C -1.286 175.123 176.300 0.182 0.000 1.220 671 D CA -0.180 53.913 54.000 0.155 0.000 0.897 671 D CB 1.096 41.971 40.800 0.126 0.000 1.134 671 D HN 0.046 nan 8.370 nan 0.000 0.507 672 V N 1.830 121.861 119.914 0.195 0.000 2.448 672 V HA 0.829 4.966 4.120 0.027 0.000 0.295 672 V C 0.928 176.998 176.094 -0.040 0.000 1.025 672 V CA -1.151 61.230 62.300 0.135 0.000 0.859 672 V CB 1.098 33.048 31.823 0.213 0.000 0.988 672 V HN 0.579 nan 8.190 nan 0.000 0.431 673 A N 7.087 129.772 122.820 -0.226 0.000 2.327 673 A HA 0.674 5.010 4.320 0.027 0.000 0.255 673 A C -2.255 175.125 177.584 -0.340 0.000 1.099 673 A CA -1.366 50.208 52.037 -0.771 0.000 0.801 673 A CB -0.206 18.511 19.000 -0.473 0.000 1.062 673 A HN 0.680 nan 8.150 nan 0.000 0.496 674 P HA 0.057 nan 4.420 nan 0.000 0.267 674 P C -0.587 176.643 177.300 -0.116 0.000 1.209 674 P CA 0.555 63.575 63.100 -0.133 0.000 0.763 674 P CB 0.790 32.421 31.700 -0.114 0.000 0.816 675 Q N -0.796 118.946 119.800 -0.096 0.000 2.324 675 Q HA -0.151 4.206 4.340 0.027 0.000 0.200 675 Q C 0.726 176.692 176.000 -0.056 0.000 0.645 675 Q CA 1.796 57.548 55.803 -0.085 0.000 1.377 675 Q CB -2.517 26.168 28.738 -0.088 0.000 1.486 675 Q HN 0.745 nan 8.270 nan 0.000 0.796 676 G N 0.172 108.944 108.800 -0.048 0.000 2.557 676 G HA2 0.601 4.578 3.960 0.027 0.000 0.302 676 G HA3 0.601 4.578 3.960 0.027 0.000 0.302 676 G C -0.278 174.629 174.900 0.012 0.000 1.311 676 G CA -0.567 44.521 45.100 -0.019 0.000 1.030 676 G HN -0.012 nan 8.290 nan 0.000 0.509 677 K N -0.795 119.621 120.400 0.027 0.000 2.395 677 K HA 0.496 4.832 4.320 0.027 0.000 0.247 677 K C -1.021 175.613 176.600 0.057 0.000 0.973 677 K CA -0.666 55.646 56.287 0.043 0.000 0.828 677 K CB 2.612 35.131 32.500 0.031 0.000 1.272 677 K HN 0.522 nan 8.250 nan 0.000 0.439 678 Q N 2.054 121.896 119.800 0.069 0.000 2.331 678 Q HA 0.417 4.774 4.340 0.027 0.000 0.272 678 Q C -1.660 174.377 176.000 0.062 0.000 1.062 678 Q CA -0.675 55.171 55.803 0.070 0.000 0.806 678 Q CB 1.545 30.336 28.738 0.088 0.000 1.312 678 Q HN 0.519 nan 8.270 nan 0.000 0.431 679 L N 4.961 126.210 121.223 0.043 0.000 2.282 679 L HA 0.558 4.914 4.340 0.027 0.000 0.288 679 L C -0.592 176.288 176.870 0.016 0.000 1.033 679 L CA -0.648 54.206 54.840 0.025 0.000 0.807 679 L CB 1.307 43.371 42.059 0.009 0.000 1.209 679 L HN 0.611 nan 8.230 nan 0.000 0.423 680 I N 3.048 123.618 120.570 -0.000 0.000 2.436 680 I HA 0.262 4.449 4.170 0.027 0.000 0.289 680 I C -0.135 175.934 176.117 -0.080 0.000 1.010 680 I CA -0.386 60.903 61.300 -0.019 0.000 1.098 680 I CB 2.204 40.206 38.000 0.002 0.000 1.266 680 I HN 0.573 nan 8.210 nan 0.000 0.434 681 E N 6.715 126.864 120.200 -0.084 0.000 2.134 681 E HA 0.451 4.817 4.350 0.027 0.000 0.278 681 E C -0.981 175.501 176.600 -0.196 0.000 0.959 681 E CA -0.651 55.674 56.400 -0.125 0.000 0.783 681 E CB 1.419 31.069 29.700 -0.084 0.000 1.095 681 E HN 0.452 nan 8.360 nan 0.000 0.399 682 L N 5.086 126.135 121.223 -0.289 0.000 2.439 682 L HA 0.357 4.713 4.340 0.027 0.000 0.261 682 L C -1.883 174.819 176.870 -0.279 0.000 1.153 682 L CA -1.919 52.659 54.840 -0.437 0.000 0.808 682 L CB 0.094 41.766 42.059 -0.645 0.000 1.126 682 L HN 0.374 nan 8.230 nan 0.000 0.460 683 P HA 0.055 nan 4.420 nan 0.000 0.274 683 P C -0.767 176.472 177.300 -0.103 0.000 1.237 683 P CA -0.536 62.499 63.100 -0.108 0.000 0.793 683 P CB 0.493 32.190 31.700 -0.006 0.000 0.977 684 E N 1.778 121.947 120.200 -0.051 0.000 2.413 684 E HA 0.045 4.412 4.350 0.027 0.000 0.263 684 E C -1.161 175.435 176.600 -0.007 0.000 1.015 684 E CA -0.047 56.330 56.400 -0.037 0.000 0.916 684 E CB 0.124 29.812 29.700 -0.019 0.000 0.947 684 E HN 0.242 nan 8.360 nan 0.000 0.440 685 L N 5.210 126.430 121.223 -0.005 0.000 2.313 685 L HA 0.411 4.767 4.340 0.027 0.000 0.283 685 L C -2.174 174.711 176.870 0.024 0.000 1.013 685 L CA -2.130 52.729 54.840 0.031 0.000 0.816 685 L CB 1.123 43.216 42.059 0.057 0.000 1.236 685 L HN 0.468 nan 8.230 nan 0.000 0.419 686 P HA 0.087 nan 4.420 nan 0.000 0.264 686 P C -0.592 176.723 177.300 0.025 0.000 1.193 686 P CA -0.332 62.783 63.100 0.025 0.000 0.763 686 P CB 0.439 32.155 31.700 0.028 0.000 0.810 687 Q N 4.036 123.846 119.800 0.017 0.000 2.283 687 Q HA 0.065 4.421 4.340 0.027 0.000 0.301 687 Q C -1.668 174.346 176.000 0.023 0.000 1.063 687 Q CA -0.568 55.245 55.803 0.017 0.000 0.952 687 Q CB -0.404 28.341 28.738 0.011 0.000 1.166 687 Q HN 0.385 nan 8.270 nan 0.000 0.381 688 P HA -0.063 nan 4.420 nan 0.000 0.269 688 P C -0.377 176.939 177.300 0.027 0.000 1.215 688 P CA 0.071 63.191 63.100 0.033 0.000 0.780 688 P CB 0.788 32.512 31.700 0.040 0.000 0.898 689 E N 0.841 121.057 120.200 0.027 0.000 2.000 689 E HA -0.089 4.277 4.350 0.027 0.000 0.199 689 E C 0.619 177.234 176.600 0.025 0.000 1.011 689 E CA 1.180 57.594 56.400 0.023 0.000 0.836 689 E CB -0.585 29.127 29.700 0.021 0.000 0.778 689 E HN 0.542 nan 8.360 nan 0.000 0.462 690 S N 0.892 116.610 115.700 0.029 0.000 2.655 690 S HA 0.491 4.977 4.470 0.027 0.000 0.265 690 S C 0.158 174.779 174.600 0.036 0.000 1.240 690 S CA -0.655 57.564 58.200 0.032 0.000 0.986 690 S CB 1.163 64.385 63.200 0.036 0.000 0.985 690 S HN 0.422 nan 8.310 nan 0.000 0.562 691 A N -0.008 122.834 122.820 0.038 0.000 2.346 691 A HA 0.725 5.061 4.320 0.027 0.000 0.252 691 A C 0.871 178.487 177.584 0.055 0.000 1.089 691 A CA 0.305 52.367 52.037 0.041 0.000 0.797 691 A CB -0.651 18.374 19.000 0.041 0.000 1.047 691 A HN 1.888 nan 8.150 nan 0.000 0.494 692 G N -0.893 107.941 108.800 0.056 0.000 2.346 692 G HA2 0.424 4.400 3.960 0.027 0.000 0.294 692 G HA3 0.424 4.400 3.960 0.027 0.000 0.294 692 G C -1.179 173.759 174.900 0.063 0.000 1.294 692 G CA -0.157 44.989 45.100 0.078 0.000 0.962 692 G HN 1.110 nan 8.290 nan 0.000 0.508 693 Q N -0.110 119.748 119.800 0.097 0.000 2.290 693 Q HA 0.726 5.083 4.340 0.027 0.000 0.259 693 Q C -0.283 175.783 176.000 0.110 0.000 0.941 693 Q CA -0.528 55.295 55.803 0.033 0.000 0.912 693 Q CB 1.225 29.966 28.738 0.004 0.000 1.244 693 Q HN 0.568 nan 8.270 nan 0.000 0.441 694 L N 4.252 125.479 121.223 0.007 0.000 2.326 694 L HA 0.446 4.802 4.340 0.027 0.000 0.278 694 L C -0.754 176.131 176.870 0.026 0.000 1.092 694 L CA -0.369 54.520 54.840 0.082 0.000 0.810 694 L CB 0.690 42.775 42.059 0.044 0.000 1.153 694 L HN 0.668 nan 8.230 nan 0.000 0.439 695 W N 4.184 125.545 121.300 0.102 0.000 2.702 695 W HA 0.504 5.180 4.660 0.027 0.000 0.331 695 W C -0.808 175.819 176.519 0.179 0.000 1.049 695 W CA -0.541 56.887 57.345 0.139 0.000 1.230 695 W CB 1.743 31.304 29.460 0.168 0.000 1.408 695 W HN 0.124 nan 8.180 nan 0.000 0.492 696 L N 3.316 124.824 121.223 0.475 0.000 2.296 696 L HA 0.734 5.091 4.340 0.027 0.000 0.286 696 L C -0.370 176.809 176.870 0.515 0.000 1.023 696 L CA 0.099 55.206 54.840 0.446 0.000 0.812 696 L CB 1.295 43.586 42.059 0.386 0.000 1.223 696 L HN 0.309 nan 8.230 nan 0.000 0.421 697 T N 5.169 119.968 114.554 0.409 0.000 2.824 697 T HA 0.663 5.030 4.350 0.027 0.000 0.282 697 T C -0.698 174.193 174.700 0.318 0.000 0.993 697 T CA -0.430 61.865 62.100 0.325 0.000 0.967 697 T CB 1.473 70.468 68.868 0.213 0.000 0.960 697 T HN 0.600 nan 8.240 nan 0.000 0.441 698 V N 1.783 121.859 119.914 0.270 0.000 2.769 698 V HA 0.851 4.988 4.120 0.027 0.000 0.312 698 V C -0.707 175.471 176.094 0.139 0.000 1.061 698 V CA -1.164 61.266 62.300 0.216 0.000 0.931 698 V CB 1.938 33.856 31.823 0.159 0.000 1.010 698 V HN 0.798 nan 8.190 nan 0.000 0.433 699 R N 2.119 122.721 120.500 0.171 0.000 2.744 699 R HA 0.785 5.142 4.340 0.027 0.000 0.279 699 R C -1.550 174.844 176.300 0.156 0.000 0.977 699 R CA -0.738 55.472 56.100 0.184 0.000 0.906 699 R CB 2.683 33.051 30.300 0.113 0.000 1.197 699 R HN 0.712 nan 8.270 nan 0.000 0.463 700 V N 3.427 123.464 119.914 0.206 0.000 2.407 700 V HA 0.359 4.495 4.120 0.027 0.000 0.278 700 V C -0.310 175.817 176.094 0.056 0.000 1.037 700 V CA -0.550 61.821 62.300 0.119 0.000 0.900 700 V CB 1.572 33.469 31.823 0.124 0.000 0.983 700 V HN 0.425 nan 8.190 nan 0.000 0.459 701 V N 5.199 125.082 119.914 -0.052 0.000 2.555 701 V HA 0.400 4.537 4.120 0.027 0.000 0.302 701 V C -0.210 175.877 176.094 -0.012 0.000 1.038 701 V CA -0.750 61.486 62.300 -0.106 0.000 0.887 701 V CB 1.958 33.549 31.823 -0.386 0.000 0.991 701 V HN 0.885 nan 8.190 nan 0.000 0.434 702 Q N 5.498 125.329 119.800 0.052 0.000 2.360 702 Q HA 0.275 4.631 4.340 0.027 0.000 0.254 702 Q C -1.799 174.214 176.000 0.021 0.000 0.975 702 Q CA -1.742 54.101 55.803 0.066 0.000 0.912 702 Q CB 1.886 30.689 28.738 0.110 0.000 1.212 702 Q HN 0.475 nan 8.270 nan 0.000 0.452 703 P HA -0.118 nan 4.420 nan 0.000 0.222 703 P C -0.569 176.730 177.300 -0.002 0.000 1.153 703 P CA 0.983 64.091 63.100 0.014 0.000 0.798 703 P CB 0.444 32.163 31.700 0.031 0.000 0.796 704 N N -0.636 118.054 118.700 -0.016 0.000 2.417 704 N HA 0.474 5.230 4.740 0.027 0.000 0.300 704 N C -0.422 175.036 175.510 -0.086 0.000 1.102 704 N CA -0.736 52.291 53.050 -0.038 0.000 0.886 704 N CB 1.175 39.643 38.487 -0.032 0.000 1.203 704 N HN -0.099 nan 8.380 nan 0.000 0.496 705 A N 0.754 123.517 122.820 -0.095 0.000 2.466 705 A HA 0.406 4.742 4.320 0.027 0.000 0.238 705 A C 0.577 178.040 177.584 -0.202 0.000 1.074 705 A CA 0.086 52.030 52.037 -0.154 0.000 0.774 705 A CB -0.058 18.879 19.000 -0.105 0.000 1.015 705 A HN 0.697 nan 8.150 nan 0.000 0.498 706 T N -2.849 111.498 114.554 -0.344 0.000 2.773 706 T HA 0.632 4.999 4.350 0.027 0.000 0.278 706 T C 0.937 175.475 174.700 -0.269 0.000 1.011 706 T CA 0.023 61.899 62.100 -0.372 0.000 1.014 706 T CB 1.185 69.588 68.868 -0.775 0.000 1.293 706 T HN 1.374 nan 8.240 nan 0.000 0.554 707 A N -0.076 122.681 122.820 -0.105 0.000 2.121 707 A HA 0.111 4.448 4.320 0.027 0.000 0.218 707 A C 1.627 179.334 177.584 0.204 0.000 1.154 707 A CA 0.996 53.077 52.037 0.073 0.000 0.679 707 A CB -0.878 18.214 19.000 0.154 0.000 0.795 707 A HN 0.910 nan 8.150 nan 0.000 0.458 708 W N -0.677 120.682 121.300 0.100 0.000 2.870 708 W HA 0.409 5.086 4.660 0.029 0.000 0.358 708 W C -0.206 176.279 176.519 -0.057 0.000 1.043 708 W CA 0.472 57.845 57.345 0.047 0.000 1.692 708 W CB -1.043 28.432 29.460 0.025 0.000 1.100 708 W HN 0.379 nan 8.180 nan 0.000 0.557 709 S N 0.094 115.384 115.700 -0.683 0.000 2.579 709 S HA 0.446 4.932 4.470 0.027 0.000 0.272 709 S C -0.727 173.654 174.600 -0.365 0.000 1.141 709 S CA -0.793 57.024 58.200 -0.638 0.000 0.843 709 S CB 2.722 65.147 63.200 -1.292 0.000 1.122 709 S HN 0.089 nan 8.310 nan 0.000 0.468 710 E N 0.533 120.627 120.200 -0.176 0.000 2.318 710 E HA 0.551 4.917 4.350 0.027 0.000 0.265 710 E C 0.244 176.805 176.600 -0.064 0.000 1.069 710 E CA -0.754 55.596 56.400 -0.084 0.000 0.893 710 E CB 1.325 31.020 29.700 -0.009 0.000 1.076 710 E HN 0.862 nan 8.360 nan 0.000 0.414 711 A N 0.383 123.174 122.820 -0.047 0.000 2.498 711 A HA 0.383 4.720 4.320 0.027 0.000 0.239 711 A C 1.160 178.748 177.584 0.006 0.000 1.068 711 A CA 0.844 52.865 52.037 -0.027 0.000 0.766 711 A CB -0.336 18.653 19.000 -0.018 0.000 1.003 711 A HN 0.799 nan 8.150 nan 0.000 0.497 712 G N 0.266 109.075 108.800 0.014 0.000 2.195 712 G HA2 -0.244 3.732 3.960 0.027 0.000 0.246 712 G HA3 -0.244 3.732 3.960 0.027 0.000 0.246 712 G C 0.274 175.193 174.900 0.030 0.000 0.984 712 G CA 0.687 45.793 45.100 0.011 0.000 0.633 712 G HN 1.737 nan 8.290 nan 0.000 0.525 713 H N 0.784 119.838 119.070 -0.026 0.000 3.001 713 H HA 0.457 5.030 4.556 0.027 0.000 0.334 713 H C 0.667 176.035 175.328 0.066 0.000 1.034 713 H CA 0.427 56.487 56.048 0.020 0.000 1.420 713 H CB 0.181 29.936 29.762 -0.013 0.000 1.405 713 H HN 0.300 nan 8.280 nan 0.000 0.593 714 I N 4.550 124.836 120.570 -0.473 0.000 2.315 714 I HA 0.049 4.235 4.170 0.027 0.000 0.291 714 I C 0.845 176.817 176.117 -0.240 0.000 1.006 714 I CA 0.007 61.171 61.300 -0.227 0.000 1.265 714 I CB 1.538 39.472 38.000 -0.109 0.000 1.387 714 I HN 0.786 nan 8.210 nan 0.000 0.475 715 S N 4.194 119.972 115.700 0.129 0.000 2.511 715 S HA 0.563 5.050 4.470 0.027 0.000 0.214 715 S C 0.428 175.298 174.600 0.449 0.000 0.997 715 S CA -0.050 58.374 58.200 0.374 0.000 0.908 715 S CB 0.578 64.114 63.200 0.560 0.000 0.803 715 S HN 0.701 nan 8.310 nan 0.000 0.504 716 A N 0.513 123.625 122.820 0.487 0.000 2.605 716 A HA 0.653 4.990 4.320 0.027 0.000 0.294 716 A C -1.729 176.202 177.584 0.579 0.000 1.062 716 A CA -0.898 51.404 52.037 0.442 0.000 0.682 716 A CB 0.397 19.733 19.000 0.561 0.000 1.278 716 A HN 0.908 nan 8.150 nan 0.000 0.410 717 W N 0.063 121.535 121.300 0.287 0.000 3.025 717 W HA 0.833 5.510 4.660 0.029 0.000 0.343 717 W C -1.144 175.396 176.519 0.036 0.000 1.246 717 W CA -0.661 56.729 57.345 0.075 0.000 1.178 717 W CB 1.216 30.695 29.460 0.031 0.000 1.463 717 W HN 1.038 nan 8.180 nan 0.000 0.578 718 Q N 0.899 120.717 119.800 0.029 0.000 2.594 718 Q HA 0.394 4.751 4.340 0.027 0.000 0.278 718 Q C -1.629 174.198 176.000 -0.289 0.000 0.961 718 Q CA -0.453 55.216 55.803 -0.223 0.000 0.844 718 Q CB 2.197 30.596 28.738 -0.565 0.000 1.475 718 Q HN 0.643 nan 8.270 nan 0.000 0.389 719 Q N 1.152 120.729 119.800 -0.372 0.000 2.484 719 Q HA 0.678 5.034 4.340 0.027 0.000 0.285 719 Q C -1.095 174.737 176.000 -0.279 0.000 1.097 719 Q CA -0.737 55.035 55.803 -0.052 0.000 0.802 719 Q CB 2.469 31.386 28.738 0.298 0.000 1.444 719 Q HN 0.602 nan 8.270 nan 0.000 0.429 720 W N 0.578 122.032 121.300 0.257 0.000 3.167 720 W HA 0.438 5.114 4.660 0.027 0.000 0.324 720 W C -0.470 175.960 176.519 -0.147 0.000 1.230 720 W CA -0.675 56.714 57.345 0.074 0.000 1.184 720 W CB 1.735 31.210 29.460 0.024 0.000 1.414 720 W HN 0.422 nan 8.180 nan 0.000 0.551 721 R N 1.608 121.958 120.500 -0.249 0.000 2.390 721 R HA 0.454 4.810 4.340 0.027 0.000 0.291 721 R C 0.504 176.665 176.300 -0.232 0.000 1.070 721 R CA -0.156 55.556 56.100 -0.647 0.000 1.014 721 R CB 1.082 30.956 30.300 -0.711 0.000 1.007 721 R HN 0.289 nan 8.270 nan 0.000 0.466 722 L N 1.318 122.417 121.223 -0.206 0.000 2.793 722 L HA 0.505 4.862 4.340 0.027 0.000 0.188 722 L C 0.623 177.420 176.870 -0.122 0.000 1.949 722 L CA -0.993 53.785 54.840 -0.103 0.000 2.556 722 L CB -0.075 41.963 42.059 -0.035 0.000 2.898 722 L HN 0.597 nan 8.230 nan 0.000 0.621 723 A N 0.319 123.093 122.820 -0.075 0.000 2.445 723 A HA 0.183 4.520 4.320 0.027 0.000 0.242 723 A C -0.283 177.259 177.584 -0.071 0.000 1.075 723 A CA 0.197 52.195 52.037 -0.064 0.000 0.777 723 A CB 0.104 19.083 19.000 -0.036 0.000 1.013 723 A HN 0.616 nan 8.150 nan 0.000 0.493 724 E N 1.082 121.244 120.200 -0.063 0.000 2.210 724 E HA 0.327 4.694 4.350 0.027 0.000 0.266 724 E C -1.367 175.222 176.600 -0.019 0.000 0.883 724 E CA -0.681 55.690 56.400 -0.049 0.000 0.761 724 E CB 0.855 30.518 29.700 -0.062 0.000 1.156 724 E HN 0.685 nan 8.360 nan 0.000 0.412 725 N N 4.998 123.698 118.700 0.001 0.000 2.569 725 N HA 0.263 5.019 4.740 0.027 0.000 0.254 725 N C -0.676 174.845 175.510 0.018 0.000 1.004 725 N CA -0.353 52.702 53.050 0.009 0.000 0.904 725 N CB 1.191 39.687 38.487 0.014 0.000 1.165 725 N HN 0.483 nan 8.380 nan 0.000 0.513 726 L N 0.822 122.055 121.223 0.017 0.000 2.456 726 L HA 0.096 4.453 4.340 0.027 0.000 0.272 726 L C 1.313 178.201 176.870 0.030 0.000 1.189 726 L CA 0.124 54.980 54.840 0.026 0.000 0.846 726 L CB 0.495 42.568 42.059 0.023 0.000 1.111 726 L HN 0.354 nan 8.230 nan 0.000 0.475 727 S N 1.697 117.420 115.700 0.038 0.000 2.488 727 S HA 0.199 4.686 4.470 0.027 0.000 0.278 727 S C 0.625 175.246 174.600 0.035 0.000 1.259 727 S CA -0.758 57.465 58.200 0.038 0.000 1.061 727 S CB 0.551 63.779 63.200 0.046 0.000 0.910 727 S HN 0.471 nan 8.310 nan 0.000 0.491 728 V N 2.388 122.319 119.914 0.030 0.000 3.380 728 V HA 0.353 4.489 4.120 0.027 0.000 0.307 728 V C 0.597 176.706 176.094 0.026 0.000 1.434 728 V CA 0.066 62.382 62.300 0.026 0.000 1.075 728 V CB -0.522 31.314 31.823 0.022 0.000 0.954 728 V HN 0.827 nan 8.190 nan 0.000 0.444 729 T N 1.014 115.585 114.554 0.028 0.000 2.799 729 T HA 0.720 5.087 4.350 0.027 0.000 0.286 729 T C -0.248 174.469 174.700 0.028 0.000 0.973 729 T CA -0.597 61.519 62.100 0.026 0.000 1.035 729 T CB 1.361 70.244 68.868 0.025 0.000 0.932 729 T HN 0.301 nan 8.240 nan 0.000 0.469 730 L N 3.629 124.867 121.223 0.025 0.000 2.499 730 L HA 0.398 4.754 4.340 0.027 0.000 0.273 730 L C -1.843 175.042 176.870 0.025 0.000 1.195 730 L CA -1.406 53.449 54.840 0.025 0.000 0.882 730 L CB -1.238 40.834 42.059 0.022 0.000 1.133 730 L HN 0.462 nan 8.230 nan 0.000 0.483 731 P HA 0.289 nan 4.420 nan 0.000 0.274 731 P C -0.635 176.677 177.300 0.019 0.000 1.231 731 P CA -0.581 62.532 63.100 0.022 0.000 0.790 731 P CB 0.717 32.429 31.700 0.020 0.000 0.951 732 A N 1.944 124.774 122.820 0.016 0.000 2.515 732 A HA 0.409 4.745 4.320 0.027 0.000 0.263 732 A C 0.744 178.333 177.584 0.008 0.000 1.096 732 A CA -0.080 51.970 52.037 0.021 0.000 0.769 732 A CB -0.859 18.153 19.000 0.021 0.000 1.040 732 A HN 0.640 nan 8.150 nan 0.000 0.505 733 A N 4.144 126.983 122.820 0.031 0.000 2.522 733 A HA 0.443 4.779 4.320 0.027 0.000 0.256 733 A C 0.990 178.597 177.584 0.038 0.000 1.086 733 A CA 0.081 52.138 52.037 0.032 0.000 0.763 733 A CB -0.514 18.512 19.000 0.043 0.000 1.024 733 A HN 1.334 nan 8.150 nan 0.000 0.502 734 S N 2.348 118.049 115.700 0.002 0.000 3.129 734 S HA -0.127 4.359 4.470 0.027 0.000 0.371 734 S C 0.783 175.425 174.600 0.071 0.000 1.196 734 S CA 0.871 59.062 58.200 -0.015 0.000 0.989 734 S CB -0.306 62.897 63.200 0.004 0.000 0.695 734 S HN 0.819 nan 8.310 nan 0.000 0.499 735 H N 0.763 119.849 119.070 0.026 0.000 2.547 735 H HA 0.338 4.911 4.556 0.028 0.000 0.272 735 H C 0.911 176.253 175.328 0.024 0.000 0.989 735 H CA 0.313 56.374 56.048 0.023 0.000 1.214 735 H CB 0.266 30.041 29.762 0.021 0.000 1.389 735 H HN 0.665 nan 8.280 nan 0.000 0.577 736 A N 1.003 123.894 122.820 0.117 0.000 2.564 736 A HA 0.591 4.927 4.320 0.027 0.000 0.288 736 A C -1.436 176.186 177.584 0.062 0.000 1.164 736 A CA -0.765 51.323 52.037 0.085 0.000 0.712 736 A CB 1.388 20.440 19.000 0.086 0.000 1.303 736 A HN 0.213 nan 8.150 nan 0.000 0.418 737 I N -0.034 120.573 120.570 0.062 0.000 2.545 737 I HA 0.732 4.918 4.170 0.027 0.000 0.292 737 I C -2.787 173.372 176.117 0.071 0.000 1.040 737 I CA -2.183 59.148 61.300 0.052 0.000 1.068 737 I CB 2.371 40.394 38.000 0.039 0.000 1.251 737 I HN 0.379 nan 8.210 nan 0.000 0.424 738 P HA 0.162 nan 4.420 nan 0.000 0.274 738 P C -1.422 175.945 177.300 0.111 0.000 1.237 738 P CA 0.065 63.218 63.100 0.088 0.000 0.793 738 P CB 0.364 32.073 31.700 0.015 0.000 0.977 739 H N 1.800 120.900 119.070 0.051 0.000 2.481 739 H HA 0.383 4.956 4.556 0.028 0.000 0.333 739 H C -1.107 174.252 175.328 0.052 0.000 1.066 739 H CA -0.897 55.175 56.048 0.040 0.000 1.209 739 H CB 1.199 30.987 29.762 0.042 0.000 1.445 739 H HN 0.230 nan 8.280 nan 0.000 0.488 740 L N 4.717 125.579 121.223 -0.601 0.000 2.307 740 L HA 0.312 4.668 4.340 0.027 0.000 0.282 740 L C -0.622 175.972 176.870 -0.459 0.000 1.051 740 L CA 0.007 54.622 54.840 -0.374 0.000 0.804 740 L CB 1.516 43.413 42.059 -0.269 0.000 1.197 740 L HN 0.560 nan 8.230 nan 0.000 0.431 741 T N 3.337 117.828 114.554 -0.105 0.000 2.809 741 T HA 0.481 4.847 4.350 0.027 0.000 0.284 741 T C -0.416 174.357 174.700 0.120 0.000 0.992 741 T CA -0.407 61.709 62.100 0.026 0.000 0.957 741 T CB 1.093 70.025 68.868 0.106 0.000 0.942 741 T HN 0.675 nan 8.240 nan 0.000 0.439 742 T N 2.955 117.587 114.554 0.130 0.000 2.824 742 T HA 0.699 5.066 4.350 0.027 0.000 0.280 742 T C 0.049 174.800 174.700 0.084 0.000 0.995 742 T CA -0.696 61.528 62.100 0.207 0.000 1.009 742 T CB 1.206 70.227 68.868 0.255 0.000 0.955 742 T HN 0.689 nan 8.240 nan 0.000 0.452 743 S N 1.761 117.467 115.700 0.010 0.000 2.651 743 S HA 0.456 4.942 4.470 0.027 0.000 0.279 743 S C 0.722 175.262 174.600 -0.100 0.000 1.148 743 S CA -0.809 57.377 58.200 -0.025 0.000 0.837 743 S CB 1.625 64.822 63.200 -0.006 0.000 1.138 743 S HN 0.438 nan 8.310 nan 0.000 0.478 744 E N 0.759 120.916 120.200 -0.072 0.000 2.058 744 E HA -0.111 4.255 4.350 0.027 0.000 0.194 744 E C 1.780 178.299 176.600 -0.136 0.000 0.997 744 E CA 1.680 58.025 56.400 -0.092 0.000 0.801 744 E CB -0.296 29.373 29.700 -0.052 0.000 0.746 744 E HN 0.661 nan 8.360 nan 0.000 0.450 745 M N 0.211 119.751 119.600 -0.101 0.000 2.287 745 M HA 0.060 4.556 4.480 0.027 0.000 0.266 745 M C 0.386 176.613 176.300 -0.122 0.000 1.079 745 M CA 0.956 56.202 55.300 -0.089 0.000 1.146 745 M CB -0.272 32.309 32.600 -0.032 0.000 1.374 745 M HN -0.133 nan 8.290 nan 0.000 0.435 746 D N -1.051 119.272 120.400 -0.130 0.000 2.570 746 D HA 0.431 5.088 4.640 0.027 0.000 0.244 746 D C -1.447 174.790 176.300 -0.105 0.000 1.178 746 D CA -0.422 53.526 54.000 -0.086 0.000 0.881 746 D CB 2.411 43.244 40.800 0.056 0.000 1.453 746 D HN -0.123 nan 8.370 nan 0.000 0.447 747 F N 1.083 121.108 119.950 0.124 0.000 2.402 747 F HA 0.323 4.867 4.527 0.027 0.000 0.355 747 F C 0.119 176.038 175.800 0.198 0.000 1.123 747 F CA -0.751 57.310 58.000 0.103 0.000 1.021 747 F CB 1.055 40.073 39.000 0.030 0.000 1.160 747 F HN 0.130 nan 8.300 nan 0.000 0.451 748 C N 4.552 124.046 119.300 0.323 0.000 2.435 748 C HA 0.789 5.266 4.460 0.027 0.000 0.333 748 C C -0.203 174.937 174.990 0.250 0.000 1.202 748 C CA -0.807 58.388 59.018 0.295 0.000 1.830 748 C CB 1.035 28.893 27.740 0.197 0.000 2.326 748 C HN 0.540 nan 8.230 nan 0.000 0.507 749 I N 2.203 122.980 120.570 0.344 0.000 2.498 749 I HA 0.477 4.663 4.170 0.027 0.000 0.290 749 I C -0.208 176.186 176.117 0.462 0.000 1.032 749 I CA -0.105 61.386 61.300 0.319 0.000 1.073 749 I CB 1.502 39.635 38.000 0.221 0.000 1.251 749 I HN 0.602 nan 8.210 nan 0.000 0.426 750 E N 4.902 125.307 120.200 0.341 0.000 2.248 750 E HA 0.791 5.158 4.350 0.027 0.000 0.267 750 E C -1.696 175.090 176.600 0.310 0.000 0.877 750 E CA -0.694 55.888 56.400 0.304 0.000 0.759 750 E CB 2.181 31.992 29.700 0.185 0.000 1.182 750 E HN 0.463 nan 8.360 nan 0.000 0.418 751 L N 4.124 125.530 121.223 0.305 0.000 2.676 751 L HA 0.508 4.864 4.340 0.027 0.000 0.262 751 L C 0.295 177.259 176.870 0.156 0.000 0.965 751 L CA 0.596 55.589 54.840 0.256 0.000 0.920 751 L CB 1.138 43.405 42.059 0.346 0.000 1.260 751 L HN 0.695 nan 8.230 nan 0.000 0.422 752 G N 4.312 113.169 108.800 0.095 0.000 2.665 752 G HA2 -0.460 3.516 3.960 0.027 0.000 0.326 752 G HA3 -0.460 3.516 3.960 0.027 0.000 0.326 752 G C 0.698 175.606 174.900 0.013 0.000 1.231 752 G CA 0.763 45.892 45.100 0.048 0.000 0.992 752 G HN 1.161 nan 8.290 nan 0.000 0.549 753 N N 1.670 120.366 118.700 -0.007 0.000 2.398 753 N HA 0.101 4.858 4.740 0.027 0.000 0.188 753 N C 0.563 176.018 175.510 -0.091 0.000 1.122 753 N CA 1.018 54.042 53.050 -0.044 0.000 0.866 753 N CB 0.209 38.671 38.487 -0.042 0.000 0.970 753 N HN 0.722 nan 8.380 nan 0.000 0.462 754 K N -0.004 120.331 120.400 -0.108 0.000 2.295 754 K HA 0.500 4.836 4.320 0.027 0.000 0.239 754 K C -0.710 175.700 176.600 -0.318 0.000 0.991 754 K CA -0.791 55.301 56.287 -0.325 0.000 0.845 754 K CB 2.371 34.546 32.500 -0.542 0.000 1.197 754 K HN -0.032 nan 8.250 nan 0.000 0.441 755 R N 1.298 121.516 120.500 -0.470 0.000 2.584 755 R HA 0.311 4.667 4.340 0.027 0.000 0.276 755 R C -1.758 174.464 176.300 -0.129 0.000 1.046 755 R CA -0.568 55.467 56.100 -0.109 0.000 0.906 755 R CB 1.223 31.509 30.300 -0.024 0.000 1.215 755 R HN 0.608 nan 8.270 nan 0.000 0.449 756 W N 3.761 125.153 121.300 0.153 0.000 2.587 756 W HA 0.332 5.009 4.660 0.027 0.000 0.324 756 W C -0.583 176.004 176.519 0.112 0.000 1.040 756 W CA -0.724 56.658 57.345 0.062 0.000 1.222 756 W CB 2.174 31.664 29.460 0.050 0.000 1.381 756 W HN 0.446 nan 8.180 nan 0.000 0.483 757 Q N 2.981 122.896 119.800 0.193 0.000 2.348 757 Q HA 0.354 4.710 4.340 0.027 0.000 0.265 757 Q C -1.698 174.246 176.000 -0.093 0.000 0.998 757 Q CA -0.518 55.397 55.803 0.186 0.000 0.831 757 Q CB 1.056 29.972 28.738 0.296 0.000 1.251 757 Q HN 0.343 nan 8.270 nan 0.000 0.456 758 F N 3.098 123.131 119.950 0.138 0.000 2.385 758 F HA 0.261 4.804 4.527 0.027 0.000 0.360 758 F C 0.725 176.565 175.800 0.066 0.000 1.122 758 F CA -0.792 57.257 58.000 0.083 0.000 1.090 758 F CB 0.984 40.035 39.000 0.086 0.000 1.150 758 F HN 0.482 nan 8.300 nan 0.000 0.472 759 N N 3.768 122.572 118.700 0.173 0.000 2.452 759 N HA 0.052 4.809 4.740 0.027 0.000 0.266 759 N C 0.972 176.515 175.510 0.055 0.000 1.175 759 N CA 0.172 53.283 53.050 0.101 0.000 0.945 759 N CB 0.670 39.221 38.487 0.106 0.000 1.063 759 N HN 0.669 nan 8.380 nan 0.000 0.472 760 R N 2.476 122.944 120.500 -0.054 0.000 2.236 760 R HA -0.060 4.296 4.340 0.027 0.000 0.208 760 R C 1.015 177.268 176.300 -0.080 0.000 1.036 760 R CA 0.974 56.989 56.100 -0.140 0.000 1.001 760 R CB 0.271 30.364 30.300 -0.345 0.000 0.896 760 R HN 0.576 nan 8.270 nan 0.000 0.464 761 Q N -0.328 119.451 119.800 -0.036 0.000 2.204 761 Q HA -0.017 4.340 4.340 0.027 0.000 0.198 761 Q C 2.093 178.101 176.000 0.014 0.000 0.946 761 Q CA 1.627 57.420 55.803 -0.016 0.000 0.859 761 Q CB 0.143 28.884 28.738 0.004 0.000 0.946 761 Q HN 0.268 nan 8.270 nan 0.000 0.474 762 S N -1.366 114.373 115.700 0.065 0.000 2.439 762 S HA 0.220 4.706 4.470 0.027 0.000 0.224 762 S C 1.636 176.232 174.600 -0.007 0.000 1.029 762 S CA 0.502 58.784 58.200 0.137 0.000 0.946 762 S CB 0.051 63.440 63.200 0.315 0.000 0.797 762 S HN 0.467 nan 8.310 nan 0.000 0.504 763 G N 0.368 109.146 108.800 -0.037 0.000 2.143 763 G HA2 -0.193 3.784 3.960 0.027 0.000 0.249 763 G HA3 -0.193 3.784 3.960 0.027 0.000 0.249 763 G C -0.185 174.627 174.900 -0.147 0.000 0.981 763 G CA 0.267 45.304 45.100 -0.105 0.000 0.665 763 G HN 0.475 nan 8.290 nan 0.000 0.528 764 F N -1.090 119.050 119.950 0.316 0.000 2.556 764 F HA 0.702 5.246 4.527 0.027 0.000 0.327 764 F C 0.451 176.294 175.800 0.073 0.000 1.059 764 F CA -1.664 56.479 58.000 0.238 0.000 0.953 764 F CB 1.355 40.444 39.000 0.148 0.000 1.227 764 F HN 0.016 nan 8.300 nan 0.000 0.478 765 L N 2.010 123.296 121.223 0.104 0.000 2.515 765 L HA 0.193 4.549 4.340 0.027 0.000 0.281 765 L C 0.972 177.738 176.870 -0.173 0.000 1.131 765 L CA 0.473 55.047 54.840 -0.444 0.000 0.905 765 L CB -0.086 41.665 42.059 -0.513 0.000 1.246 765 L HN 0.689 nan 8.230 nan 0.000 0.463 766 S N 2.415 118.020 115.700 -0.158 0.000 2.524 766 S HA 0.238 4.725 4.470 0.027 0.000 0.216 766 S C 0.580 175.062 174.600 -0.198 0.000 0.987 766 S CA -0.090 58.057 58.200 -0.090 0.000 0.909 766 S CB 0.060 63.259 63.200 -0.002 0.000 0.781 766 S HN 0.676 nan 8.310 nan 0.000 0.521 767 Q N -0.063 119.557 119.800 -0.300 0.000 2.479 767 Q HA 0.663 5.020 4.340 0.027 0.000 0.276 767 Q C -1.995 173.659 176.000 -0.577 0.000 0.989 767 Q CA -0.251 55.238 55.803 -0.523 0.000 0.864 767 Q CB 1.719 30.008 28.738 -0.749 0.000 1.444 767 Q HN 0.439 nan 8.270 nan 0.000 0.388 768 M N 1.704 120.878 119.600 -0.709 0.000 2.446 768 M HA 0.628 5.125 4.480 0.027 0.000 0.294 768 M C -1.377 174.590 176.300 -0.555 0.000 1.158 768 M CA -0.443 54.520 55.300 -0.561 0.000 0.899 768 M CB 2.328 34.562 32.600 -0.609 0.000 1.687 768 M HN 0.443 nan 8.290 nan 0.000 0.455 769 W N 3.090 124.164 121.300 -0.377 0.000 2.915 769 W HA 0.632 5.308 4.660 0.028 0.000 0.337 769 W C -1.397 174.934 176.519 -0.312 0.000 1.102 769 W CA -0.653 56.532 57.345 -0.268 0.000 1.224 769 W CB 1.734 31.074 29.460 -0.200 0.000 1.416 769 W HN 0.494 nan 8.180 nan 0.000 0.503 770 I N 3.059 123.624 120.570 -0.009 0.000 2.382 770 I HA 0.414 4.600 4.170 0.027 0.000 0.285 770 I C 0.850 176.958 176.117 -0.016 0.000 1.007 770 I CA 0.148 61.405 61.300 -0.072 0.000 1.142 770 I CB 1.037 38.968 38.000 -0.116 0.000 1.289 770 I HN 0.718 nan 8.210 nan 0.000 0.453 771 G N 6.017 114.801 108.800 -0.025 0.000 2.556 771 G HA2 -0.327 3.649 3.960 0.027 0.000 0.283 771 G HA3 -0.327 3.649 3.960 0.027 0.000 0.283 771 G C 0.261 175.172 174.900 0.018 0.000 1.177 771 G CA 0.567 45.657 45.100 -0.018 0.000 0.978 771 G HN 0.764 nan 8.290 nan 0.000 0.554 772 D N 0.714 121.132 120.400 0.030 0.000 2.340 772 D HA 0.210 4.867 4.640 0.027 0.000 0.217 772 D C 0.821 177.227 176.300 0.177 0.000 1.081 772 D CA 0.357 54.403 54.000 0.077 0.000 0.842 772 D CB 0.255 41.071 40.800 0.027 0.000 0.934 772 D HN 0.490 nan 8.370 nan 0.000 0.511 773 K N 1.432 121.907 120.400 0.125 0.000 2.248 773 K HA 0.176 4.512 4.320 0.027 0.000 0.281 773 K C 0.007 176.604 176.600 -0.006 0.000 1.054 773 K CA -0.504 55.819 56.287 0.060 0.000 0.903 773 K CB 1.106 33.601 32.500 -0.008 0.000 1.077 773 K HN -0.077 nan 8.250 nan 0.000 0.474 774 K N 2.557 122.875 120.400 -0.138 0.000 2.382 774 K HA -0.004 4.332 4.320 0.027 0.000 0.275 774 K C 0.868 177.278 176.600 -0.316 0.000 1.009 774 K CA -0.015 55.974 56.287 -0.498 0.000 0.970 774 K CB 0.814 33.029 32.500 -0.476 0.000 0.934 774 K HN 0.462 nan 8.250 nan 0.000 0.479 775 Q N 1.377 120.962 119.800 -0.359 0.000 2.317 775 Q HA 0.187 4.543 4.340 0.027 0.000 0.220 775 Q C 0.115 176.035 176.000 -0.133 0.000 0.873 775 Q CA 0.401 56.116 55.803 -0.147 0.000 0.936 775 Q CB 0.540 29.234 28.738 -0.075 0.000 1.105 775 Q HN 0.495 nan 8.270 nan 0.000 0.520 776 L N 0.605 121.680 121.223 -0.247 0.000 2.346 776 L HA 0.391 4.748 4.340 0.027 0.000 0.274 776 L C 0.935 177.672 176.870 -0.223 0.000 1.007 776 L CA -0.384 54.329 54.840 -0.211 0.000 0.818 776 L CB 1.654 43.580 42.059 -0.223 0.000 1.284 776 L HN -0.077 nan 8.230 nan 0.000 0.424 777 L N 0.624 121.710 121.223 -0.228 0.000 2.470 777 L HA 0.158 4.515 4.340 0.027 0.000 0.219 777 L C 0.713 177.465 176.870 -0.197 0.000 1.071 777 L CA 0.477 55.190 54.840 -0.213 0.000 0.850 777 L CB 0.394 42.315 42.059 -0.230 0.000 1.040 777 L HN 0.759 nan 8.230 nan 0.000 0.475 778 T N -3.147 111.264 114.554 -0.238 0.000 2.909 778 T HA 0.541 4.908 4.350 0.027 0.000 0.299 778 T C -2.855 171.771 174.700 -0.124 0.000 1.073 778 T CA -2.116 59.895 62.100 -0.148 0.000 0.999 778 T CB 2.290 71.095 68.868 -0.104 0.000 1.098 778 T HN -0.321 nan 8.240 nan 0.000 0.477 779 P HA 0.214 nan 4.420 nan 0.000 0.270 779 P C -0.514 176.754 177.300 -0.052 0.000 1.227 779 P CA -0.701 62.367 63.100 -0.055 0.000 0.788 779 P CB 0.297 31.993 31.700 -0.006 0.000 0.926 780 L N 2.765 123.997 121.223 0.015 0.000 2.325 780 L HA 0.258 4.614 4.340 0.027 0.000 0.284 780 L C 0.199 177.060 176.870 -0.015 0.000 1.089 780 L CA 0.587 55.477 54.840 0.084 0.000 0.836 780 L CB -0.625 41.586 42.059 0.253 0.000 1.184 780 L HN 0.279 nan 8.230 nan 0.000 0.444 781 R N 2.723 123.117 120.500 -0.177 0.000 2.837 781 R HA 0.453 4.810 4.340 0.027 0.000 0.271 781 R C -0.975 175.208 176.300 -0.196 0.000 0.993 781 R CA -1.076 54.754 56.100 -0.451 0.000 0.931 781 R CB 1.246 31.119 30.300 -0.710 0.000 1.206 781 R HN 0.537 nan 8.270 nan 0.000 0.474 782 D N 1.259 121.606 120.400 -0.089 0.000 2.423 782 D HA 0.026 4.682 4.640 0.027 0.000 0.238 782 D C -0.440 175.491 176.300 -0.615 0.000 1.142 782 D CA 0.576 54.389 54.000 -0.311 0.000 0.884 782 D CB 0.647 41.240 40.800 -0.344 0.000 1.199 782 D HN 0.192 nan 8.370 nan 0.000 0.438 783 Q N 1.236 120.463 119.800 -0.954 0.000 2.285 783 Q HA 0.334 4.690 4.340 0.027 0.000 0.269 783 Q C -1.257 174.012 176.000 -1.218 0.000 1.030 783 Q CA -0.581 54.713 55.803 -0.848 0.000 0.788 783 Q CB 0.784 29.244 28.738 -0.463 0.000 1.266 783 Q HN 0.496 nan 8.270 nan 0.000 0.438 784 F N 0.518 120.072 119.950 -0.659 0.000 2.746 784 F HA 0.192 4.736 4.527 0.027 0.000 0.320 784 F C 0.535 175.882 175.800 -0.756 0.000 1.097 784 F CA -0.060 57.428 58.000 -0.853 0.000 1.195 784 F CB 1.408 39.538 39.000 -1.449 0.000 1.056 784 F HN 0.423 nan 8.300 nan 0.000 0.562 785 T N -0.801 113.434 114.554 -0.532 0.000 2.930 785 T HA 0.791 5.157 4.350 0.027 0.000 0.290 785 T C -0.459 173.979 174.700 -0.436 0.000 1.052 785 T CA -0.966 60.750 62.100 -0.639 0.000 1.017 785 T CB 2.797 71.219 68.868 -0.744 0.000 1.137 785 T HN 0.241 nan 8.240 nan 0.000 0.511 786 R N -0.002 120.281 120.500 -0.361 0.000 2.837 786 R HA 0.781 5.138 4.340 0.027 0.000 0.271 786 R C -0.744 175.602 176.300 0.077 0.000 0.993 786 R CA -1.248 54.777 56.100 -0.126 0.000 0.931 786 R CB 1.525 31.764 30.300 -0.101 0.000 1.206 786 R HN 0.804 nan 8.270 nan 0.000 0.474 787 A N 3.165 126.017 122.820 0.055 0.000 2.484 787 A HA 0.298 4.635 4.320 0.027 0.000 0.268 787 A C -2.056 175.590 177.584 0.104 0.000 1.114 787 A CA -1.327 50.747 52.037 0.062 0.000 0.780 787 A CB -0.455 18.525 19.000 -0.033 0.000 1.061 787 A HN 0.534 nan 8.150 nan 0.000 0.505 788 P HA 0.153 nan 4.420 nan 0.000 0.268 788 P C -0.190 177.213 177.300 0.172 0.000 1.204 788 P CA 0.264 63.519 63.100 0.258 0.000 0.768 788 P CB 0.394 32.276 31.700 0.304 0.000 0.842 789 L N 2.380 123.672 121.223 0.114 0.000 2.475 789 L HA 0.156 4.513 4.340 0.027 0.000 0.253 789 L C 1.784 178.662 176.870 0.013 0.000 1.198 789 L CA -0.411 54.431 54.840 0.003 0.000 0.814 789 L CB -0.005 41.988 42.059 -0.109 0.000 1.134 789 L HN 0.308 nan 8.230 nan 0.000 0.478 790 D N 0.356 120.703 120.400 -0.089 0.000 2.149 790 D HA -0.161 4.496 4.640 0.027 0.000 0.198 790 D C 1.616 177.827 176.300 -0.149 0.000 0.990 790 D CA 1.385 55.253 54.000 -0.220 0.000 0.839 790 D CB 0.041 40.634 40.800 -0.345 0.000 0.948 790 D HN 0.473 nan 8.370 nan 0.000 0.460 791 N N 0.966 119.595 118.700 -0.118 0.000 2.309 791 N HA -0.103 4.654 4.740 0.027 0.000 0.182 791 N C 1.150 176.664 175.510 0.006 0.000 1.018 791 N CA 0.661 53.672 53.050 -0.065 0.000 0.876 791 N CB -0.121 38.318 38.487 -0.081 0.000 0.972 791 N HN 0.254 nan 8.380 nan 0.000 0.434 792 D N 0.402 120.823 120.400 0.035 0.000 2.194 792 D HA 0.049 4.706 4.640 0.027 0.000 0.204 792 D C 1.960 178.298 176.300 0.064 0.000 0.964 792 D CA 0.420 54.475 54.000 0.093 0.000 0.846 792 D CB 0.198 41.131 40.800 0.222 0.000 0.962 792 D HN 0.314 nan 8.370 nan 0.000 0.490 793 I N 0.073 120.666 120.570 0.037 0.000 2.585 793 I HA 0.080 4.266 4.170 0.027 0.000 0.254 793 I C 1.763 177.890 176.117 0.018 0.000 1.129 793 I CA 0.559 61.867 61.300 0.015 0.000 1.455 793 I CB -0.222 37.756 38.000 -0.036 0.000 1.111 793 I HN 0.045 nan 8.210 nan 0.000 0.433 794 G N 1.397 110.220 108.800 0.038 0.000 2.574 794 G HA2 -0.346 3.631 3.960 0.027 0.000 0.286 794 G HA3 -0.346 3.631 3.960 0.027 0.000 0.286 794 G C 0.722 175.777 174.900 0.258 0.000 1.212 794 G CA 0.783 45.972 45.100 0.149 0.000 0.979 794 G HN 0.505 nan 8.290 nan 0.000 0.557 795 V N -1.835 118.183 119.914 0.173 0.000 3.649 795 V HA 0.557 4.694 4.120 0.027 0.000 0.275 795 V C 1.403 177.525 176.094 0.046 0.000 1.281 795 V CA 1.388 63.750 62.300 0.103 0.000 1.143 795 V CB -0.038 31.748 31.823 -0.062 0.000 0.892 795 V HN 1.218 nan 8.190 nan 0.000 0.441 796 S N 0.948 116.668 115.700 0.032 0.000 2.560 796 S HA 0.310 4.797 4.470 0.027 0.000 0.284 796 S C -0.112 174.494 174.600 0.011 0.000 1.327 796 S CA 0.168 58.370 58.200 0.005 0.000 1.055 796 S CB 0.330 63.526 63.200 -0.006 0.000 0.868 796 S HN 0.827 nan 8.310 nan 0.000 0.506 797 E N 0.832 121.035 120.200 0.004 0.000 2.392 797 E HA 0.522 4.889 4.350 0.027 0.000 0.279 797 E C 0.520 177.126 176.600 0.010 0.000 0.964 797 E CA -0.339 56.068 56.400 0.011 0.000 0.777 797 E CB 1.394 31.101 29.700 0.011 0.000 1.249 797 E HN 0.595 nan 8.360 nan 0.000 0.449 798 A N 0.789 123.620 122.820 0.019 0.000 1.915 798 A HA -0.255 4.082 4.320 0.027 0.000 0.220 798 A C 1.859 179.450 177.584 0.012 0.000 1.198 798 A CA 2.803 54.851 52.037 0.018 0.000 0.647 798 A CB -1.118 17.898 19.000 0.026 0.000 0.825 798 A HN 0.685 nan 8.150 nan 0.000 0.456 799 T N -4.334 110.226 114.554 0.011 0.000 3.148 799 T HA 0.253 4.619 4.350 0.027 0.000 0.253 799 T C 0.722 175.419 174.700 -0.006 0.000 1.134 799 T CA 0.608 62.711 62.100 0.004 0.000 1.051 799 T CB -0.058 68.814 68.868 0.006 0.000 0.959 799 T HN 0.387 nan 8.240 nan 0.000 0.525 800 R N 0.949 121.443 120.500 -0.009 0.000 3.179 800 R HA 0.276 4.632 4.340 0.027 0.000 0.231 800 R C -1.320 174.967 176.300 -0.022 0.000 1.796 800 R CA -0.532 55.555 56.100 -0.020 0.000 1.233 800 R CB 0.341 30.623 30.300 -0.030 0.000 1.545 800 R HN 0.180 nan 8.270 nan 0.000 0.552 801 I N 1.894 122.453 120.570 -0.019 0.000 2.634 801 I HA 0.042 4.229 4.170 0.027 0.000 0.284 801 I C 0.467 176.564 176.117 -0.034 0.000 1.124 801 I CA 0.219 61.506 61.300 -0.021 0.000 1.417 801 I CB 0.935 38.925 38.000 -0.017 0.000 1.396 801 I HN 0.465 nan 8.210 nan 0.000 0.571 802 D N 8.740 129.116 120.400 -0.040 0.000 2.473 802 D HA 0.279 4.936 4.640 0.027 0.000 0.226 802 D C -1.681 174.573 176.300 -0.076 0.000 1.089 802 D CA -2.203 51.764 54.000 -0.056 0.000 0.883 802 D CB 1.505 42.275 40.800 -0.051 0.000 1.029 802 D HN 0.195 nan 8.370 nan 0.000 0.517 803 P HA -0.109 nan 4.420 nan 0.000 0.228 803 P C 0.794 178.003 177.300 -0.152 0.000 1.151 803 P CA 0.577 63.618 63.100 -0.098 0.000 0.770 803 P CB 0.439 32.090 31.700 -0.081 0.000 0.786 804 N N 0.096 118.700 118.700 -0.160 0.000 2.424 804 N HA 0.048 4.805 4.740 0.027 0.000 0.178 804 N C 0.503 175.827 175.510 -0.311 0.000 1.060 804 N CA 0.066 52.978 53.050 -0.230 0.000 0.901 804 N CB -0.433 37.945 38.487 -0.181 0.000 0.979 804 N HN -0.035 nan 8.380 nan 0.000 0.451 805 A N -0.452 122.231 122.820 -0.228 0.000 2.498 805 A HA 0.058 4.394 4.320 0.027 0.000 0.239 805 A C 0.683 178.069 177.584 -0.329 0.000 1.068 805 A CA -0.293 51.613 52.037 -0.219 0.000 0.766 805 A CB -0.183 18.757 19.000 -0.101 0.000 1.003 805 A HN 0.540 nan 8.150 nan 0.000 0.497 806 W N 1.643 122.693 121.300 -0.417 0.000 2.321 806 W HA -0.170 4.506 4.660 0.027 0.000 0.306 806 W C 2.193 178.146 176.519 -0.943 0.000 1.217 806 W CA 1.640 58.478 57.345 -0.846 0.000 1.257 806 W CB -0.296 28.523 29.460 -1.067 0.000 1.145 806 W HN 0.564 nan 8.180 nan 0.000 0.509 807 V N 0.891 120.680 119.914 -0.207 0.000 2.392 807 V HA -0.263 3.874 4.120 0.027 0.000 0.249 807 V C 2.094 178.260 176.094 0.119 0.000 1.059 807 V CA 2.098 64.472 62.300 0.123 0.000 1.051 807 V CB -0.298 31.645 31.823 0.199 0.000 0.658 807 V HN 0.101 nan 8.190 nan 0.000 0.455 808 E N -0.171 120.009 120.200 -0.033 0.000 2.152 808 E HA -0.130 4.237 4.350 0.027 0.000 0.192 808 E C 2.342 178.905 176.600 -0.061 0.000 0.983 808 E CA 0.833 57.217 56.400 -0.026 0.000 0.818 808 E CB -0.273 29.390 29.700 -0.062 0.000 0.758 808 E HN 0.625 nan 8.360 nan 0.000 0.467 809 R N -0.005 120.379 120.500 -0.193 0.000 2.075 809 R HA -0.103 4.254 4.340 0.027 0.000 0.232 809 R C 2.273 178.514 176.300 -0.098 0.000 1.126 809 R CA 1.138 57.107 56.100 -0.217 0.000 0.963 809 R CB -0.208 29.841 30.300 -0.419 0.000 0.858 809 R HN 0.244 nan 8.270 nan 0.000 0.435 810 W N 1.702 122.969 121.300 -0.054 0.000 2.355 810 W HA -0.099 4.577 4.660 0.028 0.000 0.309 810 W C 2.015 178.498 176.519 -0.060 0.000 1.206 810 W CA 0.744 57.956 57.345 -0.220 0.000 1.284 810 W CB -0.683 28.798 29.460 0.034 0.000 1.145 810 W HN 0.107 nan 8.180 nan 0.000 0.502 811 K N 0.029 120.648 120.400 0.366 0.000 2.026 811 K HA -0.105 4.232 4.320 0.027 0.000 0.208 811 K C 2.274 178.936 176.600 0.104 0.000 1.048 811 K CA 1.859 58.321 56.287 0.292 0.000 0.929 811 K CB -0.640 31.975 32.500 0.192 0.000 0.713 811 K HN -0.014 nan 8.250 nan 0.000 0.439 812 A N 1.105 123.954 122.820 0.047 0.000 2.019 812 A HA -0.072 4.264 4.320 0.027 0.000 0.219 812 A C 2.195 179.766 177.584 -0.022 0.000 1.164 812 A CA 1.727 53.772 52.037 0.013 0.000 0.644 812 A CB -0.514 18.482 19.000 -0.006 0.000 0.805 812 A HN 0.345 nan 8.150 nan 0.000 0.449 813 A N -2.003 120.780 122.820 -0.061 0.000 2.169 813 A HA 0.399 4.735 4.320 0.027 0.000 0.212 813 A C 1.829 179.323 177.584 -0.149 0.000 1.153 813 A CA 1.281 53.282 52.037 -0.060 0.000 0.756 813 A CB -0.739 18.195 19.000 -0.109 0.000 0.813 813 A HN 1.839 nan 8.150 nan 0.000 0.471 814 G N -1.815 106.810 108.800 -0.293 0.000 2.157 814 G HA2 -0.286 3.691 3.960 0.027 0.000 0.239 814 G HA3 -0.286 3.691 3.960 0.027 0.000 0.239 814 G C 0.634 175.532 174.900 -0.003 0.000 0.982 814 G CA 0.609 45.325 45.100 -0.641 0.000 0.650 814 G HN 0.710 nan 8.290 nan 0.000 0.527 815 H N -1.334 117.724 119.070 -0.020 0.000 2.387 815 H HA -0.121 4.451 4.556 0.028 0.000 0.299 815 H C 2.230 177.545 175.328 -0.022 0.000 1.099 815 H CA 1.716 57.769 56.048 0.009 0.000 1.315 815 H CB 0.071 29.780 29.762 -0.089 0.000 1.380 815 H HN 0.584 nan 8.280 nan 0.000 0.513 816 Y N 0.457 120.884 120.300 0.211 0.000 2.457 816 Y HA -0.084 4.482 4.550 0.027 0.000 0.292 816 Y C 2.291 178.277 175.900 0.143 0.000 1.125 816 Y CA 0.734 58.918 58.100 0.140 0.000 1.254 816 Y CB 0.243 38.771 38.460 0.112 0.000 1.012 816 Y HN 0.173 nan 8.280 nan 0.000 0.555 817 Q N -0.318 119.656 119.800 0.291 0.000 2.396 817 Q HA 0.267 4.624 4.340 0.027 0.000 0.209 817 Q C 0.806 176.997 176.000 0.319 0.000 0.906 817 Q CA 0.009 55.977 55.803 0.274 0.000 0.927 817 Q CB 0.335 29.233 28.738 0.267 0.000 1.069 817 Q HN 0.290 nan 8.270 nan 0.000 0.523 818 A N 2.590 125.622 122.820 0.353 0.000 2.565 818 A HA -0.035 4.302 4.320 0.027 0.000 0.237 818 A C -0.010 177.865 177.584 0.484 0.000 1.053 818 A CA 0.297 52.600 52.037 0.443 0.000 0.755 818 A CB 0.054 19.365 19.000 0.517 0.000 0.980 818 A HN 0.237 nan 8.150 nan 0.000 0.506 819 E N 1.730 122.132 120.200 0.337 0.000 2.179 819 E HA 0.568 4.935 4.350 0.027 0.000 0.275 819 E C -0.325 176.227 176.600 -0.080 0.000 0.945 819 E CA -0.650 55.866 56.400 0.193 0.000 0.792 819 E CB 1.505 31.285 29.700 0.133 0.000 1.125 819 E HN 0.676 nan 8.360 nan 0.000 0.397 820 A N 2.432 125.094 122.820 -0.263 0.000 2.454 820 A HA 0.464 4.800 4.320 0.027 0.000 0.260 820 A C -0.051 177.387 177.584 -0.243 0.000 1.106 820 A CA -0.100 51.522 52.037 -0.692 0.000 0.780 820 A CB 0.151 18.956 19.000 -0.324 0.000 1.044 820 A HN 0.690 nan 8.150 nan 0.000 0.498 821 A N 2.868 125.532 122.820 -0.259 0.000 2.303 821 A HA 0.589 4.926 4.320 0.027 0.000 0.320 821 A C -0.437 177.078 177.584 -0.116 0.000 1.192 821 A CA -0.558 51.414 52.037 -0.108 0.000 0.821 821 A CB 0.548 19.502 19.000 -0.077 0.000 1.188 821 A HN 1.241 nan 8.150 nan 0.000 0.492 822 L N 3.279 124.427 121.223 -0.125 0.000 2.319 822 L HA 0.379 4.735 4.340 0.027 0.000 0.280 822 L C 0.391 177.134 176.870 -0.212 0.000 1.099 822 L CA 0.228 54.890 54.840 -0.297 0.000 0.828 822 L CB 0.414 42.308 42.059 -0.276 0.000 1.150 822 L HN 0.770 nan 8.230 nan 0.000 0.442 823 L N 3.284 124.360 121.223 -0.246 0.000 2.425 823 L HA 0.344 4.700 4.340 0.027 0.000 0.215 823 L C 0.330 177.130 176.870 -0.117 0.000 1.065 823 L CA 0.038 54.801 54.840 -0.128 0.000 0.842 823 L CB 0.055 42.073 42.059 -0.070 0.000 1.033 823 L HN 0.763 nan 8.230 nan 0.000 0.474 824 Q N -0.512 119.189 119.800 -0.165 0.000 2.503 824 Q HA 0.323 4.679 4.340 0.027 0.000 0.268 824 Q C -2.041 173.901 176.000 -0.097 0.000 0.982 824 Q CA -0.594 55.153 55.803 -0.094 0.000 0.907 824 Q CB 2.653 31.361 28.738 -0.051 0.000 1.467 824 Q HN 0.042 nan 8.270 nan 0.000 0.394 825 C N 3.339 122.627 119.300 -0.020 0.000 2.789 825 C HA 0.839 5.315 4.460 0.027 0.000 0.367 825 C C -0.883 174.219 174.990 0.186 0.000 1.062 825 C CA 0.604 59.658 59.018 0.060 0.000 1.297 825 C CB 0.516 28.283 27.740 0.045 0.000 1.794 825 C HN 0.824 nan 8.230 nan 0.000 0.474 826 T N 2.501 117.102 114.554 0.078 0.000 2.901 826 T HA 0.907 5.273 4.350 0.027 0.000 0.293 826 T C -0.545 173.906 174.700 -0.416 0.000 1.084 826 T CA -0.307 61.778 62.100 -0.025 0.000 1.008 826 T CB 1.950 70.789 68.868 -0.048 0.000 1.170 826 T HN 1.667 nan 8.240 nan 0.000 0.509 827 A N 1.465 123.854 122.820 -0.717 0.000 2.393 827 A HA 0.754 5.091 4.320 0.027 0.000 0.306 827 A C -1.192 176.119 177.584 -0.455 0.000 1.050 827 A CA -0.731 50.790 52.037 -0.859 0.000 0.724 827 A CB 1.256 19.306 19.000 -1.584 0.000 1.248 827 A HN 0.868 nan 8.150 nan 0.000 0.424 828 D N 0.840 121.040 120.400 -0.333 0.000 2.671 828 D HA 0.544 5.200 4.640 0.027 0.000 0.232 828 D C -0.857 175.333 176.300 -0.184 0.000 1.114 828 D CA 0.023 53.898 54.000 -0.209 0.000 0.858 828 D CB 2.431 43.141 40.800 -0.149 0.000 1.544 828 D HN 0.426 nan 8.370 nan 0.000 0.471 829 T N 1.434 115.907 114.554 -0.135 0.000 2.824 829 T HA 0.559 4.926 4.350 0.027 0.000 0.280 829 T C 0.433 175.085 174.700 -0.079 0.000 0.995 829 T CA -0.505 61.529 62.100 -0.111 0.000 1.009 829 T CB 1.056 69.869 68.868 -0.092 0.000 0.955 829 T HN 0.111 nan 8.240 nan 0.000 0.452 830 L N 1.091 122.272 121.223 -0.070 0.000 2.299 830 L HA 0.642 4.998 4.340 0.027 0.000 0.268 830 L C 1.883 178.733 176.870 -0.033 0.000 1.012 830 L CA -1.335 53.476 54.840 -0.049 0.000 0.816 830 L CB 0.480 42.510 42.059 -0.048 0.000 1.355 830 L HN 0.715 nan 8.230 nan 0.000 0.457 831 A N 0.239 123.045 122.820 -0.022 0.000 2.024 831 A HA -0.155 4.182 4.320 0.027 0.000 0.220 831 A C 0.988 178.569 177.584 -0.006 0.000 1.164 831 A CA 2.011 54.042 52.037 -0.011 0.000 0.643 831 A CB -0.525 18.472 19.000 -0.005 0.000 0.806 831 A HN 0.894 nan 8.150 nan 0.000 0.451 832 D N -2.988 117.404 120.400 -0.013 0.000 2.594 832 D HA 0.536 5.193 4.640 0.027 0.000 0.256 832 D C 0.001 176.287 176.300 -0.023 0.000 1.393 832 D CA 0.687 54.682 54.000 -0.008 0.000 0.797 832 D CB -0.355 40.443 40.800 -0.003 0.000 1.110 832 D HN 0.466 nan 8.370 nan 0.000 0.495 833 A N -0.513 122.282 122.820 -0.041 0.000 2.564 833 A HA 0.634 4.970 4.320 0.027 0.000 0.291 833 A C -1.798 175.728 177.584 -0.097 0.000 1.102 833 A CA -0.680 51.315 52.037 -0.070 0.000 0.660 833 A CB 1.539 20.498 19.000 -0.068 0.000 1.283 833 A HN 0.004 nan 8.150 nan 0.000 0.430 834 V N 0.554 120.385 119.914 -0.139 0.000 2.555 834 V HA 0.646 4.782 4.120 0.027 0.000 0.302 834 V C -1.040 174.936 176.094 -0.196 0.000 1.038 834 V CA -0.448 61.747 62.300 -0.175 0.000 0.887 834 V CB 1.468 33.175 31.823 -0.194 0.000 0.991 834 V HN 0.889 nan 8.190 nan 0.000 0.434 835 L N 6.453 127.551 121.223 -0.209 0.000 2.342 835 L HA 0.631 4.988 4.340 0.027 0.000 0.276 835 L C -0.869 175.837 176.870 -0.273 0.000 0.997 835 L CA 0.020 54.745 54.840 -0.192 0.000 0.838 835 L CB 1.141 43.120 42.059 -0.133 0.000 1.224 835 L HN 0.401 nan 8.230 nan 0.000 0.416 836 I N 4.162 124.551 120.570 -0.302 0.000 2.336 836 I HA 0.410 4.596 4.170 0.027 0.000 0.292 836 I C 0.070 176.123 176.117 -0.108 0.000 0.991 836 I CA -0.190 60.871 61.300 -0.399 0.000 1.227 836 I CB 1.388 38.855 38.000 -0.889 0.000 1.366 836 I HN 0.556 nan 8.210 nan 0.000 0.466 837 T N 5.200 119.698 114.554 -0.094 0.000 2.792 837 T HA 0.596 4.963 4.350 0.027 0.000 0.280 837 T C 0.198 174.920 174.700 0.038 0.000 0.990 837 T CA -0.510 61.591 62.100 0.001 0.000 0.960 837 T CB 1.547 70.394 68.868 -0.035 0.000 0.939 837 T HN 0.774 nan 8.240 nan 0.000 0.439 838 T N -0.171 114.449 114.554 0.110 0.000 2.916 838 T HA 0.894 5.261 4.350 0.027 0.000 0.292 838 T C -1.035 173.709 174.700 0.073 0.000 1.055 838 T CA -1.093 61.056 62.100 0.082 0.000 1.009 838 T CB 2.060 71.047 68.868 0.198 0.000 1.118 838 T HN 0.738 nan 8.240 nan 0.000 0.497 839 A N 1.414 124.203 122.820 -0.052 0.000 2.459 839 A HA 0.745 5.081 4.320 0.027 0.000 0.296 839 A C -1.481 176.017 177.584 -0.143 0.000 1.039 839 A CA -0.783 51.268 52.037 0.023 0.000 0.698 839 A CB 0.885 19.901 19.000 0.027 0.000 1.261 839 A HN 1.001 nan 8.150 nan 0.000 0.405 840 H N 0.037 119.152 119.070 0.075 0.000 2.821 840 H HA 0.800 5.372 4.556 0.028 0.000 0.373 840 H C -0.036 175.283 175.328 -0.016 0.000 1.165 840 H CA 0.268 56.273 56.048 -0.070 0.000 1.154 840 H CB 2.152 31.784 29.762 -0.217 0.000 1.765 840 H HN 1.011 nan 8.280 nan 0.000 0.549 841 A N 1.638 124.437 122.820 -0.035 0.000 2.355 841 A HA 0.464 4.801 4.320 0.027 0.000 0.317 841 A C -1.350 176.162 177.584 -0.120 0.000 1.094 841 A CA -0.700 51.381 52.037 0.074 0.000 0.764 841 A CB 1.134 20.173 19.000 0.064 0.000 1.230 841 A HN 0.567 nan 8.150 nan 0.000 0.448 842 W N 1.807 123.223 121.300 0.193 0.000 2.429 842 W HA 0.457 5.134 4.660 0.028 0.000 0.314 842 W C -0.398 176.156 176.519 0.059 0.000 1.062 842 W CA -0.134 57.322 57.345 0.185 0.000 1.211 842 W CB 1.743 31.369 29.460 0.278 0.000 1.305 842 W HN 0.769 nan 8.180 nan 0.000 0.476 843 Q N 1.678 121.622 119.800 0.240 0.000 2.451 843 Q HA 0.432 4.789 4.340 0.027 0.000 0.281 843 Q C -1.026 175.111 176.000 0.227 0.000 1.099 843 Q CA -0.906 54.994 55.803 0.162 0.000 0.806 843 Q CB 3.745 32.535 28.738 0.086 0.000 1.419 843 Q HN 0.404 nan 8.270 nan 0.000 0.427 844 H N 1.203 120.316 119.070 0.072 0.000 2.966 844 H HA 0.094 4.667 4.556 0.028 0.000 0.347 844 H C -0.979 174.384 175.328 0.058 0.000 1.048 844 H CA -0.178 55.920 56.048 0.083 0.000 1.295 844 H CB 1.286 31.108 29.762 0.100 0.000 1.744 844 H HN 0.823 nan 8.280 nan 0.000 0.513 845 Q N 3.118 122.658 119.800 -0.433 0.000 2.416 845 Q HA -0.254 4.103 4.340 0.027 0.000 0.319 845 Q C 0.995 176.945 176.000 -0.085 0.000 1.318 845 Q CA 1.258 56.897 55.803 -0.273 0.000 0.915 845 Q CB -1.329 27.220 28.738 -0.316 0.000 1.184 845 Q HN 1.167 nan 8.270 nan 0.000 0.444 846 G N -0.684 108.090 108.800 -0.043 0.000 2.199 846 G HA2 -0.383 3.594 3.960 0.027 0.000 0.254 846 G HA3 -0.383 3.594 3.960 0.027 0.000 0.254 846 G C 0.029 174.938 174.900 0.015 0.000 0.982 846 G CA 0.485 45.580 45.100 -0.008 0.000 0.632 846 G HN 0.437 nan 8.290 nan 0.000 0.529 847 K N 1.083 121.503 120.400 0.033 0.000 2.182 847 K HA 0.671 5.008 4.320 0.027 0.000 0.262 847 K C -0.181 176.440 176.600 0.035 0.000 0.957 847 K CA -0.220 56.089 56.287 0.038 0.000 0.842 847 K CB 1.239 33.770 32.500 0.053 0.000 1.099 847 K HN -0.028 nan 8.250 nan 0.000 0.438 848 T N 5.836 120.400 114.554 0.017 0.000 2.723 848 T HA 0.217 4.584 4.350 0.027 0.000 0.297 848 T C 1.028 175.686 174.700 -0.070 0.000 0.925 848 T CA -0.400 61.708 62.100 0.013 0.000 1.030 848 T CB 0.277 69.168 68.868 0.038 0.000 0.905 848 T HN 0.556 nan 8.240 nan 0.000 0.502 849 L N 2.497 123.603 121.223 -0.195 0.000 2.102 849 L HA 0.288 4.644 4.340 0.027 0.000 0.202 849 L C -0.177 176.253 176.870 -0.734 0.000 1.076 849 L CA 0.983 55.434 54.840 -0.648 0.000 0.761 849 L CB 0.047 41.347 42.059 -1.264 0.000 0.921 849 L HN 0.490 nan 8.230 nan 0.000 0.444 850 F N -1.236 118.685 119.950 -0.048 0.000 2.613 850 F HA 0.548 5.091 4.527 0.027 0.000 0.310 850 F C -0.503 175.409 175.800 0.185 0.000 1.085 850 F CA -1.001 56.911 58.000 -0.148 0.000 0.945 850 F CB 1.501 40.011 39.000 -0.816 0.000 1.298 850 F HN -0.315 nan 8.300 nan 0.000 0.455 851 I N 1.436 122.229 120.570 0.371 0.000 2.466 851 I HA 0.420 4.606 4.170 0.027 0.000 0.289 851 I C -0.667 175.718 176.117 0.447 0.000 1.026 851 I CA -0.552 60.994 61.300 0.410 0.000 1.078 851 I CB 2.131 40.281 38.000 0.249 0.000 1.249 851 I HN 0.545 nan 8.210 nan 0.000 0.429 852 S N 6.799 122.863 115.700 0.606 0.000 2.456 852 S HA 0.573 5.060 4.470 0.027 0.000 0.316 852 S C -0.624 174.208 174.600 0.387 0.000 1.089 852 S CA -0.675 57.840 58.200 0.524 0.000 1.101 852 S CB 0.602 64.228 63.200 0.711 0.000 0.995 852 S HN 0.533 nan 8.310 nan 0.000 0.468 853 R N 3.585 124.238 120.500 0.256 0.000 2.494 853 R HA 0.575 4.931 4.340 0.027 0.000 0.305 853 R C -0.679 175.687 176.300 0.111 0.000 0.959 853 R CA -0.805 55.401 56.100 0.177 0.000 0.864 853 R CB 1.827 32.206 30.300 0.132 0.000 1.159 853 R HN 0.553 nan 8.270 nan 0.000 0.446 854 K N 0.793 121.247 120.400 0.090 0.000 2.480 854 K HA 0.477 4.814 4.320 0.027 0.000 0.258 854 K C -0.789 175.786 176.600 -0.042 0.000 0.990 854 K CA -0.888 55.375 56.287 -0.039 0.000 0.857 854 K CB 2.623 35.080 32.500 -0.071 0.000 1.384 854 K HN 0.666 nan 8.250 nan 0.000 0.446 855 T N -1.474 112.986 114.554 -0.157 0.000 2.912 855 T HA 0.571 4.937 4.350 0.027 0.000 0.299 855 T C -1.332 173.250 174.700 -0.197 0.000 1.052 855 T CA -0.744 61.308 62.100 -0.080 0.000 0.996 855 T CB 0.575 69.419 68.868 -0.039 0.000 1.070 855 T HN 0.394 nan 8.240 nan 0.000 0.465 856 Y N 0.778 121.039 120.300 -0.066 0.000 2.350 856 Y HA 0.665 5.231 4.550 0.028 0.000 0.338 856 Y C 0.445 176.269 175.900 -0.127 0.000 0.961 856 Y CA -1.089 56.987 58.100 -0.041 0.000 1.100 856 Y CB 2.024 40.482 38.460 -0.004 0.000 1.179 856 Y HN 0.693 nan 8.280 nan 0.000 0.454 857 R N 4.368 124.891 120.500 0.038 0.000 2.409 857 R HA 0.641 4.997 4.340 0.027 0.000 0.313 857 R C -1.791 174.448 176.300 -0.102 0.000 0.953 857 R CA -0.485 55.585 56.100 -0.050 0.000 0.849 857 R CB 0.679 30.959 30.300 -0.033 0.000 1.171 857 R HN 0.810 nan 8.270 nan 0.000 0.458 858 I N 5.026 125.471 120.570 -0.208 0.000 2.339 858 I HA 0.207 4.393 4.170 0.027 0.000 0.290 858 I C -0.275 175.707 176.117 -0.226 0.000 0.994 858 I CA -0.585 60.508 61.300 -0.345 0.000 1.191 858 I CB 1.522 39.100 38.000 -0.703 0.000 1.343 858 I HN 0.686 nan 8.210 nan 0.000 0.458 859 D N 4.082 124.395 120.400 -0.145 0.000 2.592 859 D HA 0.302 4.958 4.640 0.027 0.000 0.259 859 D C 1.263 177.542 176.300 -0.035 0.000 1.144 859 D CA -0.729 53.228 54.000 -0.072 0.000 1.080 859 D CB 0.745 41.524 40.800 -0.036 0.000 1.225 859 D HN 0.442 nan 8.370 nan 0.000 0.619 860 G N -1.038 107.758 108.800 -0.006 0.000 2.479 860 G HA2 -0.234 3.743 3.960 0.027 0.000 0.220 860 G HA3 -0.234 3.743 3.960 0.027 0.000 0.220 860 G C 1.290 176.202 174.900 0.020 0.000 1.115 860 G CA 1.259 46.370 45.100 0.020 0.000 0.757 860 G HN 0.573 nan 8.290 nan 0.000 0.560 861 S N -0.750 114.955 115.700 0.008 0.000 2.489 861 S HA 0.326 4.812 4.470 0.027 0.000 0.228 861 S C 1.930 176.567 174.600 0.062 0.000 0.995 861 S CA 1.053 59.258 58.200 0.008 0.000 0.934 861 S CB -0.106 63.095 63.200 0.002 0.000 0.771 861 S HN 1.535 nan 8.310 nan 0.000 0.522 862 G N 0.287 109.144 108.800 0.095 0.000 2.176 862 G HA2 -0.212 3.764 3.960 0.027 0.000 0.232 862 G HA3 -0.212 3.764 3.960 0.027 0.000 0.232 862 G C -0.203 174.833 174.900 0.226 0.000 0.986 862 G CA -0.019 45.213 45.100 0.220 0.000 0.643 862 G HN 0.599 nan 8.290 nan 0.000 0.522 863 Q N -0.199 119.666 119.800 0.109 0.000 2.261 863 Q HA 0.616 4.972 4.340 0.027 0.000 0.252 863 Q C 0.186 176.216 176.000 0.051 0.000 0.915 863 Q CA -0.190 55.684 55.803 0.119 0.000 0.915 863 Q CB 1.531 30.322 28.738 0.089 0.000 1.204 863 Q HN 0.450 nan 8.270 nan 0.000 0.421 864 M N 2.165 121.839 119.600 0.124 0.000 2.066 864 M HA 0.478 4.975 4.480 0.027 0.000 0.340 864 M C -1.316 175.086 176.300 0.169 0.000 1.053 864 M CA -0.460 54.881 55.300 0.068 0.000 0.983 864 M CB 0.886 33.553 32.600 0.112 0.000 1.520 864 M HN 0.684 nan 8.290 nan 0.000 0.428 865 A N 6.957 129.839 122.820 0.102 0.000 2.276 865 A HA 0.654 4.991 4.320 0.027 0.000 0.300 865 A C -0.713 176.912 177.584 0.068 0.000 1.235 865 A CA -0.599 51.500 52.037 0.103 0.000 0.867 865 A CB 0.083 19.122 19.000 0.064 0.000 1.137 865 A HN 0.926 nan 8.150 nan 0.000 0.527 866 I N 2.591 123.190 120.570 0.048 0.000 2.339 866 I HA 0.295 4.481 4.170 0.027 0.000 0.290 866 I C -0.092 175.912 176.117 -0.187 0.000 0.994 866 I CA -0.192 61.026 61.300 -0.137 0.000 1.191 866 I CB 1.969 39.916 38.000 -0.088 0.000 1.343 866 I HN 0.499 nan 8.210 nan 0.000 0.458 867 T N 5.850 120.261 114.554 -0.238 0.000 2.794 867 T HA 0.558 4.925 4.350 0.027 0.000 0.280 867 T C -0.234 174.270 174.700 -0.326 0.000 0.987 867 T CA -0.479 61.485 62.100 -0.228 0.000 0.993 867 T CB 1.844 70.674 68.868 -0.063 0.000 0.939 867 T HN 0.221 nan 8.240 nan 0.000 0.449 868 V N 3.534 123.142 119.914 -0.511 0.000 2.531 868 V HA 0.474 4.610 4.120 0.027 0.000 0.301 868 V C -0.787 175.174 176.094 -0.222 0.000 1.034 868 V CA -0.919 61.107 62.300 -0.457 0.000 0.865 868 V CB 2.089 33.370 31.823 -0.904 0.000 0.995 868 V HN 0.859 nan 8.190 nan 0.000 0.424 869 D N 3.265 123.684 120.400 0.031 0.000 2.549 869 D HA 0.510 5.167 4.640 0.027 0.000 0.251 869 D C -1.038 175.389 176.300 0.212 0.000 1.153 869 D CA -0.129 53.981 54.000 0.183 0.000 0.861 869 D CB 2.795 43.715 40.800 0.199 0.000 1.207 869 D HN 0.255 nan 8.370 nan 0.000 0.543 870 V N 2.474 122.553 119.914 0.274 0.000 2.513 870 V HA 0.287 4.424 4.120 0.027 0.000 0.299 870 V C 0.097 176.340 176.094 0.249 0.000 1.035 870 V CA -0.643 61.834 62.300 0.294 0.000 0.889 870 V CB 2.322 34.361 31.823 0.361 0.000 0.988 870 V HN 0.368 nan 8.190 nan 0.000 0.440 871 E N 2.757 123.088 120.200 0.217 0.000 2.171 871 E HA 0.614 4.980 4.350 0.027 0.000 0.271 871 E C -1.522 175.192 176.600 0.190 0.000 0.916 871 E CA -0.578 55.928 56.400 0.176 0.000 0.774 871 E CB 2.590 32.377 29.700 0.145 0.000 1.128 871 E HN 0.403 nan 8.360 nan 0.000 0.403 872 V N 2.274 122.304 119.914 0.194 0.000 2.444 872 V HA 0.350 4.487 4.120 0.027 0.000 0.294 872 V C 0.067 176.251 176.094 0.150 0.000 1.022 872 V CA -0.884 61.551 62.300 0.225 0.000 0.850 872 V CB 1.471 33.468 31.823 0.289 0.000 0.992 872 V HN 0.837 nan 8.190 nan 0.000 0.426 873 A N 3.637 126.500 122.820 0.072 0.000 2.567 873 A HA 0.250 4.586 4.320 0.027 0.000 0.240 873 A C 1.675 179.326 177.584 0.112 0.000 1.053 873 A CA 0.665 52.737 52.037 0.058 0.000 0.755 873 A CB 0.225 19.224 19.000 -0.002 0.000 0.978 873 A HN 1.372 nan 8.150 nan 0.000 0.507 874 S N 1.392 117.157 115.700 0.107 0.000 2.419 874 S HA -0.181 4.305 4.470 0.027 0.000 0.235 874 S C 0.947 175.627 174.600 0.134 0.000 1.019 874 S CA 1.471 59.754 58.200 0.138 0.000 0.982 874 S CB -0.330 62.930 63.200 0.100 0.000 0.789 874 S HN 0.828 nan 8.310 nan 0.000 0.490 875 D N 0.215 120.666 120.400 0.086 0.000 2.339 875 D HA 0.138 4.795 4.640 0.027 0.000 0.217 875 D C 0.540 176.871 176.300 0.052 0.000 1.050 875 D CA 0.061 54.094 54.000 0.056 0.000 0.856 875 D CB -0.454 40.366 40.800 0.034 0.000 0.922 875 D HN 0.322 nan 8.370 nan 0.000 0.518 876 T N 1.596 116.205 114.554 0.092 0.000 2.922 876 T HA 0.368 4.735 4.350 0.027 0.000 0.285 876 T C -2.570 172.229 174.700 0.165 0.000 1.005 876 T CA -1.910 60.267 62.100 0.128 0.000 1.061 876 T CB 1.187 70.148 68.868 0.154 0.000 1.007 876 T HN -0.136 nan 8.240 nan 0.000 0.502 877 P HA 0.057 nan 4.420 nan 0.000 0.265 877 P C -0.618 176.979 177.300 0.494 0.000 1.187 877 P CA 0.156 63.358 63.100 0.170 0.000 0.766 877 P CB -0.051 31.742 31.700 0.156 0.000 0.820 878 H N 3.593 123.037 119.070 0.623 0.000 3.034 878 H HA 0.084 4.657 4.556 0.027 0.000 0.324 878 H C -1.561 174.120 175.328 0.589 0.000 1.015 878 H CA -1.250 55.105 56.048 0.512 0.000 1.429 878 H CB -0.445 29.552 29.762 0.391 0.000 1.429 878 H HN 0.390 nan 8.280 nan 0.000 0.585 879 P HA 0.037 nan 4.420 nan 0.000 0.276 879 P C 0.087 177.281 177.300 -0.177 0.000 1.244 879 P CA -0.358 62.812 63.100 0.118 0.000 0.801 879 P CB 1.180 32.797 31.700 -0.139 0.000 1.006 880 A N 2.772 125.201 122.820 -0.651 0.000 1.969 880 A HA -0.091 4.246 4.320 0.027 0.000 0.218 880 A C 1.064 178.259 177.584 -0.649 0.000 1.169 880 A CA 1.317 52.949 52.037 -0.676 0.000 0.635 880 A CB -0.532 17.833 19.000 -1.058 0.000 0.810 880 A HN 0.743 nan 8.150 nan 0.000 0.445 881 R N -2.791 117.359 120.500 -0.583 0.000 2.716 881 R HA 0.745 5.101 4.340 0.027 0.000 0.271 881 R C -1.655 174.403 176.300 -0.404 0.000 1.028 881 R CA -0.797 54.983 56.100 -0.534 0.000 0.883 881 R CB 0.898 30.849 30.300 -0.581 0.000 1.250 881 R HN -0.009 nan 8.270 nan 0.000 0.465 882 I N 1.219 121.588 120.570 -0.335 0.000 2.493 882 I HA 0.629 4.816 4.170 0.027 0.000 0.279 882 I C -0.405 175.482 176.117 -0.384 0.000 1.045 882 I CA -0.320 60.807 61.300 -0.287 0.000 1.106 882 I CB 1.820 39.724 38.000 -0.161 0.000 1.216 882 I HN 0.967 nan 8.210 nan 0.000 0.459 883 G N 5.769 114.277 108.800 -0.487 0.000 2.731 883 G HA2 0.753 4.730 3.960 0.027 0.000 0.309 883 G HA3 0.753 4.730 3.960 0.027 0.000 0.309 883 G C -1.614 173.119 174.900 -0.279 0.000 1.273 883 G CA -0.572 44.288 45.100 -0.401 0.000 0.798 883 G HN 0.259 nan 8.290 nan 0.000 0.509 884 L N 0.733 121.845 121.223 -0.185 0.000 2.309 884 L HA 0.657 5.013 4.340 0.027 0.000 0.261 884 L C -0.702 176.075 176.870 -0.155 0.000 1.021 884 L CA -1.155 53.610 54.840 -0.126 0.000 0.823 884 L CB 2.471 44.538 42.059 0.014 0.000 1.366 884 L HN 0.804 nan 8.230 nan 0.000 0.423 885 N N 0.348 118.986 118.700 -0.103 0.000 2.610 885 N HA 0.710 5.466 4.740 0.027 0.000 0.264 885 N C -1.247 174.283 175.510 0.033 0.000 1.348 885 N CA -0.622 52.402 53.050 -0.042 0.000 0.819 885 N CB 2.209 40.695 38.487 -0.002 0.000 1.521 885 N HN 0.851 nan 8.380 nan 0.000 0.497 886 C N -1.548 117.789 119.300 0.061 0.000 3.307 886 C HA 0.594 5.071 4.460 0.027 0.000 0.333 886 C C -1.212 173.591 174.990 -0.313 0.000 1.291 886 C CA -0.849 58.145 59.018 -0.040 0.000 1.273 886 C CB 0.997 28.739 27.740 0.004 0.000 1.580 886 C HN 0.865 nan 8.230 nan 0.000 0.481 887 Q N 1.556 120.934 119.800 -0.703 0.000 2.372 887 Q HA 0.652 5.009 4.340 0.027 0.000 0.259 887 Q C -1.045 174.645 176.000 -0.517 0.000 0.993 887 Q CA -0.427 54.704 55.803 -1.120 0.000 0.854 887 Q CB 0.871 28.575 28.738 -1.723 0.000 1.231 887 Q HN 0.782 nan 8.270 nan 0.000 0.462 888 L N 2.567 123.593 121.223 -0.327 0.000 2.417 888 L HA 0.282 4.638 4.340 0.027 0.000 0.268 888 L C 1.217 178.015 176.870 -0.120 0.000 1.158 888 L CA -0.207 54.566 54.840 -0.111 0.000 0.819 888 L CB 0.878 42.979 42.059 0.070 0.000 1.112 888 L HN 0.815 nan 8.230 nan 0.000 0.458 889 A N 2.043 124.821 122.820 -0.069 0.000 2.015 889 A HA -0.113 4.224 4.320 0.027 0.000 0.219 889 A C 1.056 178.622 177.584 -0.029 0.000 1.163 889 A CA 0.721 52.713 52.037 -0.075 0.000 0.646 889 A CB -0.262 18.688 19.000 -0.082 0.000 0.806 889 A HN 0.795 nan 8.150 nan 0.000 0.448 890 Q N -0.368 119.448 119.800 0.028 0.000 2.259 890 Q HA 0.489 4.846 4.340 0.027 0.000 0.246 890 Q C -1.284 174.757 176.000 0.068 0.000 0.920 890 Q CA -0.188 55.631 55.803 0.026 0.000 0.895 890 Q CB 1.290 30.058 28.738 0.049 0.000 1.220 890 Q HN 0.090 nan 8.270 nan 0.000 0.439 891 V N 3.316 123.242 119.914 0.019 0.000 2.349 891 V HA 0.717 4.854 4.120 0.027 0.000 0.284 891 V C -0.501 175.576 176.094 -0.029 0.000 1.014 891 V CA -0.409 61.931 62.300 0.066 0.000 0.826 891 V CB 0.750 32.590 31.823 0.029 0.000 1.009 891 V HN 0.890 nan 8.190 nan 0.000 0.431 892 A N 3.274 126.018 122.820 -0.127 0.000 2.299 892 A HA 0.719 5.055 4.320 0.027 0.000 0.332 892 A C 0.752 178.333 177.584 -0.005 0.000 1.131 892 A CA -0.453 51.436 52.037 -0.247 0.000 0.844 892 A CB 1.095 19.697 19.000 -0.664 0.000 1.251 892 A HN 0.804 nan 8.150 nan 0.000 0.486 893 E N -0.108 120.088 120.200 -0.007 0.000 2.107 893 E HA -0.045 4.321 4.350 0.027 0.000 0.191 893 E C 0.247 176.918 176.600 0.119 0.000 0.982 893 E CA 0.874 57.308 56.400 0.057 0.000 0.809 893 E CB 0.149 29.866 29.700 0.029 0.000 0.756 893 E HN 0.438 nan 8.360 nan 0.000 0.459 894 R N 0.054 120.630 120.500 0.127 0.000 2.832 894 R HA 0.496 4.852 4.340 0.027 0.000 0.271 894 R C -0.890 175.591 176.300 0.301 0.000 0.996 894 R CA -0.899 55.310 56.100 0.180 0.000 0.977 894 R CB 1.665 32.041 30.300 0.126 0.000 1.168 894 R HN -0.163 nan 8.270 nan 0.000 0.482 895 V N 2.207 122.313 119.914 0.320 0.000 2.444 895 V HA 0.377 4.514 4.120 0.027 0.000 0.294 895 V C -0.240 176.130 176.094 0.459 0.000 1.022 895 V CA -0.919 61.609 62.300 0.380 0.000 0.850 895 V CB 1.780 33.771 31.823 0.279 0.000 0.992 895 V HN 0.649 nan 8.190 nan 0.000 0.426 896 N N 4.622 123.566 118.700 0.407 0.000 2.296 896 N HA 0.531 5.287 4.740 0.027 0.000 0.294 896 N C -1.379 174.383 175.510 0.420 0.000 1.033 896 N CA -0.445 52.815 53.050 0.350 0.000 0.839 896 N CB 2.747 41.331 38.487 0.162 0.000 1.395 896 N HN 0.810 nan 8.380 nan 0.000 0.479 897 W N 3.197 124.530 121.300 0.055 0.000 3.118 897 W HA 0.600 5.277 4.660 0.027 0.000 0.328 897 W C -2.055 174.421 176.519 -0.071 0.000 1.239 897 W CA -1.120 56.229 57.345 0.006 0.000 1.176 897 W CB 0.732 30.220 29.460 0.045 0.000 1.433 897 W HN 0.237 nan 8.180 nan 0.000 0.562 898 L N 4.034 125.220 121.223 -0.062 0.000 2.295 898 L HA 0.918 5.274 4.340 0.027 0.000 0.281 898 L C 0.002 176.692 176.870 -0.299 0.000 1.018 898 L CA 0.335 54.947 54.840 -0.378 0.000 0.841 898 L CB 0.650 42.566 42.059 -0.239 0.000 1.218 898 L HN 1.005 nan 8.230 nan 0.000 0.424 899 G N 3.764 112.229 108.800 -0.557 0.000 2.325 899 G HA2 0.212 4.188 3.960 0.027 0.000 0.295 899 G HA3 0.212 4.188 3.960 0.027 0.000 0.295 899 G C -1.714 173.226 174.900 0.067 0.000 1.274 899 G CA -1.053 43.993 45.100 -0.088 0.000 0.857 899 G HN 0.455 nan 8.290 nan 0.000 0.499 900 L N 0.828 122.222 121.223 0.284 0.000 2.397 900 L HA 0.640 4.996 4.340 0.027 0.000 0.271 900 L C 1.086 178.079 176.870 0.206 0.000 1.148 900 L CA 0.734 55.704 54.840 0.216 0.000 0.825 900 L CB 0.846 42.980 42.059 0.126 0.000 1.117 900 L HN 1.222 nan 8.230 nan 0.000 0.456 901 G N 2.438 111.150 108.800 -0.146 0.000 2.341 901 G HA2 0.220 4.196 3.960 0.027 0.000 0.299 901 G HA3 0.220 4.196 3.960 0.027 0.000 0.299 901 G C -2.760 171.346 174.900 -1.323 0.000 1.274 901 G CA -0.282 44.414 45.100 -0.673 0.000 0.853 901 G HN 0.318 nan 8.290 nan 0.000 0.493 902 P HA 0.092 nan 4.420 nan 0.000 0.235 902 P C 0.433 177.550 177.300 -0.305 0.000 1.177 902 P CA 0.608 63.075 63.100 -1.054 0.000 0.785 902 P CB 0.470 31.669 31.700 -0.836 0.000 0.885 903 Q N 0.471 120.080 119.800 -0.318 0.000 2.249 903 Q HA 0.166 4.522 4.340 0.027 0.000 0.226 903 Q C 0.331 176.224 176.000 -0.180 0.000 0.983 903 Q CA -0.693 54.997 55.803 -0.188 0.000 0.930 903 Q CB 0.778 29.421 28.738 -0.158 0.000 1.193 903 Q HN 0.121 nan 8.270 nan 0.000 0.508 904 E N 1.329 121.429 120.200 -0.167 0.000 2.568 904 E HA -0.132 4.235 4.350 0.027 0.000 0.262 904 E C -1.106 175.413 176.600 -0.135 0.000 0.961 904 E CA 0.355 56.645 56.400 -0.184 0.000 0.945 904 E CB 0.243 29.902 29.700 -0.067 0.000 0.924 904 E HN 0.597 nan 8.360 nan 0.000 0.467 905 N N 2.622 121.171 118.700 -0.250 0.000 2.308 905 N HA 0.341 5.097 4.740 0.027 0.000 0.283 905 N C -1.883 173.399 175.510 -0.379 0.000 1.105 905 N CA -0.675 52.273 53.050 -0.170 0.000 0.840 905 N CB 0.763 39.171 38.487 -0.132 0.000 1.633 905 N HN 0.245 nan 8.380 nan 0.000 0.476 906 Y N -0.099 120.107 120.300 -0.157 0.000 2.602 906 Y HA 0.504 5.071 4.550 0.028 0.000 0.342 906 Y C -1.706 174.114 175.900 -0.133 0.000 1.029 906 Y CA -2.043 55.951 58.100 -0.178 0.000 1.080 906 Y CB 1.978 40.329 38.460 -0.181 0.000 1.284 906 Y HN 0.437 nan 8.280 nan 0.000 0.485 907 P HA -0.187 nan 4.420 nan 0.000 0.216 907 P C 0.477 177.641 177.300 -0.228 0.000 1.154 907 P CA 2.220 65.342 63.100 0.036 0.000 0.865 907 P CB 0.211 32.045 31.700 0.223 0.000 0.789 908 D N -2.216 117.838 120.400 -0.577 0.000 2.328 908 D HA -0.007 4.650 4.640 0.027 0.000 0.221 908 D C 0.705 176.844 176.300 -0.267 0.000 1.072 908 D CA 0.119 53.572 54.000 -0.911 0.000 0.850 908 D CB -0.228 39.821 40.800 -1.252 0.000 0.922 908 D HN 0.134 nan 8.370 nan 0.000 0.516 909 R N 0.970 121.416 120.500 -0.090 0.000 2.684 909 R HA 0.187 4.543 4.340 0.027 0.000 0.252 909 R C -0.587 175.739 176.300 0.044 0.000 1.628 909 R CA -0.162 55.948 56.100 0.017 0.000 1.622 909 R CB 0.051 30.365 30.300 0.024 0.000 1.418 909 R HN 0.092 nan 8.270 nan 0.000 0.697 910 L N -1.795 119.462 121.223 0.056 0.000 3.259 910 L HA 0.350 4.707 4.340 0.027 0.000 0.292 910 L C 1.370 178.299 176.870 0.099 0.000 1.219 910 L CA 0.051 54.926 54.840 0.057 0.000 1.035 910 L CB 0.248 42.329 42.059 0.037 0.000 1.424 910 L HN 0.089 nan 8.230 nan 0.000 0.603 911 T N -2.574 112.068 114.554 0.147 0.000 2.867 911 T HA -0.002 4.365 4.350 0.027 0.000 0.268 911 T C 1.820 176.583 174.700 0.105 0.000 1.057 911 T CA 1.297 63.515 62.100 0.196 0.000 1.136 911 T CB -0.343 68.698 68.868 0.288 0.000 0.874 911 T HN 0.373 nan 8.240 nan 0.000 0.466 912 A N 1.752 124.636 122.820 0.107 0.000 2.066 912 A HA 0.617 4.954 4.320 0.027 0.000 0.218 912 A C 1.655 179.311 177.584 0.119 0.000 1.157 912 A CA 0.590 52.637 52.037 0.017 0.000 0.670 912 A CB -1.024 18.130 19.000 0.256 0.000 0.804 912 A HN 0.855 nan 8.150 nan 0.000 0.453 913 A N -1.147 121.697 122.820 0.040 0.000 2.425 913 A HA 0.435 4.771 4.320 0.027 0.000 0.242 913 A C 0.047 177.649 177.584 0.029 0.000 1.077 913 A CA 0.014 52.033 52.037 -0.030 0.000 0.781 913 A CB -0.135 18.839 19.000 -0.043 0.000 1.020 913 A HN 0.496 nan 8.150 nan 0.000 0.494 914 C N 0.492 119.802 119.300 0.017 0.000 2.561 914 C HA 0.542 5.018 4.460 0.027 0.000 0.319 914 C C -0.158 174.941 174.990 0.181 0.000 1.198 914 C CA -0.493 58.595 59.018 0.117 0.000 1.665 914 C CB 0.863 28.695 27.740 0.154 0.000 2.258 914 C HN 0.789 nan 8.230 nan 0.000 0.493 915 F N 3.730 123.526 119.950 -0.258 0.000 2.444 915 F HA 0.480 5.023 4.527 0.027 0.000 0.360 915 F C 0.361 175.821 175.800 -0.567 0.000 1.106 915 F CA 1.193 58.878 58.000 -0.525 0.000 1.170 915 F CB -0.048 38.097 39.000 -1.424 0.000 1.113 915 F HN 0.617 nan 8.300 nan 0.000 0.521 916 D N 3.340 123.119 120.400 -1.034 0.000 2.809 916 D HA 0.173 4.829 4.640 0.027 0.000 0.336 916 D C -1.665 173.728 176.300 -1.511 0.000 1.367 916 D CA -0.745 52.540 54.000 -1.191 0.000 0.815 916 D CB 1.508 41.502 40.800 -1.344 0.000 1.381 916 D HN 0.465 nan 8.370 nan 0.000 0.471 917 R N 0.689 120.406 120.500 -1.306 0.000 2.207 917 R HA 0.523 4.880 4.340 0.027 0.000 0.334 917 R C -1.367 174.188 176.300 -1.242 0.000 1.013 917 R CA -0.163 55.317 56.100 -1.034 0.000 0.858 917 R CB 0.275 30.214 30.300 -0.602 0.000 1.094 917 R HN 0.296 nan 8.270 nan 0.000 0.457 918 W N 2.669 123.462 121.300 -0.845 0.000 2.706 918 W HA 0.422 5.099 4.660 0.028 0.000 0.346 918 W C -0.510 175.634 176.519 -0.626 0.000 1.071 918 W CA -0.727 56.073 57.345 -0.908 0.000 1.206 918 W CB 1.853 30.265 29.460 -1.747 0.000 1.413 918 W HN 0.384 nan 8.180 nan 0.000 0.542 919 D N 2.677 123.043 120.400 -0.057 0.000 2.763 919 D HA 0.414 5.071 4.640 0.027 0.000 0.235 919 D C -1.568 174.831 176.300 0.164 0.000 1.334 919 D CA -0.156 53.900 54.000 0.093 0.000 0.950 919 D CB 1.122 41.938 40.800 0.025 0.000 1.433 919 D HN 0.365 nan 8.370 nan 0.000 0.580 920 L N 3.196 124.590 121.223 0.285 0.000 2.350 920 L HA 0.571 4.927 4.340 0.027 0.000 0.260 920 L C -2.245 174.741 176.870 0.194 0.000 1.015 920 L CA -2.133 52.844 54.840 0.229 0.000 0.821 920 L CB 2.677 44.913 42.059 0.294 0.000 1.370 920 L HN 0.188 nan 8.230 nan 0.000 0.416 921 P HA 0.010 nan 4.420 nan 0.000 0.269 921 P C 0.566 177.946 177.300 0.133 0.000 1.215 921 P CA -0.342 62.831 63.100 0.121 0.000 0.780 921 P CB 0.989 32.740 31.700 0.084 0.000 0.898 922 L N 3.274 124.582 121.223 0.141 0.000 2.043 922 L HA -0.240 4.116 4.340 0.027 0.000 0.212 922 L C 2.285 179.206 176.870 0.085 0.000 1.075 922 L CA 2.741 57.654 54.840 0.122 0.000 0.752 922 L CB -1.440 40.707 42.059 0.146 0.000 0.891 922 L HN 0.464 nan 8.230 nan 0.000 0.432 923 S N -1.990 113.763 115.700 0.087 0.000 2.469 923 S HA -0.148 4.338 4.470 0.027 0.000 0.238 923 S C 1.528 176.200 174.600 0.119 0.000 0.998 923 S CA 1.016 59.283 58.200 0.111 0.000 0.957 923 S CB -0.721 62.545 63.200 0.109 0.000 0.764 923 S HN 0.519 nan 8.310 nan 0.000 0.514 924 D N 1.226 121.673 120.400 0.079 0.000 2.363 924 D HA 0.106 4.762 4.640 0.027 0.000 0.220 924 D C 1.205 177.513 176.300 0.014 0.000 0.994 924 D CA 0.561 54.585 54.000 0.041 0.000 0.890 924 D CB -0.107 40.722 40.800 0.049 0.000 0.906 924 D HN 0.407 nan 8.370 nan 0.000 0.530 925 M N -0.365 119.253 119.600 0.030 0.000 2.563 925 M HA 0.053 4.550 4.480 0.027 0.000 0.231 925 M C -0.034 176.273 176.300 0.012 0.000 1.136 925 M CA 0.011 55.286 55.300 -0.042 0.000 1.026 925 M CB -0.719 31.837 32.600 -0.074 0.000 1.597 925 M HN -0.047 nan 8.290 nan 0.000 0.495 926 Y N -0.070 120.197 120.300 -0.054 0.000 2.376 926 Y HA 0.510 5.077 4.550 0.028 0.000 0.340 926 Y C -0.849 175.023 175.900 -0.046 0.000 0.965 926 Y CA -1.066 57.026 58.100 -0.012 0.000 1.078 926 Y CB 1.344 39.858 38.460 0.089 0.000 1.193 926 Y HN -0.153 nan 8.280 nan 0.000 0.452 927 T N 9.061 123.253 114.554 -0.604 0.000 2.749 927 T HA 0.298 4.664 4.350 0.027 0.000 0.287 927 T C -2.668 171.378 174.700 -1.090 0.000 0.970 927 T CA -1.485 60.177 62.100 -0.730 0.000 0.980 927 T CB 1.090 69.571 68.868 -0.646 0.000 0.924 927 T HN 0.463 nan 8.240 nan 0.000 0.456 928 P HA 0.145 nan 4.420 nan 0.000 0.218 928 P C -0.650 176.624 177.300 -0.042 0.000 1.793 928 P CA -0.527 62.189 63.100 -0.640 0.000 0.941 928 P CB -0.612 30.843 31.700 -0.409 0.000 1.919 929 Y N -0.167 120.179 120.300 0.077 0.000 2.805 929 Y HA -0.118 4.449 4.550 0.027 0.000 0.337 929 Y C 2.292 178.315 175.900 0.205 0.000 1.252 929 Y CA 0.138 58.355 58.100 0.194 0.000 1.515 929 Y CB 0.070 38.524 38.460 -0.010 0.000 1.305 929 Y HN -0.071 nan 8.280 nan 0.000 0.600 930 V N 3.098 123.298 119.914 0.476 0.000 2.332 930 V HA -0.285 3.851 4.120 0.027 0.000 0.248 930 V C 0.614 176.885 176.094 0.295 0.000 1.055 930 V CA 1.428 63.956 62.300 0.380 0.000 1.038 930 V CB -0.612 31.459 31.823 0.414 0.000 0.651 930 V HN 0.606 nan 8.190 nan 0.000 0.450 931 F N 3.080 123.075 119.950 0.076 0.000 2.371 931 F HA 0.516 5.060 4.527 0.028 0.000 0.363 931 F C -2.529 173.273 175.800 0.003 0.000 1.122 931 F CA -3.404 54.574 58.000 -0.036 0.000 1.129 931 F CB 0.823 39.672 39.000 -0.253 0.000 1.173 931 F HN -0.012 nan 8.300 nan 0.000 0.489 932 P HA 0.314 nan 4.420 nan 0.000 0.275 932 P C -1.126 175.855 177.300 -0.531 0.000 1.228 932 P CA -0.046 62.820 63.100 -0.390 0.000 0.786 932 P CB 1.407 32.915 31.700 -0.320 0.000 0.927 933 S N -0.085 115.494 115.700 -0.201 0.000 2.703 933 S HA 0.451 4.938 4.470 0.027 0.000 0.273 933 S C -0.804 173.783 174.600 -0.021 0.000 1.178 933 S CA -0.942 57.177 58.200 -0.135 0.000 0.838 933 S CB 0.373 63.513 63.200 -0.101 0.000 1.178 933 S HN 0.331 nan 8.310 nan 0.000 0.494 934 E N 1.159 121.357 120.200 -0.004 0.000 2.502 934 E HA 0.346 4.712 4.350 0.027 0.000 0.261 934 E C -0.217 176.437 176.600 0.089 0.000 0.974 934 E CA 0.826 57.255 56.400 0.049 0.000 0.936 934 E CB -0.233 29.518 29.700 0.085 0.000 0.926 934 E HN 0.793 nan 8.360 nan 0.000 0.459 935 N N 1.505 120.299 118.700 0.156 0.000 2.961 935 N HA 0.493 5.250 4.740 0.027 0.000 0.245 935 N C 0.128 175.708 175.510 0.117 0.000 1.404 935 N CA -0.557 52.631 53.050 0.230 0.000 0.880 935 N CB 1.048 39.686 38.487 0.251 0.000 1.461 935 N HN 0.729 nan 8.380 nan 0.000 0.510 936 G N -1.215 107.619 108.800 0.057 0.000 2.179 936 G HA2 -0.254 3.723 3.960 0.027 0.000 0.260 936 G HA3 -0.254 3.723 3.960 0.027 0.000 0.260 936 G C -0.260 174.390 174.900 -0.417 0.000 0.977 936 G CA 0.293 45.300 45.100 -0.156 0.000 0.641 936 G HN 0.702 nan 8.290 nan 0.000 0.533 937 L N 0.259 121.160 121.223 -0.538 0.000 2.483 937 L HA 0.667 5.024 4.340 0.027 0.000 0.276 937 L C 0.669 176.963 176.870 -0.961 0.000 1.213 937 L CA 0.409 54.681 54.840 -0.947 0.000 0.843 937 L CB 0.539 41.699 42.059 -1.500 0.000 1.107 937 L HN 0.257 nan 8.230 nan 0.000 0.487 938 R N 2.516 122.363 120.500 -1.089 0.000 2.561 938 R HA 0.504 4.861 4.340 0.027 0.000 0.297 938 R C -0.982 174.969 176.300 -0.583 0.000 0.969 938 R CA -0.273 55.323 56.100 -0.841 0.000 0.879 938 R CB 1.432 31.061 30.300 -1.119 0.000 1.178 938 R HN 0.697 nan 8.270 nan 0.000 0.445 939 C N 0.333 119.439 119.300 -0.323 0.000 2.380 939 C HA 0.704 5.180 4.460 0.027 0.000 0.393 939 C C 1.299 176.267 174.990 -0.037 0.000 1.284 939 C CA 0.088 58.994 59.018 -0.188 0.000 2.033 939 C CB 1.310 28.963 27.740 -0.145 0.000 2.165 939 C HN 1.025 nan 8.230 nan 0.000 0.540 940 G N 1.697 110.490 108.800 -0.012 0.000 2.341 940 G HA2 -0.190 3.787 3.960 0.027 0.000 0.292 940 G HA3 -0.190 3.787 3.960 0.027 0.000 0.292 940 G C -0.040 174.926 174.900 0.110 0.000 1.021 940 G CA 0.631 45.779 45.100 0.080 0.000 0.905 940 G HN 0.798 nan 8.290 nan 0.000 0.508 941 T N 0.013 114.496 114.554 -0.117 0.000 2.799 941 T HA 0.532 4.899 4.350 0.027 0.000 0.286 941 T C 1.277 175.645 174.700 -0.553 0.000 0.973 941 T CA -0.618 61.345 62.100 -0.229 0.000 1.035 941 T CB 1.448 70.203 68.868 -0.187 0.000 0.932 941 T HN 0.209 nan 8.240 nan 0.000 0.469 942 R N 1.475 121.879 120.500 -0.160 0.000 2.307 942 R HA 0.298 4.654 4.340 0.027 0.000 0.200 942 R C 0.492 176.822 176.300 0.049 0.000 0.893 942 R CA 0.155 56.233 56.100 -0.038 0.000 1.042 942 R CB 0.401 30.811 30.300 0.184 0.000 1.059 942 R HN 0.710 nan 8.270 nan 0.000 0.530 943 E N 0.491 120.726 120.200 0.059 0.000 2.335 943 E HA 0.366 4.732 4.350 0.027 0.000 0.280 943 E C -1.868 174.867 176.600 0.226 0.000 0.918 943 E CA -0.698 55.821 56.400 0.197 0.000 0.765 943 E CB 1.533 31.314 29.700 0.135 0.000 1.218 943 E HN -0.082 nan 8.360 nan 0.000 0.425 944 L N 3.856 125.270 121.223 0.320 0.000 2.410 944 L HA 0.617 4.973 4.340 0.027 0.000 0.270 944 L C -1.908 175.148 176.870 0.309 0.000 0.983 944 L CA -0.381 54.575 54.840 0.193 0.000 0.822 944 L CB 1.905 43.913 42.059 -0.084 0.000 1.285 944 L HN 0.502 nan 8.230 nan 0.000 0.409 945 N N 4.168 123.026 118.700 0.264 0.000 2.296 945 N HA 0.461 5.218 4.740 0.027 0.000 0.294 945 N C -2.042 173.695 175.510 0.379 0.000 1.033 945 N CA -0.272 52.937 53.050 0.265 0.000 0.839 945 N CB 2.361 40.945 38.487 0.162 0.000 1.395 945 N HN 0.634 nan 8.380 nan 0.000 0.479 946 Y N 0.919 121.359 120.300 0.232 0.000 2.313 946 Y HA 0.386 4.953 4.550 0.028 0.000 0.320 946 Y C 0.548 176.554 175.900 0.177 0.000 1.171 946 Y CA 0.229 58.464 58.100 0.224 0.000 1.093 946 Y CB 0.589 39.239 38.460 0.317 0.000 1.224 946 Y HN 0.850 nan 8.280 nan 0.000 0.421 947 G N 6.364 114.972 108.800 -0.319 0.000 2.583 947 G HA2 -0.293 3.684 3.960 0.027 0.000 0.292 947 G HA3 -0.293 3.684 3.960 0.027 0.000 0.292 947 G C -1.822 172.952 174.900 -0.210 0.000 1.203 947 G CA 0.124 45.034 45.100 -0.316 0.000 0.987 947 G HN 0.621 nan 8.290 nan 0.000 0.554 948 P HA 0.190 nan 4.420 nan 0.000 0.255 948 P C 0.100 177.172 177.300 -0.381 0.000 1.248 948 P CA 0.520 63.419 63.100 -0.334 0.000 0.807 948 P CB 0.065 31.520 31.700 -0.407 0.000 1.150 949 H N 0.459 119.446 119.070 -0.140 0.000 2.472 949 H HA 0.465 5.037 4.556 0.028 0.000 0.335 949 H C -0.129 174.909 175.328 -0.485 0.000 1.136 949 H CA -0.025 55.801 56.048 -0.369 0.000 1.264 949 H CB 1.739 31.045 29.762 -0.760 0.000 1.486 949 H HN 0.075 nan 8.280 nan 0.000 0.517 950 Q N 2.351 121.883 119.800 -0.447 0.000 2.305 950 Q HA 0.262 4.619 4.340 0.027 0.000 0.271 950 Q C -1.577 174.165 176.000 -0.429 0.000 1.046 950 Q CA -0.724 54.926 55.803 -0.254 0.000 0.798 950 Q CB 2.115 30.828 28.738 -0.041 0.000 1.286 950 Q HN 0.566 nan 8.270 nan 0.000 0.435 951 W N 3.603 124.852 121.300 -0.085 0.000 2.702 951 W HA 0.584 5.260 4.660 0.028 0.000 0.331 951 W C -0.277 176.319 176.519 0.129 0.000 1.049 951 W CA -0.753 56.519 57.345 -0.123 0.000 1.230 951 W CB 2.045 31.232 29.460 -0.456 0.000 1.408 951 W HN 0.539 nan 8.180 nan 0.000 0.492 952 R N 0.641 121.381 120.500 0.400 0.000 2.750 952 R HA 0.791 5.148 4.340 0.027 0.000 0.281 952 R C 0.184 176.764 176.300 0.467 0.000 0.972 952 R CA -0.476 55.873 56.100 0.416 0.000 0.912 952 R CB 2.403 32.855 30.300 0.254 0.000 1.187 952 R HN 0.756 nan 8.270 nan 0.000 0.464 953 G N 0.682 109.751 108.800 0.448 0.000 2.564 953 G HA2 0.006 3.982 3.960 0.027 0.000 0.139 953 G HA3 0.006 3.982 3.960 0.027 0.000 0.139 953 G C -1.766 173.283 174.900 0.248 0.000 1.147 953 G CA -0.326 45.011 45.100 0.395 0.000 1.031 953 G HN 0.502 nan 8.290 nan 0.000 0.482 954 D N 0.001 120.550 120.400 0.247 0.000 2.411 954 D HA 0.573 5.230 4.640 0.027 0.000 0.239 954 D C -0.696 175.612 176.300 0.013 0.000 1.307 954 D CA -0.483 53.535 54.000 0.029 0.000 0.930 954 D CB 0.099 40.947 40.800 0.079 0.000 1.395 954 D HN 0.569 nan 8.370 nan 0.000 0.536 955 F N -0.291 119.653 119.950 -0.010 0.000 2.706 955 F HA 0.748 5.292 4.527 0.028 0.000 0.328 955 F C -0.987 174.764 175.800 -0.081 0.000 1.123 955 F CA -1.010 56.919 58.000 -0.118 0.000 0.978 955 F CB 0.759 39.690 39.000 -0.115 0.000 1.404 955 F HN -0.163 nan 8.300 nan 0.000 0.497 956 Q N 1.468 121.341 119.800 0.121 0.000 2.348 956 Q HA 0.632 4.989 4.340 0.027 0.000 0.271 956 Q C -1.268 174.797 176.000 0.109 0.000 1.067 956 Q CA -0.517 55.271 55.803 -0.025 0.000 0.839 956 Q CB 2.687 31.309 28.738 -0.193 0.000 1.354 956 Q HN 0.830 nan 8.270 nan 0.000 0.447 957 F N -1.147 118.686 119.950 -0.194 0.000 2.662 957 F HA 0.761 5.305 4.527 0.028 0.000 0.312 957 F C -1.401 174.182 175.800 -0.362 0.000 1.113 957 F CA -1.159 56.686 58.000 -0.259 0.000 0.951 957 F CB 1.445 40.306 39.000 -0.233 0.000 1.344 957 F HN 0.569 nan 8.300 nan 0.000 0.462 958 N N 1.219 119.723 118.700 -0.327 0.000 2.357 958 N HA 0.750 5.506 4.740 0.027 0.000 0.284 958 N C -2.100 173.345 175.510 -0.109 0.000 1.236 958 N CA -0.749 52.095 53.050 -0.342 0.000 0.774 958 N CB 2.615 40.918 38.487 -0.306 0.000 1.534 958 N HN 1.129 nan 8.380 nan 0.000 0.478 959 I N 0.255 120.753 120.570 -0.119 0.000 2.680 959 I HA 0.659 4.845 4.170 0.027 0.000 0.291 959 I C -1.465 174.569 176.117 -0.139 0.000 1.244 959 I CA 0.075 61.278 61.300 -0.161 0.000 1.042 959 I CB 1.356 39.196 38.000 -0.267 0.000 1.277 959 I HN 1.083 nan 8.210 nan 0.000 0.423 960 S N 6.243 121.868 115.700 -0.125 0.000 2.669 960 S HA 0.497 4.983 4.470 0.027 0.000 0.266 960 S C -0.410 174.073 174.600 -0.195 0.000 1.149 960 S CA -0.974 57.141 58.200 -0.142 0.000 0.842 960 S CB 1.590 64.763 63.200 -0.045 0.000 1.160 960 S HN 0.634 nan 8.310 nan 0.000 0.487 961 R N -0.105 120.102 120.500 -0.489 0.000 2.356 961 R HA 0.255 4.612 4.340 0.027 0.000 0.234 961 R C -0.982 174.965 176.300 -0.589 0.000 0.929 961 R CA 0.269 56.067 56.100 -0.503 0.000 1.084 961 R CB -0.809 29.107 30.300 -0.640 0.000 1.105 961 R HN 0.621 nan 8.270 nan 0.000 0.515 962 Y N 0.269 120.524 120.300 -0.075 0.000 2.341 962 Y HA 0.229 4.795 4.550 0.028 0.000 0.338 962 Y C 0.768 176.469 175.900 -0.330 0.000 0.965 962 Y CA -1.394 56.581 58.100 -0.209 0.000 1.108 962 Y CB 1.355 39.636 38.460 -0.299 0.000 1.180 962 Y HN -0.085 nan 8.280 nan 0.000 0.458 963 S N 1.781 117.173 115.700 -0.513 0.000 2.593 963 S HA 0.065 4.552 4.470 0.027 0.000 0.269 963 S C 0.945 175.216 174.600 -0.549 0.000 1.334 963 S CA -0.727 56.805 58.200 -1.112 0.000 1.015 963 S CB 1.072 63.422 63.200 -1.417 0.000 0.912 963 S HN 0.702 nan 8.310 nan 0.000 0.541 964 Q N 0.733 120.218 119.800 -0.526 0.000 2.135 964 Q HA -0.217 4.140 4.340 0.027 0.000 0.204 964 Q C 2.194 178.053 176.000 -0.234 0.000 0.981 964 Q CA 1.921 57.555 55.803 -0.281 0.000 0.856 964 Q CB -0.559 28.047 28.738 -0.220 0.000 0.902 964 Q HN 0.964 nan 8.270 nan 0.000 0.425 965 Q N 0.525 120.148 119.800 -0.294 0.000 2.084 965 Q HA -0.215 4.142 4.340 0.027 0.000 0.202 965 Q C 2.132 178.031 176.000 -0.169 0.000 0.978 965 Q CA 1.496 57.186 55.803 -0.188 0.000 0.844 965 Q CB 0.030 28.659 28.738 -0.182 0.000 0.898 965 Q HN 0.415 nan 8.270 nan 0.000 0.426 966 Q N 0.022 119.696 119.800 -0.210 0.000 2.084 966 Q HA -0.164 4.193 4.340 0.027 0.000 0.202 966 Q C 2.196 178.083 176.000 -0.187 0.000 0.978 966 Q CA 1.279 56.977 55.803 -0.174 0.000 0.844 966 Q CB -0.061 28.556 28.738 -0.202 0.000 0.898 966 Q HN 0.472 nan 8.270 nan 0.000 0.426 967 L N 0.612 121.716 121.223 -0.199 0.000 2.083 967 L HA -0.211 4.145 4.340 0.027 0.000 0.209 967 L C 2.740 179.487 176.870 -0.206 0.000 1.083 967 L CA 1.481 56.196 54.840 -0.207 0.000 0.752 967 L CB -0.536 41.431 42.059 -0.154 0.000 0.899 967 L HN 0.477 nan 8.230 nan 0.000 0.433 968 M N -1.109 118.400 119.600 -0.152 0.000 2.394 968 M HA -0.114 4.383 4.480 0.027 0.000 0.264 968 M C 1.384 177.619 176.300 -0.109 0.000 1.073 968 M CA 1.670 56.897 55.300 -0.122 0.000 1.111 968 M CB -0.215 32.326 32.600 -0.098 0.000 1.401 968 M HN 0.130 nan 8.290 nan 0.000 0.448 969 E N 0.692 120.826 120.200 -0.109 0.000 2.472 969 E HA 0.114 4.481 4.350 0.027 0.000 0.196 969 E C -0.357 176.203 176.600 -0.067 0.000 1.033 969 E CA 0.116 56.474 56.400 -0.070 0.000 0.886 969 E CB 0.606 30.272 29.700 -0.056 0.000 0.944 969 E HN 0.410 nan 8.360 nan 0.000 0.492 970 T N 0.120 114.600 114.554 -0.123 0.000 2.797 970 T HA 0.133 4.499 4.350 0.027 0.000 0.279 970 T C 0.875 175.486 174.700 -0.149 0.000 0.991 970 T CA -0.515 61.512 62.100 -0.122 0.000 0.979 970 T CB 1.682 70.442 68.868 -0.180 0.000 0.943 970 T HN 0.003 nan 8.240 nan 0.000 0.444 971 S N 1.411 117.124 115.700 0.022 0.000 2.524 971 S HA 0.174 4.661 4.470 0.027 0.000 0.215 971 S C 0.123 174.810 174.600 0.146 0.000 0.986 971 S CA -0.060 58.237 58.200 0.161 0.000 0.911 971 S CB -0.145 63.307 63.200 0.421 0.000 0.805 971 S HN 0.725 nan 8.310 nan 0.000 0.501 972 H N 0.982 120.084 119.070 0.052 0.000 2.782 972 H HA 0.466 5.039 4.556 0.028 0.000 0.347 972 H C 0.915 176.228 175.328 -0.025 0.000 1.038 972 H CA -0.839 55.286 56.048 0.127 0.000 1.255 972 H CB 1.505 31.325 29.762 0.097 0.000 1.623 972 H HN 0.123 nan 8.280 nan 0.000 0.525 973 R N 2.118 122.731 120.500 0.189 0.000 2.159 973 R HA -0.185 4.171 4.340 0.027 0.000 0.237 973 R C 1.164 177.482 176.300 0.029 0.000 1.131 973 R CA 1.904 58.051 56.100 0.078 0.000 0.982 973 R CB -0.439 29.953 30.300 0.155 0.000 0.868 973 R HN 0.761 nan 8.270 nan 0.000 0.453 974 H N 0.976 120.061 119.070 0.024 0.000 2.545 974 H HA 0.029 4.602 4.556 0.027 0.000 0.282 974 H C 1.453 176.711 175.328 -0.117 0.000 1.020 974 H CA 0.770 56.790 56.048 -0.047 0.000 1.243 974 H CB -0.127 29.594 29.762 -0.068 0.000 1.377 974 H HN 0.324 nan 8.280 nan 0.000 0.581 975 L N 0.788 121.647 121.223 -0.606 0.000 2.592 975 L HA 0.215 4.572 4.340 0.027 0.000 0.227 975 L C 0.745 177.481 176.870 -0.223 0.000 1.127 975 L CA -0.160 54.389 54.840 -0.485 0.000 0.884 975 L CB 0.146 41.884 42.059 -0.536 0.000 1.065 975 L HN 0.043 nan 8.230 nan 0.000 0.457 976 L N 0.878 121.964 121.223 -0.229 0.000 2.439 976 L HA 0.123 4.480 4.340 0.027 0.000 0.269 976 L C 0.164 176.999 176.870 -0.059 0.000 1.179 976 L CA -0.010 54.672 54.840 -0.265 0.000 0.828 976 L CB 0.350 42.033 42.059 -0.626 0.000 1.106 976 L HN 0.207 nan 8.230 nan 0.000 0.467 977 H N 1.632 120.726 119.070 0.040 0.000 2.667 977 H HA 0.570 5.142 4.556 0.028 0.000 0.353 977 H C -0.866 174.587 175.328 0.207 0.000 1.072 977 H CA -1.216 54.895 56.048 0.105 0.000 1.214 977 H CB 1.302 31.080 29.762 0.027 0.000 1.600 977 H HN 0.679 nan 8.280 nan 0.000 0.527 978 A N 3.750 126.670 122.820 0.166 0.000 2.520 978 A HA 0.100 4.437 4.320 0.027 0.000 0.245 978 A C 0.345 177.970 177.584 0.067 0.000 1.072 978 A CA -0.126 51.870 52.037 -0.068 0.000 0.761 978 A CB -0.006 18.941 19.000 -0.088 0.000 1.004 978 A HN 0.840 nan 8.150 nan 0.000 0.499 979 E N 0.892 121.090 120.200 -0.005 0.000 2.280 979 E HA 0.222 4.589 4.350 0.027 0.000 0.261 979 E C 0.009 176.645 176.600 0.061 0.000 1.088 979 E CA -0.718 55.762 56.400 0.135 0.000 0.915 979 E CB 0.822 30.669 29.700 0.245 0.000 1.141 979 E HN 0.807 nan 8.360 nan 0.000 0.433 980 E N 0.416 120.652 120.200 0.059 0.000 2.398 980 E HA 0.213 4.579 4.350 0.027 0.000 0.263 980 E C 0.326 176.882 176.600 -0.074 0.000 1.046 980 E CA 0.532 56.928 56.400 -0.008 0.000 0.908 980 E CB 0.393 30.087 29.700 -0.009 0.000 0.963 980 E HN 0.667 nan 8.360 nan 0.000 0.431 981 G N 2.544 111.301 108.800 -0.072 0.000 2.645 981 G HA2 -0.220 3.756 3.960 0.027 0.000 0.239 981 G HA3 -0.220 3.756 3.960 0.027 0.000 0.239 981 G C -0.665 174.160 174.900 -0.125 0.000 1.331 981 G CA -0.117 44.917 45.100 -0.111 0.000 0.890 981 G HN 0.659 nan 8.290 nan 0.000 0.572 982 T N 0.208 114.656 114.554 -0.177 0.000 2.937 982 T HA 0.485 4.852 4.350 0.027 0.000 0.297 982 T C -0.794 173.748 174.700 -0.263 0.000 0.991 982 T CA -0.195 61.819 62.100 -0.143 0.000 0.990 982 T CB 1.228 70.099 68.868 0.005 0.000 0.991 982 T HN 0.577 nan 8.240 nan 0.000 0.440 983 W N 3.387 124.591 121.300 -0.160 0.000 2.311 983 W HA 0.581 5.258 4.660 0.028 0.000 0.310 983 W C -0.219 176.168 176.519 -0.219 0.000 1.274 983 W CA -0.655 56.594 57.345 -0.161 0.000 1.215 983 W CB 0.675 30.049 29.460 -0.143 0.000 1.227 983 W HN 0.361 nan 8.180 nan 0.000 0.523 984 L N 5.843 127.057 121.223 -0.015 0.000 2.333 984 L HA 0.501 4.857 4.340 0.027 0.000 0.280 984 L C -0.922 175.857 176.870 -0.152 0.000 1.004 984 L CA -0.535 54.182 54.840 -0.204 0.000 0.820 984 L CB 0.765 42.562 42.059 -0.436 0.000 1.247 984 L HN 0.321 nan 8.230 nan 0.000 0.416 985 N N 6.957 125.555 118.700 -0.170 0.000 2.407 985 N HA 0.471 5.227 4.740 0.027 0.000 0.277 985 N C -1.186 174.183 175.510 -0.235 0.000 0.995 985 N CA -0.263 52.682 53.050 -0.174 0.000 0.903 985 N CB 2.326 40.735 38.487 -0.130 0.000 1.218 985 N HN 0.554 nan 8.380 nan 0.000 0.487 986 I N 1.938 122.324 120.570 -0.307 0.000 2.382 986 I HA 0.222 4.408 4.170 0.027 0.000 0.285 986 I C -0.689 175.239 176.117 -0.314 0.000 1.007 986 I CA -0.607 60.473 61.300 -0.366 0.000 1.142 986 I CB 1.479 39.096 38.000 -0.639 0.000 1.289 986 I HN 0.174 nan 8.210 nan 0.000 0.453 987 D N 4.575 124.826 120.400 -0.248 0.000 2.192 987 D HA 0.275 4.931 4.640 0.027 0.000 0.246 987 D C 0.980 176.981 176.300 -0.499 0.000 1.042 987 D CA -0.229 53.558 54.000 -0.356 0.000 0.847 987 D CB 2.530 43.221 40.800 -0.183 0.000 1.186 987 D HN 0.680 nan 8.370 nan 0.000 0.461 988 G N 1.114 109.324 108.800 -0.985 0.000 2.403 988 G HA2 -0.022 3.955 3.960 0.027 0.000 0.216 988 G HA3 -0.022 3.955 3.960 0.027 0.000 0.216 988 G C 0.104 174.242 174.900 -1.271 0.000 1.154 988 G CA 0.532 44.928 45.100 -1.174 0.000 0.784 988 G HN 0.373 nan 8.290 nan 0.000 0.538 989 F N -1.837 117.915 119.950 -0.330 0.000 2.578 989 F HA 0.603 5.147 4.527 0.027 0.000 0.311 989 F C -0.519 175.175 175.800 -0.177 0.000 1.094 989 F CA -1.171 56.709 58.000 -0.199 0.000 0.923 989 F CB 2.166 40.970 39.000 -0.326 0.000 1.230 989 F HN 0.035 nan 8.300 nan 0.000 0.450 990 H N 2.136 121.207 119.070 0.002 0.000 2.771 990 H HA 0.530 5.103 4.556 0.027 0.000 0.361 990 H C -0.760 174.590 175.328 0.036 0.000 1.108 990 H CA -0.885 55.141 56.048 -0.038 0.000 1.201 990 H CB 1.821 31.540 29.762 -0.070 0.000 1.681 990 H HN 0.783 nan 8.280 nan 0.000 0.534 991 M N 3.437 122.974 119.600 -0.104 0.000 2.226 991 M HA 0.303 4.800 4.480 0.027 0.000 0.324 991 M C 0.466 176.877 176.300 0.186 0.000 1.112 991 M CA 0.317 55.636 55.300 0.033 0.000 1.176 991 M CB 0.411 32.934 32.600 -0.128 0.000 1.430 991 M HN 0.824 nan 8.290 nan 0.000 0.462 992 G N 2.333 111.223 108.800 0.151 0.000 2.699 992 G HA2 0.287 4.264 3.960 0.027 0.000 0.246 992 G HA3 0.287 4.264 3.960 0.027 0.000 0.246 992 G C 0.558 175.440 174.900 -0.029 0.000 1.219 992 G CA -0.326 44.794 45.100 0.034 0.000 0.866 992 G HN 0.971 nan 8.290 nan 0.000 0.572 993 I N -1.941 118.562 120.570 -0.111 0.000 3.854 993 I HA 0.433 4.619 4.170 0.027 0.000 0.312 993 I C 1.156 177.196 176.117 -0.129 0.000 1.273 993 I CA 0.408 61.601 61.300 -0.177 0.000 1.298 993 I CB -0.498 37.292 38.000 -0.350 0.000 1.071 993 I HN 0.951 nan 8.210 nan 0.000 0.428 994 G N 1.553 110.302 108.800 -0.086 0.000 2.698 994 G HA2 0.048 4.024 3.960 0.027 0.000 0.233 994 G HA3 0.048 4.024 3.960 0.027 0.000 0.233 994 G C 0.523 175.405 174.900 -0.030 0.000 1.352 994 G CA 0.066 45.151 45.100 -0.026 0.000 0.879 994 G HN 1.330 nan 8.290 nan 0.000 0.567 995 G N -2.403 106.395 108.800 -0.004 0.000 2.870 995 G HA2 0.025 4.002 3.960 0.027 0.000 0.216 995 G HA3 0.025 4.002 3.960 0.027 0.000 0.216 995 G C 0.649 175.594 174.900 0.076 0.000 0.973 995 G CA 0.956 46.061 45.100 0.009 0.000 0.807 995 G HN 0.933 nan 8.290 nan 0.000 0.573 996 D N 1.281 121.748 120.400 0.111 0.000 2.190 996 D HA 0.092 4.749 4.640 0.027 0.000 0.200 996 D C 1.044 177.368 176.300 0.041 0.000 0.992 996 D CA 2.101 56.228 54.000 0.212 0.000 0.854 996 D CB 0.143 41.081 40.800 0.230 0.000 0.936 996 D HN 0.791 nan 8.370 nan 0.000 0.462 997 D N -3.286 116.929 120.400 -0.309 0.000 2.643 997 D HA 0.343 4.999 4.640 0.027 0.000 0.283 997 D C -0.813 174.941 176.300 -0.910 0.000 1.242 997 D CA -0.738 52.640 54.000 -1.036 0.000 0.863 997 D CB 0.927 40.578 40.800 -1.914 0.000 1.382 997 D HN -0.309 nan 8.370 nan 0.000 0.444 998 S N -0.627 114.337 115.700 -1.228 0.000 2.624 998 S HA 0.257 4.743 4.470 0.027 0.000 0.246 998 S C -0.633 173.965 174.600 -0.004 0.000 1.072 998 S CA -0.670 57.350 58.200 -0.300 0.000 1.045 998 S CB -0.514 62.768 63.200 0.137 0.000 0.851 998 S HN 0.622 nan 8.310 nan 0.000 0.480 999 W N 0.502 121.741 121.300 -0.102 0.000 2.079 999 W HA 0.469 5.144 4.660 0.026 0.000 0.285 999 W C 0.063 176.529 176.519 -0.089 0.000 0.891 999 W CA -0.350 56.930 57.345 -0.107 0.000 1.308 999 W CB -0.415 28.901 29.460 -0.241 0.000 1.047 999 W HN 0.196 nan 8.180 nan 0.000 0.522 1000 S N -0.534 115.052 115.700 -0.190 0.000 2.541 1000 S HA 0.634 5.121 4.470 0.027 0.000 0.271 1000 S C -3.027 171.513 174.600 -0.099 0.000 1.133 1000 S CA -1.728 56.416 58.200 -0.093 0.000 0.876 1000 S CB 1.954 65.139 63.200 -0.024 0.000 1.105 1000 S HN -0.258 nan 8.310 nan 0.000 0.470 1001 P HA 0.139 nan 4.420 nan 0.000 0.262 1001 P C 0.404 177.751 177.300 0.080 0.000 1.182 1001 P CA 0.104 63.225 63.100 0.035 0.000 0.761 1001 P CB 0.573 32.187 31.700 -0.144 0.000 0.795 1002 S N 0.495 116.280 115.700 0.141 0.000 2.847 1002 S HA 0.139 4.625 4.470 0.027 0.000 0.254 1002 S C 0.141 174.827 174.600 0.143 0.000 1.039 1002 S CA -0.324 57.932 58.200 0.094 0.000 1.113 1002 S CB -0.280 62.921 63.200 0.002 0.000 1.092 1002 S HN 0.108 nan 8.310 nan 0.000 0.620 1003 V N 2.870 122.915 119.914 0.218 0.000 2.427 1003 V HA 0.372 4.508 4.120 0.027 0.000 0.268 1003 V C 0.810 177.058 176.094 0.257 0.000 1.046 1003 V CA -0.232 62.182 62.300 0.189 0.000 0.970 1003 V CB 0.855 32.728 31.823 0.084 0.000 1.001 1003 V HN 0.515 nan 8.190 nan 0.000 0.476 1004 S N 4.007 119.870 115.700 0.272 0.000 2.579 1004 S HA 0.314 4.800 4.470 0.027 0.000 0.275 1004 S C 1.567 176.310 174.600 0.237 0.000 1.345 1004 S CA 0.073 58.423 58.200 0.251 0.000 1.031 1004 S CB 1.164 64.537 63.200 0.288 0.000 0.892 1004 S HN 0.987 nan 8.310 nan 0.000 0.529 1005 A N 3.200 126.117 122.820 0.161 0.000 1.948 1005 A HA -0.152 4.184 4.320 0.027 0.000 0.220 1005 A C 1.990 179.604 177.584 0.051 0.000 1.177 1005 A CA 1.883 54.000 52.037 0.134 0.000 0.636 1005 A CB -0.642 18.417 19.000 0.097 0.000 0.815 1005 A HN 0.945 nan 8.150 nan 0.000 0.449 1006 E N -1.078 119.086 120.200 -0.060 0.000 2.418 1006 E HA -0.111 4.255 4.350 0.027 0.000 0.197 1006 E C 0.520 176.862 176.600 -0.430 0.000 1.026 1006 E CA 0.701 56.939 56.400 -0.271 0.000 0.862 1006 E CB -0.395 29.062 29.700 -0.404 0.000 0.799 1006 E HN 0.629 nan 8.360 nan 0.000 0.518 1007 F N 1.148 121.150 119.950 0.087 0.000 2.661 1007 F HA 0.304 4.847 4.527 0.027 0.000 0.306 1007 F C 0.691 176.532 175.800 0.068 0.000 1.094 1007 F CA -0.433 57.619 58.000 0.086 0.000 1.254 1007 F CB 0.468 39.518 39.000 0.083 0.000 1.040 1007 F HN -0.178 nan 8.300 nan 0.000 0.562 1008 Q N 0.976 120.886 119.800 0.184 0.000 2.230 1008 Q HA 0.426 4.782 4.340 0.027 0.000 0.248 1008 Q C -0.173 175.869 176.000 0.070 0.000 0.915 1008 Q CA -0.469 55.424 55.803 0.149 0.000 0.900 1008 Q CB 1.802 30.716 28.738 0.294 0.000 1.229 1008 Q HN 0.215 nan 8.270 nan 0.000 0.439 1009 L N 2.477 123.735 121.223 0.058 0.000 2.399 1009 L HA 0.117 4.474 4.340 0.027 0.000 0.257 1009 L C 0.555 177.411 176.870 -0.024 0.000 1.236 1009 L CA -0.054 54.808 54.840 0.036 0.000 1.144 1009 L CB -0.320 41.663 42.059 -0.127 0.000 1.379 1009 L HN 0.698 nan 8.230 nan 0.000 0.414 1010 S N -1.207 114.366 115.700 -0.212 0.000 2.554 1010 S HA 0.154 4.641 4.470 0.027 0.000 0.226 1010 S C 1.577 176.085 174.600 -0.155 0.000 0.980 1010 S CA 0.165 58.042 58.200 -0.537 0.000 0.939 1010 S CB 0.753 63.485 63.200 -0.780 0.000 0.832 1010 S HN 0.505 nan 8.310 nan 0.000 0.486 1011 A N 1.334 124.104 122.820 -0.083 0.000 2.168 1011 A HA 0.489 4.825 4.320 0.027 0.000 0.215 1011 A C 2.038 179.468 177.584 -0.255 0.000 1.152 1011 A CA 1.077 52.944 52.037 -0.283 0.000 0.716 1011 A CB -1.173 17.447 19.000 -0.634 0.000 0.794 1011 A HN 1.433 nan 8.150 nan 0.000 0.465 1012 G N -1.199 107.552 108.800 -0.081 0.000 2.812 1012 G HA2 -0.285 3.691 3.960 0.027 0.000 0.219 1012 G HA3 -0.285 3.691 3.960 0.027 0.000 0.219 1012 G C 0.433 175.321 174.900 -0.020 0.000 1.275 1012 G CA 0.358 45.457 45.100 -0.002 0.000 0.769 1012 G HN 0.678 nan 8.290 nan 0.000 0.527 1013 R N -0.510 119.857 120.500 -0.222 0.000 2.561 1013 R HA 0.694 5.051 4.340 0.027 0.000 0.297 1013 R C -1.596 174.455 176.300 -0.416 0.000 0.969 1013 R CA -0.597 55.419 56.100 -0.139 0.000 0.879 1013 R CB 1.627 31.884 30.300 -0.072 0.000 1.178 1013 R HN 0.241 nan 8.270 nan 0.000 0.445 1014 Y N 0.353 120.643 120.300 -0.015 0.000 2.477 1014 Y HA 0.356 4.922 4.550 0.027 0.000 0.347 1014 Y C -0.438 175.599 175.900 0.229 0.000 0.981 1014 Y CA -0.774 57.281 58.100 -0.074 0.000 1.033 1014 Y CB 2.124 40.425 38.460 -0.266 0.000 1.245 1014 Y HN 0.586 nan 8.280 nan 0.000 0.455 1015 H N 2.574 121.897 119.070 0.421 0.000 2.717 1015 H HA 0.629 5.201 4.556 0.027 0.000 0.366 1015 H C -1.761 173.958 175.328 0.650 0.000 1.132 1015 H CA -0.875 55.420 56.048 0.412 0.000 1.180 1015 H CB 1.238 31.144 29.762 0.239 0.000 1.678 1015 H HN 0.530 nan 8.280 nan 0.000 0.537 1016 Y N 1.263 121.381 120.300 -0.304 0.000 2.638 1016 Y HA 0.499 5.066 4.550 0.028 0.000 0.335 1016 Y C -1.792 173.894 175.900 -0.357 0.000 1.155 1016 Y CA -1.112 56.865 58.100 -0.206 0.000 1.046 1016 Y CB 1.470 39.923 38.460 -0.012 0.000 1.303 1016 Y HN 0.754 nan 8.280 nan 0.000 0.460 1017 Q N 2.101 121.881 119.800 -0.033 0.000 2.315 1017 Q HA 0.713 5.070 4.340 0.027 0.000 0.273 1017 Q C -2.293 173.790 176.000 0.139 0.000 1.053 1017 Q CA -0.791 54.989 55.803 -0.039 0.000 0.817 1017 Q CB 2.500 31.248 28.738 0.018 0.000 1.326 1017 Q HN 0.911 nan 8.270 nan 0.000 0.423 1018 L N 2.410 123.701 121.223 0.113 0.000 2.370 1018 L HA 0.726 5.082 4.340 0.027 0.000 0.266 1018 L C -0.834 176.153 176.870 0.194 0.000 1.002 1018 L CA -1.162 53.783 54.840 0.176 0.000 0.818 1018 L CB 2.234 44.377 42.059 0.140 0.000 1.325 1018 L HN 0.328 nan 8.230 nan 0.000 0.418 1019 V N 1.111 121.167 119.914 0.235 0.000 2.448 1019 V HA 0.407 4.544 4.120 0.027 0.000 0.295 1019 V C -1.162 175.111 176.094 0.299 0.000 1.025 1019 V CA -0.408 62.037 62.300 0.241 0.000 0.859 1019 V CB 2.130 34.068 31.823 0.192 0.000 0.988 1019 V HN 0.615 nan 8.190 nan 0.000 0.431 1020 W N 6.876 128.241 121.300 0.107 0.000 2.417 1020 W HA 0.705 5.381 4.660 0.028 0.000 0.315 1020 W C -0.257 176.262 176.519 0.001 0.000 1.045 1020 W CA -1.046 56.280 57.345 -0.032 0.000 1.221 1020 W CB 1.455 30.951 29.460 0.061 0.000 1.309 1020 W HN 0.886 nan 8.180 nan 0.000 0.453 1021 C N 3.584 123.126 119.300 0.403 0.000 3.335 1021 C HA 0.645 5.122 4.460 0.027 0.000 0.356 1021 C C -0.385 174.716 174.990 0.184 0.000 1.570 1021 C CA -0.764 58.417 59.018 0.271 0.000 1.271 1021 C CB 1.637 29.479 27.740 0.170 0.000 1.873 1021 C HN 0.684 nan 8.230 nan 0.000 0.439 1022 Q N 0.876 120.731 119.800 0.093 0.000 2.169 1022 Q HA 0.700 5.057 4.340 0.027 0.000 0.234 1022 Q C -0.628 175.360 176.000 -0.019 0.000 0.980 1022 Q CA -0.352 55.452 55.803 0.002 0.000 0.941 1022 Q CB 1.774 30.497 28.738 -0.025 0.000 1.199 1022 Q HN 0.802 nan 8.270 nan 0.000 0.496 1023 K N 0.000 120.366 120.400 -0.057 0.000 2.780 1023 K HA 0.000 4.337 4.320 0.027 0.000 0.191 1023 K CA 0.000 56.266 56.287 -0.035 0.000 0.838 1023 K CB 0.000 32.485 32.500 -0.025 0.000 1.064 1023 K HN 0.000 nan 8.250 nan 0.000 0.543