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 1jyv_1_D DATA FIRST_RESID 13 DATA SEQUENCE RRDWENPGVT QLNRLAAHPP FASWRNSEEA RTDRPSQQLR SLNGEWRFAW DATA SEQUENCE FPAPEAVPES WLECDLPEAD TVVVPSNWQM HGYDAPIYTN VTYPITVNPP DATA SEQUENCE FVPTENPTGC YSLTFNVDES WLQEGQTRII FDGVNSAFHL WCNGRWVGYG DATA SEQUENCE QDSRLPSEFD LSAFLRAGEN RLAVMVLRWS DGSYLEDQDM WRMSGIFRDV DATA SEQUENCE SLLHKPTTQI SDFHVATRFN DDFSRAVLEA EVQMCGELRD YLRVTVSLWQ DATA SEQUENCE GETQVASGTA PFGGEIIDER GGYADRVTLR LNVENPKLWS AEIPNLYRAV DATA SEQUENCE VELHTADGTL IEAEACDVGF REVRIENGLL LLNGKPLLIR GVNRHEHHPL DATA SEQUENCE HGQVMDEQTM VQDILLMKQN NFNAVRCSHY PNHPLWYTLC DRYGLYVVDE DATA SEQUENCE ANIETHGMVP MNRLTDDPRW LPAMSERVTR MVQRDRNHPS VIIWSLGNES DATA SEQUENCE GHGANHDALY RWIKSVDPSR PVQYEGGGAD TTATDIICPM YARVDEDQPF DATA SEQUENCE PAVPKWSIKK WLSLPGETRP LILCQYAHAM GNSLGGFAKY WQAFRQYPRL DATA SEQUENCE QGGFVWDWVD QSLIKYDENG NPWSAYGGDF GDTPNDRQFC MNGLVFADRT DATA SEQUENCE PHPALTEAKH QQQFFQFRLS GQTIEVTSEY LFRHSDNELL HWMVALDGKP DATA SEQUENCE LASGEVPLDV APQGKQLIEL PELPQPESAG QLWLTVRVVQ PNATAWSEAG DATA SEQUENCE HISAWQQWRL AENLSVTLPA ASHAIPHLTT SEMDFCIELG NKRWQFNRQS DATA SEQUENCE GFLSQMWIGD KKQLLTPLRD QFTRAPLDND IGVSEATRID PNAWVERWKA DATA SEQUENCE AGHYQAEAAL LQCTADTLAD AVLITTAHAW QHQGKTLFIS RKTYRIDGSG DATA SEQUENCE QMAITVDVEV ASDTPHPARI GLNCQLAQVA ERVNWLGLGP QENYPDRLTA DATA SEQUENCE ACFDRWDLPL SDMYTPYVFP SENGLRCGTR ELNYGPHQWR GDFQFNISRY DATA SEQUENCE SQQQLMETSH RHLLHAEEGT WLNIDGFHMG IGGDDSWSPS VSAEFQLSAG DATA SEQUENCE RYHYQLVWCQ K VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 13 R HA 0.000 nan 4.340 nan 0.000 0.208 13 R C 0.000 176.062 176.300 -0.397 0.000 0.893 13 R CA 0.000 55.954 56.100 -0.243 0.000 0.921 13 R CB 0.000 30.155 30.300 -0.241 0.000 0.687 14 R N 1.308 121.467 120.500 -0.568 0.000 3.256 14 R HA 0.165 4.514 4.340 0.015 0.000 0.263 14 R C -0.197 175.540 176.300 -0.939 0.000 1.388 14 R CA -0.388 54.961 56.100 -1.252 0.000 1.580 14 R CB 0.384 30.125 30.300 -0.932 0.000 1.255 14 R HN 0.489 nan 8.270 nan 0.000 0.640 15 D N 0.958 121.012 120.400 -0.576 0.000 2.311 15 D HA -0.178 4.470 4.640 0.015 0.000 0.212 15 D C 1.310 177.520 176.300 -0.149 0.000 0.972 15 D CA 1.096 54.859 54.000 -0.395 0.000 0.887 15 D CB 0.173 40.583 40.800 -0.649 0.000 0.915 15 D HN 0.639 nan 8.370 nan 0.000 0.497 16 W N 1.080 122.396 121.300 0.027 0.000 3.180 16 W HA 0.218 4.887 4.660 0.014 0.000 0.254 16 W C 0.514 177.123 176.519 0.150 0.000 1.318 16 W CA -0.263 57.197 57.345 0.191 0.000 1.608 16 W CB -0.185 29.438 29.460 0.272 0.000 1.124 16 W HN -0.199 nan 8.180 nan 0.000 0.694 17 E N 1.120 121.191 120.200 -0.215 0.000 3.157 17 E HA 0.065 4.424 4.350 0.015 0.000 0.203 17 E C -0.740 175.704 176.600 -0.260 0.000 0.982 17 E CA -0.207 56.082 56.400 -0.185 0.000 1.217 17 E CB -0.155 29.430 29.700 -0.192 0.000 1.123 17 E HN 0.019 nan 8.360 nan 0.000 0.457 18 N N 0.922 119.507 118.700 -0.192 0.000 2.599 18 N HA 0.133 4.881 4.740 0.015 0.000 0.283 18 N C -2.456 172.914 175.510 -0.233 0.000 1.160 18 N CA -1.845 51.057 53.050 -0.247 0.000 0.869 18 N CB 1.562 39.917 38.487 -0.220 0.000 1.448 18 N HN -0.201 nan 8.380 nan 0.000 0.535 19 P HA 0.087 nan 4.420 nan 0.000 0.230 19 P C 1.085 178.150 177.300 -0.392 0.000 1.158 19 P CA 0.609 63.388 63.100 -0.534 0.000 0.769 19 P CB 0.147 31.068 31.700 -1.299 0.000 0.807 20 G N -0.491 108.123 108.800 -0.311 0.000 2.623 20 G HA2 0.029 3.998 3.960 0.015 0.000 0.214 20 G HA3 0.029 3.998 3.960 0.015 0.000 0.214 20 G C 0.303 175.126 174.900 -0.127 0.000 1.138 20 G CA 0.196 45.167 45.100 -0.215 0.000 0.794 20 G HN 0.208 nan 8.290 nan 0.000 0.535 21 V N 1.783 121.638 119.914 -0.098 0.000 2.304 21 V HA 0.299 4.427 4.120 0.015 0.000 0.278 21 V C 0.822 176.968 176.094 0.087 0.000 1.018 21 V CA 0.140 62.431 62.300 -0.016 0.000 0.814 21 V CB 1.167 32.958 31.823 -0.052 0.000 1.021 21 V HN 0.325 nan 8.190 nan 0.000 0.440 22 T N 0.718 115.321 114.554 0.083 0.000 3.054 22 T HA 0.389 4.748 4.350 0.015 0.000 0.255 22 T C 0.199 174.958 174.700 0.098 0.000 1.035 22 T CA -0.070 62.092 62.100 0.103 0.000 0.941 22 T CB 0.223 69.101 68.868 0.017 0.000 1.026 22 T HN 0.692 nan 8.240 nan 0.000 0.533 23 Q N 0.184 120.090 119.800 0.177 0.000 2.721 23 Q HA 0.669 5.018 4.340 0.015 0.000 0.282 23 Q C -2.219 173.929 176.000 0.246 0.000 0.932 23 Q CA -1.032 54.865 55.803 0.158 0.000 0.816 23 Q CB 0.849 29.597 28.738 0.016 0.000 1.506 23 Q HN 0.207 nan 8.270 nan 0.000 0.399 24 L N 1.767 123.165 121.223 0.291 0.000 2.438 24 L HA 0.628 4.977 4.340 0.015 0.000 0.270 24 L C -0.542 176.455 176.870 0.211 0.000 0.972 24 L CA -0.876 54.130 54.840 0.276 0.000 0.831 24 L CB 1.895 44.232 42.059 0.462 0.000 1.273 24 L HN 0.835 nan 8.230 nan 0.000 0.405 25 N N 0.830 119.622 118.700 0.154 0.000 2.800 25 N HA -0.205 4.543 4.740 0.015 0.000 0.250 25 N C 0.120 175.718 175.510 0.146 0.000 1.078 25 N CA 0.815 53.944 53.050 0.132 0.000 0.804 25 N CB -0.828 37.687 38.487 0.046 0.000 1.135 25 N HN 0.651 nan 8.380 nan 0.000 0.565 26 R N 0.966 121.485 120.500 0.032 0.000 2.441 26 R HA 0.398 4.746 4.340 0.015 0.000 0.284 26 R C 0.474 176.648 176.300 -0.210 0.000 1.070 26 R CA -0.387 55.533 56.100 -0.300 0.000 1.047 26 R CB 0.555 30.646 30.300 -0.348 0.000 1.016 26 R HN 0.121 nan 8.270 nan 0.000 0.477 27 L N 3.029 124.094 121.223 -0.264 0.000 2.453 27 L HA 0.292 4.641 4.340 0.015 0.000 0.261 27 L C 0.739 177.554 176.870 -0.091 0.000 1.179 27 L CA -0.543 54.227 54.840 -0.117 0.000 0.813 27 L CB 0.760 42.773 42.059 -0.076 0.000 1.110 27 L HN 0.769 nan 8.230 nan 0.000 0.466 28 A N 1.418 124.225 122.820 -0.022 0.000 2.507 28 A HA 0.459 4.788 4.320 0.015 0.000 0.235 28 A C 0.340 177.931 177.584 0.012 0.000 1.070 28 A CA 0.079 52.112 52.037 -0.006 0.000 0.768 28 A CB 0.110 19.129 19.000 0.031 0.000 1.011 28 A HN 0.806 nan 8.150 nan 0.000 0.502 29 A N 1.199 123.978 122.820 -0.069 0.000 2.332 29 A HA 0.675 5.003 4.320 0.015 0.000 0.258 29 A C 0.099 177.582 177.584 -0.168 0.000 1.087 29 A CA 0.476 52.392 52.037 -0.201 0.000 0.802 29 A CB -0.075 18.803 19.000 -0.202 0.000 1.042 29 A HN 1.887 nan 8.150 nan 0.000 0.489 30 H N -2.050 116.858 119.070 -0.270 0.000 2.917 30 H HA 0.643 5.208 4.556 0.014 0.000 0.299 30 H C -3.395 171.652 175.328 -0.468 0.000 1.418 30 H CA -1.833 53.996 56.048 -0.365 0.000 1.138 30 H CB 0.104 29.536 29.762 -0.550 0.000 1.830 30 H HN 0.380 nan 8.280 nan 0.000 0.514 31 P HA 0.223 nan 4.420 nan 0.000 0.274 31 P C -2.594 174.560 177.300 -0.244 0.000 1.256 31 P CA -1.516 61.388 63.100 -0.327 0.000 0.795 31 P CB -0.281 31.153 31.700 -0.445 0.000 1.038 32 P HA 0.083 nan 4.420 nan 0.000 0.263 32 P C -0.721 176.802 177.300 0.371 0.000 1.195 32 P CA 1.064 64.213 63.100 0.082 0.000 0.762 32 P CB -0.117 31.665 31.700 0.136 0.000 0.799 33 F N 1.385 121.436 119.950 0.167 0.000 2.556 33 F HA 0.608 5.144 4.527 0.014 0.000 0.327 33 F C 0.999 176.723 175.800 -0.126 0.000 1.059 33 F CA -1.063 56.978 58.000 0.070 0.000 0.953 33 F CB 2.138 41.138 39.000 0.001 0.000 1.227 33 F HN 0.199 nan 8.300 nan 0.000 0.478 34 A N 0.344 123.071 122.820 -0.155 0.000 2.653 34 A HA 0.247 4.575 4.320 0.015 0.000 0.248 34 A C 0.537 177.818 177.584 -0.505 0.000 1.211 34 A CA 0.293 51.998 52.037 -0.554 0.000 0.991 34 A CB -0.087 18.006 19.000 -1.512 0.000 1.252 34 A HN 0.724 nan 8.150 nan 0.000 0.593 35 S N 0.431 115.952 115.700 -0.299 0.000 3.550 35 S HA -0.150 4.329 4.470 0.015 0.000 0.372 35 S C -0.036 174.494 174.600 -0.116 0.000 0.966 35 S CA 0.414 58.492 58.200 -0.204 0.000 1.229 35 S CB -1.471 61.601 63.200 -0.213 0.000 0.917 35 S HN 0.481 nan 8.310 nan 0.000 0.496 36 W N 1.742 123.023 121.300 -0.032 0.000 2.190 36 W HA 0.264 4.933 4.660 0.014 0.000 0.330 36 W C 1.272 177.780 176.519 -0.019 0.000 1.299 36 W CA -0.567 56.773 57.345 -0.008 0.000 1.215 36 W CB 0.355 29.805 29.460 -0.016 0.000 1.147 36 W HN 0.325 nan 8.180 nan 0.000 0.563 37 R N 2.006 122.650 120.500 0.239 0.000 2.509 37 R HA 0.082 4.431 4.340 0.015 0.000 0.300 37 R C -0.062 176.309 176.300 0.118 0.000 0.985 37 R CA -0.121 56.062 56.100 0.138 0.000 1.092 37 R CB -0.197 30.168 30.300 0.108 0.000 1.237 37 R HN 0.347 nan 8.270 nan 0.000 0.546 38 N N 0.080 118.864 118.700 0.141 0.000 2.430 38 N HA 0.123 4.871 4.740 0.015 0.000 0.290 38 N C -0.061 175.433 175.510 -0.027 0.000 1.063 38 N CA -0.007 53.075 53.050 0.052 0.000 0.883 38 N CB 1.815 40.334 38.487 0.054 0.000 1.465 38 N HN -0.260 nan 8.380 nan 0.000 0.493 39 S N 2.331 117.991 115.700 -0.065 0.000 2.382 39 S HA -0.167 4.312 4.470 0.015 0.000 0.228 39 S C 1.395 175.837 174.600 -0.264 0.000 1.027 39 S CA 1.232 59.348 58.200 -0.141 0.000 0.991 39 S CB 0.022 63.166 63.200 -0.094 0.000 0.823 39 S HN 0.743 nan 8.310 nan 0.000 0.469 40 E N 1.446 121.509 120.200 -0.229 0.000 2.106 40 E HA -0.117 4.241 4.350 0.015 0.000 0.192 40 E C 1.904 178.307 176.600 -0.329 0.000 0.984 40 E CA 1.065 57.291 56.400 -0.290 0.000 0.806 40 E CB -0.130 29.453 29.700 -0.194 0.000 0.750 40 E HN 0.253 nan 8.360 nan 0.000 0.458 41 E N 0.291 120.327 120.200 -0.273 0.000 2.077 41 E HA -0.146 4.213 4.350 0.015 0.000 0.193 41 E C 2.000 178.114 176.600 -0.811 0.000 0.989 41 E CA 1.142 57.360 56.400 -0.303 0.000 0.800 41 E CB -0.574 29.098 29.700 -0.047 0.000 0.746 41 E HN 0.380 nan 8.360 nan 0.000 0.452 42 A N 1.617 123.710 122.820 -1.213 0.000 1.877 42 A HA -0.216 4.113 4.320 0.015 0.000 0.216 42 A C 2.252 179.215 177.584 -1.037 0.000 1.186 42 A CA 1.798 52.712 52.037 -1.871 0.000 0.620 42 A CB -0.563 17.838 19.000 -0.997 0.000 0.822 42 A HN 0.161 nan 8.150 nan 0.000 0.443 43 R N -0.286 119.803 120.500 -0.684 0.000 2.091 43 R HA -0.156 4.193 4.340 0.015 0.000 0.238 43 R C 1.955 177.987 176.300 -0.446 0.000 1.136 43 R CA 2.176 57.925 56.100 -0.585 0.000 0.959 43 R CB -0.487 29.344 30.300 -0.782 0.000 0.856 43 R HN 0.645 nan 8.270 nan 0.000 0.437 44 T N -2.924 111.392 114.554 -0.397 0.000 3.107 44 T HA 0.059 4.418 4.350 0.015 0.000 0.249 44 T C 0.306 174.914 174.700 -0.153 0.000 1.096 44 T CA 0.528 62.486 62.100 -0.235 0.000 1.012 44 T CB 0.138 68.898 68.868 -0.180 0.000 0.977 44 T HN 0.375 nan 8.240 nan 0.000 0.527 45 D N 0.590 120.854 120.400 -0.227 0.000 3.041 45 D HA -0.160 4.489 4.640 0.015 0.000 0.220 45 D C 0.135 176.555 176.300 0.200 0.000 1.157 45 D CA 0.520 54.532 54.000 0.020 0.000 0.876 45 D CB -1.082 39.775 40.800 0.095 0.000 1.107 45 D HN 0.591 nan 8.370 nan 0.000 0.422 46 R N -0.021 120.563 120.500 0.140 0.000 2.649 46 R HA 0.510 4.859 4.340 0.015 0.000 0.270 46 R C -2.125 174.434 176.300 0.433 0.000 1.105 46 R CA -1.338 54.895 56.100 0.222 0.000 1.193 46 R CB 0.118 30.490 30.300 0.121 0.000 1.120 46 R HN 0.050 nan 8.270 nan 0.000 0.561 47 P HA -0.041 nan 4.420 nan 0.000 0.268 47 P C -0.839 176.614 177.300 0.255 0.000 1.208 47 P CA 0.261 63.496 63.100 0.225 0.000 0.777 47 P CB 0.725 32.508 31.700 0.140 0.000 0.875 48 S N 0.940 116.670 115.700 0.049 0.000 2.454 48 S HA 0.159 4.638 4.470 0.015 0.000 0.306 48 S C 0.761 175.384 174.600 0.038 0.000 1.100 48 S CA -0.497 57.677 58.200 -0.044 0.000 1.087 48 S CB 0.595 63.500 63.200 -0.491 0.000 1.019 48 S HN 0.315 nan 8.310 nan 0.000 0.480 49 Q N 2.086 121.951 119.800 0.108 0.000 2.488 49 Q HA 0.019 4.368 4.340 0.015 0.000 0.211 49 Q C 0.998 177.156 176.000 0.264 0.000 0.967 49 Q CA 0.616 56.510 55.803 0.152 0.000 0.926 49 Q CB 0.134 28.961 28.738 0.149 0.000 0.992 49 Q HN 0.662 nan 8.270 nan 0.000 0.506 50 Q N -0.070 119.849 119.800 0.199 0.000 2.403 50 Q HA 0.074 4.423 4.340 0.015 0.000 0.203 50 Q C -0.160 175.945 176.000 0.175 0.000 0.932 50 Q CA 0.256 56.213 55.803 0.256 0.000 0.945 50 Q CB 0.449 29.215 28.738 0.046 0.000 1.045 50 Q HN 0.149 nan 8.270 nan 0.000 0.511 51 L N 0.897 122.192 121.223 0.120 0.000 2.372 51 L HA 0.387 4.736 4.340 0.015 0.000 0.273 51 L C -1.076 175.864 176.870 0.117 0.000 0.989 51 L CA -0.281 54.605 54.840 0.076 0.000 0.841 51 L CB 1.157 43.179 42.059 -0.061 0.000 1.225 51 L HN -0.161 nan 8.230 nan 0.000 0.414 52 R N 2.584 123.183 120.500 0.166 0.000 2.664 52 R HA 0.635 4.984 4.340 0.015 0.000 0.286 52 R C -0.632 175.705 176.300 0.061 0.000 0.967 52 R CA -0.761 55.406 56.100 0.111 0.000 0.933 52 R CB 2.064 32.435 30.300 0.117 0.000 1.146 52 R HN 0.656 nan 8.270 nan 0.000 0.468 53 S N 2.009 117.736 115.700 0.044 0.000 2.525 53 S HA 0.294 4.772 4.470 0.015 0.000 0.278 53 S C 0.520 175.145 174.600 0.041 0.000 1.234 53 S CA -0.678 57.541 58.200 0.032 0.000 1.058 53 S CB 0.550 63.775 63.200 0.042 0.000 0.983 53 S HN 0.569 nan 8.310 nan 0.000 0.495 54 L N 3.518 124.771 121.223 0.050 0.000 2.818 54 L HA 0.312 4.661 4.340 0.015 0.000 0.243 54 L C 0.127 177.190 176.870 0.323 0.000 1.185 54 L CA -0.423 54.490 54.840 0.121 0.000 0.988 54 L CB -0.393 41.715 42.059 0.082 0.000 1.292 54 L HN 0.508 nan 8.230 nan 0.000 0.519 55 N N 1.362 120.178 118.700 0.194 0.000 2.479 55 N HA 0.480 5.229 4.740 0.015 0.000 0.257 55 N C 0.669 176.319 175.510 0.233 0.000 1.232 55 N CA 1.011 54.169 53.050 0.180 0.000 0.920 55 N CB 1.233 39.761 38.487 0.068 0.000 1.105 55 N HN 0.313 nan 8.380 nan 0.000 0.444 56 G N 0.496 109.447 108.800 0.252 0.000 2.247 56 G HA2 -0.092 3.877 3.960 0.015 0.000 0.229 56 G HA3 -0.092 3.877 3.960 0.015 0.000 0.229 56 G C -1.522 173.597 174.900 0.365 0.000 1.345 56 G CA -0.812 44.430 45.100 0.236 0.000 1.100 56 G HN 0.472 nan 8.290 nan 0.000 0.473 57 E N 0.255 120.639 120.200 0.307 0.000 2.180 57 E HA 0.428 4.786 4.350 0.015 0.000 0.283 57 E C -0.909 175.949 176.600 0.431 0.000 1.061 57 E CA -0.106 56.489 56.400 0.325 0.000 0.861 57 E CB 0.872 30.677 29.700 0.175 0.000 1.056 57 E HN 0.341 nan 8.360 nan 0.000 0.407 58 W N 1.744 123.137 121.300 0.155 0.000 2.804 58 W HA 0.397 5.065 4.660 0.015 0.000 0.352 58 W C 0.305 176.952 176.519 0.213 0.000 1.153 58 W CA -0.767 56.702 57.345 0.207 0.000 1.119 58 W CB 0.718 30.363 29.460 0.309 0.000 1.448 58 W HN 0.174 nan 8.180 nan 0.000 0.600 59 R N 1.409 122.201 120.500 0.487 0.000 2.428 59 R HA 0.576 4.924 4.340 0.015 0.000 0.294 59 R C -1.410 175.149 176.300 0.433 0.000 1.000 59 R CA -0.859 55.461 56.100 0.366 0.000 0.960 59 R CB 1.107 31.564 30.300 0.262 0.000 1.076 59 R HN 0.482 nan 8.270 nan 0.000 0.475 60 F N 0.331 120.325 119.950 0.072 0.000 2.601 60 F HA 0.646 5.182 4.527 0.014 0.000 0.309 60 F C -1.524 174.121 175.800 -0.258 0.000 1.089 60 F CA -0.599 57.297 58.000 -0.173 0.000 0.940 60 F CB 2.050 40.830 39.000 -0.368 0.000 1.273 60 F HN 0.611 nan 8.300 nan 0.000 0.450 61 A N 4.056 126.147 122.820 -1.215 0.000 2.520 61 A HA 0.567 4.895 4.320 0.015 0.000 0.298 61 A C -2.466 174.113 177.584 -1.675 0.000 1.051 61 A CA -0.514 50.865 52.037 -1.098 0.000 0.690 61 A CB 0.748 19.362 19.000 -0.643 0.000 1.281 61 A HN 0.946 nan 8.150 nan 0.000 0.402 62 W N 2.469 122.877 121.300 -1.488 0.000 2.469 62 W HA 0.756 5.425 4.660 0.014 0.000 0.320 62 W C -1.748 174.100 176.519 -1.119 0.000 1.086 62 W CA -0.336 56.293 57.345 -1.193 0.000 1.211 62 W CB 1.108 30.152 29.460 -0.694 0.000 1.298 62 W HN 0.510 nan 8.180 nan 0.000 0.525 63 F N 5.936 125.208 119.950 -1.130 0.000 2.588 63 F HA 0.380 4.915 4.527 0.014 0.000 0.314 63 F C -1.291 173.584 175.800 -1.542 0.000 1.069 63 F CA -2.158 55.289 58.000 -0.921 0.000 0.931 63 F CB 1.911 40.524 39.000 -0.645 0.000 1.260 63 F HN 0.203 nan 8.300 nan 0.000 0.465 64 P HA 0.123 nan 4.420 nan 0.000 0.231 64 P C -0.396 176.789 177.300 -0.192 0.000 1.168 64 P CA 0.820 63.696 63.100 -0.373 0.000 0.779 64 P CB 0.675 32.424 31.700 0.081 0.000 0.844 65 A N -0.623 122.085 122.820 -0.186 0.000 2.608 65 A HA 0.528 4.857 4.320 0.015 0.000 0.292 65 A C -2.438 175.030 177.584 -0.193 0.000 1.066 65 A CA -1.009 50.957 52.037 -0.118 0.000 0.676 65 A CB 0.485 19.479 19.000 -0.010 0.000 1.277 65 A HN -0.295 nan 8.150 nan 0.000 0.413 66 P HA -0.088 nan 4.420 nan 0.000 0.218 66 P C 0.684 177.882 177.300 -0.169 0.000 1.149 66 P CA 1.437 64.396 63.100 -0.236 0.000 0.817 66 P CB 0.214 31.740 31.700 -0.290 0.000 0.785 67 E N 0.095 120.257 120.200 -0.064 0.000 2.333 67 E HA -0.058 4.300 4.350 0.015 0.000 0.198 67 E C 1.931 178.454 176.600 -0.128 0.000 1.007 67 E CA 1.147 57.518 56.400 -0.047 0.000 0.845 67 E CB -0.892 28.816 29.700 0.014 0.000 0.766 67 E HN 0.260 nan 8.360 nan 0.000 0.507 68 A N 0.219 122.916 122.820 -0.205 0.000 2.275 68 A HA 0.119 4.447 4.320 0.015 0.000 0.212 68 A C 0.641 177.868 177.584 -0.595 0.000 1.201 68 A CA -0.203 51.694 52.037 -0.234 0.000 0.843 68 A CB 0.344 19.314 19.000 -0.049 0.000 0.873 68 A HN 0.040 nan 8.150 nan 0.000 0.492 69 V N 3.111 122.535 119.914 -0.818 0.000 2.470 69 V HA 0.188 4.317 4.120 0.015 0.000 0.276 69 V C -2.201 173.565 176.094 -0.548 0.000 1.040 69 V CA -1.362 60.241 62.300 -1.161 0.000 1.008 69 V CB 0.464 31.701 31.823 -0.977 0.000 0.990 69 V HN 0.304 nan 8.190 nan 0.000 0.477 70 P HA 0.247 nan 4.420 nan 0.000 0.276 70 P C 0.388 177.645 177.300 -0.072 0.000 1.230 70 P CA -0.369 62.640 63.100 -0.152 0.000 0.776 70 P CB 1.131 32.798 31.700 -0.055 0.000 0.888 71 E N 1.114 121.277 120.200 -0.063 0.000 2.209 71 E HA -0.157 4.202 4.350 0.015 0.000 0.196 71 E C 1.839 178.411 176.600 -0.047 0.000 0.993 71 E CA 1.567 57.929 56.400 -0.062 0.000 0.819 71 E CB -0.660 29.006 29.700 -0.056 0.000 0.745 71 E HN 0.548 nan 8.360 nan 0.000 0.477 72 S N -0.635 115.061 115.700 -0.008 0.000 2.419 72 S HA -0.197 4.281 4.470 0.015 0.000 0.233 72 S C 1.859 176.466 174.600 0.011 0.000 1.016 72 S CA 0.790 58.989 58.200 -0.002 0.000 0.974 72 S CB -0.789 62.424 63.200 0.021 0.000 0.786 72 S HN 0.543 nan 8.310 nan 0.000 0.492 73 W N 2.477 123.690 121.300 -0.144 0.000 2.341 73 W HA -0.039 4.629 4.660 0.014 0.000 0.283 73 W C 1.573 177.987 176.519 -0.175 0.000 1.215 73 W CA 0.959 58.221 57.345 -0.139 0.000 1.211 73 W CB -0.429 28.927 29.460 -0.173 0.000 1.131 73 W HN 0.281 nan 8.180 nan 0.000 0.552 74 L N 0.186 121.170 121.223 -0.400 0.000 2.046 74 L HA -0.192 4.156 4.340 0.015 0.000 0.208 74 L C 2.494 179.126 176.870 -0.398 0.000 1.077 74 L CA 1.537 56.000 54.840 -0.629 0.000 0.747 74 L CB -0.700 41.018 42.059 -0.569 0.000 0.896 74 L HN -0.024 nan 8.230 nan 0.000 0.432 75 E N -1.071 118.993 120.200 -0.226 0.000 2.251 75 E HA 0.066 4.424 4.350 0.015 0.000 0.194 75 E C 0.382 176.912 176.600 -0.118 0.000 0.964 75 E CA 0.400 56.718 56.400 -0.137 0.000 0.868 75 E CB 0.643 30.299 29.700 -0.073 0.000 0.828 75 E HN 0.479 nan 8.360 nan 0.000 0.481 76 C N 0.188 119.428 119.300 -0.100 0.000 2.994 76 C HA 0.446 4.915 4.460 0.015 0.000 0.305 76 C C -0.082 174.911 174.990 0.004 0.000 1.251 76 C CA -1.765 57.224 59.018 -0.048 0.000 1.478 76 C CB 1.033 28.765 27.740 -0.013 0.000 1.922 76 C HN 0.138 nan 8.230 nan 0.000 0.472 77 D N 0.674 121.089 120.400 0.026 0.000 2.571 77 D HA 0.198 4.847 4.640 0.015 0.000 0.231 77 D C -0.396 175.981 176.300 0.129 0.000 1.133 77 D CA 0.470 54.528 54.000 0.096 0.000 0.862 77 D CB 0.480 41.324 40.800 0.074 0.000 1.179 77 D HN 0.490 nan 8.370 nan 0.000 0.474 78 L N 6.022 127.363 121.223 0.196 0.000 2.331 78 L HA 0.258 4.607 4.340 0.015 0.000 0.278 78 L C -1.094 175.833 176.870 0.094 0.000 1.106 78 L CA -1.518 53.411 54.840 0.148 0.000 0.824 78 L CB 1.270 43.421 42.059 0.153 0.000 1.142 78 L HN 0.533 nan 8.230 nan 0.000 0.443 79 P HA -0.145 nan 4.420 nan 0.000 0.218 79 P C 0.624 177.948 177.300 0.040 0.000 1.149 79 P CA 1.130 64.260 63.100 0.049 0.000 0.817 79 P CB 0.258 31.981 31.700 0.039 0.000 0.785 80 E N -0.131 120.087 120.200 0.031 0.000 2.482 80 E HA 0.175 4.533 4.350 0.015 0.000 0.196 80 E C 1.106 177.708 176.600 0.004 0.000 1.047 80 E CA 0.067 56.472 56.400 0.009 0.000 0.869 80 E CB -0.728 28.959 29.700 -0.022 0.000 0.836 80 E HN 0.245 nan 8.360 nan 0.000 0.520 81 A N 1.041 123.873 122.820 0.020 0.000 2.386 81 A HA 0.201 4.530 4.320 0.015 0.000 0.246 81 A C 0.003 177.634 177.584 0.079 0.000 1.089 81 A CA -0.308 51.742 52.037 0.021 0.000 0.790 81 A CB 0.346 19.381 19.000 0.059 0.000 1.042 81 A HN -0.051 nan 8.150 nan 0.000 0.497 82 D N -0.646 119.833 120.400 0.132 0.000 2.384 82 D HA 0.544 5.192 4.640 0.015 0.000 0.250 82 D C -0.631 175.776 176.300 0.177 0.000 1.029 82 D CA 0.016 54.111 54.000 0.159 0.000 0.990 82 D CB 1.306 42.254 40.800 0.246 0.000 1.175 82 D HN 0.376 nan 8.370 nan 0.000 0.532 83 T N 0.481 115.122 114.554 0.145 0.000 2.749 83 T HA 0.524 4.883 4.350 0.015 0.000 0.287 83 T C 0.030 174.813 174.700 0.139 0.000 0.970 83 T CA -0.564 61.631 62.100 0.157 0.000 0.980 83 T CB 0.660 69.598 68.868 0.116 0.000 0.924 83 T HN 0.262 nan 8.240 nan 0.000 0.456 84 V N 1.298 121.325 119.914 0.188 0.000 3.102 84 V HA 0.798 4.927 4.120 0.015 0.000 0.312 84 V C -0.317 175.892 176.094 0.191 0.000 1.135 84 V CA -1.042 61.325 62.300 0.113 0.000 1.022 84 V CB 1.683 33.566 31.823 0.100 0.000 1.056 84 V HN 0.509 nan 8.190 nan 0.000 0.436 85 V N 2.062 122.063 119.914 0.144 0.000 2.583 85 V HA 0.472 4.601 4.120 0.015 0.000 0.287 85 V C 0.060 176.238 176.094 0.141 0.000 1.051 85 V CA -0.028 62.364 62.300 0.154 0.000 1.010 85 V CB 1.321 33.198 31.823 0.090 0.000 0.988 85 V HN 0.743 nan 8.190 nan 0.000 0.478 86 V N 7.373 127.297 119.914 0.016 0.000 2.588 86 V HA 0.452 4.581 4.120 0.015 0.000 0.304 86 V C -2.263 173.731 176.094 -0.166 0.000 1.042 86 V CA -1.693 60.476 62.300 -0.220 0.000 0.877 86 V CB 2.481 33.819 31.823 -0.808 0.000 0.996 86 V HN 0.760 nan 8.190 nan 0.000 0.425 87 P HA 0.448 nan 4.420 nan 0.000 0.277 87 P C -0.845 176.387 177.300 -0.113 0.000 1.240 87 P CA -0.131 62.859 63.100 -0.183 0.000 0.798 87 P CB 1.362 32.965 31.700 -0.161 0.000 0.979 88 S N 0.408 116.048 115.700 -0.100 0.000 2.595 88 S HA 0.409 4.888 4.470 0.015 0.000 0.270 88 S C -1.196 173.324 174.600 -0.134 0.000 1.145 88 S CA -1.033 57.084 58.200 -0.138 0.000 0.825 88 S CB 0.533 63.596 63.200 -0.228 0.000 1.107 88 S HN 0.337 nan 8.310 nan 0.000 0.461 89 N N 0.962 119.524 118.700 -0.230 0.000 2.419 89 N HA 0.420 5.169 4.740 0.015 0.000 0.277 89 N C 0.560 175.903 175.510 -0.278 0.000 1.006 89 N CA -0.821 52.073 53.050 -0.261 0.000 0.923 89 N CB 0.673 38.981 38.487 -0.298 0.000 1.140 89 N HN 0.865 nan 8.380 nan 0.000 0.488 90 W N 2.488 123.657 121.300 -0.218 0.000 2.421 90 W HA -0.086 4.583 4.660 0.015 0.000 0.270 90 W C 0.961 177.465 176.519 -0.024 0.000 1.233 90 W CA 0.699 57.924 57.345 -0.200 0.000 1.226 90 W CB -0.337 29.014 29.460 -0.181 0.000 1.121 90 W HN 0.514 nan 8.180 nan 0.000 0.579 91 Q N 0.475 120.264 119.800 -0.019 0.000 2.224 91 Q HA -0.102 4.247 4.340 0.015 0.000 0.203 91 Q C 2.153 178.115 176.000 -0.063 0.000 0.970 91 Q CA 1.718 57.514 55.803 -0.011 0.000 0.865 91 Q CB -0.518 28.091 28.738 -0.216 0.000 0.922 91 Q HN 0.284 nan 8.270 nan 0.000 0.445 92 M N -0.995 118.524 119.600 -0.135 0.000 2.476 92 M HA -0.052 4.436 4.480 0.015 0.000 0.262 92 M C 0.745 177.100 176.300 0.092 0.000 1.079 92 M CA 1.402 56.640 55.300 -0.103 0.000 1.104 92 M CB -0.573 31.944 32.600 -0.138 0.000 1.409 92 M HN 0.374 nan 8.290 nan 0.000 0.467 93 H N -0.723 118.384 119.070 0.062 0.000 2.551 93 H HA 0.277 4.842 4.556 0.015 0.000 0.271 93 H C 1.198 176.455 175.328 -0.118 0.000 0.984 93 H CA 0.085 56.157 56.048 0.041 0.000 1.164 93 H CB 0.379 30.274 29.762 0.222 0.000 1.437 93 H HN 0.561 nan 8.280 nan 0.000 0.550 94 G N 0.662 109.492 108.800 0.050 0.000 2.136 94 G HA2 -0.361 3.608 3.960 0.015 0.000 0.242 94 G HA3 -0.361 3.608 3.960 0.015 0.000 0.242 94 G C 0.310 175.093 174.900 -0.195 0.000 0.989 94 G CA 0.370 45.422 45.100 -0.080 0.000 0.682 94 G HN 0.474 nan 8.290 nan 0.000 0.522 95 Y N 1.360 121.679 120.300 0.030 0.000 2.395 95 Y HA 0.297 4.856 4.550 0.014 0.000 0.293 95 Y C 1.587 177.258 175.900 -0.382 0.000 1.123 95 Y CA 1.343 59.324 58.100 -0.197 0.000 1.227 95 Y CB 0.278 38.656 38.460 -0.137 0.000 1.012 95 Y HN 0.646 nan 8.280 nan 0.000 0.552 96 D N -1.874 118.605 120.400 0.131 0.000 2.665 96 D HA 0.498 5.146 4.640 0.015 0.000 0.287 96 D C -1.183 175.216 176.300 0.164 0.000 1.266 96 D CA -0.899 53.184 54.000 0.139 0.000 0.830 96 D CB 0.755 41.772 40.800 0.362 0.000 1.356 96 D HN -0.064 nan 8.370 nan 0.000 0.437 97 A N 0.059 122.982 122.820 0.172 0.000 2.327 97 A HA 0.704 5.033 4.320 0.015 0.000 0.283 97 A C -2.328 175.291 177.584 0.059 0.000 1.127 97 A CA -1.178 50.935 52.037 0.126 0.000 0.810 97 A CB 0.122 19.257 19.000 0.225 0.000 1.066 97 A HN 0.544 nan 8.150 nan 0.000 0.492 98 P HA 0.461 nan 4.420 nan 0.000 0.277 98 P C -0.896 176.562 177.300 0.263 0.000 1.240 98 P CA 0.037 63.074 63.100 -0.105 0.000 0.798 98 P CB 0.849 32.216 31.700 -0.555 0.000 0.979 99 I N 2.216 123.044 120.570 0.429 0.000 2.465 99 I HA 0.265 4.443 4.170 0.015 0.000 0.291 99 I C -0.598 175.725 176.117 0.343 0.000 1.014 99 I CA -1.007 60.550 61.300 0.428 0.000 1.093 99 I CB 1.765 39.947 38.000 0.303 0.000 1.267 99 I HN 0.294 nan 8.210 nan 0.000 0.431 100 Y N 5.995 126.225 120.300 -0.118 0.000 2.478 100 Y HA 0.507 5.065 4.550 0.014 0.000 0.329 100 Y C -0.330 175.412 175.900 -0.264 0.000 0.967 100 Y CA -0.534 57.218 58.100 -0.579 0.000 1.255 100 Y CB 1.137 38.724 38.460 -1.454 0.000 1.103 100 Y HN 0.533 nan 8.280 nan 0.000 0.497 101 T N 5.092 119.154 114.554 -0.820 0.000 2.876 101 T HA 0.272 4.630 4.350 0.015 0.000 0.289 101 T C 0.196 174.422 174.700 -0.791 0.000 1.014 101 T CA -0.580 61.068 62.100 -0.753 0.000 0.986 101 T CB 1.159 69.816 68.868 -0.353 0.000 1.021 101 T HN 0.767 nan 8.240 nan 0.000 0.458 102 N N 2.624 120.904 118.700 -0.700 0.000 2.272 102 N HA 0.060 4.808 4.740 0.015 0.000 0.195 102 N C 1.522 176.768 175.510 -0.441 0.000 1.048 102 N CA 1.471 54.233 53.050 -0.479 0.000 0.912 102 N CB -0.584 37.636 38.487 -0.445 0.000 1.096 102 N HN 0.400 nan 8.380 nan 0.000 0.471 103 V N 0.388 119.979 119.914 -0.538 0.000 2.521 103 V HA 0.125 4.254 4.120 0.015 0.000 0.239 103 V C 0.364 176.150 176.094 -0.514 0.000 1.053 103 V CA 0.781 62.692 62.300 -0.648 0.000 1.073 103 V CB -0.687 30.629 31.823 -0.846 0.000 0.746 103 V HN 0.312 nan 8.190 nan 0.000 0.476 104 T N 1.291 115.609 114.554 -0.394 0.000 2.871 104 T HA 0.093 4.451 4.350 0.015 0.000 0.296 104 T C -0.325 174.238 174.700 -0.229 0.000 0.998 104 T CA 0.339 62.284 62.100 -0.259 0.000 1.162 104 T CB -0.295 68.454 68.868 -0.198 0.000 0.947 104 T HN 0.177 nan 8.240 nan 0.000 0.536 105 Y N 4.715 124.923 120.300 -0.154 0.000 2.578 105 Y HA 0.116 4.675 4.550 0.014 0.000 0.339 105 Y C -0.788 174.992 175.900 -0.199 0.000 1.231 105 Y CA -1.636 56.365 58.100 -0.165 0.000 1.461 105 Y CB 0.441 38.799 38.460 -0.170 0.000 1.323 105 Y HN 0.510 nan 8.280 nan 0.000 0.590 106 P HA 0.019 nan 4.420 nan 0.000 0.245 106 P C -0.448 176.636 177.300 -0.360 0.000 1.212 106 P CA 0.995 63.998 63.100 -0.162 0.000 0.774 106 P CB -0.047 31.600 31.700 -0.088 0.000 0.999 107 I N -5.445 114.903 120.570 -0.369 0.000 2.934 107 I HA 0.488 4.666 4.170 0.015 0.000 0.306 107 I C -0.575 175.415 176.117 -0.212 0.000 1.110 107 I CA -1.228 59.816 61.300 -0.427 0.000 1.019 107 I CB 1.805 39.396 38.000 -0.682 0.000 1.227 107 I HN -0.468 nan 8.210 nan 0.000 0.434 108 T N 3.085 117.554 114.554 -0.142 0.000 2.905 108 T HA 0.107 4.465 4.350 0.015 0.000 0.299 108 T C 0.243 174.929 174.700 -0.023 0.000 1.024 108 T CA -0.142 61.927 62.100 -0.051 0.000 1.151 108 T CB 0.376 69.236 68.868 -0.014 0.000 0.987 108 T HN 0.385 nan 8.240 nan 0.000 0.535 109 V N 5.068 124.984 119.914 0.003 0.000 2.381 109 V HA 0.209 4.338 4.120 0.015 0.000 0.257 109 V C 0.752 176.897 176.094 0.085 0.000 1.057 109 V CA -0.142 62.177 62.300 0.032 0.000 1.013 109 V CB -0.227 31.603 31.823 0.012 0.000 1.069 109 V HN 0.863 nan 8.190 nan 0.000 0.484 110 N N 5.833 124.647 118.700 0.190 0.000 2.666 110 N HA 0.246 4.995 4.740 0.015 0.000 0.253 110 N C -2.897 172.705 175.510 0.153 0.000 1.621 110 N CA -1.241 51.911 53.050 0.170 0.000 0.785 110 N CB 1.356 39.976 38.487 0.223 0.000 1.332 110 N HN 0.283 nan 8.380 nan 0.000 0.514 111 P HA 0.163 nan 4.420 nan 0.000 0.266 111 P C -2.273 174.811 177.300 -0.361 0.000 1.195 111 P CA -0.644 62.023 63.100 -0.722 0.000 0.768 111 P CB 0.502 31.616 31.700 -0.977 0.000 0.838 112 P HA 0.233 nan 4.420 nan 0.000 0.262 112 P C -0.513 176.630 177.300 -0.261 0.000 1.651 112 P CA -0.335 62.535 63.100 -0.383 0.000 1.119 112 P CB -0.066 31.392 31.700 -0.404 0.000 1.552 113 F N 0.918 120.980 119.950 0.187 0.000 2.380 113 F HA 0.335 4.871 4.527 0.015 0.000 0.325 113 F C 1.383 177.355 175.800 0.288 0.000 1.136 113 F CA -0.650 57.470 58.000 0.201 0.000 1.171 113 F CB 0.727 39.791 39.000 0.108 0.000 1.230 113 F HN -0.191 nan 8.300 nan 0.000 0.554 114 V N -1.261 118.924 119.914 0.451 0.000 3.126 114 V HA 0.714 4.842 4.120 0.015 0.000 0.314 114 V C -2.807 173.447 176.094 0.267 0.000 1.138 114 V CA -2.886 59.602 62.300 0.313 0.000 1.034 114 V CB 1.404 33.464 31.823 0.395 0.000 1.075 114 V HN 0.484 nan 8.190 nan 0.000 0.442 115 P HA 0.213 nan 4.420 nan 0.000 0.269 115 P C 1.004 178.437 177.300 0.222 0.000 1.209 115 P CA 0.469 63.655 63.100 0.144 0.000 0.776 115 P CB 0.598 32.343 31.700 0.074 0.000 0.876 116 T N -1.844 112.814 114.554 0.175 0.000 2.995 116 T HA -0.073 4.286 4.350 0.015 0.000 0.269 116 T C 0.567 175.374 174.700 0.178 0.000 1.091 116 T CA 0.783 62.995 62.100 0.187 0.000 1.128 116 T CB -0.473 68.478 68.868 0.139 0.000 0.891 116 T HN 0.374 nan 8.240 nan 0.000 0.492 117 E N 2.497 122.801 120.200 0.174 0.000 1.941 117 E HA 0.238 4.597 4.350 0.015 0.000 0.275 117 E C -0.801 175.951 176.600 0.253 0.000 1.113 117 E CA -0.344 56.165 56.400 0.181 0.000 0.878 117 E CB 0.211 30.023 29.700 0.187 0.000 1.070 117 E HN 0.240 nan 8.360 nan 0.000 0.399 118 N N 4.572 123.392 118.700 0.200 0.000 2.576 118 N HA 0.250 4.999 4.740 0.015 0.000 0.269 118 N C -2.889 172.645 175.510 0.040 0.000 1.058 118 N CA -2.389 50.814 53.050 0.255 0.000 0.860 118 N CB 1.341 39.952 38.487 0.207 0.000 1.249 118 N HN 0.039 nan 8.380 nan 0.000 0.525 119 P HA 0.027 nan 4.420 nan 0.000 0.261 119 P C -0.821 176.367 177.300 -0.188 0.000 1.183 119 P CA 0.496 63.511 63.100 -0.143 0.000 0.761 119 P CB 0.390 32.301 31.700 0.352 0.000 0.785 120 T N 2.906 117.083 114.554 -0.628 0.000 2.792 120 T HA 0.549 4.908 4.350 0.015 0.000 0.280 120 T C 0.355 174.521 174.700 -0.890 0.000 0.990 120 T CA -0.559 61.227 62.100 -0.523 0.000 0.960 120 T CB 1.450 70.067 68.868 -0.418 0.000 0.939 120 T HN 0.331 nan 8.240 nan 0.000 0.439 121 G N 1.143 109.497 108.800 -0.743 0.000 2.347 121 G HA2 0.473 4.442 3.960 0.015 0.000 0.314 121 G HA3 0.473 4.442 3.960 0.015 0.000 0.314 121 G C -0.290 174.348 174.900 -0.437 0.000 1.126 121 G CA -0.371 44.192 45.100 -0.894 0.000 0.929 121 G HN 0.860 nan 8.290 nan 0.000 0.441 122 C N 3.417 122.215 119.300 -0.836 0.000 2.225 122 C HA 0.477 4.945 4.460 0.015 0.000 0.323 122 C C -0.520 174.413 174.990 -0.094 0.000 1.164 122 C CA -0.955 57.724 59.018 -0.565 0.000 1.565 122 C CB -1.665 25.316 27.740 -1.264 0.000 2.124 122 C HN 0.637 nan 8.230 nan 0.000 0.461 123 Y N 1.944 122.516 120.300 0.453 0.000 2.387 123 Y HA 0.664 5.223 4.550 0.015 0.000 0.330 123 Y C 0.810 177.191 175.900 0.801 0.000 1.133 123 Y CA -0.165 58.327 58.100 0.652 0.000 1.152 123 Y CB 1.509 40.324 38.460 0.591 0.000 1.215 123 Y HN 0.679 nan 8.280 nan 0.000 0.466 124 S N 1.973 118.200 115.700 0.877 0.000 2.570 124 S HA 0.819 5.298 4.470 0.015 0.000 0.270 124 S C -1.993 172.699 174.600 0.154 0.000 1.149 124 S CA -0.800 57.690 58.200 0.483 0.000 0.837 124 S CB 2.171 65.534 63.200 0.271 0.000 1.124 124 S HN 0.622 nan 8.310 nan 0.000 0.465 125 L N 0.624 121.750 121.223 -0.162 0.000 2.549 125 L HA 0.706 5.054 4.340 0.015 0.000 0.259 125 L C -1.081 175.701 176.870 -0.146 0.000 0.934 125 L CA 0.138 54.710 54.840 -0.447 0.000 0.865 125 L CB 2.193 43.458 42.059 -1.324 0.000 1.352 125 L HN 0.931 nan 8.230 nan 0.000 0.410 126 T N 5.137 119.640 114.554 -0.084 0.000 2.795 126 T HA 0.768 5.126 4.350 0.015 0.000 0.282 126 T C -0.758 173.978 174.700 0.060 0.000 0.980 126 T CA 0.056 62.151 62.100 -0.008 0.000 1.012 126 T CB 0.396 69.237 68.868 -0.044 0.000 0.936 126 T HN 0.483 nan 8.240 nan 0.000 0.457 127 F N 1.218 121.093 119.950 -0.125 0.000 2.745 127 F HA 0.808 5.344 4.527 0.015 0.000 0.316 127 F C -1.029 174.722 175.800 -0.082 0.000 1.155 127 F CA -1.456 56.476 58.000 -0.114 0.000 0.937 127 F CB 1.357 40.281 39.000 -0.127 0.000 1.361 127 F HN 0.528 nan 8.300 nan 0.000 0.472 128 N N -0.222 118.391 118.700 -0.144 0.000 2.697 128 N HA 0.722 5.470 4.740 0.015 0.000 0.272 128 N C -1.567 173.894 175.510 -0.081 0.000 1.381 128 N CA -0.633 52.268 53.050 -0.248 0.000 0.797 128 N CB 2.156 40.516 38.487 -0.212 0.000 1.523 128 N HN 0.895 nan 8.380 nan 0.000 0.518 129 V N -3.847 115.985 119.914 -0.136 0.000 3.001 129 V HA 0.574 4.703 4.120 0.015 0.000 0.314 129 V C -0.324 175.569 176.094 -0.335 0.000 1.099 129 V CA -1.036 61.127 62.300 -0.227 0.000 0.989 129 V CB 1.767 33.588 31.823 -0.005 0.000 1.040 129 V HN 0.861 nan 8.190 nan 0.000 0.434 130 D N 0.985 120.992 120.400 -0.654 0.000 2.449 130 D HA -0.048 4.601 4.640 0.015 0.000 0.236 130 D C 0.928 177.078 176.300 -0.250 0.000 1.149 130 D CA 0.542 54.242 54.000 -0.500 0.000 0.878 130 D CB 1.697 42.028 40.800 -0.782 0.000 1.198 130 D HN 0.903 nan 8.370 nan 0.000 0.446 131 E N 1.534 121.656 120.200 -0.129 0.000 2.085 131 E HA -0.217 4.142 4.350 0.015 0.000 0.194 131 E C 1.945 178.560 176.600 0.025 0.000 0.994 131 E CA 2.034 58.410 56.400 -0.040 0.000 0.801 131 E CB -0.317 29.368 29.700 -0.025 0.000 0.743 131 E HN 0.486 nan 8.360 nan 0.000 0.453 132 S N -0.811 114.915 115.700 0.043 0.000 2.419 132 S HA -0.165 4.313 4.470 0.015 0.000 0.235 132 S C 1.675 176.405 174.600 0.216 0.000 1.019 132 S CA 1.075 59.358 58.200 0.138 0.000 0.982 132 S CB -0.755 62.547 63.200 0.170 0.000 0.789 132 S HN 0.399 nan 8.310 nan 0.000 0.490 133 W N 1.489 122.658 121.300 -0.217 0.000 2.467 133 W HA 0.371 5.040 4.660 0.015 0.000 0.275 133 W C 1.973 178.452 176.519 -0.067 0.000 1.239 133 W CA -0.549 56.600 57.345 -0.327 0.000 1.266 133 W CB -0.951 28.265 29.460 -0.405 0.000 1.112 133 W HN 0.327 nan 8.180 nan 0.000 0.576 134 L N -0.250 121.082 121.223 0.181 0.000 2.240 134 L HA -0.105 4.244 4.340 0.015 0.000 0.211 134 L C 2.376 179.312 176.870 0.110 0.000 1.106 134 L CA 0.882 55.797 54.840 0.126 0.000 0.793 134 L CB -0.616 41.485 42.059 0.069 0.000 0.927 134 L HN -0.005 nan 8.230 nan 0.000 0.446 135 Q N -0.307 119.562 119.800 0.114 0.000 1.990 135 Q HA -0.019 4.330 4.340 0.015 0.000 0.200 135 Q C 0.234 176.299 176.000 0.108 0.000 0.980 135 Q CA 0.980 56.842 55.803 0.098 0.000 0.832 135 Q CB 0.354 29.147 28.738 0.092 0.000 0.897 135 Q HN 0.354 nan 8.270 nan 0.000 0.427 136 E N -2.019 118.273 120.200 0.153 0.000 2.454 136 E HA 0.481 4.840 4.350 0.015 0.000 0.279 136 E C -0.618 176.104 176.600 0.203 0.000 1.029 136 E CA 0.074 56.556 56.400 0.136 0.000 0.831 136 E CB 1.776 31.539 29.700 0.105 0.000 1.405 136 E HN 0.278 nan 8.360 nan 0.000 0.463 137 G N 0.965 109.811 108.800 0.077 0.000 2.746 137 G HA2 -0.209 3.760 3.960 0.015 0.000 0.685 137 G HA3 -0.209 3.760 3.960 0.015 0.000 0.685 137 G C -0.731 174.138 174.900 -0.051 0.000 1.350 137 G CA -0.232 44.829 45.100 -0.065 0.000 0.837 137 G HN 0.432 nan 8.290 nan 0.000 0.564 138 Q N -0.125 119.551 119.800 -0.206 0.000 2.290 138 Q HA 0.609 4.958 4.340 0.015 0.000 0.259 138 Q C -0.558 175.386 176.000 -0.094 0.000 0.941 138 Q CA -0.371 55.374 55.803 -0.097 0.000 0.912 138 Q CB 0.910 29.581 28.738 -0.111 0.000 1.244 138 Q HN 0.569 nan 8.270 nan 0.000 0.441 139 T N 5.584 120.169 114.554 0.051 0.000 2.772 139 T HA 0.422 4.781 4.350 0.015 0.000 0.288 139 T C -0.539 174.211 174.700 0.083 0.000 0.994 139 T CA -0.643 61.491 62.100 0.057 0.000 0.951 139 T CB 0.452 69.443 68.868 0.204 0.000 0.933 139 T HN 0.633 nan 8.240 nan 0.000 0.447 140 R N 2.918 123.440 120.500 0.035 0.000 2.828 140 R HA 0.787 5.135 4.340 0.015 0.000 0.264 140 R C -1.001 175.335 176.300 0.060 0.000 1.022 140 R CA -1.002 55.139 56.100 0.068 0.000 1.021 140 R CB 1.500 31.826 30.300 0.043 0.000 1.163 140 R HN 0.546 nan 8.270 nan 0.000 0.494 141 I N 2.089 122.708 120.570 0.082 0.000 2.441 141 I HA 0.438 4.617 4.170 0.015 0.000 0.295 141 I C -1.128 174.987 176.117 -0.003 0.000 0.994 141 I CA -1.275 60.020 61.300 -0.010 0.000 1.144 141 I CB 1.407 39.390 38.000 -0.027 0.000 1.314 141 I HN 0.608 nan 8.210 nan 0.000 0.445 142 I N 7.354 127.826 120.570 -0.162 0.000 2.436 142 I HA 0.311 4.490 4.170 0.015 0.000 0.289 142 I C -1.285 174.663 176.117 -0.282 0.000 1.010 142 I CA -0.422 60.812 61.300 -0.110 0.000 1.098 142 I CB 1.563 39.513 38.000 -0.083 0.000 1.266 142 I HN 0.398 nan 8.210 nan 0.000 0.434 143 F N 4.458 124.400 119.950 -0.014 0.000 2.332 143 F HA 0.278 4.813 4.527 0.014 0.000 0.368 143 F C 1.277 176.978 175.800 -0.164 0.000 1.110 143 F CA -0.532 57.397 58.000 -0.119 0.000 1.087 143 F CB 0.839 39.738 39.000 -0.169 0.000 1.235 143 F HN 0.454 nan 8.300 nan 0.000 0.470 144 D N 2.346 122.676 120.400 -0.116 0.000 2.263 144 D HA 0.035 4.683 4.640 0.015 0.000 0.208 144 D C 0.985 177.126 176.300 -0.265 0.000 0.971 144 D CA 0.974 54.853 54.000 -0.202 0.000 0.867 144 D CB 0.366 40.985 40.800 -0.302 0.000 0.929 144 D HN 0.644 nan 8.370 nan 0.000 0.492 145 G N -0.580 108.017 108.800 -0.338 0.000 2.596 145 G HA2 0.425 4.394 3.960 0.015 0.000 0.300 145 G HA3 0.425 4.394 3.960 0.015 0.000 0.300 145 G C -1.556 173.129 174.900 -0.358 0.000 1.370 145 G CA -0.462 44.358 45.100 -0.466 0.000 1.170 145 G HN -0.050 nan 8.290 nan 0.000 0.594 146 V N 2.494 122.388 119.914 -0.034 0.000 2.623 146 V HA 0.545 4.673 4.120 0.015 0.000 0.304 146 V C -0.865 175.316 176.094 0.145 0.000 1.054 146 V CA -1.169 61.104 62.300 -0.045 0.000 0.882 146 V CB 2.032 33.580 31.823 -0.459 0.000 1.002 146 V HN 0.723 nan 8.190 nan 0.000 0.424 147 N N 2.395 121.159 118.700 0.106 0.000 2.446 147 N HA 0.323 5.072 4.740 0.015 0.000 0.265 147 N C 0.589 176.017 175.510 -0.137 0.000 0.975 147 N CA 0.192 53.207 53.050 -0.057 0.000 0.928 147 N CB 2.171 40.452 38.487 -0.344 0.000 1.160 147 N HN 0.694 nan 8.380 nan 0.000 0.495 148 S N 1.998 117.657 115.700 -0.068 0.000 2.526 148 S HA 0.578 5.057 4.470 0.015 0.000 0.220 148 S C 0.264 174.915 174.600 0.085 0.000 1.017 148 S CA 0.129 58.339 58.200 0.017 0.000 0.930 148 S CB 0.293 63.514 63.200 0.036 0.000 0.856 148 S HN 0.678 nan 8.310 nan 0.000 0.497 149 A N 0.730 123.613 122.820 0.105 0.000 2.608 149 A HA 0.744 5.073 4.320 0.015 0.000 0.292 149 A C -1.325 176.344 177.584 0.141 0.000 1.066 149 A CA -0.923 51.141 52.037 0.046 0.000 0.676 149 A CB 0.698 19.762 19.000 0.106 0.000 1.277 149 A HN 1.150 nan 8.150 nan 0.000 0.413 150 F N -0.704 119.045 119.950 -0.335 0.000 2.719 150 F HA 0.745 5.280 4.527 0.014 0.000 0.309 150 F C -1.181 174.509 175.800 -0.184 0.000 1.138 150 F CA -0.807 57.102 58.000 -0.152 0.000 0.943 150 F CB 1.085 39.981 39.000 -0.174 0.000 1.304 150 F HN 0.635 nan 8.300 nan 0.000 0.445 151 H N 1.801 121.035 119.070 0.272 0.000 2.472 151 H HA 0.713 5.278 4.556 0.015 0.000 0.338 151 H C -1.444 173.860 175.328 -0.041 0.000 1.133 151 H CA -0.690 55.383 56.048 0.042 0.000 1.216 151 H CB 2.446 32.225 29.762 0.028 0.000 1.497 151 H HN 0.765 nan 8.280 nan 0.000 0.500 152 L N 3.176 124.190 121.223 -0.349 0.000 2.386 152 L HA 0.417 4.765 4.340 0.015 0.000 0.271 152 L C -1.609 174.963 176.870 -0.497 0.000 0.993 152 L CA -0.536 54.167 54.840 -0.228 0.000 0.819 152 L CB 1.475 43.277 42.059 -0.429 0.000 1.294 152 L HN 0.524 nan 8.230 nan 0.000 0.414 153 W N 4.354 125.618 121.300 -0.060 0.000 2.844 153 W HA 0.615 5.284 4.660 0.015 0.000 0.340 153 W C -1.135 175.321 176.519 -0.104 0.000 1.093 153 W CA -0.812 56.481 57.345 -0.087 0.000 1.212 153 W CB 2.062 31.509 29.460 -0.021 0.000 1.422 153 W HN 0.625 nan 8.180 nan 0.000 0.515 154 C N 4.433 123.801 119.300 0.113 0.000 2.431 154 C HA 0.309 4.777 4.460 0.015 0.000 0.321 154 C C 0.234 175.357 174.990 0.221 0.000 1.202 154 C CA -0.370 58.725 59.018 0.128 0.000 1.398 154 C CB -0.228 27.521 27.740 0.016 0.000 2.047 154 C HN 0.811 nan 8.230 nan 0.000 0.465 155 N N 3.486 122.279 118.700 0.155 0.000 2.716 155 N HA -0.190 4.558 4.740 0.015 0.000 0.250 155 N C 0.992 176.575 175.510 0.121 0.000 1.033 155 N CA 2.063 55.178 53.050 0.109 0.000 0.727 155 N CB -1.250 37.313 38.487 0.126 0.000 0.950 155 N HN 1.856 nan 8.380 nan 0.000 0.541 156 G N -1.278 107.581 108.800 0.099 0.000 2.205 156 G HA2 -0.369 3.599 3.960 0.015 0.000 0.261 156 G HA3 -0.369 3.599 3.960 0.015 0.000 0.261 156 G C 0.144 175.214 174.900 0.284 0.000 0.980 156 G CA 0.651 45.802 45.100 0.086 0.000 0.632 156 G HN 0.558 nan 8.290 nan 0.000 0.533 157 R N -0.957 119.778 120.500 0.393 0.000 2.393 157 R HA 0.418 4.766 4.340 0.015 0.000 0.310 157 R C -0.247 176.376 176.300 0.538 0.000 0.968 157 R CA -0.892 55.515 56.100 0.511 0.000 0.867 157 R CB 1.098 31.726 30.300 0.547 0.000 1.124 157 R HN 0.204 nan 8.270 nan 0.000 0.450 158 W N 3.793 125.264 121.300 0.286 0.000 2.251 158 W HA 0.043 4.711 4.660 0.014 0.000 0.327 158 W C 0.161 176.581 176.519 -0.164 0.000 1.361 158 W CA 0.081 57.284 57.345 -0.237 0.000 1.234 158 W CB 0.650 29.960 29.460 -0.251 0.000 1.212 158 W HN 0.350 nan 8.180 nan 0.000 0.557 159 V N 5.448 124.639 119.914 -1.205 0.000 2.490 159 V HA 0.527 4.656 4.120 0.015 0.000 0.238 159 V C 1.128 176.224 176.094 -1.662 0.000 1.056 159 V CA 1.129 62.681 62.300 -1.247 0.000 1.075 159 V CB -0.658 30.502 31.823 -1.105 0.000 0.746 159 V HN 0.831 nan 8.190 nan 0.000 0.479 160 G N -1.847 105.718 108.800 -2.059 0.000 2.341 160 G HA2 0.457 4.425 3.960 0.015 0.000 0.299 160 G HA3 0.457 4.425 3.960 0.015 0.000 0.299 160 G C -2.441 171.966 174.900 -0.822 0.000 1.274 160 G CA -0.257 43.979 45.100 -1.439 0.000 0.853 160 G HN 0.028 nan 8.290 nan 0.000 0.493 161 Y N -0.473 119.521 120.300 -0.510 0.000 2.571 161 Y HA 0.709 5.267 4.550 0.014 0.000 0.341 161 Y C -0.060 175.608 175.900 -0.388 0.000 1.076 161 Y CA -0.108 57.656 58.100 -0.559 0.000 1.029 161 Y CB 2.212 40.525 38.460 -0.245 0.000 1.308 161 Y HN 1.221 nan 8.280 nan 0.000 0.461 162 G N 3.617 111.538 108.800 -1.464 0.000 2.696 162 G HA2 0.609 4.578 3.960 0.015 0.000 0.295 162 G HA3 0.609 4.578 3.960 0.015 0.000 0.295 162 G C -2.049 172.347 174.900 -0.841 0.000 1.398 162 G CA -0.873 43.683 45.100 -0.906 0.000 0.920 162 G HN 0.613 nan 8.290 nan 0.000 0.492 163 Q N -0.251 119.333 119.800 -0.361 0.000 2.552 163 Q HA 0.586 4.935 4.340 0.015 0.000 0.289 163 Q C -1.380 174.616 176.000 -0.006 0.000 1.097 163 Q CA -0.866 54.864 55.803 -0.122 0.000 0.812 163 Q CB 2.655 31.383 28.738 -0.017 0.000 1.460 163 Q HN 0.625 nan 8.270 nan 0.000 0.452 164 D N -0.120 120.315 120.400 0.058 0.000 4.370 164 D HA -0.096 4.553 4.640 0.015 0.000 0.238 164 D C -0.561 175.803 176.300 0.105 0.000 1.104 164 D CA 0.396 54.446 54.000 0.084 0.000 1.101 164 D CB -0.643 40.192 40.800 0.057 0.000 0.749 164 D HN 0.543 nan 8.370 nan 0.000 0.351 165 S N 3.075 118.851 115.700 0.125 0.000 2.547 165 S HA -0.053 4.426 4.470 0.015 0.000 0.235 165 S C 1.552 176.290 174.600 0.229 0.000 0.980 165 S CA 0.490 58.795 58.200 0.175 0.000 0.941 165 S CB 0.265 63.525 63.200 0.101 0.000 0.763 165 S HN 0.441 nan 8.310 nan 0.000 0.532 166 R N 0.154 120.747 120.500 0.156 0.000 2.543 166 R HA 0.424 4.773 4.340 0.015 0.000 0.323 166 R C -0.424 175.937 176.300 0.100 0.000 1.002 166 R CA 0.065 56.258 56.100 0.155 0.000 1.106 166 R CB 0.228 30.642 30.300 0.190 0.000 1.280 166 R HN 0.322 nan 8.270 nan 0.000 0.549 167 L N 1.613 122.869 121.223 0.054 0.000 2.371 167 L HA 0.512 4.860 4.340 0.015 0.000 0.262 167 L C -2.395 174.455 176.870 -0.033 0.000 1.006 167 L CA -2.286 52.555 54.840 0.001 0.000 0.818 167 L CB 2.944 44.995 42.059 -0.014 0.000 1.354 167 L HN -0.215 nan 8.230 nan 0.000 0.415 168 P HA 0.108 nan 4.420 nan 0.000 0.271 168 P C -0.962 176.304 177.300 -0.056 0.000 1.216 168 P CA -0.209 62.848 63.100 -0.072 0.000 0.776 168 P CB 1.183 32.801 31.700 -0.136 0.000 0.881 169 S N 1.986 117.714 115.700 0.048 0.000 2.449 169 S HA 0.322 4.800 4.470 0.015 0.000 0.310 169 S C -0.380 174.176 174.600 -0.072 0.000 1.096 169 S CA -0.566 57.619 58.200 -0.026 0.000 1.095 169 S CB 0.810 64.154 63.200 0.239 0.000 1.007 169 S HN 0.367 nan 8.310 nan 0.000 0.474 170 E N 1.974 121.919 120.200 -0.425 0.000 2.238 170 E HA 0.595 4.954 4.350 0.015 0.000 0.267 170 E C -1.446 174.711 176.600 -0.739 0.000 0.887 170 E CA -0.590 55.617 56.400 -0.321 0.000 0.769 170 E CB 1.708 31.334 29.700 -0.124 0.000 1.187 170 E HN 0.409 nan 8.360 nan 0.000 0.416 171 F N 0.504 120.501 119.950 0.079 0.000 2.578 171 F HA 0.208 4.744 4.527 0.015 0.000 0.311 171 F C -0.123 175.693 175.800 0.027 0.000 1.094 171 F CA -1.136 56.876 58.000 0.020 0.000 0.923 171 F CB 1.596 40.578 39.000 -0.029 0.000 1.230 171 F HN 0.285 nan 8.300 nan 0.000 0.450 172 D N 2.719 123.239 120.400 0.200 0.000 2.325 172 D HA 0.235 4.883 4.640 0.015 0.000 0.251 172 D C 0.314 176.752 176.300 0.230 0.000 1.196 172 D CA 0.276 54.379 54.000 0.170 0.000 0.866 172 D CB 0.970 41.853 40.800 0.138 0.000 1.101 172 D HN 0.574 nan 8.370 nan 0.000 0.476 173 L N 2.748 124.107 121.223 0.228 0.000 2.640 173 L HA 0.027 4.375 4.340 0.015 0.000 0.230 173 L C 2.112 179.222 176.870 0.400 0.000 1.123 173 L CA -0.163 54.866 54.840 0.315 0.000 0.900 173 L CB 0.021 42.231 42.059 0.252 0.000 1.146 173 L HN 0.284 nan 8.230 nan 0.000 0.484 174 S N 1.447 117.313 115.700 0.277 0.000 2.381 174 S HA -0.297 4.182 4.470 0.015 0.000 0.230 174 S C 2.023 176.732 174.600 0.181 0.000 1.052 174 S CA 1.877 60.201 58.200 0.207 0.000 1.068 174 S CB -0.210 63.070 63.200 0.134 0.000 0.918 174 S HN 0.569 nan 8.310 nan 0.000 0.448 175 A N -0.598 122.314 122.820 0.154 0.000 2.238 175 A HA 0.338 4.667 4.320 0.015 0.000 0.208 175 A C 1.278 178.752 177.584 -0.184 0.000 1.177 175 A CA 0.298 52.303 52.037 -0.052 0.000 0.804 175 A CB -0.419 18.464 19.000 -0.194 0.000 0.823 175 A HN 0.474 nan 8.150 nan 0.000 0.482 176 F N -0.539 119.463 119.950 0.086 0.000 2.720 176 F HA 0.341 4.876 4.527 0.014 0.000 0.301 176 F C 0.684 176.534 175.800 0.083 0.000 1.103 176 F CA -0.322 57.730 58.000 0.086 0.000 1.291 176 F CB 0.013 39.076 39.000 0.104 0.000 1.086 176 F HN -0.035 nan 8.300 nan 0.000 0.592 177 L N 2.270 123.657 121.223 0.273 0.000 2.461 177 L HA 0.264 4.613 4.340 0.015 0.000 0.272 177 L C 0.433 177.353 176.870 0.083 0.000 1.197 177 L CA 0.010 54.957 54.840 0.179 0.000 0.836 177 L CB 0.494 42.671 42.059 0.196 0.000 1.105 177 L HN 0.168 nan 8.230 nan 0.000 0.477 178 R N 2.130 122.640 120.500 0.017 0.000 2.836 178 R HA 0.814 5.163 4.340 0.015 0.000 0.269 178 R C -1.028 175.244 176.300 -0.046 0.000 1.010 178 R CA -0.949 55.145 56.100 -0.011 0.000 0.930 178 R CB 1.441 31.730 30.300 -0.017 0.000 1.218 178 R HN 0.524 nan 8.270 nan 0.000 0.473 179 A N 0.960 123.758 122.820 -0.035 0.000 2.445 179 A HA 0.515 4.844 4.320 0.015 0.000 0.242 179 A C 1.043 178.581 177.584 -0.077 0.000 1.075 179 A CA 0.927 52.935 52.037 -0.049 0.000 0.777 179 A CB -0.624 18.355 19.000 -0.034 0.000 1.013 179 A HN 1.377 nan 8.150 nan 0.000 0.493 180 G N 1.052 109.796 108.800 -0.094 0.000 2.498 180 G HA2 -0.176 3.792 3.960 0.015 0.000 0.245 180 G HA3 -0.176 3.792 3.960 0.015 0.000 0.245 180 G C -0.106 174.695 174.900 -0.165 0.000 1.204 180 G CA 0.222 45.257 45.100 -0.109 0.000 0.933 180 G HN 1.002 nan 8.290 nan 0.000 0.574 181 E N 1.590 121.697 120.200 -0.155 0.000 2.316 181 E HA 0.330 4.688 4.350 0.015 0.000 0.275 181 E C 0.040 176.477 176.600 -0.271 0.000 1.029 181 E CA -0.190 56.088 56.400 -0.203 0.000 0.871 181 E CB 0.376 29.995 29.700 -0.134 0.000 1.022 181 E HN 0.412 nan 8.360 nan 0.000 0.418 182 N N 2.555 120.965 118.700 -0.483 0.000 2.362 182 N HA 0.399 5.148 4.740 0.015 0.000 0.299 182 N C -0.793 174.530 175.510 -0.311 0.000 1.170 182 N CA -0.677 52.057 53.050 -0.527 0.000 0.825 182 N CB 2.137 40.031 38.487 -0.989 0.000 1.299 182 N HN 0.256 nan 8.380 nan 0.000 0.502 183 R N 1.623 122.090 120.500 -0.055 0.000 2.476 183 R HA 0.465 4.813 4.340 0.015 0.000 0.305 183 R C -1.256 175.139 176.300 0.159 0.000 0.965 183 R CA -0.457 55.678 56.100 0.058 0.000 0.867 183 R CB 0.932 31.214 30.300 -0.030 0.000 1.176 183 R HN 0.476 nan 8.270 nan 0.000 0.447 184 L N 3.040 124.373 121.223 0.184 0.000 2.322 184 L HA 0.759 5.107 4.340 0.015 0.000 0.279 184 L C -0.300 176.646 176.870 0.128 0.000 1.036 184 L CA -0.916 54.036 54.840 0.186 0.000 0.807 184 L CB 1.974 44.135 42.059 0.170 0.000 1.226 184 L HN 0.746 nan 8.230 nan 0.000 0.433 185 A N 3.151 126.058 122.820 0.145 0.000 2.353 185 A HA 0.740 5.069 4.320 0.015 0.000 0.299 185 A C -1.079 176.807 177.584 0.504 0.000 1.089 185 A CA -0.439 51.593 52.037 -0.008 0.000 0.736 185 A CB 1.476 19.944 19.000 -0.887 0.000 1.195 185 A HN 0.371 nan 8.150 nan 0.000 0.447 186 V N 3.518 123.902 119.914 0.784 0.000 2.443 186 V HA 0.446 4.575 4.120 0.015 0.000 0.293 186 V C -0.085 176.540 176.094 0.886 0.000 1.021 186 V CA -0.287 62.457 62.300 0.739 0.000 0.848 186 V CB 1.576 33.645 31.823 0.410 0.000 0.998 186 V HN 0.963 nan 8.190 nan 0.000 0.424 187 M N 6.067 126.215 119.600 0.915 0.000 2.055 187 M HA 0.522 5.010 4.480 0.015 0.000 0.347 187 M C -1.349 175.210 176.300 0.432 0.000 1.123 187 M CA -0.345 55.315 55.300 0.600 0.000 1.035 187 M CB 0.932 33.945 32.600 0.689 0.000 1.484 187 M HN 0.484 nan 8.290 nan 0.000 0.428 188 V N 6.706 126.831 119.914 0.351 0.000 2.394 188 V HA 0.382 4.511 4.120 0.015 0.000 0.282 188 V C -0.146 176.108 176.094 0.268 0.000 1.031 188 V CA -0.669 61.835 62.300 0.339 0.000 0.881 188 V CB 1.405 33.508 31.823 0.467 0.000 0.982 188 V HN 0.776 nan 8.190 nan 0.000 0.451 189 L N 4.833 126.143 121.223 0.144 0.000 2.289 189 L HA 0.530 4.878 4.340 0.015 0.000 0.285 189 L C 1.517 178.392 176.870 0.007 0.000 1.049 189 L CA -0.298 54.549 54.840 0.011 0.000 0.804 189 L CB 1.036 42.995 42.059 -0.167 0.000 1.195 189 L HN 0.598 nan 8.230 nan 0.000 0.428 190 R N 2.634 123.094 120.500 -0.068 0.000 2.070 190 R HA -0.048 4.301 4.340 0.015 0.000 0.233 190 R C -0.341 175.631 176.300 -0.547 0.000 1.137 190 R CA 1.345 57.170 56.100 -0.457 0.000 0.945 190 R CB 0.173 30.070 30.300 -0.671 0.000 0.845 190 R HN 0.574 nan 8.270 nan 0.000 0.430 191 W N 0.114 121.466 121.300 0.087 0.000 2.627 191 W HA 0.405 5.073 4.660 0.014 0.000 0.339 191 W C -0.281 176.337 176.519 0.164 0.000 1.058 191 W CA -0.752 56.652 57.345 0.098 0.000 1.223 191 W CB 1.773 31.296 29.460 0.104 0.000 1.389 191 W HN 0.069 nan 8.180 nan 0.000 0.541 192 S N -1.058 114.911 115.700 0.449 0.000 2.688 192 S HA 0.215 4.694 4.470 0.015 0.000 0.275 192 S C 0.107 174.960 174.600 0.422 0.000 1.175 192 S CA -0.426 58.057 58.200 0.471 0.000 0.818 192 S CB 1.172 64.618 63.200 0.411 0.000 1.157 192 S HN 0.614 nan 8.310 nan 0.000 0.482 193 D N 0.355 121.009 120.400 0.423 0.000 2.263 193 D HA 0.072 4.720 4.640 0.015 0.000 0.208 193 D C 1.797 178.406 176.300 0.515 0.000 0.971 193 D CA 1.181 55.472 54.000 0.486 0.000 0.867 193 D CB -0.749 40.204 40.800 0.255 0.000 0.929 193 D HN 0.697 nan 8.370 nan 0.000 0.492 194 G N 0.184 109.204 108.800 0.366 0.000 2.450 194 G HA2 -0.289 3.680 3.960 0.015 0.000 0.220 194 G HA3 -0.289 3.680 3.960 0.015 0.000 0.220 194 G C 1.729 176.813 174.900 0.306 0.000 1.130 194 G CA 0.835 46.121 45.100 0.311 0.000 0.760 194 G HN 0.328 nan 8.290 nan 0.000 0.557 195 S N -0.055 115.813 115.700 0.280 0.000 2.419 195 S HA -0.116 4.363 4.470 0.015 0.000 0.235 195 S C 1.925 176.627 174.600 0.169 0.000 1.019 195 S CA 0.852 59.187 58.200 0.226 0.000 0.982 195 S CB -0.412 62.932 63.200 0.240 0.000 0.789 195 S HN 0.554 nan 8.310 nan 0.000 0.490 196 Y N 1.238 121.675 120.300 0.227 0.000 2.403 196 Y HA 0.053 4.611 4.550 0.014 0.000 0.291 196 Y C 1.630 177.652 175.900 0.203 0.000 1.143 196 Y CA 0.667 58.825 58.100 0.096 0.000 1.257 196 Y CB -0.230 38.157 38.460 -0.122 0.000 0.984 196 Y HN 0.202 nan 8.280 nan 0.000 0.550 197 L N -0.332 121.097 121.223 0.344 0.000 2.628 197 L HA 0.122 4.471 4.340 0.015 0.000 0.229 197 L C -0.011 177.006 176.870 0.245 0.000 1.137 197 L CA 0.414 55.412 54.840 0.263 0.000 0.909 197 L CB 0.036 42.249 42.059 0.258 0.000 1.137 197 L HN 0.137 nan 8.230 nan 0.000 0.470 198 E N -0.114 120.243 120.200 0.262 0.000 3.846 198 E HA 0.045 4.404 4.350 0.015 0.000 0.216 198 E C -0.485 176.234 176.600 0.197 0.000 1.092 198 E CA -0.072 56.465 56.400 0.229 0.000 1.370 198 E CB 0.500 30.323 29.700 0.204 0.000 1.227 198 E HN 0.024 nan 8.360 nan 0.000 0.442 199 D N 1.129 121.609 120.400 0.134 0.000 2.538 199 D HA 0.023 4.671 4.640 0.015 0.000 0.234 199 D C -0.225 176.082 176.300 0.012 0.000 1.191 199 D CA -0.096 53.875 54.000 -0.049 0.000 0.828 199 D CB 0.158 40.680 40.800 -0.465 0.000 0.981 199 D HN 0.071 nan 8.370 nan 0.000 0.490 200 Q N 0.525 120.424 119.800 0.166 0.000 2.395 200 Q HA 0.089 4.438 4.340 0.015 0.000 0.271 200 Q C -0.079 176.053 176.000 0.219 0.000 1.026 200 Q CA 0.150 56.123 55.803 0.283 0.000 0.900 200 Q CB 0.560 29.624 28.738 0.544 0.000 1.266 200 Q HN 0.063 nan 8.270 nan 0.000 0.430 201 D N 3.388 123.941 120.400 0.255 0.000 2.441 201 D HA 0.162 4.811 4.640 0.015 0.000 0.243 201 D C -0.756 175.697 176.300 0.256 0.000 1.257 201 D CA 0.165 54.289 54.000 0.207 0.000 1.027 201 D CB -0.427 40.501 40.800 0.213 0.000 1.084 201 D HN 0.502 nan 8.370 nan 0.000 0.514 202 M N 0.473 120.195 119.600 0.204 0.000 3.012 202 M HA 0.356 4.845 4.480 0.015 0.000 0.272 202 M C -1.367 175.041 176.300 0.179 0.000 1.187 202 M CA -1.154 54.199 55.300 0.088 0.000 0.813 202 M CB 0.979 33.576 32.600 -0.005 0.000 1.626 202 M HN -0.074 nan 8.290 nan 0.000 0.507 203 W N 1.960 123.345 121.300 0.142 0.000 2.193 203 W HA 0.303 4.972 4.660 0.015 0.000 0.338 203 W C 0.306 176.849 176.519 0.040 0.000 1.310 203 W CA -0.035 57.386 57.345 0.126 0.000 1.243 203 W CB 0.393 29.865 29.460 0.021 0.000 1.165 203 W HN 0.304 nan 8.180 nan 0.000 0.566 204 R N 4.832 125.516 120.500 0.307 0.000 2.204 204 R HA 0.395 4.743 4.340 0.015 0.000 0.341 204 R C -0.155 176.147 176.300 0.004 0.000 1.035 204 R CA -0.177 56.015 56.100 0.153 0.000 0.887 204 R CB 0.116 30.576 30.300 0.268 0.000 1.114 204 R HN 0.558 nan 8.270 nan 0.000 0.473 205 M N 0.211 119.700 119.600 -0.185 0.000 2.739 205 M HA 0.522 5.011 4.480 0.015 0.000 0.284 205 M C 0.002 175.948 176.300 -0.590 0.000 1.103 205 M CA -0.812 54.263 55.300 -0.377 0.000 0.809 205 M CB 2.191 34.566 32.600 -0.376 0.000 1.708 205 M HN 0.624 nan 8.290 nan 0.000 0.481 206 S N -1.250 113.965 115.700 -0.808 0.000 2.611 206 S HA 0.940 5.419 4.470 0.015 0.000 0.268 206 S C -0.623 173.435 174.600 -0.904 0.000 1.156 206 S CA -0.181 57.454 58.200 -0.941 0.000 0.817 206 S CB 1.715 64.190 63.200 -1.208 0.000 1.122 206 S HN 1.479 nan 8.310 nan 0.000 0.466 207 G N 0.011 108.514 108.800 -0.495 0.000 2.331 207 G HA2 0.172 4.141 3.960 0.015 0.000 0.402 207 G HA3 0.172 4.141 3.960 0.015 0.000 0.402 207 G C -1.456 173.426 174.900 -0.030 0.000 1.275 207 G CA -0.589 44.527 45.100 0.027 0.000 1.003 207 G HN 1.195 nan 8.290 nan 0.000 0.500 208 I N 2.054 122.469 120.570 -0.258 0.000 2.276 208 I HA 0.294 4.473 4.170 0.015 0.000 0.290 208 I C 1.068 177.057 176.117 -0.214 0.000 1.109 208 I CA -0.220 60.834 61.300 -0.410 0.000 1.229 208 I CB -0.161 37.327 38.000 -0.854 0.000 1.452 208 I HN 0.518 nan 8.210 nan 0.000 0.497 209 F N 4.191 123.985 119.950 -0.261 0.000 2.695 209 F HA 0.472 5.007 4.527 0.014 0.000 0.303 209 F C 0.701 176.421 175.800 -0.134 0.000 1.091 209 F CA -0.559 57.324 58.000 -0.195 0.000 1.300 209 F CB 0.152 39.041 39.000 -0.187 0.000 1.071 209 F HN 0.138 nan 8.300 nan 0.000 0.578 210 R N 0.524 120.591 120.500 -0.722 0.000 2.930 210 R HA 0.242 4.591 4.340 0.015 0.000 0.257 210 R C -0.701 175.398 176.300 -0.336 0.000 1.107 210 R CA -1.170 54.619 56.100 -0.518 0.000 0.999 210 R CB 0.732 30.636 30.300 -0.659 0.000 1.209 210 R HN -0.024 nan 8.270 nan 0.000 0.486 211 D N 0.703 120.955 120.400 -0.246 0.000 2.443 211 D HA 0.089 4.738 4.640 0.015 0.000 0.234 211 D C -0.430 175.743 176.300 -0.212 0.000 1.172 211 D CA 0.454 54.349 54.000 -0.176 0.000 0.878 211 D CB 0.635 41.365 40.800 -0.116 0.000 1.204 211 D HN -0.017 nan 8.370 nan 0.000 0.453 212 V N 0.810 120.613 119.914 -0.185 0.000 2.604 212 V HA 0.578 4.706 4.120 0.015 0.000 0.305 212 V C 0.003 175.993 176.094 -0.174 0.000 1.043 212 V CA -0.560 61.572 62.300 -0.279 0.000 0.888 212 V CB 1.788 33.464 31.823 -0.245 0.000 0.995 212 V HN 0.779 nan 8.190 nan 0.000 0.429 213 S N 4.303 119.871 115.700 -0.221 0.000 2.638 213 S HA 0.846 5.325 4.470 0.015 0.000 0.274 213 S C -1.312 173.222 174.600 -0.110 0.000 1.157 213 S CA -0.953 57.180 58.200 -0.112 0.000 0.826 213 S CB 1.855 65.024 63.200 -0.051 0.000 1.139 213 S HN 0.455 nan 8.310 nan 0.000 0.474 214 L N 1.289 122.510 121.223 -0.003 0.000 2.341 214 L HA 0.714 5.062 4.340 0.015 0.000 0.278 214 L C -1.440 175.503 176.870 0.123 0.000 1.005 214 L CA -0.858 54.032 54.840 0.083 0.000 0.818 214 L CB 1.734 43.939 42.059 0.243 0.000 1.259 214 L HN 0.666 nan 8.230 nan 0.000 0.418 215 L N 3.143 124.382 121.223 0.027 0.000 2.406 215 L HA 0.407 4.756 4.340 0.015 0.000 0.272 215 L C -0.784 175.951 176.870 -0.225 0.000 0.980 215 L CA -0.097 54.705 54.840 -0.063 0.000 0.831 215 L CB 1.416 43.461 42.059 -0.023 0.000 1.253 215 L HN 0.518 nan 8.230 nan 0.000 0.406 216 H N 5.725 124.431 119.070 -0.606 0.000 2.641 216 H HA 0.392 4.957 4.556 0.015 0.000 0.295 216 H C -1.022 174.026 175.328 -0.468 0.000 1.070 216 H CA -0.653 54.883 56.048 -0.852 0.000 1.257 216 H CB 0.755 29.325 29.762 -1.987 0.000 1.393 216 H HN 0.523 nan 8.280 nan 0.000 0.464 217 K N 5.163 125.192 120.400 -0.619 0.000 2.166 217 K HA 0.375 4.704 4.320 0.015 0.000 0.245 217 K C -2.608 173.673 176.600 -0.533 0.000 0.967 217 K CA -1.967 54.035 56.287 -0.475 0.000 0.863 217 K CB 1.683 34.006 32.500 -0.295 0.000 1.107 217 K HN 0.495 nan 8.250 nan 0.000 0.436 218 P HA 0.074 nan 4.420 nan 0.000 0.276 218 P C 0.688 177.876 177.300 -0.187 0.000 1.244 218 P CA -0.138 62.811 63.100 -0.251 0.000 0.801 218 P CB 0.323 31.933 31.700 -0.150 0.000 1.006 219 T N -2.807 111.669 114.554 -0.129 0.000 2.867 219 T HA -0.040 4.319 4.350 0.015 0.000 0.268 219 T C 0.686 175.333 174.700 -0.088 0.000 1.057 219 T CA 1.252 63.297 62.100 -0.092 0.000 1.136 219 T CB -0.972 67.862 68.868 -0.056 0.000 0.874 219 T HN 0.300 nan 8.240 nan 0.000 0.466 220 T N 3.236 117.742 114.554 -0.081 0.000 2.753 220 T HA 0.499 4.858 4.350 0.015 0.000 0.297 220 T C -0.391 174.253 174.700 -0.092 0.000 0.981 220 T CA -0.777 61.270 62.100 -0.088 0.000 0.956 220 T CB 0.918 69.749 68.868 -0.062 0.000 0.936 220 T HN 0.687 nan 8.240 nan 0.000 0.463 221 Q N 2.544 122.278 119.800 -0.111 0.000 2.626 221 Q HA 0.611 4.960 4.340 0.015 0.000 0.300 221 Q C -1.203 174.734 176.000 -0.105 0.000 0.988 221 Q CA -1.180 54.550 55.803 -0.121 0.000 0.761 221 Q CB 1.305 29.947 28.738 -0.161 0.000 1.494 221 Q HN 0.446 nan 8.270 nan 0.000 0.439 222 I N 2.584 123.067 120.570 -0.146 0.000 2.436 222 I HA 0.026 4.204 4.170 0.015 0.000 0.289 222 I C 0.756 176.783 176.117 -0.150 0.000 1.083 222 I CA 0.061 61.292 61.300 -0.115 0.000 1.372 222 I CB 1.077 38.963 38.000 -0.189 0.000 1.408 222 I HN 0.877 nan 8.210 nan 0.000 0.516 223 S N 2.713 118.437 115.700 0.039 0.000 2.502 223 S HA 0.200 4.679 4.470 0.015 0.000 0.215 223 S C 0.177 174.997 174.600 0.367 0.000 1.009 223 S CA -0.232 58.062 58.200 0.156 0.000 0.908 223 S CB 0.327 63.569 63.200 0.071 0.000 0.801 223 S HN 0.709 nan 8.310 nan 0.000 0.505 224 D N -0.328 120.274 120.400 0.337 0.000 2.728 224 D HA 0.516 5.165 4.640 0.015 0.000 0.249 224 D C -1.917 174.564 176.300 0.302 0.000 1.225 224 D CA -0.719 53.479 54.000 0.330 0.000 0.748 224 D CB 1.521 42.405 40.800 0.139 0.000 1.326 224 D HN 0.223 nan 8.370 nan 0.000 0.426 225 F N -0.639 119.356 119.950 0.075 0.000 2.650 225 F HA 0.619 5.155 4.527 0.015 0.000 0.310 225 F C -1.569 174.275 175.800 0.074 0.000 1.112 225 F CA -0.799 57.181 58.000 -0.034 0.000 0.986 225 F CB 1.253 40.281 39.000 0.046 0.000 1.285 225 F HN 0.252 nan 8.300 nan 0.000 0.440 226 H N 1.922 121.068 119.070 0.127 0.000 2.589 226 H HA 0.735 5.300 4.556 0.015 0.000 0.351 226 H C -1.294 174.073 175.328 0.065 0.000 1.074 226 H CA -1.485 54.563 56.048 -0.000 0.000 1.203 226 H CB 2.597 32.342 29.762 -0.029 0.000 1.558 226 H HN 0.613 nan 8.280 nan 0.000 0.522 227 V N 2.283 122.294 119.914 0.162 0.000 2.459 227 V HA 0.685 4.813 4.120 0.015 0.000 0.295 227 V C -0.161 175.928 176.094 -0.008 0.000 1.029 227 V CA -0.568 61.781 62.300 0.080 0.000 0.874 227 V CB 1.311 33.177 31.823 0.072 0.000 0.985 227 V HN 0.933 nan 8.190 nan 0.000 0.438 228 A N 3.185 125.976 122.820 -0.049 0.000 2.413 228 A HA 0.946 5.275 4.320 0.015 0.000 0.307 228 A C -0.159 177.319 177.584 -0.176 0.000 1.087 228 A CA -0.526 51.460 52.037 -0.085 0.000 0.750 228 A CB 2.009 20.982 19.000 -0.046 0.000 1.296 228 A HN 0.925 nan 8.150 nan 0.000 0.423 229 T N -0.119 114.313 114.554 -0.204 0.000 2.847 229 T HA 0.716 5.075 4.350 0.015 0.000 0.291 229 T C -0.482 173.988 174.700 -0.383 0.000 0.998 229 T CA -0.648 61.233 62.100 -0.366 0.000 0.967 229 T CB 0.901 69.460 68.868 -0.516 0.000 0.954 229 T HN 0.689 nan 8.240 nan 0.000 0.441 230 R N 1.927 122.131 120.500 -0.493 0.000 2.732 230 R HA 0.807 5.156 4.340 0.015 0.000 0.278 230 R C -1.110 174.759 176.300 -0.718 0.000 0.976 230 R CA -0.757 55.120 56.100 -0.373 0.000 0.963 230 R CB 1.465 31.669 30.300 -0.160 0.000 1.150 230 R HN 0.551 nan 8.270 nan 0.000 0.478 231 F N 0.238 120.158 119.950 -0.049 0.000 2.611 231 F HA 0.349 4.884 4.527 0.013 0.000 0.324 231 F C 0.456 176.114 175.800 -0.237 0.000 1.061 231 F CA -1.136 56.776 58.000 -0.146 0.000 0.954 231 F CB 1.072 39.865 39.000 -0.345 0.000 1.301 231 F HN 0.537 nan 8.300 nan 0.000 0.482 232 N N -0.046 118.634 118.700 -0.032 0.000 2.364 232 N HA 0.064 4.812 4.740 0.015 0.000 0.264 232 N C 0.461 175.836 175.510 -0.225 0.000 1.263 232 N CA -0.182 52.813 53.050 -0.091 0.000 0.959 232 N CB 0.118 38.582 38.487 -0.038 0.000 1.204 232 N HN 0.660 nan 8.380 nan 0.000 0.550 233 D N -1.171 119.148 120.400 -0.134 0.000 2.158 233 D HA -0.250 4.399 4.640 0.015 0.000 0.197 233 D C 0.336 176.582 176.300 -0.090 0.000 0.995 233 D CA 1.688 55.617 54.000 -0.118 0.000 0.846 233 D CB -0.549 40.234 40.800 -0.027 0.000 0.941 233 D HN 0.753 nan 8.370 nan 0.000 0.456 234 D N -1.771 118.619 120.400 -0.017 0.000 2.462 234 D HA 0.035 4.684 4.640 0.015 0.000 0.221 234 D C 0.143 176.632 176.300 0.315 0.000 1.173 234 D CA -0.918 53.184 54.000 0.170 0.000 0.831 234 D CB -0.905 39.980 40.800 0.141 0.000 1.001 234 D HN 0.206 nan 8.370 nan 0.000 0.499 235 F N 0.233 120.247 119.950 0.107 0.000 2.914 235 F HA -0.308 4.227 4.527 0.012 0.000 0.304 235 F C 1.754 177.642 175.800 0.147 0.000 0.712 235 F CA 0.845 58.923 58.000 0.131 0.000 1.211 235 F CB -2.453 36.522 39.000 -0.042 0.000 1.515 235 F HN 0.204 nan 8.300 nan 0.000 0.350 236 S N -1.063 114.759 115.700 0.204 0.000 2.527 236 S HA 0.228 4.706 4.470 0.015 0.000 0.222 236 S C 0.687 175.350 174.600 0.106 0.000 0.985 236 S CA 0.265 58.549 58.200 0.140 0.000 0.921 236 S CB 0.300 63.556 63.200 0.092 0.000 0.772 236 S HN 0.486 nan 8.310 nan 0.000 0.529 237 R N 0.009 120.578 120.500 0.115 0.000 2.725 237 R HA 0.816 5.165 4.340 0.015 0.000 0.277 237 R C -1.295 175.045 176.300 0.066 0.000 0.987 237 R CA -0.222 55.913 56.100 0.058 0.000 0.901 237 R CB 2.262 32.568 30.300 0.010 0.000 1.207 237 R HN 0.247 nan 8.270 nan 0.000 0.463 238 A N 1.397 124.200 122.820 -0.029 0.000 2.556 238 A HA 0.731 5.060 4.320 0.015 0.000 0.294 238 A C -1.411 176.094 177.584 -0.132 0.000 1.091 238 A CA -0.667 51.266 52.037 -0.174 0.000 0.704 238 A CB 1.966 20.844 19.000 -0.203 0.000 1.300 238 A HN 0.338 nan 8.150 nan 0.000 0.406 239 V N 1.575 121.370 119.914 -0.197 0.000 2.448 239 V HA 0.456 4.585 4.120 0.015 0.000 0.295 239 V C -0.432 175.583 176.094 -0.133 0.000 1.025 239 V CA -0.392 61.835 62.300 -0.122 0.000 0.859 239 V CB 1.422 33.177 31.823 -0.113 0.000 0.988 239 V HN 0.797 nan 8.190 nan 0.000 0.431 240 L N 4.514 125.700 121.223 -0.062 0.000 2.264 240 L HA 0.621 4.970 4.340 0.015 0.000 0.289 240 L C -0.090 176.731 176.870 -0.081 0.000 1.044 240 L CA 0.018 54.799 54.840 -0.097 0.000 0.807 240 L CB 1.127 43.155 42.059 -0.051 0.000 1.192 240 L HN 0.768 nan 8.230 nan 0.000 0.425 241 E N 3.972 124.120 120.200 -0.086 0.000 2.187 241 E HA 0.698 5.057 4.350 0.015 0.000 0.268 241 E C -1.419 175.166 176.600 -0.024 0.000 0.896 241 E CA -0.714 55.654 56.400 -0.052 0.000 0.766 241 E CB 1.848 31.518 29.700 -0.049 0.000 1.142 241 E HN 0.698 nan 8.360 nan 0.000 0.408 242 A N 4.326 127.140 122.820 -0.011 0.000 2.332 242 A HA 0.338 4.666 4.320 0.015 0.000 0.300 242 A C -0.801 176.788 177.584 0.008 0.000 1.153 242 A CA -0.646 51.408 52.037 0.028 0.000 0.764 242 A CB 1.132 20.149 19.000 0.028 0.000 1.174 242 A HN 0.708 nan 8.150 nan 0.000 0.467 243 E N 2.301 122.506 120.200 0.008 0.000 2.200 243 E HA 0.534 4.892 4.350 0.015 0.000 0.283 243 E C -1.249 175.309 176.600 -0.071 0.000 1.015 243 E CA -0.315 56.048 56.400 -0.061 0.000 0.819 243 E CB 1.046 30.677 29.700 -0.115 0.000 1.081 243 E HN 0.396 nan 8.360 nan 0.000 0.397 244 V N 4.888 124.779 119.914 -0.039 0.000 2.540 244 V HA 0.287 4.416 4.120 0.015 0.000 0.302 244 V C -0.503 175.647 176.094 0.093 0.000 1.035 244 V CA -0.826 61.495 62.300 0.035 0.000 0.873 244 V CB 1.695 33.523 31.823 0.008 0.000 0.992 244 V HN 0.734 nan 8.190 nan 0.000 0.428 245 Q N 4.178 124.038 119.800 0.100 0.000 2.345 245 Q HA 0.847 5.196 4.340 0.015 0.000 0.268 245 Q C -0.813 175.256 176.000 0.115 0.000 1.054 245 Q CA -0.900 54.963 55.803 0.100 0.000 0.835 245 Q CB 2.718 31.448 28.738 -0.012 0.000 1.339 245 Q HN 0.816 nan 8.270 nan 0.000 0.447 246 M N -0.924 118.677 119.600 0.001 0.000 2.716 246 M HA 0.771 5.259 4.480 0.015 0.000 0.307 246 M C -1.354 174.858 176.300 -0.147 0.000 1.223 246 M CA -0.518 54.705 55.300 -0.128 0.000 0.871 246 M CB 1.648 34.007 32.600 -0.402 0.000 1.739 246 M HN 0.519 nan 8.290 nan 0.000 0.475 247 C N 0.891 120.111 119.300 -0.132 0.000 2.712 247 C HA 1.033 5.501 4.460 0.015 0.000 0.308 247 C C 0.536 175.449 174.990 -0.128 0.000 1.201 247 C CA 0.532 59.486 59.018 -0.105 0.000 1.554 247 C CB 0.902 28.607 27.740 -0.059 0.000 2.117 247 C HN 1.399 nan 8.230 nan 0.000 0.480 248 G N 1.862 110.593 108.800 -0.115 0.000 2.362 248 G HA2 0.045 4.014 3.960 0.015 0.000 0.517 248 G HA3 0.045 4.014 3.960 0.015 0.000 0.517 248 G C -1.152 173.671 174.900 -0.128 0.000 1.256 248 G CA -0.601 44.434 45.100 -0.109 0.000 1.027 248 G HN 0.895 nan 8.290 nan 0.000 0.491 249 E N 0.099 120.231 120.200 -0.114 0.000 2.223 249 E HA 0.449 4.807 4.350 0.015 0.000 0.282 249 E C 0.418 176.913 176.600 -0.174 0.000 1.046 249 E CA -0.483 55.846 56.400 -0.119 0.000 0.857 249 E CB 0.329 29.983 29.700 -0.078 0.000 1.055 249 E HN 0.444 nan 8.360 nan 0.000 0.409 250 L N 4.981 126.089 121.223 -0.191 0.000 2.426 250 L HA 0.261 4.609 4.340 0.015 0.000 0.271 250 L C 0.586 177.313 176.870 -0.239 0.000 1.169 250 L CA 0.199 54.897 54.840 -0.237 0.000 0.836 250 L CB 0.399 42.341 42.059 -0.196 0.000 1.112 250 L HN 0.463 nan 8.230 nan 0.000 0.465 251 R N 1.485 121.785 120.500 -0.333 0.000 2.651 251 R HA 0.169 4.518 4.340 0.015 0.000 0.278 251 R C -0.390 175.641 176.300 -0.448 0.000 1.010 251 R CA -0.812 54.994 56.100 -0.491 0.000 0.896 251 R CB 1.763 31.457 30.300 -1.009 0.000 1.211 251 R HN 0.535 nan 8.270 nan 0.000 0.456 252 D N 1.055 121.280 120.400 -0.292 0.000 2.265 252 D HA -0.154 4.495 4.640 0.015 0.000 0.208 252 D C 1.487 177.745 176.300 -0.070 0.000 0.977 252 D CA 1.601 55.525 54.000 -0.127 0.000 0.871 252 D CB 0.041 40.821 40.800 -0.034 0.000 0.925 252 D HN 0.576 nan 8.370 nan 0.000 0.485 253 Y N -0.283 120.029 120.300 0.019 0.000 2.529 253 Y HA 0.268 4.826 4.550 0.015 0.000 0.290 253 Y C 0.719 176.623 175.900 0.006 0.000 1.177 253 Y CA -0.493 57.615 58.100 0.013 0.000 1.305 253 Y CB -0.932 37.536 38.460 0.014 0.000 1.047 253 Y HN -0.191 nan 8.280 nan 0.000 0.522 254 L N 2.595 123.796 121.223 -0.036 0.000 2.439 254 L HA 0.326 4.674 4.340 0.015 0.000 0.269 254 L C 0.240 177.114 176.870 0.006 0.000 1.179 254 L CA -0.123 54.760 54.840 0.071 0.000 0.828 254 L CB 0.467 42.586 42.059 0.101 0.000 1.106 254 L HN 0.158 nan 8.230 nan 0.000 0.467 255 R N 1.713 122.103 120.500 -0.184 0.000 2.799 255 R HA 0.709 5.058 4.340 0.015 0.000 0.270 255 R C -1.495 174.463 176.300 -0.570 0.000 1.010 255 R CA -0.823 55.020 56.100 -0.428 0.000 0.916 255 R CB 2.138 32.103 30.300 -0.559 0.000 1.228 255 R HN 0.274 nan 8.270 nan 0.000 0.469 256 V N 0.675 120.289 119.914 -0.500 0.000 2.656 256 V HA 0.535 4.663 4.120 0.015 0.000 0.307 256 V C -0.342 175.698 176.094 -0.090 0.000 1.051 256 V CA -0.569 61.538 62.300 -0.323 0.000 0.893 256 V CB 2.347 33.909 31.823 -0.435 0.000 0.999 256 V HN 0.722 nan 8.190 nan 0.000 0.426 257 T N 3.613 118.225 114.554 0.097 0.000 2.824 257 T HA 0.639 4.998 4.350 0.015 0.000 0.282 257 T C -0.781 173.928 174.700 0.015 0.000 0.993 257 T CA -0.350 61.807 62.100 0.096 0.000 0.967 257 T CB 1.738 70.694 68.868 0.147 0.000 0.960 257 T HN 0.351 nan 8.240 nan 0.000 0.441 258 V N 3.041 122.944 119.914 -0.018 0.000 2.495 258 V HA 0.635 4.763 4.120 0.015 0.000 0.298 258 V C -0.243 175.844 176.094 -0.011 0.000 1.031 258 V CA -0.577 61.709 62.300 -0.024 0.000 0.871 258 V CB 2.067 33.866 31.823 -0.040 0.000 0.988 258 V HN 0.948 nan 8.190 nan 0.000 0.432 259 S N 4.460 120.179 115.700 0.031 0.000 2.513 259 S HA 0.755 5.234 4.470 0.015 0.000 0.299 259 S C -0.944 173.677 174.600 0.036 0.000 1.087 259 S CA -0.479 57.715 58.200 -0.010 0.000 1.012 259 S CB 1.878 65.120 63.200 0.069 0.000 1.044 259 S HN 0.574 nan 8.310 nan 0.000 0.485 260 L N 2.734 123.885 121.223 -0.120 0.000 2.313 260 L HA 0.726 5.074 4.340 0.015 0.000 0.283 260 L C -1.989 174.828 176.870 -0.089 0.000 1.013 260 L CA -0.113 54.743 54.840 0.028 0.000 0.816 260 L CB 0.682 42.764 42.059 0.039 0.000 1.236 260 L HN 0.720 nan 8.230 nan 0.000 0.419 261 W N 3.655 125.056 121.300 0.168 0.000 2.736 261 W HA 0.565 5.233 4.660 0.014 0.000 0.335 261 W C -0.573 176.071 176.519 0.207 0.000 1.059 261 W CA -0.433 56.999 57.345 0.144 0.000 1.226 261 W CB 1.477 30.972 29.460 0.058 0.000 1.416 261 W HN 0.411 nan 8.180 nan 0.000 0.505 262 Q N 2.728 122.728 119.800 0.333 0.000 2.413 262 Q HA 0.484 4.833 4.340 0.015 0.000 0.258 262 Q C 0.797 176.858 176.000 0.101 0.000 1.037 262 Q CA 0.481 56.333 55.803 0.081 0.000 0.764 262 Q CB 0.639 29.380 28.738 0.006 0.000 1.217 262 Q HN 0.780 nan 8.270 nan 0.000 0.490 263 G N 3.618 112.461 108.800 0.072 0.000 2.611 263 G HA2 -0.386 3.583 3.960 0.015 0.000 0.301 263 G HA3 -0.386 3.583 3.960 0.015 0.000 0.301 263 G C 0.231 175.219 174.900 0.146 0.000 1.233 263 G CA 0.526 45.662 45.100 0.061 0.000 0.993 263 G HN 0.724 nan 8.290 nan 0.000 0.553 264 E N 0.718 120.997 120.200 0.131 0.000 2.437 264 E HA 0.292 4.651 4.350 0.015 0.000 0.189 264 E C 0.338 177.169 176.600 0.384 0.000 1.054 264 E CA 0.455 56.973 56.400 0.197 0.000 0.874 264 E CB 0.364 30.120 29.700 0.094 0.000 1.011 264 E HN 0.333 nan 8.360 nan 0.000 0.474 265 T N 1.194 115.937 114.554 0.315 0.000 2.767 265 T HA 0.118 4.476 4.350 0.015 0.000 0.288 265 T C -0.332 174.396 174.700 0.047 0.000 0.963 265 T CA -0.487 61.723 62.100 0.182 0.000 1.019 265 T CB 1.292 70.206 68.868 0.078 0.000 0.923 265 T HN 0.053 nan 8.240 nan 0.000 0.468 266 Q N 3.021 122.582 119.800 -0.398 0.000 2.307 266 Q HA 0.278 4.627 4.340 0.015 0.000 0.259 266 Q C 0.986 176.716 176.000 -0.449 0.000 0.998 266 Q CA -0.460 54.737 55.803 -1.009 0.000 0.923 266 Q CB 0.720 28.571 28.738 -1.479 0.000 1.196 266 Q HN 0.697 nan 8.270 nan 0.000 0.416 267 V N 1.081 120.810 119.914 -0.309 0.000 3.307 267 V HA 0.574 4.703 4.120 0.015 0.000 0.253 267 V C 0.298 176.294 176.094 -0.163 0.000 1.149 267 V CA 0.762 62.972 62.300 -0.149 0.000 1.112 267 V CB 0.105 31.920 31.823 -0.013 0.000 0.777 267 V HN 0.643 nan 8.190 nan 0.000 0.464 268 A N -0.808 121.886 122.820 -0.210 0.000 2.605 268 A HA 0.817 5.146 4.320 0.015 0.000 0.294 268 A C -0.680 176.798 177.584 -0.177 0.000 1.062 268 A CA 0.235 52.177 52.037 -0.158 0.000 0.682 268 A CB 1.608 20.544 19.000 -0.106 0.000 1.278 268 A HN 0.665 nan 8.150 nan 0.000 0.410 269 S N -0.851 114.771 115.700 -0.130 0.000 2.547 269 S HA 0.818 5.296 4.470 0.015 0.000 0.270 269 S C -0.600 173.956 174.600 -0.072 0.000 1.150 269 S CA 0.197 58.331 58.200 -0.109 0.000 0.850 269 S CB 1.732 64.855 63.200 -0.128 0.000 1.118 269 S HN 2.311 nan 8.310 nan 0.000 0.461 270 G N 1.445 110.213 108.800 -0.053 0.000 2.719 270 G HA2 0.637 4.606 3.960 0.015 0.000 0.298 270 G HA3 0.637 4.606 3.960 0.015 0.000 0.298 270 G C -1.412 173.470 174.900 -0.031 0.000 1.411 270 G CA -0.381 44.692 45.100 -0.044 0.000 0.991 270 G HN 0.696 nan 8.290 nan 0.000 0.509 271 T N -0.076 114.463 114.554 -0.024 0.000 2.893 271 T HA 0.858 5.216 4.350 0.015 0.000 0.293 271 T C -0.305 174.365 174.700 -0.050 0.000 1.027 271 T CA 0.002 62.098 62.100 -0.008 0.000 0.988 271 T CB 1.821 70.718 68.868 0.048 0.000 1.043 271 T HN 1.531 nan 8.240 nan 0.000 0.461 272 A N 3.432 126.190 122.820 -0.104 0.000 2.612 272 A HA 0.920 5.249 4.320 0.015 0.000 0.293 272 A C -3.099 174.365 177.584 -0.199 0.000 1.075 272 A CA -1.541 50.421 52.037 -0.125 0.000 0.680 272 A CB 1.245 20.173 19.000 -0.120 0.000 1.279 272 A HN 0.533 nan 8.150 nan 0.000 0.411 273 P HA 0.549 nan 4.420 nan 0.000 0.278 273 P C -0.583 176.611 177.300 -0.177 0.000 1.266 273 P CA -0.323 62.695 63.100 -0.136 0.000 0.807 273 P CB 0.370 32.047 31.700 -0.037 0.000 1.094 274 F N -0.284 119.628 119.950 -0.064 0.000 2.444 274 F HA 0.465 5.000 4.527 0.014 0.000 0.331 274 F C 1.464 177.247 175.800 -0.028 0.000 1.167 274 F CA 1.524 59.496 58.000 -0.047 0.000 1.262 274 F CB 0.230 39.197 39.000 -0.056 0.000 1.196 274 F HN 0.578 nan 8.300 nan 0.000 0.583 275 G N 1.551 110.477 108.800 0.210 0.000 2.781 275 G HA2 0.325 4.294 3.960 0.015 0.000 0.468 275 G HA3 0.325 4.294 3.960 0.015 0.000 0.468 275 G C -0.426 174.527 174.900 0.087 0.000 1.186 275 G CA -0.743 44.431 45.100 0.124 0.000 1.220 275 G HN 1.044 nan 8.290 nan 0.000 0.564 276 G N 0.684 109.555 108.800 0.119 0.000 2.616 276 G HA2 0.668 4.637 3.960 0.015 0.000 0.268 276 G HA3 0.668 4.637 3.960 0.015 0.000 0.268 276 G C 0.503 175.445 174.900 0.070 0.000 1.213 276 G CA 0.019 45.178 45.100 0.098 0.000 0.926 276 G HN 1.092 nan 8.290 nan 0.000 0.523 277 E N -0.820 119.413 120.200 0.056 0.000 2.409 277 E HA 0.146 4.505 4.350 0.015 0.000 0.257 277 E C -0.166 176.458 176.600 0.040 0.000 1.150 277 E CA -0.510 55.912 56.400 0.037 0.000 0.942 277 E CB 0.872 30.589 29.700 0.028 0.000 0.979 277 E HN 0.297 nan 8.360 nan 0.000 0.447 278 I N 1.856 122.438 120.570 0.019 0.000 2.710 278 I HA -0.115 4.064 4.170 0.015 0.000 0.286 278 I C 1.184 177.309 176.117 0.014 0.000 1.181 278 I CA 0.491 61.795 61.300 0.007 0.000 1.430 278 I CB 0.231 38.229 38.000 -0.003 0.000 1.367 278 I HN 0.622 nan 8.210 nan 0.000 0.577 279 I N 1.272 121.844 120.570 0.002 0.000 4.032 279 I HA 0.318 4.497 4.170 0.015 0.000 0.313 279 I C -0.063 176.053 176.117 -0.002 0.000 1.272 279 I CA 0.078 61.388 61.300 0.017 0.000 1.307 279 I CB 0.436 38.472 38.000 0.059 0.000 1.155 279 I HN 0.633 nan 8.210 nan 0.000 0.431 280 D N -0.459 119.925 120.400 -0.025 0.000 2.838 280 D HA 0.180 4.829 4.640 0.015 0.000 0.334 280 D C 0.276 176.558 176.300 -0.031 0.000 1.315 280 D CA -0.513 53.473 54.000 -0.024 0.000 0.917 280 D CB 0.475 41.261 40.800 -0.025 0.000 1.435 280 D HN -0.112 nan 8.370 nan 0.000 0.517 281 E N -1.068 119.116 120.200 -0.026 0.000 2.331 281 E HA -0.043 4.316 4.350 0.015 0.000 0.199 281 E C 1.250 177.829 176.600 -0.034 0.000 1.008 281 E CA 0.930 57.315 56.400 -0.025 0.000 0.843 281 E CB -0.013 29.675 29.700 -0.019 0.000 0.761 281 E HN 0.211 nan 8.360 nan 0.000 0.507 282 R N -0.339 120.132 120.500 -0.049 0.000 2.334 282 R HA 0.277 4.626 4.340 0.015 0.000 0.216 282 R C 0.813 177.070 176.300 -0.072 0.000 0.905 282 R CA 0.673 56.737 56.100 -0.059 0.000 1.064 282 R CB 0.623 30.881 30.300 -0.071 0.000 1.046 282 R HN 0.209 nan 8.270 nan 0.000 0.508 283 G N -0.456 108.303 108.800 -0.067 0.000 2.443 283 G HA2 -0.136 3.833 3.960 0.015 0.000 0.209 283 G HA3 -0.136 3.833 3.960 0.015 0.000 0.209 283 G C -0.206 174.641 174.900 -0.088 0.000 1.176 283 G CA -0.612 44.449 45.100 -0.066 0.000 1.074 283 G HN 0.478 nan 8.290 nan 0.000 0.577 284 G N -1.981 106.764 108.800 -0.092 0.000 3.105 284 G HA2 0.650 4.618 3.960 0.015 0.000 0.277 284 G HA3 0.650 4.618 3.960 0.015 0.000 0.277 284 G C -1.607 173.203 174.900 -0.150 0.000 1.375 284 G CA -0.720 44.333 45.100 -0.078 0.000 0.962 284 G HN 0.771 nan 8.290 nan 0.000 0.541 285 Y N 0.877 121.188 120.300 0.018 0.000 2.425 285 Y HA 0.430 4.989 4.550 0.014 0.000 0.347 285 Y C 1.397 177.317 175.900 0.033 0.000 0.976 285 Y CA 0.157 58.269 58.100 0.021 0.000 1.190 285 Y CB 1.817 40.296 38.460 0.031 0.000 1.136 285 Y HN 0.544 nan 8.280 nan 0.000 0.517 286 A N 1.801 124.690 122.820 0.114 0.000 2.119 286 A HA -0.121 4.207 4.320 0.015 0.000 0.217 286 A C 1.409 179.049 177.584 0.093 0.000 1.153 286 A CA 1.264 53.352 52.037 0.085 0.000 0.692 286 A CB -0.264 18.744 19.000 0.014 0.000 0.799 286 A HN 0.799 nan 8.150 nan 0.000 0.458 287 D N -0.797 119.656 120.400 0.088 0.000 2.342 287 D HA 0.106 4.755 4.640 0.015 0.000 0.221 287 D C 0.534 176.909 176.300 0.125 0.000 1.101 287 D CA -0.002 53.964 54.000 -0.056 0.000 0.837 287 D CB 0.002 40.757 40.800 -0.074 0.000 0.938 287 D HN 0.388 nan 8.370 nan 0.000 0.508 288 R N -0.846 119.852 120.500 0.329 0.000 2.836 288 R HA 0.750 5.099 4.340 0.015 0.000 0.269 288 R C -1.575 174.888 176.300 0.271 0.000 1.010 288 R CA -1.134 55.149 56.100 0.306 0.000 0.930 288 R CB 2.990 33.339 30.300 0.081 0.000 1.218 288 R HN -0.025 nan 8.270 nan 0.000 0.473 289 V N 0.140 120.099 119.914 0.075 0.000 3.077 289 V HA 0.485 4.614 4.120 0.015 0.000 0.299 289 V C -1.546 174.506 176.094 -0.070 0.000 1.276 289 V CA -0.308 61.956 62.300 -0.059 0.000 0.993 289 V CB 2.804 34.461 31.823 -0.276 0.000 1.076 289 V HN 0.807 nan 8.190 nan 0.000 0.434 290 T N 7.011 121.530 114.554 -0.058 0.000 2.786 290 T HA 0.601 4.960 4.350 0.015 0.000 0.283 290 T C -0.977 173.687 174.700 -0.060 0.000 0.992 290 T CA -0.384 61.687 62.100 -0.049 0.000 0.954 290 T CB 1.042 69.894 68.868 -0.027 0.000 0.934 290 T HN 0.434 nan 8.240 nan 0.000 0.440 291 L N 3.614 124.801 121.223 -0.060 0.000 2.322 291 L HA 0.589 4.938 4.340 0.015 0.000 0.279 291 L C 0.406 177.247 176.870 -0.048 0.000 1.036 291 L CA -0.459 54.344 54.840 -0.061 0.000 0.807 291 L CB 1.478 43.498 42.059 -0.065 0.000 1.226 291 L HN 0.553 nan 8.230 nan 0.000 0.433 292 R N 3.404 123.876 120.500 -0.047 0.000 2.476 292 R HA 0.632 4.981 4.340 0.015 0.000 0.305 292 R C -1.410 174.862 176.300 -0.046 0.000 0.965 292 R CA -0.936 55.137 56.100 -0.046 0.000 0.867 292 R CB 2.018 32.292 30.300 -0.043 0.000 1.176 292 R HN 0.236 nan 8.270 nan 0.000 0.447 293 L N 2.746 123.942 121.223 -0.046 0.000 2.333 293 L HA 0.355 4.704 4.340 0.015 0.000 0.280 293 L C -0.192 176.652 176.870 -0.044 0.000 1.004 293 L CA -0.470 54.343 54.840 -0.045 0.000 0.820 293 L CB 1.662 43.699 42.059 -0.038 0.000 1.247 293 L HN 0.492 nan 8.230 nan 0.000 0.416 294 N N 1.578 120.247 118.700 -0.051 0.000 2.488 294 N HA 0.538 5.287 4.740 0.015 0.000 0.274 294 N C -1.128 174.342 175.510 -0.067 0.000 1.111 294 N CA -0.276 52.741 53.050 -0.055 0.000 0.974 294 N CB 1.330 39.786 38.487 -0.051 0.000 1.089 294 N HN 0.247 nan 8.380 nan 0.000 0.465 295 V N 2.139 122.006 119.914 -0.080 0.000 2.482 295 V HA 0.230 4.359 4.120 0.015 0.000 0.295 295 V C -0.337 175.684 176.094 -0.122 0.000 1.026 295 V CA -0.853 61.365 62.300 -0.137 0.000 0.856 295 V CB 1.456 33.127 31.823 -0.255 0.000 1.001 295 V HN 0.582 nan 8.190 nan 0.000 0.424 296 E N 2.888 123.033 120.200 -0.091 0.000 2.301 296 E HA 0.276 4.634 4.350 0.015 0.000 0.275 296 E C 0.273 176.846 176.600 -0.045 0.000 1.030 296 E CA -0.292 56.077 56.400 -0.051 0.000 0.852 296 E CB 0.612 30.292 29.700 -0.033 0.000 1.060 296 E HN 0.740 nan 8.360 nan 0.000 0.401 297 N N 1.164 119.862 118.700 -0.003 0.000 2.699 297 N HA -0.157 4.592 4.740 0.015 0.000 0.256 297 N C -2.473 173.037 175.510 -0.000 0.000 0.993 297 N CA 0.280 53.343 53.050 0.022 0.000 0.759 297 N CB -1.072 37.429 38.487 0.024 0.000 0.906 297 N HN 0.304 nan 8.380 nan 0.000 0.541 298 P HA 0.011 nan 4.420 nan 0.000 0.269 298 P C -0.317 177.013 177.300 0.050 0.000 1.209 298 P CA 0.228 63.233 63.100 -0.158 0.000 0.776 298 P CB 0.779 32.178 31.700 -0.502 0.000 0.876 299 K N 2.591 123.105 120.400 0.190 0.000 2.349 299 K HA 0.253 4.582 4.320 0.015 0.000 0.289 299 K C 0.170 176.934 176.600 0.274 0.000 1.064 299 K CA -0.291 56.106 56.287 0.183 0.000 0.947 299 K CB 0.149 32.714 32.500 0.108 0.000 1.007 299 K HN 0.443 nan 8.250 nan 0.000 0.478 300 L N 2.745 124.058 121.223 0.150 0.000 2.350 300 L HA 0.334 4.683 4.340 0.015 0.000 0.275 300 L C -0.026 176.922 176.870 0.130 0.000 1.099 300 L CA -0.875 54.052 54.840 0.145 0.000 0.808 300 L CB 0.452 42.444 42.059 -0.112 0.000 1.149 300 L HN 0.589 nan 8.230 nan 0.000 0.442 301 W N 3.225 124.550 121.300 0.042 0.000 2.438 301 W HA 0.537 5.204 4.660 0.013 0.000 0.324 301 W C -0.061 176.406 176.519 -0.086 0.000 1.119 301 W CA 0.077 57.433 57.345 0.018 0.000 1.221 301 W CB 1.421 30.947 29.460 0.110 0.000 1.253 301 W HN 0.643 nan 8.180 nan 0.000 0.555 302 S N 2.915 118.106 115.700 -0.849 0.000 2.611 302 S HA 0.603 5.082 4.470 0.015 0.000 0.268 302 S C 0.139 173.944 174.600 -1.326 0.000 1.156 302 S CA -0.368 57.353 58.200 -0.798 0.000 0.817 302 S CB 1.018 64.010 63.200 -0.347 0.000 1.122 302 S HN 1.051 nan 8.310 nan 0.000 0.466 303 A N 0.734 122.892 122.820 -1.104 0.000 1.972 303 A HA -0.014 4.315 4.320 0.015 0.000 0.219 303 A C 1.800 179.042 177.584 -0.570 0.000 1.169 303 A CA 1.764 53.196 52.037 -1.007 0.000 0.635 303 A CB -1.114 17.153 19.000 -1.222 0.000 0.810 303 A HN 0.890 nan 8.150 nan 0.000 0.446 304 E N -0.713 119.297 120.200 -0.316 0.000 2.051 304 E HA -0.036 4.322 4.350 0.015 0.000 0.192 304 E C -0.103 176.351 176.600 -0.244 0.000 0.991 304 E CA 0.868 57.147 56.400 -0.202 0.000 0.799 304 E CB -0.087 29.623 29.700 0.016 0.000 0.748 304 E HN 0.625 nan 8.360 nan 0.000 0.449 305 I N 1.675 122.079 120.570 -0.276 0.000 2.583 305 I HA 0.155 4.334 4.170 0.015 0.000 0.276 305 I C -2.458 173.430 176.117 -0.381 0.000 1.089 305 I CA -1.874 59.284 61.300 -0.237 0.000 1.103 305 I CB 2.080 39.997 38.000 -0.138 0.000 1.209 305 I HN -0.200 nan 8.210 nan 0.000 0.484 306 P HA 0.062 nan 4.420 nan 0.000 0.225 306 P C -0.530 176.718 177.300 -0.086 0.000 1.768 306 P CA -0.218 62.534 63.100 -0.580 0.000 0.943 306 P CB -0.296 31.216 31.700 -0.313 0.000 1.936 307 N N 1.649 120.336 118.700 -0.021 0.000 2.412 307 N HA 0.093 4.842 4.740 0.015 0.000 0.258 307 N C 0.124 175.841 175.510 0.345 0.000 1.236 307 N CA 0.560 53.681 53.050 0.119 0.000 0.882 307 N CB 0.718 39.269 38.487 0.107 0.000 1.066 307 N HN 0.312 nan 8.380 nan 0.000 0.465 308 L N 2.286 123.633 121.223 0.207 0.000 2.371 308 L HA 0.483 4.832 4.340 0.015 0.000 0.262 308 L C -0.834 176.135 176.870 0.166 0.000 1.006 308 L CA -0.851 54.172 54.840 0.303 0.000 0.818 308 L CB 1.337 43.543 42.059 0.244 0.000 1.354 308 L HN 0.388 nan 8.230 nan 0.000 0.415 309 Y N 0.142 120.596 120.300 0.257 0.000 2.650 309 Y HA 0.660 5.219 4.550 0.015 0.000 0.331 309 Y C -0.236 175.785 175.900 0.202 0.000 1.082 309 Y CA -0.894 57.352 58.100 0.245 0.000 1.171 309 Y CB 1.579 40.242 38.460 0.338 0.000 1.326 309 Y HN 0.373 nan 8.280 nan 0.000 0.513 310 R N 0.912 121.653 120.500 0.402 0.000 2.437 310 R HA 0.796 5.145 4.340 0.015 0.000 0.310 310 R C -1.619 174.867 176.300 0.309 0.000 0.955 310 R CA -0.506 55.756 56.100 0.270 0.000 0.851 310 R CB 1.079 31.468 30.300 0.148 0.000 1.161 310 R HN 0.737 nan 8.270 nan 0.000 0.446 311 A N 3.937 126.879 122.820 0.203 0.000 2.288 311 A HA 0.592 4.921 4.320 0.015 0.000 0.320 311 A C -1.024 176.605 177.584 0.074 0.000 1.217 311 A CA -0.641 51.491 52.037 0.158 0.000 0.840 311 A CB 1.224 20.288 19.000 0.106 0.000 1.179 311 A HN 0.491 nan 8.150 nan 0.000 0.504 312 V N 3.649 123.616 119.914 0.087 0.000 2.384 312 V HA 0.343 4.471 4.120 0.015 0.000 0.287 312 V C -0.314 175.744 176.094 -0.060 0.000 1.020 312 V CA -0.476 61.814 62.300 -0.017 0.000 0.850 312 V CB 1.562 33.388 31.823 0.005 0.000 0.987 312 V HN 0.612 nan 8.190 nan 0.000 0.436 313 V N 5.150 124.956 119.914 -0.179 0.000 2.328 313 V HA 0.403 4.531 4.120 0.015 0.000 0.278 313 V C 0.015 176.038 176.094 -0.118 0.000 1.021 313 V CA -0.529 61.642 62.300 -0.215 0.000 0.838 313 V CB 1.093 32.611 31.823 -0.510 0.000 0.999 313 V HN 0.915 nan 8.190 nan 0.000 0.447 314 E N 3.907 124.095 120.200 -0.020 0.000 2.166 314 E HA 0.500 4.858 4.350 0.015 0.000 0.275 314 E C -1.023 175.655 176.600 0.129 0.000 0.941 314 E CA -0.904 55.534 56.400 0.064 0.000 0.784 314 E CB 2.506 32.271 29.700 0.107 0.000 1.115 314 E HN 0.450 nan 8.360 nan 0.000 0.399 315 L N 4.753 126.035 121.223 0.098 0.000 2.265 315 L HA 0.382 4.730 4.340 0.015 0.000 0.289 315 L C -0.933 176.026 176.870 0.148 0.000 1.033 315 L CA 0.147 55.038 54.840 0.086 0.000 0.814 315 L CB -0.207 41.897 42.059 0.075 0.000 1.203 315 L HN 0.700 nan 8.230 nan 0.000 0.423 316 H N 0.488 119.598 119.070 0.067 0.000 2.984 316 H HA 0.826 5.390 4.556 0.014 0.000 0.277 316 H C -0.790 174.606 175.328 0.114 0.000 1.502 316 H CA -0.442 55.648 56.048 0.070 0.000 1.195 316 H CB 0.819 30.602 29.762 0.035 0.000 1.866 316 H HN 0.460 nan 8.280 nan 0.000 0.594 317 T N -2.436 112.258 114.554 0.233 0.000 2.952 317 T HA 0.600 4.958 4.350 0.015 0.000 0.286 317 T C 1.259 176.099 174.700 0.232 0.000 1.024 317 T CA -0.429 61.785 62.100 0.190 0.000 1.029 317 T CB 1.634 70.565 68.868 0.105 0.000 1.094 317 T HN 0.948 nan 8.240 nan 0.000 0.515 318 A N 0.547 123.462 122.820 0.157 0.000 1.972 318 A HA -0.009 4.319 4.320 0.015 0.000 0.219 318 A C 1.700 179.359 177.584 0.125 0.000 1.169 318 A CA 1.260 53.381 52.037 0.140 0.000 0.635 318 A CB -0.748 18.313 19.000 0.102 0.000 0.810 318 A HN 0.867 nan 8.150 nan 0.000 0.446 319 D N -1.280 119.171 120.400 0.086 0.000 2.319 319 D HA 0.288 4.937 4.640 0.015 0.000 0.230 319 D C 1.223 177.551 176.300 0.047 0.000 1.094 319 D CA 1.027 55.056 54.000 0.047 0.000 0.856 319 D CB 0.162 40.967 40.800 0.008 0.000 0.915 319 D HN 0.593 nan 8.370 nan 0.000 0.517 320 G N 0.357 109.213 108.800 0.094 0.000 2.163 320 G HA2 -0.223 3.745 3.960 0.015 0.000 0.213 320 G HA3 -0.223 3.745 3.960 0.015 0.000 0.213 320 G C 0.515 175.439 174.900 0.041 0.000 0.991 320 G CA -0.132 44.997 45.100 0.047 0.000 0.653 320 G HN 0.270 nan 8.290 nan 0.000 0.518 321 T N 1.286 115.883 114.554 0.071 0.000 2.806 321 T HA 0.542 4.901 4.350 0.015 0.000 0.290 321 T C 0.178 174.939 174.700 0.102 0.000 0.966 321 T CA -0.217 61.915 62.100 0.053 0.000 1.060 321 T CB 1.833 70.714 68.868 0.021 0.000 0.927 321 T HN 0.576 nan 8.240 nan 0.000 0.485 322 L N 5.201 126.467 121.223 0.072 0.000 2.331 322 L HA 0.276 4.625 4.340 0.015 0.000 0.278 322 L C 0.658 177.582 176.870 0.089 0.000 1.106 322 L CA 0.025 54.923 54.840 0.097 0.000 0.824 322 L CB 0.171 42.260 42.059 0.051 0.000 1.142 322 L HN 0.528 nan 8.230 nan 0.000 0.443 323 I N 2.863 123.493 120.570 0.101 0.000 2.385 323 I HA 0.156 4.335 4.170 0.015 0.000 0.244 323 I C 0.693 176.831 176.117 0.036 0.000 1.089 323 I CA 0.869 62.208 61.300 0.065 0.000 1.410 323 I CB -0.960 37.082 38.000 0.071 0.000 1.117 323 I HN 0.863 nan 8.210 nan 0.000 0.429 324 E N -0.403 119.819 120.200 0.038 0.000 2.422 324 E HA 0.700 5.059 4.350 0.015 0.000 0.280 324 E C -1.430 175.188 176.600 0.029 0.000 1.091 324 E CA -1.021 55.391 56.400 0.019 0.000 0.849 324 E CB 1.665 31.337 29.700 -0.046 0.000 1.353 324 E HN -0.030 nan 8.360 nan 0.000 0.449 325 A N 0.746 123.603 122.820 0.061 0.000 2.475 325 A HA 0.731 5.059 4.320 0.015 0.000 0.301 325 A C -1.091 176.569 177.584 0.126 0.000 1.059 325 A CA -0.720 51.352 52.037 0.059 0.000 0.710 325 A CB 1.757 20.798 19.000 0.068 0.000 1.288 325 A HN 0.492 nan 8.150 nan 0.000 0.408 326 E N -0.511 119.693 120.200 0.007 0.000 2.378 326 E HA 0.841 5.200 4.350 0.015 0.000 0.265 326 E C -0.598 176.003 176.600 0.001 0.000 0.932 326 E CA -0.526 55.932 56.400 0.096 0.000 0.795 326 E CB 2.400 32.056 29.700 -0.073 0.000 1.296 326 E HN 1.224 nan 8.360 nan 0.000 0.438 327 A N -0.068 122.890 122.820 0.229 0.000 2.601 327 A HA 0.715 5.044 4.320 0.015 0.000 0.291 327 A C -1.117 176.656 177.584 0.314 0.000 1.075 327 A CA -0.446 51.652 52.037 0.101 0.000 0.671 327 A CB 0.774 19.717 19.000 -0.095 0.000 1.277 327 A HN 0.840 nan 8.150 nan 0.000 0.417 328 C N -0.422 119.016 119.300 0.231 0.000 3.288 328 C HA 0.820 5.289 4.460 0.015 0.000 0.318 328 C C -1.283 173.804 174.990 0.162 0.000 1.356 328 C CA -0.924 58.241 59.018 0.244 0.000 1.359 328 C CB 1.179 29.095 27.740 0.293 0.000 1.688 328 C HN 0.814 nan 8.230 nan 0.000 0.467 329 D N 1.096 121.579 120.400 0.139 0.000 2.302 329 D HA 0.525 5.174 4.640 0.015 0.000 0.248 329 D C -0.347 176.019 176.300 0.109 0.000 1.094 329 D CA 0.201 54.286 54.000 0.141 0.000 0.897 329 D CB 1.833 42.719 40.800 0.144 0.000 1.200 329 D HN 0.539 nan 8.370 nan 0.000 0.429 330 V N 1.174 121.182 119.914 0.156 0.000 2.495 330 V HA 0.626 4.754 4.120 0.015 0.000 0.298 330 V C 0.585 176.776 176.094 0.162 0.000 1.031 330 V CA -0.838 61.509 62.300 0.078 0.000 0.871 330 V CB 2.033 33.895 31.823 0.065 0.000 0.988 330 V HN 0.607 nan 8.190 nan 0.000 0.432 331 G N 3.273 112.061 108.800 -0.020 0.000 2.437 331 G HA2 0.589 4.558 3.960 0.015 0.000 0.315 331 G HA3 0.589 4.558 3.960 0.015 0.000 0.315 331 G C -0.935 174.057 174.900 0.154 0.000 1.210 331 G CA -0.356 44.804 45.100 0.100 0.000 0.943 331 G HN 0.426 nan 8.290 nan 0.000 0.471 332 F N 4.092 124.236 119.950 0.324 0.000 2.462 332 F HA 0.424 4.960 4.527 0.014 0.000 0.360 332 F C 1.138 177.174 175.800 0.393 0.000 1.134 332 F CA -0.140 58.105 58.000 0.409 0.000 1.148 332 F CB 0.674 39.940 39.000 0.443 0.000 1.147 332 F HN 0.443 nan 8.300 nan 0.000 0.550 333 R N 3.034 123.810 120.500 0.460 0.000 2.629 333 R HA 0.414 4.762 4.340 0.015 0.000 0.266 333 R C -1.776 174.668 176.300 0.240 0.000 1.051 333 R CA -0.787 55.433 56.100 0.200 0.000 0.895 333 R CB 1.556 32.011 30.300 0.258 0.000 1.246 333 R HN 0.600 nan 8.270 nan 0.000 0.459 334 E N 2.138 122.385 120.200 0.080 0.000 2.171 334 E HA 0.474 4.833 4.350 0.015 0.000 0.271 334 E C -1.200 175.477 176.600 0.127 0.000 0.916 334 E CA -0.939 55.594 56.400 0.222 0.000 0.774 334 E CB 2.077 31.976 29.700 0.331 0.000 1.128 334 E HN 0.399 nan 8.360 nan 0.000 0.403 335 V N 5.592 125.575 119.914 0.116 0.000 2.409 335 V HA 0.542 4.671 4.120 0.015 0.000 0.291 335 V C -0.237 175.901 176.094 0.073 0.000 1.020 335 V CA -0.644 61.696 62.300 0.065 0.000 0.848 335 V CB 1.230 33.069 31.823 0.028 0.000 0.990 335 V HN 0.725 nan 8.190 nan 0.000 0.430 336 R N 4.351 124.892 120.500 0.068 0.000 2.739 336 R HA 0.746 5.094 4.340 0.015 0.000 0.271 336 R C -1.996 174.334 176.300 0.050 0.000 1.010 336 R CA -0.930 55.211 56.100 0.068 0.000 0.897 336 R CB 2.082 32.436 30.300 0.090 0.000 1.236 336 R HN 0.513 nan 8.270 nan 0.000 0.466 337 I N 1.405 122.003 120.570 0.048 0.000 2.339 337 I HA 0.345 4.524 4.170 0.015 0.000 0.290 337 I C -0.667 175.475 176.117 0.041 0.000 0.994 337 I CA -0.387 60.935 61.300 0.038 0.000 1.191 337 I CB 1.825 39.849 38.000 0.039 0.000 1.343 337 I HN 0.742 nan 8.210 nan 0.000 0.458 338 E N 5.897 126.118 120.200 0.035 0.000 2.304 338 E HA 0.274 4.632 4.350 0.015 0.000 0.277 338 E C -0.280 176.337 176.600 0.028 0.000 0.898 338 E CA -0.533 55.889 56.400 0.037 0.000 0.764 338 E CB 1.063 30.790 29.700 0.046 0.000 1.216 338 E HN 0.507 nan 8.360 nan 0.000 0.419 339 N N 3.026 121.742 118.700 0.027 0.000 2.725 339 N HA -0.224 4.524 4.740 0.015 0.000 0.249 339 N C 0.509 176.028 175.510 0.015 0.000 1.103 339 N CA 2.244 55.306 53.050 0.020 0.000 0.707 339 N CB -1.148 37.350 38.487 0.018 0.000 1.043 339 N HN 1.054 nan 8.380 nan 0.000 0.553 340 G N -2.340 106.470 108.800 0.016 0.000 2.176 340 G HA2 -0.276 3.693 3.960 0.015 0.000 0.253 340 G HA3 -0.276 3.693 3.960 0.015 0.000 0.253 340 G C -0.115 174.783 174.900 -0.002 0.000 0.979 340 G CA 0.422 45.527 45.100 0.009 0.000 0.641 340 G HN 0.435 nan 8.290 nan 0.000 0.530 341 L N 0.229 121.452 121.223 -0.001 0.000 2.365 341 L HA 0.685 5.034 4.340 0.015 0.000 0.273 341 L C 0.060 176.923 176.870 -0.011 0.000 1.000 341 L CA -1.320 53.511 54.840 -0.015 0.000 0.819 341 L CB 1.879 43.930 42.059 -0.014 0.000 1.284 341 L HN 0.090 nan 8.230 nan 0.000 0.418 342 L N 4.720 125.925 121.223 -0.031 0.000 2.315 342 L HA 0.401 4.750 4.340 0.015 0.000 0.283 342 L C -0.800 176.050 176.870 -0.034 0.000 1.089 342 L CA 0.443 55.264 54.840 -0.031 0.000 0.833 342 L CB 0.174 42.199 42.059 -0.056 0.000 1.170 342 L HN 0.375 nan 8.230 nan 0.000 0.442 343 L N 5.993 127.214 121.223 -0.003 0.000 2.329 343 L HA 0.549 4.898 4.340 0.015 0.000 0.279 343 L C -0.807 176.077 176.870 0.023 0.000 1.014 343 L CA -0.805 54.044 54.840 0.014 0.000 0.814 343 L CB 1.887 43.976 42.059 0.050 0.000 1.257 343 L HN 0.520 nan 8.230 nan 0.000 0.424 344 L N 4.055 125.302 121.223 0.040 0.000 2.343 344 L HA 0.499 4.848 4.340 0.015 0.000 0.278 344 L C -0.179 176.703 176.870 0.019 0.000 0.996 344 L CA 0.015 54.884 54.840 0.048 0.000 0.831 344 L CB 0.913 43.018 42.059 0.075 0.000 1.232 344 L HN 0.611 nan 8.230 nan 0.000 0.413 345 N N 4.015 122.593 118.700 -0.203 0.000 2.721 345 N HA -0.219 4.530 4.740 0.015 0.000 0.249 345 N C 0.939 176.049 175.510 -0.666 0.000 1.072 345 N CA 1.305 53.886 53.050 -0.782 0.000 0.710 345 N CB -1.407 36.539 38.487 -0.901 0.000 0.993 345 N HN 1.192 nan 8.380 nan 0.000 0.547 346 G N -2.027 106.706 108.800 -0.111 0.000 2.184 346 G HA2 -0.362 3.607 3.960 0.015 0.000 0.264 346 G HA3 -0.362 3.607 3.960 0.015 0.000 0.264 346 G C -0.029 174.902 174.900 0.052 0.000 0.975 346 G CA 0.974 46.127 45.100 0.089 0.000 0.642 346 G HN 0.412 nan 8.290 nan 0.000 0.536 347 K N 0.701 121.129 120.400 0.047 0.000 2.207 347 K HA 0.553 4.882 4.320 0.015 0.000 0.255 347 K C -2.779 173.806 176.600 -0.025 0.000 0.941 347 K CA -2.311 53.970 56.287 -0.010 0.000 0.825 347 K CB 2.301 34.730 32.500 -0.119 0.000 1.119 347 K HN 0.028 nan 8.250 nan 0.000 0.430 348 P HA 0.229 nan 4.420 nan 0.000 0.282 348 P C -0.083 177.160 177.300 -0.096 0.000 1.262 348 P CA -0.254 62.807 63.100 -0.066 0.000 0.773 348 P CB 0.523 32.184 31.700 -0.065 0.000 0.879 349 L N 3.279 124.440 121.223 -0.105 0.000 2.453 349 L HA 0.295 4.644 4.340 0.015 0.000 0.261 349 L C 0.598 177.385 176.870 -0.139 0.000 1.179 349 L CA -0.621 54.142 54.840 -0.128 0.000 0.813 349 L CB 0.338 42.276 42.059 -0.202 0.000 1.110 349 L HN 0.250 nan 8.230 nan 0.000 0.466 350 L N 3.449 124.604 121.223 -0.113 0.000 2.388 350 L HA 0.410 4.758 4.340 0.015 0.000 0.267 350 L C -0.529 176.283 176.870 -0.096 0.000 0.995 350 L CA -0.241 54.514 54.840 -0.142 0.000 0.864 350 L CB 0.836 42.842 42.059 -0.088 0.000 1.216 350 L HN 0.238 nan 8.230 nan 0.000 0.430 351 I N 4.933 125.376 120.570 -0.211 0.000 2.421 351 I HA 0.177 4.356 4.170 0.015 0.000 0.291 351 I C 0.653 176.728 176.117 -0.070 0.000 1.089 351 I CA 0.247 61.434 61.300 -0.189 0.000 1.354 351 I CB 0.353 38.098 38.000 -0.424 0.000 1.413 351 I HN 0.551 nan 8.210 nan 0.000 0.513 352 R N 4.771 125.324 120.500 0.088 0.000 3.171 352 R HA 0.418 4.767 4.340 0.015 0.000 0.241 352 R C 0.557 177.002 176.300 0.241 0.000 1.421 352 R CA -0.254 55.947 56.100 0.167 0.000 1.444 352 R CB 0.668 30.894 30.300 -0.123 0.000 1.247 352 R HN 0.770 nan 8.270 nan 0.000 0.636 353 G N 0.054 108.960 108.800 0.178 0.000 2.552 353 G HA2 0.578 4.547 3.960 0.015 0.000 0.324 353 G HA3 0.578 4.547 3.960 0.015 0.000 0.324 353 G C -1.299 173.949 174.900 0.580 0.000 1.217 353 G CA -0.436 44.783 45.100 0.199 0.000 0.989 353 G HN 0.228 nan 8.290 nan 0.000 0.490 354 V N -0.046 120.162 119.914 0.489 0.000 2.971 354 V HA 0.481 4.610 4.120 0.015 0.000 0.309 354 V C -1.102 175.135 176.094 0.238 0.000 1.130 354 V CA -1.222 61.233 62.300 0.258 0.000 0.964 354 V CB 2.228 33.908 31.823 -0.237 0.000 1.029 354 V HN 0.754 nan 8.190 nan 0.000 0.427 355 N N 4.228 122.990 118.700 0.104 0.000 2.499 355 N HA 0.442 5.191 4.740 0.015 0.000 0.281 355 N C -0.771 174.581 175.510 -0.263 0.000 1.098 355 N CA -0.308 52.678 53.050 -0.106 0.000 0.979 355 N CB 1.567 39.949 38.487 -0.175 0.000 1.121 355 N HN 0.616 nan 8.380 nan 0.000 0.466 356 R N 2.061 122.371 120.500 -0.316 0.000 2.502 356 R HA 0.232 4.581 4.340 0.015 0.000 0.300 356 R C -0.895 175.179 176.300 -0.376 0.000 0.984 356 R CA -0.556 55.382 56.100 -0.271 0.000 0.882 356 R CB 0.914 31.036 30.300 -0.297 0.000 1.180 356 R HN 0.586 nan 8.270 nan 0.000 0.444 357 H N 2.149 121.098 119.070 -0.200 0.000 2.505 357 H HA 0.124 4.689 4.556 0.015 0.000 0.355 357 H C -0.489 174.850 175.328 0.018 0.000 1.179 357 H CA 0.025 56.039 56.048 -0.058 0.000 1.343 357 H CB 1.484 31.273 29.762 0.045 0.000 1.501 357 H HN 0.548 nan 8.280 nan 0.000 0.569 358 E N 1.831 122.218 120.200 0.311 0.000 1.963 358 E HA 0.108 4.467 4.350 0.015 0.000 0.274 358 E C -0.773 175.976 176.600 0.248 0.000 1.061 358 E CA -0.043 56.463 56.400 0.178 0.000 0.847 358 E CB 0.263 30.088 29.700 0.208 0.000 1.083 358 E HN 0.386 nan 8.360 nan 0.000 0.402 359 H N 1.664 120.799 119.070 0.109 0.000 2.954 359 H HA 0.266 4.830 4.556 0.014 0.000 0.361 359 H C -1.709 173.676 175.328 0.095 0.000 1.122 359 H CA -0.659 55.449 56.048 0.100 0.000 1.217 359 H CB 1.086 30.898 29.762 0.083 0.000 1.776 359 H HN 0.391 nan 8.280 nan 0.000 0.533 360 H N 6.041 124.690 119.070 -0.701 0.000 2.759 360 H HA 0.220 4.785 4.556 0.014 0.000 0.354 360 H C -2.330 172.609 175.328 -0.649 0.000 1.074 360 H CA -2.394 53.380 56.048 -0.458 0.000 1.226 360 H CB 2.724 32.355 29.762 -0.219 0.000 1.648 360 H HN 0.529 nan 8.280 nan 0.000 0.529 361 P HA -0.074 nan 4.420 nan 0.000 0.222 361 P C 1.119 178.332 177.300 -0.145 0.000 1.147 361 P CA 0.859 63.820 63.100 -0.232 0.000 0.790 361 P CB 0.777 32.361 31.700 -0.192 0.000 0.780 362 L N -2.173 119.064 121.223 0.023 0.000 2.467 362 L HA 0.145 4.493 4.340 0.015 0.000 0.213 362 L C 2.141 178.830 176.870 -0.301 0.000 1.053 362 L CA 0.513 55.242 54.840 -0.185 0.000 0.847 362 L CB -0.670 41.168 42.059 -0.368 0.000 1.075 362 L HN -0.013 nan 8.230 nan 0.000 0.479 363 H N -0.282 118.739 119.070 -0.082 0.000 2.539 363 H HA 0.285 4.850 4.556 0.014 0.000 0.269 363 H C 1.418 176.633 175.328 -0.189 0.000 0.980 363 H CA 0.227 56.134 56.048 -0.235 0.000 1.152 363 H CB 0.440 29.956 29.762 -0.410 0.000 1.407 363 H HN 0.384 nan 8.280 nan 0.000 0.564 364 G N 1.382 110.090 108.800 -0.152 0.000 2.536 364 G HA2 -0.368 3.600 3.960 0.015 0.000 0.277 364 G HA3 -0.368 3.600 3.960 0.015 0.000 0.277 364 G C 0.543 175.361 174.900 -0.137 0.000 1.155 364 G CA 0.224 45.197 45.100 -0.211 0.000 0.960 364 G HN 0.443 nan 8.290 nan 0.000 0.544 365 Q N -0.080 119.672 119.800 -0.079 0.000 2.204 365 Q HA 0.465 4.814 4.340 0.015 0.000 0.209 365 Q C 0.201 176.312 176.000 0.185 0.000 0.861 365 Q CA -0.139 55.672 55.803 0.013 0.000 0.971 365 Q CB 1.215 29.855 28.738 -0.163 0.000 1.095 365 Q HN 0.363 nan 8.270 nan 0.000 0.486 366 V N 2.069 122.059 119.914 0.127 0.000 2.432 366 V HA 0.188 4.317 4.120 0.015 0.000 0.271 366 V C 0.175 176.316 176.094 0.079 0.000 1.046 366 V CA 0.103 62.476 62.300 0.123 0.000 0.945 366 V CB 0.906 32.739 31.823 0.017 0.000 0.992 366 V HN 0.335 nan 8.190 nan 0.000 0.471 367 M N 4.691 124.339 119.600 0.080 0.000 2.478 367 M HA 0.502 4.991 4.480 0.015 0.000 0.327 367 M C -0.449 175.800 176.300 -0.085 0.000 1.187 367 M CA -0.532 54.767 55.300 -0.002 0.000 1.022 367 M CB 1.669 34.232 32.600 -0.062 0.000 1.629 367 M HN 0.936 nan 8.290 nan 0.000 0.461 368 D N -1.485 118.874 120.400 -0.069 0.000 2.581 368 D HA 0.254 4.903 4.640 0.015 0.000 0.232 368 D C 0.338 176.618 176.300 -0.035 0.000 1.143 368 D CA -0.697 53.268 54.000 -0.058 0.000 0.881 368 D CB 1.533 42.331 40.800 -0.003 0.000 1.500 368 D HN 0.691 nan 8.370 nan 0.000 0.458 369 E N 0.136 120.329 120.200 -0.012 0.000 2.085 369 E HA -0.339 4.020 4.350 0.015 0.000 0.194 369 E C 1.640 178.285 176.600 0.075 0.000 0.994 369 E CA 1.263 57.686 56.400 0.038 0.000 0.801 369 E CB 0.107 29.846 29.700 0.065 0.000 0.743 369 E HN 0.623 nan 8.360 nan 0.000 0.453 370 Q N -0.220 119.626 119.800 0.076 0.000 2.084 370 Q HA -0.159 4.190 4.340 0.015 0.000 0.202 370 Q C 1.987 178.048 176.000 0.102 0.000 0.978 370 Q CA 2.048 57.905 55.803 0.090 0.000 0.844 370 Q CB -0.063 28.729 28.738 0.089 0.000 0.898 370 Q HN 0.296 nan 8.270 nan 0.000 0.426 371 T N 1.004 115.626 114.554 0.113 0.000 2.746 371 T HA -0.120 4.238 4.350 0.015 0.000 0.267 371 T C 1.861 176.638 174.700 0.128 0.000 1.039 371 T CA 1.465 63.643 62.100 0.131 0.000 1.142 371 T CB -0.132 68.842 68.868 0.177 0.000 0.866 371 T HN 0.306 nan 8.240 nan 0.000 0.444 372 M N 0.436 120.116 119.600 0.133 0.000 2.117 372 M HA -0.100 4.389 4.480 0.015 0.000 0.262 372 M C 2.450 178.879 176.300 0.215 0.000 1.065 372 M CA 1.309 56.761 55.300 0.253 0.000 1.114 372 M CB -0.579 32.204 32.600 0.306 0.000 1.361 372 M HN 0.108 nan 8.290 nan 0.000 0.408 373 V N 0.302 120.282 119.914 0.109 0.000 2.295 373 V HA -0.320 3.808 4.120 0.015 0.000 0.246 373 V C 2.331 178.414 176.094 -0.019 0.000 1.049 373 V CA 2.210 64.514 62.300 0.006 0.000 1.024 373 V CB -0.882 30.982 31.823 0.069 0.000 0.648 373 V HN 0.566 nan 8.190 nan 0.000 0.447 374 Q N -0.424 119.411 119.800 0.059 0.000 2.096 374 Q HA -0.278 4.071 4.340 0.015 0.000 0.204 374 Q C 1.962 178.024 176.000 0.103 0.000 0.982 374 Q CA 2.188 58.038 55.803 0.078 0.000 0.850 374 Q CB -0.150 28.650 28.738 0.104 0.000 0.901 374 Q HN 0.630 nan 8.270 nan 0.000 0.422 375 D N 0.254 120.733 120.400 0.132 0.000 2.097 375 D HA -0.131 4.518 4.640 0.015 0.000 0.195 375 D C 1.923 178.180 176.300 -0.073 0.000 0.989 375 D CA 1.114 55.194 54.000 0.133 0.000 0.827 375 D CB -0.180 40.685 40.800 0.108 0.000 0.966 375 D HN 0.354 nan 8.370 nan 0.000 0.456 376 I N 0.270 120.787 120.570 -0.087 0.000 2.226 376 I HA -0.257 3.922 4.170 0.015 0.000 0.245 376 I C 2.159 178.130 176.117 -0.244 0.000 1.100 376 I CA 0.508 61.647 61.300 -0.268 0.000 1.374 376 I CB -0.052 37.659 38.000 -0.482 0.000 1.057 376 I HN -0.013 nan 8.210 nan 0.000 0.413 377 L N 0.041 121.155 121.223 -0.182 0.000 2.046 377 L HA -0.187 4.162 4.340 0.015 0.000 0.208 377 L C 2.322 179.247 176.870 0.092 0.000 1.077 377 L CA 1.783 56.607 54.840 -0.027 0.000 0.747 377 L CB -0.660 41.405 42.059 0.010 0.000 0.896 377 L HN 0.185 nan 8.230 nan 0.000 0.432 378 L N -1.952 119.341 121.223 0.117 0.000 2.093 378 L HA -0.223 4.126 4.340 0.015 0.000 0.208 378 L C 2.458 179.471 176.870 0.237 0.000 1.085 378 L CA 1.088 56.079 54.840 0.252 0.000 0.755 378 L CB -0.293 42.030 42.059 0.440 0.000 0.904 378 L HN 0.292 nan 8.230 nan 0.000 0.435 379 M N -0.721 118.838 119.600 -0.068 0.000 2.099 379 M HA -0.219 4.270 4.480 0.015 0.000 0.262 379 M C 2.265 178.647 176.300 0.135 0.000 1.067 379 M CA 1.806 57.018 55.300 -0.146 0.000 1.124 379 M CB -0.260 32.020 32.600 -0.533 0.000 1.353 379 M HN 0.050 nan 8.290 nan 0.000 0.410 380 K N 0.003 120.381 120.400 -0.038 0.000 2.057 380 K HA -0.179 4.150 4.320 0.015 0.000 0.207 380 K C 1.976 178.565 176.600 -0.019 0.000 1.049 380 K CA 1.334 57.496 56.287 -0.208 0.000 0.931 380 K CB -0.202 31.961 32.500 -0.562 0.000 0.714 380 K HN 0.426 nan 8.250 nan 0.000 0.440 381 Q N 0.360 120.304 119.800 0.241 0.000 2.291 381 Q HA -0.064 4.285 4.340 0.015 0.000 0.206 381 Q C 0.776 177.062 176.000 0.476 0.000 0.976 381 Q CA 0.830 56.875 55.803 0.403 0.000 0.875 381 Q CB 0.114 29.067 28.738 0.359 0.000 0.927 381 Q HN 0.267 nan 8.270 nan 0.000 0.450 382 N N 0.544 119.485 118.700 0.402 0.000 2.321 382 N HA 0.056 4.805 4.740 0.015 0.000 0.242 382 N C -0.648 174.971 175.510 0.183 0.000 1.141 382 N CA 0.025 53.312 53.050 0.394 0.000 0.864 382 N CB 0.695 39.493 38.487 0.518 0.000 1.100 382 N HN 0.167 nan 8.380 nan 0.000 0.510 383 N N 0.139 118.947 118.700 0.181 0.000 2.782 383 N HA -0.186 4.563 4.740 0.015 0.000 0.251 383 N C -0.824 174.609 175.510 -0.128 0.000 1.101 383 N CA 0.782 53.895 53.050 0.105 0.000 0.764 383 N CB -1.724 36.760 38.487 -0.005 0.000 1.122 383 N HN 0.256 nan 8.380 nan 0.000 0.561 384 F N 1.152 121.132 119.950 0.050 0.000 2.375 384 F HA 0.291 4.826 4.527 0.014 0.000 0.333 384 F C 1.777 177.578 175.800 0.002 0.000 1.104 384 F CA -0.491 57.523 58.000 0.023 0.000 1.149 384 F CB 0.792 39.779 39.000 -0.021 0.000 1.190 384 F HN 0.052 nan 8.300 nan 0.000 0.533 385 N N 0.674 119.500 118.700 0.211 0.000 2.160 385 N HA 0.450 5.199 4.740 0.015 0.000 0.226 385 N C -0.862 174.714 175.510 0.109 0.000 1.256 385 N CA -0.007 53.094 53.050 0.086 0.000 0.890 385 N CB 0.756 39.346 38.487 0.171 0.000 1.116 385 N HN 0.485 nan 8.380 nan 0.000 0.517 386 A N -0.598 122.359 122.820 0.228 0.000 2.612 386 A HA 0.751 5.080 4.320 0.015 0.000 0.293 386 A C -1.831 175.989 177.584 0.392 0.000 1.075 386 A CA -0.666 51.568 52.037 0.330 0.000 0.680 386 A CB 1.708 20.925 19.000 0.361 0.000 1.279 386 A HN 0.274 nan 8.150 nan 0.000 0.411 387 V N 0.973 121.170 119.914 0.470 0.000 2.888 387 V HA 0.803 4.932 4.120 0.015 0.000 0.309 387 V C -0.707 175.531 176.094 0.240 0.000 1.114 387 V CA -0.674 61.852 62.300 0.376 0.000 0.940 387 V CB 1.898 33.867 31.823 0.244 0.000 1.021 387 V HN 1.157 nan 8.190 nan 0.000 0.426 388 R N 4.907 125.388 120.500 -0.031 0.000 2.393 388 R HA 0.492 4.840 4.340 0.015 0.000 0.310 388 R C -0.731 175.429 176.300 -0.233 0.000 0.968 388 R CA -0.461 55.435 56.100 -0.341 0.000 0.867 388 R CB 1.175 31.031 30.300 -0.740 0.000 1.124 388 R HN 0.807 nan 8.270 nan 0.000 0.450 389 C N 4.454 123.643 119.300 -0.186 0.000 3.183 389 C HA 0.116 4.585 4.460 0.015 0.000 0.545 389 C C 0.469 175.180 174.990 -0.465 0.000 1.044 389 C CA -0.408 58.456 59.018 -0.256 0.000 1.117 389 C CB -2.086 25.619 27.740 -0.059 0.000 1.393 389 C HN 0.719 nan 8.230 nan 0.000 0.611 390 S N 1.387 116.683 115.700 -0.673 0.000 2.465 390 S HA 0.193 4.671 4.470 0.015 0.000 0.280 390 S C -0.091 173.584 174.600 -1.543 0.000 1.232 390 S CA 0.094 57.615 58.200 -1.132 0.000 1.066 390 S CB 0.137 62.610 63.200 -1.212 0.000 0.929 390 S HN 0.729 nan 8.310 nan 0.000 0.494 391 H N 3.559 121.971 119.070 -1.097 0.000 2.616 391 H HA 0.310 4.875 4.556 0.014 0.000 0.229 391 H C -1.195 174.007 175.328 -0.210 0.000 1.418 391 H CA -0.341 55.486 56.048 -0.369 0.000 1.248 391 H CB -0.158 29.604 29.762 0.001 0.000 1.822 391 H HN 0.886 nan 8.280 nan 0.000 0.522 392 Y N -2.924 117.473 120.300 0.162 0.000 2.732 392 Y HA 0.405 4.964 4.550 0.015 0.000 0.342 392 Y C -3.273 172.732 175.900 0.175 0.000 1.203 392 Y CA -3.131 55.078 58.100 0.181 0.000 1.092 392 Y CB 0.007 38.580 38.460 0.187 0.000 1.345 392 Y HN -0.106 nan 8.280 nan 0.000 0.458 393 P HA 0.135 nan 4.420 nan 0.000 0.268 393 P C -0.613 176.976 177.300 0.482 0.000 1.204 393 P CA 0.188 63.540 63.100 0.420 0.000 0.768 393 P CB 0.555 32.436 31.700 0.303 0.000 0.842 394 N N 0.721 119.711 118.700 0.483 0.000 2.458 394 N HA 0.081 4.830 4.740 0.015 0.000 0.271 394 N C 0.150 175.902 175.510 0.403 0.000 1.210 394 N CA -0.563 52.690 53.050 0.338 0.000 0.978 394 N CB 0.371 38.853 38.487 -0.008 0.000 1.206 394 N HN 0.602 nan 8.380 nan 0.000 0.536 395 H N 2.255 121.428 119.070 0.171 0.000 3.038 395 H HA -0.009 4.555 4.556 0.014 0.000 0.338 395 H C -1.614 173.883 175.328 0.283 0.000 1.041 395 H CA -0.675 55.462 56.048 0.148 0.000 1.394 395 H CB 0.996 30.808 29.762 0.084 0.000 1.357 395 H HN 0.437 nan 8.280 nan 0.000 0.600 396 P HA -0.206 nan 4.420 nan 0.000 0.217 396 P C 1.808 179.427 177.300 0.533 0.000 1.148 396 P CA 0.704 64.035 63.100 0.385 0.000 0.828 396 P CB 0.219 31.997 31.700 0.130 0.000 0.783 397 L N -0.925 120.711 121.223 0.689 0.000 2.265 397 L HA -0.047 4.302 4.340 0.015 0.000 0.215 397 L C 2.364 179.433 176.870 0.331 0.000 1.117 397 L CA 1.303 56.409 54.840 0.443 0.000 0.782 397 L CB -1.525 40.730 42.059 0.328 0.000 0.914 397 L HN 0.038 nan 8.230 nan 0.000 0.441 398 W N -0.615 120.734 121.300 0.081 0.000 2.338 398 W HA -0.317 4.351 4.660 0.014 0.000 0.304 398 W C 2.014 178.388 176.519 -0.241 0.000 1.212 398 W CA 1.721 58.972 57.345 -0.156 0.000 1.264 398 W CB -0.322 28.948 29.460 -0.317 0.000 1.142 398 W HN 0.267 nan 8.180 nan 0.000 0.512 399 Y N 0.887 121.127 120.300 -0.100 0.000 2.181 399 Y HA -0.231 4.327 4.550 0.014 0.000 0.288 399 Y C 2.866 178.545 175.900 -0.369 0.000 1.146 399 Y CA 2.246 60.060 58.100 -0.477 0.000 1.164 399 Y CB -1.226 36.584 38.460 -1.084 0.000 0.982 399 Y HN -0.224 nan 8.280 nan 0.000 0.515 400 T N 0.722 115.300 114.554 0.040 0.000 2.684 400 T HA -0.179 4.180 4.350 0.015 0.000 0.267 400 T C 2.014 176.759 174.700 0.076 0.000 1.036 400 T CA 1.464 63.663 62.100 0.164 0.000 1.148 400 T CB -0.566 68.443 68.868 0.236 0.000 0.863 400 T HN 0.236 nan 8.240 nan 0.000 0.436 401 L N 0.295 121.521 121.223 0.005 0.000 2.046 401 L HA -0.113 4.236 4.340 0.015 0.000 0.208 401 L C 2.903 179.747 176.870 -0.043 0.000 1.077 401 L CA 0.985 55.844 54.840 0.032 0.000 0.747 401 L CB -0.702 41.330 42.059 -0.045 0.000 0.896 401 L HN 0.389 nan 8.230 nan 0.000 0.432 402 C N -0.252 118.854 119.300 -0.323 0.000 2.440 402 C HA -0.140 4.328 4.460 0.015 0.000 0.278 402 C C 2.420 177.449 174.990 0.065 0.000 1.295 402 C CA 0.415 59.269 59.018 -0.272 0.000 1.738 402 C CB -0.763 26.706 27.740 -0.453 0.000 1.987 402 C HN 0.537 nan 8.230 nan 0.000 0.492 403 D N 0.437 120.889 120.400 0.087 0.000 2.123 403 D HA -0.107 4.541 4.640 0.015 0.000 0.196 403 D C 2.397 178.923 176.300 0.376 0.000 0.992 403 D CA 1.252 55.395 54.000 0.239 0.000 0.833 403 D CB -0.311 40.593 40.800 0.173 0.000 0.954 403 D HN 0.535 nan 8.370 nan 0.000 0.455 404 R N -1.151 119.461 120.500 0.185 0.000 2.112 404 R HA 0.035 4.384 4.340 0.015 0.000 0.216 404 R C 2.100 178.386 176.300 -0.025 0.000 1.080 404 R CA 0.472 56.615 56.100 0.072 0.000 0.996 404 R CB -0.154 30.118 30.300 -0.047 0.000 0.902 404 R HN 0.273 nan 8.270 nan 0.000 0.449 405 Y N 0.049 120.356 120.300 0.012 0.000 2.420 405 Y HA 0.158 4.717 4.550 0.014 0.000 0.292 405 Y C 0.956 176.777 175.900 -0.132 0.000 1.119 405 Y CA 0.787 58.864 58.100 -0.037 0.000 1.229 405 Y CB 0.725 39.138 38.460 -0.079 0.000 1.026 405 Y HN 0.241 nan 8.280 nan 0.000 0.554 406 G N 1.196 110.018 108.800 0.037 0.000 2.858 406 G HA2 -0.142 3.827 3.960 0.015 0.000 0.272 406 G HA3 -0.142 3.827 3.960 0.015 0.000 0.272 406 G C -1.188 173.547 174.900 -0.274 0.000 1.003 406 G CA -0.551 44.431 45.100 -0.198 0.000 1.241 406 G HN 0.162 nan 8.290 nan 0.000 0.569 407 L N 0.883 122.019 121.223 -0.145 0.000 2.472 407 L HA 0.486 4.835 4.340 0.015 0.000 0.260 407 L C -0.049 176.817 176.870 -0.007 0.000 0.963 407 L CA -1.321 53.398 54.840 -0.203 0.000 0.829 407 L CB 2.001 43.973 42.059 -0.145 0.000 1.348 407 L HN 0.447 nan 8.230 nan 0.000 0.408 408 Y N 1.744 122.180 120.300 0.228 0.000 2.377 408 Y HA 0.342 4.902 4.550 0.017 0.000 0.330 408 Y C 0.240 176.275 175.900 0.226 0.000 1.108 408 Y CA -0.641 57.628 58.100 0.283 0.000 1.308 408 Y CB 1.106 39.709 38.460 0.239 0.000 1.216 408 Y HN 0.149 nan 8.280 nan 0.000 0.518 409 V N 4.407 124.515 119.914 0.323 0.000 2.628 409 V HA 0.325 4.454 4.120 0.015 0.000 0.306 409 V C -0.480 175.701 176.094 0.146 0.000 1.045 409 V CA -1.021 61.407 62.300 0.214 0.000 0.905 409 V CB 1.898 33.805 31.823 0.139 0.000 0.997 409 V HN 0.453 nan 8.190 nan 0.000 0.436 410 V N 3.134 123.102 119.914 0.090 0.000 2.328 410 V HA 0.316 4.445 4.120 0.015 0.000 0.278 410 V C -0.338 175.792 176.094 0.059 0.000 1.021 410 V CA -0.368 61.935 62.300 0.005 0.000 0.838 410 V CB 1.401 33.121 31.823 -0.173 0.000 0.999 410 V HN 0.887 nan 8.190 nan 0.000 0.447 411 D N 4.221 124.696 120.400 0.125 0.000 2.280 411 D HA 0.316 4.965 4.640 0.015 0.000 0.243 411 D C -0.225 176.265 176.300 0.317 0.000 1.129 411 D CA -0.036 54.135 54.000 0.284 0.000 0.848 411 D CB 1.270 42.277 40.800 0.344 0.000 1.107 411 D HN 0.678 nan 8.370 nan 0.000 0.471 412 E N 1.904 122.258 120.200 0.257 0.000 2.210 412 E HA 0.622 4.981 4.350 0.015 0.000 0.266 412 E C -1.041 175.699 176.600 0.233 0.000 0.883 412 E CA -1.040 55.496 56.400 0.226 0.000 0.761 412 E CB 1.353 31.137 29.700 0.139 0.000 1.156 412 E HN 0.456 nan 8.360 nan 0.000 0.412 413 A N 3.813 126.763 122.820 0.217 0.000 2.445 413 A HA 0.082 4.410 4.320 0.015 0.000 0.242 413 A C 0.325 178.036 177.584 0.212 0.000 1.075 413 A CA -0.250 51.895 52.037 0.181 0.000 0.777 413 A CB 0.171 19.243 19.000 0.119 0.000 1.013 413 A HN 0.702 nan 8.150 nan 0.000 0.493 414 N N 1.153 119.985 118.700 0.220 0.000 3.178 414 N HA 0.246 4.995 4.740 0.015 0.000 0.300 414 N C -1.045 174.596 175.510 0.219 0.000 1.242 414 N CA 0.224 53.437 53.050 0.271 0.000 1.192 414 N CB -0.858 37.788 38.487 0.265 0.000 1.463 414 N HN 0.475 nan 8.380 nan 0.000 0.539 415 I N 0.930 121.624 120.570 0.206 0.000 2.497 415 I HA 0.257 4.436 4.170 0.015 0.000 0.284 415 I C -0.580 175.642 176.117 0.176 0.000 1.060 415 I CA -0.608 60.797 61.300 0.174 0.000 1.071 415 I CB 1.692 39.768 38.000 0.127 0.000 1.216 415 I HN 0.232 nan 8.210 nan 0.000 0.442 416 E N 4.384 124.684 120.200 0.167 0.000 2.274 416 E HA 0.390 4.749 4.350 0.015 0.000 0.269 416 E C -0.543 176.125 176.600 0.113 0.000 0.891 416 E CA -0.499 55.972 56.400 0.117 0.000 0.784 416 E CB 1.633 31.386 29.700 0.088 0.000 1.225 416 E HN 0.584 nan 8.360 nan 0.000 0.412 417 T N 0.632 115.242 114.554 0.094 0.000 3.355 417 T HA 0.166 4.525 4.350 0.015 0.000 0.276 417 T C 0.848 175.600 174.700 0.087 0.000 1.003 417 T CA -0.333 61.847 62.100 0.132 0.000 0.943 417 T CB -0.279 68.648 68.868 0.099 0.000 1.158 417 T HN 0.661 nan 8.240 nan 0.000 0.513 418 H N 1.213 120.200 119.070 -0.138 0.000 2.353 418 H HA -0.043 4.523 4.556 0.015 0.000 0.298 418 H C 2.378 177.581 175.328 -0.208 0.000 1.103 418 H CA 1.308 57.245 56.048 -0.185 0.000 1.293 418 H CB -0.206 29.408 29.762 -0.246 0.000 1.372 418 H HN 0.583 nan 8.280 nan 0.000 0.501 419 G N 0.345 108.995 108.800 -0.250 0.000 2.625 419 G HA2 -0.104 3.865 3.960 0.015 0.000 0.214 419 G HA3 -0.104 3.865 3.960 0.015 0.000 0.214 419 G C 0.554 175.567 174.900 0.188 0.000 1.132 419 G CA 0.008 44.981 45.100 -0.211 0.000 0.782 419 G HN 0.163 nan 8.290 nan 0.000 0.538 420 M N 0.142 119.892 119.600 0.250 0.000 2.198 420 M HA 0.339 4.828 4.480 0.015 0.000 0.315 420 M C -0.350 175.989 176.300 0.065 0.000 1.134 420 M CA -0.265 55.135 55.300 0.167 0.000 1.171 420 M CB 1.370 34.022 32.600 0.087 0.000 1.413 420 M HN -0.207 nan 8.290 nan 0.000 0.467 421 V N 3.413 123.343 119.914 0.027 0.000 2.482 421 V HA 0.369 4.498 4.120 0.015 0.000 0.295 421 V C -1.988 174.099 176.094 -0.012 0.000 1.026 421 V CA -1.302 60.998 62.300 0.000 0.000 0.856 421 V CB 1.836 33.654 31.823 -0.008 0.000 1.001 421 V HN 0.731 nan 8.190 nan 0.000 0.424 422 P HA 0.241 nan 4.420 nan 0.000 0.275 422 P C 0.987 178.289 177.300 0.002 0.000 1.266 422 P CA -0.511 62.584 63.100 -0.009 0.000 0.793 422 P CB 1.002 32.697 31.700 -0.008 0.000 1.074 423 M N 0.618 120.224 119.600 0.010 0.000 2.267 423 M HA -0.171 4.317 4.480 0.015 0.000 0.263 423 M C 1.101 177.422 176.300 0.035 0.000 1.063 423 M CA 1.793 57.109 55.300 0.026 0.000 1.090 423 M CB -0.471 32.133 32.600 0.006 0.000 1.392 423 M HN 0.364 nan 8.290 nan 0.000 0.422 424 N N -0.169 118.552 118.700 0.035 0.000 2.313 424 N HA -0.060 4.689 4.740 0.015 0.000 0.207 424 N C 1.107 176.599 175.510 -0.029 0.000 1.141 424 N CA 0.095 53.168 53.050 0.039 0.000 0.830 424 N CB -0.720 37.809 38.487 0.071 0.000 1.008 424 N HN 0.361 nan 8.380 nan 0.000 0.481 425 R N 0.493 120.961 120.500 -0.052 0.000 2.096 425 R HA -0.042 4.307 4.340 0.015 0.000 0.240 425 R C 1.443 177.644 176.300 -0.165 0.000 1.139 425 R CA 1.455 57.500 56.100 -0.091 0.000 0.952 425 R CB -0.088 30.157 30.300 -0.091 0.000 0.854 425 R HN 0.290 nan 8.270 nan 0.000 0.436 426 L N -0.485 120.575 121.223 -0.272 0.000 2.127 426 L HA -0.040 4.309 4.340 0.015 0.000 0.203 426 L C 2.565 179.292 176.870 -0.238 0.000 1.080 426 L CA 1.451 56.005 54.840 -0.477 0.000 0.768 426 L CB -0.639 40.902 42.059 -0.864 0.000 0.924 426 L HN 0.391 nan 8.230 nan 0.000 0.444 427 T N -4.301 110.150 114.554 -0.171 0.000 3.007 427 T HA -0.169 4.190 4.350 0.015 0.000 0.270 427 T C 1.282 175.897 174.700 -0.142 0.000 1.107 427 T CA 1.228 63.216 62.100 -0.187 0.000 1.118 427 T CB -0.226 68.497 68.868 -0.241 0.000 0.889 427 T HN 0.118 nan 8.240 nan 0.000 0.506 428 D N 1.105 121.456 120.400 -0.082 0.000 2.349 428 D HA 0.102 4.751 4.640 0.015 0.000 0.214 428 D C -0.198 176.084 176.300 -0.031 0.000 1.063 428 D CA -0.177 53.786 54.000 -0.061 0.000 0.847 428 D CB -0.072 40.698 40.800 -0.050 0.000 0.933 428 D HN 0.348 nan 8.370 nan 0.000 0.513 429 D N -0.117 120.281 120.400 -0.004 0.000 2.274 429 D HA 0.116 4.765 4.640 0.015 0.000 0.239 429 D C -1.613 174.741 176.300 0.089 0.000 1.104 429 D CA -2.220 51.815 54.000 0.058 0.000 0.840 429 D CB 2.018 42.891 40.800 0.121 0.000 1.100 429 D HN -0.039 nan 8.370 nan 0.000 0.477 430 P HA -0.134 nan 4.420 nan 0.000 0.219 430 P C 0.930 178.236 177.300 0.011 0.000 1.146 430 P CA 0.797 63.908 63.100 0.018 0.000 0.808 430 P CB 0.306 32.005 31.700 -0.002 0.000 0.779 431 R N -1.812 118.703 120.500 0.025 0.000 2.237 431 R HA -0.072 4.277 4.340 0.015 0.000 0.219 431 R C 1.493 177.680 176.300 -0.188 0.000 1.080 431 R CA 1.037 57.088 56.100 -0.081 0.000 0.995 431 R CB -0.532 29.706 30.300 -0.103 0.000 0.875 431 R HN 0.330 nan 8.270 nan 0.000 0.462 432 W N -0.148 121.099 121.300 -0.088 0.000 3.220 432 W HA 0.146 4.814 4.660 0.014 0.000 0.328 432 W C 1.467 177.930 176.519 -0.093 0.000 1.205 432 W CA -0.523 56.769 57.345 -0.088 0.000 1.773 432 W CB 0.092 29.499 29.460 -0.088 0.000 1.086 432 W HN 0.004 nan 8.180 nan 0.000 0.622 433 L N 2.060 123.313 121.223 0.050 0.000 2.046 433 L HA -0.038 4.311 4.340 0.015 0.000 0.208 433 L C -0.723 176.114 176.870 -0.054 0.000 1.077 433 L CA 2.255 57.087 54.840 -0.013 0.000 0.747 433 L CB -1.581 40.458 42.059 -0.032 0.000 0.896 433 L HN -0.235 nan 8.230 nan 0.000 0.432 434 P HA -0.153 nan 4.420 nan 0.000 0.215 434 P C 1.599 178.844 177.300 -0.092 0.000 1.157 434 P CA 2.162 65.199 63.100 -0.104 0.000 0.868 434 P CB -0.195 31.433 31.700 -0.121 0.000 0.788 435 A N -1.169 121.608 122.820 -0.072 0.000 1.902 435 A HA -0.187 4.141 4.320 0.015 0.000 0.217 435 A C 2.218 179.816 177.584 0.024 0.000 1.181 435 A CA 1.826 53.853 52.037 -0.016 0.000 0.623 435 A CB -1.451 17.563 19.000 0.022 0.000 0.818 435 A HN 0.098 nan 8.150 nan 0.000 0.443 436 M N 0.327 119.953 119.600 0.043 0.000 2.132 436 M HA -0.155 4.334 4.480 0.015 0.000 0.263 436 M C 2.549 178.800 176.300 -0.081 0.000 1.065 436 M CA 1.741 57.044 55.300 0.005 0.000 1.122 436 M CB -0.415 32.171 32.600 -0.023 0.000 1.365 436 M HN 0.673 nan 8.290 nan 0.000 0.411 437 S N 0.488 116.109 115.700 -0.132 0.000 2.387 437 S HA -0.202 4.277 4.470 0.015 0.000 0.230 437 S C 1.569 175.998 174.600 -0.284 0.000 1.035 437 S CA 1.581 59.632 58.200 -0.248 0.000 1.014 437 S CB -0.661 62.370 63.200 -0.282 0.000 0.836 437 S HN 0.548 nan 8.310 nan 0.000 0.466 438 E N 0.986 121.073 120.200 -0.189 0.000 2.204 438 E HA -0.039 4.319 4.350 0.015 0.000 0.194 438 E C 2.392 178.907 176.600 -0.141 0.000 0.989 438 E CA 0.686 56.980 56.400 -0.177 0.000 0.824 438 E CB -0.145 29.486 29.700 -0.115 0.000 0.756 438 E HN 0.579 nan 8.360 nan 0.000 0.477 439 R N 0.304 120.751 120.500 -0.088 0.000 2.115 439 R HA -0.068 4.281 4.340 0.015 0.000 0.230 439 R C 2.276 178.539 176.300 -0.062 0.000 1.111 439 R CA 0.691 56.772 56.100 -0.032 0.000 0.976 439 R CB 0.021 30.341 30.300 0.033 0.000 0.870 439 R HN 0.008 nan 8.270 nan 0.000 0.445 440 V N 0.102 119.933 119.914 -0.138 0.000 2.300 440 V HA -0.186 3.943 4.120 0.015 0.000 0.241 440 V C 2.485 178.405 176.094 -0.291 0.000 1.034 440 V CA 2.152 64.349 62.300 -0.172 0.000 1.021 440 V CB -0.455 31.260 31.823 -0.180 0.000 0.662 440 V HN 0.510 nan 8.190 nan 0.000 0.458 441 T N -0.500 113.751 114.554 -0.506 0.000 2.746 441 T HA -0.251 4.107 4.350 0.015 0.000 0.267 441 T C 1.927 176.469 174.700 -0.263 0.000 1.039 441 T CA 1.516 63.233 62.100 -0.639 0.000 1.142 441 T CB -0.449 67.839 68.868 -0.967 0.000 0.866 441 T HN 0.405 nan 8.240 nan 0.000 0.444 442 R N 0.321 120.689 120.500 -0.220 0.000 2.148 442 R HA 0.165 4.514 4.340 0.015 0.000 0.227 442 R C 2.655 178.876 176.300 -0.132 0.000 1.103 442 R CA 1.436 57.444 56.100 -0.153 0.000 0.983 442 R CB -0.486 29.733 30.300 -0.136 0.000 0.874 442 R HN 0.482 nan 8.270 nan 0.000 0.451 443 M N 0.576 120.107 119.600 -0.116 0.000 2.099 443 M HA -0.128 4.360 4.480 0.015 0.000 0.262 443 M C 1.827 178.048 176.300 -0.131 0.000 1.067 443 M CA 1.615 56.876 55.300 -0.065 0.000 1.124 443 M CB 0.147 32.753 32.600 0.011 0.000 1.353 443 M HN -0.010 nan 8.290 nan 0.000 0.410 444 V N 0.969 120.698 119.914 -0.309 0.000 2.358 444 V HA -0.265 3.864 4.120 0.015 0.000 0.246 444 V C 2.240 178.216 176.094 -0.197 0.000 1.047 444 V CA 1.851 63.835 62.300 -0.527 0.000 1.035 444 V CB -0.898 30.581 31.823 -0.573 0.000 0.658 444 V HN 0.579 nan 8.190 nan 0.000 0.452 445 Q N -0.515 119.210 119.800 -0.125 0.000 2.170 445 Q HA -0.233 4.115 4.340 0.015 0.000 0.203 445 Q C 2.459 178.371 176.000 -0.148 0.000 0.976 445 Q CA 1.625 57.364 55.803 -0.107 0.000 0.858 445 Q CB -0.180 28.514 28.738 -0.074 0.000 0.907 445 Q HN 0.537 nan 8.270 nan 0.000 0.433 446 R N 0.286 120.692 120.500 -0.157 0.000 2.080 446 R HA -0.084 4.264 4.340 0.015 0.000 0.222 446 R C 0.575 176.799 176.300 -0.127 0.000 1.107 446 R CA 1.266 57.248 56.100 -0.197 0.000 0.980 446 R CB 0.412 30.598 30.300 -0.189 0.000 0.879 446 R HN 0.144 nan 8.270 nan 0.000 0.439 447 D N -0.085 120.307 120.400 -0.013 0.000 2.369 447 D HA -0.012 4.637 4.640 0.015 0.000 0.211 447 D C 1.353 177.768 176.300 0.192 0.000 1.077 447 D CA 0.143 54.189 54.000 0.077 0.000 0.842 447 D CB 0.225 41.033 40.800 0.013 0.000 0.947 447 D HN 0.366 nan 8.370 nan 0.000 0.509 448 R N 0.653 121.276 120.500 0.206 0.000 2.241 448 R HA -0.004 4.344 4.340 0.015 0.000 0.224 448 R C 0.779 177.087 176.300 0.013 0.000 1.101 448 R CA 0.909 57.144 56.100 0.225 0.000 0.995 448 R CB -0.267 30.094 30.300 0.102 0.000 0.870 448 R HN -0.060 nan 8.270 nan 0.000 0.463 449 N N 0.222 118.855 118.700 -0.111 0.000 2.336 449 N HA -0.005 4.744 4.740 0.015 0.000 0.189 449 N C -0.443 174.940 175.510 -0.211 0.000 1.113 449 N CA 0.226 53.178 53.050 -0.163 0.000 0.858 449 N CB 0.080 38.448 38.487 -0.199 0.000 0.970 449 N HN 0.280 nan 8.380 nan 0.000 0.471 450 H N 1.674 120.686 119.070 -0.097 0.000 2.819 450 H HA 0.080 4.645 4.556 0.014 0.000 0.303 450 H C -1.166 174.014 175.328 -0.247 0.000 1.058 450 H CA -1.072 54.902 56.048 -0.123 0.000 1.471 450 H CB 1.395 31.115 29.762 -0.070 0.000 1.480 450 H HN 0.084 nan 8.280 nan 0.000 0.517 451 P HA -0.131 nan 4.420 nan 0.000 0.221 451 P C 1.406 178.213 177.300 -0.822 0.000 1.150 451 P CA 0.946 63.685 63.100 -0.603 0.000 0.800 451 P CB 0.298 31.428 31.700 -0.950 0.000 0.787 452 S N -0.678 114.654 115.700 -0.613 0.000 2.419 452 S HA -0.044 4.434 4.470 0.015 0.000 0.233 452 S C 1.129 175.685 174.600 -0.073 0.000 1.016 452 S CA 0.375 58.377 58.200 -0.329 0.000 0.974 452 S CB -1.546 61.646 63.200 -0.012 0.000 0.786 452 S HN -0.065 nan 8.310 nan 0.000 0.492 453 V N 3.671 123.520 119.914 -0.108 0.000 2.446 453 V HA 0.202 4.331 4.120 0.015 0.000 0.276 453 V C 1.104 177.065 176.094 -0.222 0.000 1.030 453 V CA 0.121 62.328 62.300 -0.155 0.000 1.033 453 V CB 0.321 31.942 31.823 -0.336 0.000 0.993 453 V HN 0.635 nan 8.190 nan 0.000 0.477 454 I N 2.535 123.030 120.570 -0.126 0.000 4.288 454 I HA 0.514 4.693 4.170 0.015 0.000 0.331 454 I C 0.320 176.334 176.117 -0.171 0.000 1.322 454 I CA 0.416 61.652 61.300 -0.107 0.000 1.149 454 I CB 0.473 38.492 38.000 0.032 0.000 1.112 454 I HN 0.320 nan 8.210 nan 0.000 0.403 455 I N 0.231 120.672 120.570 -0.214 0.000 2.656 455 I HA 0.365 4.544 4.170 0.015 0.000 0.292 455 I C -1.538 174.476 176.117 -0.171 0.000 1.144 455 I CA -0.385 60.829 61.300 -0.144 0.000 1.038 455 I CB 2.045 40.055 38.000 0.017 0.000 1.244 455 I HN 0.021 nan 8.210 nan 0.000 0.420 456 W N 3.727 125.076 121.300 0.082 0.000 2.449 456 W HA 0.651 5.318 4.660 0.012 0.000 0.331 456 W C 0.394 176.977 176.519 0.108 0.000 1.119 456 W CA -0.618 56.781 57.345 0.091 0.000 1.240 456 W CB 1.695 31.203 29.460 0.080 0.000 1.251 456 W HN 0.322 nan 8.180 nan 0.000 0.576 457 S N 2.269 118.201 115.700 0.386 0.000 2.521 457 S HA 0.405 4.884 4.470 0.015 0.000 0.295 457 S C 0.095 174.861 174.600 0.277 0.000 1.098 457 S CA -0.709 57.666 58.200 0.293 0.000 0.999 457 S CB 0.854 64.184 63.200 0.216 0.000 1.034 457 S HN 0.573 nan 8.310 nan 0.000 0.483 458 L N 3.969 125.344 121.223 0.254 0.000 2.610 458 L HA 0.363 4.711 4.340 0.015 0.000 0.232 458 L C 1.354 178.283 176.870 0.097 0.000 1.149 458 L CA 0.508 55.416 54.840 0.114 0.000 0.872 458 L CB -1.072 40.940 42.059 -0.078 0.000 0.992 458 L HN 0.988 nan 8.230 nan 0.000 0.447 459 G N -0.019 108.927 108.800 0.243 0.000 2.293 459 G HA2 -0.113 3.856 3.960 0.015 0.000 0.282 459 G HA3 -0.113 3.856 3.960 0.015 0.000 0.282 459 G C -1.722 173.382 174.900 0.340 0.000 1.299 459 G CA -0.635 44.617 45.100 0.254 0.000 1.018 459 G HN 0.157 nan 8.290 nan 0.000 0.478 460 N N -0.012 118.824 118.700 0.228 0.000 2.331 460 N HA 0.486 5.235 4.740 0.015 0.000 0.280 460 N C -0.325 175.138 175.510 -0.079 0.000 1.155 460 N CA 0.072 53.114 53.050 -0.012 0.000 0.822 460 N CB 1.643 39.866 38.487 -0.440 0.000 1.619 460 N HN 0.878 nan 8.380 nan 0.000 0.476 461 E N 0.622 120.675 120.200 -0.245 0.000 2.149 461 E HA -0.180 4.179 4.350 0.015 0.000 0.191 461 E C -0.801 175.697 176.600 -0.169 0.000 1.384 461 E CA 0.763 56.927 56.400 -0.393 0.000 0.698 461 E CB -1.333 27.880 29.700 -0.812 0.000 1.086 461 E HN 0.441 nan 8.360 nan 0.000 0.338 462 S N -0.087 115.666 115.700 0.087 0.000 2.843 462 S HA 0.403 4.882 4.470 0.015 0.000 0.249 462 S C 0.670 175.440 174.600 0.283 0.000 1.047 462 S CA -0.154 58.168 58.200 0.204 0.000 1.042 462 S CB 1.387 64.765 63.200 0.296 0.000 0.936 462 S HN 0.833 nan 8.310 nan 0.000 0.531 463 G N 2.006 110.897 108.800 0.152 0.000 2.601 463 G HA2 -0.269 3.700 3.960 0.015 0.000 0.261 463 G HA3 -0.269 3.700 3.960 0.015 0.000 0.261 463 G C -0.494 174.608 174.900 0.337 0.000 1.289 463 G CA -0.114 45.081 45.100 0.159 0.000 0.920 463 G HN 0.660 nan 8.290 nan 0.000 0.571 464 H N 0.288 119.476 119.070 0.196 0.000 2.800 464 H HA 0.570 5.135 4.556 0.015 0.000 0.322 464 H C 0.319 175.815 175.328 0.279 0.000 0.979 464 H CA -0.202 56.005 56.048 0.266 0.000 1.277 464 H CB 0.643 30.490 29.762 0.141 0.000 1.484 464 H HN 1.022 nan 8.280 nan 0.000 0.512 465 G N 1.617 110.596 108.800 0.297 0.000 2.498 465 G HA2 0.446 4.415 3.960 0.015 0.000 0.312 465 G HA3 0.446 4.415 3.960 0.015 0.000 0.312 465 G C 0.617 175.445 174.900 -0.120 0.000 1.230 465 G CA -0.168 44.906 45.100 -0.042 0.000 0.968 465 G HN 0.699 nan 8.290 nan 0.000 0.481 466 A N 0.734 123.476 122.820 -0.130 0.000 2.024 466 A HA -0.112 4.217 4.320 0.015 0.000 0.220 466 A C 2.135 179.701 177.584 -0.030 0.000 1.164 466 A CA 1.864 53.858 52.037 -0.072 0.000 0.643 466 A CB -0.402 18.569 19.000 -0.047 0.000 0.806 466 A HN 0.548 nan 8.150 nan 0.000 0.451 467 N N -0.271 118.374 118.700 -0.091 0.000 2.223 467 N HA -0.147 4.602 4.740 0.015 0.000 0.185 467 N C 1.360 176.809 175.510 -0.101 0.000 1.016 467 N CA 1.706 54.686 53.050 -0.116 0.000 0.863 467 N CB -0.654 37.724 38.487 -0.182 0.000 0.983 467 N HN 0.795 nan 8.380 nan 0.000 0.429 468 H N 0.253 119.324 119.070 0.002 0.000 2.357 468 H HA -0.002 4.563 4.556 0.015 0.000 0.301 468 H C 1.265 176.665 175.328 0.121 0.000 1.082 468 H CA 1.179 57.234 56.048 0.012 0.000 1.342 468 H CB 0.186 29.975 29.762 0.045 0.000 1.389 468 H HN 0.200 nan 8.280 nan 0.000 0.511 469 D N 0.491 121.050 120.400 0.265 0.000 2.117 469 D HA -0.131 4.517 4.640 0.015 0.000 0.197 469 D C 2.319 178.764 176.300 0.242 0.000 0.987 469 D CA 1.181 55.326 54.000 0.243 0.000 0.829 469 D CB -0.356 40.552 40.800 0.181 0.000 0.961 469 D HN 0.419 nan 8.370 nan 0.000 0.460 470 A N 0.985 123.899 122.820 0.157 0.000 1.902 470 A HA -0.128 4.201 4.320 0.015 0.000 0.217 470 A C 2.430 180.125 177.584 0.184 0.000 1.181 470 A CA 0.976 53.100 52.037 0.145 0.000 0.623 470 A CB -0.772 18.271 19.000 0.071 0.000 0.818 470 A HN 0.189 nan 8.150 nan 0.000 0.443 471 L N -2.205 119.110 121.223 0.154 0.000 2.156 471 L HA -0.136 4.213 4.340 0.015 0.000 0.208 471 L C 2.549 179.568 176.870 0.249 0.000 1.095 471 L CA 1.439 56.373 54.840 0.157 0.000 0.770 471 L CB -0.686 41.397 42.059 0.039 0.000 0.914 471 L HN 0.599 nan 8.230 nan 0.000 0.439 472 Y N 1.383 121.767 120.300 0.139 0.000 2.081 472 Y HA -0.359 4.198 4.550 0.011 0.000 0.280 472 Y C 2.848 178.829 175.900 0.136 0.000 1.163 472 Y CA 1.929 60.112 58.100 0.140 0.000 1.135 472 Y CB -0.167 38.375 38.460 0.137 0.000 0.970 472 Y HN -0.028 nan 8.280 nan 0.000 0.498 473 R N -0.149 120.501 120.500 0.249 0.000 2.096 473 R HA -0.217 4.131 4.340 0.015 0.000 0.235 473 R C 2.068 178.386 176.300 0.031 0.000 1.127 473 R CA 1.991 58.152 56.100 0.103 0.000 0.968 473 R CB -1.442 28.978 30.300 0.200 0.000 0.861 473 R HN 0.667 nan 8.270 nan 0.000 0.440 474 W N 0.440 121.709 121.300 -0.053 0.000 2.335 474 W HA -0.152 4.517 4.660 0.015 0.000 0.311 474 W C 1.631 178.065 176.519 -0.143 0.000 1.213 474 W CA 1.985 59.281 57.345 -0.082 0.000 1.274 474 W CB -0.251 29.165 29.460 -0.073 0.000 1.148 474 W HN 0.082 nan 8.180 nan 0.000 0.498 475 I N 0.919 121.491 120.570 0.004 0.000 2.226 475 I HA -0.337 3.842 4.170 0.015 0.000 0.245 475 I C 2.390 178.305 176.117 -0.337 0.000 1.100 475 I CA 1.365 62.508 61.300 -0.262 0.000 1.374 475 I CB -0.713 37.205 38.000 -0.138 0.000 1.057 475 I HN -0.081 nan 8.210 nan 0.000 0.413 476 K N 0.608 120.821 120.400 -0.312 0.000 2.152 476 K HA -0.091 4.238 4.320 0.015 0.000 0.206 476 K C 2.207 178.667 176.600 -0.234 0.000 1.048 476 K CA 1.238 57.359 56.287 -0.278 0.000 0.933 476 K CB -0.395 31.903 32.500 -0.336 0.000 0.721 476 K HN 0.265 nan 8.250 nan 0.000 0.447 477 S N 0.804 116.334 115.700 -0.284 0.000 2.362 477 S HA -0.045 4.434 4.470 0.015 0.000 0.221 477 S C 2.209 176.600 174.600 -0.347 0.000 1.032 477 S CA 0.713 58.752 58.200 -0.269 0.000 0.973 477 S CB -0.077 62.963 63.200 -0.266 0.000 0.849 477 S HN 0.001 nan 8.310 nan 0.000 0.465 478 V N 1.347 120.915 119.914 -0.577 0.000 2.453 478 V HA -0.017 4.112 4.120 0.015 0.000 0.247 478 V C 0.572 176.424 176.094 -0.403 0.000 1.048 478 V CA 1.357 63.279 62.300 -0.629 0.000 1.049 478 V CB -0.230 30.849 31.823 -1.240 0.000 0.672 478 V HN 0.402 nan 8.190 nan 0.000 0.457 479 D N -1.013 119.201 120.400 -0.310 0.000 2.429 479 D HA 0.238 4.886 4.640 0.015 0.000 0.255 479 D C -2.180 174.098 176.300 -0.037 0.000 1.257 479 D CA -1.688 52.237 54.000 -0.124 0.000 0.890 479 D CB 1.456 42.257 40.800 0.003 0.000 1.267 479 D HN 0.111 nan 8.370 nan 0.000 0.521 480 P HA -0.042 nan 4.420 nan 0.000 0.239 480 P C 1.176 178.488 177.300 0.020 0.000 1.184 480 P CA 0.459 63.544 63.100 -0.025 0.000 0.760 480 P CB 0.094 31.775 31.700 -0.033 0.000 0.884 481 S N -1.242 114.480 115.700 0.037 0.000 2.489 481 S HA 0.028 4.507 4.470 0.015 0.000 0.228 481 S C 0.943 175.568 174.600 0.042 0.000 0.995 481 S CA 0.042 58.269 58.200 0.046 0.000 0.934 481 S CB -0.340 62.882 63.200 0.036 0.000 0.771 481 S HN 0.076 nan 8.310 nan 0.000 0.522 482 R N 1.244 121.780 120.500 0.060 0.000 2.621 482 R HA 0.555 4.903 4.340 0.015 0.000 0.292 482 R C -3.146 173.200 176.300 0.076 0.000 0.969 482 R CA -2.329 53.775 56.100 0.008 0.000 0.887 482 R CB 1.500 31.695 30.300 -0.175 0.000 1.180 482 R HN 0.156 nan 8.270 nan 0.000 0.450 483 P HA 0.044 nan 4.420 nan 0.000 0.270 483 P C -0.811 176.586 177.300 0.162 0.000 1.223 483 P CA -0.300 62.858 63.100 0.096 0.000 0.785 483 P CB 0.635 32.380 31.700 0.075 0.000 0.923 484 V N 2.347 122.381 119.914 0.200 0.000 2.495 484 V HA 0.389 4.517 4.120 0.015 0.000 0.298 484 V C 0.235 176.508 176.094 0.299 0.000 1.031 484 V CA -0.308 62.160 62.300 0.280 0.000 0.871 484 V CB 1.184 33.147 31.823 0.234 0.000 0.988 484 V HN 0.601 nan 8.190 nan 0.000 0.432 485 Q N 3.791 123.747 119.800 0.260 0.000 2.416 485 Q HA 0.812 5.160 4.340 0.015 0.000 0.279 485 Q C -1.826 174.330 176.000 0.260 0.000 1.101 485 Q CA -0.915 55.008 55.803 0.200 0.000 0.830 485 Q CB 2.989 31.793 28.738 0.110 0.000 1.402 485 Q HN 0.632 nan 8.270 nan 0.000 0.445 486 Y N 0.033 120.333 120.300 -0.000 0.000 2.357 486 Y HA 0.132 4.689 4.550 0.013 0.000 0.319 486 Y C -0.653 175.173 175.900 -0.124 0.000 1.225 486 Y CA -0.783 57.282 58.100 -0.059 0.000 1.095 486 Y CB 1.948 40.354 38.460 -0.089 0.000 1.302 486 Y HN 0.950 nan 8.280 nan 0.000 0.429 487 E N 3.305 123.002 120.200 -0.839 0.000 2.318 487 E HA 0.145 4.504 4.350 0.015 0.000 0.193 487 E C 0.637 176.785 176.600 -0.754 0.000 0.998 487 E CA 0.716 56.733 56.400 -0.637 0.000 0.859 487 E CB 0.286 29.739 29.700 -0.411 0.000 0.812 487 E HN 0.880 nan 8.360 nan 0.000 0.492 488 G N -0.219 107.744 108.800 -1.395 0.000 2.559 488 G HA2 0.255 4.224 3.960 0.015 0.000 0.235 488 G HA3 0.255 4.224 3.960 0.015 0.000 0.235 488 G C 0.793 175.535 174.900 -0.264 0.000 1.266 488 G CA 0.242 44.940 45.100 -0.672 0.000 0.847 488 G HN 0.317 nan 8.290 nan 0.000 0.583 489 G N -0.720 108.034 108.800 -0.076 0.000 2.160 489 G HA2 0.219 4.188 3.960 0.015 0.000 0.251 489 G HA3 0.219 4.188 3.960 0.015 0.000 0.251 489 G C 1.264 176.171 174.900 0.011 0.000 1.008 489 G CA 1.058 46.181 45.100 0.038 0.000 0.724 489 G HN 2.596 nan 8.290 nan 0.000 0.514 490 G N -1.626 107.168 108.800 -0.010 0.000 2.205 490 G HA2 0.428 4.396 3.960 0.015 0.000 0.180 490 G HA3 0.428 4.396 3.960 0.015 0.000 0.180 490 G C 1.065 176.075 174.900 0.184 0.000 1.004 490 G CA 1.289 46.450 45.100 0.103 0.000 0.670 490 G HN 2.333 nan 8.290 nan 0.000 0.496 491 A N -0.207 122.598 122.820 -0.025 0.000 3.413 491 A HA -0.106 4.223 4.320 0.015 0.000 0.268 491 A C 1.047 178.555 177.584 -0.128 0.000 1.128 491 A CA 2.621 54.580 52.037 -0.130 0.000 1.062 491 A CB -1.789 17.117 19.000 -0.156 0.000 1.121 491 A HN 2.104 nan 8.150 nan 0.000 0.895 492 D N -1.048 119.361 120.400 0.016 0.000 2.785 492 D HA 0.314 4.963 4.640 0.015 0.000 0.324 492 D C 0.369 176.667 176.300 -0.003 0.000 1.523 492 D CA 0.770 54.789 54.000 0.031 0.000 0.789 492 D CB -1.140 39.815 40.800 0.259 0.000 1.171 492 D HN 0.813 nan 8.370 nan 0.000 0.447 493 T N -2.479 112.003 114.554 -0.121 0.000 2.732 493 T HA 0.232 4.590 4.350 0.015 0.000 0.287 493 T C 1.602 176.172 174.700 -0.216 0.000 0.993 493 T CA 0.391 62.358 62.100 -0.220 0.000 0.966 493 T CB 0.909 69.370 68.868 -0.677 0.000 1.047 493 T HN 0.079 nan 8.240 nan 0.000 0.527 494 T N -2.594 111.849 114.554 -0.185 0.000 3.163 494 T HA 0.204 4.563 4.350 0.015 0.000 0.260 494 T C 1.413 175.860 174.700 -0.421 0.000 1.156 494 T CA 0.263 62.254 62.100 -0.182 0.000 1.072 494 T CB -0.521 68.333 68.868 -0.024 0.000 0.937 494 T HN 0.842 nan 8.240 nan 0.000 0.528 495 A N 0.468 123.036 122.820 -0.421 0.000 2.507 495 A HA 0.537 4.866 4.320 0.015 0.000 0.270 495 A C 0.714 178.110 177.584 -0.314 0.000 1.318 495 A CA -0.386 51.358 52.037 -0.488 0.000 0.924 495 A CB 0.021 18.982 19.000 -0.065 0.000 1.061 495 A HN 0.423 nan 8.150 nan 0.000 0.516 496 T N -1.430 112.960 114.554 -0.273 0.000 2.952 496 T HA 0.359 4.718 4.350 0.015 0.000 0.305 496 T C -0.685 174.043 174.700 0.046 0.000 1.064 496 T CA -0.424 61.674 62.100 -0.003 0.000 1.008 496 T CB 1.239 70.093 68.868 -0.025 0.000 1.078 496 T HN 0.085 nan 8.240 nan 0.000 0.459 497 D N 2.926 123.439 120.400 0.190 0.000 2.349 497 D HA 0.278 4.927 4.640 0.015 0.000 0.215 497 D C 0.312 176.648 176.300 0.060 0.000 1.016 497 D CA 0.653 54.744 54.000 0.152 0.000 0.870 497 D CB 0.406 41.322 40.800 0.193 0.000 0.917 497 D HN 0.537 nan 8.370 nan 0.000 0.524 498 I N 0.960 121.546 120.570 0.026 0.000 2.498 498 I HA 0.251 4.430 4.170 0.015 0.000 0.290 498 I C -0.191 175.863 176.117 -0.106 0.000 1.032 498 I CA -0.876 60.405 61.300 -0.033 0.000 1.073 498 I CB 2.797 40.790 38.000 -0.012 0.000 1.251 498 I HN -0.353 nan 8.210 nan 0.000 0.426 499 I N 5.759 126.220 120.570 -0.182 0.000 2.517 499 I HA 0.042 4.221 4.170 0.015 0.000 0.285 499 I C 0.225 176.135 176.117 -0.344 0.000 1.106 499 I CA 0.049 61.146 61.300 -0.338 0.000 1.402 499 I CB 0.247 37.936 38.000 -0.519 0.000 1.399 499 I HN 0.688 nan 8.210 nan 0.000 0.535 500 C N 5.725 124.831 119.300 -0.323 0.000 3.401 500 C HA 0.464 4.933 4.460 0.015 0.000 0.204 500 C C -2.116 172.733 174.990 -0.235 0.000 1.522 500 C CA -2.280 56.599 59.018 -0.231 0.000 1.409 500 C CB -0.906 26.760 27.740 -0.124 0.000 1.967 500 C HN 0.430 nan 8.230 nan 0.000 0.496 501 P HA 0.280 nan 4.420 nan 0.000 0.272 501 P C -0.425 176.821 177.300 -0.089 0.000 1.240 501 P CA 0.388 63.379 63.100 -0.183 0.000 0.791 501 P CB 0.783 32.386 31.700 -0.162 0.000 0.978 502 M N 0.260 119.831 119.600 -0.049 0.000 2.167 502 M HA 0.429 4.918 4.480 0.015 0.000 0.333 502 M C -0.703 175.599 176.300 0.003 0.000 1.030 502 M CA -0.673 54.498 55.300 -0.214 0.000 0.963 502 M CB 1.101 33.496 32.600 -0.342 0.000 1.589 502 M HN 0.347 nan 8.290 nan 0.000 0.431 503 Y N -0.208 120.257 120.300 0.274 0.000 4.409 503 Y HA -0.235 4.324 4.550 0.015 0.000 0.228 503 Y C 0.579 176.657 175.900 0.296 0.000 1.108 503 Y CA 0.366 58.637 58.100 0.285 0.000 1.955 503 Y CB -2.165 36.444 38.460 0.250 0.000 1.615 503 Y HN 0.975 nan 8.280 nan 0.000 0.665 504 A N 1.235 124.289 122.820 0.391 0.000 2.477 504 A HA 0.539 4.868 4.320 0.015 0.000 0.246 504 A C 0.697 178.517 177.584 0.394 0.000 1.078 504 A CA -0.401 51.866 52.037 0.384 0.000 0.770 504 A CB 0.361 19.626 19.000 0.443 0.000 1.011 504 A HN 0.421 nan 8.150 nan 0.000 0.494 505 R N 1.555 122.207 120.500 0.254 0.000 2.543 505 R HA 0.334 4.683 4.340 0.015 0.000 0.268 505 R C 0.973 177.249 176.300 -0.040 0.000 1.067 505 R CA -0.744 55.423 56.100 0.113 0.000 1.142 505 R CB 0.612 30.945 30.300 0.055 0.000 1.110 505 R HN 0.476 nan 8.270 nan 0.000 0.549 506 V N 0.705 120.432 119.914 -0.312 0.000 2.270 506 V HA -0.205 3.923 4.120 0.015 0.000 0.245 506 V C 1.000 176.979 176.094 -0.191 0.000 1.043 506 V CA 1.869 63.948 62.300 -0.368 0.000 1.014 506 V CB -0.250 31.220 31.823 -0.589 0.000 0.645 506 V HN 0.752 nan 8.190 nan 0.000 0.447 507 D N -1.380 118.937 120.400 -0.139 0.000 2.454 507 D HA 0.098 4.747 4.640 0.015 0.000 0.214 507 D C 0.904 177.185 176.300 -0.030 0.000 1.088 507 D CA 0.077 54.031 54.000 -0.076 0.000 0.855 507 D CB 0.680 41.439 40.800 -0.068 0.000 1.025 507 D HN 0.496 nan 8.370 nan 0.000 0.502 508 E N 1.842 122.028 120.200 -0.023 0.000 2.174 508 E HA 0.116 4.475 4.350 0.015 0.000 0.282 508 E C -0.867 175.733 176.600 0.000 0.000 0.992 508 E CA -0.599 55.796 56.400 -0.008 0.000 0.803 508 E CB 0.949 30.643 29.700 -0.009 0.000 1.090 508 E HN -0.205 nan 8.360 nan 0.000 0.396 509 D N 3.602 124.006 120.400 0.006 0.000 2.304 509 D HA 0.130 4.778 4.640 0.015 0.000 0.247 509 D C -0.588 175.611 176.300 -0.169 0.000 1.089 509 D CA 0.230 54.233 54.000 0.004 0.000 0.910 509 D CB 1.145 42.030 40.800 0.141 0.000 1.199 509 D HN 0.408 nan 8.370 nan 0.000 0.426 510 Q N 1.685 121.253 119.800 -0.387 0.000 2.771 510 Q HA 0.242 4.591 4.340 0.015 0.000 0.247 510 Q C -2.260 173.078 176.000 -1.104 0.000 0.986 510 Q CA -1.517 53.839 55.803 -0.746 0.000 0.713 510 Q CB 2.376 30.638 28.738 -0.793 0.000 1.241 510 Q HN 0.178 nan 8.270 nan 0.000 0.488 511 P HA 0.031 nan 4.420 nan 0.000 0.220 511 P C -0.629 176.366 177.300 -0.508 0.000 1.806 511 P CA -0.079 62.587 63.100 -0.723 0.000 0.976 511 P CB -0.589 30.920 31.700 -0.318 0.000 1.952 512 F N 2.420 122.188 119.950 -0.303 0.000 2.553 512 F HA 0.140 4.676 4.527 0.014 0.000 0.356 512 F C -1.101 174.591 175.800 -0.181 0.000 1.142 512 F CA -2.245 55.639 58.000 -0.192 0.000 1.322 512 F CB -0.507 38.394 39.000 -0.165 0.000 1.126 512 F HN 0.081 nan 8.300 nan 0.000 0.599 513 P HA 0.112 nan 4.420 nan 0.000 0.268 513 P C 0.285 177.603 177.300 0.030 0.000 1.204 513 P CA 0.878 63.999 63.100 0.034 0.000 0.768 513 P CB 1.196 32.915 31.700 0.031 0.000 0.842 514 A N 2.974 125.805 122.820 0.019 0.000 2.617 514 A HA -0.246 4.083 4.320 0.015 0.000 0.236 514 A C 0.720 178.316 177.584 0.020 0.000 0.551 514 A CA 1.934 53.986 52.037 0.025 0.000 1.144 514 A CB -2.697 16.316 19.000 0.021 0.000 1.384 514 A HN 0.721 nan 8.150 nan 0.000 0.694 515 V N -2.861 117.059 119.914 0.010 0.000 2.468 515 V HA 0.571 4.699 4.120 0.015 0.000 0.256 515 V C -2.411 173.671 176.094 -0.020 0.000 0.998 515 V CA -1.275 61.029 62.300 0.007 0.000 1.114 515 V CB 0.635 32.464 31.823 0.009 0.000 1.378 515 V HN 0.511 nan 8.190 nan 0.000 0.573 516 P HA 0.258 nan 4.420 nan 0.000 0.272 516 P C -0.608 176.260 177.300 -0.720 0.000 1.223 516 P CA 0.136 62.853 63.100 -0.638 0.000 0.784 516 P CB 0.991 31.796 31.700 -1.491 0.000 0.923 517 K N 2.583 122.641 120.400 -0.571 0.000 2.357 517 K HA 0.202 4.531 4.320 0.015 0.000 0.251 517 K C -0.349 175.952 176.600 -0.498 0.000 1.069 517 K CA -0.280 55.840 56.287 -0.278 0.000 0.994 517 K CB 0.322 32.926 32.500 0.173 0.000 1.411 517 K HN 0.468 nan 8.250 nan 0.000 0.450 518 W N 1.384 122.369 121.300 -0.527 0.000 2.126 518 W HA 0.023 4.693 4.660 0.017 0.000 0.346 518 W C 1.353 177.860 176.519 -0.020 0.000 1.279 518 W CA -0.439 56.683 57.345 -0.373 0.000 1.259 518 W CB 0.436 29.498 29.460 -0.663 0.000 1.133 518 W HN 0.375 nan 8.180 nan 0.000 0.592 519 S N 3.084 118.936 115.700 0.253 0.000 2.558 519 S HA -0.074 4.405 4.470 0.015 0.000 0.293 519 S C 1.172 175.920 174.600 0.247 0.000 1.292 519 S CA -0.163 58.134 58.200 0.162 0.000 1.063 519 S CB 0.179 63.425 63.200 0.075 0.000 0.831 519 S HN 0.508 nan 8.310 nan 0.000 0.499 520 I N 1.944 122.629 120.570 0.191 0.000 2.361 520 I HA -0.125 4.054 4.170 0.015 0.000 0.251 520 I C 2.075 178.227 176.117 0.059 0.000 1.133 520 I CA 1.226 62.645 61.300 0.199 0.000 1.413 520 I CB -0.415 37.649 38.000 0.107 0.000 1.073 520 I HN 0.593 nan 8.210 nan 0.000 0.424 521 K N 1.479 121.807 120.400 -0.120 0.000 2.057 521 K HA -0.147 4.182 4.320 0.015 0.000 0.206 521 K C 2.324 178.905 176.600 -0.031 0.000 1.050 521 K CA 1.532 57.648 56.287 -0.284 0.000 0.935 521 K CB -0.174 32.082 32.500 -0.408 0.000 0.715 521 K HN 0.340 nan 8.250 nan 0.000 0.439 522 K N 0.083 120.495 120.400 0.020 0.000 2.103 522 K HA -0.169 4.159 4.320 0.015 0.000 0.204 522 K C 1.884 178.507 176.600 0.037 0.000 1.052 522 K CA 0.857 57.145 56.287 0.001 0.000 0.945 522 K CB -0.069 32.398 32.500 -0.055 0.000 0.722 522 K HN 0.228 nan 8.250 nan 0.000 0.443 523 W N 2.222 123.513 121.300 -0.015 0.000 2.335 523 W HA -0.200 4.466 4.660 0.010 0.000 0.311 523 W C 1.690 178.201 176.519 -0.013 0.000 1.213 523 W CA 1.130 58.487 57.345 0.020 0.000 1.274 523 W CB -0.708 28.837 29.460 0.142 0.000 1.148 523 W HN 0.069 nan 8.180 nan 0.000 0.498 524 L N 0.829 122.222 121.223 0.283 0.000 2.081 524 L HA -0.257 4.092 4.340 0.015 0.000 0.212 524 L C 2.280 179.223 176.870 0.121 0.000 1.080 524 L CA 2.062 57.000 54.840 0.163 0.000 0.754 524 L CB -1.097 41.043 42.059 0.134 0.000 0.893 524 L HN -0.000 nan 8.230 nan 0.000 0.433 525 S N -1.254 114.500 115.700 0.091 0.000 2.614 525 S HA 0.251 4.730 4.470 0.015 0.000 0.230 525 S C 0.566 175.160 174.600 -0.011 0.000 0.952 525 S CA -0.535 57.690 58.200 0.041 0.000 0.949 525 S CB -0.528 62.695 63.200 0.039 0.000 0.786 525 S HN 0.157 nan 8.310 nan 0.000 0.478 526 L N 1.803 123.014 121.223 -0.020 0.000 2.499 526 L HA 0.225 4.574 4.340 0.015 0.000 0.281 526 L C -2.169 174.676 176.870 -0.041 0.000 1.234 526 L CA -1.750 53.032 54.840 -0.098 0.000 0.839 526 L CB -0.355 41.627 42.059 -0.128 0.000 1.104 526 L HN 0.029 nan 8.230 nan 0.000 0.500 527 P HA -0.049 nan 4.420 nan 0.000 0.260 527 P C 0.735 178.033 177.300 -0.005 0.000 1.172 527 P CA 1.127 64.207 63.100 -0.032 0.000 0.760 527 P CB 0.457 32.134 31.700 -0.039 0.000 0.773 528 G N 1.763 110.566 108.800 0.005 0.000 2.189 528 G HA2 -0.301 3.668 3.960 0.015 0.000 0.267 528 G HA3 -0.301 3.668 3.960 0.015 0.000 0.267 528 G C 0.292 175.211 174.900 0.032 0.000 0.975 528 G CA 0.340 45.451 45.100 0.018 0.000 0.644 528 G HN 0.626 nan 8.290 nan 0.000 0.537 529 E N 0.774 120.999 120.200 0.041 0.000 2.354 529 E HA 0.597 4.956 4.350 0.015 0.000 0.269 529 E C 1.356 177.985 176.600 0.047 0.000 1.036 529 E CA 0.615 57.052 56.400 0.061 0.000 0.876 529 E CB 0.761 30.523 29.700 0.104 0.000 1.009 529 E HN 0.531 nan 8.360 nan 0.000 0.416 530 T N 0.499 115.078 114.554 0.041 0.000 3.130 530 T HA 0.327 4.686 4.350 0.015 0.000 0.288 530 T C 0.521 175.234 174.700 0.022 0.000 0.936 530 T CA -0.479 61.640 62.100 0.031 0.000 0.897 530 T CB 0.050 68.935 68.868 0.028 0.000 1.178 530 T HN 0.269 nan 8.240 nan 0.000 0.543 531 R N 2.344 122.854 120.500 0.016 0.000 2.707 531 R HA 0.454 4.803 4.340 0.015 0.000 0.270 531 R C -2.529 173.756 176.300 -0.025 0.000 1.083 531 R CA -1.745 54.353 56.100 -0.002 0.000 1.182 531 R CB 0.073 30.365 30.300 -0.014 0.000 1.084 531 R HN 0.235 nan 8.270 nan 0.000 0.528 532 P HA 0.109 nan 4.420 nan 0.000 0.276 532 P C -1.060 176.176 177.300 -0.106 0.000 1.252 532 P CA -0.198 62.865 63.100 -0.061 0.000 0.802 532 P CB 0.697 32.361 31.700 -0.061 0.000 1.035 533 L N 2.114 123.257 121.223 -0.134 0.000 2.349 533 L HA 0.567 4.915 4.340 0.015 0.000 0.278 533 L C -0.987 175.749 176.870 -0.223 0.000 0.996 533 L CA -0.638 54.084 54.840 -0.196 0.000 0.825 533 L CB 0.636 42.578 42.059 -0.194 0.000 1.243 533 L HN 0.225 nan 8.230 nan 0.000 0.412 534 I N 5.776 126.221 120.570 -0.208 0.000 2.468 534 I HA 0.246 4.425 4.170 0.015 0.000 0.284 534 I C -0.750 175.287 176.117 -0.133 0.000 1.038 534 I CA -0.609 60.557 61.300 -0.222 0.000 1.083 534 I CB 1.902 39.829 38.000 -0.122 0.000 1.223 534 I HN 0.467 nan 8.210 nan 0.000 0.443 535 L N 5.768 126.889 121.223 -0.170 0.000 2.513 535 L HA -0.002 4.347 4.340 0.015 0.000 0.272 535 L C 1.542 178.510 176.870 0.163 0.000 1.187 535 L CA -0.083 54.731 54.840 -0.044 0.000 0.895 535 L CB 0.431 42.462 42.059 -0.047 0.000 1.147 535 L HN 0.848 nan 8.230 nan 0.000 0.483 536 C N 0.909 120.269 119.300 0.100 0.000 2.450 536 C HA 0.056 4.524 4.460 0.015 0.000 0.279 536 C C 0.788 175.916 174.990 0.231 0.000 1.335 536 C CA -0.032 59.074 59.018 0.147 0.000 1.749 536 C CB -0.920 26.821 27.740 0.001 0.000 1.963 536 C HN 0.820 nan 8.230 nan 0.000 0.501 537 Q N -0.553 119.315 119.800 0.113 0.000 2.284 537 Q HA 0.653 5.002 4.340 0.015 0.000 0.269 537 Q C -1.430 174.568 176.000 -0.004 0.000 1.026 537 Q CA -0.363 55.509 55.803 0.114 0.000 0.831 537 Q CB 2.425 31.030 28.738 -0.221 0.000 1.322 537 Q HN 0.764 nan 8.270 nan 0.000 0.419 538 Y N -0.531 119.797 120.300 0.047 0.000 2.624 538 Y HA 0.806 5.365 4.550 0.016 0.000 0.334 538 Y C -0.721 175.341 175.900 0.269 0.000 1.155 538 Y CA -0.785 57.329 58.100 0.023 0.000 1.046 538 Y CB 0.862 39.168 38.460 -0.256 0.000 1.316 538 Y HN 0.942 nan 8.280 nan 0.000 0.457 539 A N 1.485 124.411 122.820 0.176 0.000 2.490 539 A HA 0.011 4.340 4.320 0.015 0.000 0.684 539 A C -1.299 176.536 177.584 0.419 0.000 0.174 539 A CA 0.649 52.806 52.037 0.201 0.000 0.057 539 A CB -1.351 17.688 19.000 0.064 0.000 3.963 539 A HN 1.710 nan 8.150 nan 0.000 0.547 540 H N 0.716 119.920 119.070 0.224 0.000 3.162 540 H HA 0.507 5.072 4.556 0.014 0.000 0.309 540 H C 0.172 175.565 175.328 0.109 0.000 1.156 540 H CA 0.317 56.541 56.048 0.294 0.000 1.586 540 H CB 0.734 30.560 29.762 0.107 0.000 1.740 540 H HN 1.590 nan 8.280 nan 0.000 0.525 541 A N 5.997 128.740 122.820 -0.129 0.000 2.728 541 A HA 0.104 4.433 4.320 0.015 0.000 0.258 541 A C 0.809 178.204 177.584 -0.314 0.000 1.454 541 A CA -0.314 51.598 52.037 -0.208 0.000 1.146 541 A CB -0.749 18.129 19.000 -0.203 0.000 0.985 541 A HN 0.700 nan 8.150 nan 0.000 0.603 542 M N 1.338 120.768 119.600 -0.284 0.000 2.156 542 M HA 0.451 4.940 4.480 0.015 0.000 0.345 542 M C 0.993 177.058 176.300 -0.392 0.000 1.398 542 M CA 1.164 56.282 55.300 -0.303 0.000 1.148 542 M CB -0.127 32.406 32.600 -0.111 0.000 1.663 542 M HN 0.801 nan 8.290 nan 0.000 0.464 543 G N 4.306 112.790 108.800 -0.527 0.000 2.566 543 G HA2 -0.347 3.622 3.960 0.015 0.000 0.280 543 G HA3 -0.347 3.622 3.960 0.015 0.000 0.280 543 G C -0.252 173.992 174.900 -1.094 0.000 1.225 543 G CA 0.110 44.739 45.100 -0.784 0.000 0.966 543 G HN 0.854 nan 8.290 nan 0.000 0.560 544 N N 1.136 119.110 118.700 -1.209 0.000 2.448 544 N HA 0.517 5.265 4.740 0.015 0.000 0.250 544 N C -0.005 175.201 175.510 -0.506 0.000 1.136 544 N CA 1.038 53.542 53.050 -0.910 0.000 0.953 544 N CB 0.598 38.606 38.487 -0.798 0.000 1.251 544 N HN 0.845 nan 8.380 nan 0.000 0.502 545 S N 2.261 117.744 115.700 -0.362 0.000 2.998 545 S HA 0.615 5.094 4.470 0.015 0.000 0.321 545 S C -0.156 174.354 174.600 -0.151 0.000 1.171 545 S CA -0.349 57.712 58.200 -0.232 0.000 0.882 545 S CB 0.113 63.189 63.200 -0.208 0.000 1.301 545 S HN 0.384 nan 8.310 nan 0.000 0.629 546 L N 0.064 121.243 121.223 -0.073 0.000 4.793 546 L HA -0.058 4.291 4.340 0.015 0.000 0.404 546 L C 0.535 177.443 176.870 0.063 0.000 1.022 546 L CA 0.917 55.750 54.840 -0.013 0.000 1.242 546 L CB -1.758 40.209 42.059 -0.154 0.000 2.049 546 L HN 0.735 nan 8.230 nan 0.000 0.637 547 G N -0.828 107.973 108.800 0.001 0.000 2.365 547 G HA2 0.475 4.444 3.960 0.015 0.000 0.249 547 G HA3 0.475 4.444 3.960 0.015 0.000 0.249 547 G C 1.232 176.168 174.900 0.060 0.000 1.288 547 G CA 0.210 45.290 45.100 -0.034 0.000 0.887 547 G HN 1.351 nan 8.290 nan 0.000 0.524 548 G N 1.769 110.597 108.800 0.046 0.000 2.175 548 G HA2 -0.311 3.657 3.960 0.015 0.000 0.244 548 G HA3 -0.311 3.657 3.960 0.015 0.000 0.244 548 G C 1.047 176.127 174.900 0.301 0.000 0.982 548 G CA 0.716 45.899 45.100 0.138 0.000 0.641 548 G HN 0.774 nan 8.290 nan 0.000 0.527 549 F N 2.003 122.074 119.950 0.201 0.000 2.120 549 F HA 0.094 4.631 4.527 0.016 0.000 0.300 549 F C 2.699 178.721 175.800 0.370 0.000 1.095 549 F CA 2.686 60.885 58.000 0.332 0.000 1.249 549 F CB -0.363 38.776 39.000 0.232 0.000 0.995 549 F HN 0.353 nan 8.300 nan 0.000 0.480 550 A N -0.450 122.560 122.820 0.317 0.000 2.019 550 A HA -0.231 4.097 4.320 0.015 0.000 0.219 550 A C 2.262 179.879 177.584 0.055 0.000 1.164 550 A CA 1.683 53.835 52.037 0.193 0.000 0.644 550 A CB -0.790 18.321 19.000 0.185 0.000 0.805 550 A HN 0.455 nan 8.150 nan 0.000 0.449 551 K N -1.535 118.873 120.400 0.013 0.000 2.097 551 K HA -0.185 4.144 4.320 0.015 0.000 0.206 551 K C 1.679 178.050 176.600 -0.381 0.000 1.049 551 K CA 1.706 57.910 56.287 -0.140 0.000 0.933 551 K CB -0.308 32.103 32.500 -0.147 0.000 0.717 551 K HN 0.605 nan 8.250 nan 0.000 0.442 552 Y N -0.939 119.070 120.300 -0.483 0.000 2.163 552 Y HA -0.240 4.318 4.550 0.013 0.000 0.288 552 Y C 2.006 176.908 175.900 -1.663 0.000 1.136 552 Y CA 1.502 58.935 58.100 -1.111 0.000 1.147 552 Y CB -0.304 37.470 38.460 -1.143 0.000 0.987 552 Y HN 0.172 nan 8.280 nan 0.000 0.509 553 W N 0.004 120.877 121.300 -0.711 0.000 2.358 553 W HA -0.210 4.460 4.660 0.017 0.000 0.303 553 W C 2.612 178.968 176.519 -0.272 0.000 1.208 553 W CA 1.512 58.587 57.345 -0.450 0.000 1.274 553 W CB -0.693 28.606 29.460 -0.268 0.000 1.138 553 W HN 0.049 nan 8.180 nan 0.000 0.515 554 Q N 0.722 120.440 119.800 -0.137 0.000 2.124 554 Q HA -0.168 4.181 4.340 0.015 0.000 0.202 554 Q C 2.180 178.121 176.000 -0.098 0.000 0.977 554 Q CA 2.049 57.812 55.803 -0.067 0.000 0.850 554 Q CB -0.552 28.160 28.738 -0.043 0.000 0.901 554 Q HN 0.283 nan 8.270 nan 0.000 0.429 555 A N -0.201 122.468 122.820 -0.253 0.000 1.897 555 A HA -0.080 4.249 4.320 0.015 0.000 0.215 555 A C 2.029 179.589 177.584 -0.041 0.000 1.181 555 A CA 0.876 52.796 52.037 -0.195 0.000 0.620 555 A CB -0.976 17.791 19.000 -0.389 0.000 0.821 555 A HN 0.457 nan 8.150 nan 0.000 0.443 556 F N -0.360 119.410 119.950 -0.300 0.000 2.134 556 F HA -0.204 4.332 4.527 0.014 0.000 0.299 556 F C 2.776 178.471 175.800 -0.176 0.000 1.097 556 F CA 1.106 58.895 58.000 -0.351 0.000 1.264 556 F CB -0.156 38.404 39.000 -0.732 0.000 1.001 556 F HN 0.153 nan 8.300 nan 0.000 0.479 557 R N 0.069 120.621 120.500 0.086 0.000 2.090 557 R HA -0.170 4.179 4.340 0.015 0.000 0.228 557 R C 2.142 178.476 176.300 0.057 0.000 1.110 557 R CA 1.233 57.370 56.100 0.061 0.000 0.973 557 R CB -0.414 29.920 30.300 0.057 0.000 0.869 557 R HN 0.355 nan 8.270 nan 0.000 0.440 558 Q N -0.350 119.510 119.800 0.100 0.000 2.123 558 Q HA -0.083 4.265 4.340 0.015 0.000 0.199 558 Q C -0.446 175.576 176.000 0.036 0.000 0.966 558 Q CA 1.057 56.910 55.803 0.084 0.000 0.845 558 Q CB 0.318 29.143 28.738 0.146 0.000 0.907 558 Q HN 0.191 nan 8.270 nan 0.000 0.439 559 Y N -0.002 120.281 120.300 -0.027 0.000 2.342 559 Y HA 0.262 4.820 4.550 0.013 0.000 0.338 559 Y C -1.788 174.087 175.900 -0.041 0.000 0.965 559 Y CA -2.824 55.260 58.100 -0.028 0.000 1.159 559 Y CB 1.466 39.915 38.460 -0.018 0.000 1.157 559 Y HN 0.115 nan 8.280 nan 0.000 0.486 560 P HA -0.172 nan 4.420 nan 0.000 0.215 560 P C 1.140 178.441 177.300 0.001 0.000 1.157 560 P CA 1.885 64.982 63.100 -0.006 0.000 0.874 560 P CB 0.310 31.992 31.700 -0.030 0.000 0.790 561 R N -1.205 119.316 120.500 0.035 0.000 2.307 561 R HA 0.080 4.429 4.340 0.015 0.000 0.199 561 R C 0.481 176.768 176.300 -0.022 0.000 1.000 561 R CA 0.167 56.273 56.100 0.010 0.000 1.023 561 R CB -0.511 29.805 30.300 0.026 0.000 0.908 561 R HN 0.239 nan 8.270 nan 0.000 0.473 562 L N 1.973 123.204 121.223 0.012 0.000 2.312 562 L HA 0.117 4.466 4.340 0.015 0.000 0.287 562 L C 0.585 177.312 176.870 -0.239 0.000 1.091 562 L CA 0.168 54.962 54.840 -0.077 0.000 0.846 562 L CB 1.042 43.130 42.059 0.048 0.000 1.219 562 L HN 0.086 nan 8.230 nan 0.000 0.439 563 Q N 2.822 122.405 119.800 -0.362 0.000 2.201 563 Q HA 0.303 4.652 4.340 0.015 0.000 0.217 563 Q C 0.865 176.450 176.000 -0.691 0.000 0.860 563 Q CA 0.124 55.678 55.803 -0.413 0.000 0.984 563 Q CB 1.014 29.599 28.738 -0.254 0.000 1.095 563 Q HN 0.958 nan 8.270 nan 0.000 0.477 564 G N -0.235 107.780 108.800 -1.309 0.000 2.451 564 G HA2 0.082 4.051 3.960 0.015 0.000 0.208 564 G HA3 0.082 4.051 3.960 0.015 0.000 0.208 564 G C -0.257 173.819 174.900 -1.373 0.000 1.248 564 G CA -0.739 43.201 45.100 -1.933 0.000 0.989 564 G HN 0.586 nan 8.290 nan 0.000 0.559 565 G N -2.267 106.015 108.800 -0.864 0.000 2.349 565 G HA2 0.646 4.614 3.960 0.015 0.000 0.294 565 G HA3 0.646 4.614 3.960 0.015 0.000 0.294 565 G C -1.846 173.027 174.900 -0.046 0.000 1.380 565 G CA -0.258 44.583 45.100 -0.432 0.000 0.811 565 G HN 1.162 nan 8.290 nan 0.000 0.519 566 F N 0.547 120.757 119.950 0.433 0.000 2.427 566 F HA 0.538 5.072 4.527 0.013 0.000 0.348 566 F C 0.723 176.818 175.800 0.492 0.000 1.125 566 F CA -0.777 57.502 58.000 0.466 0.000 0.989 566 F CB 2.150 41.314 39.000 0.275 0.000 1.165 566 F HN 0.263 nan 8.300 nan 0.000 0.442 567 V N 3.095 123.314 119.914 0.509 0.000 2.843 567 V HA -0.110 4.018 4.120 0.015 0.000 0.305 567 V C -0.269 175.972 176.094 0.245 0.000 1.065 567 V CA -0.366 62.017 62.300 0.139 0.000 1.116 567 V CB 0.896 32.830 31.823 0.184 0.000 0.968 567 V HN 0.774 nan 8.190 nan 0.000 0.487 568 W N 6.346 127.711 121.300 0.107 0.000 2.278 568 W HA 0.439 5.107 4.660 0.014 0.000 0.317 568 W C -0.846 175.692 176.519 0.032 0.000 1.030 568 W CA -0.585 56.859 57.345 0.164 0.000 1.334 568 W CB 1.204 30.898 29.460 0.391 0.000 1.215 568 W HN 0.937 nan 8.180 nan 0.000 0.405 569 D N 2.667 122.756 120.400 -0.519 0.000 2.921 569 D HA 0.084 4.732 4.640 0.015 0.000 0.329 569 D C 0.533 176.643 176.300 -0.317 0.000 1.293 569 D CA -0.520 53.087 54.000 -0.656 0.000 0.964 569 D CB 0.184 40.078 40.800 -1.509 0.000 1.435 569 D HN 0.394 nan 8.370 nan 0.000 0.548 570 W N 0.402 121.442 121.300 -0.434 0.000 2.452 570 W HA 0.215 4.884 4.660 0.015 0.000 0.313 570 W C -0.209 176.162 176.519 -0.247 0.000 1.176 570 W CA 0.934 58.084 57.345 -0.324 0.000 1.350 570 W CB 0.422 29.702 29.460 -0.300 0.000 1.148 570 W HN 0.142 nan 8.180 nan 0.000 0.498 571 V N 2.839 122.560 119.914 -0.323 0.000 2.709 571 V HA 0.239 4.367 4.120 0.015 0.000 0.308 571 V C -0.983 174.965 176.094 -0.243 0.000 1.062 571 V CA -0.759 61.314 62.300 -0.379 0.000 0.901 571 V CB 1.516 33.209 31.823 -0.218 0.000 1.003 571 V HN -0.111 nan 8.190 nan 0.000 0.425 572 D N 4.187 124.453 120.400 -0.223 0.000 2.493 572 D HA 0.114 4.762 4.640 0.015 0.000 0.240 572 D C 0.271 176.435 176.300 -0.226 0.000 1.142 572 D CA 0.656 54.556 54.000 -0.166 0.000 0.872 572 D CB 0.844 41.615 40.800 -0.049 0.000 1.173 572 D HN 0.602 nan 8.370 nan 0.000 0.467 573 Q N 1.232 120.818 119.800 -0.357 0.000 3.207 573 Q HA 0.161 4.510 4.340 0.015 0.000 0.335 573 Q C -0.149 175.784 176.000 -0.111 0.000 1.374 573 Q CA -0.364 54.972 55.803 -0.779 0.000 1.023 573 Q CB 0.088 28.482 28.738 -0.574 0.000 1.576 573 Q HN 0.366 nan 8.270 nan 0.000 0.515 574 S N 0.025 115.773 115.700 0.081 0.000 2.617 574 S HA 0.649 5.128 4.470 0.015 0.000 0.283 574 S C -0.133 174.634 174.600 0.278 0.000 1.189 574 S CA -0.798 57.568 58.200 0.277 0.000 1.036 574 S CB 1.474 64.824 63.200 0.249 0.000 1.014 574 S HN 0.351 nan 8.310 nan 0.000 0.522 575 L N 1.645 122.964 121.223 0.160 0.000 2.330 575 L HA 0.533 4.881 4.340 0.015 0.000 0.271 575 L C -0.383 176.402 176.870 -0.141 0.000 1.013 575 L CA -1.202 53.613 54.840 -0.042 0.000 0.816 575 L CB 1.384 43.302 42.059 -0.234 0.000 1.287 575 L HN 0.556 nan 8.230 nan 0.000 0.435 576 I N 2.326 122.753 120.570 -0.238 0.000 2.395 576 I HA 0.272 4.451 4.170 0.015 0.000 0.289 576 I C 0.123 175.836 176.117 -0.674 0.000 1.023 576 I CA -0.007 61.015 61.300 -0.462 0.000 1.350 576 I CB 1.099 38.840 38.000 -0.431 0.000 1.409 576 I HN 0.578 nan 8.210 nan 0.000 0.507 577 K N 5.146 124.865 120.400 -1.136 0.000 2.400 577 K HA 0.567 4.895 4.320 0.015 0.000 0.246 577 K C -1.563 174.207 176.600 -1.383 0.000 0.995 577 K CA -0.711 54.832 56.287 -1.240 0.000 0.840 577 K CB 2.420 33.873 32.500 -1.745 0.000 1.293 577 K HN 0.237 nan 8.250 nan 0.000 0.445 578 Y N 0.683 120.717 120.300 -0.443 0.000 2.446 578 Y HA 0.130 4.689 4.550 0.015 0.000 0.345 578 Y C 0.256 176.235 175.900 0.133 0.000 0.984 578 Y CA -1.004 57.021 58.100 -0.125 0.000 1.058 578 Y CB 1.304 39.720 38.460 -0.073 0.000 1.220 578 Y HN 0.695 nan 8.280 nan 0.000 0.455 579 D N 0.110 120.758 120.400 0.412 0.000 2.440 579 D HA 0.035 4.684 4.640 0.015 0.000 0.269 579 D C 0.774 177.190 176.300 0.192 0.000 1.249 579 D CA -0.188 54.007 54.000 0.324 0.000 1.055 579 D CB 0.628 41.564 40.800 0.227 0.000 1.104 579 D HN 0.473 nan 8.370 nan 0.000 0.561 580 E N -0.378 119.896 120.200 0.123 0.000 2.110 580 E HA -0.146 4.212 4.350 0.015 0.000 0.193 580 E C 1.397 178.036 176.600 0.064 0.000 0.988 580 E CA 0.951 57.396 56.400 0.076 0.000 0.804 580 E CB -0.396 29.332 29.700 0.047 0.000 0.745 580 E HN 0.561 nan 8.360 nan 0.000 0.458 581 N N 0.097 118.842 118.700 0.074 0.000 2.521 581 N HA -0.039 4.709 4.740 0.015 0.000 0.188 581 N C 1.226 176.779 175.510 0.073 0.000 1.146 581 N CA 0.913 54.000 53.050 0.062 0.000 0.893 581 N CB 0.523 39.044 38.487 0.058 0.000 0.975 581 N HN 0.224 nan 8.380 nan 0.000 0.451 582 G N 0.891 109.755 108.800 0.107 0.000 2.143 582 G HA2 -0.237 3.731 3.960 0.015 0.000 0.249 582 G HA3 -0.237 3.731 3.960 0.015 0.000 0.249 582 G C -0.418 174.615 174.900 0.221 0.000 0.981 582 G CA -0.388 44.779 45.100 0.112 0.000 0.665 582 G HN 0.366 nan 8.290 nan 0.000 0.528 583 N N 1.922 120.758 118.700 0.227 0.000 2.455 583 N HA 0.434 5.183 4.740 0.015 0.000 0.280 583 N C -2.498 173.156 175.510 0.241 0.000 1.055 583 N CA -1.057 52.124 53.050 0.219 0.000 0.961 583 N CB 1.976 40.557 38.487 0.158 0.000 1.121 583 N HN 0.218 nan 8.380 nan 0.000 0.476 584 P HA 0.283 nan 4.420 nan 0.000 0.278 584 P C -0.504 176.765 177.300 -0.050 0.000 1.238 584 P CA -0.343 62.627 63.100 -0.218 0.000 0.794 584 P CB 0.838 32.397 31.700 -0.234 0.000 0.955 585 W N -0.708 120.361 121.300 -0.386 0.000 3.118 585 W HA 0.451 5.119 4.660 0.014 0.000 0.328 585 W C -1.515 174.828 176.519 -0.293 0.000 1.239 585 W CA -1.080 56.050 57.345 -0.358 0.000 1.176 585 W CB 0.449 29.478 29.460 -0.717 0.000 1.433 585 W HN 0.112 nan 8.180 nan 0.000 0.562 586 S N 1.417 117.211 115.700 0.156 0.000 2.465 586 S HA 0.593 5.072 4.470 0.015 0.000 0.279 586 S C 0.117 174.893 174.600 0.292 0.000 1.201 586 S CA -0.309 57.965 58.200 0.122 0.000 1.053 586 S CB 0.918 64.251 63.200 0.222 0.000 0.953 586 S HN 0.595 nan 8.310 nan 0.000 0.488 587 A N 3.075 125.920 122.820 0.041 0.000 2.325 587 A HA 0.848 5.176 4.320 0.015 0.000 0.333 587 A C -0.633 177.210 177.584 0.431 0.000 1.155 587 A CA -0.678 51.431 52.037 0.120 0.000 0.814 587 A CB 0.531 19.317 19.000 -0.358 0.000 1.206 587 A HN 0.838 nan 8.150 nan 0.000 0.482 588 Y N -0.250 120.381 120.300 0.552 0.000 3.013 588 Y HA 0.778 5.337 4.550 0.015 0.000 0.310 588 Y C 0.677 176.945 175.900 0.613 0.000 1.450 588 Y CA -1.492 56.925 58.100 0.530 0.000 1.091 588 Y CB -0.132 38.464 38.460 0.227 0.000 1.373 588 Y HN 0.864 nan 8.280 nan 0.000 0.590 589 G N -0.206 108.984 108.800 0.650 0.000 2.265 589 G HA2 0.378 4.347 3.960 0.015 0.000 0.240 589 G HA3 0.378 4.347 3.960 0.015 0.000 0.240 589 G C 0.921 176.141 174.900 0.533 0.000 1.270 589 G CA 0.410 45.816 45.100 0.511 0.000 0.901 589 G HN 1.963 nan 8.290 nan 0.000 0.507 590 G N 2.301 111.388 108.800 0.479 0.000 2.234 590 G HA2 -0.273 3.696 3.960 0.015 0.000 0.235 590 G HA3 -0.273 3.696 3.960 0.015 0.000 0.235 590 G C 0.912 176.004 174.900 0.321 0.000 0.997 590 G CA 0.623 45.940 45.100 0.361 0.000 0.623 590 G HN 0.634 nan 8.290 nan 0.000 0.514 591 D N -0.186 120.423 120.400 0.349 0.000 2.392 591 D HA 0.144 4.792 4.640 0.015 0.000 0.228 591 D C 1.278 177.462 176.300 -0.193 0.000 1.003 591 D CA 0.535 54.582 54.000 0.079 0.000 0.917 591 D CB -0.195 40.609 40.800 0.008 0.000 0.890 591 D HN 0.480 nan 8.370 nan 0.000 0.532 592 F N -1.064 119.019 119.950 0.221 0.000 2.683 592 F HA 0.301 4.836 4.527 0.015 0.000 0.306 592 F C 1.784 177.675 175.800 0.151 0.000 1.102 592 F CA -0.139 57.950 58.000 0.149 0.000 1.244 592 F CB 0.816 39.898 39.000 0.138 0.000 1.029 592 F HN -0.051 nan 8.300 nan 0.000 0.545 593 G N 0.440 109.399 108.800 0.265 0.000 2.179 593 G HA2 -0.275 3.694 3.960 0.015 0.000 0.260 593 G HA3 -0.275 3.694 3.960 0.015 0.000 0.260 593 G C -0.238 174.799 174.900 0.229 0.000 0.977 593 G CA 0.160 45.383 45.100 0.206 0.000 0.641 593 G HN 0.391 nan 8.290 nan 0.000 0.533 594 D N 0.597 121.182 120.400 0.308 0.000 2.417 594 D HA 0.493 5.142 4.640 0.015 0.000 0.250 594 D C 0.163 176.582 176.300 0.199 0.000 1.166 594 D CA 0.928 55.095 54.000 0.278 0.000 0.881 594 D CB 1.583 42.605 40.800 0.370 0.000 1.164 594 D HN 0.342 nan 8.370 nan 0.000 0.467 595 T N 1.087 115.727 114.554 0.143 0.000 2.982 595 T HA 0.449 4.807 4.350 0.015 0.000 0.321 595 T C -2.740 171.994 174.700 0.058 0.000 1.229 595 T CA -1.227 60.930 62.100 0.094 0.000 1.044 595 T CB 1.118 70.044 68.868 0.096 0.000 1.184 595 T HN 0.176 nan 8.240 nan 0.000 0.477 596 P HA 0.462 nan 4.420 nan 0.000 0.270 596 P C -0.915 176.372 177.300 -0.022 0.000 1.223 596 P CA -0.280 62.817 63.100 -0.004 0.000 0.785 596 P CB 0.341 32.012 31.700 -0.047 0.000 0.923 597 N N -1.515 117.170 118.700 -0.024 0.000 2.774 597 N HA 0.329 5.077 4.740 0.015 0.000 0.264 597 N C -1.100 174.345 175.510 -0.108 0.000 1.415 597 N CA -0.787 52.221 53.050 -0.071 0.000 0.815 597 N CB 0.822 39.358 38.487 0.082 0.000 1.514 597 N HN 0.071 nan 8.380 nan 0.000 0.523 598 D N -0.405 119.870 120.400 -0.210 0.000 2.643 598 D HA 0.139 4.788 4.640 0.015 0.000 0.244 598 D C 0.419 176.904 176.300 0.309 0.000 1.257 598 D CA -0.161 53.797 54.000 -0.071 0.000 0.831 598 D CB 0.145 40.766 40.800 -0.299 0.000 1.043 598 D HN 0.713 nan 8.370 nan 0.000 0.488 599 R N 0.833 121.520 120.500 0.312 0.000 3.682 599 R HA -0.319 4.030 4.340 0.015 0.000 0.519 599 R C 1.043 177.394 176.300 0.085 0.000 0.241 599 R CA 1.479 57.771 56.100 0.320 0.000 1.619 599 R CB -1.587 28.818 30.300 0.176 0.000 0.923 599 R HN 0.120 nan 8.270 nan 0.000 0.598 600 Q N 1.582 121.092 119.800 -0.482 0.000 2.466 600 Q HA -0.002 4.347 4.340 0.015 0.000 0.210 600 Q C 1.588 177.309 176.000 -0.464 0.000 0.961 600 Q CA 1.307 56.628 55.803 -0.802 0.000 0.953 600 Q CB -0.074 27.959 28.738 -1.175 0.000 1.011 600 Q HN 0.616 nan 8.270 nan 0.000 0.516 601 F N 1.370 121.252 119.950 -0.113 0.000 2.546 601 F HA -0.113 4.422 4.527 0.014 0.000 0.298 601 F C 2.146 177.904 175.800 -0.070 0.000 1.120 601 F CA 0.978 58.992 58.000 0.022 0.000 1.456 601 F CB -0.062 39.013 39.000 0.126 0.000 1.088 601 F HN 0.399 nan 8.300 nan 0.000 0.572 602 C N -1.323 117.704 119.300 -0.455 0.000 2.576 602 C HA 0.235 4.703 4.460 0.015 0.000 0.267 602 C C 0.974 175.758 174.990 -0.344 0.000 1.364 602 C CA -0.522 58.045 59.018 -0.752 0.000 1.723 602 C CB -1.665 25.081 27.740 -1.657 0.000 1.778 602 C HN 0.172 nan 8.230 nan 0.000 0.572 603 M N 2.688 122.141 119.600 -0.245 0.000 2.055 603 M HA 0.287 4.776 4.480 0.015 0.000 0.346 603 M C -0.479 175.703 176.300 -0.198 0.000 1.074 603 M CA 0.355 55.544 55.300 -0.185 0.000 1.009 603 M CB 0.047 32.568 32.600 -0.132 0.000 1.423 603 M HN 0.358 nan 8.290 nan 0.000 0.410 604 N N 1.060 119.643 118.700 -0.195 0.000 2.307 604 N HA 0.211 4.960 4.740 0.015 0.000 0.248 604 N C 0.199 175.524 175.510 -0.308 0.000 1.322 604 N CA -0.559 52.334 53.050 -0.263 0.000 0.861 604 N CB 1.269 39.658 38.487 -0.164 0.000 1.303 604 N HN 0.667 nan 8.380 nan 0.000 0.498 605 G N -0.023 108.619 108.800 -0.264 0.000 2.451 605 G HA2 0.380 4.349 3.960 0.015 0.000 0.303 605 G HA3 0.380 4.349 3.960 0.015 0.000 0.303 605 G C 0.717 175.484 174.900 -0.222 0.000 1.166 605 G CA -0.569 44.353 45.100 -0.297 0.000 0.884 605 G HN 0.105 nan 8.290 nan 0.000 0.514 606 L N 0.042 121.060 121.223 -0.341 0.000 2.291 606 L HA 0.092 4.441 4.340 0.015 0.000 0.214 606 L C 0.913 177.534 176.870 -0.416 0.000 1.120 606 L CA 0.431 55.096 54.840 -0.292 0.000 0.799 606 L CB -0.393 41.492 42.059 -0.291 0.000 0.925 606 L HN 0.398 nan 8.230 nan 0.000 0.446 607 V N -5.235 114.264 119.914 -0.692 0.000 3.001 607 V HA 0.469 4.597 4.120 0.015 0.000 0.314 607 V C -0.211 175.439 176.094 -0.741 0.000 1.099 607 V CA -1.294 60.556 62.300 -0.751 0.000 0.989 607 V CB 1.589 32.954 31.823 -0.763 0.000 1.040 607 V HN -0.157 nan 8.190 nan 0.000 0.434 608 F N 1.246 120.767 119.950 -0.716 0.000 2.435 608 F HA 0.554 5.090 4.527 0.015 0.000 0.316 608 F C 1.971 177.603 175.800 -0.280 0.000 1.220 608 F CA 0.623 58.352 58.000 -0.452 0.000 1.241 608 F CB 0.869 39.642 39.000 -0.378 0.000 1.234 608 F HN 0.778 nan 8.300 nan 0.000 0.569 609 A N 0.724 123.579 122.820 0.057 0.000 1.986 609 A HA -0.247 4.082 4.320 0.015 0.000 0.220 609 A C 1.594 179.130 177.584 -0.080 0.000 1.171 609 A CA 2.036 54.082 52.037 0.016 0.000 0.640 609 A CB -1.007 18.043 19.000 0.083 0.000 0.811 609 A HN 0.797 nan 8.150 nan 0.000 0.451 610 D N -3.179 117.176 120.400 -0.075 0.000 2.319 610 D HA 0.167 4.816 4.640 0.015 0.000 0.230 610 D C 0.639 176.887 176.300 -0.087 0.000 1.094 610 D CA -0.019 53.909 54.000 -0.119 0.000 0.856 610 D CB -0.055 40.676 40.800 -0.115 0.000 0.915 610 D HN 0.210 nan 8.370 nan 0.000 0.517 611 R N -1.908 118.541 120.500 -0.085 0.000 3.804 611 R HA -0.121 4.227 4.340 0.015 0.000 0.459 611 R C -0.304 175.952 176.300 -0.073 0.000 1.009 611 R CA 1.042 57.092 56.100 -0.083 0.000 1.210 611 R CB -3.238 27.062 30.300 -0.000 0.000 1.860 611 R HN 0.249 nan 8.270 nan 0.000 0.526 612 T N 2.559 117.082 114.554 -0.051 0.000 2.901 612 T HA 0.356 4.715 4.350 0.015 0.000 0.301 612 T C -2.328 172.371 174.700 -0.002 0.000 1.012 612 T CA -0.835 61.250 62.100 -0.025 0.000 1.135 612 T CB 1.040 69.853 68.868 -0.092 0.000 0.936 612 T HN -0.102 nan 8.240 nan 0.000 0.539 613 P HA 0.249 nan 4.420 nan 0.000 0.275 613 P C -0.354 176.887 177.300 -0.098 0.000 1.228 613 P CA -0.266 62.767 63.100 -0.113 0.000 0.786 613 P CB 0.441 32.118 31.700 -0.039 0.000 0.927 614 H N 2.737 121.689 119.070 -0.196 0.000 2.509 614 H HA 0.150 4.715 4.556 0.014 0.000 0.359 614 H C -1.216 174.036 175.328 -0.126 0.000 1.253 614 H CA -1.378 54.519 56.048 -0.252 0.000 1.373 614 H CB -0.021 29.525 29.762 -0.361 0.000 1.555 614 H HN 0.351 nan 8.280 nan 0.000 0.586 615 P HA -0.175 nan 4.420 nan 0.000 0.216 615 P C 1.006 178.310 177.300 0.007 0.000 1.150 615 P CA 1.720 64.826 63.100 0.009 0.000 0.837 615 P CB 0.011 31.718 31.700 0.011 0.000 0.786 616 A N -0.600 122.219 122.820 -0.003 0.000 2.076 616 A HA -0.192 4.137 4.320 0.015 0.000 0.220 616 A C 2.055 179.594 177.584 -0.074 0.000 1.160 616 A CA 1.232 53.230 52.037 -0.065 0.000 0.653 616 A CB -1.607 17.320 19.000 -0.122 0.000 0.801 616 A HN 0.169 nan 8.150 nan 0.000 0.455 617 L N -0.338 120.870 121.223 -0.025 0.000 2.083 617 L HA -0.118 4.231 4.340 0.015 0.000 0.209 617 L C 2.368 179.288 176.870 0.084 0.000 1.083 617 L CA 2.691 57.550 54.840 0.032 0.000 0.752 617 L CB -0.834 41.245 42.059 0.034 0.000 0.899 617 L HN 0.351 nan 8.230 nan 0.000 0.433 618 T N -1.230 113.376 114.554 0.086 0.000 2.904 618 T HA -0.147 4.211 4.350 0.015 0.000 0.267 618 T C 1.690 176.500 174.700 0.183 0.000 1.059 618 T CA 1.216 63.423 62.100 0.178 0.000 1.137 618 T CB -0.090 68.864 68.868 0.143 0.000 0.879 618 T HN 0.323 nan 8.240 nan 0.000 0.467 619 E N 1.658 121.903 120.200 0.075 0.000 2.077 619 E HA -0.055 4.303 4.350 0.015 0.000 0.193 619 E C 2.223 178.818 176.600 -0.008 0.000 0.989 619 E CA 1.343 57.781 56.400 0.063 0.000 0.800 619 E CB -0.483 29.216 29.700 -0.002 0.000 0.746 619 E HN 0.446 nan 8.360 nan 0.000 0.452 620 A N 0.877 123.596 122.820 -0.168 0.000 1.873 620 A HA -0.206 4.123 4.320 0.015 0.000 0.215 620 A C 2.167 179.640 177.584 -0.185 0.000 1.186 620 A CA 1.875 53.761 52.037 -0.252 0.000 0.616 620 A CB -0.615 18.247 19.000 -0.230 0.000 0.823 620 A HN 0.259 nan 8.150 nan 0.000 0.442 621 K N -1.258 119.113 120.400 -0.048 0.000 2.063 621 K HA -0.280 4.048 4.320 0.015 0.000 0.208 621 K C 2.045 178.542 176.600 -0.171 0.000 1.048 621 K CA 1.973 58.238 56.287 -0.037 0.000 0.928 621 K CB -0.333 32.295 32.500 0.213 0.000 0.713 621 K HN 0.633 nan 8.250 nan 0.000 0.442 622 H N 0.434 119.326 119.070 -0.297 0.000 2.326 622 H HA -0.011 4.554 4.556 0.015 0.000 0.301 622 H C 1.971 177.035 175.328 -0.440 0.000 1.081 622 H CA 1.737 57.426 56.048 -0.599 0.000 1.334 622 H CB 0.091 29.540 29.762 -0.522 0.000 1.385 622 H HN 0.221 nan 8.280 nan 0.000 0.504 623 Q N 0.276 119.834 119.800 -0.404 0.000 2.224 623 Q HA -0.095 4.254 4.340 0.015 0.000 0.203 623 Q C 1.547 177.040 176.000 -0.845 0.000 0.970 623 Q CA 1.168 56.677 55.803 -0.489 0.000 0.865 623 Q CB 0.009 28.643 28.738 -0.173 0.000 0.922 623 Q HN 0.705 nan 8.270 nan 0.000 0.445 624 Q N 0.268 119.511 119.800 -0.929 0.000 2.322 624 Q HA 0.065 4.413 4.340 0.015 0.000 0.203 624 Q C -0.073 175.395 176.000 -0.886 0.000 0.923 624 Q CA -0.187 54.918 55.803 -1.162 0.000 0.949 624 Q CB 0.287 28.379 28.738 -1.077 0.000 1.039 624 Q HN 0.386 nan 8.270 nan 0.000 0.496 625 Q N -0.550 118.871 119.800 -0.632 0.000 2.474 625 Q HA -0.010 4.338 4.340 0.015 0.000 0.256 625 Q C -0.100 175.546 176.000 -0.591 0.000 1.048 625 Q CA 0.343 55.901 55.803 -0.409 0.000 0.922 625 Q CB 0.461 29.043 28.738 -0.260 0.000 1.288 625 Q HN 0.290 nan 8.270 nan 0.000 0.484 626 F N -0.059 119.631 119.950 -0.433 0.000 2.727 626 F HA 0.232 4.767 4.527 0.014 0.000 0.302 626 F C -0.213 174.982 175.800 -1.008 0.000 1.097 626 F CA -0.029 57.467 58.000 -0.840 0.000 1.330 626 F CB 0.563 38.719 39.000 -1.407 0.000 1.084 626 F HN 0.293 nan 8.300 nan 0.000 0.578 627 F N 0.503 120.379 119.950 -0.122 0.000 2.529 627 F HA 0.481 5.017 4.527 0.015 0.000 0.320 627 F C -0.149 175.340 175.800 -0.518 0.000 1.118 627 F CA -1.118 56.702 58.000 -0.301 0.000 0.915 627 F CB 1.288 40.105 39.000 -0.305 0.000 1.161 627 F HN -0.308 nan 8.300 nan 0.000 0.445 628 Q N 3.232 122.806 119.800 -0.377 0.000 2.306 628 Q HA 0.580 4.929 4.340 0.015 0.000 0.265 628 Q C -1.350 174.404 176.000 -0.410 0.000 1.022 628 Q CA -0.633 54.998 55.803 -0.286 0.000 0.853 628 Q CB 2.892 31.571 28.738 -0.098 0.000 1.327 628 Q HN 0.560 nan 8.270 nan 0.000 0.449 629 F N 0.640 120.723 119.950 0.222 0.000 2.563 629 F HA 0.607 5.143 4.527 0.015 0.000 0.316 629 F C 0.237 176.273 175.800 0.393 0.000 1.076 629 F CA -1.036 57.166 58.000 0.337 0.000 0.921 629 F CB 1.683 41.014 39.000 0.552 0.000 1.209 629 F HN 0.112 nan 8.300 nan 0.000 0.462 630 R N 1.686 122.476 120.500 0.485 0.000 2.744 630 R HA 0.672 5.020 4.340 0.015 0.000 0.279 630 R C -1.871 174.456 176.300 0.045 0.000 0.977 630 R CA -1.168 55.121 56.100 0.315 0.000 0.906 630 R CB 2.140 32.538 30.300 0.162 0.000 1.197 630 R HN 0.643 nan 8.270 nan 0.000 0.463 631 L N 0.102 121.201 121.223 -0.207 0.000 2.341 631 L HA 0.645 4.993 4.340 0.015 0.000 0.278 631 L C -0.824 175.872 176.870 -0.291 0.000 1.005 631 L CA 0.114 54.624 54.840 -0.550 0.000 0.818 631 L CB 2.184 43.455 42.059 -1.313 0.000 1.259 631 L HN 0.508 nan 8.230 nan 0.000 0.418 632 S N 3.466 119.032 115.700 -0.224 0.000 2.756 632 S HA 0.703 5.182 4.470 0.015 0.000 0.303 632 S C 0.357 174.865 174.600 -0.152 0.000 1.135 632 S CA 0.195 58.308 58.200 -0.144 0.000 1.066 632 S CB 0.595 63.744 63.200 -0.085 0.000 1.008 632 S HN 1.411 nan 8.310 nan 0.000 0.482 633 G N 4.238 112.951 108.800 -0.146 0.000 2.601 633 G HA2 -0.333 3.635 3.960 0.015 0.000 0.306 633 G HA3 -0.333 3.635 3.960 0.015 0.000 0.306 633 G C 0.412 175.208 174.900 -0.174 0.000 1.172 633 G CA 0.827 45.847 45.100 -0.133 0.000 0.966 633 G HN 0.922 nan 8.290 nan 0.000 0.542 634 Q N -0.022 119.679 119.800 -0.166 0.000 2.157 634 Q HA 0.481 4.830 4.340 0.015 0.000 0.229 634 Q C -0.184 175.683 176.000 -0.222 0.000 0.827 634 Q CA 0.536 56.215 55.803 -0.207 0.000 1.055 634 Q CB 0.507 29.133 28.738 -0.186 0.000 1.157 634 Q HN 0.439 nan 8.270 nan 0.000 0.482 635 T N 1.679 116.115 114.554 -0.198 0.000 2.771 635 T HA 0.524 4.882 4.350 0.015 0.000 0.281 635 T C -0.359 174.227 174.700 -0.190 0.000 0.982 635 T CA -0.400 61.599 62.100 -0.168 0.000 0.978 635 T CB 1.076 69.875 68.868 -0.115 0.000 0.930 635 T HN 0.220 nan 8.240 nan 0.000 0.447 636 I N 2.719 123.193 120.570 -0.159 0.000 2.359 636 I HA 0.341 4.519 4.170 0.015 0.000 0.294 636 I C 0.493 176.615 176.117 0.009 0.000 0.987 636 I CA -0.637 60.596 61.300 -0.112 0.000 1.225 636 I CB 1.426 39.392 38.000 -0.056 0.000 1.366 636 I HN 0.560 nan 8.210 nan 0.000 0.466 637 E N 6.467 126.705 120.200 0.063 0.000 2.133 637 E HA 0.459 4.818 4.350 0.015 0.000 0.274 637 E C -1.634 175.051 176.600 0.140 0.000 0.930 637 E CA -0.599 55.849 56.400 0.079 0.000 0.770 637 E CB 1.636 31.370 29.700 0.057 0.000 1.104 637 E HN 0.354 nan 8.360 nan 0.000 0.403 638 V N 4.103 124.074 119.914 0.095 0.000 2.417 638 V HA 0.338 4.467 4.120 0.015 0.000 0.291 638 V C -0.073 176.023 176.094 0.003 0.000 1.024 638 V CA -0.621 61.691 62.300 0.019 0.000 0.861 638 V CB 1.707 33.552 31.823 0.036 0.000 0.985 638 V HN 0.709 nan 8.190 nan 0.000 0.436 639 T N 3.150 117.677 114.554 -0.046 0.000 2.807 639 T HA 0.339 4.698 4.350 0.015 0.000 0.279 639 T C -0.035 174.681 174.700 0.026 0.000 0.993 639 T CA -0.255 61.843 62.100 -0.004 0.000 0.970 639 T CB 1.581 70.433 68.868 -0.027 0.000 0.950 639 T HN 0.668 nan 8.240 nan 0.000 0.441 640 S N 1.801 117.537 115.700 0.060 0.000 2.513 640 S HA 0.199 4.677 4.470 0.015 0.000 0.276 640 S C 0.811 175.333 174.600 -0.132 0.000 1.254 640 S CA -0.525 57.682 58.200 0.011 0.000 1.053 640 S CB 0.486 63.761 63.200 0.124 0.000 0.958 640 S HN 0.719 nan 8.310 nan 0.000 0.491 641 E N 3.209 123.222 120.200 -0.311 0.000 2.463 641 E HA 0.090 4.449 4.350 0.015 0.000 0.193 641 E C -0.714 175.727 176.600 -0.266 0.000 1.041 641 E CA -0.101 56.134 56.400 -0.276 0.000 0.879 641 E CB 0.305 29.806 29.700 -0.332 0.000 0.997 641 E HN 0.697 nan 8.360 nan 0.000 0.478 642 Y N 0.262 120.473 120.300 -0.148 0.000 2.379 642 Y HA 0.007 4.566 4.550 0.014 0.000 0.337 642 Y C 1.421 177.181 175.900 -0.233 0.000 1.238 642 Y CA 0.060 58.070 58.100 -0.150 0.000 1.405 642 Y CB 0.780 39.136 38.460 -0.172 0.000 1.310 642 Y HN -0.040 nan 8.280 nan 0.000 0.569 643 L N 0.968 122.050 121.223 -0.236 0.000 2.515 643 L HA 0.084 4.433 4.340 0.015 0.000 0.223 643 L C 0.598 177.042 176.870 -0.710 0.000 1.079 643 L CA 0.567 55.023 54.840 -0.641 0.000 0.857 643 L CB 0.083 41.378 42.059 -1.274 0.000 1.050 643 L HN 0.657 nan 8.230 nan 0.000 0.476 644 F N -0.562 119.420 119.950 0.053 0.000 2.729 644 F HA 0.208 4.743 4.527 0.013 0.000 0.304 644 F C 1.210 177.004 175.800 -0.009 0.000 1.008 644 F CA -0.800 57.201 58.000 0.001 0.000 1.188 644 F CB 0.383 39.361 39.000 -0.037 0.000 0.980 644 F HN -0.150 nan 8.300 nan 0.000 0.627 645 R N 0.258 120.818 120.500 0.100 0.000 2.536 645 R HA 0.461 4.810 4.340 0.015 0.000 0.279 645 R C -0.942 175.371 176.300 0.022 0.000 1.001 645 R CA -0.663 55.439 56.100 0.004 0.000 1.027 645 R CB 0.920 31.110 30.300 -0.183 0.000 1.096 645 R HN 0.075 nan 8.270 nan 0.000 0.502 646 H N 0.493 119.552 119.070 -0.019 0.000 2.546 646 H HA 0.123 4.688 4.556 0.014 0.000 0.365 646 H C -0.097 175.246 175.328 0.024 0.000 1.220 646 H CA 0.017 56.082 56.048 0.028 0.000 1.386 646 H CB 1.204 30.985 29.762 0.032 0.000 1.510 646 H HN 0.754 nan 8.280 nan 0.000 0.591 647 S N 1.848 117.429 115.700 -0.198 0.000 4.183 647 S HA -0.015 4.464 4.470 0.015 0.000 0.195 647 S C 0.072 174.769 174.600 0.161 0.000 1.421 647 S CA -0.237 57.997 58.200 0.057 0.000 0.920 647 S CB -0.726 62.513 63.200 0.065 0.000 1.525 647 S HN 0.722 nan 8.310 nan 0.000 0.447 648 D N 0.722 121.239 120.400 0.196 0.000 2.336 648 D HA 0.007 4.656 4.640 0.015 0.000 0.229 648 D C 0.367 176.727 176.300 0.100 0.000 1.061 648 D CA -0.069 54.036 54.000 0.176 0.000 0.875 648 D CB -0.302 40.578 40.800 0.134 0.000 0.904 648 D HN 0.512 nan 8.370 nan 0.000 0.525 649 N N -0.039 118.720 118.700 0.098 0.000 2.651 649 N HA 0.161 4.910 4.740 0.015 0.000 0.277 649 N C -1.629 173.947 175.510 0.109 0.000 1.787 649 N CA -0.232 52.869 53.050 0.084 0.000 0.818 649 N CB 0.297 38.824 38.487 0.067 0.000 1.316 649 N HN -0.049 nan 8.380 nan 0.000 0.503 650 E N 0.090 120.344 120.200 0.090 0.000 2.352 650 E HA 0.496 4.855 4.350 0.015 0.000 0.280 650 E C -1.427 175.193 176.600 0.033 0.000 0.930 650 E CA -0.699 55.745 56.400 0.073 0.000 0.765 650 E CB 2.355 32.063 29.700 0.013 0.000 1.219 650 E HN 0.307 nan 8.360 nan 0.000 0.434 651 L N 1.328 122.578 121.223 0.046 0.000 2.393 651 L HA 0.724 5.073 4.340 0.015 0.000 0.260 651 L C -1.760 175.138 176.870 0.048 0.000 1.002 651 L CA -1.177 53.670 54.840 0.013 0.000 0.818 651 L CB 1.488 43.529 42.059 -0.029 0.000 1.369 651 L HN 0.555 nan 8.230 nan 0.000 0.412 652 L N 2.498 123.736 121.223 0.024 0.000 2.296 652 L HA 0.556 4.905 4.340 0.015 0.000 0.286 652 L C -0.885 176.023 176.870 0.064 0.000 1.023 652 L CA 0.207 55.120 54.840 0.122 0.000 0.812 652 L CB 1.088 43.252 42.059 0.176 0.000 1.223 652 L HN 0.651 nan 8.230 nan 0.000 0.421 653 H N 4.483 123.640 119.070 0.145 0.000 2.472 653 H HA 0.655 5.220 4.556 0.014 0.000 0.338 653 H C -1.088 174.337 175.328 0.162 0.000 1.133 653 H CA -0.181 55.908 56.048 0.069 0.000 1.216 653 H CB 1.137 30.897 29.762 -0.004 0.000 1.497 653 H HN 0.614 nan 8.280 nan 0.000 0.500 654 W N 3.725 125.120 121.300 0.159 0.000 3.032 654 W HA 0.593 5.261 4.660 0.014 0.000 0.335 654 W C -1.771 174.813 176.519 0.109 0.000 1.154 654 W CA -1.296 56.126 57.345 0.128 0.000 1.204 654 W CB 1.133 30.652 29.460 0.098 0.000 1.416 654 W HN 0.494 nan 8.180 nan 0.000 0.521 655 M N 2.356 122.152 119.600 0.326 0.000 2.433 655 M HA 0.683 5.171 4.480 0.015 0.000 0.290 655 M C -2.048 174.463 176.300 0.352 0.000 1.173 655 M CA -1.070 54.312 55.300 0.137 0.000 0.905 655 M CB 1.817 34.403 32.600 -0.024 0.000 1.692 655 M HN 0.118 nan 8.290 nan 0.000 0.462 656 V N 1.929 122.038 119.914 0.325 0.000 2.495 656 V HA 0.927 5.055 4.120 0.015 0.000 0.298 656 V C -0.264 175.945 176.094 0.190 0.000 1.031 656 V CA -0.400 62.079 62.300 0.299 0.000 0.871 656 V CB 1.526 33.539 31.823 0.318 0.000 0.988 656 V HN 1.056 nan 8.190 nan 0.000 0.432 657 A N 4.558 127.499 122.820 0.200 0.000 2.475 657 A HA 0.886 5.215 4.320 0.015 0.000 0.301 657 A C -1.450 176.252 177.584 0.195 0.000 1.059 657 A CA -0.611 51.513 52.037 0.145 0.000 0.710 657 A CB 1.714 20.761 19.000 0.078 0.000 1.288 657 A HN 0.844 nan 8.150 nan 0.000 0.408 658 L N 1.648 122.954 121.223 0.137 0.000 2.280 658 L HA 0.518 4.866 4.340 0.015 0.000 0.287 658 L C -0.487 176.477 176.870 0.157 0.000 1.023 658 L CA 0.221 55.155 54.840 0.157 0.000 0.819 658 L CB 0.475 42.595 42.059 0.102 0.000 1.212 658 L HN 0.777 nan 8.230 nan 0.000 0.420 659 D N 4.467 125.024 120.400 0.262 0.000 2.737 659 D HA -0.229 4.420 4.640 0.015 0.000 0.233 659 D C 1.092 177.417 176.300 0.041 0.000 1.155 659 D CA 1.410 55.547 54.000 0.228 0.000 0.667 659 D CB -1.236 39.681 40.800 0.196 0.000 1.060 659 D HN 1.196 nan 8.370 nan 0.000 0.427 660 G N -0.852 107.936 108.800 -0.021 0.000 2.194 660 G HA2 -0.333 3.636 3.960 0.015 0.000 0.236 660 G HA3 -0.333 3.636 3.960 0.015 0.000 0.236 660 G C 0.119 174.933 174.900 -0.144 0.000 0.987 660 G CA 0.331 45.307 45.100 -0.207 0.000 0.635 660 G HN 0.499 nan 8.290 nan 0.000 0.520 661 K N 1.795 122.165 120.400 -0.049 0.000 2.253 661 K HA 0.497 4.826 4.320 0.015 0.000 0.277 661 K C -2.786 173.806 176.600 -0.014 0.000 1.053 661 K CA -2.014 54.249 56.287 -0.039 0.000 0.892 661 K CB 1.860 34.353 32.500 -0.011 0.000 1.102 661 K HN 0.032 nan 8.250 nan 0.000 0.469 662 P HA -0.084 nan 4.420 nan 0.000 0.264 662 P C -0.034 177.268 177.300 0.004 0.000 1.183 662 P CA -0.038 63.048 63.100 -0.024 0.000 0.763 662 P CB 0.636 32.302 31.700 -0.056 0.000 0.807 663 L N 1.476 122.719 121.223 0.033 0.000 2.758 663 L HA 0.524 4.872 4.340 0.015 0.000 0.234 663 L C 0.364 177.272 176.870 0.064 0.000 1.049 663 L CA 0.677 55.550 54.840 0.054 0.000 0.908 663 L CB 0.333 42.444 42.059 0.087 0.000 1.362 663 L HN 0.460 nan 8.230 nan 0.000 0.499 664 A N -0.608 122.255 122.820 0.071 0.000 2.567 664 A HA 0.626 4.955 4.320 0.015 0.000 0.291 664 A C -1.065 176.425 177.584 -0.156 0.000 1.048 664 A CA 0.317 52.386 52.037 0.054 0.000 0.661 664 A CB 1.270 20.415 19.000 0.242 0.000 1.288 664 A HN 0.217 nan 8.150 nan 0.000 0.424 665 S N -0.897 114.468 115.700 -0.557 0.000 2.597 665 S HA 0.906 5.385 4.470 0.015 0.000 0.274 665 S C -0.324 173.398 174.600 -1.464 0.000 1.132 665 S CA 0.096 57.524 58.200 -1.286 0.000 0.835 665 S CB 0.871 63.712 63.200 -0.599 0.000 1.092 665 S HN 2.663 nan 8.310 nan 0.000 0.457 666 G N 0.196 107.782 108.800 -2.024 0.000 2.606 666 G HA2 0.717 4.686 3.960 0.015 0.000 0.300 666 G HA3 0.717 4.686 3.960 0.015 0.000 0.300 666 G C -2.167 172.386 174.900 -0.578 0.000 1.360 666 G CA -0.659 43.938 45.100 -0.839 0.000 0.783 666 G HN 1.110 nan 8.290 nan 0.000 0.484 667 E N -1.580 118.572 120.200 -0.079 0.000 2.356 667 E HA 0.707 5.066 4.350 0.015 0.000 0.275 667 E C -1.691 174.952 176.600 0.071 0.000 0.904 667 E CA -1.044 55.306 56.400 -0.084 0.000 0.757 667 E CB 2.934 32.425 29.700 -0.347 0.000 1.232 667 E HN 0.421 nan 8.360 nan 0.000 0.442 668 V N 1.879 121.830 119.914 0.062 0.000 2.733 668 V HA 0.416 4.545 4.120 0.015 0.000 0.306 668 V C -2.507 173.603 176.094 0.027 0.000 1.084 668 V CA -1.888 60.455 62.300 0.070 0.000 0.905 668 V CB 2.181 34.071 31.823 0.112 0.000 1.010 668 V HN 0.676 nan 8.190 nan 0.000 0.424 669 P HA 0.352 nan 4.420 nan 0.000 0.275 669 P C -0.873 176.443 177.300 0.026 0.000 1.228 669 P CA -0.189 62.923 63.100 0.019 0.000 0.786 669 P CB 0.698 32.417 31.700 0.030 0.000 0.927 670 L N 2.735 123.964 121.223 0.010 0.000 2.275 670 L HA 0.335 4.684 4.340 0.015 0.000 0.288 670 L C 0.353 177.235 176.870 0.020 0.000 1.046 670 L CA 0.031 54.859 54.840 -0.020 0.000 0.805 670 L CB 0.853 42.834 42.059 -0.130 0.000 1.193 670 L HN 0.301 nan 8.230 nan 0.000 0.426 671 D N 3.423 123.843 120.400 0.034 0.000 2.513 671 D HA 0.241 4.890 4.640 0.015 0.000 0.295 671 D C -1.316 174.970 176.300 -0.024 0.000 1.202 671 D CA -0.030 54.048 54.000 0.130 0.000 0.849 671 D CB 1.244 42.155 40.800 0.186 0.000 1.116 671 D HN 0.107 nan 8.370 nan 0.000 0.502 672 V N 1.555 121.287 119.914 -0.304 0.000 2.540 672 V HA 0.865 4.994 4.120 0.015 0.000 0.302 672 V C -0.088 175.749 176.094 -0.428 0.000 1.035 672 V CA -0.500 61.675 62.300 -0.209 0.000 0.873 672 V CB 1.372 33.191 31.823 -0.008 0.000 0.992 672 V HN 0.463 nan 8.190 nan 0.000 0.428 673 A N 8.679 131.417 122.820 -0.136 0.000 2.313 673 A HA 0.733 5.062 4.320 0.015 0.000 0.261 673 A C -2.443 175.154 177.584 0.021 0.000 1.090 673 A CA -1.418 50.626 52.037 0.012 0.000 0.807 673 A CB -0.053 19.040 19.000 0.155 0.000 1.055 673 A HN 0.763 nan 8.150 nan 0.000 0.492 674 P HA 0.034 nan 4.420 nan 0.000 0.264 674 P C -0.544 176.759 177.300 0.005 0.000 1.193 674 P CA 0.549 63.672 63.100 0.038 0.000 0.763 674 P CB 0.686 32.392 31.700 0.010 0.000 0.810 675 Q N -0.980 118.812 119.800 -0.014 0.000 2.362 675 Q HA -0.170 4.179 4.340 0.015 0.000 0.220 675 Q C 0.785 176.783 176.000 -0.004 0.000 0.713 675 Q CA 1.834 57.618 55.803 -0.030 0.000 1.345 675 Q CB -2.546 26.167 28.738 -0.042 0.000 1.570 675 Q HN 0.768 nan 8.270 nan 0.000 0.701 676 G N 0.062 108.872 108.800 0.017 0.000 2.532 676 G HA2 0.559 4.528 3.960 0.015 0.000 0.291 676 G HA3 0.559 4.528 3.960 0.015 0.000 0.291 676 G C -0.165 174.752 174.900 0.029 0.000 1.349 676 G CA -0.507 44.608 45.100 0.025 0.000 1.038 676 G HN 0.014 nan 8.290 nan 0.000 0.518 677 K N -1.042 119.376 120.400 0.030 0.000 2.444 677 K HA 0.560 4.888 4.320 0.015 0.000 0.252 677 K C -0.990 175.630 176.600 0.034 0.000 0.993 677 K CA -0.662 55.644 56.287 0.031 0.000 0.847 677 K CB 2.484 34.998 32.500 0.024 0.000 1.340 677 K HN 0.528 nan 8.250 nan 0.000 0.446 678 Q N 1.942 121.763 119.800 0.035 0.000 2.295 678 Q HA 0.356 4.705 4.340 0.015 0.000 0.268 678 Q C -1.861 174.160 176.000 0.034 0.000 1.010 678 Q CA -0.596 55.228 55.803 0.034 0.000 0.856 678 Q CB 1.470 30.228 28.738 0.034 0.000 1.349 678 Q HN 0.526 nan 8.270 nan 0.000 0.412 679 L N 4.613 125.850 121.223 0.022 0.000 2.295 679 L HA 0.606 4.955 4.340 0.015 0.000 0.285 679 L C -0.595 176.274 176.870 -0.001 0.000 1.035 679 L CA -0.743 54.102 54.840 0.007 0.000 0.806 679 L CB 1.381 43.436 42.059 -0.006 0.000 1.214 679 L HN 0.581 nan 8.230 nan 0.000 0.426 680 I N 3.038 123.597 120.570 -0.017 0.000 2.447 680 I HA 0.217 4.395 4.170 0.015 0.000 0.287 680 I C -0.506 175.554 176.117 -0.095 0.000 1.023 680 I CA -0.499 60.778 61.300 -0.039 0.000 1.083 680 I CB 1.932 39.919 38.000 -0.021 0.000 1.245 680 I HN 0.507 nan 8.210 nan 0.000 0.434 681 E N 7.298 127.438 120.200 -0.100 0.000 2.167 681 E HA 0.368 4.727 4.350 0.015 0.000 0.284 681 E C -0.368 176.116 176.600 -0.193 0.000 1.016 681 E CA -0.592 55.727 56.400 -0.134 0.000 0.817 681 E CB 1.699 31.341 29.700 -0.096 0.000 1.080 681 E HN 0.490 nan 8.360 nan 0.000 0.397 682 L N 4.222 125.270 121.223 -0.291 0.000 2.467 682 L HA 0.131 4.480 4.340 0.015 0.000 0.270 682 L C -1.840 174.860 176.870 -0.283 0.000 1.205 682 L CA -1.420 53.148 54.840 -0.453 0.000 0.828 682 L CB 0.071 41.791 42.059 -0.566 0.000 1.101 682 L HN 0.179 nan 8.230 nan 0.000 0.479 683 P HA 0.013 nan 4.420 nan 0.000 0.273 683 P C -0.578 176.674 177.300 -0.080 0.000 1.250 683 P CA -0.420 62.633 63.100 -0.079 0.000 0.793 683 P CB 0.381 32.103 31.700 0.037 0.000 1.011 684 E N 0.890 121.070 120.200 -0.035 0.000 2.413 684 E HA 0.056 4.414 4.350 0.015 0.000 0.263 684 E C -0.917 175.682 176.600 -0.002 0.000 1.015 684 E CA -0.016 56.365 56.400 -0.030 0.000 0.916 684 E CB 0.185 29.875 29.700 -0.017 0.000 0.947 684 E HN 0.257 nan 8.360 nan 0.000 0.440 685 L N 5.934 127.153 121.223 -0.008 0.000 2.343 685 L HA 0.387 4.735 4.340 0.015 0.000 0.275 685 L C -1.955 174.935 176.870 0.033 0.000 1.056 685 L CA -1.914 52.944 54.840 0.029 0.000 0.804 685 L CB 1.364 43.437 42.059 0.023 0.000 1.203 685 L HN 0.538 nan 8.230 nan 0.000 0.440 686 P HA 0.114 nan 4.420 nan 0.000 0.272 686 P C -1.557 175.762 177.300 0.032 0.000 1.240 686 P CA -0.520 62.604 63.100 0.039 0.000 0.791 686 P CB 0.427 32.154 31.700 0.045 0.000 0.978 687 Q N 1.435 121.249 119.800 0.024 0.000 2.372 687 Q HA 0.387 4.736 4.340 0.015 0.000 0.259 687 Q C -2.251 173.762 176.000 0.022 0.000 0.993 687 Q CA -1.602 54.212 55.803 0.019 0.000 0.854 687 Q CB 1.141 29.885 28.738 0.011 0.000 1.231 687 Q HN 0.344 nan 8.270 nan 0.000 0.462 688 P HA 0.306 nan 4.420 nan 0.000 0.262 688 P C -0.499 176.815 177.300 0.023 0.000 1.579 688 P CA -0.524 62.593 63.100 0.027 0.000 1.111 688 P CB 0.820 32.542 31.700 0.037 0.000 1.386 689 E N -0.095 120.116 120.200 0.019 0.000 2.511 689 E HA 0.000 4.359 4.350 0.015 0.000 0.196 689 E C 0.720 177.333 176.600 0.021 0.000 1.066 689 E CA 0.026 56.437 56.400 0.017 0.000 0.871 689 E CB 0.017 29.725 29.700 0.014 0.000 0.863 689 E HN 0.250 nan 8.360 nan 0.000 0.520 690 S N 1.204 116.919 115.700 0.025 0.000 2.498 690 S HA 0.350 4.829 4.470 0.015 0.000 0.281 690 S C 0.404 175.025 174.600 0.035 0.000 1.265 690 S CA -0.465 57.753 58.200 0.030 0.000 1.071 690 S CB 0.174 63.393 63.200 0.032 0.000 0.894 690 S HN 0.353 nan 8.310 nan 0.000 0.491 691 A N 4.202 127.044 122.820 0.037 0.000 2.547 691 A HA 0.556 4.885 4.320 0.015 0.000 0.233 691 A C 1.059 178.675 177.584 0.053 0.000 1.067 691 A CA 0.508 52.570 52.037 0.041 0.000 0.763 691 A CB -0.792 18.234 19.000 0.044 0.000 1.007 691 A HN 2.010 nan 8.150 nan 0.000 0.506 692 G N -0.509 108.323 108.800 0.054 0.000 2.347 692 G HA2 0.431 4.399 3.960 0.015 0.000 0.477 692 G HA3 0.431 4.399 3.960 0.015 0.000 0.477 692 G C -1.010 173.923 174.900 0.054 0.000 1.349 692 G CA -0.109 45.036 45.100 0.074 0.000 1.000 692 G HN 1.233 nan 8.290 nan 0.000 0.605 693 Q N -0.241 119.609 119.800 0.082 0.000 2.290 693 Q HA 0.722 5.070 4.340 0.015 0.000 0.259 693 Q C -0.210 175.833 176.000 0.073 0.000 0.941 693 Q CA -0.524 55.282 55.803 0.005 0.000 0.912 693 Q CB 1.211 29.927 28.738 -0.037 0.000 1.244 693 Q HN 0.581 nan 8.270 nan 0.000 0.441 694 L N 4.519 125.723 121.223 -0.032 0.000 2.326 694 L HA 0.478 4.826 4.340 0.015 0.000 0.278 694 L C -0.893 175.967 176.870 -0.016 0.000 1.092 694 L CA -0.400 54.474 54.840 0.056 0.000 0.810 694 L CB 0.697 42.767 42.059 0.020 0.000 1.153 694 L HN 0.712 nan 8.230 nan 0.000 0.439 695 W N 4.265 125.624 121.300 0.099 0.000 2.819 695 W HA 0.499 5.168 4.660 0.014 0.000 0.337 695 W C -0.897 175.727 176.519 0.175 0.000 1.077 695 W CA -0.538 56.887 57.345 0.133 0.000 1.226 695 W CB 1.747 31.303 29.460 0.160 0.000 1.419 695 W HN 0.109 nan 8.180 nan 0.000 0.502 696 L N 2.922 124.428 121.223 0.470 0.000 2.313 696 L HA 0.766 5.115 4.340 0.015 0.000 0.283 696 L C -0.433 176.744 176.870 0.512 0.000 1.013 696 L CA 0.089 55.195 54.840 0.443 0.000 0.816 696 L CB 1.358 43.640 42.059 0.371 0.000 1.236 696 L HN 0.323 nan 8.230 nan 0.000 0.419 697 T N 5.179 119.978 114.554 0.409 0.000 2.824 697 T HA 0.693 5.052 4.350 0.015 0.000 0.282 697 T C -0.636 174.256 174.700 0.320 0.000 0.993 697 T CA -0.415 61.877 62.100 0.320 0.000 0.967 697 T CB 1.508 70.501 68.868 0.209 0.000 0.960 697 T HN 0.614 nan 8.240 nan 0.000 0.441 698 V N 1.531 121.600 119.914 0.258 0.000 2.864 698 V HA 0.958 5.086 4.120 0.015 0.000 0.314 698 V C -0.771 175.421 176.094 0.163 0.000 1.073 698 V CA -1.415 61.020 62.300 0.226 0.000 0.956 698 V CB 2.028 33.951 31.823 0.166 0.000 1.023 698 V HN 1.041 nan 8.190 nan 0.000 0.435 699 R N 1.375 122.005 120.500 0.217 0.000 2.668 699 R HA 0.829 5.177 4.340 0.015 0.000 0.272 699 R C -2.194 174.287 176.300 0.301 0.000 1.019 699 R CA -0.818 55.442 56.100 0.266 0.000 0.894 699 R CB 2.164 32.591 30.300 0.212 0.000 1.228 699 R HN 0.546 nan 8.270 nan 0.000 0.460 700 V N 2.832 122.947 119.914 0.336 0.000 2.370 700 V HA 0.396 4.525 4.120 0.015 0.000 0.279 700 V C -0.278 175.977 176.094 0.269 0.000 1.029 700 V CA -0.605 61.865 62.300 0.283 0.000 0.870 700 V CB 1.464 33.447 31.823 0.267 0.000 0.984 700 V HN 0.548 nan 8.190 nan 0.000 0.451 701 V N 5.096 125.165 119.914 0.258 0.000 2.555 701 V HA 0.426 4.555 4.120 0.015 0.000 0.302 701 V C -0.267 175.948 176.094 0.202 0.000 1.038 701 V CA -0.749 61.686 62.300 0.224 0.000 0.887 701 V CB 1.962 33.970 31.823 0.308 0.000 0.991 701 V HN 0.888 nan 8.190 nan 0.000 0.434 702 Q N 5.592 125.506 119.800 0.191 0.000 2.368 702 Q HA 0.295 4.644 4.340 0.015 0.000 0.256 702 Q C -1.751 174.314 176.000 0.109 0.000 0.980 702 Q CA -1.804 54.096 55.803 0.161 0.000 0.887 702 Q CB 2.147 30.993 28.738 0.181 0.000 1.221 702 Q HN 0.478 nan 8.270 nan 0.000 0.458 703 P HA -0.141 nan 4.420 nan 0.000 0.220 703 P C -0.520 176.800 177.300 0.033 0.000 1.152 703 P CA 1.006 64.147 63.100 0.068 0.000 0.812 703 P CB 0.404 32.141 31.700 0.062 0.000 0.792 704 N N -0.323 118.386 118.700 0.016 0.000 2.443 704 N HA 0.435 5.184 4.740 0.015 0.000 0.295 704 N C -0.274 175.199 175.510 -0.062 0.000 1.076 704 N CA -0.649 52.391 53.050 -0.016 0.000 0.919 704 N CB 1.033 39.510 38.487 -0.016 0.000 1.176 704 N HN -0.034 nan 8.380 nan 0.000 0.487 705 A N 0.851 123.625 122.820 -0.078 0.000 2.425 705 A HA 0.448 4.777 4.320 0.015 0.000 0.242 705 A C 0.591 178.061 177.584 -0.191 0.000 1.077 705 A CA -0.020 51.933 52.037 -0.141 0.000 0.781 705 A CB -0.023 18.919 19.000 -0.097 0.000 1.020 705 A HN 0.709 nan 8.150 nan 0.000 0.494 706 T N -2.788 111.566 114.554 -0.332 0.000 2.773 706 T HA 0.628 4.987 4.350 0.015 0.000 0.278 706 T C 0.961 175.485 174.700 -0.292 0.000 1.011 706 T CA 0.029 61.910 62.100 -0.364 0.000 1.014 706 T CB 1.153 69.581 68.868 -0.734 0.000 1.293 706 T HN 1.361 nan 8.240 nan 0.000 0.554 707 A N -0.082 122.655 122.820 -0.139 0.000 2.121 707 A HA 0.108 4.437 4.320 0.015 0.000 0.218 707 A C 1.570 179.272 177.584 0.198 0.000 1.154 707 A CA 1.034 53.103 52.037 0.053 0.000 0.679 707 A CB -0.876 18.200 19.000 0.126 0.000 0.795 707 A HN 0.912 nan 8.150 nan 0.000 0.458 708 W N -0.817 120.552 121.300 0.116 0.000 2.702 708 W HA 0.432 5.101 4.660 0.016 0.000 0.369 708 W C -0.226 176.263 176.519 -0.050 0.000 0.987 708 W CA 0.427 57.806 57.345 0.057 0.000 1.702 708 W CB -1.066 28.411 29.460 0.029 0.000 1.138 708 W HN 0.400 nan 8.180 nan 0.000 0.552 709 S N -0.171 115.106 115.700 -0.705 0.000 2.570 709 S HA 0.457 4.936 4.470 0.015 0.000 0.270 709 S C -0.949 173.431 174.600 -0.367 0.000 1.149 709 S CA -0.715 57.101 58.200 -0.640 0.000 0.837 709 S CB 2.798 65.228 63.200 -1.284 0.000 1.124 709 S HN 0.113 nan 8.310 nan 0.000 0.465 710 E N 0.522 120.622 120.200 -0.167 0.000 2.314 710 E HA 0.584 4.943 4.350 0.015 0.000 0.262 710 E C 0.272 176.847 176.600 -0.041 0.000 1.093 710 E CA -0.803 55.554 56.400 -0.073 0.000 0.908 710 E CB 1.243 30.944 29.700 0.002 0.000 1.091 710 E HN 0.870 nan 8.360 nan 0.000 0.425 711 A N 0.501 123.305 122.820 -0.027 0.000 2.498 711 A HA 0.386 4.714 4.320 0.015 0.000 0.239 711 A C 1.108 178.713 177.584 0.035 0.000 1.068 711 A CA 0.770 52.806 52.037 -0.001 0.000 0.766 711 A CB -0.383 18.616 19.000 -0.002 0.000 1.003 711 A HN 0.803 nan 8.150 nan 0.000 0.497 712 G N 0.392 109.228 108.800 0.059 0.000 2.176 712 G HA2 -0.256 3.713 3.960 0.015 0.000 0.253 712 G HA3 -0.256 3.713 3.960 0.015 0.000 0.253 712 G C 0.265 175.212 174.900 0.078 0.000 0.979 712 G CA 0.738 45.873 45.100 0.057 0.000 0.641 712 G HN 1.801 nan 8.290 nan 0.000 0.530 713 H N 0.605 119.689 119.070 0.024 0.000 3.094 713 H HA 0.403 4.968 4.556 0.014 0.000 0.320 713 H C 0.711 176.117 175.328 0.130 0.000 1.000 713 H CA 0.423 56.509 56.048 0.063 0.000 1.413 713 H CB 0.158 29.939 29.762 0.032 0.000 1.405 713 H HN 0.308 nan 8.280 nan 0.000 0.586 714 I N 4.669 124.969 120.570 -0.449 0.000 2.315 714 I HA 0.034 4.212 4.170 0.015 0.000 0.291 714 I C 0.882 176.835 176.117 -0.273 0.000 1.006 714 I CA 0.071 61.248 61.300 -0.205 0.000 1.265 714 I CB 1.424 39.374 38.000 -0.083 0.000 1.387 714 I HN 0.790 nan 8.210 nan 0.000 0.475 715 S N 4.276 120.054 115.700 0.130 0.000 2.511 715 S HA 0.581 5.060 4.470 0.015 0.000 0.214 715 S C 0.408 175.278 174.600 0.451 0.000 0.997 715 S CA -0.048 58.379 58.200 0.377 0.000 0.908 715 S CB 0.538 64.080 63.200 0.570 0.000 0.803 715 S HN 0.707 nan 8.310 nan 0.000 0.504 716 A N 0.510 123.634 122.820 0.506 0.000 2.599 716 A HA 0.642 4.971 4.320 0.015 0.000 0.294 716 A C -1.821 176.124 177.584 0.602 0.000 1.055 716 A CA -0.913 51.390 52.037 0.445 0.000 0.683 716 A CB 0.291 19.617 19.000 0.544 0.000 1.278 716 A HN 0.913 nan 8.150 nan 0.000 0.412 717 W N -0.115 121.363 121.300 0.297 0.000 3.074 717 W HA 0.828 5.497 4.660 0.016 0.000 0.332 717 W C -1.146 175.416 176.519 0.072 0.000 1.253 717 W CA -0.675 56.740 57.345 0.117 0.000 1.180 717 W CB 1.313 30.803 29.460 0.051 0.000 1.445 717 W HN 0.976 nan 8.180 nan 0.000 0.573 718 Q N 1.156 120.970 119.800 0.024 0.000 2.479 718 Q HA 0.409 4.757 4.340 0.015 0.000 0.276 718 Q C -1.615 174.175 176.000 -0.349 0.000 0.989 718 Q CA -0.461 55.181 55.803 -0.268 0.000 0.864 718 Q CB 2.424 30.755 28.738 -0.679 0.000 1.444 718 Q HN 0.639 nan 8.270 nan 0.000 0.388 719 Q N 1.466 121.012 119.800 -0.424 0.000 2.423 719 Q HA 0.638 4.987 4.340 0.015 0.000 0.278 719 Q C -1.134 174.712 176.000 -0.257 0.000 1.097 719 Q CA -0.695 55.047 55.803 -0.102 0.000 0.809 719 Q CB 2.409 31.289 28.738 0.236 0.000 1.391 719 Q HN 0.594 nan 8.270 nan 0.000 0.428 720 W N 0.948 122.422 121.300 0.291 0.000 3.107 720 W HA 0.448 5.116 4.660 0.014 0.000 0.331 720 W C -0.409 176.046 176.519 -0.107 0.000 1.204 720 W CA -0.648 56.768 57.345 0.118 0.000 1.184 720 W CB 1.775 31.260 29.460 0.042 0.000 1.421 720 W HN 0.428 nan 8.180 nan 0.000 0.544 721 R N 1.763 122.093 120.500 -0.283 0.000 2.340 721 R HA 0.444 4.793 4.340 0.015 0.000 0.300 721 R C 0.578 176.705 176.300 -0.288 0.000 1.069 721 R CA -0.193 55.434 56.100 -0.787 0.000 0.984 721 R CB 1.154 30.930 30.300 -0.873 0.000 1.003 721 R HN 0.295 nan 8.270 nan 0.000 0.459 722 L N 1.433 122.514 121.223 -0.237 0.000 2.718 722 L HA 0.501 4.849 4.340 0.015 0.000 0.166 722 L C 0.776 177.562 176.870 -0.140 0.000 1.893 722 L CA -0.896 53.870 54.840 -0.124 0.000 2.845 722 L CB -0.254 41.771 42.059 -0.056 0.000 2.993 722 L HN 0.589 nan 8.230 nan 0.000 0.684 723 A N 0.191 122.957 122.820 -0.091 0.000 2.448 723 A HA 0.206 4.535 4.320 0.015 0.000 0.239 723 A C -0.274 177.255 177.584 -0.091 0.000 1.080 723 A CA 0.235 52.225 52.037 -0.078 0.000 0.779 723 A CB 0.151 19.123 19.000 -0.045 0.000 1.026 723 A HN 0.615 nan 8.150 nan 0.000 0.499 724 E N 0.614 120.770 120.200 -0.074 0.000 2.256 724 E HA 0.306 4.665 4.350 0.015 0.000 0.268 724 E C -1.507 175.077 176.600 -0.027 0.000 0.877 724 E CA -0.720 55.643 56.400 -0.062 0.000 0.757 724 E CB 0.927 30.582 29.700 -0.075 0.000 1.183 724 E HN 0.668 nan 8.360 nan 0.000 0.418 725 N N 5.110 123.806 118.700 -0.006 0.000 2.546 725 N HA 0.263 5.011 4.740 0.015 0.000 0.238 725 N C -0.445 175.075 175.510 0.016 0.000 0.984 725 N CA -0.302 52.751 53.050 0.006 0.000 0.935 725 N CB 1.009 39.505 38.487 0.015 0.000 1.122 725 N HN 0.486 nan 8.380 nan 0.000 0.510 726 L N 0.704 121.935 121.223 0.014 0.000 2.485 726 L HA 0.060 4.408 4.340 0.015 0.000 0.275 726 L C 1.290 178.177 176.870 0.029 0.000 1.207 726 L CA 0.188 55.042 54.840 0.023 0.000 0.855 726 L CB 0.390 42.461 42.059 0.021 0.000 1.114 726 L HN 0.371 nan 8.230 nan 0.000 0.485 727 S N 1.661 117.384 115.700 0.038 0.000 2.505 727 S HA 0.240 4.718 4.470 0.015 0.000 0.276 727 S C 0.507 175.127 174.600 0.034 0.000 1.274 727 S CA -0.695 57.528 58.200 0.038 0.000 1.053 727 S CB 0.995 64.224 63.200 0.047 0.000 0.919 727 S HN 0.484 nan 8.310 nan 0.000 0.490 728 V N 2.769 122.700 119.914 0.029 0.000 3.477 728 V HA 0.346 4.474 4.120 0.015 0.000 0.297 728 V C 0.613 176.722 176.094 0.025 0.000 1.433 728 V CA 0.347 62.662 62.300 0.026 0.000 1.052 728 V CB -0.512 31.323 31.823 0.021 0.000 0.895 728 V HN 0.866 nan 8.190 nan 0.000 0.438 729 T N 0.482 115.053 114.554 0.027 0.000 2.907 729 T HA 0.607 4.965 4.350 0.015 0.000 0.298 729 T C -0.305 174.412 174.700 0.028 0.000 1.017 729 T CA -0.261 61.854 62.100 0.026 0.000 1.118 729 T CB 1.393 70.277 68.868 0.026 0.000 0.948 729 T HN 0.291 nan 8.240 nan 0.000 0.531 730 L N 4.669 125.905 121.223 0.023 0.000 2.305 730 L HA 0.389 4.737 4.340 0.015 0.000 0.281 730 L C -1.383 175.500 176.870 0.022 0.000 1.085 730 L CA -1.787 53.066 54.840 0.021 0.000 0.813 730 L CB 0.382 42.449 42.059 0.014 0.000 1.157 730 L HN 0.660 nan 8.230 nan 0.000 0.436 731 P HA 0.082 nan 4.420 nan 0.000 0.265 731 P C -0.656 176.654 177.300 0.015 0.000 1.187 731 P CA -0.444 62.674 63.100 0.030 0.000 0.766 731 P CB 0.583 32.303 31.700 0.034 0.000 0.820 732 A N 2.758 125.590 122.820 0.020 0.000 2.498 732 A HA 0.446 4.775 4.320 0.015 0.000 0.239 732 A C 0.861 178.414 177.584 -0.051 0.000 1.068 732 A CA 0.020 52.059 52.037 0.004 0.000 0.766 732 A CB -0.480 18.541 19.000 0.034 0.000 1.003 732 A HN 0.793 nan 8.150 nan 0.000 0.497 733 A N 2.252 125.028 122.820 -0.074 0.000 2.586 733 A HA 0.415 4.743 4.320 0.015 0.000 0.231 733 A C 0.915 178.279 177.584 -0.367 0.000 1.055 733 A CA 0.858 52.808 52.037 -0.146 0.000 0.756 733 A CB -0.294 18.648 19.000 -0.096 0.000 0.988 733 A HN 2.099 nan 8.150 nan 0.000 0.509 734 S N 1.015 116.495 115.700 -0.366 0.000 2.475 734 S HA 0.505 4.983 4.470 0.015 0.000 0.298 734 S C 0.739 175.087 174.600 -0.420 0.000 1.119 734 S CA -0.358 57.443 58.200 -0.666 0.000 1.085 734 S CB 0.600 63.599 63.200 -0.335 0.000 1.028 734 S HN 0.734 nan 8.310 nan 0.000 0.489 735 H N 3.535 122.621 119.070 0.026 0.000 2.319 735 H HA 0.242 4.807 4.556 0.014 0.000 0.299 735 H C 1.188 176.533 175.328 0.028 0.000 1.092 735 H CA 1.460 57.522 56.048 0.024 0.000 1.302 735 H CB -0.535 29.241 29.762 0.023 0.000 1.373 735 H HN 0.824 nan 8.280 nan 0.000 0.497 736 A N 0.334 123.254 122.820 0.167 0.000 2.616 736 A HA 0.652 4.981 4.320 0.015 0.000 0.253 736 A C -1.005 176.632 177.584 0.087 0.000 1.239 736 A CA -0.548 51.561 52.037 0.120 0.000 0.914 736 A CB 1.077 20.159 19.000 0.136 0.000 1.454 736 A HN 0.161 nan 8.150 nan 0.000 0.460 737 I N 0.051 120.684 120.570 0.106 0.000 2.548 737 I HA 0.542 4.721 4.170 0.015 0.000 0.287 737 I C -2.730 173.489 176.117 0.170 0.000 1.103 737 I CA -2.486 58.879 61.300 0.108 0.000 1.049 737 I CB 1.955 40.010 38.000 0.090 0.000 1.232 737 I HN 0.311 nan 8.210 nan 0.000 0.429 738 P HA 0.327 nan 4.420 nan 0.000 0.276 738 P C -1.140 176.314 177.300 0.257 0.000 1.244 738 P CA -0.058 63.151 63.100 0.183 0.000 0.801 738 P CB 0.512 32.274 31.700 0.103 0.000 1.006 739 H N 0.423 119.532 119.070 0.066 0.000 2.492 739 H HA 0.397 4.962 4.556 0.014 0.000 0.345 739 H C -0.637 174.723 175.328 0.053 0.000 1.136 739 H CA -0.916 55.158 56.048 0.044 0.000 1.202 739 H CB 1.819 31.607 29.762 0.044 0.000 1.524 739 H HN 0.263 nan 8.280 nan 0.000 0.506 740 L N 2.369 123.630 121.223 0.063 0.000 2.325 740 L HA 0.322 4.671 4.340 0.015 0.000 0.279 740 L C -0.392 176.527 176.870 0.082 0.000 1.054 740 L CA 0.022 54.899 54.840 0.060 0.000 0.804 740 L CB 1.662 43.700 42.059 -0.035 0.000 1.200 740 L HN 0.502 nan 8.230 nan 0.000 0.436 741 T N 3.283 117.914 114.554 0.129 0.000 2.841 741 T HA 0.592 4.950 4.350 0.015 0.000 0.285 741 T C -0.683 174.127 174.700 0.183 0.000 0.991 741 T CA -0.352 61.825 62.100 0.128 0.000 0.966 741 T CB 1.285 70.220 68.868 0.112 0.000 0.962 741 T HN 0.723 nan 8.240 nan 0.000 0.438 742 T N 2.501 117.155 114.554 0.166 0.000 2.887 742 T HA 0.785 5.144 4.350 0.015 0.000 0.288 742 T C -0.368 174.394 174.700 0.103 0.000 1.021 742 T CA -0.768 61.465 62.100 0.222 0.000 1.000 742 T CB 1.573 70.594 68.868 0.255 0.000 1.034 742 T HN 0.697 nan 8.240 nan 0.000 0.467 743 S N 0.499 116.221 115.700 0.037 0.000 2.651 743 S HA 0.459 4.938 4.470 0.015 0.000 0.279 743 S C 0.792 175.349 174.600 -0.071 0.000 1.148 743 S CA -0.837 57.359 58.200 -0.006 0.000 0.837 743 S CB 1.833 65.034 63.200 0.002 0.000 1.138 743 S HN 0.740 nan 8.310 nan 0.000 0.478 744 E N -0.391 119.774 120.200 -0.059 0.000 2.153 744 E HA -0.163 4.196 4.350 0.015 0.000 0.194 744 E C 1.520 178.039 176.600 -0.135 0.000 0.988 744 E CA 1.273 57.620 56.400 -0.088 0.000 0.811 744 E CB -0.124 29.546 29.700 -0.050 0.000 0.746 744 E HN 0.646 nan 8.360 nan 0.000 0.466 745 M N 0.351 119.890 119.600 -0.101 0.000 2.476 745 M HA 0.089 4.578 4.480 0.015 0.000 0.262 745 M C -0.489 175.743 176.300 -0.114 0.000 1.111 745 M CA 0.811 56.058 55.300 -0.089 0.000 1.127 745 M CB 0.754 33.334 32.600 -0.033 0.000 1.376 745 M HN -0.155 nan 8.290 nan 0.000 0.465 746 D N -1.785 118.531 120.400 -0.139 0.000 2.599 746 D HA 0.272 4.920 4.640 0.015 0.000 0.252 746 D C -1.544 174.696 176.300 -0.100 0.000 1.232 746 D CA -0.345 53.600 54.000 -0.093 0.000 0.819 746 D CB 1.546 42.379 40.800 0.055 0.000 1.401 746 D HN -0.025 nan 8.370 nan 0.000 0.429 747 F N 1.015 121.055 119.950 0.150 0.000 2.460 747 F HA 0.350 4.885 4.527 0.014 0.000 0.341 747 F C -0.016 175.925 175.800 0.236 0.000 1.130 747 F CA -0.792 57.295 58.000 0.145 0.000 0.962 747 F CB 1.362 40.412 39.000 0.084 0.000 1.171 747 F HN 0.101 nan 8.300 nan 0.000 0.436 748 C N 4.768 124.291 119.300 0.371 0.000 2.329 748 C HA 0.738 5.206 4.460 0.015 0.000 0.329 748 C C -0.225 174.946 174.990 0.302 0.000 1.275 748 C CA -0.846 58.361 59.018 0.316 0.000 1.726 748 C CB 0.358 28.214 27.740 0.193 0.000 2.291 748 C HN 0.513 nan 8.230 nan 0.000 0.514 749 I N 2.437 123.237 120.570 0.383 0.000 2.465 749 I HA 0.504 4.683 4.170 0.015 0.000 0.291 749 I C -0.106 176.286 176.117 0.459 0.000 1.014 749 I CA -0.166 61.352 61.300 0.363 0.000 1.093 749 I CB 1.445 39.644 38.000 0.331 0.000 1.267 749 I HN 0.692 nan 8.210 nan 0.000 0.431 750 E N 5.778 126.181 120.200 0.339 0.000 2.266 750 E HA 0.769 5.128 4.350 0.015 0.000 0.268 750 E C -1.893 174.871 176.600 0.273 0.000 0.879 750 E CA -0.824 55.737 56.400 0.268 0.000 0.762 750 E CB 2.297 32.057 29.700 0.100 0.000 1.199 750 E HN 0.546 nan 8.360 nan 0.000 0.422 751 L N 4.706 126.091 121.223 0.271 0.000 2.596 751 L HA 0.504 4.853 4.340 0.015 0.000 0.265 751 L C 0.171 177.110 176.870 0.115 0.000 0.962 751 L CA 0.614 55.589 54.840 0.225 0.000 0.891 751 L CB 1.369 43.626 42.059 0.331 0.000 1.248 751 L HN 0.831 nan 8.230 nan 0.000 0.410 752 G N 4.212 113.038 108.800 0.043 0.000 2.622 752 G HA2 -0.435 3.533 3.960 0.015 0.000 0.307 752 G HA3 -0.435 3.533 3.960 0.015 0.000 0.307 752 G C 0.516 175.398 174.900 -0.031 0.000 1.226 752 G CA 0.676 45.777 45.100 0.001 0.000 0.997 752 G HN 1.188 nan 8.290 nan 0.000 0.551 753 N N 1.346 120.019 118.700 -0.044 0.000 2.383 753 N HA 0.117 4.866 4.740 0.015 0.000 0.192 753 N C 0.429 175.877 175.510 -0.103 0.000 1.141 753 N CA 0.870 53.878 53.050 -0.070 0.000 0.851 753 N CB 0.197 38.645 38.487 -0.065 0.000 0.976 753 N HN 0.727 nan 8.380 nan 0.000 0.465 754 K N 0.649 120.975 120.400 -0.122 0.000 2.164 754 K HA 0.474 4.802 4.320 0.015 0.000 0.258 754 K C -0.141 176.266 176.600 -0.323 0.000 0.951 754 K CA -0.692 55.411 56.287 -0.307 0.000 0.844 754 K CB 1.740 33.968 32.500 -0.453 0.000 1.099 754 K HN 0.094 nan 8.250 nan 0.000 0.435 755 R N 1.916 122.158 120.500 -0.432 0.000 2.725 755 R HA 0.453 4.801 4.340 0.015 0.000 0.277 755 R C -1.122 175.093 176.300 -0.142 0.000 0.987 755 R CA -0.951 55.079 56.100 -0.117 0.000 0.901 755 R CB 1.772 32.041 30.300 -0.052 0.000 1.207 755 R HN 0.557 nan 8.270 nan 0.000 0.463 756 W N 1.678 123.112 121.300 0.224 0.000 2.839 756 W HA 0.328 4.996 4.660 0.014 0.000 0.334 756 W C -0.544 176.078 176.519 0.172 0.000 1.064 756 W CA -0.568 56.843 57.345 0.110 0.000 1.236 756 W CB 2.552 32.055 29.460 0.072 0.000 1.405 756 W HN 0.496 nan 8.180 nan 0.000 0.478 757 Q N 2.641 122.581 119.800 0.232 0.000 2.330 757 Q HA 0.470 4.818 4.340 0.015 0.000 0.269 757 Q C -1.837 174.125 176.000 -0.064 0.000 1.022 757 Q CA -0.478 55.457 55.803 0.221 0.000 0.796 757 Q CB 1.429 30.368 28.738 0.335 0.000 1.271 757 Q HN 0.347 nan 8.270 nan 0.000 0.450 758 F N 2.760 122.807 119.950 0.162 0.000 2.426 758 F HA 0.312 4.848 4.527 0.014 0.000 0.348 758 F C 0.512 176.348 175.800 0.061 0.000 1.124 758 F CA -0.883 57.176 58.000 0.099 0.000 1.008 758 F CB 1.334 40.401 39.000 0.111 0.000 1.139 758 F HN 0.494 nan 8.300 nan 0.000 0.452 759 N N 3.713 122.525 118.700 0.187 0.000 2.431 759 N HA 0.072 4.820 4.740 0.015 0.000 0.265 759 N C 0.869 176.400 175.510 0.036 0.000 1.184 759 N CA 0.106 53.214 53.050 0.096 0.000 0.943 759 N CB 0.687 39.238 38.487 0.107 0.000 1.080 759 N HN 0.694 nan 8.380 nan 0.000 0.477 760 R N 2.333 122.783 120.500 -0.085 0.000 2.276 760 R HA -0.062 4.286 4.340 0.015 0.000 0.203 760 R C 1.630 177.865 176.300 -0.107 0.000 1.017 760 R CA 0.598 56.594 56.100 -0.172 0.000 1.010 760 R CB 0.218 30.298 30.300 -0.367 0.000 0.900 760 R HN 0.673 nan 8.270 nan 0.000 0.469 761 Q N 0.426 120.194 119.800 -0.054 0.000 2.163 761 Q HA -0.074 4.275 4.340 0.015 0.000 0.198 761 Q C 1.887 177.875 176.000 -0.019 0.000 0.954 761 Q CA 1.563 57.345 55.803 -0.036 0.000 0.851 761 Q CB 0.288 29.023 28.738 -0.006 0.000 0.928 761 Q HN 0.289 nan 8.270 nan 0.000 0.459 762 S N -1.705 114.010 115.700 0.025 0.000 2.439 762 S HA 0.180 4.659 4.470 0.015 0.000 0.224 762 S C 1.431 175.958 174.600 -0.121 0.000 1.029 762 S CA 0.646 58.882 58.200 0.060 0.000 0.946 762 S CB 0.381 63.731 63.200 0.249 0.000 0.797 762 S HN 0.639 nan 8.310 nan 0.000 0.504 763 G N 0.397 109.138 108.800 -0.098 0.000 2.136 763 G HA2 -0.199 3.769 3.960 0.015 0.000 0.242 763 G HA3 -0.199 3.769 3.960 0.015 0.000 0.242 763 G C -0.145 174.678 174.900 -0.128 0.000 0.989 763 G CA 0.196 45.215 45.100 -0.136 0.000 0.682 763 G HN 0.528 nan 8.290 nan 0.000 0.522 764 F N -1.081 119.054 119.950 0.309 0.000 2.538 764 F HA 0.678 5.214 4.527 0.014 0.000 0.325 764 F C 0.489 176.338 175.800 0.082 0.000 1.066 764 F CA -1.487 56.662 58.000 0.247 0.000 0.946 764 F CB 1.458 40.554 39.000 0.159 0.000 1.199 764 F HN 0.030 nan 8.300 nan 0.000 0.473 765 L N 2.151 123.421 121.223 0.079 0.000 2.562 765 L HA 0.128 4.477 4.340 0.015 0.000 0.271 765 L C 0.936 177.694 176.870 -0.186 0.000 1.167 765 L CA 0.666 55.172 54.840 -0.557 0.000 0.917 765 L CB 0.461 42.181 42.059 -0.564 0.000 1.187 765 L HN 0.745 nan 8.230 nan 0.000 0.482 766 S N 2.499 118.082 115.700 -0.195 0.000 2.520 766 S HA 0.319 4.797 4.470 0.015 0.000 0.219 766 S C 0.432 174.906 174.600 -0.209 0.000 1.028 766 S CA -0.112 58.026 58.200 -0.104 0.000 0.921 766 S CB 0.192 63.389 63.200 -0.006 0.000 0.844 766 S HN 0.695 nan 8.310 nan 0.000 0.495 767 Q N 0.207 119.820 119.800 -0.312 0.000 2.472 767 Q HA 0.687 5.036 4.340 0.015 0.000 0.281 767 Q C -2.019 173.605 176.000 -0.626 0.000 0.997 767 Q CA -0.320 55.156 55.803 -0.545 0.000 0.828 767 Q CB 1.776 30.079 28.738 -0.725 0.000 1.443 767 Q HN 0.476 nan 8.270 nan 0.000 0.390 768 M N 1.442 120.551 119.600 -0.820 0.000 2.484 768 M HA 0.641 5.130 4.480 0.015 0.000 0.289 768 M C -1.361 174.505 176.300 -0.724 0.000 1.206 768 M CA -0.507 54.400 55.300 -0.655 0.000 0.892 768 M CB 2.428 34.648 32.600 -0.634 0.000 1.712 768 M HN 0.457 nan 8.290 nan 0.000 0.462 769 W N 2.531 123.601 121.300 -0.383 0.000 2.915 769 W HA 0.675 5.344 4.660 0.015 0.000 0.337 769 W C -1.489 174.835 176.519 -0.326 0.000 1.102 769 W CA -0.685 56.492 57.345 -0.280 0.000 1.224 769 W CB 1.741 31.076 29.460 -0.209 0.000 1.416 769 W HN 0.494 nan 8.180 nan 0.000 0.503 770 I N 2.490 123.058 120.570 -0.003 0.000 2.410 770 I HA 0.479 4.657 4.170 0.015 0.000 0.286 770 I C 0.820 176.927 176.117 -0.016 0.000 1.009 770 I CA 0.228 61.483 61.300 -0.076 0.000 1.111 770 I CB 1.204 39.137 38.000 -0.112 0.000 1.262 770 I HN 0.719 nan 8.210 nan 0.000 0.443 771 G N 5.569 114.350 108.800 -0.032 0.000 2.566 771 G HA2 -0.331 3.638 3.960 0.015 0.000 0.280 771 G HA3 -0.331 3.638 3.960 0.015 0.000 0.280 771 G C 0.229 175.139 174.900 0.017 0.000 1.225 771 G CA 0.595 45.679 45.100 -0.026 0.000 0.966 771 G HN 0.779 nan 8.290 nan 0.000 0.560 772 D N 0.555 120.971 120.400 0.027 0.000 2.340 772 D HA 0.285 4.934 4.640 0.015 0.000 0.220 772 D C 0.949 177.369 176.300 0.199 0.000 1.039 772 D CA 0.838 54.884 54.000 0.077 0.000 0.866 772 D CB 0.242 41.057 40.800 0.025 0.000 0.913 772 D HN 0.663 nan 8.370 nan 0.000 0.523 773 K N 1.522 122.002 120.400 0.132 0.000 2.276 773 K HA 0.181 4.510 4.320 0.015 0.000 0.285 773 K C -0.304 176.288 176.600 -0.013 0.000 1.062 773 K CA -0.530 55.794 56.287 0.062 0.000 0.918 773 K CB 0.770 33.264 32.500 -0.009 0.000 1.055 773 K HN -0.229 nan 8.250 nan 0.000 0.477 774 K N 3.187 123.510 120.400 -0.129 0.000 2.326 774 K HA 0.045 4.374 4.320 0.015 0.000 0.275 774 K C 0.492 176.913 176.600 -0.299 0.000 1.018 774 K CA -0.291 55.727 56.287 -0.449 0.000 0.962 774 K CB 0.888 33.147 32.500 -0.401 0.000 0.953 774 K HN 0.621 nan 8.250 nan 0.000 0.475 775 Q N 1.399 120.984 119.800 -0.358 0.000 2.350 775 Q HA 0.179 4.528 4.340 0.015 0.000 0.225 775 Q C 0.062 175.984 176.000 -0.130 0.000 0.878 775 Q CA 0.436 56.147 55.803 -0.154 0.000 0.935 775 Q CB 0.576 29.260 28.738 -0.090 0.000 1.099 775 Q HN 0.499 nan 8.270 nan 0.000 0.527 776 L N 0.976 122.056 121.223 -0.238 0.000 2.346 776 L HA 0.386 4.734 4.340 0.015 0.000 0.276 776 L C 0.964 177.704 176.870 -0.217 0.000 1.006 776 L CA -0.369 54.348 54.840 -0.205 0.000 0.817 776 L CB 1.634 43.559 42.059 -0.223 0.000 1.272 776 L HN -0.067 nan 8.230 nan 0.000 0.421 777 L N 0.359 121.448 121.223 -0.223 0.000 2.408 777 L HA 0.216 4.565 4.340 0.015 0.000 0.215 777 L C 0.321 177.077 176.870 -0.190 0.000 1.081 777 L CA 0.706 55.422 54.840 -0.206 0.000 0.840 777 L CB 0.198 42.126 42.059 -0.218 0.000 1.002 777 L HN 0.600 nan 8.230 nan 0.000 0.468 778 T N -0.014 114.397 114.554 -0.238 0.000 2.912 778 T HA 0.425 4.784 4.350 0.015 0.000 0.299 778 T C -2.557 172.066 174.700 -0.129 0.000 1.052 778 T CA -1.156 60.850 62.100 -0.156 0.000 0.996 778 T CB 2.550 71.306 68.868 -0.186 0.000 1.070 778 T HN -0.265 nan 8.240 nan 0.000 0.465 779 P HA 0.201 nan 4.420 nan 0.000 0.270 779 P C -0.687 176.574 177.300 -0.065 0.000 1.223 779 P CA -0.721 62.346 63.100 -0.055 0.000 0.785 779 P CB 0.418 32.120 31.700 0.004 0.000 0.923 780 L N 3.201 124.421 121.223 -0.005 0.000 2.325 780 L HA 0.251 4.599 4.340 0.015 0.000 0.284 780 L C 0.130 176.956 176.870 -0.074 0.000 1.089 780 L CA 0.643 55.512 54.840 0.048 0.000 0.836 780 L CB -0.581 41.610 42.059 0.220 0.000 1.184 780 L HN 0.274 nan 8.230 nan 0.000 0.444 781 R N 2.930 123.275 120.500 -0.258 0.000 2.854 781 R HA 0.439 4.788 4.340 0.015 0.000 0.271 781 R C -0.943 175.194 176.300 -0.272 0.000 0.994 781 R CA -1.083 54.649 56.100 -0.613 0.000 0.945 781 R CB 1.343 31.185 30.300 -0.764 0.000 1.194 781 R HN 0.565 nan 8.270 nan 0.000 0.476 782 D N 1.178 121.491 120.400 -0.145 0.000 2.382 782 D HA 0.035 4.684 4.640 0.015 0.000 0.240 782 D C -0.384 175.543 176.300 -0.621 0.000 1.146 782 D CA 0.487 54.283 54.000 -0.340 0.000 0.897 782 D CB 0.690 41.261 40.800 -0.383 0.000 1.197 782 D HN 0.192 nan 8.370 nan 0.000 0.432 783 Q N 1.194 120.436 119.800 -0.930 0.000 2.285 783 Q HA 0.337 4.685 4.340 0.015 0.000 0.269 783 Q C -1.232 174.035 176.000 -1.221 0.000 1.030 783 Q CA -0.568 54.734 55.803 -0.836 0.000 0.788 783 Q CB 0.811 29.274 28.738 -0.458 0.000 1.266 783 Q HN 0.565 nan 8.270 nan 0.000 0.438 784 F N 0.612 120.176 119.950 -0.644 0.000 2.706 784 F HA 0.192 4.728 4.527 0.014 0.000 0.313 784 F C 0.666 176.030 175.800 -0.728 0.000 1.096 784 F CA -0.182 57.329 58.000 -0.815 0.000 1.219 784 F CB 1.507 39.715 39.000 -1.319 0.000 1.051 784 F HN 0.442 nan 8.300 nan 0.000 0.568 785 T N -0.702 113.550 114.554 -0.503 0.000 2.926 785 T HA 0.764 5.122 4.350 0.015 0.000 0.289 785 T C -0.521 173.944 174.700 -0.392 0.000 1.054 785 T CA -0.990 60.747 62.100 -0.604 0.000 1.015 785 T CB 2.619 71.072 68.868 -0.692 0.000 1.167 785 T HN 0.227 nan 8.240 nan 0.000 0.526 786 R N -0.226 120.100 120.500 -0.290 0.000 2.795 786 R HA 0.774 5.122 4.340 0.015 0.000 0.275 786 R C -0.837 175.517 176.300 0.090 0.000 0.981 786 R CA -1.245 54.800 56.100 -0.092 0.000 0.917 786 R CB 1.563 31.814 30.300 -0.080 0.000 1.202 786 R HN 0.806 nan 8.270 nan 0.000 0.469 787 A N 3.501 126.351 122.820 0.049 0.000 2.484 787 A HA 0.298 4.627 4.320 0.015 0.000 0.268 787 A C -1.998 175.636 177.584 0.084 0.000 1.114 787 A CA -1.400 50.657 52.037 0.035 0.000 0.780 787 A CB -0.412 18.555 19.000 -0.055 0.000 1.061 787 A HN 0.562 nan 8.150 nan 0.000 0.505 788 P HA 0.096 nan 4.420 nan 0.000 0.265 788 P C -0.202 177.198 177.300 0.167 0.000 1.193 788 P CA 0.379 63.624 63.100 0.241 0.000 0.765 788 P CB 0.400 32.280 31.700 0.301 0.000 0.823 789 L N 2.397 123.690 121.223 0.117 0.000 2.475 789 L HA 0.147 4.496 4.340 0.015 0.000 0.253 789 L C 1.870 178.753 176.870 0.022 0.000 1.198 789 L CA -0.433 54.412 54.840 0.010 0.000 0.814 789 L CB -0.098 41.897 42.059 -0.106 0.000 1.134 789 L HN 0.296 nan 8.230 nan 0.000 0.478 790 D N 0.338 120.690 120.400 -0.079 0.000 2.149 790 D HA -0.161 4.488 4.640 0.015 0.000 0.198 790 D C 1.612 177.832 176.300 -0.132 0.000 0.990 790 D CA 1.402 55.279 54.000 -0.205 0.000 0.839 790 D CB 0.023 40.617 40.800 -0.343 0.000 0.948 790 D HN 0.468 nan 8.370 nan 0.000 0.460 791 N N 0.850 119.488 118.700 -0.103 0.000 2.396 791 N HA -0.095 4.654 4.740 0.015 0.000 0.180 791 N C 1.105 176.625 175.510 0.018 0.000 1.028 791 N CA 0.628 53.646 53.050 -0.053 0.000 0.893 791 N CB -0.072 38.374 38.487 -0.069 0.000 0.967 791 N HN 0.231 nan 8.380 nan 0.000 0.440 792 D N 0.205 120.632 120.400 0.045 0.000 2.234 792 D HA 0.077 4.726 4.640 0.015 0.000 0.205 792 D C 1.924 178.274 176.300 0.084 0.000 0.962 792 D CA 0.358 54.427 54.000 0.115 0.000 0.855 792 D CB 0.265 41.208 40.800 0.239 0.000 0.951 792 D HN 0.311 nan 8.370 nan 0.000 0.500 793 I N 0.094 120.695 120.570 0.053 0.000 2.585 793 I HA 0.081 4.260 4.170 0.015 0.000 0.254 793 I C 1.764 177.900 176.117 0.032 0.000 1.129 793 I CA 0.546 61.865 61.300 0.031 0.000 1.455 793 I CB -0.257 37.735 38.000 -0.012 0.000 1.111 793 I HN 0.038 nan 8.210 nan 0.000 0.433 794 G N 1.494 110.324 108.800 0.050 0.000 2.574 794 G HA2 -0.348 3.621 3.960 0.015 0.000 0.286 794 G HA3 -0.348 3.621 3.960 0.015 0.000 0.286 794 G C 0.740 175.796 174.900 0.260 0.000 1.212 794 G CA 0.826 46.021 45.100 0.159 0.000 0.979 794 G HN 0.486 nan 8.290 nan 0.000 0.557 795 V N -1.791 118.223 119.914 0.167 0.000 3.623 795 V HA 0.531 4.660 4.120 0.015 0.000 0.271 795 V C 1.472 177.585 176.094 0.032 0.000 1.248 795 V CA 1.439 63.784 62.300 0.075 0.000 1.156 795 V CB -0.107 31.652 31.823 -0.106 0.000 0.870 795 V HN 1.329 nan 8.190 nan 0.000 0.453 796 S N 1.320 117.037 115.700 0.029 0.000 2.558 796 S HA 0.149 4.627 4.470 0.015 0.000 0.293 796 S C 0.037 174.643 174.600 0.010 0.000 1.292 796 S CA 0.281 58.483 58.200 0.003 0.000 1.063 796 S CB -0.104 63.095 63.200 -0.002 0.000 0.831 796 S HN 0.827 nan 8.310 nan 0.000 0.499 797 E N 1.626 121.827 120.200 0.001 0.000 2.367 797 E HA 0.510 4.869 4.350 0.015 0.000 0.273 797 E C 0.644 177.249 176.600 0.008 0.000 0.903 797 E CA -0.607 55.798 56.400 0.008 0.000 0.764 797 E CB 1.465 31.168 29.700 0.004 0.000 1.252 797 E HN 0.573 nan 8.360 nan 0.000 0.446 798 A N 1.008 123.839 122.820 0.018 0.000 1.917 798 A HA -0.217 4.112 4.320 0.015 0.000 0.219 798 A C 2.088 179.678 177.584 0.011 0.000 1.182 798 A CA 2.599 54.647 52.037 0.018 0.000 0.633 798 A CB -1.027 17.989 19.000 0.026 0.000 0.819 798 A HN 0.696 nan 8.150 nan 0.000 0.448 799 T N -1.577 112.983 114.554 0.009 0.000 3.072 799 T HA -0.008 4.351 4.350 0.015 0.000 0.266 799 T C 0.707 175.402 174.700 -0.008 0.000 1.127 799 T CA 0.924 63.025 62.100 0.003 0.000 1.107 799 T CB -0.276 68.595 68.868 0.005 0.000 0.910 799 T HN 0.735 nan 8.240 nan 0.000 0.513 800 R N 0.556 121.048 120.500 -0.013 0.000 3.124 800 R HA 0.375 4.723 4.340 0.015 0.000 0.212 800 R C -1.061 175.223 176.300 -0.026 0.000 1.677 800 R CA -0.735 55.350 56.100 -0.025 0.000 1.186 800 R CB -0.363 29.914 30.300 -0.039 0.000 1.571 800 R HN 0.094 nan 8.270 nan 0.000 0.583 801 I N 1.701 122.259 120.570 -0.021 0.000 2.692 801 I HA 0.051 4.230 4.170 0.015 0.000 0.284 801 I C 0.179 176.274 176.117 -0.035 0.000 1.159 801 I CA 0.240 61.527 61.300 -0.022 0.000 1.423 801 I CB 0.806 38.797 38.000 -0.016 0.000 1.380 801 I HN 0.610 nan 8.210 nan 0.000 0.580 802 D N 8.471 128.846 120.400 -0.040 0.000 2.472 802 D HA 0.280 4.929 4.640 0.015 0.000 0.234 802 D C -1.722 174.532 176.300 -0.076 0.000 1.088 802 D CA -2.199 51.767 54.000 -0.057 0.000 0.882 802 D CB 1.464 42.233 40.800 -0.052 0.000 1.037 802 D HN 0.181 nan 8.370 nan 0.000 0.520 803 P HA -0.075 nan 4.420 nan 0.000 0.234 803 P C 0.832 178.038 177.300 -0.157 0.000 1.167 803 P CA 0.545 63.584 63.100 -0.101 0.000 0.763 803 P CB 0.196 31.846 31.700 -0.083 0.000 0.835 804 N N -0.168 118.436 118.700 -0.161 0.000 2.446 804 N HA 0.010 4.759 4.740 0.015 0.000 0.179 804 N C 0.456 175.779 175.510 -0.312 0.000 1.054 804 N CA -0.139 52.774 53.050 -0.228 0.000 0.905 804 N CB 0.028 38.408 38.487 -0.179 0.000 0.973 804 N HN -0.034 nan 8.380 nan 0.000 0.448 805 A N 0.387 123.070 122.820 -0.228 0.000 2.483 805 A HA -0.006 4.322 4.320 0.015 0.000 0.238 805 A C 0.583 177.958 177.584 -0.348 0.000 1.070 805 A CA -0.331 51.572 52.037 -0.224 0.000 0.770 805 A CB -0.149 18.793 19.000 -0.096 0.000 1.008 805 A HN 0.485 nan 8.150 nan 0.000 0.497 806 W N 1.562 122.610 121.300 -0.419 0.000 2.318 806 W HA -0.178 4.490 4.660 0.014 0.000 0.313 806 W C 2.234 178.150 176.519 -1.005 0.000 1.221 806 W CA 1.749 58.575 57.345 -0.865 0.000 1.266 806 W CB -0.304 28.538 29.460 -1.029 0.000 1.150 806 W HN 0.556 nan 8.180 nan 0.000 0.496 807 V N 0.846 120.622 119.914 -0.230 0.000 2.392 807 V HA -0.274 3.855 4.120 0.015 0.000 0.249 807 V C 2.151 178.313 176.094 0.113 0.000 1.059 807 V CA 2.122 64.491 62.300 0.115 0.000 1.051 807 V CB -0.358 31.587 31.823 0.203 0.000 0.658 807 V HN 0.093 nan 8.190 nan 0.000 0.455 808 E N -0.171 120.007 120.200 -0.035 0.000 2.106 808 E HA -0.172 4.187 4.350 0.015 0.000 0.192 808 E C 2.342 178.901 176.600 -0.067 0.000 0.984 808 E CA 1.034 57.417 56.400 -0.030 0.000 0.806 808 E CB -0.285 29.375 29.700 -0.066 0.000 0.750 808 E HN 0.610 nan 8.360 nan 0.000 0.458 809 R N -0.176 120.203 120.500 -0.202 0.000 2.066 809 R HA -0.103 4.245 4.340 0.015 0.000 0.232 809 R C 2.322 178.537 176.300 -0.142 0.000 1.131 809 R CA 1.299 57.255 56.100 -0.241 0.000 0.955 809 R CB -0.172 29.855 30.300 -0.455 0.000 0.851 809 R HN 0.245 nan 8.270 nan 0.000 0.432 810 W N 1.460 122.722 121.300 -0.064 0.000 2.358 810 W HA -0.093 4.575 4.660 0.015 0.000 0.303 810 W C 1.924 178.391 176.519 -0.086 0.000 1.208 810 W CA 0.759 57.948 57.345 -0.261 0.000 1.274 810 W CB -0.673 28.752 29.460 -0.059 0.000 1.138 810 W HN 0.115 nan 8.180 nan 0.000 0.515 811 K N 0.267 120.876 120.400 0.348 0.000 2.032 811 K HA -0.108 4.220 4.320 0.015 0.000 0.209 811 K C 2.300 178.962 176.600 0.103 0.000 1.048 811 K CA 1.950 58.411 56.287 0.289 0.000 0.927 811 K CB -0.677 31.948 32.500 0.209 0.000 0.712 811 K HN -0.018 nan 8.250 nan 0.000 0.441 812 A N 1.061 123.909 122.820 0.047 0.000 2.019 812 A HA -0.077 4.252 4.320 0.015 0.000 0.219 812 A C 2.178 179.751 177.584 -0.019 0.000 1.164 812 A CA 1.751 53.797 52.037 0.015 0.000 0.644 812 A CB -0.529 18.466 19.000 -0.009 0.000 0.805 812 A HN 0.346 nan 8.150 nan 0.000 0.449 813 A N -1.972 120.807 122.820 -0.068 0.000 2.208 813 A HA 0.411 4.740 4.320 0.015 0.000 0.209 813 A C 1.789 179.277 177.584 -0.159 0.000 1.161 813 A CA 1.200 53.197 52.037 -0.066 0.000 0.782 813 A CB -0.760 18.170 19.000 -0.116 0.000 0.816 813 A HN 1.845 nan 8.150 nan 0.000 0.477 814 G N -1.462 107.140 108.800 -0.330 0.000 2.141 814 G HA2 -0.299 3.670 3.960 0.015 0.000 0.242 814 G HA3 -0.299 3.670 3.960 0.015 0.000 0.242 814 G C 0.590 175.456 174.900 -0.056 0.000 0.982 814 G CA 0.652 45.314 45.100 -0.729 0.000 0.662 814 G HN 0.739 nan 8.290 nan 0.000 0.527 815 H N -1.397 117.630 119.070 -0.072 0.000 2.352 815 H HA -0.117 4.448 4.556 0.015 0.000 0.299 815 H C 2.233 177.516 175.328 -0.075 0.000 1.097 815 H CA 1.715 57.731 56.048 -0.054 0.000 1.311 815 H CB 0.055 29.727 29.762 -0.150 0.000 1.377 815 H HN 0.612 nan 8.280 nan 0.000 0.504 816 Y N 0.404 120.832 120.300 0.214 0.000 2.457 816 Y HA -0.079 4.480 4.550 0.014 0.000 0.292 816 Y C 2.097 178.086 175.900 0.147 0.000 1.125 816 Y CA 0.637 58.826 58.100 0.148 0.000 1.254 816 Y CB 0.326 38.857 38.460 0.119 0.000 1.012 816 Y HN 0.170 nan 8.280 nan 0.000 0.555 817 Q N -0.290 119.680 119.800 0.282 0.000 2.281 817 Q HA 0.303 4.651 4.340 0.015 0.000 0.215 817 Q C 0.606 176.799 176.000 0.322 0.000 0.867 817 Q CA -0.181 55.786 55.803 0.272 0.000 0.940 817 Q CB 0.603 29.498 28.738 0.262 0.000 1.111 817 Q HN 0.276 nan 8.270 nan 0.000 0.513 818 A N 1.676 124.703 122.820 0.345 0.000 2.531 818 A HA 0.004 4.332 4.320 0.015 0.000 0.236 818 A C -0.046 177.841 177.584 0.505 0.000 1.062 818 A CA 0.417 52.724 52.037 0.451 0.000 0.760 818 A CB 0.253 19.559 19.000 0.511 0.000 0.995 818 A HN 0.142 nan 8.150 nan 0.000 0.501 819 E N 0.770 121.188 120.200 0.363 0.000 2.195 819 E HA 0.464 4.823 4.350 0.015 0.000 0.271 819 E C -0.439 176.126 176.600 -0.057 0.000 0.923 819 E CA -0.635 55.898 56.400 0.222 0.000 0.790 819 E CB 1.981 31.770 29.700 0.149 0.000 1.155 819 E HN 0.719 nan 8.360 nan 0.000 0.402 820 A N 2.342 125.033 122.820 -0.214 0.000 2.544 820 A HA 0.406 4.735 4.320 0.015 0.000 0.301 820 A C 0.293 177.722 177.584 -0.259 0.000 1.368 820 A CA -0.219 51.417 52.037 -0.668 0.000 1.045 820 A CB -0.376 18.379 19.000 -0.409 0.000 1.129 820 A HN 0.567 nan 8.150 nan 0.000 0.540 821 A N 2.726 125.392 122.820 -0.256 0.000 2.454 821 A HA 0.478 4.807 4.320 0.015 0.000 0.260 821 A C 0.052 177.553 177.584 -0.138 0.000 1.106 821 A CA -0.357 51.605 52.037 -0.124 0.000 0.780 821 A CB -0.009 18.939 19.000 -0.087 0.000 1.044 821 A HN 1.213 nan 8.150 nan 0.000 0.498 822 L N 3.563 124.701 121.223 -0.142 0.000 2.313 822 L HA 0.333 4.682 4.340 0.015 0.000 0.282 822 L C 0.538 177.281 176.870 -0.213 0.000 1.092 822 L CA 0.296 54.969 54.840 -0.277 0.000 0.831 822 L CB 0.363 42.254 42.059 -0.281 0.000 1.159 822 L HN 0.741 nan 8.230 nan 0.000 0.442 823 L N 3.615 124.693 121.223 -0.242 0.000 2.408 823 L HA 0.315 4.664 4.340 0.015 0.000 0.215 823 L C 0.478 177.276 176.870 -0.121 0.000 1.081 823 L CA 0.073 54.833 54.840 -0.133 0.000 0.840 823 L CB -0.089 41.926 42.059 -0.074 0.000 1.002 823 L HN 0.763 nan 8.230 nan 0.000 0.468 824 Q N -0.389 119.309 119.800 -0.170 0.000 2.503 824 Q HA 0.348 4.697 4.340 0.015 0.000 0.268 824 Q C -2.081 173.856 176.000 -0.105 0.000 0.982 824 Q CA -0.646 55.096 55.803 -0.101 0.000 0.907 824 Q CB 2.741 31.449 28.738 -0.050 0.000 1.467 824 Q HN 0.036 nan 8.270 nan 0.000 0.394 825 C N 3.164 122.449 119.300 -0.026 0.000 2.833 825 C HA 0.799 5.267 4.460 0.015 0.000 0.383 825 C C -0.975 174.137 174.990 0.202 0.000 1.058 825 C CA 0.611 59.662 59.018 0.056 0.000 1.259 825 C CB 0.665 28.413 27.740 0.013 0.000 1.726 825 C HN 0.857 nan 8.230 nan 0.000 0.484 826 T N 2.432 117.072 114.554 0.143 0.000 2.901 826 T HA 0.915 5.274 4.350 0.015 0.000 0.293 826 T C -0.543 173.988 174.700 -0.282 0.000 1.084 826 T CA -0.305 61.835 62.100 0.066 0.000 1.008 826 T CB 1.926 70.787 68.868 -0.011 0.000 1.170 826 T HN 1.705 nan 8.240 nan 0.000 0.509 827 A N 1.226 123.685 122.820 -0.602 0.000 2.393 827 A HA 0.784 5.113 4.320 0.015 0.000 0.306 827 A C -1.218 176.114 177.584 -0.421 0.000 1.050 827 A CA -0.711 50.845 52.037 -0.802 0.000 0.724 827 A CB 1.294 19.319 19.000 -1.625 0.000 1.248 827 A HN 0.882 nan 8.150 nan 0.000 0.424 828 D N 0.664 120.878 120.400 -0.310 0.000 2.645 828 D HA 0.529 5.178 4.640 0.015 0.000 0.228 828 D C -1.031 175.166 176.300 -0.172 0.000 1.148 828 D CA -0.036 53.846 54.000 -0.196 0.000 0.860 828 D CB 2.492 43.210 40.800 -0.137 0.000 1.548 828 D HN 0.474 nan 8.370 nan 0.000 0.460 829 T N 1.176 115.650 114.554 -0.132 0.000 2.794 829 T HA 0.581 4.940 4.350 0.015 0.000 0.280 829 T C 0.472 175.122 174.700 -0.083 0.000 0.987 829 T CA -0.562 61.472 62.100 -0.111 0.000 0.993 829 T CB 1.179 69.981 68.868 -0.110 0.000 0.939 829 T HN 0.136 nan 8.240 nan 0.000 0.449 830 L N 1.177 122.356 121.223 -0.073 0.000 2.299 830 L HA 0.657 5.006 4.340 0.015 0.000 0.268 830 L C 1.991 178.834 176.870 -0.045 0.000 1.012 830 L CA -1.391 53.416 54.840 -0.055 0.000 0.816 830 L CB 0.421 42.450 42.059 -0.050 0.000 1.355 830 L HN 0.723 nan 8.230 nan 0.000 0.457 831 A N 0.676 123.475 122.820 -0.035 0.000 1.869 831 A HA -0.207 4.122 4.320 0.015 0.000 0.218 831 A C 1.236 178.806 177.584 -0.022 0.000 1.203 831 A CA 2.326 54.346 52.037 -0.027 0.000 0.638 831 A CB -0.586 18.400 19.000 -0.022 0.000 0.831 831 A HN 0.921 nan 8.150 nan 0.000 0.450 832 D N -2.219 118.168 120.400 -0.022 0.000 2.535 832 D HA 0.547 5.196 4.640 0.015 0.000 0.229 832 D C 0.054 176.343 176.300 -0.017 0.000 1.238 832 D CA 0.734 54.725 54.000 -0.015 0.000 0.824 832 D CB 0.086 40.874 40.800 -0.019 0.000 1.045 832 D HN 0.550 nan 8.370 nan 0.000 0.500 833 A N -0.410 122.391 122.820 -0.032 0.000 2.586 833 A HA 0.557 4.886 4.320 0.015 0.000 0.290 833 A C -1.747 175.794 177.584 -0.071 0.000 1.086 833 A CA -0.695 51.313 52.037 -0.049 0.000 0.665 833 A CB 1.514 20.481 19.000 -0.055 0.000 1.279 833 A HN -0.011 nan 8.150 nan 0.000 0.423 834 V N 0.721 120.577 119.914 -0.097 0.000 2.459 834 V HA 0.623 4.751 4.120 0.015 0.000 0.295 834 V C -0.875 175.124 176.094 -0.157 0.000 1.029 834 V CA -0.395 61.827 62.300 -0.131 0.000 0.874 834 V CB 1.269 33.016 31.823 -0.127 0.000 0.985 834 V HN 0.806 nan 8.190 nan 0.000 0.438 835 L N 6.616 127.734 121.223 -0.176 0.000 2.349 835 L HA 0.645 4.994 4.340 0.015 0.000 0.278 835 L C -0.827 175.896 176.870 -0.245 0.000 0.996 835 L CA -0.030 54.709 54.840 -0.167 0.000 0.825 835 L CB 1.337 43.327 42.059 -0.116 0.000 1.243 835 L HN 0.400 nan 8.230 nan 0.000 0.412 836 I N 3.912 124.330 120.570 -0.253 0.000 2.377 836 I HA 0.438 4.616 4.170 0.015 0.000 0.293 836 I C -0.013 176.055 176.117 -0.081 0.000 0.987 836 I CA -0.291 60.806 61.300 -0.339 0.000 1.185 836 I CB 1.595 39.126 38.000 -0.782 0.000 1.341 836 I HN 0.546 nan 8.210 nan 0.000 0.455 837 T N 4.759 119.271 114.554 -0.069 0.000 2.792 837 T HA 0.622 4.981 4.350 0.015 0.000 0.280 837 T C 0.186 174.923 174.700 0.062 0.000 0.990 837 T CA -0.529 61.585 62.100 0.024 0.000 0.960 837 T CB 1.664 70.526 68.868 -0.011 0.000 0.939 837 T HN 0.786 nan 8.240 nan 0.000 0.439 838 T N -0.466 114.165 114.554 0.129 0.000 2.906 838 T HA 0.868 5.227 4.350 0.015 0.000 0.295 838 T C -1.168 173.579 174.700 0.079 0.000 1.075 838 T CA -1.070 61.087 62.100 0.094 0.000 1.005 838 T CB 2.011 70.993 68.868 0.188 0.000 1.136 838 T HN 0.771 nan 8.240 nan 0.000 0.498 839 A N 1.689 124.473 122.820 -0.059 0.000 2.437 839 A HA 0.738 5.066 4.320 0.015 0.000 0.293 839 A C -1.415 176.062 177.584 -0.178 0.000 1.038 839 A CA -0.755 51.283 52.037 0.002 0.000 0.708 839 A CB 0.793 19.802 19.000 0.016 0.000 1.251 839 A HN 1.004 nan 8.150 nan 0.000 0.409 840 H N 0.231 119.340 119.070 0.065 0.000 2.821 840 H HA 0.786 5.351 4.556 0.015 0.000 0.373 840 H C -0.063 175.261 175.328 -0.007 0.000 1.165 840 H CA 0.224 56.219 56.048 -0.088 0.000 1.154 840 H CB 2.177 31.783 29.762 -0.259 0.000 1.765 840 H HN 0.978 nan 8.280 nan 0.000 0.549 841 A N 1.931 124.746 122.820 -0.009 0.000 2.330 841 A HA 0.372 4.700 4.320 0.015 0.000 0.313 841 A C -1.319 176.242 177.584 -0.038 0.000 1.124 841 A CA -0.676 51.416 52.037 0.091 0.000 0.774 841 A CB 0.907 19.941 19.000 0.056 0.000 1.198 841 A HN 0.562 nan 8.150 nan 0.000 0.465 842 W N 2.237 123.638 121.300 0.168 0.000 2.391 842 W HA 0.426 5.095 4.660 0.015 0.000 0.311 842 W C -0.257 176.290 176.519 0.046 0.000 1.087 842 W CA -0.042 57.401 57.345 0.164 0.000 1.209 842 W CB 1.653 31.254 29.460 0.236 0.000 1.273 842 W HN 0.764 nan 8.180 nan 0.000 0.482 843 Q N 1.633 121.561 119.800 0.214 0.000 2.484 843 Q HA 0.427 4.776 4.340 0.015 0.000 0.285 843 Q C -0.991 175.144 176.000 0.225 0.000 1.097 843 Q CA -0.912 54.981 55.803 0.150 0.000 0.802 843 Q CB 3.605 32.388 28.738 0.075 0.000 1.444 843 Q HN 0.400 nan 8.270 nan 0.000 0.429 844 H N 1.370 120.474 119.070 0.057 0.000 3.018 844 H HA 0.066 4.631 4.556 0.015 0.000 0.334 844 H C -0.850 174.511 175.328 0.055 0.000 0.983 844 H CA -0.184 55.908 56.048 0.074 0.000 1.363 844 H CB 1.114 30.928 29.762 0.086 0.000 1.668 844 H HN 0.640 nan 8.280 nan 0.000 0.513 845 Q N 2.974 122.461 119.800 -0.521 0.000 2.475 845 Q HA -0.184 4.164 4.340 0.015 0.000 0.280 845 Q C 1.085 177.021 176.000 -0.107 0.000 1.234 845 Q CA 1.629 57.248 55.803 -0.307 0.000 0.873 845 Q CB -1.852 26.720 28.738 -0.277 0.000 1.256 845 Q HN 1.214 nan 8.270 nan 0.000 0.475 846 G N -1.377 107.385 108.800 -0.064 0.000 2.199 846 G HA2 -0.377 3.592 3.960 0.015 0.000 0.254 846 G HA3 -0.377 3.592 3.960 0.015 0.000 0.254 846 G C 0.082 174.985 174.900 0.006 0.000 0.982 846 G CA 0.515 45.603 45.100 -0.020 0.000 0.632 846 G HN 0.497 nan 8.290 nan 0.000 0.529 847 K N 1.524 121.938 120.400 0.024 0.000 2.185 847 K HA 0.641 4.970 4.320 0.015 0.000 0.269 847 K C -0.026 176.596 176.600 0.036 0.000 0.987 847 K CA -0.140 56.169 56.287 0.038 0.000 0.865 847 K CB 0.970 33.506 32.500 0.060 0.000 1.090 847 K HN -0.007 nan 8.250 nan 0.000 0.450 848 T N 6.156 120.721 114.554 0.017 0.000 2.729 848 T HA 0.200 4.559 4.350 0.015 0.000 0.296 848 T C 1.088 175.742 174.700 -0.077 0.000 0.928 848 T CA -0.386 61.720 62.100 0.009 0.000 1.045 848 T CB 0.333 69.222 68.868 0.035 0.000 0.902 848 T HN 0.553 nan 8.240 nan 0.000 0.500 849 L N 2.501 123.590 121.223 -0.224 0.000 2.102 849 L HA 0.322 4.670 4.340 0.015 0.000 0.202 849 L C -0.026 176.383 176.870 -0.768 0.000 1.076 849 L CA 0.976 55.412 54.840 -0.674 0.000 0.761 849 L CB 0.028 41.324 42.059 -1.272 0.000 0.921 849 L HN 0.531 nan 8.230 nan 0.000 0.444 850 F N -1.322 118.594 119.950 -0.056 0.000 2.613 850 F HA 0.553 5.089 4.527 0.014 0.000 0.310 850 F C -0.533 175.366 175.800 0.165 0.000 1.085 850 F CA -0.838 57.081 58.000 -0.135 0.000 0.945 850 F CB 1.960 40.518 39.000 -0.737 0.000 1.298 850 F HN -0.328 nan 8.300 nan 0.000 0.455 851 I N 1.464 122.259 120.570 0.375 0.000 2.465 851 I HA 0.393 4.571 4.170 0.015 0.000 0.291 851 I C -0.734 175.654 176.117 0.450 0.000 1.014 851 I CA -0.567 60.979 61.300 0.410 0.000 1.093 851 I CB 2.181 40.331 38.000 0.250 0.000 1.267 851 I HN 0.545 nan 8.210 nan 0.000 0.431 852 S N 6.672 122.740 115.700 0.614 0.000 2.478 852 S HA 0.592 5.071 4.470 0.015 0.000 0.312 852 S C -0.671 174.176 174.600 0.412 0.000 1.094 852 S CA -0.668 57.862 58.200 0.550 0.000 1.081 852 S CB 0.784 64.451 63.200 0.780 0.000 1.007 852 S HN 0.562 nan 8.310 nan 0.000 0.475 853 R N 3.360 124.026 120.500 0.275 0.000 2.437 853 R HA 0.566 4.915 4.340 0.015 0.000 0.310 853 R C -0.801 175.577 176.300 0.129 0.000 0.955 853 R CA -0.739 55.475 56.100 0.190 0.000 0.851 853 R CB 1.838 32.223 30.300 0.141 0.000 1.161 853 R HN 0.579 nan 8.270 nan 0.000 0.446 854 K N 0.742 121.211 120.400 0.115 0.000 2.480 854 K HA 0.473 4.802 4.320 0.015 0.000 0.258 854 K C -0.892 175.694 176.600 -0.024 0.000 0.990 854 K CA -0.918 55.362 56.287 -0.011 0.000 0.857 854 K CB 2.618 35.075 32.500 -0.072 0.000 1.384 854 K HN 0.628 nan 8.250 nan 0.000 0.446 855 T N -1.423 113.043 114.554 -0.146 0.000 2.893 855 T HA 0.573 4.931 4.350 0.015 0.000 0.293 855 T C -1.306 173.270 174.700 -0.207 0.000 1.027 855 T CA -0.764 61.294 62.100 -0.069 0.000 0.988 855 T CB 0.539 69.390 68.868 -0.028 0.000 1.043 855 T HN 0.378 nan 8.240 nan 0.000 0.461 856 Y N 1.029 121.300 120.300 -0.048 0.000 2.331 856 Y HA 0.639 5.198 4.550 0.015 0.000 0.334 856 Y C 0.425 176.262 175.900 -0.106 0.000 0.960 856 Y CA -1.200 56.885 58.100 -0.026 0.000 1.130 856 Y CB 1.821 40.298 38.460 0.030 0.000 1.164 856 Y HN 0.747 nan 8.280 nan 0.000 0.458 857 R N 4.868 125.398 120.500 0.051 0.000 2.388 857 R HA 0.632 4.981 4.340 0.015 0.000 0.314 857 R C -1.803 174.450 176.300 -0.078 0.000 0.959 857 R CA -0.371 55.711 56.100 -0.030 0.000 0.851 857 R CB 0.510 30.797 30.300 -0.022 0.000 1.168 857 R HN 0.824 nan 8.270 nan 0.000 0.472 858 I N 5.175 125.640 120.570 -0.174 0.000 2.330 858 I HA 0.213 4.391 4.170 0.015 0.000 0.289 858 I C -0.255 175.757 176.117 -0.176 0.000 1.001 858 I CA -0.790 60.330 61.300 -0.300 0.000 1.193 858 I CB 1.464 39.072 38.000 -0.654 0.000 1.345 858 I HN 0.703 nan 8.210 nan 0.000 0.461 859 D N 4.165 124.507 120.400 -0.096 0.000 2.569 859 D HA 0.270 4.919 4.640 0.015 0.000 0.266 859 D C 1.253 177.566 176.300 0.021 0.000 1.164 859 D CA -0.741 53.242 54.000 -0.029 0.000 1.071 859 D CB 0.735 41.533 40.800 -0.004 0.000 1.183 859 D HN 0.457 nan 8.370 nan 0.000 0.613 860 G N -1.478 107.351 108.800 0.048 0.000 2.625 860 G HA2 -0.117 3.852 3.960 0.015 0.000 0.214 860 G HA3 -0.117 3.852 3.960 0.015 0.000 0.214 860 G C 1.052 176.059 174.900 0.178 0.000 1.132 860 G CA 0.900 46.063 45.100 0.105 0.000 0.782 860 G HN 0.519 nan 8.290 nan 0.000 0.538 861 S N -1.305 114.484 115.700 0.148 0.000 2.556 861 S HA 0.386 4.864 4.470 0.015 0.000 0.216 861 S C 1.778 176.488 174.600 0.185 0.000 0.970 861 S CA 0.910 59.235 58.200 0.207 0.000 0.912 861 S CB 0.154 63.456 63.200 0.169 0.000 0.790 861 S HN 1.367 nan 8.310 nan 0.000 0.504 862 G N 0.828 109.738 108.800 0.184 0.000 2.157 862 G HA2 -0.229 3.740 3.960 0.015 0.000 0.248 862 G HA3 -0.229 3.740 3.960 0.015 0.000 0.248 862 G C -0.213 174.840 174.900 0.255 0.000 0.979 862 G CA 0.125 45.396 45.100 0.284 0.000 0.650 862 G HN 0.628 nan 8.290 nan 0.000 0.529 863 Q N -0.529 119.358 119.800 0.146 0.000 2.227 863 Q HA 0.659 5.008 4.340 0.015 0.000 0.245 863 Q C 0.223 176.266 176.000 0.072 0.000 0.926 863 Q CA -0.435 55.458 55.803 0.149 0.000 0.895 863 Q CB 1.618 30.436 28.738 0.133 0.000 1.230 863 Q HN 0.423 nan 8.270 nan 0.000 0.450 864 M N 1.849 121.530 119.600 0.136 0.000 2.044 864 M HA 0.498 4.987 4.480 0.015 0.000 0.333 864 M C -1.423 174.974 176.300 0.161 0.000 1.004 864 M CA -0.477 54.870 55.300 0.078 0.000 0.954 864 M CB 0.882 33.531 32.600 0.082 0.000 1.468 864 M HN 0.718 nan 8.290 nan 0.000 0.414 865 A N 6.673 129.552 122.820 0.098 0.000 2.289 865 A HA 0.682 5.011 4.320 0.015 0.000 0.298 865 A C -0.681 176.941 177.584 0.063 0.000 1.208 865 A CA -0.619 51.479 52.037 0.102 0.000 0.845 865 A CB 0.187 19.229 19.000 0.070 0.000 1.125 865 A HN 0.929 nan 8.150 nan 0.000 0.517 866 I N 2.096 122.694 120.570 0.046 0.000 2.377 866 I HA 0.355 4.534 4.170 0.015 0.000 0.293 866 I C -0.072 175.942 176.117 -0.171 0.000 0.987 866 I CA -0.222 61.003 61.300 -0.125 0.000 1.185 866 I CB 2.070 39.995 38.000 -0.125 0.000 1.341 866 I HN 0.493 nan 8.210 nan 0.000 0.455 867 T N 5.607 120.019 114.554 -0.237 0.000 2.807 867 T HA 0.577 4.936 4.350 0.015 0.000 0.279 867 T C -0.373 174.136 174.700 -0.318 0.000 0.993 867 T CA -0.483 61.483 62.100 -0.222 0.000 0.970 867 T CB 1.871 70.701 68.868 -0.064 0.000 0.950 867 T HN 0.232 nan 8.240 nan 0.000 0.441 868 V N 3.496 123.102 119.914 -0.513 0.000 2.588 868 V HA 0.495 4.624 4.120 0.015 0.000 0.304 868 V C -0.892 175.040 176.094 -0.269 0.000 1.042 868 V CA -0.901 61.119 62.300 -0.467 0.000 0.877 868 V CB 2.139 33.382 31.823 -0.967 0.000 0.996 868 V HN 0.846 nan 8.190 nan 0.000 0.425 869 D N 3.250 123.659 120.400 0.015 0.000 2.549 869 D HA 0.536 5.184 4.640 0.015 0.000 0.251 869 D C -1.019 175.407 176.300 0.211 0.000 1.153 869 D CA -0.069 54.036 54.000 0.174 0.000 0.861 869 D CB 2.640 43.560 40.800 0.200 0.000 1.207 869 D HN 0.258 nan 8.370 nan 0.000 0.543 870 V N 2.253 122.330 119.914 0.272 0.000 2.628 870 V HA 0.319 4.448 4.120 0.015 0.000 0.306 870 V C 0.091 176.335 176.094 0.250 0.000 1.045 870 V CA -0.760 61.714 62.300 0.289 0.000 0.905 870 V CB 2.495 34.529 31.823 0.353 0.000 0.997 870 V HN 0.341 nan 8.190 nan 0.000 0.436 871 E N 2.339 122.673 120.200 0.223 0.000 2.166 871 E HA 0.615 4.974 4.350 0.015 0.000 0.275 871 E C -1.467 175.257 176.600 0.207 0.000 0.941 871 E CA -0.542 55.968 56.400 0.184 0.000 0.784 871 E CB 2.383 32.174 29.700 0.152 0.000 1.115 871 E HN 0.436 nan 8.360 nan 0.000 0.399 872 V N 2.228 122.267 119.914 0.209 0.000 2.444 872 V HA 0.380 4.508 4.120 0.015 0.000 0.294 872 V C 0.156 176.356 176.094 0.177 0.000 1.022 872 V CA -1.038 61.418 62.300 0.259 0.000 0.850 872 V CB 1.440 33.451 31.823 0.314 0.000 0.992 872 V HN 0.837 nan 8.190 nan 0.000 0.426 873 A N 3.492 126.374 122.820 0.104 0.000 2.567 873 A HA 0.236 4.564 4.320 0.015 0.000 0.240 873 A C 1.687 179.346 177.584 0.125 0.000 1.053 873 A CA 0.679 52.762 52.037 0.075 0.000 0.755 873 A CB 0.204 19.209 19.000 0.009 0.000 0.978 873 A HN 1.420 nan 8.150 nan 0.000 0.507 874 S N 1.252 117.021 115.700 0.115 0.000 2.419 874 S HA -0.171 4.308 4.470 0.015 0.000 0.233 874 S C 0.929 175.614 174.600 0.141 0.000 1.016 874 S CA 1.438 59.723 58.200 0.141 0.000 0.974 874 S CB -0.290 62.971 63.200 0.102 0.000 0.786 874 S HN 0.839 nan 8.310 nan 0.000 0.492 875 D N 0.089 120.547 120.400 0.097 0.000 2.340 875 D HA 0.152 4.801 4.640 0.015 0.000 0.217 875 D C 0.493 176.835 176.300 0.070 0.000 1.081 875 D CA -0.001 54.040 54.000 0.069 0.000 0.842 875 D CB -0.354 40.472 40.800 0.044 0.000 0.934 875 D HN 0.304 nan 8.370 nan 0.000 0.511 876 T N 1.404 116.026 114.554 0.112 0.000 2.928 876 T HA 0.392 4.750 4.350 0.015 0.000 0.284 876 T C -2.596 172.230 174.700 0.211 0.000 1.008 876 T CA -1.948 60.244 62.100 0.154 0.000 1.057 876 T CB 1.200 70.173 68.868 0.174 0.000 1.018 876 T HN -0.150 nan 8.240 nan 0.000 0.493 877 P HA 0.062 nan 4.420 nan 0.000 0.264 877 P C -0.574 177.052 177.300 0.545 0.000 1.183 877 P CA 0.174 63.404 63.100 0.217 0.000 0.763 877 P CB -0.090 31.721 31.700 0.185 0.000 0.807 878 H N 3.880 123.335 119.070 0.642 0.000 3.094 878 H HA 0.051 4.616 4.556 0.014 0.000 0.320 878 H C -1.546 174.124 175.328 0.570 0.000 1.000 878 H CA -1.228 55.125 56.048 0.509 0.000 1.413 878 H CB -0.436 29.557 29.762 0.386 0.000 1.405 878 H HN 0.377 nan 8.280 nan 0.000 0.586 879 P HA 0.005 nan 4.420 nan 0.000 0.274 879 P C 0.138 177.308 177.300 -0.216 0.000 1.231 879 P CA -0.267 62.880 63.100 0.079 0.000 0.790 879 P CB 1.120 32.728 31.700 -0.153 0.000 0.951 880 A N 3.451 125.853 122.820 -0.696 0.000 1.972 880 A HA -0.115 4.213 4.320 0.015 0.000 0.219 880 A C 1.043 178.211 177.584 -0.694 0.000 1.169 880 A CA 1.402 52.997 52.037 -0.736 0.000 0.635 880 A CB -0.574 17.767 19.000 -1.100 0.000 0.810 880 A HN 0.766 nan 8.150 nan 0.000 0.446 881 R N -3.217 116.918 120.500 -0.609 0.000 2.728 881 R HA 0.730 5.079 4.340 0.015 0.000 0.274 881 R C -1.639 174.393 176.300 -0.448 0.000 1.030 881 R CA -0.812 54.949 56.100 -0.566 0.000 0.876 881 R CB 0.732 30.644 30.300 -0.647 0.000 1.259 881 R HN -0.008 nan 8.270 nan 0.000 0.468 882 I N 0.951 121.286 120.570 -0.392 0.000 2.540 882 I HA 0.641 4.819 4.170 0.015 0.000 0.280 882 I C -0.492 175.373 176.117 -0.420 0.000 1.083 882 I CA -0.322 60.766 61.300 -0.353 0.000 1.080 882 I CB 1.839 39.705 38.000 -0.223 0.000 1.205 882 I HN 0.965 nan 8.210 nan 0.000 0.459 883 G N 5.734 114.225 108.800 -0.514 0.000 2.650 883 G HA2 0.752 4.721 3.960 0.015 0.000 0.310 883 G HA3 0.752 4.721 3.960 0.015 0.000 0.310 883 G C -1.666 173.059 174.900 -0.293 0.000 1.270 883 G CA -0.579 44.267 45.100 -0.423 0.000 0.810 883 G HN 0.255 nan 8.290 nan 0.000 0.493 884 L N 0.723 121.826 121.223 -0.201 0.000 2.333 884 L HA 0.653 5.002 4.340 0.015 0.000 0.263 884 L C -0.735 176.032 176.870 -0.172 0.000 1.014 884 L CA -1.150 53.603 54.840 -0.145 0.000 0.820 884 L CB 2.415 44.467 42.059 -0.012 0.000 1.352 884 L HN 0.735 nan 8.230 nan 0.000 0.421 885 N N 0.728 119.354 118.700 -0.123 0.000 2.329 885 N HA 0.697 5.446 4.740 0.015 0.000 0.282 885 N C -1.301 174.215 175.510 0.009 0.000 1.198 885 N CA -0.511 52.504 53.050 -0.059 0.000 0.790 885 N CB 2.403 40.869 38.487 -0.035 0.000 1.579 885 N HN 0.864 nan 8.380 nan 0.000 0.475 886 C N -0.174 119.144 119.300 0.030 0.000 3.312 886 C HA 0.599 5.067 4.460 0.015 0.000 0.332 886 C C -1.151 173.636 174.990 -0.339 0.000 1.340 886 C CA -0.823 58.153 59.018 -0.069 0.000 1.265 886 C CB 1.029 28.759 27.740 -0.018 0.000 1.563 886 C HN 0.835 nan 8.230 nan 0.000 0.471 887 Q N 1.474 120.838 119.800 -0.726 0.000 2.372 887 Q HA 0.666 5.014 4.340 0.015 0.000 0.259 887 Q C -1.053 174.645 176.000 -0.503 0.000 0.993 887 Q CA -0.425 54.713 55.803 -1.108 0.000 0.854 887 Q CB 0.879 28.558 28.738 -1.766 0.000 1.231 887 Q HN 0.771 nan 8.270 nan 0.000 0.462 888 L N 2.372 123.410 121.223 -0.308 0.000 2.418 888 L HA 0.332 4.681 4.340 0.015 0.000 0.265 888 L C 1.186 177.997 176.870 -0.097 0.000 1.143 888 L CA -0.229 54.558 54.840 -0.089 0.000 0.809 888 L CB 0.810 42.935 42.059 0.109 0.000 1.124 888 L HN 0.802 nan 8.230 nan 0.000 0.456 889 A N 1.555 124.348 122.820 -0.045 0.000 1.929 889 A HA -0.103 4.225 4.320 0.015 0.000 0.216 889 A C 1.138 178.716 177.584 -0.009 0.000 1.176 889 A CA 0.601 52.604 52.037 -0.057 0.000 0.628 889 A CB -0.295 18.666 19.000 -0.065 0.000 0.816 889 A HN 0.788 nan 8.150 nan 0.000 0.444 890 Q N -0.051 119.782 119.800 0.055 0.000 2.392 890 Q HA 0.401 4.750 4.340 0.015 0.000 0.262 890 Q C -1.146 174.901 176.000 0.079 0.000 1.003 890 Q CA 0.362 56.190 55.803 0.041 0.000 0.888 890 Q CB 0.824 29.616 28.738 0.089 0.000 1.260 890 Q HN 0.131 nan 8.270 nan 0.000 0.435 891 V N 3.625 123.544 119.914 0.008 0.000 2.419 891 V HA 0.749 4.878 4.120 0.015 0.000 0.287 891 V C -0.660 175.403 176.094 -0.050 0.000 1.017 891 V CA -0.276 62.064 62.300 0.066 0.000 0.844 891 V CB 0.986 32.831 31.823 0.037 0.000 1.011 891 V HN 0.914 nan 8.190 nan 0.000 0.429 892 A N 3.029 125.759 122.820 -0.150 0.000 2.330 892 A HA 0.729 5.058 4.320 0.015 0.000 0.329 892 A C 0.948 178.547 177.584 0.025 0.000 1.135 892 A CA -0.145 51.753 52.037 -0.231 0.000 0.817 892 A CB 1.399 20.028 19.000 -0.619 0.000 1.269 892 A HN 0.930 nan 8.150 nan 0.000 0.469 893 E N 0.701 120.910 120.200 0.014 0.000 2.106 893 E HA -0.092 4.267 4.350 0.015 0.000 0.192 893 E C 0.491 177.165 176.600 0.123 0.000 0.984 893 E CA 0.998 57.436 56.400 0.063 0.000 0.806 893 E CB 0.109 29.828 29.700 0.032 0.000 0.750 893 E HN 0.558 nan 8.360 nan 0.000 0.458 894 R N -0.137 120.446 120.500 0.138 0.000 2.919 894 R HA 0.567 4.915 4.340 0.015 0.000 0.260 894 R C -1.097 175.393 176.300 0.316 0.000 1.067 894 R CA -1.022 55.194 56.100 0.193 0.000 1.003 894 R CB 1.907 32.293 30.300 0.143 0.000 1.192 894 R HN -0.042 nan 8.270 nan 0.000 0.488 895 V N 1.664 121.770 119.914 0.320 0.000 2.525 895 V HA 0.336 4.464 4.120 0.015 0.000 0.299 895 V C -0.429 175.938 176.094 0.456 0.000 1.034 895 V CA -0.944 61.582 62.300 0.377 0.000 0.863 895 V CB 1.802 33.786 31.823 0.270 0.000 0.999 895 V HN 0.678 nan 8.190 nan 0.000 0.423 896 N N 4.509 123.453 118.700 0.406 0.000 2.314 896 N HA 0.558 5.307 4.740 0.015 0.000 0.294 896 N C -1.343 174.431 175.510 0.439 0.000 1.029 896 N CA -0.435 52.825 53.050 0.351 0.000 0.845 896 N CB 2.731 41.314 38.487 0.160 0.000 1.321 896 N HN 0.811 nan 8.380 nan 0.000 0.481 897 W N 3.080 124.417 121.300 0.061 0.000 3.118 897 W HA 0.585 5.253 4.660 0.014 0.000 0.328 897 W C -2.018 174.468 176.519 -0.056 0.000 1.239 897 W CA -1.135 56.221 57.345 0.017 0.000 1.176 897 W CB 0.733 30.235 29.460 0.070 0.000 1.433 897 W HN 0.231 nan 8.180 nan 0.000 0.562 898 L N 4.108 125.296 121.223 -0.058 0.000 2.301 898 L HA 0.911 5.260 4.340 0.015 0.000 0.278 898 L C -0.044 176.657 176.870 -0.281 0.000 1.022 898 L CA 0.252 54.872 54.840 -0.368 0.000 0.854 898 L CB 0.584 42.526 42.059 -0.195 0.000 1.226 898 L HN 0.963 nan 8.230 nan 0.000 0.429 899 G N 3.724 112.239 108.800 -0.475 0.000 2.428 899 G HA2 0.248 4.216 3.960 0.015 0.000 0.305 899 G HA3 0.248 4.216 3.960 0.015 0.000 0.305 899 G C -1.635 173.292 174.900 0.044 0.000 1.260 899 G CA -1.027 44.053 45.100 -0.033 0.000 0.853 899 G HN 0.402 nan 8.290 nan 0.000 0.480 900 L N 0.983 122.371 121.223 0.275 0.000 2.380 900 L HA 0.612 4.961 4.340 0.015 0.000 0.273 900 L C 1.041 178.011 176.870 0.166 0.000 1.138 900 L CA 0.708 55.668 54.840 0.200 0.000 0.832 900 L CB 0.702 42.830 42.059 0.114 0.000 1.124 900 L HN 1.123 nan 8.230 nan 0.000 0.454 901 G N 2.854 111.532 108.800 -0.203 0.000 2.341 901 G HA2 0.248 4.217 3.960 0.015 0.000 0.299 901 G HA3 0.248 4.217 3.960 0.015 0.000 0.299 901 G C -2.760 171.306 174.900 -1.390 0.000 1.274 901 G CA -0.286 44.370 45.100 -0.739 0.000 0.853 901 G HN 0.313 nan 8.290 nan 0.000 0.493 902 P HA 0.099 nan 4.420 nan 0.000 0.235 902 P C 0.448 177.559 177.300 -0.315 0.000 1.177 902 P CA 0.579 63.066 63.100 -1.021 0.000 0.785 902 P CB 0.520 31.741 31.700 -0.798 0.000 0.885 903 Q N 0.365 119.970 119.800 -0.325 0.000 2.237 903 Q HA 0.182 4.531 4.340 0.015 0.000 0.219 903 Q C 0.341 176.231 176.000 -0.182 0.000 0.999 903 Q CA -0.732 54.957 55.803 -0.191 0.000 0.959 903 Q CB 0.712 29.358 28.738 -0.155 0.000 1.173 903 Q HN 0.093 nan 8.270 nan 0.000 0.527 904 E N 1.211 121.313 120.200 -0.164 0.000 2.502 904 E HA -0.101 4.258 4.350 0.015 0.000 0.261 904 E C -1.163 175.359 176.600 -0.131 0.000 0.974 904 E CA 0.270 56.562 56.400 -0.179 0.000 0.936 904 E CB 0.237 29.898 29.700 -0.066 0.000 0.926 904 E HN 0.583 nan 8.360 nan 0.000 0.459 905 N N 2.730 121.283 118.700 -0.245 0.000 2.308 905 N HA 0.335 5.084 4.740 0.015 0.000 0.283 905 N C -1.848 173.445 175.510 -0.362 0.000 1.105 905 N CA -0.681 52.270 53.050 -0.165 0.000 0.840 905 N CB 0.790 39.198 38.487 -0.131 0.000 1.633 905 N HN 0.250 nan 8.380 nan 0.000 0.476 906 Y N 0.014 120.219 120.300 -0.158 0.000 2.633 906 Y HA 0.499 5.058 4.550 0.014 0.000 0.339 906 Y C -1.661 174.166 175.900 -0.121 0.000 1.045 906 Y CA -2.029 55.965 58.100 -0.177 0.000 1.098 906 Y CB 2.015 40.361 38.460 -0.189 0.000 1.296 906 Y HN 0.440 nan 8.280 nan 0.000 0.494 907 P HA -0.193 nan 4.420 nan 0.000 0.216 907 P C 0.442 177.648 177.300 -0.155 0.000 1.154 907 P CA 2.239 65.395 63.100 0.092 0.000 0.865 907 P CB 0.193 32.063 31.700 0.283 0.000 0.789 908 D N -2.370 117.688 120.400 -0.570 0.000 2.340 908 D HA -0.005 4.643 4.640 0.015 0.000 0.217 908 D C 0.708 176.843 176.300 -0.274 0.000 1.081 908 D CA 0.134 53.574 54.000 -0.933 0.000 0.842 908 D CB -0.243 39.756 40.800 -1.334 0.000 0.934 908 D HN 0.125 nan 8.370 nan 0.000 0.511 909 R N 1.032 121.476 120.500 -0.094 0.000 2.684 909 R HA 0.186 4.534 4.340 0.015 0.000 0.252 909 R C -0.650 175.676 176.300 0.044 0.000 1.628 909 R CA -0.162 55.947 56.100 0.015 0.000 1.622 909 R CB 0.076 30.386 30.300 0.016 0.000 1.418 909 R HN 0.107 nan 8.270 nan 0.000 0.697 910 L N -1.574 119.684 121.223 0.058 0.000 3.386 910 L HA 0.319 4.668 4.340 0.015 0.000 0.307 910 L C 1.343 178.263 176.870 0.084 0.000 1.235 910 L CA 0.244 55.115 54.840 0.052 0.000 1.056 910 L CB 0.031 42.113 42.059 0.038 0.000 1.453 910 L HN 0.106 nan 8.230 nan 0.000 0.615 911 T N -2.409 112.223 114.554 0.130 0.000 2.833 911 T HA -0.022 4.336 4.350 0.015 0.000 0.269 911 T C 1.750 176.477 174.700 0.045 0.000 1.054 911 T CA 1.417 63.617 62.100 0.166 0.000 1.135 911 T CB -0.360 68.666 68.868 0.264 0.000 0.869 911 T HN 0.407 nan 8.240 nan 0.000 0.466 912 A N 1.487 124.328 122.820 0.035 0.000 2.067 912 A HA 0.671 5.000 4.320 0.015 0.000 0.217 912 A C 1.612 179.251 177.584 0.092 0.000 1.156 912 A CA 0.451 52.439 52.037 -0.082 0.000 0.683 912 A CB -0.836 18.288 19.000 0.207 0.000 0.808 912 A HN 0.828 nan 8.150 nan 0.000 0.455 913 A N -1.048 121.783 122.820 0.018 0.000 2.407 913 A HA 0.456 4.785 4.320 0.015 0.000 0.248 913 A C 0.018 177.605 177.584 0.006 0.000 1.082 913 A CA -0.083 51.926 52.037 -0.047 0.000 0.785 913 A CB -0.090 18.878 19.000 -0.052 0.000 1.020 913 A HN 0.455 nan 8.150 nan 0.000 0.489 914 C N 0.551 119.847 119.300 -0.006 0.000 2.529 914 C HA 0.570 5.038 4.460 0.015 0.000 0.329 914 C C -0.180 174.905 174.990 0.160 0.000 1.194 914 C CA -0.449 58.622 59.018 0.088 0.000 1.779 914 C CB 0.915 28.735 27.740 0.133 0.000 2.322 914 C HN 0.786 nan 8.230 nan 0.000 0.500 915 F N 3.698 123.495 119.950 -0.255 0.000 2.421 915 F HA 0.500 5.035 4.527 0.014 0.000 0.358 915 F C 0.303 175.788 175.800 -0.525 0.000 1.115 915 F CA 0.959 58.675 58.000 -0.473 0.000 1.160 915 F CB -0.055 38.159 39.000 -1.310 0.000 1.123 915 F HN 0.627 nan 8.300 nan 0.000 0.508 916 D N 3.805 123.557 120.400 -1.080 0.000 2.865 916 D HA 0.188 4.837 4.640 0.015 0.000 0.343 916 D C -1.559 173.826 176.300 -1.525 0.000 1.372 916 D CA -0.746 52.518 54.000 -1.226 0.000 0.862 916 D CB 1.680 41.695 40.800 -1.308 0.000 1.425 916 D HN 0.532 nan 8.370 nan 0.000 0.501 917 R N 0.662 120.378 120.500 -1.305 0.000 2.229 917 R HA 0.490 4.839 4.340 0.015 0.000 0.328 917 R C -1.145 174.413 176.300 -1.236 0.000 1.009 917 R CA -0.409 55.073 56.100 -1.030 0.000 0.864 917 R CB 0.542 30.495 30.300 -0.580 0.000 1.085 917 R HN 0.257 nan 8.270 nan 0.000 0.453 918 W N 2.500 123.268 121.300 -0.887 0.000 2.719 918 W HA 0.415 5.084 4.660 0.014 0.000 0.352 918 W C -0.487 175.657 176.519 -0.626 0.000 1.085 918 W CA -0.598 56.179 57.345 -0.948 0.000 1.187 918 W CB 1.546 30.002 29.460 -1.673 0.000 1.417 918 W HN 0.350 nan 8.180 nan 0.000 0.557 919 D N 2.193 122.562 120.400 -0.053 0.000 2.591 919 D HA 0.366 5.015 4.640 0.015 0.000 0.222 919 D C -1.619 174.787 176.300 0.177 0.000 1.360 919 D CA -0.117 53.949 54.000 0.111 0.000 0.967 919 D CB 0.927 41.741 40.800 0.023 0.000 1.456 919 D HN 0.368 nan 8.370 nan 0.000 0.588 920 L N 2.893 124.293 121.223 0.294 0.000 2.327 920 L HA 0.578 4.927 4.340 0.015 0.000 0.258 920 L C -2.259 174.727 176.870 0.195 0.000 1.024 920 L CA -2.181 52.796 54.840 0.228 0.000 0.825 920 L CB 2.709 44.949 42.059 0.302 0.000 1.386 920 L HN 0.174 nan 8.230 nan 0.000 0.417 921 P HA 0.009 nan 4.420 nan 0.000 0.269 921 P C 0.560 177.937 177.300 0.128 0.000 1.209 921 P CA -0.304 62.867 63.100 0.118 0.000 0.776 921 P CB 0.885 32.635 31.700 0.082 0.000 0.876 922 L N 3.822 125.125 121.223 0.134 0.000 2.021 922 L HA -0.279 4.069 4.340 0.015 0.000 0.215 922 L C 2.307 179.228 176.870 0.085 0.000 1.074 922 L CA 2.895 57.805 54.840 0.116 0.000 0.760 922 L CB -1.662 40.480 42.059 0.139 0.000 0.889 922 L HN 0.478 nan 8.230 nan 0.000 0.433 923 S N -1.877 113.876 115.700 0.087 0.000 2.440 923 S HA -0.179 4.300 4.470 0.015 0.000 0.238 923 S C 1.596 176.272 174.600 0.126 0.000 1.010 923 S CA 1.134 59.405 58.200 0.119 0.000 0.972 923 S CB -0.811 62.455 63.200 0.109 0.000 0.774 923 S HN 0.539 nan 8.310 nan 0.000 0.501 924 D N 1.134 121.582 120.400 0.079 0.000 2.371 924 D HA 0.086 4.735 4.640 0.015 0.000 0.221 924 D C 1.197 177.502 176.300 0.009 0.000 0.986 924 D CA 0.614 54.638 54.000 0.040 0.000 0.899 924 D CB -0.130 40.699 40.800 0.048 0.000 0.902 924 D HN 0.395 nan 8.370 nan 0.000 0.530 925 M N -0.429 119.188 119.600 0.027 0.000 2.494 925 M HA 0.053 4.542 4.480 0.015 0.000 0.232 925 M C -0.045 176.261 176.300 0.010 0.000 1.137 925 M CA -0.046 55.225 55.300 -0.049 0.000 1.012 925 M CB -0.749 31.806 32.600 -0.075 0.000 1.567 925 M HN -0.049 nan 8.290 nan 0.000 0.486 926 Y N 0.125 120.393 120.300 -0.052 0.000 2.364 926 Y HA 0.482 5.041 4.550 0.015 0.000 0.340 926 Y C -0.721 175.147 175.900 -0.054 0.000 0.975 926 Y CA -0.876 57.215 58.100 -0.014 0.000 1.089 926 Y CB 1.265 39.781 38.460 0.093 0.000 1.192 926 Y HN -0.126 nan 8.280 nan 0.000 0.454 927 T N 9.117 123.247 114.554 -0.706 0.000 2.756 927 T HA 0.274 4.632 4.350 0.015 0.000 0.290 927 T C -2.641 171.361 174.700 -1.164 0.000 0.985 927 T CA -1.498 60.123 62.100 -0.798 0.000 0.955 927 T CB 1.017 69.499 68.868 -0.644 0.000 0.930 927 T HN 0.466 nan 8.240 nan 0.000 0.451 928 P HA 0.105 nan 4.420 nan 0.000 0.225 928 P C -0.578 176.695 177.300 -0.045 0.000 1.768 928 P CA -0.427 62.323 63.100 -0.583 0.000 0.943 928 P CB -0.762 30.724 31.700 -0.358 0.000 1.936 929 Y N -0.247 120.102 120.300 0.082 0.000 2.811 929 Y HA -0.112 4.446 4.550 0.014 0.000 0.334 929 Y C 2.267 178.285 175.900 0.197 0.000 1.247 929 Y CA -0.391 57.803 58.100 0.157 0.000 1.526 929 Y CB 0.528 38.966 38.460 -0.036 0.000 1.284 929 Y HN -0.072 nan 8.280 nan 0.000 0.586 930 V N 3.815 124.006 119.914 0.462 0.000 2.407 930 V HA -0.287 3.842 4.120 0.015 0.000 0.248 930 V C 0.447 176.732 176.094 0.319 0.000 1.055 930 V CA 1.332 63.863 62.300 0.385 0.000 1.049 930 V CB -0.530 31.547 31.823 0.424 0.000 0.662 930 V HN 0.569 nan 8.190 nan 0.000 0.455 931 F N 3.018 123.023 119.950 0.092 0.000 2.371 931 F HA 0.526 5.062 4.527 0.015 0.000 0.363 931 F C -2.571 173.235 175.800 0.010 0.000 1.122 931 F CA -3.403 54.584 58.000 -0.021 0.000 1.129 931 F CB 0.858 39.724 39.000 -0.222 0.000 1.173 931 F HN -0.018 nan 8.300 nan 0.000 0.489 932 P HA 0.263 nan 4.420 nan 0.000 0.271 932 P C -1.080 175.890 177.300 -0.551 0.000 1.216 932 P CA 0.070 62.912 63.100 -0.430 0.000 0.776 932 P CB 1.274 32.754 31.700 -0.366 0.000 0.881 933 S N 0.291 115.868 115.700 -0.204 0.000 2.661 933 S HA 0.456 4.935 4.470 0.015 0.000 0.268 933 S C -0.797 173.785 174.600 -0.030 0.000 1.162 933 S CA -0.960 57.158 58.200 -0.136 0.000 0.817 933 S CB 0.478 63.624 63.200 -0.091 0.000 1.141 933 S HN 0.329 nan 8.310 nan 0.000 0.477 934 E N 1.121 121.315 120.200 -0.010 0.000 2.568 934 E HA 0.320 4.678 4.350 0.015 0.000 0.262 934 E C -0.167 176.480 176.600 0.079 0.000 0.961 934 E CA 0.961 57.385 56.400 0.040 0.000 0.945 934 E CB -0.205 29.543 29.700 0.080 0.000 0.924 934 E HN 0.819 nan 8.360 nan 0.000 0.467 935 N N 1.311 120.096 118.700 0.141 0.000 3.046 935 N HA 0.465 5.214 4.740 0.015 0.000 0.243 935 N C 0.199 175.769 175.510 0.100 0.000 1.452 935 N CA -0.508 52.665 53.050 0.205 0.000 0.882 935 N CB 0.858 39.469 38.487 0.208 0.000 1.425 935 N HN 0.752 nan 8.380 nan 0.000 0.517 936 G N -1.248 107.577 108.800 0.042 0.000 2.189 936 G HA2 -0.279 3.690 3.960 0.015 0.000 0.267 936 G HA3 -0.279 3.690 3.960 0.015 0.000 0.267 936 G C -0.153 174.498 174.900 -0.415 0.000 0.975 936 G CA 0.502 45.506 45.100 -0.160 0.000 0.644 936 G HN 0.729 nan 8.290 nan 0.000 0.537 937 L N 0.027 120.934 121.223 -0.528 0.000 2.506 937 L HA 0.600 4.948 4.340 0.015 0.000 0.281 937 L C 0.742 177.030 176.870 -0.971 0.000 1.228 937 L CA 0.608 54.888 54.840 -0.933 0.000 0.850 937 L CB 0.497 41.654 42.059 -1.504 0.000 1.110 937 L HN 0.286 nan 8.230 nan 0.000 0.496 938 R N 2.435 122.272 120.500 -1.106 0.000 2.561 938 R HA 0.521 4.869 4.340 0.015 0.000 0.297 938 R C -0.942 175.002 176.300 -0.593 0.000 0.969 938 R CA -0.295 55.293 56.100 -0.853 0.000 0.879 938 R CB 1.441 31.101 30.300 -1.067 0.000 1.178 938 R HN 0.717 nan 8.270 nan 0.000 0.445 939 C N 0.254 119.363 119.300 -0.319 0.000 2.547 939 C HA 0.708 5.177 4.460 0.015 0.000 0.411 939 C C 1.234 176.205 174.990 -0.031 0.000 1.424 939 C CA -0.021 58.890 59.018 -0.180 0.000 1.848 939 C CB 1.319 28.978 27.740 -0.136 0.000 2.062 939 C HN 1.022 nan 8.230 nan 0.000 0.504 940 G N 1.655 110.450 108.800 -0.008 0.000 2.341 940 G HA2 -0.186 3.783 3.960 0.015 0.000 0.292 940 G HA3 -0.186 3.783 3.960 0.015 0.000 0.292 940 G C -0.058 174.910 174.900 0.113 0.000 1.021 940 G CA 0.646 45.792 45.100 0.077 0.000 0.905 940 G HN 0.790 nan 8.290 nan 0.000 0.508 941 T N -0.086 114.412 114.554 -0.094 0.000 2.799 941 T HA 0.536 4.895 4.350 0.015 0.000 0.286 941 T C 1.288 175.692 174.700 -0.493 0.000 0.973 941 T CA -0.640 61.336 62.100 -0.207 0.000 1.035 941 T CB 1.457 70.211 68.868 -0.190 0.000 0.932 941 T HN 0.209 nan 8.240 nan 0.000 0.469 942 R N 1.484 121.900 120.500 -0.140 0.000 2.279 942 R HA 0.300 4.649 4.340 0.015 0.000 0.195 942 R C 0.483 176.813 176.300 0.049 0.000 0.905 942 R CA 0.208 56.293 56.100 -0.024 0.000 1.044 942 R CB 0.435 30.841 30.300 0.177 0.000 1.056 942 R HN 0.699 nan 8.270 nan 0.000 0.535 943 E N 0.499 120.732 120.200 0.054 0.000 2.321 943 E HA 0.313 4.671 4.350 0.015 0.000 0.281 943 E C -1.876 174.857 176.600 0.222 0.000 0.910 943 E CA -0.631 55.885 56.400 0.193 0.000 0.770 943 E CB 1.493 31.274 29.700 0.135 0.000 1.225 943 E HN -0.096 nan 8.360 nan 0.000 0.417 944 L N 4.049 125.468 121.223 0.326 0.000 2.385 944 L HA 0.598 4.946 4.340 0.015 0.000 0.273 944 L C -1.782 175.281 176.870 0.321 0.000 0.990 944 L CA -0.434 54.544 54.840 0.230 0.000 0.821 944 L CB 1.753 43.831 42.059 0.031 0.000 1.279 944 L HN 0.467 nan 8.230 nan 0.000 0.412 945 N N 4.452 123.313 118.700 0.268 0.000 2.372 945 N HA 0.403 5.151 4.740 0.015 0.000 0.285 945 N C -1.938 173.795 175.510 0.371 0.000 1.008 945 N CA -0.225 52.975 53.050 0.251 0.000 0.880 945 N CB 2.078 40.658 38.487 0.155 0.000 1.239 945 N HN 0.620 nan 8.380 nan 0.000 0.484 946 Y N 1.203 121.631 120.300 0.212 0.000 2.323 946 Y HA 0.403 4.962 4.550 0.015 0.000 0.322 946 Y C 0.607 176.603 175.900 0.160 0.000 1.133 946 Y CA 0.102 58.335 58.100 0.220 0.000 1.093 946 Y CB 0.578 39.231 38.460 0.322 0.000 1.203 946 Y HN 0.846 nan 8.280 nan 0.000 0.427 947 G N 6.420 115.025 108.800 -0.325 0.000 2.583 947 G HA2 -0.306 3.663 3.960 0.015 0.000 0.292 947 G HA3 -0.306 3.663 3.960 0.015 0.000 0.292 947 G C -1.755 173.015 174.900 -0.218 0.000 1.203 947 G CA 0.135 45.033 45.100 -0.336 0.000 0.987 947 G HN 0.579 nan 8.290 nan 0.000 0.554 948 P HA 0.166 nan 4.420 nan 0.000 0.245 948 P C 0.341 177.417 177.300 -0.373 0.000 1.206 948 P CA 0.767 63.656 63.100 -0.351 0.000 0.781 948 P CB 0.020 31.438 31.700 -0.469 0.000 0.994 949 H N 0.321 119.321 119.070 -0.116 0.000 2.482 949 H HA 0.457 5.022 4.556 0.015 0.000 0.344 949 H C -0.037 174.976 175.328 -0.525 0.000 1.151 949 H CA -0.015 55.821 56.048 -0.355 0.000 1.300 949 H CB 1.509 30.861 29.762 -0.682 0.000 1.494 949 H HN 0.058 nan 8.280 nan 0.000 0.542 950 Q N 2.229 121.711 119.800 -0.530 0.000 2.263 950 Q HA 0.205 4.554 4.340 0.015 0.000 0.266 950 Q C -1.632 174.061 176.000 -0.511 0.000 1.002 950 Q CA -0.662 54.936 55.803 -0.341 0.000 0.790 950 Q CB 1.877 30.574 28.738 -0.067 0.000 1.272 950 Q HN 0.565 nan 8.270 nan 0.000 0.435 951 W N 3.926 125.171 121.300 -0.091 0.000 2.573 951 W HA 0.582 5.251 4.660 0.015 0.000 0.326 951 W C -0.062 176.531 176.519 0.123 0.000 1.049 951 W CA -0.675 56.590 57.345 -0.133 0.000 1.220 951 W CB 1.905 31.093 29.460 -0.454 0.000 1.373 951 W HN 0.538 nan 8.180 nan 0.000 0.507 952 R N 0.485 121.214 120.500 0.381 0.000 2.807 952 R HA 0.785 5.133 4.340 0.015 0.000 0.276 952 R C 0.187 176.772 176.300 0.474 0.000 0.979 952 R CA -0.440 55.913 56.100 0.421 0.000 0.928 952 R CB 2.418 32.871 30.300 0.255 0.000 1.191 952 R HN 0.738 nan 8.270 nan 0.000 0.471 953 G N 0.491 109.573 108.800 0.471 0.000 2.591 953 G HA2 0.017 3.985 3.960 0.015 0.000 0.104 953 G HA3 0.017 3.985 3.960 0.015 0.000 0.104 953 G C -1.736 173.315 174.900 0.251 0.000 1.097 953 G CA -0.287 45.056 45.100 0.405 0.000 1.076 953 G HN 0.500 nan 8.290 nan 0.000 0.485 954 D N -0.010 120.546 120.400 0.259 0.000 2.527 954 D HA 0.550 5.198 4.640 0.015 0.000 0.242 954 D C -0.751 175.577 176.300 0.047 0.000 1.285 954 D CA -0.440 53.589 54.000 0.048 0.000 0.886 954 D CB 0.035 40.889 40.800 0.089 0.000 1.402 954 D HN 0.562 nan 8.370 nan 0.000 0.528 955 F N -0.365 119.580 119.950 -0.007 0.000 2.675 955 F HA 0.752 5.288 4.527 0.015 0.000 0.324 955 F C -0.821 174.945 175.800 -0.056 0.000 1.106 955 F CA -1.020 56.917 58.000 -0.106 0.000 0.970 955 F CB 0.795 39.730 39.000 -0.110 0.000 1.385 955 F HN -0.198 nan 8.300 nan 0.000 0.489 956 Q N 1.614 121.499 119.800 0.140 0.000 2.257 956 Q HA 0.657 5.006 4.340 0.015 0.000 0.262 956 Q C -1.170 174.930 176.000 0.168 0.000 0.997 956 Q CA -0.554 55.248 55.803 -0.002 0.000 0.873 956 Q CB 2.574 31.206 28.738 -0.177 0.000 1.312 956 Q HN 0.864 nan 8.270 nan 0.000 0.450 957 F N -1.319 118.526 119.950 -0.176 0.000 2.713 957 F HA 0.704 5.240 4.527 0.015 0.000 0.311 957 F C -1.595 173.998 175.800 -0.345 0.000 1.141 957 F CA -1.147 56.714 58.000 -0.232 0.000 0.939 957 F CB 1.418 40.315 39.000 -0.172 0.000 1.325 957 F HN 0.576 nan 8.300 nan 0.000 0.453 958 N N 1.643 120.186 118.700 -0.262 0.000 2.357 958 N HA 0.771 5.519 4.740 0.015 0.000 0.284 958 N C -2.085 173.379 175.510 -0.077 0.000 1.236 958 N CA -0.773 52.100 53.050 -0.296 0.000 0.774 958 N CB 2.714 41.031 38.487 -0.283 0.000 1.534 958 N HN 1.131 nan 8.380 nan 0.000 0.478 959 I N 0.308 120.821 120.570 -0.095 0.000 2.649 959 I HA 0.639 4.818 4.170 0.015 0.000 0.289 959 I C -1.515 174.534 176.117 -0.112 0.000 1.222 959 I CA 0.054 61.269 61.300 -0.141 0.000 1.046 959 I CB 1.346 39.191 38.000 -0.259 0.000 1.272 959 I HN 1.065 nan 8.210 nan 0.000 0.425 960 S N 6.210 121.859 115.700 -0.084 0.000 2.655 960 S HA 0.509 4.988 4.470 0.015 0.000 0.266 960 S C -0.257 174.266 174.600 -0.129 0.000 1.149 960 S CA -0.964 57.183 58.200 -0.089 0.000 0.818 960 S CB 1.713 64.921 63.200 0.014 0.000 1.130 960 S HN 0.625 nan 8.310 nan 0.000 0.476 961 R N -0.118 120.149 120.500 -0.388 0.000 2.320 961 R HA 0.263 4.612 4.340 0.015 0.000 0.211 961 R C -0.890 175.111 176.300 -0.499 0.000 0.931 961 R CA 0.318 56.156 56.100 -0.436 0.000 1.071 961 R CB -1.081 28.832 30.300 -0.645 0.000 1.025 961 R HN 0.658 nan 8.270 nan 0.000 0.495 962 Y N -0.047 120.219 120.300 -0.057 0.000 2.376 962 Y HA 0.220 4.778 4.550 0.015 0.000 0.340 962 Y C 0.690 176.373 175.900 -0.360 0.000 0.965 962 Y CA -1.150 56.829 58.100 -0.202 0.000 1.078 962 Y CB 1.429 39.711 38.460 -0.297 0.000 1.193 962 Y HN -0.106 nan 8.280 nan 0.000 0.452 963 S N 1.682 117.036 115.700 -0.576 0.000 2.593 963 S HA 0.048 4.526 4.470 0.015 0.000 0.269 963 S C 0.898 175.138 174.600 -0.600 0.000 1.334 963 S CA -0.750 56.722 58.200 -1.213 0.000 1.015 963 S CB 1.170 63.540 63.200 -1.382 0.000 0.912 963 S HN 0.738 nan 8.310 nan 0.000 0.541 964 Q N 0.924 120.393 119.800 -0.551 0.000 2.135 964 Q HA -0.231 4.117 4.340 0.015 0.000 0.204 964 Q C 2.211 178.061 176.000 -0.249 0.000 0.981 964 Q CA 2.058 57.683 55.803 -0.297 0.000 0.856 964 Q CB -0.575 28.025 28.738 -0.230 0.000 0.902 964 Q HN 0.979 nan 8.270 nan 0.000 0.425 965 Q N 0.582 120.199 119.800 -0.304 0.000 2.050 965 Q HA -0.224 4.125 4.340 0.015 0.000 0.202 965 Q C 2.161 178.048 176.000 -0.189 0.000 0.980 965 Q CA 1.621 57.303 55.803 -0.202 0.000 0.840 965 Q CB -0.017 28.612 28.738 -0.181 0.000 0.898 965 Q HN 0.406 nan 8.270 nan 0.000 0.424 966 Q N -0.026 119.633 119.800 -0.235 0.000 2.084 966 Q HA -0.175 4.174 4.340 0.015 0.000 0.202 966 Q C 2.194 178.065 176.000 -0.215 0.000 0.978 966 Q CA 1.397 57.077 55.803 -0.204 0.000 0.844 966 Q CB -0.077 28.514 28.738 -0.245 0.000 0.898 966 Q HN 0.485 nan 8.270 nan 0.000 0.426 967 L N 0.020 121.106 121.223 -0.228 0.000 2.046 967 L HA -0.204 4.144 4.340 0.015 0.000 0.208 967 L C 2.664 179.391 176.870 -0.238 0.000 1.077 967 L CA 1.159 55.857 54.840 -0.238 0.000 0.747 967 L CB -0.378 41.571 42.059 -0.182 0.000 0.896 967 L HN 0.394 nan 8.230 nan 0.000 0.432 968 M N -0.513 118.979 119.600 -0.181 0.000 2.319 968 M HA -0.152 4.337 4.480 0.015 0.000 0.265 968 M C 1.455 177.679 176.300 -0.127 0.000 1.068 968 M CA 1.590 56.801 55.300 -0.148 0.000 1.118 968 M CB 0.134 32.656 32.600 -0.130 0.000 1.395 968 M HN 0.208 nan 8.290 nan 0.000 0.435 969 E N -0.589 119.535 120.200 -0.126 0.000 2.474 969 E HA 0.073 4.432 4.350 0.015 0.000 0.195 969 E C -0.444 176.108 176.600 -0.079 0.000 1.039 969 E CA 0.013 56.364 56.400 -0.081 0.000 0.881 969 E CB 0.612 30.272 29.700 -0.066 0.000 0.970 969 E HN 0.267 nan 8.360 nan 0.000 0.486 970 T N 0.058 114.527 114.554 -0.142 0.000 2.797 970 T HA 0.100 4.459 4.350 0.015 0.000 0.279 970 T C 0.962 175.567 174.700 -0.158 0.000 0.991 970 T CA -0.489 61.530 62.100 -0.135 0.000 0.979 970 T CB 1.687 70.441 68.868 -0.191 0.000 0.943 970 T HN 0.017 nan 8.240 nan 0.000 0.444 971 S N 1.830 117.541 115.700 0.017 0.000 2.503 971 S HA 0.108 4.587 4.470 0.015 0.000 0.217 971 S C 0.230 174.908 174.600 0.131 0.000 0.999 971 S CA 0.227 58.532 58.200 0.175 0.000 0.914 971 S CB -0.176 63.261 63.200 0.396 0.000 0.782 971 S HN 0.734 nan 8.310 nan 0.000 0.520 972 H N 0.492 119.581 119.070 0.031 0.000 2.771 972 H HA 0.491 5.056 4.556 0.015 0.000 0.361 972 H C 0.838 176.150 175.328 -0.028 0.000 1.108 972 H CA -0.744 55.371 56.048 0.112 0.000 1.201 972 H CB 1.545 31.347 29.762 0.066 0.000 1.681 972 H HN 0.137 nan 8.280 nan 0.000 0.534 973 R N 1.792 122.408 120.500 0.193 0.000 2.152 973 R HA -0.157 4.191 4.340 0.015 0.000 0.232 973 R C 1.204 177.527 176.300 0.038 0.000 1.117 973 R CA 1.778 57.925 56.100 0.079 0.000 0.981 973 R CB -0.404 29.992 30.300 0.160 0.000 0.870 973 R HN 0.757 nan 8.270 nan 0.000 0.451 974 H N 1.207 120.291 119.070 0.023 0.000 2.521 974 H HA 0.003 4.567 4.556 0.014 0.000 0.286 974 H C 1.463 176.720 175.328 -0.119 0.000 1.034 974 H CA 0.853 56.871 56.048 -0.049 0.000 1.278 974 H CB -0.192 29.526 29.762 -0.073 0.000 1.386 974 H HN 0.324 nan 8.280 nan 0.000 0.567 975 L N 0.897 121.756 121.223 -0.606 0.000 2.591 975 L HA 0.199 4.547 4.340 0.015 0.000 0.228 975 L C 0.656 177.392 176.870 -0.224 0.000 1.133 975 L CA -0.154 54.404 54.840 -0.470 0.000 0.880 975 L CB 0.028 41.793 42.059 -0.491 0.000 1.033 975 L HN 0.037 nan 8.230 nan 0.000 0.450 976 L N 0.923 122.011 121.223 -0.226 0.000 2.439 976 L HA 0.150 4.498 4.340 0.015 0.000 0.269 976 L C 0.243 177.098 176.870 -0.026 0.000 1.179 976 L CA -0.106 54.576 54.840 -0.263 0.000 0.828 976 L CB 0.347 42.001 42.059 -0.675 0.000 1.106 976 L HN 0.203 nan 8.230 nan 0.000 0.467 977 H N 1.587 120.706 119.070 0.082 0.000 2.600 977 H HA 0.614 5.179 4.556 0.015 0.000 0.357 977 H C -0.787 174.653 175.328 0.187 0.000 1.106 977 H CA -1.238 54.878 56.048 0.115 0.000 1.193 977 H CB 1.372 31.153 29.762 0.033 0.000 1.594 977 H HN 0.679 nan 8.280 nan 0.000 0.526 978 A N 3.636 126.553 122.820 0.162 0.000 2.511 978 A HA 0.105 4.433 4.320 0.015 0.000 0.242 978 A C 0.357 177.985 177.584 0.073 0.000 1.069 978 A CA -0.220 51.754 52.037 -0.106 0.000 0.763 978 A CB 0.028 18.940 19.000 -0.147 0.000 1.001 978 A HN 0.856 nan 8.150 nan 0.000 0.498 979 E N 0.870 121.079 120.200 0.015 0.000 2.322 979 E HA 0.206 4.565 4.350 0.015 0.000 0.257 979 E C -0.118 176.528 176.600 0.077 0.000 1.155 979 E CA -0.704 55.794 56.400 0.163 0.000 0.936 979 E CB 0.724 30.590 29.700 0.277 0.000 1.130 979 E HN 0.792 nan 8.360 nan 0.000 0.465 980 E N 0.230 120.472 120.200 0.070 0.000 2.384 980 E HA 0.208 4.567 4.350 0.015 0.000 0.266 980 E C 0.210 176.775 176.600 -0.058 0.000 1.012 980 E CA 0.505 56.905 56.400 0.000 0.000 0.901 980 E CB 0.373 30.068 29.700 -0.008 0.000 0.967 980 E HN 0.668 nan 8.360 nan 0.000 0.435 981 G N 2.816 111.583 108.800 -0.055 0.000 2.804 981 G HA2 -0.227 3.741 3.960 0.015 0.000 0.230 981 G HA3 -0.227 3.741 3.960 0.015 0.000 0.230 981 G C -0.581 174.261 174.900 -0.097 0.000 1.386 981 G CA -0.222 44.828 45.100 -0.084 0.000 0.875 981 G HN 0.578 nan 8.290 nan 0.000 0.557 982 T N 0.517 115.007 114.554 -0.107 0.000 2.786 982 T HA 0.486 4.845 4.350 0.015 0.000 0.283 982 T C -0.442 174.122 174.700 -0.227 0.000 0.992 982 T CA -0.082 61.960 62.100 -0.095 0.000 0.954 982 T CB 1.098 69.999 68.868 0.055 0.000 0.934 982 T HN 0.528 nan 8.240 nan 0.000 0.440 983 W N 3.466 124.682 121.300 -0.139 0.000 2.345 983 W HA 0.521 5.189 4.660 0.015 0.000 0.308 983 W C -0.167 176.228 176.519 -0.206 0.000 1.273 983 W CA -0.697 56.561 57.345 -0.146 0.000 1.243 983 W CB 0.536 29.921 29.460 -0.125 0.000 1.260 983 W HN 0.368 nan 8.180 nan 0.000 0.509 984 L N 6.027 127.235 121.223 -0.025 0.000 2.305 984 L HA 0.478 4.826 4.340 0.015 0.000 0.284 984 L C -0.828 175.946 176.870 -0.159 0.000 1.013 984 L CA -0.382 54.329 54.840 -0.214 0.000 0.819 984 L CB 0.626 42.407 42.059 -0.464 0.000 1.227 984 L HN 0.310 nan 8.230 nan 0.000 0.417 985 N N 6.959 125.560 118.700 -0.165 0.000 2.443 985 N HA 0.467 5.215 4.740 0.015 0.000 0.269 985 N C -1.192 174.186 175.510 -0.220 0.000 0.985 985 N CA -0.233 52.718 53.050 -0.164 0.000 0.921 985 N CB 2.255 40.672 38.487 -0.115 0.000 1.195 985 N HN 0.546 nan 8.380 nan 0.000 0.492 986 I N 1.847 122.239 120.570 -0.297 0.000 2.410 986 I HA 0.235 4.414 4.170 0.015 0.000 0.286 986 I C -0.686 175.250 176.117 -0.302 0.000 1.009 986 I CA -0.622 60.471 61.300 -0.344 0.000 1.111 986 I CB 1.608 39.201 38.000 -0.678 0.000 1.262 986 I HN 0.181 nan 8.210 nan 0.000 0.443 987 D N 4.371 124.633 120.400 -0.230 0.000 2.185 987 D HA 0.284 4.933 4.640 0.015 0.000 0.247 987 D C 0.896 176.887 176.300 -0.515 0.000 1.027 987 D CA -0.268 53.521 54.000 -0.352 0.000 0.861 987 D CB 2.499 43.193 40.800 -0.176 0.000 1.202 987 D HN 0.688 nan 8.370 nan 0.000 0.453 988 G N 0.714 108.898 108.800 -1.026 0.000 2.430 988 G HA2 0.019 3.988 3.960 0.015 0.000 0.216 988 G HA3 0.019 3.988 3.960 0.015 0.000 0.216 988 G C 0.062 174.231 174.900 -1.218 0.000 1.146 988 G CA 0.525 44.884 45.100 -1.235 0.000 0.793 988 G HN 0.357 nan 8.290 nan 0.000 0.537 989 F N -2.061 117.670 119.950 -0.366 0.000 2.619 989 F HA 0.593 5.129 4.527 0.014 0.000 0.308 989 F C -0.610 175.070 175.800 -0.199 0.000 1.097 989 F CA -1.237 56.629 58.000 -0.224 0.000 0.953 989 F CB 2.046 40.842 39.000 -0.341 0.000 1.287 989 F HN 0.021 nan 8.300 nan 0.000 0.446 990 H N 1.741 120.812 119.070 0.002 0.000 2.865 990 H HA 0.528 5.093 4.556 0.014 0.000 0.362 990 H C -0.786 174.564 175.328 0.037 0.000 1.114 990 H CA -0.848 55.178 56.048 -0.037 0.000 1.208 990 H CB 1.822 31.548 29.762 -0.060 0.000 1.727 990 H HN 0.783 nan 8.280 nan 0.000 0.534 991 M N 3.322 122.869 119.600 -0.089 0.000 2.245 991 M HA 0.256 4.745 4.480 0.015 0.000 0.330 991 M C 0.566 176.985 176.300 0.197 0.000 1.098 991 M CA 0.423 55.744 55.300 0.035 0.000 1.172 991 M CB 0.343 32.861 32.600 -0.136 0.000 1.467 991 M HN 0.841 nan 8.290 nan 0.000 0.454 992 G N 2.687 111.581 108.800 0.156 0.000 2.699 992 G HA2 0.290 4.259 3.960 0.015 0.000 0.246 992 G HA3 0.290 4.259 3.960 0.015 0.000 0.246 992 G C 0.573 175.455 174.900 -0.029 0.000 1.219 992 G CA -0.384 44.740 45.100 0.039 0.000 0.866 992 G HN 0.967 nan 8.290 nan 0.000 0.572 993 I N -1.728 118.770 120.570 -0.120 0.000 3.854 993 I HA 0.421 4.600 4.170 0.015 0.000 0.312 993 I C 1.199 177.238 176.117 -0.129 0.000 1.273 993 I CA 0.384 61.571 61.300 -0.188 0.000 1.298 993 I CB -0.551 37.228 38.000 -0.370 0.000 1.071 993 I HN 0.934 nan 8.210 nan 0.000 0.428 994 G N 1.586 110.333 108.800 -0.089 0.000 2.697 994 G HA2 0.034 4.003 3.960 0.015 0.000 0.240 994 G HA3 0.034 4.003 3.960 0.015 0.000 0.240 994 G C 0.528 175.414 174.900 -0.024 0.000 1.346 994 G CA 0.125 45.209 45.100 -0.025 0.000 0.887 994 G HN 1.316 nan 8.290 nan 0.000 0.569 995 G N -2.455 106.348 108.800 0.005 0.000 2.902 995 G HA2 0.025 3.993 3.960 0.015 0.000 0.215 995 G HA3 0.025 3.993 3.960 0.015 0.000 0.215 995 G C 0.656 175.608 174.900 0.087 0.000 0.976 995 G CA 0.988 46.102 45.100 0.024 0.000 0.794 995 G HN 0.921 nan 8.290 nan 0.000 0.557 996 D N 1.287 121.756 120.400 0.114 0.000 2.190 996 D HA 0.080 4.729 4.640 0.015 0.000 0.200 996 D C 0.982 177.312 176.300 0.050 0.000 0.992 996 D CA 2.118 56.250 54.000 0.219 0.000 0.854 996 D CB 0.160 41.094 40.800 0.223 0.000 0.936 996 D HN 0.782 nan 8.370 nan 0.000 0.462 997 D N -3.296 116.927 120.400 -0.295 0.000 2.665 997 D HA 0.278 4.927 4.640 0.015 0.000 0.287 997 D C -0.888 174.898 176.300 -0.856 0.000 1.266 997 D CA -0.732 52.668 54.000 -1.000 0.000 0.830 997 D CB 0.814 40.454 40.800 -1.933 0.000 1.356 997 D HN -0.315 nan 8.370 nan 0.000 0.437 998 S N -0.401 114.617 115.700 -1.135 0.000 2.581 998 S HA 0.283 4.761 4.470 0.015 0.000 0.245 998 S C -0.673 173.945 174.600 0.030 0.000 1.115 998 S CA -0.650 57.370 58.200 -0.299 0.000 1.093 998 S CB -0.557 62.677 63.200 0.058 0.000 0.853 998 S HN 0.598 nan 8.310 nan 0.000 0.479 999 W N -1.037 120.190 121.300 -0.122 0.000 1.807 999 W HA 0.628 5.296 4.660 0.014 0.000 0.251 999 W C -0.046 176.418 176.519 -0.092 0.000 0.848 999 W CA -0.520 56.759 57.345 -0.110 0.000 1.157 999 W CB -0.021 29.310 29.460 -0.214 0.000 0.992 999 W HN 0.146 nan 8.180 nan 0.000 0.506 1000 S N 1.039 116.613 115.700 -0.209 0.000 2.543 1000 S HA 0.504 4.982 4.470 0.015 0.000 0.271 1000 S C -2.830 171.699 174.600 -0.118 0.000 1.148 1000 S CA -1.227 56.900 58.200 -0.122 0.000 0.914 1000 S CB 1.012 64.153 63.200 -0.099 0.000 1.096 1000 S HN -0.239 nan 8.310 nan 0.000 0.471 1001 P HA 0.031 nan 4.420 nan 0.000 0.257 1001 P C 0.004 177.341 177.300 0.061 0.000 1.162 1001 P CA 0.461 63.564 63.100 0.006 0.000 0.762 1001 P CB 0.339 31.895 31.700 -0.240 0.000 0.753 1002 S N 0.817 116.594 115.700 0.130 0.000 2.780 1002 S HA 0.149 4.628 4.470 0.015 0.000 0.248 1002 S C 0.217 174.902 174.600 0.141 0.000 1.036 1002 S CA -0.334 57.916 58.200 0.083 0.000 1.061 1002 S CB -0.189 63.008 63.200 -0.005 0.000 1.037 1002 S HN 0.119 nan 8.310 nan 0.000 0.584 1003 V N 2.752 122.801 119.914 0.226 0.000 2.488 1003 V HA 0.384 4.513 4.120 0.015 0.000 0.277 1003 V C 0.804 177.055 176.094 0.262 0.000 1.046 1003 V CA -0.321 62.099 62.300 0.200 0.000 0.986 1003 V CB 1.096 32.993 31.823 0.123 0.000 0.989 1003 V HN 0.497 nan 8.190 nan 0.000 0.475 1004 S N 3.804 119.671 115.700 0.278 0.000 2.568 1004 S HA 0.301 4.780 4.470 0.015 0.000 0.282 1004 S C 1.548 176.299 174.600 0.253 0.000 1.338 1004 S CA 0.083 58.441 58.200 0.264 0.000 1.045 1004 S CB 1.126 64.516 63.200 0.317 0.000 0.873 1004 S HN 0.999 nan 8.310 nan 0.000 0.516 1005 A N 3.595 126.518 122.820 0.172 0.000 1.927 1005 A HA -0.183 4.146 4.320 0.015 0.000 0.220 1005 A C 2.019 179.648 177.584 0.075 0.000 1.185 1005 A CA 2.026 54.150 52.037 0.145 0.000 0.639 1005 A CB -0.781 18.276 19.000 0.095 0.000 0.820 1005 A HN 0.966 nan 8.150 nan 0.000 0.451 1006 E N -0.831 119.354 120.200 -0.025 0.000 2.401 1006 E HA -0.148 4.211 4.350 0.015 0.000 0.199 1006 E C 0.862 177.236 176.600 -0.378 0.000 1.023 1006 E CA 0.922 57.185 56.400 -0.228 0.000 0.859 1006 E CB -0.471 29.007 29.700 -0.370 0.000 0.780 1006 E HN 0.687 nan 8.360 nan 0.000 0.523 1007 F N 1.048 121.055 119.950 0.093 0.000 2.653 1007 F HA 0.270 4.806 4.527 0.014 0.000 0.304 1007 F C 0.894 176.741 175.800 0.079 0.000 1.092 1007 F CA -0.468 57.588 58.000 0.094 0.000 1.279 1007 F CB 0.540 39.595 39.000 0.091 0.000 1.044 1007 F HN -0.186 nan 8.300 nan 0.000 0.564 1008 Q N 1.170 121.088 119.800 0.198 0.000 2.230 1008 Q HA 0.413 4.762 4.340 0.015 0.000 0.248 1008 Q C -0.222 175.822 176.000 0.073 0.000 0.915 1008 Q CA -0.555 55.347 55.803 0.165 0.000 0.900 1008 Q CB 1.903 30.831 28.738 0.316 0.000 1.229 1008 Q HN 0.239 nan 8.270 nan 0.000 0.439 1009 L N 2.363 123.615 121.223 0.048 0.000 2.399 1009 L HA 0.114 4.463 4.340 0.015 0.000 0.257 1009 L C 0.603 177.438 176.870 -0.058 0.000 1.236 1009 L CA -0.066 54.789 54.840 0.025 0.000 1.144 1009 L CB -0.394 41.568 42.059 -0.162 0.000 1.379 1009 L HN 0.683 nan 8.230 nan 0.000 0.414 1010 S N -1.110 114.452 115.700 -0.230 0.000 2.554 1010 S HA 0.157 4.635 4.470 0.015 0.000 0.226 1010 S C 1.643 176.147 174.600 -0.161 0.000 0.980 1010 S CA 0.164 58.044 58.200 -0.533 0.000 0.939 1010 S CB 0.749 63.479 63.200 -0.784 0.000 0.832 1010 S HN 0.515 nan 8.310 nan 0.000 0.486 1011 A N 1.524 124.281 122.820 -0.105 0.000 2.121 1011 A HA 0.427 4.756 4.320 0.015 0.000 0.218 1011 A C 2.127 179.559 177.584 -0.254 0.000 1.154 1011 A CA 1.257 53.115 52.037 -0.298 0.000 0.679 1011 A CB -1.293 17.302 19.000 -0.675 0.000 0.795 1011 A HN 1.465 nan 8.150 nan 0.000 0.458 1012 G N -1.510 107.238 108.800 -0.086 0.000 2.498 1012 G HA2 -0.309 3.660 3.960 0.015 0.000 0.229 1012 G HA3 -0.309 3.660 3.960 0.015 0.000 0.229 1012 G C 0.450 175.340 174.900 -0.017 0.000 1.156 1012 G CA 0.586 45.687 45.100 0.000 0.000 0.680 1012 G HN 0.701 nan 8.290 nan 0.000 0.512 1013 R N -0.520 119.853 120.500 -0.212 0.000 2.561 1013 R HA 0.721 5.069 4.340 0.015 0.000 0.297 1013 R C -1.465 174.595 176.300 -0.401 0.000 0.969 1013 R CA -0.525 55.492 56.100 -0.138 0.000 0.879 1013 R CB 1.442 31.702 30.300 -0.067 0.000 1.178 1013 R HN 0.275 nan 8.270 nan 0.000 0.445 1014 Y N 0.395 120.691 120.300 -0.008 0.000 2.512 1014 Y HA 0.388 4.947 4.550 0.014 0.000 0.348 1014 Y C -0.493 175.553 175.900 0.244 0.000 0.990 1014 Y CA -0.785 57.278 58.100 -0.062 0.000 1.033 1014 Y CB 2.223 40.521 38.460 -0.270 0.000 1.259 1014 Y HN 0.585 nan 8.280 nan 0.000 0.461 1015 H N 2.680 122.029 119.070 0.465 0.000 2.679 1015 H HA 0.604 5.169 4.556 0.014 0.000 0.360 1015 H C -1.733 173.986 175.328 0.653 0.000 1.105 1015 H CA -0.866 55.446 56.048 0.439 0.000 1.196 1015 H CB 1.189 31.100 29.762 0.247 0.000 1.636 1015 H HN 0.576 nan 8.280 nan 0.000 0.531 1016 Y N 1.510 121.585 120.300 -0.374 0.000 2.638 1016 Y HA 0.497 5.055 4.550 0.015 0.000 0.335 1016 Y C -1.976 173.707 175.900 -0.361 0.000 1.155 1016 Y CA -1.138 56.819 58.100 -0.237 0.000 1.046 1016 Y CB 1.433 39.869 38.460 -0.041 0.000 1.303 1016 Y HN 0.749 nan 8.280 nan 0.000 0.460 1017 Q N 2.913 122.691 119.800 -0.036 0.000 2.391 1017 Q HA 0.767 5.116 4.340 0.015 0.000 0.279 1017 Q C -1.872 174.207 176.000 0.131 0.000 1.028 1017 Q CA -1.163 54.614 55.803 -0.043 0.000 0.836 1017 Q CB 3.282 32.032 28.738 0.020 0.000 1.414 1017 Q HN 1.030 nan 8.270 nan 0.000 0.397 1018 L N -1.956 119.330 121.223 0.104 0.000 2.479 1018 L HA 0.923 5.272 4.340 0.015 0.000 0.255 1018 L C -1.336 175.641 176.870 0.179 0.000 1.026 1018 L CA -1.218 53.725 54.840 0.171 0.000 0.842 1018 L CB 2.099 44.241 42.059 0.140 0.000 1.444 1018 L HN 0.416 nan 8.230 nan 0.000 0.409 1019 V N 0.695 120.742 119.914 0.221 0.000 2.448 1019 V HA 0.449 4.578 4.120 0.015 0.000 0.295 1019 V C -1.252 175.011 176.094 0.282 0.000 1.025 1019 V CA -0.131 62.309 62.300 0.233 0.000 0.859 1019 V CB 1.683 33.618 31.823 0.187 0.000 0.988 1019 V HN 0.758 nan 8.190 nan 0.000 0.431 1020 W N 6.842 128.201 121.300 0.098 0.000 2.475 1020 W HA 0.732 5.401 4.660 0.015 0.000 0.317 1020 W C -0.365 176.163 176.519 0.016 0.000 1.046 1020 W CA -1.254 56.077 57.345 -0.023 0.000 1.215 1020 W CB 1.486 30.988 29.460 0.070 0.000 1.335 1020 W HN 0.873 nan 8.180 nan 0.000 0.471 1021 C N 4.239 123.779 119.300 0.401 0.000 3.171 1021 C HA 0.800 5.269 4.460 0.015 0.000 0.308 1021 C C -0.682 174.428 174.990 0.201 0.000 1.334 1021 C CA -0.887 58.291 59.018 0.266 0.000 1.473 1021 C CB 1.458 29.302 27.740 0.174 0.000 1.866 1021 C HN 0.679 nan 8.230 nan 0.000 0.465 1022 Q N 2.074 121.947 119.800 0.122 0.000 2.368 1022 Q HA 0.822 5.171 4.340 0.015 0.000 0.263 1022 Q C -0.520 175.475 176.000 -0.007 0.000 1.009 1022 Q CA 0.194 56.012 55.803 0.026 0.000 0.818 1022 Q CB 0.663 29.382 28.738 -0.032 0.000 1.239 1022 Q HN 0.942 nan 8.270 nan 0.000 0.464 1023 K N 0.000 120.379 120.400 -0.036 0.000 2.780 1023 K HA 0.000 4.329 4.320 0.015 0.000 0.191 1023 K CA 0.000 56.269 56.287 -0.029 0.000 0.838 1023 K CB 0.000 32.484 32.500 -0.026 0.000 1.064 1023 K HN 0.000 nan 8.250 nan 0.000 0.543