REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 1bgm_1_J DATA FIRST_RESID 3 DATA SEQUENCE ITDSLAVVLQ RRDWENPGVT QLNRLAAHPP FASWRNSEEA RTDRPSQQLR DATA SEQUENCE SLNGEWRFAW FPAPEAVPES WLECDLPEAD TVVVPSNWQM HGYDAPIYTN DATA SEQUENCE VTYPITVNPP FVPTENPTGC YSLTFNVDES WLQEGQTRII FDGVNSAFHL DATA SEQUENCE WCNGRWVGYG QDSRLPSEFD LSAFLRAGEN RLAVMVLRWS DGSYLEDQDM DATA SEQUENCE WRMSGIFRDV SLLHKPTTQI SDFHVATRFN DDFSRAVLEA EVQMCGELRD DATA SEQUENCE YLRVTVSLWQ GETQVASGTA PFGGEIIDER GGYADRVTLR LNVENPKLWS DATA SEQUENCE AEIPNLYRAV VELHTADGTL IEAEACDVGF REVRIENGLL LLNGKPLLIR DATA SEQUENCE GVNRHEHHPL HGQVMDEQTM VQDILLMKQN NFNAVRCSHY PNHPLWYTLC DATA SEQUENCE DRYGLYVVDE ANIETHGMVP MNRLTDDPRW LPAMSERVTR MVQRDRNHPS DATA SEQUENCE VIIWSLGNES GHGANHDALY RWIKSVDPSR PVQYEGGGAD TTATDIICPM DATA SEQUENCE YARVDEDQPF PAVPKWSIKK WLSLPGETRP LILCEYAHAM GNSLGGFAKY DATA SEQUENCE WQAFRQYPRL QGGFVWDWVD QSLIKYDENG NPWSAYGGDF GDTPNDRQFC DATA SEQUENCE MNGLVFADRT PHPALTEAKH QQQFFQFRLS GQTIEVTSEY LFRHSDNELL DATA SEQUENCE HWMVALDGKP LASGEVPLDV APQGKQLIEL PELPQPESAG QLWLTVRVVQ DATA SEQUENCE PNATAWSEAG HISAWQQWRL AENLSVTLPA ASHAIPHLTT SEMDFCIELG DATA SEQUENCE NKRWQFNRQS GFLSQMWIGD KKQLLTPLRD QFTRAPLDND IGVSEATRID DATA SEQUENCE PNAWVERWKA AGHYQAEAAL LQCTADTLAD AVLITTAHAW QHQGKTLFIS DATA SEQUENCE RKTYRIDGSG QMAITVDVEV ASDTPHPARI GLNCQLAQVA ERVNWLGLGP DATA SEQUENCE QENYPDRLTA ACFDRWDLPL SDMYTPYVFP SENGLRCGTR ELNYGPHQWR DATA SEQUENCE GDFQFNISRY SQQQLMETSH RHLLHAEEGT WLNIDGFHMG IGGDDSWSPS DATA SEQUENCE VSAEFQLSAG RYHYQLVWCQ K VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 3 I HA 0.000 nan 4.170 nan 0.000 0.288 3 I C 0.000 176.148 176.117 0.051 0.000 1.063 3 I CA 0.000 61.326 61.300 0.044 0.000 1.566 3 I CB 0.000 38.016 38.000 0.026 0.000 1.214 4 T N -1.832 112.758 114.554 0.060 0.000 3.051 4 T HA 0.016 4.366 4.350 -0.000 0.000 0.269 4 T C 0.998 175.755 174.700 0.095 0.000 1.127 4 T CA 1.500 63.628 62.100 0.047 0.000 1.107 4 T CB -0.627 68.268 68.868 0.045 0.000 0.898 4 T HN 0.383 nan 8.240 nan 0.000 0.517 5 D N 2.045 122.553 120.400 0.181 0.000 2.340 5 D HA 0.096 4.736 4.640 -0.000 0.000 0.220 5 D C 0.956 177.465 176.300 0.349 0.000 1.039 5 D CA 0.175 54.391 54.000 0.361 0.000 0.866 5 D CB 0.032 41.059 40.800 0.380 0.000 0.913 5 D HN 0.614 nan 8.370 nan 0.000 0.523 6 S N -0.056 115.734 115.700 0.150 0.000 2.565 6 S HA 0.089 4.559 4.470 -0.000 0.000 0.276 6 S C 1.380 176.020 174.600 0.066 0.000 1.326 6 S CA -0.683 57.553 58.200 0.061 0.000 1.045 6 S CB 1.395 64.604 63.200 0.015 0.000 0.918 6 S HN -0.095 nan 8.310 nan 0.000 0.505 7 L N 3.738 124.949 121.223 -0.019 0.000 2.021 7 L HA -0.102 4.238 4.340 -0.000 0.000 0.215 7 L C 2.961 179.837 176.870 0.011 0.000 1.074 7 L CA 2.610 57.442 54.840 -0.014 0.000 0.760 7 L CB -1.550 40.443 42.059 -0.110 0.000 0.889 7 L HN 1.006 nan 8.230 nan 0.000 0.433 8 A N -1.227 121.587 122.820 -0.010 0.000 1.917 8 A HA -0.206 4.114 4.320 -0.000 0.000 0.219 8 A C 2.262 179.838 177.584 -0.013 0.000 1.182 8 A CA 2.428 54.462 52.037 -0.006 0.000 0.633 8 A CB -1.010 17.984 19.000 -0.011 0.000 0.819 8 A HN 0.272 nan 8.150 nan 0.000 0.448 9 V N -0.683 119.216 119.914 -0.024 0.000 2.256 9 V HA -0.180 3.940 4.120 -0.000 0.000 0.240 9 V C 2.471 178.499 176.094 -0.110 0.000 1.036 9 V CA 1.592 63.857 62.300 -0.059 0.000 1.008 9 V CB -1.256 30.535 31.823 -0.053 0.000 0.648 9 V HN 0.323 nan 8.190 nan 0.000 0.453 10 V N 0.776 120.612 119.914 -0.130 0.000 2.357 10 V HA -0.305 3.815 4.120 -0.000 0.000 0.257 10 V C 2.129 178.103 176.094 -0.200 0.000 1.082 10 V CA 2.231 64.353 62.300 -0.296 0.000 1.078 10 V CB -0.807 30.899 31.823 -0.195 0.000 0.663 10 V HN 0.508 nan 8.190 nan 0.000 0.455 11 L N -0.558 120.663 121.223 -0.003 0.000 2.592 11 L HA 0.051 4.391 4.340 -0.000 0.000 0.227 11 L C 2.294 179.185 176.870 0.034 0.000 1.127 11 L CA 0.354 55.293 54.840 0.165 0.000 0.884 11 L CB -0.466 41.774 42.059 0.301 0.000 1.065 11 L HN 0.337 nan 8.230 nan 0.000 0.457 12 Q N 1.581 121.353 119.800 -0.046 0.000 2.050 12 Q HA -0.196 4.144 4.340 -0.000 0.000 0.202 12 Q C 2.210 178.133 176.000 -0.127 0.000 0.980 12 Q CA 1.845 57.606 55.803 -0.069 0.000 0.840 12 Q CB -0.034 28.661 28.738 -0.071 0.000 0.898 12 Q HN 0.281 nan 8.270 nan 0.000 0.424 13 R N -0.314 120.082 120.500 -0.173 0.000 2.148 13 R HA 0.089 4.429 4.340 -0.000 0.000 0.227 13 R C 0.051 176.154 176.300 -0.328 0.000 1.103 13 R CA 0.812 56.783 56.100 -0.214 0.000 0.983 13 R CB -0.016 30.161 30.300 -0.206 0.000 0.874 13 R HN 0.211 nan 8.270 nan 0.000 0.451 14 R N 0.922 121.106 120.500 -0.527 0.000 3.209 14 R HA -0.146 4.194 4.340 -0.000 0.000 0.252 14 R C -0.668 175.107 176.300 -0.876 0.000 0.958 14 R CA 0.393 55.829 56.100 -1.106 0.000 0.651 14 R CB -1.358 28.477 30.300 -0.774 0.000 1.142 14 R HN 0.359 nan 8.270 nan 0.000 0.441 15 D N -0.189 119.853 120.400 -0.596 0.000 2.310 15 D HA -0.157 4.483 4.640 -0.000 0.000 0.212 15 D C 1.574 177.807 176.300 -0.112 0.000 0.965 15 D CA 1.466 55.253 54.000 -0.354 0.000 0.879 15 D CB -0.102 40.384 40.800 -0.523 0.000 0.921 15 D HN 0.719 nan 8.370 nan 0.000 0.510 16 W N 1.529 122.888 121.300 0.098 0.000 3.377 16 W HA 0.229 4.889 4.660 -0.000 0.000 0.277 16 W C 0.231 176.870 176.519 0.200 0.000 1.311 16 W CA -0.319 57.162 57.345 0.228 0.000 1.703 16 W CB -0.297 29.329 29.460 0.277 0.000 1.095 16 W HN -0.194 nan 8.180 nan 0.000 0.715 17 E N 1.060 121.153 120.200 -0.178 0.000 3.306 17 E HA 0.088 4.438 4.350 -0.000 0.000 0.197 17 E C -0.935 175.572 176.600 -0.155 0.000 0.980 17 E CA -0.243 56.112 56.400 -0.076 0.000 1.259 17 E CB -0.172 29.502 29.700 -0.043 0.000 1.112 17 E HN 0.049 nan 8.360 nan 0.000 0.458 18 N N 1.069 119.699 118.700 -0.117 0.000 2.578 18 N HA 0.157 4.897 4.740 -0.000 0.000 0.282 18 N C -2.456 172.949 175.510 -0.176 0.000 1.119 18 N CA -1.737 51.204 53.050 -0.183 0.000 0.948 18 N CB 1.783 40.162 38.487 -0.180 0.000 1.546 18 N HN -0.225 nan 8.380 nan 0.000 0.525 19 P HA 0.121 nan 4.420 nan 0.000 0.229 19 P C 1.065 178.153 177.300 -0.353 0.000 1.160 19 P CA 0.589 63.393 63.100 -0.494 0.000 0.777 19 P CB 0.197 31.134 31.700 -1.273 0.000 0.814 20 G N -0.568 108.055 108.800 -0.295 0.000 2.848 20 G HA2 0.100 4.060 3.960 -0.000 0.000 0.208 20 G HA3 0.100 4.060 3.960 -0.000 0.000 0.208 20 G C 0.130 174.961 174.900 -0.115 0.000 1.152 20 G CA 0.256 45.234 45.100 -0.205 0.000 0.789 20 G HN 0.204 nan 8.290 nan 0.000 0.531 21 V N 0.519 120.387 119.914 -0.076 0.000 2.524 21 V HA 0.415 4.535 4.120 -0.000 0.000 0.297 21 V C 0.506 176.667 176.094 0.111 0.000 1.035 21 V CA 0.034 62.344 62.300 0.016 0.000 0.867 21 V CB 1.691 33.521 31.823 0.012 0.000 1.004 21 V HN 0.244 nan 8.190 nan 0.000 0.426 22 T N 0.743 115.367 114.554 0.115 0.000 3.058 22 T HA 0.404 4.754 4.350 -0.000 0.000 0.278 22 T C 0.028 174.774 174.700 0.078 0.000 0.974 22 T CA 0.292 62.461 62.100 0.114 0.000 0.893 22 T CB 0.375 69.262 68.868 0.031 0.000 1.138 22 T HN 0.785 nan 8.240 nan 0.000 0.529 23 Q N 0.291 120.186 119.800 0.158 0.000 2.721 23 Q HA 0.674 5.014 4.340 -0.000 0.000 0.282 23 Q C -2.545 173.593 176.000 0.231 0.000 0.932 23 Q CA -1.105 54.773 55.803 0.126 0.000 0.816 23 Q CB 0.737 29.468 28.738 -0.012 0.000 1.506 23 Q HN 0.076 nan 8.270 nan 0.000 0.399 24 L N 2.955 124.345 121.223 0.278 0.000 2.541 24 L HA 0.551 4.891 4.340 -0.000 0.000 0.266 24 L C -0.916 176.099 176.870 0.242 0.000 0.966 24 L CA -0.064 54.957 54.840 0.302 0.000 0.871 24 L CB 1.326 43.694 42.059 0.514 0.000 1.232 24 L HN 0.856 nan 8.230 nan 0.000 0.408 25 N N 0.984 119.768 118.700 0.141 0.000 2.782 25 N HA -0.216 4.524 4.740 -0.000 0.000 0.251 25 N C 0.434 175.918 175.510 -0.043 0.000 1.101 25 N CA 0.723 53.836 53.050 0.105 0.000 0.764 25 N CB -0.807 37.761 38.487 0.136 0.000 1.122 25 N HN 0.646 nan 8.380 nan 0.000 0.561 26 R N 0.790 121.137 120.500 -0.255 0.000 2.441 26 R HA 0.406 4.746 4.340 -0.000 0.000 0.284 26 R C 0.925 177.012 176.300 -0.356 0.000 1.070 26 R CA -0.411 55.269 56.100 -0.700 0.000 1.047 26 R CB 0.604 30.555 30.300 -0.582 0.000 1.016 26 R HN 0.125 nan 8.270 nan 0.000 0.477 27 L N 1.990 123.007 121.223 -0.342 0.000 2.475 27 L HA 0.279 4.619 4.340 -0.000 0.000 0.212 27 L C 0.549 177.373 176.870 -0.077 0.000 1.204 27 L CA -0.373 54.395 54.840 -0.121 0.000 0.843 27 L CB 0.290 42.330 42.059 -0.032 0.000 1.360 27 L HN 0.728 nan 8.230 nan 0.000 0.527 28 A N -0.127 122.701 122.820 0.012 0.000 2.295 28 A HA 0.680 5.000 4.320 -0.000 0.000 0.318 28 A C -0.160 177.513 177.584 0.148 0.000 1.134 28 A CA -0.360 51.703 52.037 0.043 0.000 0.827 28 A CB 0.984 20.018 19.000 0.056 0.000 1.136 28 A HN 0.700 nan 8.150 nan 0.000 0.493 29 A N 0.904 123.762 122.820 0.063 0.000 2.386 29 A HA 0.681 5.001 4.320 -0.000 0.000 0.248 29 A C 0.058 177.682 177.584 0.068 0.000 1.082 29 A CA 0.611 52.631 52.037 -0.028 0.000 0.789 29 A CB -0.187 18.756 19.000 -0.096 0.000 1.025 29 A HN 2.005 nan 8.150 nan 0.000 0.490 30 H N -2.085 116.896 119.070 -0.148 0.000 2.921 30 H HA 0.542 5.098 4.556 -0.000 0.000 0.287 30 H C -3.377 171.736 175.328 -0.359 0.000 1.434 30 H CA -1.587 54.336 56.048 -0.208 0.000 1.178 30 H CB -0.085 29.562 29.762 -0.192 0.000 1.836 30 H HN 0.405 nan 8.280 nan 0.000 0.495 31 P HA 0.134 nan 4.420 nan 0.000 0.271 31 P C -2.551 174.477 177.300 -0.454 0.000 1.238 31 P CA -1.154 61.742 63.100 -0.339 0.000 0.794 31 P CB -0.492 30.988 31.700 -0.367 0.000 0.959 32 P HA 0.204 nan 4.420 nan 0.000 0.276 32 P C -0.856 176.511 177.300 0.111 0.000 1.253 32 P CA 0.538 63.570 63.100 -0.113 0.000 0.766 32 P CB -0.065 31.643 31.700 0.014 0.000 0.845 33 F N 1.752 121.817 119.950 0.192 0.000 2.523 33 F HA 0.642 5.169 4.527 -0.000 0.000 0.329 33 F C 1.165 176.913 175.800 -0.087 0.000 1.061 33 F CA -1.245 56.815 58.000 0.100 0.000 0.967 33 F CB 1.180 40.230 39.000 0.084 0.000 1.218 33 F HN 0.332 nan 8.300 nan 0.000 0.480 34 A N -0.060 122.729 122.820 -0.051 0.000 2.480 34 A HA 0.344 4.664 4.320 -0.000 0.000 0.191 34 A C 0.621 177.917 177.584 -0.480 0.000 1.503 34 A CA 0.626 52.374 52.037 -0.481 0.000 1.110 34 A CB -0.341 17.842 19.000 -1.362 0.000 1.401 34 A HN 0.922 nan 8.150 nan 0.000 0.533 35 S N 0.161 115.691 115.700 -0.284 0.000 3.697 35 S HA -0.136 4.334 4.470 -0.000 0.000 0.388 35 S C -0.011 174.494 174.600 -0.157 0.000 0.941 35 S CA 0.423 58.496 58.200 -0.211 0.000 1.247 35 S CB -1.662 61.397 63.200 -0.237 0.000 0.904 35 S HN 0.470 nan 8.310 nan 0.000 0.518 36 W N 1.768 123.047 121.300 -0.035 0.000 2.079 36 W HA 0.334 4.994 4.660 -0.000 0.000 0.354 36 W C 1.406 177.903 176.519 -0.037 0.000 1.302 36 W CA -0.471 56.861 57.345 -0.020 0.000 1.281 36 W CB 0.255 29.704 29.460 -0.018 0.000 1.165 36 W HN 0.356 nan 8.180 nan 0.000 0.603 37 R N 1.688 122.333 120.500 0.242 0.000 2.642 37 R HA 0.098 4.438 4.340 -0.000 0.000 0.435 37 R C -0.407 175.958 176.300 0.109 0.000 1.046 37 R CA -0.238 55.937 56.100 0.125 0.000 1.103 37 R CB -0.285 30.067 30.300 0.086 0.000 1.425 37 R HN 0.329 nan 8.270 nan 0.000 0.586 38 N N 0.085 118.860 118.700 0.125 0.000 2.616 38 N HA 0.035 4.775 4.740 -0.000 0.000 0.281 38 N C 0.285 175.765 175.510 -0.050 0.000 1.145 38 N CA 0.023 53.096 53.050 0.038 0.000 0.919 38 N CB 1.839 40.355 38.487 0.050 0.000 1.509 38 N HN -0.157 nan 8.380 nan 0.000 0.537 39 S N 2.427 118.083 115.700 -0.074 0.000 2.389 39 S HA -0.206 4.264 4.470 -0.000 0.000 0.229 39 S C 1.331 175.778 174.600 -0.256 0.000 1.048 39 S CA 1.907 60.026 58.200 -0.136 0.000 1.117 39 S CB -0.163 62.984 63.200 -0.088 0.000 1.020 39 S HN 0.706 nan 8.310 nan 0.000 0.430 40 E N 0.022 120.079 120.200 -0.237 0.000 2.097 40 E HA -0.221 4.129 4.350 -0.000 0.000 0.196 40 E C 2.135 178.532 176.600 -0.338 0.000 1.000 40 E CA 1.597 57.819 56.400 -0.298 0.000 0.804 40 E CB -0.176 29.395 29.700 -0.216 0.000 0.740 40 E HN 0.624 nan 8.360 nan 0.000 0.454 41 E N -0.071 119.952 120.200 -0.295 0.000 2.038 41 E HA -0.215 4.135 4.350 -0.000 0.000 0.195 41 E C 1.920 178.019 176.600 -0.834 0.000 1.000 41 E CA 1.263 57.457 56.400 -0.343 0.000 0.803 41 E CB -0.141 29.500 29.700 -0.098 0.000 0.750 41 E HN 0.268 nan 8.360 nan 0.000 0.448 42 A N 0.814 122.881 122.820 -1.256 0.000 2.067 42 A HA -0.157 4.163 4.320 -0.000 0.000 0.219 42 A C 2.011 179.035 177.584 -0.934 0.000 1.158 42 A CA 1.219 52.171 52.037 -1.808 0.000 0.661 42 A CB -0.335 18.011 19.000 -1.090 0.000 0.801 42 A HN 0.075 nan 8.150 nan 0.000 0.452 43 R N -0.118 119.995 120.500 -0.645 0.000 2.100 43 R HA -0.063 4.277 4.340 -0.000 0.000 0.220 43 R C 1.487 177.543 176.300 -0.406 0.000 1.091 43 R CA 1.672 57.465 56.100 -0.512 0.000 0.986 43 R CB -0.180 29.734 30.300 -0.644 0.000 0.888 43 R HN 0.527 nan 8.270 nan 0.000 0.444 44 T N -2.120 112.210 114.554 -0.374 0.000 3.223 44 T HA 0.106 4.456 4.350 -0.000 0.000 0.259 44 T C 0.180 174.784 174.700 -0.160 0.000 1.015 44 T CA 0.035 61.998 62.100 -0.229 0.000 0.908 44 T CB 0.236 68.996 68.868 -0.180 0.000 1.054 44 T HN 0.198 nan 8.240 nan 0.000 0.567 45 D N 1.339 121.603 120.400 -0.227 0.000 2.997 45 D HA -0.181 4.459 4.640 -0.000 0.000 0.226 45 D C 0.346 176.725 176.300 0.131 0.000 1.189 45 D CA 0.664 54.641 54.000 -0.039 0.000 0.834 45 D CB -0.821 40.020 40.800 0.068 0.000 1.105 45 D HN 0.651 nan 8.370 nan 0.000 0.415 46 R N 0.223 120.761 120.500 0.064 0.000 2.861 46 R HA 0.225 4.565 4.340 -0.000 0.000 0.268 46 R C -2.026 174.518 176.300 0.406 0.000 1.027 46 R CA -0.692 55.516 56.100 0.180 0.000 1.163 46 R CB -0.122 30.245 30.300 0.113 0.000 1.060 46 R HN 0.141 nan 8.270 nan 0.000 0.483 47 P HA -0.004 nan 4.420 nan 0.000 0.271 47 P C -0.685 176.800 177.300 0.307 0.000 1.218 47 P CA -0.148 63.119 63.100 0.277 0.000 0.780 47 P CB 1.004 32.800 31.700 0.160 0.000 0.901 48 S N 1.624 117.366 115.700 0.070 0.000 2.442 48 S HA 0.125 4.595 4.470 -0.000 0.000 0.297 48 S C 0.985 175.565 174.600 -0.033 0.000 1.131 48 S CA -0.583 57.535 58.200 -0.136 0.000 1.092 48 S CB 0.496 63.155 63.200 -0.902 0.000 0.998 48 S HN 0.375 nan 8.310 nan 0.000 0.478 49 Q N 2.577 122.418 119.800 0.068 0.000 2.541 49 Q HA -0.079 4.261 4.340 -0.000 0.000 0.215 49 Q C 0.792 176.912 176.000 0.200 0.000 0.977 49 Q CA 0.671 56.555 55.803 0.135 0.000 0.934 49 Q CB -0.318 28.518 28.738 0.163 0.000 0.988 49 Q HN 0.693 nan 8.270 nan 0.000 0.521 50 Q N 0.120 119.953 119.800 0.054 0.000 2.302 50 Q HA 0.086 4.426 4.340 -0.000 0.000 0.202 50 Q C 0.005 176.038 176.000 0.055 0.000 0.936 50 Q CA 0.307 56.120 55.803 0.016 0.000 0.886 50 Q CB 0.334 28.973 28.738 -0.165 0.000 0.986 50 Q HN 0.196 nan 8.270 nan 0.000 0.487 51 L N 1.113 122.347 121.223 0.018 0.000 2.331 51 L HA 0.310 4.650 4.340 -0.000 0.000 0.278 51 L C -0.662 176.293 176.870 0.141 0.000 1.106 51 L CA 0.281 55.146 54.840 0.042 0.000 0.824 51 L CB 0.773 42.799 42.059 -0.055 0.000 1.142 51 L HN -0.032 nan 8.230 nan 0.000 0.443 52 R N 2.848 123.449 120.500 0.167 0.000 2.514 52 R HA 0.273 4.613 4.340 -0.000 0.000 0.296 52 R C -1.057 175.280 176.300 0.062 0.000 1.012 52 R CA -0.370 55.813 56.100 0.138 0.000 0.897 52 R CB 1.863 32.286 30.300 0.205 0.000 1.184 52 R HN 0.733 nan 8.270 nan 0.000 0.440 53 S N 4.206 119.931 115.700 0.042 0.000 2.528 53 S HA 0.227 4.697 4.470 -0.000 0.000 0.277 53 S C 1.084 175.696 174.600 0.019 0.000 1.297 53 S CA -0.427 57.790 58.200 0.028 0.000 1.052 53 S CB 0.446 63.671 63.200 0.042 0.000 0.917 53 S HN 0.609 nan 8.310 nan 0.000 0.492 54 L N 3.451 124.691 121.223 0.028 0.000 2.728 54 L HA 0.291 4.631 4.340 -0.000 0.000 0.238 54 L C 0.229 177.300 176.870 0.335 0.000 1.143 54 L CA -0.375 54.511 54.840 0.077 0.000 0.937 54 L CB -0.573 41.465 42.059 -0.035 0.000 1.225 54 L HN 0.492 nan 8.230 nan 0.000 0.507 55 N N 1.858 120.677 118.700 0.199 0.000 2.454 55 N HA 0.407 5.147 4.740 -0.000 0.000 0.260 55 N C 0.556 176.201 175.510 0.225 0.000 1.218 55 N CA 0.973 54.126 53.050 0.171 0.000 0.904 55 N CB 1.175 39.700 38.487 0.064 0.000 1.065 55 N HN 0.379 nan 8.380 nan 0.000 0.462 56 G N 1.308 110.281 108.800 0.288 0.000 2.373 56 G HA2 -0.024 3.936 3.960 -0.000 0.000 0.250 56 G HA3 -0.024 3.936 3.960 -0.000 0.000 0.250 56 G C -1.456 173.697 174.900 0.421 0.000 1.304 56 G CA -0.831 44.431 45.100 0.270 0.000 0.948 56 G HN 0.455 nan 8.290 nan 0.000 0.474 57 E N -0.295 120.105 120.200 0.333 0.000 2.360 57 E HA 0.442 4.792 4.350 -0.000 0.000 0.269 57 E C -0.973 175.920 176.600 0.490 0.000 1.022 57 E CA 0.307 56.909 56.400 0.336 0.000 0.887 57 E CB 0.879 30.689 29.700 0.183 0.000 0.990 57 E HN 0.369 nan 8.360 nan 0.000 0.426 58 W N 0.908 122.294 121.300 0.143 0.000 3.038 58 W HA 0.395 5.055 4.660 -0.000 0.000 0.347 58 W C -0.416 176.220 176.519 0.195 0.000 1.219 58 W CA -0.732 56.726 57.345 0.189 0.000 1.142 58 W CB 1.028 30.650 29.460 0.270 0.000 1.484 58 W HN 0.209 nan 8.180 nan 0.000 0.586 59 R N 1.730 122.509 120.500 0.466 0.000 2.360 59 R HA 0.477 4.817 4.340 -0.000 0.000 0.318 59 R C -1.326 175.180 176.300 0.343 0.000 0.950 59 R CA -0.701 55.596 56.100 0.329 0.000 0.837 59 R CB 1.565 32.001 30.300 0.228 0.000 1.165 59 R HN 0.348 nan 8.270 nan 0.000 0.458 60 F N 1.688 121.686 119.950 0.080 0.000 2.483 60 F HA 0.710 5.237 4.527 -0.000 0.000 0.329 60 F C -0.928 174.784 175.800 -0.147 0.000 1.064 60 F CA -0.629 57.287 58.000 -0.140 0.000 0.986 60 F CB 1.792 40.587 39.000 -0.343 0.000 1.218 60 F HN 0.550 nan 8.300 nan 0.000 0.484 61 A N 4.519 126.371 122.820 -1.614 0.000 2.509 61 A HA 0.308 4.628 4.320 -0.000 0.000 0.282 61 A C -1.982 174.837 177.584 -1.274 0.000 1.054 61 A CA -0.474 50.944 52.037 -1.033 0.000 0.820 61 A CB -0.376 18.382 19.000 -0.403 0.000 1.333 61 A HN 0.944 nan 8.150 nan 0.000 0.409 62 W N 2.912 123.564 121.300 -1.080 0.000 2.202 62 W HA 0.676 5.336 4.660 -0.000 0.000 0.332 62 W C -1.303 174.902 176.519 -0.523 0.000 1.263 62 W CA 0.577 57.526 57.345 -0.659 0.000 1.223 62 W CB 0.598 29.925 29.460 -0.222 0.000 1.128 62 W HN 0.481 nan 8.180 nan 0.000 0.573 63 F N 5.089 124.457 119.950 -0.970 0.000 2.601 63 F HA 0.287 4.814 4.527 -0.000 0.000 0.309 63 F C -1.373 173.592 175.800 -1.393 0.000 1.089 63 F CA -2.374 55.147 58.000 -0.798 0.000 0.940 63 F CB 1.598 40.261 39.000 -0.562 0.000 1.273 63 F HN 0.173 nan 8.300 nan 0.000 0.450 64 P HA 0.089 nan 4.420 nan 0.000 0.223 64 P C -0.393 176.767 177.300 -0.232 0.000 1.151 64 P CA 0.906 63.790 63.100 -0.360 0.000 0.787 64 P CB 0.638 32.392 31.700 0.090 0.000 0.788 65 A N -0.903 121.796 122.820 -0.203 0.000 2.562 65 A HA 0.433 4.753 4.320 -0.000 0.000 0.305 65 A C -2.289 175.182 177.584 -0.187 0.000 1.059 65 A CA -0.901 51.045 52.037 -0.152 0.000 0.835 65 A CB 0.213 19.195 19.000 -0.030 0.000 1.299 65 A HN -0.257 nan 8.150 nan 0.000 0.392 66 P HA -0.322 nan 4.420 nan 0.000 0.225 66 P C 0.639 177.802 177.300 -0.228 0.000 1.154 66 P CA 2.191 65.110 63.100 -0.302 0.000 0.933 66 P CB -0.221 31.294 31.700 -0.308 0.000 0.790 67 E N -0.625 119.517 120.200 -0.097 0.000 2.441 67 E HA 0.268 4.618 4.350 -0.000 0.000 0.210 67 E C 0.954 177.524 176.600 -0.051 0.000 1.306 67 E CA 0.483 56.858 56.400 -0.041 0.000 1.307 67 E CB -0.551 29.170 29.700 0.035 0.000 1.297 67 E HN 0.317 nan 8.360 nan 0.000 0.440 68 A N 0.282 123.030 122.820 -0.120 0.000 2.664 68 A HA 0.182 4.502 4.320 -0.000 0.000 0.222 68 A C 0.558 178.039 177.584 -0.173 0.000 1.320 68 A CA -0.321 51.707 52.037 -0.014 0.000 1.029 68 A CB 0.728 19.826 19.000 0.163 0.000 1.318 68 A HN 0.129 nan 8.150 nan 0.000 0.589 69 V N 3.208 122.779 119.914 -0.573 0.000 2.555 69 V HA 0.259 4.379 4.120 -0.000 0.000 0.286 69 V C -2.331 173.544 176.094 -0.366 0.000 1.044 69 V CA -1.157 60.591 62.300 -0.920 0.000 1.026 69 V CB 0.663 31.890 31.823 -0.994 0.000 0.981 69 V HN 0.315 nan 8.190 nan 0.000 0.480 70 P HA 0.227 nan 4.420 nan 0.000 0.280 70 P C 0.533 177.815 177.300 -0.030 0.000 1.300 70 P CA -0.259 62.810 63.100 -0.052 0.000 0.785 70 P CB 0.768 32.497 31.700 0.049 0.000 0.874 71 E N 2.217 122.389 120.200 -0.048 0.000 2.370 71 E HA -0.247 4.103 4.350 -0.000 0.000 0.205 71 E C 1.332 177.900 176.600 -0.052 0.000 1.037 71 E CA 1.841 58.205 56.400 -0.060 0.000 0.845 71 E CB -0.040 29.626 29.700 -0.057 0.000 0.753 71 E HN 0.470 nan 8.360 nan 0.000 0.507 72 S N -1.352 114.343 115.700 -0.008 0.000 2.528 72 S HA -0.089 4.380 4.470 -0.000 0.000 0.219 72 S C 1.436 176.034 174.600 -0.004 0.000 0.985 72 S CA 0.070 58.264 58.200 -0.011 0.000 0.914 72 S CB -0.385 62.822 63.200 0.011 0.000 0.776 72 S HN 0.550 nan 8.310 nan 0.000 0.526 73 W N 2.622 123.834 121.300 -0.146 0.000 2.392 73 W HA 0.114 4.774 4.660 -0.000 0.000 0.279 73 W C 1.386 177.805 176.519 -0.166 0.000 1.225 73 W CA 0.639 57.896 57.345 -0.146 0.000 1.233 73 W CB -0.297 29.047 29.460 -0.194 0.000 1.122 73 W HN 0.247 nan 8.180 nan 0.000 0.561 74 L N 0.105 121.075 121.223 -0.422 0.000 2.072 74 L HA -0.153 4.187 4.340 -0.000 0.000 0.205 74 L C 2.622 179.267 176.870 -0.376 0.000 1.079 74 L CA 1.228 55.720 54.840 -0.580 0.000 0.752 74 L CB -0.831 40.931 42.059 -0.495 0.000 0.906 74 L HN -0.080 nan 8.230 nan 0.000 0.436 75 E N -0.435 119.624 120.200 -0.234 0.000 2.011 75 E HA -0.006 4.344 4.350 -0.000 0.000 0.191 75 E C 0.592 177.109 176.600 -0.140 0.000 0.980 75 E CA 0.597 56.909 56.400 -0.147 0.000 0.814 75 E CB -0.115 29.532 29.700 -0.089 0.000 0.775 75 E HN 0.344 nan 8.360 nan 0.000 0.454 76 C N 1.803 121.037 119.300 -0.109 0.000 2.397 76 C HA 0.379 4.839 4.460 -0.000 0.000 0.343 76 C C 0.302 175.264 174.990 -0.047 0.000 1.188 76 C CA -1.186 57.792 59.018 -0.066 0.000 1.992 76 C CB 1.285 29.012 27.740 -0.022 0.000 2.358 76 C HN 0.259 nan 8.230 nan 0.000 0.518 77 D N 1.210 121.604 120.400 -0.011 0.000 2.341 77 D HA 0.317 4.957 4.640 -0.000 0.000 0.245 77 D C -0.181 176.183 176.300 0.106 0.000 1.106 77 D CA 0.121 54.159 54.000 0.064 0.000 0.905 77 D CB 0.774 41.609 40.800 0.058 0.000 1.202 77 D HN 0.351 nan 8.370 nan 0.000 0.426 78 L N 3.649 124.977 121.223 0.175 0.000 2.436 78 L HA 0.161 4.501 4.340 -0.000 0.000 0.265 78 L C -0.971 175.949 176.870 0.083 0.000 1.168 78 L CA -1.385 53.533 54.840 0.131 0.000 0.815 78 L CB 0.324 42.472 42.059 0.149 0.000 1.109 78 L HN 0.312 nan 8.230 nan 0.000 0.462 79 P HA -0.101 nan 4.420 nan 0.000 0.214 79 P C 0.854 178.176 177.300 0.036 0.000 1.162 79 P CA 1.205 64.330 63.100 0.041 0.000 0.874 79 P CB 0.233 31.951 31.700 0.029 0.000 0.784 80 E N -0.024 120.192 120.200 0.026 0.000 2.478 80 E HA 0.156 4.506 4.350 -0.000 0.000 0.198 80 E C 0.830 177.447 176.600 0.028 0.000 1.046 80 E CA -0.179 56.230 56.400 0.015 0.000 0.870 80 E CB -0.265 29.427 29.700 -0.014 0.000 0.818 80 E HN 0.200 nan 8.360 nan 0.000 0.527 81 A N 2.098 124.942 122.820 0.041 0.000 2.498 81 A HA 0.004 4.324 4.320 -0.000 0.000 0.239 81 A C 0.021 177.663 177.584 0.097 0.000 1.068 81 A CA -0.027 52.043 52.037 0.055 0.000 0.766 81 A CB 0.311 19.357 19.000 0.077 0.000 1.003 81 A HN 0.013 nan 8.150 nan 0.000 0.497 82 D N 0.863 121.351 120.400 0.146 0.000 2.340 82 D HA 0.312 4.952 4.640 -0.000 0.000 0.251 82 D C -0.502 175.907 176.300 0.182 0.000 1.080 82 D CA 0.148 54.251 54.000 0.172 0.000 0.971 82 D CB 1.126 42.071 40.800 0.242 0.000 1.137 82 D HN 0.401 nan 8.370 nan 0.000 0.475 83 T N 1.248 115.888 114.554 0.144 0.000 2.832 83 T HA 0.337 4.687 4.350 -0.000 0.000 0.313 83 T C 0.281 175.060 174.700 0.133 0.000 1.035 83 T CA -0.488 61.702 62.100 0.151 0.000 0.950 83 T CB 0.279 69.214 68.868 0.111 0.000 0.984 83 T HN 0.065 nan 8.240 nan 0.000 0.486 84 V N 3.435 123.459 119.914 0.182 0.000 3.302 84 V HA 0.601 4.721 4.120 -0.000 0.000 0.316 84 V C 0.190 176.392 176.094 0.180 0.000 1.111 84 V CA -0.857 61.516 62.300 0.121 0.000 1.029 84 V CB 1.813 33.713 31.823 0.130 0.000 1.170 84 V HN 0.428 nan 8.190 nan 0.000 0.452 85 V N 0.908 120.910 119.914 0.146 0.000 2.495 85 V HA 0.531 4.651 4.120 -0.000 0.000 0.298 85 V C -0.487 175.650 176.094 0.070 0.000 1.031 85 V CA -0.391 61.989 62.300 0.134 0.000 0.871 85 V CB 1.858 33.739 31.823 0.096 0.000 0.988 85 V HN 0.566 nan 8.190 nan 0.000 0.432 86 V N 7.400 127.282 119.914 -0.055 0.000 2.604 86 V HA 0.531 4.651 4.120 -0.000 0.000 0.305 86 V C -2.175 173.815 176.094 -0.173 0.000 1.043 86 V CA -1.749 60.393 62.300 -0.263 0.000 0.888 86 V CB 2.536 33.861 31.823 -0.830 0.000 0.995 86 V HN 0.745 nan 8.190 nan 0.000 0.429 87 P HA 0.507 nan 4.420 nan 0.000 0.277 87 P C -0.747 176.485 177.300 -0.114 0.000 1.271 87 P CA -0.181 62.804 63.100 -0.192 0.000 0.795 87 P CB 1.268 32.867 31.700 -0.168 0.000 1.101 88 S N -1.510 114.145 115.700 -0.075 0.000 2.707 88 S HA 0.278 4.748 4.470 -0.000 0.000 0.270 88 S C -1.593 172.970 174.600 -0.062 0.000 1.031 88 S CA -1.037 57.120 58.200 -0.071 0.000 0.866 88 S CB -0.333 62.851 63.200 -0.026 0.000 1.114 88 S HN 0.392 nan 8.310 nan 0.000 0.465 89 N N 0.753 119.343 118.700 -0.184 0.000 2.399 89 N HA 0.530 5.270 4.740 -0.000 0.000 0.295 89 N C 0.520 175.868 175.510 -0.269 0.000 1.048 89 N CA -0.632 52.267 53.050 -0.252 0.000 0.886 89 N CB 0.754 39.042 38.487 -0.333 0.000 1.185 89 N HN 0.839 nan 8.380 nan 0.000 0.487 90 W N 2.086 123.273 121.300 -0.189 0.000 2.519 90 W HA 0.026 4.686 4.660 -0.000 0.000 0.266 90 W C 0.965 177.442 176.519 -0.071 0.000 1.253 90 W CA 0.572 57.791 57.345 -0.210 0.000 1.274 90 W CB -0.292 28.927 29.460 -0.401 0.000 1.114 90 W HN 0.502 nan 8.180 nan 0.000 0.596 91 Q N 0.572 120.327 119.800 -0.076 0.000 2.167 91 Q HA -0.101 4.239 4.340 -0.000 0.000 0.202 91 Q C 1.990 177.932 176.000 -0.097 0.000 0.970 91 Q CA 1.535 57.308 55.803 -0.050 0.000 0.855 91 Q CB -0.655 27.940 28.738 -0.238 0.000 0.911 91 Q HN 0.191 nan 8.270 nan 0.000 0.438 92 M N -0.434 119.036 119.600 -0.217 0.000 2.748 92 M HA -0.039 4.441 4.480 -0.000 0.000 0.241 92 M C 0.251 176.509 176.300 -0.070 0.000 1.080 92 M CA 1.209 56.382 55.300 -0.212 0.000 1.068 92 M CB -0.781 31.641 32.600 -0.298 0.000 1.536 92 M HN 0.347 nan 8.290 nan 0.000 0.540 93 H N -1.928 117.197 119.070 0.092 0.000 3.058 93 H HA 0.355 4.911 4.556 -0.000 0.000 0.266 93 H C 1.396 176.713 175.328 -0.019 0.000 1.135 93 H CA 0.155 56.273 56.048 0.115 0.000 1.174 93 H CB 0.813 30.753 29.762 0.297 0.000 1.581 93 H HN 0.475 nan 8.280 nan 0.000 0.553 94 G N 0.675 109.535 108.800 0.101 0.000 2.217 94 G HA2 -0.399 3.561 3.960 -0.000 0.000 0.246 94 G HA3 -0.399 3.561 3.960 -0.000 0.000 0.246 94 G C 0.581 175.386 174.900 -0.158 0.000 0.990 94 G CA 0.498 45.556 45.100 -0.070 0.000 0.627 94 G HN 0.408 nan 8.290 nan 0.000 0.522 95 Y N 2.177 122.444 120.300 -0.055 0.000 2.193 95 Y HA 0.201 4.751 4.550 -0.000 0.000 0.285 95 Y C 1.675 177.260 175.900 -0.526 0.000 1.166 95 Y CA 1.492 59.387 58.100 -0.341 0.000 1.181 95 Y CB -0.222 37.989 38.460 -0.414 0.000 0.976 95 Y HN 0.671 nan 8.280 nan 0.000 0.520 96 D N -2.471 117.954 120.400 0.042 0.000 2.768 96 D HA 0.563 5.203 4.640 -0.000 0.000 0.327 96 D C -1.259 175.107 176.300 0.109 0.000 1.302 96 D CA -0.790 53.241 54.000 0.051 0.000 0.897 96 D CB 0.820 41.747 40.800 0.212 0.000 1.420 96 D HN -0.003 nan 8.370 nan 0.000 0.494 97 A N -0.252 122.641 122.820 0.121 0.000 2.324 97 A HA 0.774 5.094 4.320 -0.000 0.000 0.330 97 A C -2.499 175.101 177.584 0.027 0.000 1.165 97 A CA -1.372 50.710 52.037 0.074 0.000 0.813 97 A CB 0.483 19.593 19.000 0.183 0.000 1.197 97 A HN 0.513 nan 8.150 nan 0.000 0.484 98 P HA 0.370 nan 4.420 nan 0.000 0.270 98 P C -0.743 176.694 177.300 0.229 0.000 1.223 98 P CA 0.213 63.242 63.100 -0.119 0.000 0.785 98 P CB 0.519 31.869 31.700 -0.584 0.000 0.923 99 I N 0.698 121.506 120.570 0.396 0.000 2.646 99 I HA 0.301 4.471 4.170 -0.000 0.000 0.299 99 I C -0.675 175.619 176.117 0.296 0.000 1.036 99 I CA -0.852 60.668 61.300 0.367 0.000 1.074 99 I CB 2.136 40.288 38.000 0.253 0.000 1.258 99 I HN 0.301 nan 8.210 nan 0.000 0.430 100 Y N 4.383 124.598 120.300 -0.141 0.000 2.748 100 Y HA 0.391 4.941 4.550 -0.000 0.000 0.359 100 Y C -0.621 175.092 175.900 -0.312 0.000 1.030 100 Y CA -0.422 57.332 58.100 -0.576 0.000 1.169 100 Y CB 0.694 38.097 38.460 -1.761 0.000 1.127 100 Y HN 0.537 nan 8.280 nan 0.000 0.644 101 T N 2.474 116.560 114.554 -0.779 0.000 2.929 101 T HA 0.215 4.565 4.350 -0.000 0.000 0.284 101 T C 0.703 174.875 174.700 -0.880 0.000 1.014 101 T CA -0.756 60.931 62.100 -0.688 0.000 1.051 101 T CB 2.064 70.711 68.868 -0.369 0.000 1.028 101 T HN 0.750 nan 8.240 nan 0.000 0.485 102 N N 0.467 118.745 118.700 -0.704 0.000 2.426 102 N HA -0.023 4.717 4.740 -0.000 0.000 0.205 102 N C 1.195 176.422 175.510 -0.472 0.000 1.040 102 N CA 0.349 53.066 53.050 -0.556 0.000 0.990 102 N CB 0.209 38.404 38.487 -0.487 0.000 1.215 102 N HN 0.283 nan 8.380 nan 0.000 0.491 103 V N 0.834 120.418 119.914 -0.549 0.000 2.672 103 V HA 0.090 4.210 4.120 -0.000 0.000 0.242 103 V C 0.586 176.368 176.094 -0.519 0.000 1.059 103 V CA 0.652 62.570 62.300 -0.637 0.000 1.081 103 V CB 0.149 31.494 31.823 -0.798 0.000 0.752 103 V HN 0.307 nan 8.190 nan 0.000 0.472 104 T N 1.072 115.381 114.554 -0.409 0.000 2.902 104 T HA 0.123 4.473 4.350 -0.000 0.000 0.301 104 T C -0.473 174.061 174.700 -0.276 0.000 1.012 104 T CA 0.342 62.266 62.100 -0.294 0.000 1.151 104 T CB -0.159 68.581 68.868 -0.213 0.000 0.946 104 T HN 0.186 nan 8.240 nan 0.000 0.542 105 Y N 5.135 125.326 120.300 -0.182 0.000 2.465 105 Y HA 0.158 4.708 4.550 -0.000 0.000 0.331 105 Y C -0.961 174.788 175.900 -0.252 0.000 1.102 105 Y CA -2.019 55.948 58.100 -0.221 0.000 1.358 105 Y CB 0.447 38.756 38.460 -0.252 0.000 1.213 105 Y HN 0.553 nan 8.280 nan 0.000 0.525 106 P HA -0.174 nan 4.420 nan 0.000 0.218 106 P C 0.113 177.221 177.300 -0.320 0.000 1.146 106 P CA 1.453 64.449 63.100 -0.172 0.000 0.813 106 P CB 0.042 31.674 31.700 -0.112 0.000 0.778 107 I N -4.734 115.533 120.570 -0.505 0.000 3.076 107 I HA 0.446 4.616 4.170 -0.000 0.000 0.313 107 I C -0.325 175.633 176.117 -0.265 0.000 1.053 107 I CA -1.145 59.841 61.300 -0.524 0.000 1.048 107 I CB 0.848 38.306 38.000 -0.904 0.000 1.264 107 I HN -0.434 nan 8.210 nan 0.000 0.498 108 T N 2.311 116.760 114.554 -0.176 0.000 2.779 108 T HA 0.250 4.600 4.350 -0.000 0.000 0.296 108 T C 0.137 174.816 174.700 -0.035 0.000 0.938 108 T CA -0.484 61.577 62.100 -0.065 0.000 1.119 108 T CB 0.640 69.502 68.868 -0.009 0.000 0.891 108 T HN 0.387 nan 8.240 nan 0.000 0.526 109 V N 4.583 124.496 119.914 -0.002 0.000 2.409 109 V HA 0.170 4.290 4.120 -0.000 0.000 0.270 109 V C 0.667 176.824 176.094 0.105 0.000 1.019 109 V CA 0.050 62.392 62.300 0.069 0.000 1.066 109 V CB -0.611 31.247 31.823 0.058 0.000 1.021 109 V HN 0.929 nan 8.190 nan 0.000 0.476 110 N N 6.207 125.020 118.700 0.188 0.000 2.884 110 N HA 0.279 5.019 4.740 -0.000 0.000 0.211 110 N C -3.199 172.374 175.510 0.105 0.000 1.442 110 N CA -0.943 52.201 53.050 0.156 0.000 0.757 110 N CB 1.815 40.436 38.487 0.224 0.000 1.461 110 N HN 0.240 nan 8.380 nan 0.000 0.557 111 P HA 0.417 nan 4.420 nan 0.000 0.282 111 P C -2.285 174.763 177.300 -0.420 0.000 1.249 111 P CA -1.179 61.563 63.100 -0.597 0.000 0.806 111 P CB 0.760 31.718 31.700 -1.236 0.000 0.984 112 P HA 0.246 nan 4.420 nan 0.000 0.248 112 P C -0.797 176.353 177.300 -0.251 0.000 1.708 112 P CA -0.248 62.632 63.100 -0.366 0.000 1.062 112 P CB -0.188 31.340 31.700 -0.287 0.000 1.562 113 F N 0.989 121.025 119.950 0.142 0.000 2.375 113 F HA 0.298 4.825 4.527 -0.000 0.000 0.333 113 F C 1.304 177.271 175.800 0.279 0.000 1.104 113 F CA -0.992 57.120 58.000 0.187 0.000 1.149 113 F CB 0.720 39.787 39.000 0.111 0.000 1.190 113 F HN -0.179 nan 8.300 nan 0.000 0.533 114 V N -0.108 120.092 119.914 0.477 0.000 2.994 114 V HA 0.717 4.837 4.120 -0.000 0.000 0.318 114 V C -2.597 173.681 176.094 0.306 0.000 1.085 114 V CA -2.673 59.835 62.300 0.347 0.000 0.998 114 V CB 1.353 33.446 31.823 0.449 0.000 1.063 114 V HN 0.570 nan 8.190 nan 0.000 0.447 115 P HA 0.150 nan 4.420 nan 0.000 0.271 115 P C 1.105 178.565 177.300 0.267 0.000 1.220 115 P CA 0.533 63.761 63.100 0.212 0.000 0.768 115 P CB 1.061 32.877 31.700 0.193 0.000 0.848 116 T N -0.251 114.427 114.554 0.206 0.000 2.822 116 T HA -0.199 4.151 4.350 -0.000 0.000 0.270 116 T C 0.376 175.181 174.700 0.175 0.000 1.064 116 T CA 1.136 63.351 62.100 0.193 0.000 1.131 116 T CB -0.672 68.277 68.868 0.134 0.000 0.858 116 T HN 0.346 nan 8.240 nan 0.000 0.483 117 E N 2.551 122.863 120.200 0.187 0.000 1.963 117 E HA 0.488 4.838 4.350 -0.000 0.000 0.274 117 E C -0.709 176.031 176.600 0.233 0.000 1.061 117 E CA -0.327 56.181 56.400 0.180 0.000 0.847 117 E CB 0.341 30.156 29.700 0.191 0.000 1.083 117 E HN 0.330 nan 8.360 nan 0.000 0.402 118 N N 3.323 122.103 118.700 0.134 0.000 2.577 118 N HA 0.267 5.007 4.740 -0.000 0.000 0.275 118 N C -2.798 172.640 175.510 -0.120 0.000 1.091 118 N CA -2.610 50.494 53.050 0.091 0.000 0.843 118 N CB 1.219 39.785 38.487 0.131 0.000 1.295 118 N HN -0.006 nan 8.380 nan 0.000 0.530 119 P HA -0.017 nan 4.420 nan 0.000 0.250 119 P C -0.622 176.462 177.300 -0.359 0.000 1.161 119 P CA 0.524 63.414 63.100 -0.350 0.000 0.863 119 P CB -0.339 31.469 31.700 0.180 0.000 0.827 120 T N 2.678 116.860 114.554 -0.620 0.000 2.845 120 T HA 0.567 4.917 4.350 -0.000 0.000 0.288 120 T C 0.716 174.955 174.700 -0.769 0.000 0.980 120 T CA -0.390 61.408 62.100 -0.504 0.000 1.071 120 T CB 1.429 70.017 68.868 -0.467 0.000 0.941 120 T HN 0.325 nan 8.240 nan 0.000 0.487 121 G N 0.757 109.216 108.800 -0.568 0.000 2.609 121 G HA2 0.502 4.462 3.960 -0.000 0.000 0.308 121 G HA3 0.502 4.462 3.960 -0.000 0.000 0.308 121 G C -0.571 174.057 174.900 -0.454 0.000 1.369 121 G CA -0.533 44.144 45.100 -0.706 0.000 0.958 121 G HN 0.900 nan 8.290 nan 0.000 0.499 122 C N 2.724 121.494 119.300 -0.884 0.000 2.239 122 C HA 0.557 5.017 4.460 -0.000 0.000 0.325 122 C C -0.432 174.421 174.990 -0.228 0.000 1.231 122 C CA -1.098 57.525 59.018 -0.659 0.000 1.652 122 C CB -1.658 25.144 27.740 -1.564 0.000 2.284 122 C HN 0.604 nan 8.230 nan 0.000 0.499 123 Y N 1.580 122.078 120.300 0.330 0.000 2.453 123 Y HA 0.683 5.233 4.550 -0.000 0.000 0.326 123 Y C 0.840 177.180 175.900 0.734 0.000 1.186 123 Y CA -0.358 58.082 58.100 0.567 0.000 1.200 123 Y CB 1.269 40.059 38.460 0.551 0.000 1.247 123 Y HN 0.727 nan 8.280 nan 0.000 0.482 124 S N 1.481 117.698 115.700 0.862 0.000 2.552 124 S HA 0.697 5.167 4.470 -0.000 0.000 0.272 124 S C -1.917 172.774 174.600 0.152 0.000 1.150 124 S CA -0.851 57.639 58.200 0.482 0.000 0.849 124 S CB 1.939 65.325 63.200 0.311 0.000 1.113 124 S HN 0.664 nan 8.310 nan 0.000 0.458 125 L N 0.584 121.711 121.223 -0.160 0.000 2.526 125 L HA 0.763 5.103 4.340 -0.000 0.000 0.263 125 L C -1.297 175.518 176.870 -0.092 0.000 0.943 125 L CA 0.128 54.693 54.840 -0.458 0.000 0.859 125 L CB 2.310 43.480 42.059 -1.481 0.000 1.313 125 L HN 0.796 nan 8.230 nan 0.000 0.406 126 T N 5.386 119.913 114.554 -0.045 0.000 2.767 126 T HA 0.760 5.110 4.350 -0.000 0.000 0.284 126 T C -0.814 173.971 174.700 0.141 0.000 0.973 126 T CA 0.002 62.125 62.100 0.038 0.000 0.996 126 T CB 0.472 69.320 68.868 -0.034 0.000 0.927 126 T HN 0.485 nan 8.240 nan 0.000 0.456 127 F N 1.337 121.199 119.950 -0.148 0.000 2.869 127 F HA 0.796 5.323 4.527 -0.000 0.000 0.325 127 F C -1.088 174.649 175.800 -0.106 0.000 1.184 127 F CA -1.746 56.173 58.000 -0.134 0.000 0.951 127 F CB 1.024 39.932 39.000 -0.153 0.000 1.421 127 F HN 0.282 nan 8.300 nan 0.000 0.501 128 N N -0.627 118.015 118.700 -0.097 0.000 2.272 128 N HA 0.774 5.514 4.740 -0.000 0.000 0.305 128 N C -1.882 173.568 175.510 -0.101 0.000 1.103 128 N CA -0.621 52.328 53.050 -0.169 0.000 0.791 128 N CB 2.465 40.894 38.487 -0.097 0.000 1.356 128 N HN 0.640 nan 8.380 nan 0.000 0.486 129 V N 0.248 120.057 119.914 -0.176 0.000 2.638 129 V HA 0.380 4.500 4.120 -0.000 0.000 0.306 129 V C -0.299 175.646 176.094 -0.248 0.000 1.052 129 V CA -1.110 61.062 62.300 -0.213 0.000 0.885 129 V CB 1.684 33.442 31.823 -0.107 0.000 0.999 129 V HN 0.639 nan 8.190 nan 0.000 0.424 130 D N 3.002 123.160 120.400 -0.403 0.000 2.443 130 D HA 0.008 4.648 4.640 -0.000 0.000 0.239 130 D C 1.327 177.524 176.300 -0.171 0.000 1.136 130 D CA 0.347 54.165 54.000 -0.304 0.000 0.879 130 D CB 1.387 41.948 40.800 -0.399 0.000 1.195 130 D HN 0.829 nan 8.370 nan 0.000 0.443 131 E N 1.905 122.055 120.200 -0.083 0.000 2.038 131 E HA -0.262 4.088 4.350 -0.000 0.000 0.195 131 E C 1.930 178.551 176.600 0.036 0.000 1.000 131 E CA 1.625 58.013 56.400 -0.019 0.000 0.803 131 E CB -0.547 29.146 29.700 -0.011 0.000 0.750 131 E HN 0.589 nan 8.360 nan 0.000 0.448 132 S N 1.602 117.335 115.700 0.054 0.000 2.412 132 S HA -0.280 4.190 4.470 -0.000 0.000 0.246 132 S C 1.619 176.330 174.600 0.185 0.000 1.073 132 S CA 1.630 59.908 58.200 0.131 0.000 1.186 132 S CB -1.487 61.826 63.200 0.187 0.000 1.084 132 S HN 0.464 nan 8.310 nan 0.000 0.434 133 W N 1.952 123.116 121.300 -0.227 0.000 2.504 133 W HA 0.164 4.824 4.660 -0.000 0.000 0.257 133 W C 1.884 178.306 176.519 -0.161 0.000 1.225 133 W CA 0.040 57.075 57.345 -0.517 0.000 1.205 133 W CB -0.941 28.132 29.460 -0.644 0.000 1.137 133 W HN 0.357 nan 8.180 nan 0.000 0.612 134 L N -1.433 119.880 121.223 0.150 0.000 2.556 134 L HA 0.028 4.368 4.340 -0.000 0.000 0.226 134 L C 2.156 179.090 176.870 0.107 0.000 1.089 134 L CA 0.297 55.211 54.840 0.124 0.000 0.864 134 L CB -0.192 41.914 42.059 0.078 0.000 1.067 134 L HN -0.075 nan 8.230 nan 0.000 0.477 135 Q N 0.332 120.195 119.800 0.105 0.000 1.937 135 Q HA -0.001 4.339 4.340 -0.000 0.000 0.198 135 Q C 0.244 176.300 176.000 0.095 0.000 0.977 135 Q CA 0.809 56.661 55.803 0.082 0.000 0.836 135 Q CB 0.075 28.857 28.738 0.074 0.000 0.899 135 Q HN 0.323 nan 8.270 nan 0.000 0.437 136 E N 0.294 120.567 120.200 0.122 0.000 2.229 136 E HA 0.432 4.782 4.350 -0.000 0.000 0.283 136 E C -0.401 176.303 176.600 0.174 0.000 1.030 136 E CA -0.026 56.442 56.400 0.115 0.000 0.836 136 E CB 1.175 30.942 29.700 0.112 0.000 1.068 136 E HN 0.410 nan 8.360 nan 0.000 0.401 137 G N 2.512 111.336 108.800 0.040 0.000 2.497 137 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.686 137 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.686 137 G C -1.172 173.706 174.900 -0.037 0.000 1.288 137 G CA -0.869 44.153 45.100 -0.131 0.000 0.899 137 G HN 0.507 nan 8.290 nan 0.000 0.608 138 Q N -0.482 119.193 119.800 -0.208 0.000 2.312 138 Q HA 0.745 5.085 4.340 -0.000 0.000 0.263 138 Q C -0.990 175.004 176.000 -0.011 0.000 0.995 138 Q CA -0.535 55.230 55.803 -0.063 0.000 0.853 138 Q CB 1.745 30.433 28.738 -0.084 0.000 1.300 138 Q HN 0.604 nan 8.270 nan 0.000 0.448 139 T N 4.763 119.405 114.554 0.146 0.000 2.890 139 T HA 0.461 4.811 4.350 -0.000 0.000 0.295 139 T C -1.049 173.767 174.700 0.194 0.000 0.993 139 T CA -0.747 61.487 62.100 0.224 0.000 0.979 139 T CB 0.688 69.779 68.868 0.373 0.000 0.967 139 T HN 0.708 nan 8.240 nan 0.000 0.441 140 R N 2.922 123.514 120.500 0.154 0.000 2.803 140 R HA 0.768 5.108 4.340 -0.000 0.000 0.276 140 R C -1.137 175.247 176.300 0.140 0.000 0.978 140 R CA -0.994 55.202 56.100 0.160 0.000 0.939 140 R CB 1.719 32.100 30.300 0.135 0.000 1.179 140 R HN 0.510 nan 8.270 nan 0.000 0.472 141 I N 3.214 123.866 120.570 0.137 0.000 2.437 141 I HA 0.389 4.559 4.170 -0.000 0.000 0.298 141 I C -0.874 175.263 176.117 0.034 0.000 0.984 141 I CA -1.321 59.992 61.300 0.022 0.000 1.214 141 I CB 1.244 39.209 38.000 -0.058 0.000 1.365 141 I HN 0.623 nan 8.210 nan 0.000 0.469 142 I N 7.045 127.552 120.570 -0.105 0.000 2.418 142 I HA 0.268 4.438 4.170 -0.000 0.000 0.287 142 I C -1.221 174.765 176.117 -0.219 0.000 1.008 142 I CA -0.410 60.856 61.300 -0.056 0.000 1.104 142 I CB 1.562 39.548 38.000 -0.023 0.000 1.264 142 I HN 0.349 nan 8.210 nan 0.000 0.438 143 F N 4.662 124.645 119.950 0.055 0.000 2.311 143 F HA 0.277 4.804 4.527 -0.000 0.000 0.371 143 F C 1.379 177.104 175.800 -0.125 0.000 1.083 143 F CA -0.502 57.464 58.000 -0.057 0.000 1.113 143 F CB 0.599 39.564 39.000 -0.059 0.000 1.349 143 F HN 0.495 nan 8.300 nan 0.000 0.470 144 D N 2.236 122.614 120.400 -0.038 0.000 2.182 144 D HA -0.042 4.598 4.640 -0.000 0.000 0.201 144 D C 1.048 177.213 176.300 -0.225 0.000 0.986 144 D CA 1.091 55.020 54.000 -0.119 0.000 0.847 144 D CB 0.404 41.115 40.800 -0.149 0.000 0.942 144 D HN 0.600 nan 8.370 nan 0.000 0.467 145 G N -0.548 108.006 108.800 -0.411 0.000 2.734 145 G HA2 0.458 4.418 3.960 -0.000 0.000 0.293 145 G HA3 0.458 4.418 3.960 -0.000 0.000 0.293 145 G C -1.456 172.957 174.900 -0.813 0.000 1.422 145 G CA -0.334 44.266 45.100 -0.834 0.000 1.177 145 G HN -0.048 nan 8.290 nan 0.000 0.565 146 V N 2.911 122.600 119.914 -0.375 0.000 2.610 146 V HA 0.349 4.469 4.120 -0.000 0.000 0.288 146 V C -0.907 175.211 176.094 0.040 0.000 1.055 146 V CA -1.217 60.911 62.300 -0.287 0.000 0.902 146 V CB 1.642 32.968 31.823 -0.828 0.000 1.030 146 V HN 0.727 nan 8.190 nan 0.000 0.448 147 N N 2.427 121.241 118.700 0.189 0.000 2.426 147 N HA 0.311 5.051 4.740 -0.000 0.000 0.257 147 N C 0.842 176.312 175.510 -0.066 0.000 1.002 147 N CA 0.532 53.603 53.050 0.036 0.000 0.942 147 N CB 2.160 40.541 38.487 -0.177 0.000 1.112 147 N HN 0.704 nan 8.380 nan 0.000 0.499 148 S N 2.299 118.005 115.700 0.009 0.000 2.539 148 S HA 0.451 4.921 4.470 -0.000 0.000 0.226 148 S C 0.457 175.143 174.600 0.143 0.000 1.054 148 S CA 0.053 58.305 58.200 0.087 0.000 0.910 148 S CB 0.319 63.595 63.200 0.126 0.000 0.818 148 S HN 0.566 nan 8.310 nan 0.000 0.490 149 A N 0.923 123.848 122.820 0.175 0.000 2.479 149 A HA 0.878 5.198 4.320 -0.000 0.000 0.296 149 A C -1.117 176.655 177.584 0.313 0.000 1.121 149 A CA -0.868 51.288 52.037 0.197 0.000 0.743 149 A CB 1.181 20.350 19.000 0.282 0.000 1.323 149 A HN 1.278 nan 8.150 nan 0.000 0.415 150 F N -0.972 118.902 119.950 -0.126 0.000 2.740 150 F HA 0.547 5.074 4.527 -0.000 0.000 0.312 150 F C -1.753 174.047 175.800 -0.001 0.000 1.121 150 F CA -0.813 57.172 58.000 -0.024 0.000 0.977 150 F CB 0.624 39.563 39.000 -0.102 0.000 1.265 150 F HN 0.630 nan 8.300 nan 0.000 0.443 151 H N 2.654 121.897 119.070 0.288 0.000 2.472 151 H HA 0.750 5.306 4.556 -0.000 0.000 0.338 151 H C -1.398 173.964 175.328 0.058 0.000 1.133 151 H CA -0.723 55.428 56.048 0.173 0.000 1.216 151 H CB 2.396 32.352 29.762 0.323 0.000 1.497 151 H HN 0.810 nan 8.280 nan 0.000 0.500 152 L N 3.664 124.751 121.223 -0.226 0.000 2.356 152 L HA 0.355 4.695 4.340 -0.000 0.000 0.277 152 L C -1.486 175.067 176.870 -0.528 0.000 0.996 152 L CA -0.543 54.147 54.840 -0.251 0.000 0.822 152 L CB 1.082 42.879 42.059 -0.436 0.000 1.256 152 L HN 0.498 nan 8.230 nan 0.000 0.413 153 W N 4.765 126.033 121.300 -0.053 0.000 2.627 153 W HA 0.593 5.253 4.660 0.000 0.000 0.339 153 W C -0.893 175.536 176.519 -0.151 0.000 1.058 153 W CA -0.740 56.542 57.345 -0.104 0.000 1.223 153 W CB 2.023 31.458 29.460 -0.041 0.000 1.389 153 W HN 0.588 nan 8.180 nan 0.000 0.541 154 C N 6.143 125.441 119.300 -0.003 0.000 2.660 154 C HA 0.243 4.703 4.460 -0.000 0.000 0.336 154 C C 0.330 175.359 174.990 0.066 0.000 1.058 154 C CA -0.320 58.680 59.018 -0.030 0.000 1.368 154 C CB -1.106 26.542 27.740 -0.153 0.000 1.884 154 C HN 0.857 nan 8.230 nan 0.000 0.454 155 N N 2.924 121.657 118.700 0.055 0.000 2.948 155 N HA -0.170 4.570 4.740 -0.000 0.000 0.239 155 N C 0.858 176.406 175.510 0.063 0.000 0.954 155 N CA 2.101 55.175 53.050 0.040 0.000 0.941 155 N CB -1.450 37.070 38.487 0.055 0.000 1.101 155 N HN 1.778 nan 8.380 nan 0.000 0.579 156 G N -0.534 108.326 108.800 0.100 0.000 2.296 156 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.188 156 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.188 156 G C -0.051 175.020 174.900 0.286 0.000 1.000 156 G CA 0.074 45.241 45.100 0.111 0.000 0.672 156 G HN 0.364 nan 8.290 nan 0.000 0.483 157 R N -0.441 120.261 120.500 0.337 0.000 2.346 157 R HA 0.452 4.792 4.340 -0.000 0.000 0.311 157 R C -0.131 176.361 176.300 0.319 0.000 0.983 157 R CA -0.890 55.459 56.100 0.415 0.000 0.880 157 R CB 1.076 31.665 30.300 0.481 0.000 1.100 157 R HN 0.232 nan 8.270 nan 0.000 0.453 158 W N 3.800 125.177 121.300 0.128 0.000 2.295 158 W HA -0.025 4.635 4.660 -0.000 0.000 0.335 158 W C 0.036 176.347 176.519 -0.347 0.000 1.351 158 W CA 0.293 57.351 57.345 -0.478 0.000 1.273 158 W CB 0.569 29.810 29.460 -0.366 0.000 1.214 158 W HN 0.345 nan 8.180 nan 0.000 0.563 159 V N 5.254 124.228 119.914 -1.565 0.000 2.806 159 V HA 0.529 4.649 4.120 -0.000 0.000 0.239 159 V C 1.087 176.285 176.094 -1.493 0.000 1.113 159 V CA 1.071 62.575 62.300 -1.326 0.000 1.137 159 V CB -0.191 30.951 31.823 -1.135 0.000 0.865 159 V HN 0.880 nan 8.190 nan 0.000 0.482 160 G N -1.507 106.183 108.800 -1.851 0.000 2.325 160 G HA2 0.442 4.402 3.960 -0.000 0.000 0.295 160 G HA3 0.442 4.402 3.960 -0.000 0.000 0.295 160 G C -2.261 172.387 174.900 -0.419 0.000 1.274 160 G CA 0.003 44.506 45.100 -0.994 0.000 0.857 160 G HN 0.200 nan 8.290 nan 0.000 0.499 161 Y N -0.727 119.496 120.300 -0.128 0.000 2.521 161 Y HA 0.589 5.139 4.550 -0.000 0.000 0.326 161 Y C -0.195 175.599 175.900 -0.177 0.000 1.176 161 Y CA 0.187 58.080 58.100 -0.345 0.000 1.079 161 Y CB 1.226 39.593 38.460 -0.155 0.000 1.341 161 Y HN 1.444 nan 8.280 nan 0.000 0.456 162 G N 3.321 111.431 108.800 -1.151 0.000 2.949 162 G HA2 0.700 4.660 3.960 -0.000 0.000 0.285 162 G HA3 0.700 4.660 3.960 -0.000 0.000 0.285 162 G C -1.876 172.645 174.900 -0.632 0.000 1.395 162 G CA -0.939 43.770 45.100 -0.651 0.000 0.901 162 G HN 0.651 nan 8.290 nan 0.000 0.519 163 Q N -1.059 118.615 119.800 -0.210 0.000 2.626 163 Q HA 0.508 4.848 4.340 -0.000 0.000 0.300 163 Q C -1.787 174.239 176.000 0.043 0.000 0.988 163 Q CA -0.807 54.974 55.803 -0.038 0.000 0.761 163 Q CB 2.818 31.571 28.738 0.025 0.000 1.494 163 Q HN 0.652 nan 8.270 nan 0.000 0.439 164 D N 0.012 120.465 120.400 0.090 0.000 4.531 164 D HA -0.095 4.545 4.640 -0.000 0.000 0.229 164 D C -0.395 175.971 176.300 0.110 0.000 1.248 164 D CA 0.787 54.847 54.000 0.100 0.000 1.039 164 D CB -0.510 40.333 40.800 0.071 0.000 0.609 164 D HN 0.577 nan 8.370 nan 0.000 0.283 165 S N 2.907 118.688 115.700 0.134 0.000 2.562 165 S HA 0.015 4.485 4.470 -0.000 0.000 0.221 165 S C 1.609 176.339 174.600 0.218 0.000 0.975 165 S CA 0.163 58.471 58.200 0.181 0.000 0.918 165 S CB 0.466 63.773 63.200 0.178 0.000 0.772 165 S HN 0.393 nan 8.310 nan 0.000 0.531 166 R N 0.531 121.124 120.500 0.154 0.000 2.265 166 R HA 0.465 4.805 4.340 -0.000 0.000 0.194 166 R C 0.035 176.403 176.300 0.114 0.000 0.931 166 R CA 0.159 56.353 56.100 0.155 0.000 1.032 166 R CB -0.274 30.140 30.300 0.190 0.000 0.980 166 R HN 0.377 nan 8.270 nan 0.000 0.497 167 L N 1.044 122.309 121.223 0.069 0.000 2.354 167 L HA 0.515 4.855 4.340 -0.000 0.000 0.269 167 L C -2.257 174.612 176.870 -0.001 0.000 1.005 167 L CA -2.556 52.298 54.840 0.024 0.000 0.819 167 L CB 2.012 44.075 42.059 0.007 0.000 1.311 167 L HN -0.156 nan 8.230 nan 0.000 0.423 168 P HA 0.073 nan 4.420 nan 0.000 0.268 168 P C -1.025 176.281 177.300 0.011 0.000 1.208 168 P CA -0.151 62.936 63.100 -0.023 0.000 0.777 168 P CB 0.601 32.252 31.700 -0.082 0.000 0.875 169 S N 0.856 116.624 115.700 0.113 0.000 2.647 169 S HA 0.339 4.809 4.470 -0.000 0.000 0.300 169 S C -0.565 174.139 174.600 0.173 0.000 1.129 169 S CA -0.763 57.522 58.200 0.143 0.000 1.029 169 S CB 1.094 64.542 63.200 0.414 0.000 1.007 169 S HN 0.412 nan 8.310 nan 0.000 0.484 170 E N 2.218 122.345 120.200 -0.121 0.000 2.277 170 E HA 0.741 5.091 4.350 -0.000 0.000 0.266 170 E C -1.416 174.974 176.600 -0.351 0.000 0.901 170 E CA -0.819 55.563 56.400 -0.031 0.000 0.782 170 E CB 1.745 31.474 29.700 0.049 0.000 1.228 170 E HN 0.402 nan 8.360 nan 0.000 0.424 171 F N 0.029 120.037 119.950 0.098 0.000 2.619 171 F HA 0.184 4.711 4.527 -0.000 0.000 0.308 171 F C -0.374 175.471 175.800 0.075 0.000 1.097 171 F CA -1.112 56.926 58.000 0.064 0.000 0.953 171 F CB 1.840 40.859 39.000 0.031 0.000 1.287 171 F HN 0.318 nan 8.300 nan 0.000 0.446 172 D N 2.675 123.245 120.400 0.283 0.000 2.336 172 D HA 0.231 4.871 4.640 -0.000 0.000 0.249 172 D C 0.694 177.172 176.300 0.297 0.000 1.213 172 D CA 0.353 54.495 54.000 0.236 0.000 0.870 172 D CB 1.042 41.952 40.800 0.182 0.000 1.076 172 D HN 0.562 nan 8.370 nan 0.000 0.483 173 L N 2.501 123.887 121.223 0.271 0.000 2.418 173 L HA -0.101 4.239 4.340 -0.000 0.000 0.218 173 L C 2.254 179.367 176.870 0.405 0.000 1.125 173 L CA 0.069 55.102 54.840 0.323 0.000 0.835 173 L CB -0.116 42.094 42.059 0.252 0.000 0.953 173 L HN 0.329 nan 8.230 nan 0.000 0.454 174 S N 1.211 117.076 115.700 0.276 0.000 2.429 174 S HA -0.362 4.108 4.470 -0.000 0.000 0.251 174 S C 1.949 176.621 174.600 0.121 0.000 1.104 174 S CA 1.928 60.242 58.200 0.189 0.000 1.130 174 S CB -0.472 62.810 63.200 0.136 0.000 1.000 174 S HN 0.582 nan 8.310 nan 0.000 0.449 175 A N -0.331 122.520 122.820 0.052 0.000 2.238 175 A HA 0.346 4.666 4.320 -0.000 0.000 0.208 175 A C 1.147 178.482 177.584 -0.416 0.000 1.177 175 A CA 0.430 52.322 52.037 -0.242 0.000 0.804 175 A CB -0.403 18.336 19.000 -0.435 0.000 0.823 175 A HN 0.522 nan 8.150 nan 0.000 0.482 176 F N -1.276 118.702 119.950 0.047 0.000 2.784 176 F HA 0.373 4.900 4.527 -0.000 0.000 0.323 176 F C 0.674 176.491 175.800 0.028 0.000 1.085 176 F CA -1.200 56.822 58.000 0.037 0.000 1.196 176 F CB -0.406 38.616 39.000 0.036 0.000 1.053 176 F HN -0.094 nan 8.300 nan 0.000 0.578 177 L N 1.776 123.145 121.223 0.244 0.000 2.483 177 L HA 0.144 4.484 4.340 -0.000 0.000 0.277 177 L C 0.447 177.353 176.870 0.059 0.000 1.248 177 L CA 0.672 55.593 54.840 0.135 0.000 0.825 177 L CB 0.372 42.521 42.059 0.149 0.000 1.096 177 L HN 0.204 nan 8.230 nan 0.000 0.512 178 R N 0.033 120.529 120.500 -0.007 0.000 2.707 178 R HA 0.502 4.842 4.340 -0.000 0.000 0.272 178 R C -1.123 175.140 176.300 -0.063 0.000 1.011 178 R CA -0.785 55.294 56.100 -0.034 0.000 0.893 178 R CB 2.079 32.342 30.300 -0.062 0.000 1.233 178 R HN 0.702 nan 8.270 nan 0.000 0.464 179 A N 1.399 124.189 122.820 -0.051 0.000 2.404 179 A HA 0.551 4.871 4.320 -0.000 0.000 0.273 179 A C 0.883 178.415 177.584 -0.087 0.000 1.144 179 A CA 0.998 52.997 52.037 -0.062 0.000 0.806 179 A CB 0.097 19.073 19.000 -0.041 0.000 1.080 179 A HN 0.974 nan 8.150 nan 0.000 0.509 180 G N 2.036 110.768 108.800 -0.114 0.000 2.972 180 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.265 180 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.265 180 G C 0.160 174.952 174.900 -0.180 0.000 1.506 180 G CA 0.283 45.307 45.100 -0.126 0.000 1.016 180 G HN 0.929 nan 8.290 nan 0.000 0.563 181 E N 1.986 122.086 120.200 -0.166 0.000 2.259 181 E HA 0.465 4.815 4.350 -0.000 0.000 0.281 181 E C -0.437 175.992 176.600 -0.285 0.000 1.037 181 E CA -0.299 55.973 56.400 -0.212 0.000 0.854 181 E CB 0.346 29.959 29.700 -0.145 0.000 1.051 181 E HN 0.385 nan 8.360 nan 0.000 0.409 182 N N 2.883 121.296 118.700 -0.479 0.000 2.242 182 N HA 0.314 5.054 4.740 -0.000 0.000 0.292 182 N C -1.220 173.972 175.510 -0.531 0.000 1.125 182 N CA -0.620 52.076 53.050 -0.590 0.000 0.783 182 N CB 2.233 40.120 38.487 -1.000 0.000 1.558 182 N HN 0.357 nan 8.380 nan 0.000 0.472 183 R N 2.600 122.956 120.500 -0.241 0.000 2.502 183 R HA 0.415 4.755 4.340 -0.000 0.000 0.300 183 R C -1.238 175.102 176.300 0.067 0.000 0.984 183 R CA -0.488 55.578 56.100 -0.057 0.000 0.882 183 R CB 1.063 31.313 30.300 -0.083 0.000 1.180 183 R HN 0.522 nan 8.270 nan 0.000 0.444 184 L N 3.106 124.457 121.223 0.213 0.000 2.350 184 L HA 0.581 4.921 4.340 -0.000 0.000 0.275 184 L C -0.181 176.776 176.870 0.146 0.000 1.099 184 L CA -0.511 54.456 54.840 0.213 0.000 0.808 184 L CB 1.703 43.878 42.059 0.194 0.000 1.149 184 L HN 0.784 nan 8.230 nan 0.000 0.442 185 A N 3.997 126.928 122.820 0.186 0.000 2.499 185 A HA 0.623 4.943 4.320 -0.000 0.000 0.280 185 A C -0.964 176.931 177.584 0.519 0.000 1.135 185 A CA -0.453 51.671 52.037 0.145 0.000 0.744 185 A CB 1.140 19.883 19.000 -0.428 0.000 1.213 185 A HN 0.357 nan 8.150 nan 0.000 0.434 186 V N 2.607 122.975 119.914 0.758 0.000 2.427 186 V HA 0.501 4.621 4.120 -0.000 0.000 0.286 186 V C 0.377 176.954 176.094 0.806 0.000 1.034 186 V CA -0.312 62.420 62.300 0.719 0.000 0.893 186 V CB 1.427 33.520 31.823 0.449 0.000 0.982 186 V HN 0.939 nan 8.190 nan 0.000 0.452 187 M N 5.599 125.630 119.600 0.718 0.000 2.986 187 M HA 0.414 4.894 4.480 -0.000 0.000 0.241 187 M C -0.994 175.533 176.300 0.378 0.000 1.191 187 M CA -0.333 55.243 55.300 0.461 0.000 1.143 187 M CB 0.534 33.428 32.600 0.491 0.000 1.242 187 M HN 0.496 nan 8.290 nan 0.000 0.543 188 V N 4.817 124.951 119.914 0.366 0.000 2.529 188 V HA 0.136 4.256 4.120 -0.000 0.000 0.292 188 V C 0.250 176.512 176.094 0.281 0.000 1.028 188 V CA 0.142 62.640 62.300 0.330 0.000 1.074 188 V CB 0.331 32.409 31.823 0.425 0.000 0.958 188 V HN 0.680 nan 8.190 nan 0.000 0.481 189 L N 5.062 126.398 121.223 0.187 0.000 2.330 189 L HA 0.592 4.932 4.340 -0.000 0.000 0.271 189 L C 1.332 178.239 176.870 0.062 0.000 1.013 189 L CA -0.798 54.080 54.840 0.063 0.000 0.816 189 L CB 1.510 43.497 42.059 -0.121 0.000 1.287 189 L HN 0.511 nan 8.230 nan 0.000 0.435 190 R N 1.409 121.879 120.500 -0.050 0.000 2.055 190 R HA -0.003 4.337 4.340 -0.000 0.000 0.228 190 R C -0.394 175.731 176.300 -0.291 0.000 1.143 190 R CA 1.454 57.338 56.100 -0.361 0.000 0.945 190 R CB 0.145 29.976 30.300 -0.782 0.000 0.841 190 R HN 0.571 nan 8.270 nan 0.000 0.429 191 W N 0.501 121.859 121.300 0.097 0.000 2.520 191 W HA 0.340 5.000 4.660 -0.000 0.000 0.323 191 W C -0.094 176.542 176.519 0.194 0.000 1.062 191 W CA -0.823 56.591 57.345 0.115 0.000 1.215 191 W CB 1.491 31.016 29.460 0.109 0.000 1.340 191 W HN 0.042 nan 8.180 nan 0.000 0.516 192 S N -0.623 115.373 115.700 0.494 0.000 2.596 192 S HA 0.201 4.671 4.470 -0.000 0.000 0.270 192 S C 0.207 175.081 174.600 0.456 0.000 1.155 192 S CA -0.534 57.970 58.200 0.507 0.000 0.827 192 S CB 1.290 64.752 63.200 0.436 0.000 1.130 192 S HN 0.638 nan 8.310 nan 0.000 0.467 193 D N 0.990 121.659 120.400 0.448 0.000 2.228 193 D HA -0.002 4.638 4.640 -0.000 0.000 0.203 193 D C 1.778 178.375 176.300 0.495 0.000 0.988 193 D CA 1.509 55.791 54.000 0.470 0.000 0.864 193 D CB -0.771 40.200 40.800 0.284 0.000 0.928 193 D HN 0.738 nan 8.370 nan 0.000 0.469 194 G N -0.172 108.854 108.800 0.377 0.000 2.470 194 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.220 194 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.220 194 G C 1.708 176.792 174.900 0.308 0.000 1.121 194 G CA 0.758 46.050 45.100 0.320 0.000 0.766 194 G HN 0.320 nan 8.290 nan 0.000 0.553 195 S N 0.203 116.083 115.700 0.300 0.000 2.359 195 S HA -0.154 4.316 4.470 -0.000 0.000 0.224 195 S C 1.925 176.627 174.600 0.170 0.000 1.035 195 S CA 1.087 59.418 58.200 0.218 0.000 1.018 195 S CB -0.489 62.833 63.200 0.204 0.000 0.876 195 S HN 0.517 nan 8.310 nan 0.000 0.448 196 Y N 1.342 121.697 120.300 0.093 0.000 2.651 196 Y HA 0.012 4.562 4.550 -0.000 0.000 0.293 196 Y C 1.552 177.521 175.900 0.114 0.000 1.151 196 Y CA 0.562 58.639 58.100 -0.039 0.000 1.362 196 Y CB -0.456 37.828 38.460 -0.294 0.000 0.973 196 Y HN 0.223 nan 8.280 nan 0.000 0.561 197 L N -0.566 120.829 121.223 0.286 0.000 2.693 197 L HA 0.138 4.478 4.340 -0.000 0.000 0.235 197 L C 0.209 177.213 176.870 0.223 0.000 1.127 197 L CA 0.311 55.284 54.840 0.221 0.000 0.914 197 L CB 0.127 42.310 42.059 0.207 0.000 1.193 197 L HN 0.166 nan 8.230 nan 0.000 0.502 198 E N -0.159 120.191 120.200 0.249 0.000 3.105 198 E HA 0.050 4.400 4.350 -0.000 0.000 0.219 198 E C -0.467 176.251 176.600 0.197 0.000 1.064 198 E CA -0.128 56.406 56.400 0.223 0.000 1.342 198 E CB 0.366 30.189 29.700 0.205 0.000 1.295 198 E HN 0.010 nan 8.360 nan 0.000 0.438 199 D N 1.657 122.146 120.400 0.148 0.000 2.870 199 D HA 0.010 4.650 4.640 -0.000 0.000 0.241 199 D C -0.311 176.001 176.300 0.021 0.000 1.234 199 D CA -0.019 53.963 54.000 -0.031 0.000 0.844 199 D CB -0.014 40.546 40.800 -0.400 0.000 1.051 199 D HN 0.115 nan 8.370 nan 0.000 0.469 200 Q N 0.229 120.122 119.800 0.155 0.000 2.373 200 Q HA 0.151 4.491 4.340 -0.000 0.000 0.255 200 Q C -0.008 176.100 176.000 0.181 0.000 0.980 200 Q CA -0.161 55.796 55.803 0.258 0.000 0.882 200 Q CB 0.623 29.641 28.738 0.468 0.000 1.249 200 Q HN 0.033 nan 8.270 nan 0.000 0.438 201 D N 2.671 123.202 120.400 0.219 0.000 2.489 201 D HA 0.182 4.822 4.640 -0.000 0.000 0.237 201 D C -0.885 175.532 176.300 0.196 0.000 1.212 201 D CA 0.118 54.185 54.000 0.111 0.000 1.058 201 D CB -0.440 40.433 40.800 0.122 0.000 1.098 201 D HN 0.480 nan 8.370 nan 0.000 0.509 202 M N 0.028 119.703 119.600 0.126 0.000 2.880 202 M HA 0.446 4.926 4.480 -0.000 0.000 0.269 202 M C -1.329 175.096 176.300 0.208 0.000 1.248 202 M CA -1.205 54.184 55.300 0.148 0.000 0.821 202 M CB 1.034 33.671 32.600 0.061 0.000 1.650 202 M HN -0.109 nan 8.290 nan 0.000 0.479 203 W N 2.242 123.678 121.300 0.227 0.000 2.264 203 W HA 0.296 4.956 4.660 -0.000 0.000 0.331 203 W C 0.155 176.696 176.519 0.037 0.000 1.364 203 W CA -0.022 57.419 57.345 0.161 0.000 1.253 203 W CB 0.389 29.877 29.460 0.045 0.000 1.215 203 W HN 0.297 nan 8.180 nan 0.000 0.561 204 R N 5.298 125.956 120.500 0.264 0.000 2.220 204 R HA 0.350 4.690 4.340 -0.000 0.000 0.340 204 R C -0.191 176.138 176.300 0.048 0.000 1.076 204 R CA -0.130 56.063 56.100 0.156 0.000 0.920 204 R CB -0.200 30.239 30.300 0.231 0.000 1.062 204 R HN 0.572 nan 8.270 nan 0.000 0.469 205 M N 0.146 119.671 119.600 -0.124 0.000 2.424 205 M HA 0.513 4.993 4.480 -0.000 0.000 0.243 205 M C 0.086 176.086 176.300 -0.499 0.000 0.874 205 M CA -0.720 54.390 55.300 -0.317 0.000 1.442 205 M CB 1.502 33.883 32.600 -0.365 0.000 1.345 205 M HN 0.611 nan 8.290 nan 0.000 0.767 206 S N -1.307 113.964 115.700 -0.715 0.000 2.627 206 S HA 0.826 5.296 4.470 -0.000 0.000 0.268 206 S C -0.752 173.316 174.600 -0.885 0.000 1.130 206 S CA -0.138 57.554 58.200 -0.847 0.000 0.819 206 S CB 1.230 63.755 63.200 -1.125 0.000 1.100 206 S HN 1.694 nan 8.310 nan 0.000 0.465 207 G N 0.249 108.741 108.800 -0.514 0.000 2.353 207 G HA2 0.162 4.122 3.960 -0.000 0.000 0.615 207 G HA3 0.162 4.122 3.960 -0.000 0.000 0.615 207 G C -1.146 173.745 174.900 -0.015 0.000 1.280 207 G CA -0.530 44.529 45.100 -0.067 0.000 1.000 207 G HN 1.311 nan 8.290 nan 0.000 0.516 208 I N 2.225 122.666 120.570 -0.215 0.000 2.206 208 I HA 0.201 4.371 4.170 -0.000 0.000 0.292 208 I C 1.340 177.314 176.117 -0.237 0.000 1.156 208 I CA -0.189 60.864 61.300 -0.411 0.000 1.356 208 I CB -0.438 37.074 38.000 -0.813 0.000 1.494 208 I HN 0.470 nan 8.210 nan 0.000 0.601 209 F N 2.834 122.634 119.950 -0.249 0.000 2.797 209 F HA 0.354 4.881 4.527 -0.000 0.000 0.302 209 F C 0.710 176.430 175.800 -0.134 0.000 1.130 209 F CA -0.486 57.398 58.000 -0.192 0.000 1.387 209 F CB -0.288 38.597 39.000 -0.190 0.000 1.107 209 F HN 0.102 nan 8.300 nan 0.000 0.577 210 R N 0.787 120.871 120.500 -0.693 0.000 2.888 210 R HA 0.234 4.574 4.340 -0.000 0.000 0.264 210 R C -0.790 175.362 176.300 -0.246 0.000 1.045 210 R CA -1.037 54.826 56.100 -0.395 0.000 0.962 210 R CB 0.947 30.991 30.300 -0.428 0.000 1.210 210 R HN 0.061 nan 8.270 nan 0.000 0.479 211 D N 0.558 120.893 120.400 -0.108 0.000 2.406 211 D HA 0.148 4.788 4.640 -0.000 0.000 0.234 211 D C -0.157 176.072 176.300 -0.118 0.000 1.196 211 D CA -0.023 53.926 54.000 -0.086 0.000 0.881 211 D CB 0.384 41.179 40.800 -0.009 0.000 1.205 211 D HN 0.042 nan 8.370 nan 0.000 0.453 212 V N 0.086 119.932 119.914 -0.112 0.000 2.540 212 V HA 0.675 4.795 4.120 -0.000 0.000 0.302 212 V C -0.053 175.972 176.094 -0.116 0.000 1.035 212 V CA -0.720 61.473 62.300 -0.179 0.000 0.873 212 V CB 1.359 33.104 31.823 -0.130 0.000 0.992 212 V HN 0.867 nan 8.190 nan 0.000 0.428 213 S N 4.085 119.689 115.700 -0.159 0.000 2.638 213 S HA 0.825 5.295 4.470 -0.000 0.000 0.274 213 S C -1.326 173.237 174.600 -0.062 0.000 1.157 213 S CA -0.935 57.220 58.200 -0.075 0.000 0.826 213 S CB 1.995 65.181 63.200 -0.024 0.000 1.139 213 S HN 0.506 nan 8.310 nan 0.000 0.474 214 L N 1.423 122.668 121.223 0.036 0.000 2.356 214 L HA 0.630 4.970 4.340 -0.000 0.000 0.277 214 L C -1.495 175.491 176.870 0.193 0.000 0.996 214 L CA -0.762 54.162 54.840 0.141 0.000 0.822 214 L CB 1.722 43.927 42.059 0.244 0.000 1.256 214 L HN 0.725 nan 8.230 nan 0.000 0.413 215 L N 2.914 124.214 121.223 0.128 0.000 2.346 215 L HA 0.505 4.845 4.340 -0.000 0.000 0.276 215 L C -0.986 175.818 176.870 -0.111 0.000 1.006 215 L CA -0.303 54.549 54.840 0.021 0.000 0.817 215 L CB 1.648 43.718 42.059 0.019 0.000 1.272 215 L HN 0.469 nan 8.230 nan 0.000 0.421 216 H N 3.999 122.760 119.070 -0.516 0.000 2.638 216 H HA 0.538 5.094 4.556 -0.000 0.000 0.317 216 H C -1.258 173.791 175.328 -0.464 0.000 1.006 216 H CA -0.380 55.222 56.048 -0.742 0.000 1.222 216 H CB 0.837 29.516 29.762 -1.805 0.000 1.419 216 H HN 0.550 nan 8.280 nan 0.000 0.489 217 K N 5.539 125.513 120.400 -0.711 0.000 2.328 217 K HA 0.373 4.693 4.320 -0.000 0.000 0.246 217 K C -2.720 173.534 176.600 -0.577 0.000 0.955 217 K CA -2.297 53.674 56.287 -0.527 0.000 0.817 217 K CB 1.953 34.248 32.500 -0.342 0.000 1.208 217 K HN 0.465 nan 8.250 nan 0.000 0.432 218 P HA -0.008 nan 4.420 nan 0.000 0.271 218 P C 0.283 177.453 177.300 -0.218 0.000 1.218 218 P CA -0.025 62.910 63.100 -0.275 0.000 0.780 218 P CB 0.518 32.109 31.700 -0.180 0.000 0.901 219 T N -0.681 113.778 114.554 -0.158 0.000 2.759 219 T HA -0.092 4.258 4.350 -0.000 0.000 0.269 219 T C 0.930 175.559 174.700 -0.118 0.000 1.042 219 T CA 1.476 63.506 62.100 -0.117 0.000 1.140 219 T CB -0.876 67.948 68.868 -0.073 0.000 0.864 219 T HN 0.386 nan 8.240 nan 0.000 0.455 220 T N 3.564 118.049 114.554 -0.115 0.000 2.891 220 T HA 0.351 4.701 4.350 -0.000 0.000 0.315 220 T C -0.179 174.433 174.700 -0.147 0.000 1.054 220 T CA -0.662 61.360 62.100 -0.129 0.000 0.958 220 T CB 0.218 69.016 68.868 -0.117 0.000 1.008 220 T HN 0.531 nan 8.240 nan 0.000 0.521 221 Q N 3.360 123.059 119.800 -0.167 0.000 2.484 221 Q HA 0.549 4.889 4.340 -0.000 0.000 0.285 221 Q C -0.941 174.945 176.000 -0.190 0.000 1.097 221 Q CA -1.088 54.599 55.803 -0.193 0.000 0.802 221 Q CB 1.492 30.089 28.738 -0.235 0.000 1.444 221 Q HN 0.428 nan 8.270 nan 0.000 0.429 222 I N 2.764 123.191 120.570 -0.239 0.000 2.517 222 I HA -0.040 4.130 4.170 -0.000 0.000 0.285 222 I C 0.846 176.785 176.117 -0.298 0.000 1.106 222 I CA 0.266 61.431 61.300 -0.224 0.000 1.402 222 I CB 1.036 38.842 38.000 -0.323 0.000 1.399 222 I HN 0.881 nan 8.210 nan 0.000 0.535 223 S N 3.060 118.708 115.700 -0.087 0.000 2.559 223 S HA 0.224 4.694 4.470 -0.000 0.000 0.226 223 S C 0.008 174.772 174.600 0.273 0.000 1.000 223 S CA -0.341 57.851 58.200 -0.013 0.000 0.948 223 S CB 0.307 63.501 63.200 -0.010 0.000 0.870 223 S HN 0.746 nan 8.310 nan 0.000 0.497 224 D N -0.357 120.270 120.400 0.380 0.000 2.912 224 D HA 0.453 5.093 4.640 -0.000 0.000 0.263 224 D C -1.906 174.684 176.300 0.484 0.000 1.152 224 D CA -0.453 53.839 54.000 0.487 0.000 0.728 224 D CB 1.175 42.123 40.800 0.247 0.000 1.337 224 D HN 0.243 nan 8.370 nan 0.000 0.435 225 F N -0.672 119.354 119.950 0.126 0.000 2.704 225 F HA 0.564 5.091 4.527 -0.000 0.000 0.312 225 F C -1.826 174.085 175.800 0.185 0.000 1.108 225 F CA -0.747 57.236 58.000 -0.027 0.000 1.005 225 F CB 0.622 39.645 39.000 0.038 0.000 1.277 225 F HN 0.329 nan 8.300 nan 0.000 0.445 226 H N 1.204 120.214 119.070 -0.100 0.000 2.768 226 H HA 0.859 5.415 4.556 -0.000 0.000 0.371 226 H C -1.253 174.028 175.328 -0.078 0.000 1.151 226 H CA -1.673 54.268 56.048 -0.178 0.000 1.165 226 H CB 2.720 32.411 29.762 -0.118 0.000 1.722 226 H HN 0.618 nan 8.280 nan 0.000 0.543 227 V N 0.760 120.688 119.914 0.022 0.000 2.919 227 V HA 0.864 4.984 4.120 -0.000 0.000 0.316 227 V C -0.106 175.955 176.094 -0.054 0.000 1.077 227 V CA -0.767 61.522 62.300 -0.019 0.000 0.977 227 V CB 1.550 33.339 31.823 -0.056 0.000 1.039 227 V HN 0.988 nan 8.190 nan 0.000 0.441 228 A N 1.644 124.413 122.820 -0.084 0.000 2.606 228 A HA 0.962 5.282 4.320 -0.000 0.000 0.293 228 A C -0.521 176.975 177.584 -0.147 0.000 1.082 228 A CA -0.238 51.744 52.037 -0.091 0.000 0.685 228 A CB 2.280 21.248 19.000 -0.053 0.000 1.284 228 A HN 1.250 nan 8.150 nan 0.000 0.408 229 T N -0.385 114.083 114.554 -0.143 0.000 3.293 229 T HA 0.684 5.034 4.350 -0.000 0.000 0.320 229 T C -0.699 173.783 174.700 -0.363 0.000 0.995 229 T CA -0.693 61.263 62.100 -0.241 0.000 1.041 229 T CB 0.825 69.565 68.868 -0.213 0.000 1.058 229 T HN 0.812 nan 8.240 nan 0.000 0.453 230 R N 1.889 122.100 120.500 -0.482 0.000 2.828 230 R HA 0.922 5.262 4.340 -0.000 0.000 0.264 230 R C -1.094 174.771 176.300 -0.724 0.000 1.022 230 R CA -0.855 55.010 56.100 -0.392 0.000 1.021 230 R CB 1.242 31.463 30.300 -0.132 0.000 1.163 230 R HN 0.528 nan 8.270 nan 0.000 0.494 231 F N -0.656 119.285 119.950 -0.014 0.000 2.685 231 F HA 0.323 4.850 4.527 -0.000 0.000 0.315 231 F C -0.122 175.556 175.800 -0.204 0.000 1.126 231 F CA -1.379 56.563 58.000 -0.098 0.000 0.950 231 F CB 0.713 39.611 39.000 -0.171 0.000 1.360 231 F HN 0.504 nan 8.300 nan 0.000 0.469 232 N N 0.174 118.872 118.700 -0.004 0.000 2.408 232 N HA 0.073 4.813 4.740 -0.000 0.000 0.260 232 N C 0.450 175.798 175.510 -0.269 0.000 1.242 232 N CA -0.105 52.885 53.050 -0.101 0.000 0.959 232 N CB 0.289 38.739 38.487 -0.062 0.000 1.201 232 N HN 0.740 nan 8.380 nan 0.000 0.511 233 D N -1.476 118.810 120.400 -0.190 0.000 2.393 233 D HA -0.229 4.411 4.640 -0.000 0.000 0.220 233 D C 0.261 176.423 176.300 -0.230 0.000 0.974 233 D CA 1.256 55.135 54.000 -0.201 0.000 0.931 233 D CB -0.247 40.502 40.800 -0.084 0.000 0.889 233 D HN 0.732 nan 8.370 nan 0.000 0.512 234 D N -1.730 118.536 120.400 -0.223 0.000 2.525 234 D HA -0.045 4.595 4.640 -0.000 0.000 0.231 234 D C 0.336 176.727 176.300 0.151 0.000 1.216 234 D CA -0.527 53.461 54.000 -0.020 0.000 0.813 234 D CB -0.833 39.993 40.800 0.044 0.000 1.108 234 D HN 0.119 nan 8.370 nan 0.000 0.524 235 F N 0.618 120.603 119.950 0.057 0.000 2.884 235 F HA -0.274 4.253 4.527 -0.000 0.000 0.294 235 F C 1.716 177.564 175.800 0.080 0.000 0.723 235 F CA 0.760 58.800 58.000 0.067 0.000 1.294 235 F CB -2.521 36.427 39.000 -0.086 0.000 1.551 235 F HN 0.153 nan 8.300 nan 0.000 0.363 236 S N -0.744 115.047 115.700 0.151 0.000 2.496 236 S HA 0.189 4.659 4.470 -0.000 0.000 0.224 236 S C 0.706 175.341 174.600 0.057 0.000 0.996 236 S CA 0.312 58.567 58.200 0.092 0.000 0.927 236 S CB 0.302 63.534 63.200 0.053 0.000 0.774 236 S HN 0.466 nan 8.310 nan 0.000 0.524 237 R N 0.165 120.702 120.500 0.063 0.000 2.604 237 R HA 0.789 5.129 4.340 -0.000 0.000 0.281 237 R C -1.159 175.152 176.300 0.018 0.000 1.020 237 R CA -0.271 55.834 56.100 0.008 0.000 0.899 237 R CB 2.204 32.493 30.300 -0.017 0.000 1.205 237 R HN 0.260 nan 8.270 nan 0.000 0.450 238 A N 1.618 124.382 122.820 -0.092 0.000 2.530 238 A HA 0.846 5.166 4.320 -0.000 0.000 0.288 238 A C -1.346 176.120 177.584 -0.197 0.000 1.172 238 A CA -0.705 51.193 52.037 -0.233 0.000 0.733 238 A CB 2.147 20.872 19.000 -0.457 0.000 1.320 238 A HN 0.330 nan 8.150 nan 0.000 0.419 239 V N 0.802 120.589 119.914 -0.213 0.000 2.567 239 V HA 0.399 4.519 4.120 -0.000 0.000 0.298 239 V C -1.018 175.032 176.094 -0.074 0.000 1.047 239 V CA -0.273 61.957 62.300 -0.117 0.000 0.880 239 V CB 1.377 33.129 31.823 -0.118 0.000 1.009 239 V HN 0.866 nan 8.190 nan 0.000 0.429 240 L N 4.624 125.844 121.223 -0.005 0.000 2.312 240 L HA 0.604 4.944 4.340 -0.000 0.000 0.281 240 L C -0.015 176.822 176.870 -0.055 0.000 1.070 240 L CA 0.602 55.425 54.840 -0.028 0.000 0.805 240 L CB 1.123 43.182 42.059 0.000 0.000 1.174 240 L HN 0.685 nan 8.230 nan 0.000 0.434 241 E N 4.046 124.206 120.200 -0.067 0.000 2.191 241 E HA 0.646 4.996 4.350 -0.000 0.000 0.263 241 E C -1.314 175.268 176.600 -0.030 0.000 0.881 241 E CA -0.803 55.567 56.400 -0.049 0.000 0.757 241 E CB 1.716 31.386 29.700 -0.050 0.000 1.147 241 E HN 0.779 nan 8.360 nan 0.000 0.414 242 A N 3.819 126.626 122.820 -0.021 0.000 2.342 242 A HA 0.495 4.815 4.320 -0.000 0.000 0.323 242 A C -0.693 176.876 177.584 -0.025 0.000 1.125 242 A CA -0.611 51.433 52.037 0.012 0.000 0.785 242 A CB 1.282 20.302 19.000 0.033 0.000 1.221 242 A HN 0.675 nan 8.150 nan 0.000 0.463 243 E N 1.877 122.057 120.200 -0.033 0.000 2.210 243 E HA 0.610 4.960 4.350 -0.000 0.000 0.266 243 E C -1.647 174.885 176.600 -0.113 0.000 0.883 243 E CA -0.513 55.818 56.400 -0.116 0.000 0.761 243 E CB 1.740 31.330 29.700 -0.183 0.000 1.156 243 E HN 0.419 nan 8.360 nan 0.000 0.412 244 V N 3.733 123.566 119.914 -0.134 0.000 2.769 244 V HA 0.412 4.532 4.120 -0.000 0.000 0.312 244 V C -0.611 175.452 176.094 -0.051 0.000 1.061 244 V CA -0.832 61.425 62.300 -0.072 0.000 0.931 244 V CB 1.807 33.561 31.823 -0.115 0.000 1.010 244 V HN 0.745 nan 8.190 nan 0.000 0.433 245 Q N 3.706 123.537 119.800 0.053 0.000 2.375 245 Q HA 0.851 5.191 4.340 -0.000 0.000 0.271 245 Q C -0.906 175.192 176.000 0.162 0.000 1.074 245 Q CA -0.844 55.029 55.803 0.117 0.000 0.808 245 Q CB 2.793 31.539 28.738 0.012 0.000 1.327 245 Q HN 0.837 nan 8.270 nan 0.000 0.441 246 M N -0.938 118.754 119.600 0.153 0.000 2.658 246 M HA 0.803 5.283 4.480 -0.000 0.000 0.295 246 M C -1.436 174.803 176.300 -0.103 0.000 1.248 246 M CA -0.433 54.858 55.300 -0.015 0.000 0.843 246 M CB 2.009 34.496 32.600 -0.188 0.000 1.749 246 M HN 0.603 nan 8.290 nan 0.000 0.464 247 C N 0.611 119.830 119.300 -0.135 0.000 2.719 247 C HA 1.026 5.486 4.460 -0.000 0.000 0.327 247 C C 0.714 175.611 174.990 -0.155 0.000 1.238 247 C CA 0.818 59.764 59.018 -0.122 0.000 1.727 247 C CB 1.228 28.913 27.740 -0.091 0.000 2.256 247 C HN 1.412 nan 8.230 nan 0.000 0.489 248 G N 1.910 110.633 108.800 -0.128 0.000 2.428 248 G HA2 -0.082 3.878 3.960 -0.000 0.000 0.202 248 G HA3 -0.082 3.878 3.960 -0.000 0.000 0.202 248 G C -0.928 173.889 174.900 -0.138 0.000 1.247 248 G CA -0.609 44.415 45.100 -0.127 0.000 1.020 248 G HN 0.783 nan 8.290 nan 0.000 0.529 249 E N 0.634 120.755 120.200 -0.130 0.000 1.932 249 E HA 0.422 4.772 4.350 -0.000 0.000 0.275 249 E C 0.759 177.246 176.600 -0.188 0.000 1.159 249 E CA -0.268 56.059 56.400 -0.121 0.000 0.905 249 E CB 0.443 30.103 29.700 -0.067 0.000 1.059 249 E HN 0.460 nan 8.360 nan 0.000 0.400 250 L N 3.928 125.027 121.223 -0.207 0.000 2.540 250 L HA 0.085 4.425 4.340 -0.000 0.000 0.276 250 L C 0.225 176.953 176.870 -0.237 0.000 1.212 250 L CA 0.868 55.545 54.840 -0.272 0.000 0.893 250 L CB 0.252 42.183 42.059 -0.212 0.000 1.138 250 L HN 0.475 nan 8.230 nan 0.000 0.491 251 R N 2.472 122.760 120.500 -0.352 0.000 2.523 251 R HA 0.050 4.390 4.340 -0.000 0.000 0.278 251 R C 0.528 176.536 176.300 -0.487 0.000 1.150 251 R CA -0.538 55.329 56.100 -0.387 0.000 0.987 251 R CB 1.170 31.216 30.300 -0.423 0.000 1.232 251 R HN 0.789 nan 8.270 nan 0.000 0.424 252 D N 3.237 123.518 120.400 -0.198 0.000 2.322 252 D HA -0.257 4.383 4.640 -0.000 0.000 0.210 252 D C 0.916 177.165 176.300 -0.085 0.000 0.983 252 D CA 1.681 55.624 54.000 -0.094 0.000 0.902 252 D CB 0.071 40.871 40.800 0.001 0.000 0.905 252 D HN 0.702 nan 8.370 nan 0.000 0.483 253 Y N 0.302 120.588 120.300 -0.024 0.000 2.517 253 Y HA 0.316 4.866 4.550 -0.000 0.000 0.281 253 Y C 1.172 177.044 175.900 -0.047 0.000 1.125 253 Y CA -0.799 57.285 58.100 -0.028 0.000 1.283 253 Y CB -0.525 37.921 38.460 -0.024 0.000 1.042 253 Y HN -0.201 nan 8.280 nan 0.000 0.547 254 L N 2.447 123.309 121.223 -0.601 0.000 2.453 254 L HA 0.286 4.626 4.340 -0.000 0.000 0.272 254 L C 0.156 176.940 176.870 -0.144 0.000 1.182 254 L CA 0.058 54.700 54.840 -0.329 0.000 0.858 254 L CB 0.260 42.106 42.059 -0.356 0.000 1.120 254 L HN 0.163 nan 8.230 nan 0.000 0.474 255 R N 1.520 121.875 120.500 -0.242 0.000 2.987 255 R HA 0.846 5.186 4.340 -0.000 0.000 0.248 255 R C -1.468 174.658 176.300 -0.289 0.000 1.264 255 R CA -0.869 55.047 56.100 -0.305 0.000 1.026 255 R CB 2.098 32.069 30.300 -0.547 0.000 1.286 255 R HN 0.324 nan 8.270 nan 0.000 0.483 256 V N -0.073 119.741 119.914 -0.167 0.000 2.817 256 V HA 0.495 4.615 4.120 -0.000 0.000 0.303 256 V C -1.121 175.032 176.094 0.098 0.000 1.151 256 V CA -0.706 61.588 62.300 -0.011 0.000 0.929 256 V CB 2.485 34.205 31.823 -0.171 0.000 1.030 256 V HN 0.791 nan 8.190 nan 0.000 0.427 257 T N 3.413 118.074 114.554 0.179 0.000 2.863 257 T HA 0.730 5.080 4.350 -0.000 0.000 0.285 257 T C -0.883 173.830 174.700 0.022 0.000 1.009 257 T CA -0.574 61.582 62.100 0.093 0.000 0.989 257 T CB 2.019 70.939 68.868 0.086 0.000 1.004 257 T HN 0.393 nan 8.240 nan 0.000 0.455 258 V N 2.968 122.883 119.914 0.001 0.000 2.447 258 V HA 0.475 4.595 4.120 -0.000 0.000 0.292 258 V C -0.452 175.640 176.094 -0.002 0.000 1.021 258 V CA -0.854 61.443 62.300 -0.004 0.000 0.850 258 V CB 1.592 33.404 31.823 -0.018 0.000 1.005 258 V HN 1.025 nan 8.190 nan 0.000 0.426 259 S N 5.705 121.429 115.700 0.040 0.000 2.454 259 S HA 0.753 5.223 4.470 -0.000 0.000 0.306 259 S C -0.714 173.899 174.600 0.023 0.000 1.100 259 S CA -0.597 57.607 58.200 0.007 0.000 1.087 259 S CB 2.135 65.418 63.200 0.138 0.000 1.019 259 S HN 0.501 nan 8.310 nan 0.000 0.480 260 L N 3.430 124.559 121.223 -0.157 0.000 2.295 260 L HA 0.577 4.917 4.340 -0.000 0.000 0.281 260 L C -1.697 175.062 176.870 -0.184 0.000 1.018 260 L CA -0.446 54.360 54.840 -0.057 0.000 0.841 260 L CB -0.010 42.014 42.059 -0.059 0.000 1.218 260 L HN 0.753 nan 8.230 nan 0.000 0.424 261 W N 3.682 125.065 121.300 0.138 0.000 2.438 261 W HA 0.556 5.216 4.660 -0.000 0.000 0.324 261 W C 0.027 176.692 176.519 0.243 0.000 1.119 261 W CA -0.406 57.025 57.345 0.144 0.000 1.221 261 W CB 1.115 30.617 29.460 0.069 0.000 1.253 261 W HN 0.451 nan 8.180 nan 0.000 0.555 262 Q N 3.112 123.158 119.800 0.410 0.000 2.798 262 Q HA 0.485 4.824 4.340 -0.000 0.000 0.250 262 Q C 0.449 176.564 176.000 0.191 0.000 1.006 262 Q CA 0.270 56.215 55.803 0.236 0.000 0.759 262 Q CB 0.353 29.192 28.738 0.168 0.000 1.201 262 Q HN 0.772 nan 8.270 nan 0.000 0.486 263 G N 2.098 111.007 108.800 0.182 0.000 2.598 263 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.244 263 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.244 263 G C 0.063 175.095 174.900 0.221 0.000 1.302 263 G CA 0.010 45.189 45.100 0.132 0.000 0.903 263 G HN 0.640 nan 8.290 nan 0.000 0.575 264 E N 0.632 120.922 120.200 0.150 0.000 2.357 264 E HA 0.231 4.581 4.350 -0.000 0.000 0.194 264 E C 0.279 177.104 176.600 0.374 0.000 1.177 264 E CA 0.737 57.242 56.400 0.177 0.000 0.998 264 E CB -0.331 29.410 29.700 0.068 0.000 1.106 264 E HN 0.431 nan 8.360 nan 0.000 0.470 265 T N 0.207 115.021 114.554 0.433 0.000 2.829 265 T HA 0.185 4.535 4.350 -0.000 0.000 0.280 265 T C -0.511 174.217 174.700 0.046 0.000 0.999 265 T CA -0.632 61.631 62.100 0.271 0.000 0.983 265 T CB 1.944 70.886 68.868 0.123 0.000 0.968 265 T HN 0.079 nan 8.240 nan 0.000 0.446 266 Q N 1.853 121.392 119.800 -0.435 0.000 2.261 266 Q HA 0.408 4.748 4.340 -0.000 0.000 0.252 266 Q C -0.027 175.695 176.000 -0.463 0.000 0.915 266 Q CA -0.320 54.842 55.803 -1.069 0.000 0.915 266 Q CB 1.039 29.119 28.738 -1.097 0.000 1.204 266 Q HN 0.530 nan 8.270 nan 0.000 0.421 267 V N 1.525 121.195 119.914 -0.407 0.000 3.572 267 V HA 0.415 4.535 4.120 -0.000 0.000 0.260 267 V C -0.267 175.714 176.094 -0.188 0.000 1.324 267 V CA 0.700 62.889 62.300 -0.186 0.000 1.068 267 V CB 1.024 32.818 31.823 -0.048 0.000 0.837 267 V HN 0.766 nan 8.190 nan 0.000 0.450 268 A N -0.949 121.721 122.820 -0.250 0.000 2.583 268 A HA 0.737 5.057 4.320 -0.000 0.000 0.298 268 A C -0.828 176.640 177.584 -0.193 0.000 1.055 268 A CA -0.065 51.861 52.037 -0.184 0.000 0.714 268 A CB 1.718 20.638 19.000 -0.134 0.000 1.277 268 A HN -0.008 nan 8.150 nan 0.000 0.406 269 S N -0.613 115.003 115.700 -0.140 0.000 2.661 269 S HA 0.957 5.427 4.470 -0.000 0.000 0.285 269 S C -0.296 174.264 174.600 -0.067 0.000 1.138 269 S CA 0.107 58.244 58.200 -0.105 0.000 0.855 269 S CB 2.023 65.162 63.200 -0.102 0.000 1.136 269 S HN 2.334 nan 8.310 nan 0.000 0.484 270 G N 0.909 109.682 108.800 -0.044 0.000 2.733 270 G HA2 0.559 4.519 3.960 -0.000 0.000 0.297 270 G HA3 0.559 4.519 3.960 -0.000 0.000 0.297 270 G C -1.558 173.333 174.900 -0.014 0.000 1.452 270 G CA -0.411 44.668 45.100 -0.034 0.000 0.940 270 G HN 0.704 nan 8.290 nan 0.000 0.547 271 T N -0.364 114.184 114.554 -0.009 0.000 2.903 271 T HA 0.930 5.280 4.350 -0.000 0.000 0.299 271 T C -0.245 174.440 174.700 -0.025 0.000 1.093 271 T CA 0.018 62.125 62.100 0.012 0.000 1.002 271 T CB 1.930 70.837 68.868 0.065 0.000 1.127 271 T HN 1.901 nan 8.240 nan 0.000 0.488 272 A N 2.504 125.293 122.820 -0.052 0.000 2.586 272 A HA 0.884 5.204 4.320 -0.000 0.000 0.291 272 A C -3.248 174.264 177.584 -0.121 0.000 1.062 272 A CA -1.471 50.515 52.037 -0.085 0.000 0.666 272 A CB 1.147 20.086 19.000 -0.102 0.000 1.281 272 A HN 0.533 nan 8.150 nan 0.000 0.421 273 P HA 0.622 nan 4.420 nan 0.000 0.283 273 P C -0.267 176.986 177.300 -0.078 0.000 1.271 273 P CA -0.396 62.675 63.100 -0.048 0.000 0.841 273 P CB 0.432 32.124 31.700 -0.012 0.000 1.122 274 F N 0.679 120.574 119.950 -0.091 0.000 2.373 274 F HA 0.349 4.876 4.527 -0.000 0.000 0.285 274 F C 1.650 177.425 175.800 -0.043 0.000 1.256 274 F CA 2.020 59.978 58.000 -0.070 0.000 1.297 274 F CB -0.625 38.324 39.000 -0.085 0.000 1.400 274 F HN 0.636 nan 8.300 nan 0.000 0.505 275 G N 0.153 109.070 108.800 0.196 0.000 3.137 275 G HA2 0.285 4.245 3.960 -0.000 0.000 0.686 275 G HA3 0.285 4.245 3.960 -0.000 0.000 0.686 275 G C -0.422 174.506 174.900 0.046 0.000 0.988 275 G CA -0.602 44.564 45.100 0.111 0.000 0.789 275 G HN 1.093 nan 8.290 nan 0.000 0.544 276 G N 1.065 109.909 108.800 0.074 0.000 2.509 276 G HA2 0.813 4.773 3.960 -0.000 0.000 0.328 276 G HA3 0.813 4.773 3.960 -0.000 0.000 0.328 276 G C 0.191 175.115 174.900 0.039 0.000 1.194 276 G CA -0.122 45.011 45.100 0.054 0.000 0.967 276 G HN 1.043 nan 8.290 nan 0.000 0.488 277 E N -0.591 119.624 120.200 0.026 0.000 2.428 277 E HA 0.171 4.521 4.350 -0.000 0.000 0.257 277 E C -0.278 176.332 176.600 0.016 0.000 1.197 277 E CA -0.264 56.145 56.400 0.014 0.000 0.974 277 E CB 0.941 30.644 29.700 0.006 0.000 0.976 277 E HN 0.294 nan 8.360 nan 0.000 0.463 278 I N 2.026 122.596 120.570 0.001 0.000 2.517 278 I HA -0.062 4.108 4.170 -0.000 0.000 0.285 278 I C 1.257 177.370 176.117 -0.007 0.000 1.106 278 I CA 0.390 61.683 61.300 -0.012 0.000 1.402 278 I CB 0.282 38.273 38.000 -0.015 0.000 1.399 278 I HN 0.592 nan 8.210 nan 0.000 0.535 279 I N 2.902 123.461 120.570 -0.018 0.000 3.081 279 I HA 0.180 4.350 4.170 -0.000 0.000 0.274 279 I C 0.037 176.143 176.117 -0.018 0.000 1.178 279 I CA 0.481 61.779 61.300 -0.004 0.000 1.460 279 I CB 0.194 38.214 38.000 0.034 0.000 1.137 279 I HN 0.583 nan 8.210 nan 0.000 0.443 280 D N 0.017 120.393 120.400 -0.040 0.000 3.009 280 D HA 0.162 4.802 4.640 -0.000 0.000 0.318 280 D C 0.307 176.585 176.300 -0.036 0.000 1.273 280 D CA -0.445 53.535 54.000 -0.034 0.000 1.001 280 D CB 0.380 41.160 40.800 -0.034 0.000 1.411 280 D HN -0.147 nan 8.370 nan 0.000 0.577 281 E N -1.061 119.120 120.200 -0.032 0.000 2.463 281 E HA 0.035 4.385 4.350 -0.000 0.000 0.201 281 E C 1.163 177.741 176.600 -0.037 0.000 1.045 281 E CA 0.723 57.105 56.400 -0.029 0.000 0.872 281 E CB -0.068 29.618 29.700 -0.023 0.000 0.797 281 E HN 0.238 nan 8.360 nan 0.000 0.538 282 R N -0.782 119.687 120.500 -0.052 0.000 2.397 282 R HA 0.317 4.657 4.340 -0.000 0.000 0.241 282 R C 0.613 176.870 176.300 -0.072 0.000 0.914 282 R CA 0.511 56.575 56.100 -0.060 0.000 1.071 282 R CB 1.072 31.332 30.300 -0.066 0.000 1.116 282 R HN 0.180 nan 8.270 nan 0.000 0.524 283 G N -0.211 108.545 108.800 -0.073 0.000 2.337 283 G HA2 -0.086 3.874 3.960 -0.000 0.000 0.197 283 G HA3 -0.086 3.874 3.960 -0.000 0.000 0.197 283 G C -0.465 174.373 174.900 -0.103 0.000 1.238 283 G CA -0.676 44.380 45.100 -0.074 0.000 1.119 283 G HN 0.354 nan 8.290 nan 0.000 0.514 284 G N -1.961 106.777 108.800 -0.103 0.000 3.140 284 G HA2 0.644 4.604 3.960 -0.000 0.000 0.271 284 G HA3 0.644 4.604 3.960 -0.000 0.000 0.271 284 G C -1.496 173.302 174.900 -0.170 0.000 1.370 284 G CA -0.777 44.259 45.100 -0.106 0.000 1.014 284 G HN 0.730 nan 8.290 nan 0.000 0.541 285 Y N 0.727 121.035 120.300 0.014 0.000 2.452 285 Y HA 0.419 4.969 4.550 -0.000 0.000 0.348 285 Y C 1.319 177.250 175.900 0.051 0.000 0.985 285 Y CA 0.194 58.311 58.100 0.029 0.000 1.214 285 Y CB 1.698 40.177 38.460 0.032 0.000 1.136 285 Y HN 0.509 nan 8.280 nan 0.000 0.523 286 A N 1.839 124.753 122.820 0.156 0.000 2.238 286 A HA -0.027 4.293 4.320 -0.000 0.000 0.208 286 A C 0.846 178.544 177.584 0.191 0.000 1.177 286 A CA 0.757 52.873 52.037 0.131 0.000 0.804 286 A CB -0.304 18.724 19.000 0.046 0.000 0.823 286 A HN 0.758 nan 8.150 nan 0.000 0.482 287 D N -1.014 119.537 120.400 0.252 0.000 2.538 287 D HA 0.178 4.818 4.640 -0.000 0.000 0.231 287 D C 0.381 176.974 176.300 0.488 0.000 1.229 287 D CA -0.149 53.993 54.000 0.237 0.000 0.828 287 D CB 0.060 40.899 40.800 0.065 0.000 1.035 287 D HN 0.356 nan 8.370 nan 0.000 0.495 288 R N -0.792 119.962 120.500 0.424 0.000 2.855 288 R HA 0.803 5.143 4.340 -0.000 0.000 0.266 288 R C -1.574 174.658 176.300 -0.114 0.000 1.034 288 R CA -1.250 54.935 56.100 0.142 0.000 0.944 288 R CB 2.931 33.219 30.300 -0.019 0.000 1.219 288 R HN -0.043 nan 8.270 nan 0.000 0.474 289 V N 0.500 120.241 119.914 -0.289 0.000 2.924 289 V HA 0.361 4.481 4.120 -0.000 0.000 0.300 289 V C -1.434 174.530 176.094 -0.216 0.000 1.227 289 V CA -0.331 61.781 62.300 -0.314 0.000 0.954 289 V CB 2.643 34.145 31.823 -0.535 0.000 1.055 289 V HN 0.818 nan 8.190 nan 0.000 0.429 290 T N 7.695 122.163 114.554 -0.144 0.000 2.758 290 T HA 0.698 5.048 4.350 -0.000 0.000 0.285 290 T C -0.566 174.078 174.700 -0.094 0.000 0.981 290 T CA -0.165 61.871 62.100 -0.107 0.000 0.965 290 T CB 1.013 69.837 68.868 -0.073 0.000 0.927 290 T HN 0.413 nan 8.240 nan 0.000 0.448 291 L N 3.306 124.478 121.223 -0.085 0.000 2.334 291 L HA 0.650 4.990 4.340 -0.000 0.000 0.270 291 L C 0.472 177.308 176.870 -0.057 0.000 1.018 291 L CA -0.674 54.123 54.840 -0.071 0.000 0.811 291 L CB 1.234 43.252 42.059 -0.068 0.000 1.271 291 L HN 0.415 nan 8.230 nan 0.000 0.443 292 R N 2.761 123.229 120.500 -0.053 0.000 2.502 292 R HA 0.660 5.000 4.340 -0.000 0.000 0.300 292 R C -1.568 174.701 176.300 -0.052 0.000 0.984 292 R CA -0.644 55.425 56.100 -0.051 0.000 0.882 292 R CB 1.518 31.788 30.300 -0.051 0.000 1.180 292 R HN 0.451 nan 8.270 nan 0.000 0.444 293 L N 2.249 123.442 121.223 -0.050 0.000 2.334 293 L HA 0.502 4.842 4.340 -0.000 0.000 0.273 293 L C -0.017 176.816 176.870 -0.061 0.000 1.013 293 L CA -1.033 53.774 54.840 -0.055 0.000 0.816 293 L CB 1.707 43.732 42.059 -0.056 0.000 1.278 293 L HN 0.474 nan 8.230 nan 0.000 0.431 294 N N 1.467 120.123 118.700 -0.072 0.000 2.430 294 N HA 0.514 5.254 4.740 -0.000 0.000 0.292 294 N C -1.195 174.252 175.510 -0.106 0.000 1.051 294 N CA -0.405 52.595 53.050 -0.083 0.000 0.917 294 N CB 2.958 41.403 38.487 -0.071 0.000 1.164 294 N HN 0.174 nan 8.380 nan 0.000 0.484 295 V N 1.751 121.580 119.914 -0.142 0.000 2.577 295 V HA 0.254 4.374 4.120 -0.000 0.000 0.303 295 V C -0.222 175.770 176.094 -0.170 0.000 1.042 295 V CA -0.741 61.440 62.300 -0.199 0.000 0.872 295 V CB 2.040 33.644 31.823 -0.364 0.000 0.998 295 V HN 0.597 nan 8.190 nan 0.000 0.423 296 E N 3.626 123.755 120.200 -0.119 0.000 2.216 296 E HA 0.390 4.740 4.350 -0.000 0.000 0.279 296 E C -0.258 176.305 176.600 -0.061 0.000 0.997 296 E CA -0.532 55.823 56.400 -0.075 0.000 0.817 296 E CB 0.667 30.340 29.700 -0.046 0.000 1.096 296 E HN 0.666 nan 8.360 nan 0.000 0.393 297 N N 2.235 120.918 118.700 -0.030 0.000 2.688 297 N HA -0.116 4.624 4.740 -0.000 0.000 0.258 297 N C -2.580 172.923 175.510 -0.012 0.000 1.016 297 N CA 0.302 53.352 53.050 -0.001 0.000 0.747 297 N CB -1.161 37.331 38.487 0.008 0.000 0.895 297 N HN 0.323 nan 8.380 nan 0.000 0.543 298 P HA 0.159 nan 4.420 nan 0.000 0.274 298 P C -0.044 177.294 177.300 0.064 0.000 1.231 298 P CA 0.043 63.059 63.100 -0.141 0.000 0.790 298 P CB 0.777 32.114 31.700 -0.604 0.000 0.951 299 K N 2.111 122.654 120.400 0.239 0.000 2.285 299 K HA 0.319 4.639 4.320 -0.000 0.000 0.286 299 K C 0.035 176.783 176.600 0.247 0.000 1.072 299 K CA -0.392 55.993 56.287 0.164 0.000 0.913 299 K CB 0.130 32.677 32.500 0.077 0.000 1.067 299 K HN 0.382 nan 8.250 nan 0.000 0.479 300 L N 2.120 123.421 121.223 0.130 0.000 2.436 300 L HA 0.300 4.640 4.340 -0.000 0.000 0.265 300 L C 0.151 177.101 176.870 0.134 0.000 1.168 300 L CA -0.706 54.227 54.840 0.155 0.000 0.815 300 L CB 0.268 42.263 42.059 -0.108 0.000 1.109 300 L HN 0.619 nan 8.230 nan 0.000 0.462 301 W N 2.397 123.715 121.300 0.031 0.000 2.375 301 W HA 0.527 5.187 4.660 -0.000 0.000 0.336 301 W C -0.030 176.437 176.519 -0.086 0.000 1.160 301 W CA 0.202 57.549 57.345 0.004 0.000 1.266 301 W CB 1.369 30.881 29.460 0.088 0.000 1.195 301 W HN 0.715 nan 8.180 nan 0.000 0.599 302 S N 2.401 117.527 115.700 -0.956 0.000 2.645 302 S HA 0.465 4.935 4.470 -0.000 0.000 0.268 302 S C -0.085 173.801 174.600 -1.191 0.000 1.110 302 S CA -0.344 57.348 58.200 -0.847 0.000 0.823 302 S CB 0.534 63.473 63.200 -0.436 0.000 1.091 302 S HN 1.183 nan 8.310 nan 0.000 0.466 303 A N 0.818 123.268 122.820 -0.616 0.000 1.930 303 A HA 0.056 4.376 4.320 -0.000 0.000 0.217 303 A C 1.744 179.077 177.584 -0.418 0.000 1.175 303 A CA 1.654 53.268 52.037 -0.705 0.000 0.627 303 A CB -1.111 17.273 19.000 -1.027 0.000 0.815 303 A HN 0.888 nan 8.150 nan 0.000 0.443 304 E N -0.705 119.365 120.200 -0.218 0.000 2.150 304 E HA -0.006 4.344 4.350 -0.000 0.000 0.193 304 E C -0.200 176.283 176.600 -0.196 0.000 0.985 304 E CA 0.767 57.076 56.400 -0.151 0.000 0.814 304 E CB -0.065 29.640 29.700 0.008 0.000 0.752 304 E HN 0.613 nan 8.360 nan 0.000 0.466 305 I N 0.907 121.307 120.570 -0.284 0.000 2.588 305 I HA 0.151 4.321 4.170 -0.000 0.000 0.278 305 I C -2.736 173.136 176.117 -0.408 0.000 1.144 305 I CA -1.894 59.254 61.300 -0.253 0.000 1.074 305 I CB 2.076 39.971 38.000 -0.175 0.000 1.235 305 I HN -0.249 nan 8.210 nan 0.000 0.472 306 P HA 0.136 nan 4.420 nan 0.000 0.237 306 P C -0.443 176.788 177.300 -0.115 0.000 1.788 306 P CA -0.182 62.576 63.100 -0.571 0.000 1.061 306 P CB -0.194 31.340 31.700 -0.277 0.000 1.967 307 N N 2.143 120.807 118.700 -0.061 0.000 2.475 307 N HA 0.197 4.937 4.740 -0.000 0.000 0.267 307 N C -0.129 175.542 175.510 0.269 0.000 1.169 307 N CA 0.357 53.446 53.050 0.065 0.000 0.947 307 N CB 0.605 39.124 38.487 0.053 0.000 1.061 307 N HN 0.277 nan 8.380 nan 0.000 0.466 308 L N 2.306 123.599 121.223 0.116 0.000 2.350 308 L HA 0.504 4.844 4.340 -0.000 0.000 0.260 308 L C -1.114 175.744 176.870 -0.019 0.000 1.015 308 L CA -0.849 54.094 54.840 0.172 0.000 0.821 308 L CB 1.564 43.731 42.059 0.180 0.000 1.370 308 L HN 0.424 nan 8.230 nan 0.000 0.416 309 Y N 0.041 120.456 120.300 0.192 0.000 2.545 309 Y HA 0.551 5.101 4.550 -0.000 0.000 0.348 309 Y C -0.312 175.681 175.900 0.154 0.000 1.002 309 Y CA -0.777 57.441 58.100 0.196 0.000 1.039 309 Y CB 2.247 40.862 38.460 0.259 0.000 1.271 309 Y HN 0.402 nan 8.280 nan 0.000 0.467 310 R N 1.359 122.073 120.500 0.356 0.000 2.407 310 R HA 0.845 5.185 4.340 -0.000 0.000 0.303 310 R C -1.346 175.136 176.300 0.303 0.000 0.981 310 R CA -0.436 55.821 56.100 0.262 0.000 0.905 310 R CB 1.019 31.429 30.300 0.183 0.000 1.099 310 R HN 0.776 nan 8.270 nan 0.000 0.459 311 A N 3.631 126.576 122.820 0.209 0.000 2.318 311 A HA 0.630 4.950 4.320 -0.000 0.000 0.324 311 A C -1.222 176.451 177.584 0.147 0.000 1.170 311 A CA -0.666 51.480 52.037 0.181 0.000 0.810 311 A CB 1.428 20.509 19.000 0.135 0.000 1.198 311 A HN 0.481 nan 8.150 nan 0.000 0.484 312 V N 2.629 122.628 119.914 0.142 0.000 2.483 312 V HA 0.464 4.584 4.120 -0.000 0.000 0.297 312 V C -0.531 175.567 176.094 0.007 0.000 1.027 312 V CA -0.613 61.722 62.300 0.059 0.000 0.855 312 V CB 1.551 33.425 31.823 0.085 0.000 0.995 312 V HN 0.633 nan 8.190 nan 0.000 0.424 313 V N 4.137 124.000 119.914 -0.084 0.000 2.293 313 V HA 0.413 4.533 4.120 -0.000 0.000 0.275 313 V C 0.099 176.140 176.094 -0.090 0.000 1.021 313 V CA -0.655 61.568 62.300 -0.128 0.000 0.815 313 V CB 0.769 32.403 31.823 -0.316 0.000 1.025 313 V HN 0.972 nan 8.190 nan 0.000 0.448 314 E N 4.588 124.773 120.200 -0.024 0.000 2.266 314 E HA 0.626 4.976 4.350 -0.000 0.000 0.277 314 E C -0.859 175.822 176.600 0.136 0.000 1.018 314 E CA -0.890 55.522 56.400 0.020 0.000 0.840 314 E CB 2.582 32.255 29.700 -0.045 0.000 1.082 314 E HN 0.471 nan 8.360 nan 0.000 0.395 315 L N 3.974 125.294 121.223 0.163 0.000 2.372 315 L HA 0.350 4.690 4.340 -0.000 0.000 0.273 315 L C -1.068 175.950 176.870 0.247 0.000 0.989 315 L CA -0.140 54.809 54.840 0.182 0.000 0.841 315 L CB 0.814 42.910 42.059 0.061 0.000 1.225 315 L HN 0.688 nan 8.230 nan 0.000 0.414 316 H N 0.959 120.050 119.070 0.036 0.000 2.933 316 H HA 0.572 5.128 4.556 -0.000 0.000 0.310 316 H C -1.052 174.323 175.328 0.078 0.000 1.351 316 H CA -0.321 55.756 56.048 0.048 0.000 1.137 316 H CB 0.804 30.591 29.762 0.042 0.000 1.853 316 H HN 0.496 nan 8.280 nan 0.000 0.539 317 T N -2.443 112.202 114.554 0.151 0.000 2.909 317 T HA 0.491 4.841 4.350 -0.000 0.000 0.289 317 T C 1.488 176.267 174.700 0.131 0.000 1.005 317 T CA -0.119 62.082 62.100 0.169 0.000 1.084 317 T CB 1.234 70.248 68.868 0.243 0.000 0.975 317 T HN 0.797 nan 8.240 nan 0.000 0.509 318 A N 2.016 124.904 122.820 0.113 0.000 2.093 318 A HA -0.171 4.149 4.320 -0.000 0.000 0.222 318 A C 1.803 179.459 177.584 0.120 0.000 1.162 318 A CA 2.145 54.239 52.037 0.095 0.000 0.655 318 A CB -1.217 17.837 19.000 0.089 0.000 0.805 318 A HN 1.050 nan 8.150 nan 0.000 0.461 319 D N -3.184 117.286 120.400 0.117 0.000 2.269 319 D HA 0.288 4.928 4.640 -0.000 0.000 0.208 319 D C 1.255 177.619 176.300 0.106 0.000 0.963 319 D CA 1.254 55.306 54.000 0.086 0.000 0.864 319 D CB -0.179 40.651 40.800 0.050 0.000 0.936 319 D HN 0.724 nan 8.370 nan 0.000 0.505 320 G N -1.270 107.636 108.800 0.177 0.000 2.260 320 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.179 320 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.179 320 G C 0.313 175.283 174.900 0.116 0.000 1.002 320 G CA -0.034 45.160 45.100 0.158 0.000 0.677 320 G HN 0.336 nan 8.290 nan 0.000 0.486 321 T N 1.992 116.625 114.554 0.131 0.000 2.769 321 T HA 0.441 4.791 4.350 -0.000 0.000 0.293 321 T C 0.471 175.256 174.700 0.142 0.000 0.931 321 T CA 0.064 62.225 62.100 0.101 0.000 1.139 321 T CB 0.829 69.744 68.868 0.078 0.000 0.881 321 T HN 0.509 nan 8.240 nan 0.000 0.532 322 L N 5.052 126.328 121.223 0.088 0.000 2.426 322 L HA 0.312 4.652 4.340 -0.000 0.000 0.271 322 L C 0.773 177.691 176.870 0.080 0.000 1.169 322 L CA 0.376 55.270 54.840 0.091 0.000 0.836 322 L CB 0.514 42.586 42.059 0.022 0.000 1.112 322 L HN 0.647 nan 8.230 nan 0.000 0.465 323 I N 2.329 122.947 120.570 0.081 0.000 3.339 323 I HA 0.215 4.385 4.170 -0.000 0.000 0.285 323 I C 0.047 176.165 176.117 0.001 0.000 1.201 323 I CA 0.395 61.716 61.300 0.035 0.000 1.434 323 I CB 0.118 38.129 38.000 0.018 0.000 1.152 323 I HN 0.779 nan 8.210 nan 0.000 0.443 324 E N 0.099 120.305 120.200 0.009 0.000 2.470 324 E HA 0.563 4.913 4.350 -0.000 0.000 0.287 324 E C -1.790 174.815 176.600 0.009 0.000 1.126 324 E CA -0.794 55.603 56.400 -0.005 0.000 0.902 324 E CB 0.625 30.280 29.700 -0.075 0.000 1.196 324 E HN -0.048 nan 8.360 nan 0.000 0.430 325 A N 2.216 125.077 122.820 0.069 0.000 2.322 325 A HA 0.860 5.180 4.320 -0.000 0.000 0.327 325 A C -0.789 176.880 177.584 0.142 0.000 1.134 325 A CA -0.552 51.530 52.037 0.074 0.000 0.831 325 A CB 1.574 20.620 19.000 0.077 0.000 1.288 325 A HN 0.556 nan 8.150 nan 0.000 0.472 326 E N -1.118 119.122 120.200 0.067 0.000 2.390 326 E HA 0.706 5.056 4.350 -0.000 0.000 0.277 326 E C -0.801 175.833 176.600 0.056 0.000 0.939 326 E CA -0.365 56.102 56.400 0.113 0.000 0.769 326 E CB 2.286 31.887 29.700 -0.165 0.000 1.251 326 E HN 1.081 nan 8.360 nan 0.000 0.450 327 A N 0.220 123.180 122.820 0.233 0.000 2.568 327 A HA 0.894 5.214 4.320 -0.000 0.000 0.291 327 A C -1.155 176.602 177.584 0.287 0.000 1.159 327 A CA -0.250 51.874 52.037 0.146 0.000 0.679 327 A CB 1.156 20.139 19.000 -0.030 0.000 1.285 327 A HN 1.027 nan 8.150 nan 0.000 0.428 328 C N -0.669 118.758 119.300 0.212 0.000 3.275 328 C HA 0.651 5.111 4.460 -0.000 0.000 0.345 328 C C -1.666 173.401 174.990 0.129 0.000 1.257 328 C CA -0.997 58.139 59.018 0.197 0.000 1.203 328 C CB 0.689 28.573 27.740 0.240 0.000 1.492 328 C HN 0.877 nan 8.230 nan 0.000 0.484 329 D N 1.060 121.514 120.400 0.090 0.000 2.304 329 D HA 0.548 5.188 4.640 -0.000 0.000 0.247 329 D C -0.492 175.833 176.300 0.042 0.000 1.089 329 D CA 0.049 54.103 54.000 0.090 0.000 0.910 329 D CB 2.117 42.975 40.800 0.096 0.000 1.199 329 D HN 0.532 nan 8.370 nan 0.000 0.426 330 V N 0.521 120.479 119.914 0.074 0.000 2.789 330 V HA 0.657 4.777 4.120 -0.000 0.000 0.311 330 V C 0.306 176.428 176.094 0.047 0.000 1.073 330 V CA -0.716 61.569 62.300 -0.024 0.000 0.921 330 V CB 2.247 34.025 31.823 -0.075 0.000 1.009 330 V HN 0.716 nan 8.190 nan 0.000 0.426 331 G N 2.265 111.000 108.800 -0.108 0.000 2.542 331 G HA2 0.687 4.647 3.960 -0.000 0.000 0.311 331 G HA3 0.687 4.647 3.960 -0.000 0.000 0.311 331 G C -1.540 173.352 174.900 -0.014 0.000 1.298 331 G CA -0.455 44.677 45.100 0.053 0.000 0.973 331 G HN 0.380 nan 8.290 nan 0.000 0.487 332 F N 1.698 121.833 119.950 0.308 0.000 2.371 332 F HA 0.639 5.166 4.527 -0.000 0.000 0.363 332 F C 0.782 176.804 175.800 0.370 0.000 1.122 332 F CA -0.367 57.858 58.000 0.375 0.000 1.129 332 F CB 1.486 40.756 39.000 0.450 0.000 1.173 332 F HN 0.552 nan 8.300 nan 0.000 0.489 333 R N 1.076 121.880 120.500 0.507 0.000 2.690 333 R HA 0.437 4.777 4.340 -0.000 0.000 0.269 333 R C -1.767 174.666 176.300 0.221 0.000 1.037 333 R CA -1.117 55.112 56.100 0.215 0.000 0.877 333 R CB 1.345 31.752 30.300 0.178 0.000 1.255 333 R HN 0.463 nan 8.270 nan 0.000 0.467 334 E N 1.762 121.993 120.200 0.052 0.000 2.165 334 E HA 0.447 4.797 4.350 -0.000 0.000 0.266 334 E C -1.255 175.392 176.600 0.078 0.000 0.889 334 E CA -0.981 55.514 56.400 0.158 0.000 0.756 334 E CB 1.916 31.765 29.700 0.248 0.000 1.131 334 E HN 0.423 nan 8.360 nan 0.000 0.411 335 V N 5.619 125.575 119.914 0.070 0.000 2.347 335 V HA 0.516 4.636 4.120 -0.000 0.000 0.280 335 V C -0.052 176.069 176.094 0.045 0.000 1.021 335 V CA -0.533 61.782 62.300 0.024 0.000 0.847 335 V CB 1.184 32.997 31.823 -0.017 0.000 0.990 335 V HN 0.642 nan 8.190 nan 0.000 0.444 336 R N 4.122 124.649 120.500 0.045 0.000 2.584 336 R HA 0.637 4.977 4.340 -0.000 0.000 0.276 336 R C -1.582 174.741 176.300 0.038 0.000 1.046 336 R CA -0.682 55.450 56.100 0.052 0.000 0.906 336 R CB 1.960 32.305 30.300 0.075 0.000 1.215 336 R HN 0.675 nan 8.270 nan 0.000 0.449 337 I N 2.621 123.214 120.570 0.038 0.000 2.331 337 I HA 0.272 4.442 4.170 -0.000 0.000 0.292 337 I C -0.367 175.770 176.117 0.032 0.000 0.998 337 I CA -0.078 61.240 61.300 0.030 0.000 1.267 337 I CB 1.640 39.659 38.000 0.031 0.000 1.386 337 I HN 0.562 nan 8.210 nan 0.000 0.476 338 E N 6.256 126.472 120.200 0.026 0.000 2.302 338 E HA 0.214 4.564 4.350 -0.000 0.000 0.263 338 E C -0.618 175.993 176.600 0.018 0.000 0.897 338 E CA -0.495 55.921 56.400 0.026 0.000 0.809 338 E CB 0.742 30.462 29.700 0.032 0.000 1.270 338 E HN 0.565 nan 8.360 nan 0.000 0.410 339 N N 3.432 122.142 118.700 0.017 0.000 2.780 339 N HA -0.194 4.546 4.740 -0.000 0.000 0.247 339 N C 0.334 175.848 175.510 0.007 0.000 1.076 339 N CA 1.766 54.823 53.050 0.012 0.000 0.688 339 N CB -1.235 37.257 38.487 0.010 0.000 0.957 339 N HN 0.959 nan 8.380 nan 0.000 0.551 340 G N -1.643 107.161 108.800 0.007 0.000 2.159 340 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.256 340 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.256 340 G C -0.100 174.797 174.900 -0.005 0.000 0.977 340 G CA 0.533 45.634 45.100 0.001 0.000 0.652 340 G HN 0.484 nan 8.290 nan 0.000 0.531 341 L N 0.209 121.431 121.223 -0.001 0.000 2.333 341 L HA 0.644 4.984 4.340 -0.000 0.000 0.280 341 L C 0.224 177.092 176.870 -0.004 0.000 1.004 341 L CA -1.246 53.590 54.840 -0.007 0.000 0.820 341 L CB 1.819 43.874 42.059 -0.008 0.000 1.247 341 L HN 0.100 nan 8.230 nan 0.000 0.416 342 L N 5.052 126.265 121.223 -0.017 0.000 2.385 342 L HA 0.366 4.706 4.340 -0.000 0.000 0.281 342 L C -0.652 176.208 176.870 -0.017 0.000 1.106 342 L CA 0.522 55.352 54.840 -0.016 0.000 0.856 342 L CB 0.096 42.137 42.059 -0.029 0.000 1.186 342 L HN 0.434 nan 8.230 nan 0.000 0.453 343 L N 5.691 126.915 121.223 0.000 0.000 2.334 343 L HA 0.584 4.924 4.340 -0.000 0.000 0.270 343 L C -0.665 176.211 176.870 0.009 0.000 1.018 343 L CA -0.865 53.982 54.840 0.012 0.000 0.811 343 L CB 1.888 43.971 42.059 0.039 0.000 1.271 343 L HN 0.568 nan 8.230 nan 0.000 0.443 344 L N 2.371 123.612 121.223 0.030 0.000 2.482 344 L HA 0.390 4.730 4.340 -0.000 0.000 0.269 344 L C -0.729 176.192 176.870 0.085 0.000 0.967 344 L CA -0.389 54.477 54.840 0.042 0.000 0.851 344 L CB 1.209 43.281 42.059 0.023 0.000 1.242 344 L HN 0.688 nan 8.230 nan 0.000 0.404 345 N N 3.721 122.344 118.700 -0.127 0.000 2.696 345 N HA -0.229 4.511 4.740 -0.000 0.000 0.249 345 N C 0.842 176.137 175.510 -0.358 0.000 1.090 345 N CA 1.504 54.231 53.050 -0.538 0.000 0.716 345 N CB -1.212 36.818 38.487 -0.762 0.000 1.020 345 N HN 1.135 nan 8.380 nan 0.000 0.548 346 G N -2.547 106.252 108.800 -0.001 0.000 2.234 346 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.235 346 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.235 346 G C -0.028 174.914 174.900 0.070 0.000 0.997 346 G CA 0.590 45.765 45.100 0.124 0.000 0.623 346 G HN 0.388 nan 8.290 nan 0.000 0.514 347 K N 1.025 121.452 120.400 0.046 0.000 2.098 347 K HA 0.604 4.924 4.320 -0.000 0.000 0.258 347 K C -2.889 173.691 176.600 -0.034 0.000 0.973 347 K CA -2.334 53.931 56.287 -0.036 0.000 0.898 347 K CB 1.606 33.989 32.500 -0.195 0.000 1.057 347 K HN 0.053 nan 8.250 nan 0.000 0.447 348 P HA 0.251 nan 4.420 nan 0.000 0.287 348 P C -0.022 177.243 177.300 -0.059 0.000 1.294 348 P CA -0.355 62.718 63.100 -0.045 0.000 0.776 348 P CB 0.574 32.249 31.700 -0.042 0.000 0.889 349 L N 3.776 124.973 121.223 -0.043 0.000 2.461 349 L HA 0.208 4.548 4.340 -0.000 0.000 0.272 349 L C 0.386 177.236 176.870 -0.033 0.000 1.197 349 L CA -0.281 54.544 54.840 -0.025 0.000 0.836 349 L CB 0.519 42.552 42.059 -0.043 0.000 1.105 349 L HN 0.285 nan 8.230 nan 0.000 0.477 350 L N 5.054 126.282 121.223 0.009 0.000 2.442 350 L HA 0.386 4.726 4.340 -0.000 0.000 0.261 350 L C -0.613 176.275 176.870 0.031 0.000 1.000 350 L CA -0.288 54.543 54.840 -0.015 0.000 0.882 350 L CB 0.867 42.938 42.059 0.022 0.000 1.207 350 L HN 0.232 nan 8.230 nan 0.000 0.443 351 I N 4.429 124.952 120.570 -0.078 0.000 2.483 351 I HA 0.158 4.328 4.170 -0.000 0.000 0.291 351 I C 0.642 176.739 176.117 -0.034 0.000 1.112 351 I CA 0.410 61.654 61.300 -0.093 0.000 1.350 351 I CB 0.093 37.929 38.000 -0.273 0.000 1.419 351 I HN 0.547 nan 8.210 nan 0.000 0.523 352 R N 4.663 125.217 120.500 0.090 0.000 3.070 352 R HA 0.532 4.872 4.340 -0.000 0.000 0.252 352 R C 0.554 176.972 176.300 0.197 0.000 1.370 352 R CA -0.244 55.955 56.100 0.165 0.000 1.482 352 R CB 0.804 31.049 30.300 -0.091 0.000 1.220 352 R HN 0.801 nan 8.270 nan 0.000 0.622 353 G N -0.292 108.578 108.800 0.116 0.000 3.140 353 G HA2 0.675 4.635 3.960 -0.000 0.000 0.271 353 G HA3 0.675 4.635 3.960 -0.000 0.000 0.271 353 G C -1.453 173.697 174.900 0.417 0.000 1.370 353 G CA -0.538 44.666 45.100 0.173 0.000 1.014 353 G HN 0.225 nan 8.290 nan 0.000 0.541 354 V N -0.260 119.874 119.914 0.367 0.000 2.924 354 V HA 0.393 4.513 4.120 -0.000 0.000 0.300 354 V C -1.037 175.164 176.094 0.178 0.000 1.227 354 V CA -1.100 61.332 62.300 0.220 0.000 0.954 354 V CB 1.877 33.521 31.823 -0.299 0.000 1.055 354 V HN 0.848 nan 8.190 nan 0.000 0.429 355 N N 4.804 123.572 118.700 0.113 0.000 2.508 355 N HA 0.404 5.144 4.740 -0.000 0.000 0.264 355 N C -0.504 174.851 175.510 -0.258 0.000 1.216 355 N CA -0.355 52.633 53.050 -0.102 0.000 0.943 355 N CB 0.852 39.261 38.487 -0.129 0.000 1.113 355 N HN 0.629 nan 8.380 nan 0.000 0.447 356 R N 1.695 122.013 120.500 -0.304 0.000 2.605 356 R HA 0.173 4.513 4.340 -0.000 0.000 0.291 356 R C -1.316 174.809 176.300 -0.292 0.000 1.226 356 R CA -0.499 55.443 56.100 -0.263 0.000 0.981 356 R CB 0.437 30.580 30.300 -0.261 0.000 1.215 356 R HN 0.644 nan 8.270 nan 0.000 0.428 357 H N 1.389 120.313 119.070 -0.244 0.000 2.671 357 H HA 0.113 4.669 4.556 -0.000 0.000 0.372 357 H C -0.263 175.060 175.328 -0.009 0.000 1.227 357 H CA 0.593 56.585 56.048 -0.093 0.000 1.426 357 H CB 0.997 30.744 29.762 -0.025 0.000 1.480 357 H HN 0.478 nan 8.280 nan 0.000 0.611 358 E N 1.356 121.732 120.200 0.294 0.000 2.046 358 E HA 0.210 4.560 4.350 -0.000 0.000 0.279 358 E C -0.993 175.727 176.600 0.201 0.000 0.989 358 E CA -0.281 56.200 56.400 0.135 0.000 0.798 358 E CB 0.942 30.683 29.700 0.069 0.000 1.086 358 E HN 0.468 nan 8.360 nan 0.000 0.399 359 H N 1.505 120.605 119.070 0.050 0.000 2.954 359 H HA 0.234 4.790 4.556 -0.000 0.000 0.361 359 H C -1.737 173.629 175.328 0.063 0.000 1.122 359 H CA -0.609 55.466 56.048 0.045 0.000 1.217 359 H CB 1.232 31.008 29.762 0.023 0.000 1.776 359 H HN 0.499 nan 8.280 nan 0.000 0.533 360 H N 6.373 125.101 119.070 -0.569 0.000 2.658 360 H HA 0.194 4.750 4.556 -0.000 0.000 0.337 360 H C -2.212 172.752 175.328 -0.607 0.000 1.009 360 H CA -2.392 53.410 56.048 -0.411 0.000 1.231 360 H CB 2.595 32.233 29.762 -0.208 0.000 1.508 360 H HN 0.546 nan 8.280 nan 0.000 0.517 361 P HA -0.105 nan 4.420 nan 0.000 0.218 361 P C 1.317 178.392 177.300 -0.375 0.000 1.149 361 P CA 0.777 63.616 63.100 -0.434 0.000 0.817 361 P CB 0.847 32.331 31.700 -0.361 0.000 0.785 362 L N -1.881 119.108 121.223 -0.390 0.000 2.286 362 L HA 0.068 4.408 4.340 -0.000 0.000 0.203 362 L C 2.569 179.424 176.870 -0.026 0.000 1.068 362 L CA 0.836 55.570 54.840 -0.175 0.000 0.811 362 L CB -0.657 41.263 42.059 -0.231 0.000 0.989 362 L HN -0.013 nan 8.230 nan 0.000 0.467 363 H N -0.899 118.413 119.070 0.403 0.000 2.535 363 H HA 0.161 4.717 4.556 -0.000 0.000 0.273 363 H C 1.458 176.695 175.328 -0.152 0.000 0.983 363 H CA 0.177 56.198 56.048 -0.044 0.000 1.238 363 H CB 0.291 29.855 29.762 -0.330 0.000 1.412 363 H HN 0.433 nan 8.280 nan 0.000 0.562 364 G N 1.172 109.899 108.800 -0.122 0.000 2.552 364 G HA2 -0.344 3.616 3.960 -0.000 0.000 0.267 364 G HA3 -0.344 3.616 3.960 -0.000 0.000 0.267 364 G C 0.381 175.140 174.900 -0.234 0.000 1.174 364 G CA 0.136 45.070 45.100 -0.278 0.000 0.955 364 G HN 0.431 nan 8.290 nan 0.000 0.546 365 Q N -0.006 119.689 119.800 -0.176 0.000 2.212 365 Q HA 0.480 4.820 4.340 -0.000 0.000 0.213 365 Q C 0.049 176.045 176.000 -0.006 0.000 0.874 365 Q CA -0.071 55.654 55.803 -0.129 0.000 0.965 365 Q CB 1.199 29.765 28.738 -0.285 0.000 1.074 365 Q HN 0.324 nan 8.270 nan 0.000 0.473 366 V N 1.970 121.885 119.914 0.003 0.000 2.370 366 V HA 0.237 4.357 4.120 -0.000 0.000 0.279 366 V C 0.100 176.166 176.094 -0.047 0.000 1.029 366 V CA -0.295 62.015 62.300 0.017 0.000 0.870 366 V CB 1.160 32.954 31.823 -0.049 0.000 0.984 366 V HN 0.348 nan 8.190 nan 0.000 0.451 367 M N 4.471 124.022 119.600 -0.081 0.000 2.368 367 M HA 0.521 5.001 4.480 -0.000 0.000 0.311 367 M C -0.354 175.791 176.300 -0.258 0.000 1.168 367 M CA -0.391 54.808 55.300 -0.169 0.000 1.044 367 M CB 1.405 33.876 32.600 -0.215 0.000 1.506 367 M HN 0.936 nan 8.290 nan 0.000 0.475 368 D N -1.873 118.416 120.400 -0.184 0.000 2.599 368 D HA 0.275 4.915 4.640 -0.000 0.000 0.252 368 D C 0.107 176.387 176.300 -0.033 0.000 1.232 368 D CA -0.638 53.282 54.000 -0.133 0.000 0.819 368 D CB 1.094 41.843 40.800 -0.086 0.000 1.401 368 D HN 0.524 nan 8.370 nan 0.000 0.429 369 E N -0.273 119.940 120.200 0.021 0.000 2.021 369 E HA -0.292 4.058 4.350 -0.000 0.000 0.200 369 E C 1.581 178.248 176.600 0.111 0.000 1.015 369 E CA 1.633 58.092 56.400 0.098 0.000 0.824 369 E CB -0.072 29.698 29.700 0.117 0.000 0.762 369 E HN 0.495 nan 8.360 nan 0.000 0.454 370 Q N -0.147 119.710 119.800 0.094 0.000 1.991 370 Q HA -0.244 4.096 4.340 -0.000 0.000 0.213 370 Q C 2.370 178.441 176.000 0.118 0.000 1.022 370 Q CA 2.563 58.428 55.803 0.104 0.000 0.877 370 Q CB -0.770 28.025 28.738 0.095 0.000 0.970 370 Q HN 0.338 nan 8.270 nan 0.000 0.414 371 T N 1.553 116.177 114.554 0.117 0.000 2.597 371 T HA -0.233 4.117 4.350 -0.000 0.000 0.267 371 T C 1.994 176.783 174.700 0.149 0.000 1.053 371 T CA 1.944 64.129 62.100 0.141 0.000 1.165 371 T CB -0.355 68.599 68.868 0.142 0.000 0.863 371 T HN 0.267 nan 8.240 nan 0.000 0.427 372 M N 0.661 120.349 119.600 0.146 0.000 2.226 372 M HA -0.189 4.291 4.480 -0.000 0.000 0.257 372 M C 2.490 178.947 176.300 0.261 0.000 1.070 372 M CA 1.855 57.308 55.300 0.255 0.000 1.087 372 M CB -1.080 31.704 32.600 0.307 0.000 1.278 372 M HN 0.151 nan 8.290 nan 0.000 0.426 373 V N -0.152 119.860 119.914 0.164 0.000 2.407 373 V HA -0.291 3.829 4.120 -0.000 0.000 0.248 373 V C 2.313 178.415 176.094 0.013 0.000 1.055 373 V CA 2.198 64.519 62.300 0.035 0.000 1.049 373 V CB -1.271 30.586 31.823 0.057 0.000 0.662 373 V HN 0.575 nan 8.190 nan 0.000 0.455 374 Q N 0.275 120.133 119.800 0.097 0.000 2.045 374 Q HA -0.309 4.031 4.340 -0.000 0.000 0.206 374 Q C 2.078 178.176 176.000 0.164 0.000 0.991 374 Q CA 2.454 58.329 55.803 0.121 0.000 0.851 374 Q CB -0.229 28.592 28.738 0.139 0.000 0.911 374 Q HN 0.634 nan 8.270 nan 0.000 0.418 375 D N 0.342 120.874 120.400 0.221 0.000 2.092 375 D HA -0.181 4.459 4.640 -0.000 0.000 0.193 375 D C 2.000 178.364 176.300 0.106 0.000 0.994 375 D CA 1.462 55.646 54.000 0.307 0.000 0.828 375 D CB -0.399 40.572 40.800 0.285 0.000 0.963 375 D HN 0.350 nan 8.370 nan 0.000 0.450 376 I N 0.775 121.366 120.570 0.034 0.000 2.087 376 I HA -0.321 3.849 4.170 -0.000 0.000 0.240 376 I C 2.531 178.561 176.117 -0.145 0.000 1.054 376 I CA 1.056 62.271 61.300 -0.141 0.000 1.311 376 I CB -0.349 37.472 38.000 -0.298 0.000 1.024 376 I HN 0.019 nan 8.210 nan 0.000 0.402 377 L N -0.112 121.048 121.223 -0.105 0.000 2.042 377 L HA -0.251 4.089 4.340 -0.000 0.000 0.210 377 L C 2.578 179.526 176.870 0.129 0.000 1.076 377 L CA 1.378 56.233 54.840 0.025 0.000 0.749 377 L CB -0.714 41.389 42.059 0.073 0.000 0.893 377 L HN 0.299 nan 8.230 nan 0.000 0.432 378 L N -0.853 120.477 121.223 0.178 0.000 1.970 378 L HA -0.272 4.068 4.340 -0.000 0.000 0.212 378 L C 2.784 179.820 176.870 0.277 0.000 1.071 378 L CA 1.604 56.623 54.840 0.299 0.000 0.751 378 L CB -0.402 41.937 42.059 0.468 0.000 0.889 378 L HN 0.272 nan 8.230 nan 0.000 0.432 379 M N -0.747 118.902 119.600 0.082 0.000 2.082 379 M HA -0.271 4.209 4.480 -0.000 0.000 0.258 379 M C 2.354 178.686 176.300 0.052 0.000 1.069 379 M CA 1.808 57.062 55.300 -0.078 0.000 1.102 379 M CB -0.476 31.858 32.600 -0.443 0.000 1.336 379 M HN 0.154 nan 8.290 nan 0.000 0.404 380 K N 0.357 120.698 120.400 -0.097 0.000 1.991 380 K HA -0.216 4.104 4.320 -0.000 0.000 0.212 380 K C 1.877 178.373 176.600 -0.174 0.000 1.049 380 K CA 1.817 57.915 56.287 -0.314 0.000 0.932 380 K CB -0.520 31.594 32.500 -0.645 0.000 0.717 380 K HN 0.488 nan 8.250 nan 0.000 0.441 381 Q N 0.476 120.336 119.800 0.099 0.000 2.325 381 Q HA -0.123 4.217 4.340 -0.000 0.000 0.211 381 Q C 0.789 177.015 176.000 0.376 0.000 0.988 381 Q CA 0.938 56.963 55.803 0.370 0.000 0.887 381 Q CB -0.113 28.920 28.738 0.493 0.000 0.915 381 Q HN 0.287 nan 8.270 nan 0.000 0.440 382 N N 0.589 119.463 118.700 0.290 0.000 2.321 382 N HA 0.056 4.796 4.740 -0.000 0.000 0.242 382 N C -0.681 174.834 175.510 0.010 0.000 1.141 382 N CA -0.029 53.171 53.050 0.249 0.000 0.864 382 N CB 0.642 39.367 38.487 0.397 0.000 1.100 382 N HN 0.164 nan 8.380 nan 0.000 0.510 383 N N 0.231 118.929 118.700 -0.003 0.000 2.747 383 N HA -0.192 4.548 4.740 -0.000 0.000 0.249 383 N C -0.973 174.347 175.510 -0.316 0.000 1.107 383 N CA 0.884 53.825 53.050 -0.182 0.000 0.707 383 N CB -1.786 36.467 38.487 -0.389 0.000 1.054 383 N HN 0.280 nan 8.380 nan 0.000 0.555 384 F N 0.236 120.124 119.950 -0.102 0.000 2.399 384 F HA 0.377 4.904 4.527 -0.000 0.000 0.334 384 F C 1.795 177.532 175.800 -0.105 0.000 1.097 384 F CA -0.670 57.271 58.000 -0.099 0.000 1.076 384 F CB 0.955 39.885 39.000 -0.115 0.000 1.162 384 F HN -0.202 nan 8.300 nan 0.000 0.495 385 N N 1.004 119.767 118.700 0.105 0.000 2.414 385 N HA 0.273 5.013 4.740 -0.000 0.000 0.189 385 N C -0.103 175.350 175.510 -0.095 0.000 1.039 385 N CA 0.634 53.659 53.050 -0.043 0.000 0.889 385 N CB 0.209 38.728 38.487 0.054 0.000 1.085 385 N HN 0.611 nan 8.380 nan 0.000 0.442 386 A N -0.250 122.627 122.820 0.095 0.000 2.387 386 A HA 0.751 5.071 4.320 -0.000 0.000 0.298 386 A C -1.151 176.637 177.584 0.340 0.000 1.165 386 A CA -0.523 51.661 52.037 0.245 0.000 0.814 386 A CB 1.770 21.001 19.000 0.386 0.000 1.357 386 A HN -0.010 nan 8.150 nan 0.000 0.443 387 V N -0.147 120.061 119.914 0.489 0.000 3.048 387 V HA 0.657 4.777 4.120 -0.000 0.000 0.303 387 V C -1.018 175.204 176.094 0.214 0.000 1.214 387 V CA -0.735 61.812 62.300 0.412 0.000 0.984 387 V CB 1.976 33.908 31.823 0.183 0.000 1.054 387 V HN 1.062 nan 8.190 nan 0.000 0.430 388 R N 4.008 124.448 120.500 -0.099 0.000 2.312 388 R HA 0.484 4.824 4.340 -0.000 0.000 0.311 388 R C -0.397 175.794 176.300 -0.182 0.000 1.004 388 R CA -0.426 55.467 56.100 -0.346 0.000 0.902 388 R CB 1.065 30.991 30.300 -0.624 0.000 1.073 388 R HN 0.889 nan 8.270 nan 0.000 0.457 389 C N 3.924 123.151 119.300 -0.122 0.000 3.305 389 C HA 0.090 4.550 4.460 -0.000 0.000 0.566 389 C C 0.469 175.251 174.990 -0.347 0.000 1.178 389 C CA -0.469 58.453 59.018 -0.161 0.000 1.317 389 C CB -2.202 25.546 27.740 0.015 0.000 1.634 389 C HN 0.693 nan 8.230 nan 0.000 0.643 390 S N 0.739 116.147 115.700 -0.487 0.000 2.498 390 S HA 0.107 4.577 4.470 -0.000 0.000 0.281 390 S C -0.023 173.731 174.600 -1.410 0.000 1.265 390 S CA 0.274 57.990 58.200 -0.807 0.000 1.071 390 S CB 0.231 62.882 63.200 -0.914 0.000 0.894 390 S HN 0.679 nan 8.310 nan 0.000 0.491 391 H N 3.203 121.471 119.070 -1.337 0.000 2.624 391 H HA 0.330 4.886 4.556 -0.000 0.000 0.233 391 H C -1.109 173.996 175.328 -0.373 0.000 1.376 391 H CA -0.441 55.288 56.048 -0.531 0.000 1.137 391 H CB -0.229 29.453 29.762 -0.133 0.000 1.867 391 H HN 0.864 nan 8.280 nan 0.000 0.547 392 Y N -2.739 117.645 120.300 0.140 0.000 2.702 392 Y HA 0.448 4.998 4.550 -0.000 0.000 0.336 392 Y C -3.202 172.792 175.900 0.156 0.000 1.203 392 Y CA -3.348 54.844 58.100 0.152 0.000 1.072 392 Y CB 0.054 38.604 38.460 0.150 0.000 1.327 392 Y HN -0.139 nan 8.280 nan 0.000 0.456 393 P HA 0.128 nan 4.420 nan 0.000 0.269 393 P C -0.682 176.897 177.300 0.464 0.000 1.209 393 P CA 0.285 63.637 63.100 0.421 0.000 0.776 393 P CB 0.930 32.821 31.700 0.317 0.000 0.876 394 N N 0.120 119.097 118.700 0.461 0.000 2.620 394 N HA 0.096 4.836 4.740 -0.000 0.000 0.307 394 N C 0.089 175.796 175.510 0.327 0.000 1.316 394 N CA -0.610 52.597 53.050 0.261 0.000 0.931 394 N CB 0.267 38.673 38.487 -0.136 0.000 1.116 394 N HN 0.592 nan 8.380 nan 0.000 0.573 395 H N 1.972 121.118 119.070 0.127 0.000 2.742 395 H HA 0.096 4.652 4.556 -0.000 0.000 0.302 395 H C -1.770 173.717 175.328 0.264 0.000 1.069 395 H CA -1.555 54.586 56.048 0.155 0.000 1.446 395 H CB 1.096 30.905 29.762 0.080 0.000 1.462 395 H HN 0.372 nan 8.280 nan 0.000 0.499 396 P HA -0.325 nan 4.420 nan 0.000 0.229 396 P C 1.835 179.319 177.300 0.308 0.000 1.147 396 P CA 0.933 64.133 63.100 0.167 0.000 0.949 396 P CB 0.178 31.837 31.700 -0.069 0.000 0.786 397 L N -1.173 120.224 121.223 0.290 0.000 2.089 397 L HA -0.165 4.175 4.340 -0.000 0.000 0.213 397 L C 2.434 179.522 176.870 0.364 0.000 1.079 397 L CA 1.531 56.608 54.840 0.396 0.000 0.758 397 L CB -1.766 40.602 42.059 0.516 0.000 0.891 397 L HN 0.162 nan 8.230 nan 0.000 0.433 398 W N -0.492 120.873 121.300 0.108 0.000 2.289 398 W HA -0.412 4.248 4.660 -0.000 0.000 0.331 398 W C 2.415 178.845 176.519 -0.149 0.000 1.283 398 W CA 2.185 59.456 57.345 -0.124 0.000 1.252 398 W CB -0.582 28.630 29.460 -0.414 0.000 1.153 398 W HN 0.245 nan 8.180 nan 0.000 0.467 399 Y N 0.773 121.055 120.300 -0.030 0.000 2.102 399 Y HA -0.322 4.228 4.550 -0.000 0.000 0.280 399 Y C 2.854 178.622 175.900 -0.221 0.000 1.178 399 Y CA 2.500 60.374 58.100 -0.376 0.000 1.146 399 Y CB -1.502 36.415 38.460 -0.905 0.000 0.968 399 Y HN -0.115 nan 8.280 nan 0.000 0.504 400 T N 0.750 115.389 114.554 0.142 0.000 2.652 400 T HA -0.186 4.164 4.350 -0.000 0.000 0.267 400 T C 2.107 176.882 174.700 0.125 0.000 1.039 400 T CA 1.663 63.889 62.100 0.210 0.000 1.153 400 T CB -0.701 68.311 68.868 0.239 0.000 0.863 400 T HN 0.217 nan 8.240 nan 0.000 0.428 401 L N 0.795 122.077 121.223 0.097 0.000 1.990 401 L HA -0.192 4.148 4.340 -0.000 0.000 0.213 401 L C 2.930 179.849 176.870 0.081 0.000 1.072 401 L CA 1.389 56.309 54.840 0.134 0.000 0.755 401 L CB -1.089 41.057 42.059 0.145 0.000 0.889 401 L HN 0.431 nan 8.230 nan 0.000 0.432 402 C N -0.711 118.481 119.300 -0.181 0.000 2.432 402 C HA -0.105 4.355 4.460 -0.000 0.000 0.280 402 C C 2.313 177.386 174.990 0.138 0.000 1.353 402 C CA -0.095 58.836 59.018 -0.146 0.000 1.766 402 C CB -0.978 26.535 27.740 -0.380 0.000 1.924 402 C HN 0.525 nan 8.230 nan 0.000 0.509 403 D N 1.141 121.634 120.400 0.156 0.000 2.097 403 D HA -0.086 4.554 4.640 -0.000 0.000 0.197 403 D C 2.358 178.899 176.300 0.401 0.000 0.984 403 D CA 1.183 55.354 54.000 0.285 0.000 0.826 403 D CB -0.293 40.613 40.800 0.176 0.000 0.973 403 D HN 0.610 nan 8.370 nan 0.000 0.460 404 R N -1.088 119.514 120.500 0.170 0.000 2.254 404 R HA 0.064 4.404 4.340 -0.000 0.000 0.195 404 R C 1.745 177.981 176.300 -0.107 0.000 0.957 404 R CA 0.259 56.374 56.100 0.026 0.000 1.024 404 R CB -0.074 30.159 30.300 -0.111 0.000 0.952 404 R HN 0.233 nan 8.270 nan 0.000 0.484 405 Y N 0.908 121.248 120.300 0.066 0.000 2.347 405 Y HA 0.214 4.764 4.550 -0.000 0.000 0.294 405 Y C 1.239 177.106 175.900 -0.055 0.000 1.117 405 Y CA 1.042 59.154 58.100 0.020 0.000 1.184 405 Y CB 0.487 38.934 38.460 -0.021 0.000 1.047 405 Y HN 0.257 nan 8.280 nan 0.000 0.546 406 G N 0.804 109.654 108.800 0.082 0.000 2.859 406 G HA2 -0.072 3.888 3.960 -0.000 0.000 0.251 406 G HA3 -0.072 3.888 3.960 -0.000 0.000 0.251 406 G C -1.208 173.568 174.900 -0.205 0.000 0.978 406 G CA -0.511 44.514 45.100 -0.125 0.000 1.270 406 G HN 0.153 nan 8.290 nan 0.000 0.601 407 L N 1.105 122.277 121.223 -0.085 0.000 2.455 407 L HA 0.547 4.886 4.340 -0.000 0.000 0.264 407 L C -0.308 176.631 176.870 0.114 0.000 0.968 407 L CA -1.468 53.283 54.840 -0.148 0.000 0.827 407 L CB 1.642 43.613 42.059 -0.147 0.000 1.317 407 L HN 0.234 nan 8.230 nan 0.000 0.407 408 Y N 1.601 122.015 120.300 0.189 0.000 2.336 408 Y HA 0.503 5.053 4.550 -0.000 0.000 0.331 408 Y C 0.404 176.406 175.900 0.170 0.000 1.211 408 Y CA -0.788 57.448 58.100 0.227 0.000 1.346 408 Y CB 0.978 39.565 38.460 0.212 0.000 1.271 408 Y HN 0.165 nan 8.280 nan 0.000 0.538 409 V N 2.164 122.254 119.914 0.292 0.000 2.962 409 V HA 0.506 4.626 4.120 -0.000 0.000 0.313 409 V C -0.973 175.184 176.094 0.106 0.000 1.099 409 V CA -1.067 61.345 62.300 0.186 0.000 0.971 409 V CB 2.558 34.462 31.823 0.135 0.000 1.028 409 V HN 0.434 nan 8.190 nan 0.000 0.430 410 V N 2.509 122.460 119.914 0.062 0.000 2.326 410 V HA 0.367 4.487 4.120 -0.000 0.000 0.281 410 V C -0.556 175.572 176.094 0.055 0.000 1.015 410 V CA -0.488 61.807 62.300 -0.009 0.000 0.823 410 V CB 1.490 33.229 31.823 -0.141 0.000 1.009 410 V HN 0.874 nan 8.190 nan 0.000 0.436 411 D N 4.208 124.667 120.400 0.099 0.000 2.308 411 D HA 0.281 4.921 4.640 -0.000 0.000 0.251 411 D C -0.232 176.229 176.300 0.269 0.000 1.127 411 D CA 0.103 54.252 54.000 0.248 0.000 0.876 411 D CB 1.325 42.304 40.800 0.298 0.000 1.176 411 D HN 0.697 nan 8.370 nan 0.000 0.446 412 E N 1.983 122.324 120.200 0.235 0.000 2.256 412 E HA 0.581 4.931 4.350 -0.000 0.000 0.268 412 E C -1.226 175.500 176.600 0.209 0.000 0.877 412 E CA -1.053 55.468 56.400 0.202 0.000 0.757 412 E CB 1.491 31.268 29.700 0.129 0.000 1.183 412 E HN 0.440 nan 8.360 nan 0.000 0.418 413 A N 3.674 126.611 122.820 0.195 0.000 2.462 413 A HA 0.071 4.391 4.320 -0.000 0.000 0.243 413 A C 0.445 178.142 177.584 0.188 0.000 1.076 413 A CA -0.258 51.879 52.037 0.168 0.000 0.773 413 A CB 0.139 19.206 19.000 0.112 0.000 1.010 413 A HN 0.700 nan 8.150 nan 0.000 0.493 414 N N 0.956 119.780 118.700 0.207 0.000 3.117 414 N HA 0.154 4.894 4.740 -0.000 0.000 0.323 414 N C -0.981 174.648 175.510 0.197 0.000 1.245 414 N CA 0.371 53.572 53.050 0.252 0.000 1.191 414 N CB -0.990 37.640 38.487 0.238 0.000 1.451 414 N HN 0.499 nan 8.380 nan 0.000 0.555 415 I N 0.304 120.977 120.570 0.172 0.000 2.468 415 I HA 0.289 4.459 4.170 -0.000 0.000 0.284 415 I C -0.381 175.820 176.117 0.139 0.000 1.038 415 I CA -0.623 60.761 61.300 0.141 0.000 1.083 415 I CB 1.815 39.867 38.000 0.088 0.000 1.223 415 I HN 0.103 nan 8.210 nan 0.000 0.443 416 E N 4.242 124.527 120.200 0.142 0.000 2.274 416 E HA 0.438 4.788 4.350 -0.000 0.000 0.269 416 E C -0.612 176.055 176.600 0.111 0.000 0.891 416 E CA -0.514 55.947 56.400 0.102 0.000 0.784 416 E CB 1.662 31.413 29.700 0.086 0.000 1.225 416 E HN 0.621 nan 8.360 nan 0.000 0.412 417 T N 0.595 115.200 114.554 0.085 0.000 3.448 417 T HA 0.171 4.521 4.350 -0.000 0.000 0.271 417 T C 0.876 175.619 174.700 0.072 0.000 1.002 417 T CA -0.331 61.849 62.100 0.134 0.000 0.995 417 T CB -0.295 68.648 68.868 0.124 0.000 1.153 417 T HN 0.656 nan 8.240 nan 0.000 0.510 418 H N 1.474 120.464 119.070 -0.133 0.000 2.325 418 H HA -0.118 4.438 4.556 -0.000 0.000 0.293 418 H C 2.445 177.617 175.328 -0.260 0.000 1.106 418 H CA 1.565 57.492 56.048 -0.203 0.000 1.247 418 H CB -0.273 29.339 29.762 -0.249 0.000 1.359 418 H HN 0.589 nan 8.280 nan 0.000 0.488 419 G N 0.469 109.042 108.800 -0.379 0.000 2.527 419 G HA2 -0.154 3.806 3.960 -0.000 0.000 0.219 419 G HA3 -0.154 3.806 3.960 -0.000 0.000 0.219 419 G C 0.631 175.602 174.900 0.118 0.000 1.117 419 G CA 0.292 45.134 45.100 -0.430 0.000 0.759 419 G HN 0.186 nan 8.290 nan 0.000 0.556 420 M N -0.234 119.506 119.600 0.233 0.000 2.114 420 M HA 0.399 4.879 4.480 -0.000 0.000 0.293 420 M C -0.469 175.872 176.300 0.067 0.000 1.201 420 M CA -0.225 55.188 55.300 0.188 0.000 1.107 420 M CB 1.362 34.026 32.600 0.107 0.000 1.405 420 M HN -0.206 nan 8.290 nan 0.000 0.486 421 V N 2.356 122.289 119.914 0.032 0.000 2.509 421 V HA 0.312 4.432 4.120 -0.000 0.000 0.289 421 V C -2.133 173.956 176.094 -0.009 0.000 1.026 421 V CA -1.224 61.078 62.300 0.004 0.000 0.872 421 V CB 1.850 33.671 31.823 -0.003 0.000 1.017 421 V HN 0.705 nan 8.190 nan 0.000 0.436 422 P HA 0.325 nan 4.420 nan 0.000 0.286 422 P C 1.106 178.408 177.300 0.002 0.000 1.293 422 P CA -0.564 62.532 63.100 -0.006 0.000 0.770 422 P CB 0.754 32.451 31.700 -0.004 0.000 1.206 423 M N -0.276 119.328 119.600 0.006 0.000 2.358 423 M HA -0.171 4.309 4.480 -0.000 0.000 0.264 423 M C 1.722 178.039 176.300 0.028 0.000 1.064 423 M CA 1.591 56.900 55.300 0.014 0.000 1.093 423 M CB -0.486 32.106 32.600 -0.013 0.000 1.401 423 M HN 0.352 nan 8.290 nan 0.000 0.440 424 N N -0.124 118.592 118.700 0.027 0.000 2.058 424 N HA -0.239 4.501 4.740 -0.000 0.000 0.191 424 N C 1.528 177.025 175.510 -0.021 0.000 1.037 424 N CA 1.304 54.370 53.050 0.027 0.000 0.848 424 N CB -0.016 38.479 38.487 0.014 0.000 1.021 424 N HN 0.207 nan 8.380 nan 0.000 0.422 425 R N 0.326 120.802 120.500 -0.041 0.000 2.506 425 R HA -0.280 4.060 4.340 -0.000 0.000 0.216 425 R C 1.832 178.032 176.300 -0.168 0.000 0.900 425 R CA 2.116 58.163 56.100 -0.088 0.000 0.778 425 R CB -0.580 29.666 30.300 -0.091 0.000 0.885 425 R HN 0.297 nan 8.270 nan 0.000 0.408 426 L N -1.962 119.117 121.223 -0.240 0.000 2.130 426 L HA 0.011 4.351 4.340 -0.000 0.000 0.200 426 L C 2.489 179.260 176.870 -0.165 0.000 1.075 426 L CA 1.227 55.816 54.840 -0.418 0.000 0.768 426 L CB -0.691 40.847 42.059 -0.868 0.000 0.933 426 L HN 0.408 nan 8.230 nan 0.000 0.451 427 T N -3.761 110.727 114.554 -0.111 0.000 2.996 427 T HA -0.203 4.147 4.350 -0.000 0.000 0.271 427 T C 1.149 175.802 174.700 -0.078 0.000 1.126 427 T CA 1.502 63.537 62.100 -0.109 0.000 1.103 427 T CB -0.323 68.521 68.868 -0.041 0.000 0.870 427 T HN 0.124 nan 8.240 nan 0.000 0.528 428 D N 0.728 121.104 120.400 -0.041 0.000 2.431 428 D HA 0.174 4.814 4.640 -0.000 0.000 0.213 428 D C -0.537 175.762 176.300 -0.001 0.000 1.130 428 D CA -0.269 53.712 54.000 -0.031 0.000 0.834 428 D CB 0.096 40.879 40.800 -0.029 0.000 0.985 428 D HN 0.349 nan 8.370 nan 0.000 0.504 429 D N -0.162 120.259 120.400 0.036 0.000 2.344 429 D HA 0.167 4.807 4.640 -0.000 0.000 0.239 429 D C -1.766 174.602 176.300 0.113 0.000 1.064 429 D CA -2.150 51.909 54.000 0.099 0.000 0.829 429 D CB 2.440 43.359 40.800 0.198 0.000 1.129 429 D HN -0.128 nan 8.370 nan 0.000 0.506 430 P HA -0.119 nan 4.420 nan 0.000 0.216 430 P C 1.226 178.513 177.300 -0.023 0.000 1.150 430 P CA 0.920 64.024 63.100 0.007 0.000 0.843 430 P CB 0.383 32.077 31.700 -0.009 0.000 0.787 431 R N -1.828 118.652 120.500 -0.035 0.000 2.159 431 R HA -0.139 4.201 4.340 -0.000 0.000 0.237 431 R C 1.936 178.007 176.300 -0.382 0.000 1.131 431 R CA 1.461 57.445 56.100 -0.195 0.000 0.982 431 R CB -0.670 29.504 30.300 -0.211 0.000 0.868 431 R HN 0.316 nan 8.270 nan 0.000 0.453 432 W N -0.582 120.663 121.300 -0.091 0.000 2.640 432 W HA 0.160 4.820 4.660 -0.000 0.000 0.268 432 W C 1.651 178.110 176.519 -0.099 0.000 1.263 432 W CA -0.189 57.100 57.345 -0.094 0.000 1.344 432 W CB -0.277 29.125 29.460 -0.096 0.000 1.093 432 W HN 0.029 nan 8.180 nan 0.000 0.603 433 L N 1.175 122.419 121.223 0.034 0.000 1.991 433 L HA -0.274 4.066 4.340 -0.000 0.000 0.221 433 L C -0.371 176.457 176.870 -0.071 0.000 1.079 433 L CA 2.163 56.981 54.840 -0.036 0.000 0.778 433 L CB -1.587 40.441 42.059 -0.052 0.000 0.893 433 L HN -0.139 nan 8.230 nan 0.000 0.437 434 P HA -0.211 nan 4.420 nan 0.000 0.216 434 P C 1.262 178.504 177.300 -0.095 0.000 1.153 434 P CA 2.100 65.135 63.100 -0.108 0.000 0.858 434 P CB -0.164 31.463 31.700 -0.122 0.000 0.789 435 A N -0.647 122.129 122.820 -0.073 0.000 1.898 435 A HA -0.161 4.159 4.320 -0.000 0.000 0.216 435 A C 2.129 179.719 177.584 0.011 0.000 1.181 435 A CA 2.014 54.043 52.037 -0.013 0.000 0.620 435 A CB -1.354 17.672 19.000 0.044 0.000 0.819 435 A HN 0.143 nan 8.150 nan 0.000 0.442 436 M N 0.321 119.928 119.600 0.012 0.000 2.254 436 M HA -0.070 4.410 4.480 -0.000 0.000 0.265 436 M C 2.376 178.615 176.300 -0.103 0.000 1.066 436 M CA 1.490 56.773 55.300 -0.028 0.000 1.123 436 M CB -0.625 31.936 32.600 -0.065 0.000 1.388 436 M HN 0.543 nan 8.290 nan 0.000 0.425 437 S N 1.089 116.704 115.700 -0.142 0.000 2.359 437 S HA -0.212 4.258 4.470 -0.000 0.000 0.223 437 S C 1.824 176.261 174.600 -0.271 0.000 1.039 437 S CA 1.607 59.662 58.200 -0.242 0.000 1.042 437 S CB -0.629 62.416 63.200 -0.258 0.000 0.915 437 S HN 0.517 nan 8.310 nan 0.000 0.439 438 E N 0.824 120.909 120.200 -0.190 0.000 2.171 438 E HA -0.160 4.190 4.350 -0.000 0.000 0.197 438 E C 2.402 178.917 176.600 -0.142 0.000 0.997 438 E CA 1.047 57.347 56.400 -0.167 0.000 0.810 438 E CB -0.132 29.506 29.700 -0.103 0.000 0.738 438 E HN 0.600 nan 8.360 nan 0.000 0.467 439 R N -0.290 120.149 120.500 -0.102 0.000 2.115 439 R HA -0.065 4.275 4.340 -0.000 0.000 0.226 439 R C 2.292 178.546 176.300 -0.077 0.000 1.100 439 R CA 0.732 56.803 56.100 -0.049 0.000 0.980 439 R CB 0.157 30.462 30.300 0.007 0.000 0.875 439 R HN 0.022 nan 8.270 nan 0.000 0.445 440 V N -0.044 119.775 119.914 -0.159 0.000 2.426 440 V HA -0.160 3.960 4.120 -0.000 0.000 0.242 440 V C 2.510 178.424 176.094 -0.301 0.000 1.036 440 V CA 2.008 64.195 62.300 -0.188 0.000 1.044 440 V CB -0.424 31.278 31.823 -0.201 0.000 0.688 440 V HN 0.482 nan 8.190 nan 0.000 0.462 441 T N -0.542 113.711 114.554 -0.502 0.000 2.746 441 T HA -0.242 4.108 4.350 -0.000 0.000 0.267 441 T C 1.980 176.514 174.700 -0.277 0.000 1.039 441 T CA 1.504 63.227 62.100 -0.628 0.000 1.142 441 T CB -0.387 67.906 68.868 -0.958 0.000 0.866 441 T HN 0.378 nan 8.240 nan 0.000 0.444 442 R N 0.033 120.404 120.500 -0.215 0.000 2.115 442 R HA 0.164 4.504 4.340 -0.000 0.000 0.230 442 R C 2.666 178.894 176.300 -0.121 0.000 1.111 442 R CA 1.414 57.430 56.100 -0.141 0.000 0.976 442 R CB -0.424 29.807 30.300 -0.115 0.000 0.870 442 R HN 0.493 nan 8.270 nan 0.000 0.445 443 M N 0.617 120.151 119.600 -0.110 0.000 2.064 443 M HA -0.163 4.317 4.480 -0.000 0.000 0.260 443 M C 1.975 178.197 176.300 -0.130 0.000 1.073 443 M CA 1.783 57.046 55.300 -0.062 0.000 1.124 443 M CB -0.073 32.537 32.600 0.016 0.000 1.326 443 M HN -0.011 nan 8.290 nan 0.000 0.410 444 V N 1.374 121.107 119.914 -0.302 0.000 2.317 444 V HA -0.340 3.780 4.120 -0.000 0.000 0.251 444 V C 2.283 178.224 176.094 -0.255 0.000 1.065 444 V CA 2.170 64.136 62.300 -0.555 0.000 1.049 444 V CB -1.090 30.387 31.823 -0.576 0.000 0.651 444 V HN 0.611 nan 8.190 nan 0.000 0.450 445 Q N -0.909 118.798 119.800 -0.154 0.000 2.437 445 Q HA -0.164 4.176 4.340 -0.000 0.000 0.210 445 Q C 2.337 178.249 176.000 -0.147 0.000 0.972 445 Q CA 1.040 56.765 55.803 -0.130 0.000 0.903 445 Q CB -0.063 28.627 28.738 -0.079 0.000 0.967 445 Q HN 0.651 nan 8.270 nan 0.000 0.486 446 R N 0.125 120.542 120.500 -0.138 0.000 2.225 446 R HA -0.015 4.325 4.340 -0.000 0.000 0.194 446 R C 0.353 176.585 176.300 -0.114 0.000 0.949 446 R CA 0.668 56.666 56.100 -0.170 0.000 1.088 446 R CB 0.676 30.865 30.300 -0.184 0.000 1.106 446 R HN 0.078 nan 8.270 nan 0.000 0.566 447 D N 1.165 121.552 120.400 -0.022 0.000 2.363 447 D HA 0.021 4.661 4.640 -0.000 0.000 0.214 447 D C 1.194 177.623 176.300 0.215 0.000 1.093 447 D CA 0.028 54.079 54.000 0.086 0.000 0.837 447 D CB 0.422 41.139 40.800 -0.139 0.000 0.948 447 D HN 0.363 nan 8.370 nan 0.000 0.507 448 R N 0.891 121.515 120.500 0.207 0.000 2.200 448 R HA -0.039 4.301 4.340 -0.000 0.000 0.234 448 R C 1.014 177.319 176.300 0.009 0.000 1.127 448 R CA 1.011 57.259 56.100 0.246 0.000 0.989 448 R CB -0.452 29.891 30.300 0.071 0.000 0.869 448 R HN -0.034 nan 8.270 nan 0.000 0.459 449 N N 0.152 118.773 118.700 -0.131 0.000 2.280 449 N HA -0.015 4.725 4.740 -0.000 0.000 0.192 449 N C -0.429 174.944 175.510 -0.228 0.000 1.109 449 N CA 0.202 53.126 53.050 -0.210 0.000 0.855 449 N CB 0.068 38.380 38.487 -0.292 0.000 0.974 449 N HN 0.330 nan 8.380 nan 0.000 0.482 450 H N 1.838 120.818 119.070 -0.150 0.000 2.878 450 H HA 0.076 4.632 4.556 -0.000 0.000 0.290 450 H C -1.183 173.981 175.328 -0.274 0.000 1.065 450 H CA -1.071 54.879 56.048 -0.164 0.000 1.477 450 H CB 1.286 30.986 29.762 -0.104 0.000 1.484 450 H HN 0.036 nan 8.280 nan 0.000 0.504 451 P HA -0.180 nan 4.420 nan 0.000 0.220 451 P C 1.395 178.221 177.300 -0.790 0.000 1.144 451 P CA 1.214 63.947 63.100 -0.613 0.000 0.800 451 P CB 0.275 31.394 31.700 -0.968 0.000 0.772 452 S N -1.306 114.101 115.700 -0.489 0.000 2.395 452 S HA -0.005 4.465 4.470 -0.000 0.000 0.225 452 S C 1.074 175.617 174.600 -0.096 0.000 1.027 452 S CA 0.109 58.161 58.200 -0.246 0.000 0.965 452 S CB -1.416 61.816 63.200 0.053 0.000 0.812 452 S HN -0.073 nan 8.310 nan 0.000 0.482 453 V N 3.989 123.829 119.914 -0.122 0.000 2.540 453 V HA 0.121 4.241 4.120 -0.000 0.000 0.297 453 V C 1.185 177.105 176.094 -0.290 0.000 1.024 453 V CA 0.548 62.726 62.300 -0.202 0.000 1.105 453 V CB 0.281 31.881 31.823 -0.372 0.000 0.938 453 V HN 0.669 nan 8.190 nan 0.000 0.482 454 I N 2.380 122.814 120.570 -0.227 0.000 4.327 454 I HA 0.524 4.694 4.170 -0.000 0.000 0.331 454 I C 0.226 176.203 176.117 -0.235 0.000 1.348 454 I CA 0.382 61.556 61.300 -0.210 0.000 1.152 454 I CB 0.570 38.499 38.000 -0.118 0.000 1.151 454 I HN 0.379 nan 8.210 nan 0.000 0.410 455 I N 0.576 120.976 120.570 -0.283 0.000 2.722 455 I HA 0.324 4.494 4.170 -0.000 0.000 0.292 455 I C -1.599 174.402 176.117 -0.192 0.000 1.267 455 I CA -0.412 60.775 61.300 -0.188 0.000 1.036 455 I CB 1.944 39.928 38.000 -0.027 0.000 1.281 455 I HN 0.044 nan 8.210 nan 0.000 0.423 456 W N 3.623 124.969 121.300 0.077 0.000 2.436 456 W HA 0.658 5.318 4.660 -0.000 0.000 0.347 456 W C 0.440 177.020 176.519 0.102 0.000 1.136 456 W CA -0.622 56.774 57.345 0.086 0.000 1.286 456 W CB 1.490 31.001 29.460 0.086 0.000 1.253 456 W HN 0.344 nan 8.180 nan 0.000 0.617 457 S N 1.735 117.652 115.700 0.362 0.000 2.538 457 S HA 0.366 4.836 4.470 -0.000 0.000 0.288 457 S C 0.062 174.815 174.600 0.256 0.000 1.108 457 S CA -0.735 57.626 58.200 0.268 0.000 0.971 457 S CB 0.774 64.079 63.200 0.175 0.000 1.041 457 S HN 0.571 nan 8.310 nan 0.000 0.483 458 L N 3.981 125.355 121.223 0.251 0.000 2.675 458 L HA 0.309 4.649 4.340 -0.000 0.000 0.238 458 L C 1.433 178.385 176.870 0.137 0.000 1.155 458 L CA 0.564 55.494 54.840 0.150 0.000 0.881 458 L CB -1.619 40.460 42.059 0.034 0.000 1.008 458 L HN 1.028 nan 8.230 nan 0.000 0.443 459 G N 0.163 109.097 108.800 0.224 0.000 2.352 459 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.324 459 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.324 459 G C -1.403 173.629 174.900 0.220 0.000 1.249 459 G CA -0.620 44.599 45.100 0.199 0.000 1.053 459 G HN 0.229 nan 8.290 nan 0.000 0.492 460 N N 0.342 119.100 118.700 0.097 0.000 2.329 460 N HA 0.501 5.241 4.740 -0.000 0.000 0.282 460 N C -0.283 175.165 175.510 -0.103 0.000 1.198 460 N CA 0.010 52.977 53.050 -0.137 0.000 0.790 460 N CB 1.472 39.590 38.487 -0.615 0.000 1.579 460 N HN 0.913 nan 8.380 nan 0.000 0.475 461 E N 0.336 120.383 120.200 -0.254 0.000 2.023 461 E HA -0.207 4.143 4.350 -0.000 0.000 0.164 461 E C -0.826 175.668 176.600 -0.177 0.000 1.456 461 E CA 0.544 56.727 56.400 -0.362 0.000 0.617 461 E CB -1.458 27.744 29.700 -0.831 0.000 1.042 461 E HN 0.321 nan 8.360 nan 0.000 0.301 462 S N 0.381 116.114 115.700 0.055 0.000 2.902 462 S HA 0.400 4.870 4.470 -0.000 0.000 0.250 462 S C 0.836 175.561 174.600 0.209 0.000 1.046 462 S CA -0.179 58.117 58.200 0.161 0.000 1.069 462 S CB 1.261 64.628 63.200 0.279 0.000 0.967 462 S HN 0.868 nan 8.310 nan 0.000 0.530 463 G N 2.087 110.941 108.800 0.090 0.000 2.578 463 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.284 463 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.284 463 G C -0.412 174.628 174.900 0.233 0.000 1.283 463 G CA 0.203 45.363 45.100 0.099 0.000 0.944 463 G HN 0.656 nan 8.290 nan 0.000 0.558 464 H N 0.467 119.603 119.070 0.110 0.000 2.924 464 H HA 0.579 5.135 4.556 -0.000 0.000 0.333 464 H C 0.126 175.569 175.328 0.192 0.000 0.979 464 H CA 0.108 56.243 56.048 0.144 0.000 1.326 464 H CB 0.908 30.723 29.762 0.089 0.000 1.600 464 H HN 1.190 nan 8.280 nan 0.000 0.520 465 G N 1.450 110.237 108.800 -0.023 0.000 2.680 465 G HA2 0.463 4.423 3.960 -0.000 0.000 0.290 465 G HA3 0.463 4.423 3.960 -0.000 0.000 0.290 465 G C 0.543 175.325 174.900 -0.197 0.000 1.355 465 G CA -0.178 44.822 45.100 -0.167 0.000 0.903 465 G HN 0.664 nan 8.290 nan 0.000 0.474 466 A N 0.547 123.275 122.820 -0.153 0.000 1.958 466 A HA -0.163 4.157 4.320 -0.000 0.000 0.221 466 A C 2.133 179.683 177.584 -0.057 0.000 1.178 466 A CA 2.285 54.273 52.037 -0.081 0.000 0.642 466 A CB -0.553 18.420 19.000 -0.045 0.000 0.816 466 A HN 0.578 nan 8.150 nan 0.000 0.453 467 N N -0.304 118.333 118.700 -0.105 0.000 2.272 467 N HA -0.150 4.590 4.740 -0.000 0.000 0.185 467 N C 1.280 176.687 175.510 -0.173 0.000 1.014 467 N CA 1.749 54.713 53.050 -0.142 0.000 0.870 467 N CB -0.759 37.623 38.487 -0.176 0.000 0.975 467 N HN 0.787 nan 8.380 nan 0.000 0.433 468 H N 0.305 119.325 119.070 -0.083 0.000 2.389 468 H HA 0.002 4.558 4.556 -0.000 0.000 0.299 468 H C 1.241 176.606 175.328 0.062 0.000 1.081 468 H CA 1.266 57.270 56.048 -0.073 0.000 1.345 468 H CB 0.100 29.790 29.762 -0.120 0.000 1.393 468 H HN 0.159 nan 8.280 nan 0.000 0.520 469 D N 0.359 120.871 120.400 0.185 0.000 2.097 469 D HA -0.122 4.518 4.640 -0.000 0.000 0.195 469 D C 2.304 178.732 176.300 0.213 0.000 0.989 469 D CA 1.211 55.344 54.000 0.222 0.000 0.827 469 D CB -0.515 40.388 40.800 0.173 0.000 0.966 469 D HN 0.406 nan 8.370 nan 0.000 0.456 470 A N 1.152 124.044 122.820 0.120 0.000 1.841 470 A HA -0.167 4.153 4.320 -0.000 0.000 0.216 470 A C 2.418 180.082 177.584 0.133 0.000 1.199 470 A CA 1.376 53.474 52.037 0.101 0.000 0.621 470 A CB -1.050 17.972 19.000 0.037 0.000 0.835 470 A HN 0.246 nan 8.150 nan 0.000 0.445 471 L N -1.856 119.422 121.223 0.092 0.000 2.127 471 L HA -0.217 4.123 4.340 -0.000 0.000 0.211 471 L C 2.623 179.615 176.870 0.202 0.000 1.089 471 L CA 1.936 56.840 54.840 0.107 0.000 0.757 471 L CB -0.864 41.186 42.059 -0.015 0.000 0.899 471 L HN 0.643 nan 8.230 nan 0.000 0.434 472 Y N 1.090 121.459 120.300 0.115 0.000 2.163 472 Y HA -0.224 4.326 4.550 -0.000 0.000 0.288 472 Y C 2.843 178.812 175.900 0.116 0.000 1.136 472 Y CA 1.352 59.526 58.100 0.124 0.000 1.147 472 Y CB -0.186 38.352 38.460 0.130 0.000 0.987 472 Y HN -0.079 nan 8.280 nan 0.000 0.509 473 R N 0.316 120.855 120.500 0.066 0.000 2.083 473 R HA -0.234 4.106 4.340 -0.000 0.000 0.237 473 R C 1.970 178.233 176.300 -0.062 0.000 1.137 473 R CA 2.019 58.087 56.100 -0.054 0.000 0.951 473 R CB -1.691 28.657 30.300 0.081 0.000 0.851 473 R HN 0.662 nan 8.270 nan 0.000 0.434 474 W N 0.996 122.231 121.300 -0.108 0.000 2.285 474 W HA -0.283 4.377 4.660 -0.000 0.000 0.333 474 W C 1.925 178.342 176.519 -0.170 0.000 1.290 474 W CA 2.840 60.113 57.345 -0.120 0.000 1.234 474 W CB -0.676 28.720 29.460 -0.107 0.000 1.154 474 W HN 0.108 nan 8.180 nan 0.000 0.463 475 I N 0.642 121.195 120.570 -0.028 0.000 2.145 475 I HA -0.447 3.723 4.170 -0.000 0.000 0.244 475 I C 2.494 178.401 176.117 -0.350 0.000 1.075 475 I CA 1.812 62.953 61.300 -0.266 0.000 1.332 475 I CB -1.127 36.799 38.000 -0.125 0.000 1.033 475 I HN 0.054 nan 8.210 nan 0.000 0.410 476 K N 1.103 121.305 120.400 -0.330 0.000 2.034 476 K HA -0.163 4.157 4.320 -0.000 0.000 0.214 476 K C 2.302 178.746 176.600 -0.261 0.000 1.051 476 K CA 1.925 58.036 56.287 -0.293 0.000 0.931 476 K CB -0.711 31.570 32.500 -0.365 0.000 0.715 476 K HN 0.334 nan 8.250 nan 0.000 0.446 477 S N 0.999 116.510 115.700 -0.314 0.000 2.348 477 S HA -0.102 4.368 4.470 -0.000 0.000 0.221 477 S C 2.303 176.681 174.600 -0.371 0.000 1.033 477 S CA 1.453 59.473 58.200 -0.301 0.000 1.010 477 S CB -0.421 62.587 63.200 -0.320 0.000 0.891 477 S HN 0.037 nan 8.310 nan 0.000 0.442 478 V N 1.467 121.009 119.914 -0.620 0.000 2.343 478 V HA -0.078 4.042 4.120 -0.000 0.000 0.247 478 V C 0.995 176.860 176.094 -0.381 0.000 1.051 478 V CA 1.565 63.489 62.300 -0.628 0.000 1.036 478 V CB -0.379 30.775 31.823 -1.115 0.000 0.654 478 V HN 0.397 nan 8.190 nan 0.000 0.451 479 D N -0.686 119.536 120.400 -0.296 0.000 2.613 479 D HA 0.222 4.862 4.640 -0.000 0.000 0.312 479 D C -1.802 174.483 176.300 -0.025 0.000 1.202 479 D CA -1.992 51.947 54.000 -0.102 0.000 0.825 479 D CB 1.061 41.892 40.800 0.051 0.000 1.113 479 D HN 0.181 nan 8.370 nan 0.000 0.502 480 P HA -0.154 nan 4.420 nan 0.000 0.227 480 P C 1.190 178.507 177.300 0.027 0.000 1.145 480 P CA 0.721 63.809 63.100 -0.020 0.000 0.769 480 P CB 0.017 31.699 31.700 -0.029 0.000 0.769 481 S N -1.707 114.021 115.700 0.048 0.000 2.489 481 S HA 0.011 4.481 4.470 -0.000 0.000 0.228 481 S C 0.987 175.615 174.600 0.048 0.000 0.995 481 S CA -0.030 58.202 58.200 0.055 0.000 0.934 481 S CB -0.326 62.901 63.200 0.045 0.000 0.771 481 S HN 0.133 nan 8.310 nan 0.000 0.522 482 R N 1.048 121.596 120.500 0.080 0.000 2.807 482 R HA 0.607 4.947 4.340 -0.000 0.000 0.276 482 R C -3.136 173.227 176.300 0.104 0.000 0.979 482 R CA -2.410 53.708 56.100 0.029 0.000 0.928 482 R CB 1.262 31.483 30.300 -0.131 0.000 1.191 482 R HN 0.143 nan 8.270 nan 0.000 0.471 483 P HA 0.170 nan 4.420 nan 0.000 0.274 483 P C -0.889 176.526 177.300 0.191 0.000 1.246 483 P CA -0.456 62.714 63.100 0.118 0.000 0.795 483 P CB 0.698 32.444 31.700 0.078 0.000 1.006 484 V N 1.618 121.687 119.914 0.258 0.000 2.531 484 V HA 0.365 4.485 4.120 -0.000 0.000 0.301 484 V C -0.056 176.209 176.094 0.286 0.000 1.034 484 V CA -0.399 62.107 62.300 0.343 0.000 0.865 484 V CB 1.279 33.384 31.823 0.469 0.000 0.995 484 V HN 0.618 nan 8.190 nan 0.000 0.424 485 Q N 4.215 124.154 119.800 0.232 0.000 2.394 485 Q HA 0.818 5.158 4.340 -0.000 0.000 0.273 485 Q C -1.667 174.463 176.000 0.217 0.000 1.089 485 Q CA -0.942 54.956 55.803 0.157 0.000 0.812 485 Q CB 2.900 31.678 28.738 0.068 0.000 1.353 485 Q HN 0.652 nan 8.270 nan 0.000 0.438 486 Y N 0.617 120.904 120.300 -0.022 0.000 2.390 486 Y HA 0.178 4.728 4.550 -0.000 0.000 0.324 486 Y C -0.265 175.556 175.900 -0.132 0.000 1.151 486 Y CA -0.688 57.372 58.100 -0.067 0.000 1.053 486 Y CB 2.157 40.583 38.460 -0.057 0.000 1.277 486 Y HN 0.962 nan 8.280 nan 0.000 0.432 487 E N 3.695 123.434 120.200 -0.768 0.000 2.102 487 E HA 0.115 4.465 4.350 -0.000 0.000 0.190 487 E C 0.770 176.912 176.600 -0.763 0.000 0.971 487 E CA 0.853 56.878 56.400 -0.626 0.000 0.821 487 E CB 0.046 29.499 29.700 -0.412 0.000 0.777 487 E HN 0.908 nan 8.360 nan 0.000 0.460 488 G N -0.270 107.766 108.800 -1.272 0.000 2.460 488 G HA2 0.138 4.098 3.960 -0.000 0.000 0.230 488 G HA3 0.138 4.098 3.960 -0.000 0.000 0.230 488 G C 0.917 175.594 174.900 -0.371 0.000 1.248 488 G CA 0.581 45.223 45.100 -0.763 0.000 0.863 488 G HN 0.498 nan 8.290 nan 0.000 0.549 489 G N -0.149 108.569 108.800 -0.137 0.000 2.234 489 G HA2 0.184 4.144 3.960 -0.000 0.000 0.260 489 G HA3 0.184 4.144 3.960 -0.000 0.000 0.260 489 G C 1.291 176.161 174.900 -0.050 0.000 0.987 489 G CA 1.150 46.236 45.100 -0.024 0.000 0.625 489 G HN 2.626 nan 8.290 nan 0.000 0.532 490 G N -1.538 107.213 108.800 -0.083 0.000 2.834 490 G HA2 0.514 4.474 3.960 -0.000 0.000 0.217 490 G HA3 0.514 4.474 3.960 -0.000 0.000 0.217 490 G C 1.016 175.957 174.900 0.070 0.000 0.974 490 G CA 1.286 46.409 45.100 0.038 0.000 0.826 490 G HN 2.219 nan 8.290 nan 0.000 0.584 491 A N 0.319 123.063 122.820 -0.126 0.000 3.721 491 A HA -0.199 4.121 4.320 -0.000 0.000 0.270 491 A C 1.246 178.687 177.584 -0.239 0.000 1.036 491 A CA 2.746 54.647 52.037 -0.227 0.000 1.102 491 A CB -1.688 17.144 19.000 -0.280 0.000 1.100 491 A HN 1.947 nan 8.150 nan 0.000 0.887 492 D N -0.888 119.451 120.400 -0.102 0.000 2.636 492 D HA 0.275 4.915 4.640 -0.000 0.000 0.270 492 D C 0.472 176.726 176.300 -0.076 0.000 1.430 492 D CA 0.979 54.931 54.000 -0.079 0.000 0.796 492 D CB -1.167 39.668 40.800 0.059 0.000 1.117 492 D HN 0.858 nan 8.370 nan 0.000 0.480 493 T N -2.201 112.249 114.554 -0.174 0.000 2.667 493 T HA 0.136 4.486 4.350 -0.000 0.000 0.305 493 T C 1.678 176.243 174.700 -0.225 0.000 1.022 493 T CA 0.666 62.604 62.100 -0.269 0.000 0.995 493 T CB 0.783 69.264 68.868 -0.645 0.000 1.026 493 T HN 0.095 nan 8.240 nan 0.000 0.527 494 T N -2.549 111.883 114.554 -0.202 0.000 3.072 494 T HA 0.139 4.489 4.350 -0.000 0.000 0.266 494 T C 1.681 176.174 174.700 -0.345 0.000 1.127 494 T CA 0.449 62.456 62.100 -0.156 0.000 1.107 494 T CB -0.623 68.236 68.868 -0.016 0.000 0.910 494 T HN 0.847 nan 8.240 nan 0.000 0.513 495 A N 0.561 123.193 122.820 -0.313 0.000 2.370 495 A HA 0.465 4.785 4.320 -0.000 0.000 0.238 495 A C 0.926 178.202 177.584 -0.513 0.000 1.289 495 A CA -0.042 51.723 52.037 -0.454 0.000 0.885 495 A CB -0.289 18.728 19.000 0.027 0.000 0.961 495 A HN 0.481 nan 8.150 nan 0.000 0.499 496 T N -1.605 112.685 114.554 -0.439 0.000 2.971 496 T HA 0.372 4.722 4.350 -0.000 0.000 0.304 496 T C -0.383 174.257 174.700 -0.100 0.000 1.038 496 T CA -0.504 61.485 62.100 -0.185 0.000 1.007 496 T CB 1.160 69.976 68.868 -0.088 0.000 1.055 496 T HN 0.110 nan 8.240 nan 0.000 0.451 497 D N 3.011 123.446 120.400 0.057 0.000 2.234 497 D HA 0.182 4.822 4.640 -0.000 0.000 0.205 497 D C 0.610 176.917 176.300 0.011 0.000 0.962 497 D CA 0.922 54.969 54.000 0.079 0.000 0.855 497 D CB 0.284 41.181 40.800 0.162 0.000 0.951 497 D HN 0.545 nan 8.370 nan 0.000 0.500 498 I N 1.034 121.598 120.570 -0.011 0.000 2.460 498 I HA 0.209 4.379 4.170 -0.000 0.000 0.298 498 I C 0.094 176.133 176.117 -0.129 0.000 0.989 498 I CA -0.802 60.464 61.300 -0.057 0.000 1.173 498 I CB 2.468 40.447 38.000 -0.035 0.000 1.338 498 I HN -0.300 nan 8.210 nan 0.000 0.456 499 I N 5.421 125.876 120.570 -0.192 0.000 2.379 499 I HA 0.128 4.298 4.170 -0.000 0.000 0.290 499 I C -0.105 175.815 176.117 -0.327 0.000 1.063 499 I CA -0.246 60.849 61.300 -0.341 0.000 1.351 499 I CB 0.168 37.874 38.000 -0.490 0.000 1.410 499 I HN 0.657 nan 8.210 nan 0.000 0.505 500 C N 5.179 124.291 119.300 -0.314 0.000 3.273 500 C HA 0.482 4.942 4.460 -0.000 0.000 0.227 500 C C -2.316 172.521 174.990 -0.254 0.000 1.409 500 C CA -2.296 56.585 59.018 -0.229 0.000 1.516 500 C CB -0.815 26.840 27.740 -0.141 0.000 1.853 500 C HN 0.415 nan 8.230 nan 0.000 0.472 501 P HA 0.391 nan 4.420 nan 0.000 0.274 501 P C -0.444 176.780 177.300 -0.128 0.000 1.256 501 P CA 0.058 63.031 63.100 -0.211 0.000 0.795 501 P CB 0.736 32.328 31.700 -0.180 0.000 1.038 502 M N 0.246 119.789 119.600 -0.094 0.000 2.190 502 M HA 0.482 4.962 4.480 -0.000 0.000 0.312 502 M C -1.150 175.101 176.300 -0.082 0.000 0.990 502 M CA -0.605 54.536 55.300 -0.265 0.000 0.927 502 M CB 1.244 33.643 32.600 -0.336 0.000 1.571 502 M HN 0.244 nan 8.290 nan 0.000 0.427 503 Y N -0.043 120.394 120.300 0.229 0.000 4.134 503 Y HA -0.164 4.386 4.550 -0.000 0.000 0.234 503 Y C 0.327 176.363 175.900 0.226 0.000 1.200 503 Y CA 0.513 58.751 58.100 0.230 0.000 1.958 503 Y CB -2.430 36.154 38.460 0.207 0.000 1.605 503 Y HN 0.988 nan 8.280 nan 0.000 0.690 504 A N 1.084 124.092 122.820 0.313 0.000 2.401 504 A HA 0.619 4.939 4.320 -0.000 0.000 0.259 504 A C 0.779 178.553 177.584 0.317 0.000 1.103 504 A CA -0.553 51.665 52.037 0.302 0.000 0.789 504 A CB 0.427 19.645 19.000 0.364 0.000 1.035 504 A HN 0.379 nan 8.150 nan 0.000 0.491 505 R N 1.733 122.346 120.500 0.190 0.000 2.577 505 R HA 0.307 4.647 4.340 -0.000 0.000 0.269 505 R C 0.963 177.225 176.300 -0.062 0.000 1.084 505 R CA -0.767 55.394 56.100 0.101 0.000 1.163 505 R CB 0.472 30.790 30.300 0.030 0.000 1.100 505 R HN 0.465 nan 8.270 nan 0.000 0.547 506 V N 0.627 120.338 119.914 -0.337 0.000 2.261 506 V HA -0.224 3.896 4.120 -0.000 0.000 0.246 506 V C 1.124 177.091 176.094 -0.212 0.000 1.047 506 V CA 1.917 63.975 62.300 -0.403 0.000 1.015 506 V CB -0.274 31.209 31.823 -0.567 0.000 0.642 506 V HN 0.781 nan 8.190 nan 0.000 0.446 507 D N -1.541 118.769 120.400 -0.150 0.000 2.474 507 D HA 0.118 4.758 4.640 -0.000 0.000 0.213 507 D C 0.732 177.005 176.300 -0.045 0.000 1.120 507 D CA 0.040 53.989 54.000 -0.086 0.000 0.836 507 D CB 1.018 41.776 40.800 -0.070 0.000 1.019 507 D HN 0.501 nan 8.370 nan 0.000 0.507 508 E N 1.609 121.784 120.200 -0.041 0.000 2.183 508 E HA 0.165 4.515 4.350 -0.000 0.000 0.271 508 E C -1.070 175.507 176.600 -0.038 0.000 0.919 508 E CA -0.612 55.768 56.400 -0.032 0.000 0.781 508 E CB 1.650 31.329 29.700 -0.035 0.000 1.140 508 E HN -0.205 nan 8.360 nan 0.000 0.402 509 D N 3.180 123.557 120.400 -0.039 0.000 2.264 509 D HA 0.144 4.784 4.640 -0.000 0.000 0.249 509 D C -0.586 175.584 176.300 -0.215 0.000 1.070 509 D CA -0.020 53.935 54.000 -0.075 0.000 0.912 509 D CB 1.343 42.172 40.800 0.049 0.000 1.193 509 D HN 0.394 nan 8.370 nan 0.000 0.427 510 Q N 1.430 120.984 119.800 -0.411 0.000 2.644 510 Q HA 0.258 4.598 4.340 -0.000 0.000 0.245 510 Q C -2.265 173.134 176.000 -1.002 0.000 1.064 510 Q CA -1.671 53.722 55.803 -0.684 0.000 0.860 510 Q CB 1.661 29.945 28.738 -0.756 0.000 1.145 510 Q HN 0.049 nan 8.270 nan 0.000 0.515 511 P HA -0.007 nan 4.420 nan 0.000 0.264 511 P C -1.025 176.050 177.300 -0.375 0.000 1.537 511 P CA 0.216 63.004 63.100 -0.519 0.000 1.189 511 P CB -0.271 31.292 31.700 -0.228 0.000 1.687 512 F N 4.755 124.551 119.950 -0.256 0.000 2.394 512 F HA 0.345 4.872 4.527 -0.000 0.000 0.340 512 F C -1.531 174.180 175.800 -0.148 0.000 1.105 512 F CA -3.346 54.553 58.000 -0.169 0.000 1.124 512 F CB 0.039 38.949 39.000 -0.150 0.000 1.145 512 F HN 0.136 nan 8.300 nan 0.000 0.505 513 P HA 0.191 nan 4.420 nan 0.000 0.267 513 P C 0.329 177.653 177.300 0.040 0.000 1.209 513 P CA 0.906 64.036 63.100 0.051 0.000 0.763 513 P CB 1.187 32.910 31.700 0.037 0.000 0.816 514 A N 3.517 126.355 122.820 0.030 0.000 2.097 514 A HA -0.240 4.080 4.320 -0.000 0.000 0.229 514 A C 0.785 178.385 177.584 0.028 0.000 0.571 514 A CA 1.682 53.738 52.037 0.032 0.000 1.156 514 A CB -2.634 16.382 19.000 0.026 0.000 1.413 514 A HN 0.544 nan 8.150 nan 0.000 0.705 515 V N -2.420 117.507 119.914 0.022 0.000 2.727 515 V HA 0.460 4.580 4.120 -0.000 0.000 0.336 515 V C -2.340 173.736 176.094 -0.030 0.000 1.228 515 V CA -1.109 61.202 62.300 0.019 0.000 1.270 515 V CB -0.069 31.773 31.823 0.032 0.000 1.486 515 V HN 0.466 nan 8.190 nan 0.000 0.638 516 P HA 0.117 nan 4.420 nan 0.000 0.269 516 P C -0.378 176.419 177.300 -0.839 0.000 1.205 516 P CA 0.528 63.211 63.100 -0.696 0.000 0.780 516 P CB 0.547 31.401 31.700 -1.410 0.000 0.858 517 K N 1.616 121.490 120.400 -0.876 0.000 2.507 517 K HA 0.258 4.578 4.320 -0.000 0.000 0.253 517 K C -0.784 175.362 176.600 -0.757 0.000 0.969 517 K CA -0.309 55.643 56.287 -0.559 0.000 0.908 517 K CB 0.932 33.378 32.500 -0.089 0.000 1.127 517 K HN 0.470 nan 8.250 nan 0.000 0.437 518 W N 1.092 122.009 121.300 -0.640 0.000 2.253 518 W HA 0.197 4.857 4.660 -0.000 0.000 0.348 518 W C 1.187 177.647 176.519 -0.099 0.000 1.229 518 W CA -0.704 56.383 57.345 -0.431 0.000 1.335 518 W CB 0.652 29.709 29.460 -0.671 0.000 1.165 518 W HN 0.413 nan 8.180 nan 0.000 0.631 519 S N 2.625 118.425 115.700 0.166 0.000 2.558 519 S HA -0.091 4.379 4.470 -0.000 0.000 0.293 519 S C 1.214 175.929 174.600 0.192 0.000 1.292 519 S CA -0.169 58.095 58.200 0.107 0.000 1.063 519 S CB 0.099 63.320 63.200 0.035 0.000 0.831 519 S HN 0.544 nan 8.310 nan 0.000 0.499 520 I N 2.321 122.988 120.570 0.162 0.000 2.530 520 I HA -0.175 3.995 4.170 -0.000 0.000 0.257 520 I C 1.786 177.953 176.117 0.084 0.000 1.179 520 I CA 1.293 62.708 61.300 0.192 0.000 1.440 520 I CB -0.444 37.635 38.000 0.132 0.000 1.087 520 I HN 0.624 nan 8.210 nan 0.000 0.440 521 K N 2.133 122.500 120.400 -0.056 0.000 2.228 521 K HA -0.110 4.210 4.320 -0.000 0.000 0.202 521 K C 2.128 178.765 176.600 0.062 0.000 1.051 521 K CA 1.534 57.743 56.287 -0.130 0.000 0.960 521 K CB -0.204 32.093 32.500 -0.338 0.000 0.743 521 K HN 0.516 nan 8.250 nan 0.000 0.458 522 K N 0.271 120.713 120.400 0.069 0.000 2.262 522 K HA -0.088 4.232 4.320 -0.000 0.000 0.200 522 K C 1.790 178.425 176.600 0.059 0.000 1.049 522 K CA 0.173 56.479 56.287 0.032 0.000 0.979 522 K CB -0.086 32.385 32.500 -0.049 0.000 0.773 522 K HN 0.090 nan 8.250 nan 0.000 0.474 523 W N 2.294 123.606 121.300 0.021 0.000 2.325 523 W HA -0.153 4.507 4.660 -0.000 0.000 0.299 523 W C 1.501 178.021 176.519 0.001 0.000 1.215 523 W CA 1.146 58.518 57.345 0.045 0.000 1.244 523 W CB -0.460 29.096 29.460 0.159 0.000 1.140 523 W HN 0.108 nan 8.180 nan 0.000 0.523 524 L N 0.548 121.945 121.223 0.290 0.000 1.970 524 L HA -0.265 4.075 4.340 -0.000 0.000 0.212 524 L C 2.486 179.427 176.870 0.118 0.000 1.071 524 L CA 2.183 57.125 54.840 0.170 0.000 0.751 524 L CB -1.541 40.615 42.059 0.162 0.000 0.889 524 L HN -0.047 nan 8.230 nan 0.000 0.432 525 S N -0.278 115.475 115.700 0.090 0.000 2.727 525 S HA 0.054 4.524 4.470 -0.000 0.000 0.226 525 S C 0.661 175.254 174.600 -0.011 0.000 0.963 525 S CA -0.227 57.993 58.200 0.034 0.000 0.950 525 S CB -1.058 62.156 63.200 0.023 0.000 0.779 525 S HN 0.187 nan 8.310 nan 0.000 0.532 526 L N 2.132 123.352 121.223 -0.005 0.000 2.456 526 L HA 0.265 4.605 4.340 -0.000 0.000 0.272 526 L C -2.033 174.810 176.870 -0.045 0.000 1.189 526 L CA -2.042 52.750 54.840 -0.080 0.000 0.846 526 L CB -0.088 41.893 42.059 -0.130 0.000 1.111 526 L HN 0.093 nan 8.230 nan 0.000 0.475 527 P HA -0.023 nan 4.420 nan 0.000 0.256 527 P C 0.738 178.028 177.300 -0.016 0.000 1.173 527 P CA 1.055 64.129 63.100 -0.042 0.000 0.768 527 P CB 0.529 32.198 31.700 -0.052 0.000 0.758 528 G N 2.396 111.194 108.800 -0.003 0.000 2.475 528 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.209 528 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.209 528 G C 0.260 175.172 174.900 0.021 0.000 1.127 528 G CA -0.220 44.886 45.100 0.010 0.000 0.681 528 G HN 0.610 nan 8.290 nan 0.000 0.517 529 E N 1.801 122.021 120.200 0.033 0.000 2.452 529 E HA 0.469 4.819 4.350 -0.000 0.000 0.261 529 E C 1.387 178.007 176.600 0.032 0.000 0.987 529 E CA 1.191 57.619 56.400 0.047 0.000 0.926 529 E CB 0.793 30.547 29.700 0.092 0.000 0.934 529 E HN 0.818 nan 8.360 nan 0.000 0.452 530 T N 0.399 114.967 114.554 0.024 0.000 3.186 530 T HA 0.311 4.661 4.350 -0.000 0.000 0.292 530 T C 0.479 175.184 174.700 0.008 0.000 0.915 530 T CA -0.486 61.624 62.100 0.016 0.000 0.902 530 T CB 0.124 69.001 68.868 0.015 0.000 1.192 530 T HN 0.240 nan 8.240 nan 0.000 0.563 531 R N 2.213 122.712 120.500 -0.002 0.000 2.577 531 R HA 0.531 4.871 4.340 -0.000 0.000 0.269 531 R C -2.654 173.625 176.300 -0.036 0.000 1.084 531 R CA -1.919 54.169 56.100 -0.021 0.000 1.163 531 R CB 0.045 30.323 30.300 -0.038 0.000 1.100 531 R HN 0.201 nan 8.270 nan 0.000 0.547 532 P HA 0.079 nan 4.420 nan 0.000 0.277 532 P C -1.156 176.082 177.300 -0.104 0.000 1.240 532 P CA -0.257 62.807 63.100 -0.060 0.000 0.798 532 P CB 0.711 32.380 31.700 -0.053 0.000 0.979 533 L N 4.426 125.575 121.223 -0.125 0.000 2.325 533 L HA 0.552 4.892 4.340 -0.000 0.000 0.281 533 L C -0.957 175.787 176.870 -0.209 0.000 1.004 533 L CA -0.640 54.093 54.840 -0.180 0.000 0.823 533 L CB 0.077 42.048 42.059 -0.146 0.000 1.236 533 L HN 0.354 nan 8.230 nan 0.000 0.415 534 I N 6.015 126.461 120.570 -0.206 0.000 2.560 534 I HA 0.196 4.366 4.170 -0.000 0.000 0.283 534 I C -0.672 175.362 176.117 -0.138 0.000 1.115 534 I CA -0.575 60.597 61.300 -0.213 0.000 1.066 534 I CB 2.053 39.975 38.000 -0.130 0.000 1.221 534 I HN 0.399 nan 8.210 nan 0.000 0.450 535 L N 5.410 126.526 121.223 -0.179 0.000 2.477 535 L HA 0.034 4.374 4.340 -0.000 0.000 0.272 535 L C 1.483 178.426 176.870 0.123 0.000 1.157 535 L CA -0.095 54.697 54.840 -0.080 0.000 0.889 535 L CB 0.447 42.436 42.059 -0.116 0.000 1.158 535 L HN 0.838 nan 8.230 nan 0.000 0.473 536 C N 0.102 119.459 119.300 0.095 0.000 2.468 536 C HA 0.132 4.592 4.460 -0.000 0.000 0.277 536 C C 0.611 175.745 174.990 0.240 0.000 1.400 536 C CA -0.330 58.789 59.018 0.170 0.000 1.770 536 C CB -1.182 26.559 27.740 0.002 0.000 1.905 536 C HN 0.815 nan 8.230 nan 0.000 0.519 537 E N -0.192 120.061 120.200 0.089 0.000 2.291 537 E HA 0.584 4.934 4.350 -0.000 0.000 0.276 537 E C -1.331 175.197 176.600 -0.120 0.000 0.896 537 E CA -0.334 56.081 56.400 0.025 0.000 0.774 537 E CB 1.881 31.421 29.700 -0.266 0.000 1.227 537 E HN 0.581 nan 8.360 nan 0.000 0.413 538 Y N -0.472 119.823 120.300 -0.008 0.000 2.638 538 Y HA 0.652 5.202 4.550 -0.000 0.000 0.335 538 Y C -0.584 175.510 175.900 0.322 0.000 1.155 538 Y CA -1.138 57.002 58.100 0.067 0.000 1.046 538 Y CB 0.708 39.049 38.460 -0.199 0.000 1.303 538 Y HN 0.654 nan 8.280 nan 0.000 0.460 539 A N 2.151 125.052 122.820 0.135 0.000 2.303 539 A HA -0.251 4.069 4.320 -0.000 0.000 0.286 539 A C -0.219 177.467 177.584 0.170 0.000 1.429 539 A CA 1.015 53.094 52.037 0.071 0.000 0.738 539 A CB -2.560 16.351 19.000 -0.148 0.000 1.149 539 A HN 1.172 nan 8.150 nan 0.000 0.364 540 H N 0.768 119.950 119.070 0.187 0.000 3.226 540 H HA 0.229 4.785 4.556 -0.000 0.000 0.260 540 H C 1.143 176.498 175.328 0.046 0.000 0.967 540 H CA 0.912 57.080 56.048 0.200 0.000 1.435 540 H CB 0.360 30.146 29.762 0.041 0.000 1.533 540 H HN 0.822 nan 8.280 nan 0.000 0.525 541 A N 6.751 129.471 122.820 -0.167 0.000 2.728 541 A HA 0.051 4.371 4.320 -0.000 0.000 0.258 541 A C 0.937 178.333 177.584 -0.314 0.000 1.454 541 A CA -0.380 51.515 52.037 -0.237 0.000 1.146 541 A CB -0.642 18.203 19.000 -0.258 0.000 0.985 541 A HN 0.793 nan 8.150 nan 0.000 0.603 542 M N 1.529 120.941 119.600 -0.313 0.000 2.319 542 M HA 0.459 4.939 4.480 -0.000 0.000 0.343 542 M C 0.700 176.801 176.300 -0.331 0.000 1.364 542 M CA 1.134 56.249 55.300 -0.309 0.000 1.292 542 M CB -0.601 31.872 32.600 -0.211 0.000 1.432 542 M HN 0.831 nan 8.290 nan 0.000 0.448 543 G N 4.165 112.711 108.800 -0.423 0.000 2.512 543 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.240 543 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.240 543 G C -0.437 173.951 174.900 -0.853 0.000 1.246 543 G CA -0.257 44.433 45.100 -0.682 0.000 0.919 543 G HN 0.816 nan 8.290 nan 0.000 0.577 544 N N 1.309 119.457 118.700 -0.919 0.000 2.406 544 N HA 0.488 5.228 4.740 -0.000 0.000 0.274 544 N C 0.054 175.328 175.510 -0.394 0.000 1.249 544 N CA 1.255 53.947 53.050 -0.598 0.000 0.951 544 N CB 0.511 38.806 38.487 -0.320 0.000 1.241 544 N HN 0.842 nan 8.380 nan 0.000 0.485 545 S N 2.062 117.566 115.700 -0.326 0.000 2.880 545 S HA 0.583 5.053 4.470 -0.000 0.000 0.308 545 S C -0.231 174.250 174.600 -0.197 0.000 1.195 545 S CA -0.443 57.616 58.200 -0.235 0.000 0.866 545 S CB 0.155 63.235 63.200 -0.201 0.000 1.254 545 S HN 0.474 nan 8.310 nan 0.000 0.571 546 L N 0.202 121.334 121.223 -0.151 0.000 4.406 546 L HA -0.070 4.270 4.340 -0.000 0.000 0.406 546 L C 0.377 177.216 176.870 -0.052 0.000 1.133 546 L CA 0.702 55.456 54.840 -0.144 0.000 0.974 546 L CB -1.503 40.364 42.059 -0.320 0.000 2.152 546 L HN 0.681 nan 8.230 nan 0.000 0.736 547 G N -0.658 108.105 108.800 -0.061 0.000 2.360 547 G HA2 0.496 4.456 3.960 -0.000 0.000 0.279 547 G HA3 0.496 4.456 3.960 -0.000 0.000 0.279 547 G C 1.144 176.036 174.900 -0.013 0.000 1.189 547 G CA 0.287 45.338 45.100 -0.080 0.000 0.941 547 G HN 1.213 nan 8.290 nan 0.000 0.445 548 G N 1.947 110.755 108.800 0.013 0.000 2.163 548 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.213 548 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.213 548 G C 0.912 175.980 174.900 0.280 0.000 0.991 548 G CA 0.492 45.634 45.100 0.070 0.000 0.653 548 G HN 0.612 nan 8.290 nan 0.000 0.518 549 F N 2.023 122.069 119.950 0.159 0.000 2.043 549 F HA 0.088 4.615 4.527 -0.000 0.000 0.297 549 F C 2.887 178.859 175.800 0.285 0.000 1.121 549 F CA 2.868 61.039 58.000 0.284 0.000 1.199 549 F CB -0.771 38.347 39.000 0.196 0.000 0.968 549 F HN 0.398 nan 8.300 nan 0.000 0.478 550 A N -0.247 122.773 122.820 0.333 0.000 2.023 550 A HA -0.345 3.975 4.320 -0.000 0.000 0.223 550 A C 2.324 179.951 177.584 0.071 0.000 1.180 550 A CA 2.297 54.443 52.037 0.182 0.000 0.659 550 A CB -0.936 18.164 19.000 0.167 0.000 0.817 550 A HN 0.501 nan 8.150 nan 0.000 0.466 551 K N -1.852 118.565 120.400 0.028 0.000 1.985 551 K HA -0.168 4.152 4.320 -0.000 0.000 0.210 551 K C 1.860 178.278 176.600 -0.303 0.000 1.047 551 K CA 1.859 58.078 56.287 -0.112 0.000 0.932 551 K CB -0.398 32.008 32.500 -0.157 0.000 0.716 551 K HN 0.582 nan 8.250 nan 0.000 0.439 552 Y N -0.148 119.902 120.300 -0.416 0.000 1.993 552 Y HA -0.324 4.226 4.550 -0.000 0.000 0.267 552 Y C 2.238 177.321 175.900 -1.362 0.000 1.155 552 Y CA 2.042 59.564 58.100 -0.963 0.000 1.105 552 Y CB -0.890 36.920 38.460 -1.083 0.000 0.960 552 Y HN 0.243 nan 8.280 nan 0.000 0.486 553 W N 0.314 121.143 121.300 -0.786 0.000 2.321 553 W HA -0.268 4.392 4.660 -0.000 0.000 0.285 553 W C 2.656 179.005 176.519 -0.283 0.000 1.213 553 W CA 1.855 58.878 57.345 -0.536 0.000 1.205 553 W CB -0.555 28.687 29.460 -0.363 0.000 1.134 553 W HN 0.234 nan 8.180 nan 0.000 0.549 554 Q N 0.288 120.025 119.800 -0.106 0.000 2.084 554 Q HA -0.209 4.131 4.340 -0.000 0.000 0.202 554 Q C 2.302 178.277 176.000 -0.042 0.000 0.978 554 Q CA 1.913 57.694 55.803 -0.035 0.000 0.844 554 Q CB -0.349 28.367 28.738 -0.035 0.000 0.898 554 Q HN 0.277 nan 8.270 nan 0.000 0.426 555 A N 0.417 123.127 122.820 -0.183 0.000 1.873 555 A HA -0.146 4.174 4.320 -0.000 0.000 0.215 555 A C 1.742 179.350 177.584 0.041 0.000 1.186 555 A CA 1.101 53.043 52.037 -0.158 0.000 0.616 555 A CB -0.820 17.954 19.000 -0.376 0.000 0.823 555 A HN 0.423 nan 8.150 nan 0.000 0.442 556 F N 0.364 120.193 119.950 -0.203 0.000 2.091 556 F HA -0.157 4.370 4.527 -0.000 0.000 0.299 556 F C 2.362 178.129 175.800 -0.054 0.000 1.103 556 F CA 1.391 59.252 58.000 -0.232 0.000 1.228 556 F CB -0.870 37.817 39.000 -0.522 0.000 0.984 556 F HN 0.201 nan 8.300 nan 0.000 0.477 557 R N 0.235 120.860 120.500 0.209 0.000 2.328 557 R HA -0.064 4.276 4.340 -0.000 0.000 0.200 557 R C 1.720 178.099 176.300 0.131 0.000 0.983 557 R CA 0.482 56.673 56.100 0.152 0.000 1.062 557 R CB -0.243 30.132 30.300 0.124 0.000 0.956 557 R HN 0.496 nan 8.270 nan 0.000 0.479 558 Q N -0.598 119.325 119.800 0.204 0.000 2.322 558 Q HA 0.053 4.393 4.340 -0.000 0.000 0.250 558 Q C -0.622 175.464 176.000 0.142 0.000 0.853 558 Q CA 0.061 55.983 55.803 0.197 0.000 0.951 558 Q CB 0.713 29.581 28.738 0.216 0.000 1.114 558 Q HN 0.166 nan 8.270 nan 0.000 0.523 559 Y N 1.409 121.714 120.300 0.010 0.000 2.417 559 Y HA 0.349 4.899 4.550 -0.000 0.000 0.336 559 Y C -1.849 174.045 175.900 -0.011 0.000 0.961 559 Y CA -2.778 55.324 58.100 0.003 0.000 1.215 559 Y CB 1.540 40.007 38.460 0.011 0.000 1.120 559 Y HN 0.136 nan 8.280 nan 0.000 0.499 560 P HA -0.177 nan 4.420 nan 0.000 0.216 560 P C 1.206 178.514 177.300 0.014 0.000 1.150 560 P CA 1.622 64.730 63.100 0.012 0.000 0.843 560 P CB 0.371 32.058 31.700 -0.021 0.000 0.787 561 R N -1.083 119.442 120.500 0.042 0.000 2.276 561 R HA 0.103 4.443 4.340 -0.000 0.000 0.203 561 R C 0.635 176.932 176.300 -0.005 0.000 1.017 561 R CA 0.198 56.311 56.100 0.021 0.000 1.010 561 R CB -0.414 29.904 30.300 0.031 0.000 0.900 561 R HN 0.279 nan 8.270 nan 0.000 0.469 562 L N 1.609 122.853 121.223 0.035 0.000 2.278 562 L HA 0.155 4.495 4.340 -0.000 0.000 0.287 562 L C 0.728 177.473 176.870 -0.208 0.000 1.072 562 L CA 0.158 54.960 54.840 -0.062 0.000 0.819 562 L CB 1.298 43.398 42.059 0.067 0.000 1.176 562 L HN 0.001 nan 8.230 nan 0.000 0.435 563 Q N 2.853 122.431 119.800 -0.370 0.000 2.157 563 Q HA 0.338 4.678 4.340 -0.000 0.000 0.229 563 Q C 0.625 176.221 176.000 -0.673 0.000 0.827 563 Q CA 0.050 55.612 55.803 -0.401 0.000 1.055 563 Q CB 1.328 29.931 28.738 -0.225 0.000 1.157 563 Q HN 0.990 nan 8.270 nan 0.000 0.482 564 G N -0.382 107.568 108.800 -1.416 0.000 2.416 564 G HA2 0.124 4.084 3.960 -0.000 0.000 0.203 564 G HA3 0.124 4.084 3.960 -0.000 0.000 0.203 564 G C -0.269 173.792 174.900 -1.399 0.000 1.227 564 G CA -0.674 43.324 45.100 -1.837 0.000 1.041 564 G HN 0.557 nan 8.290 nan 0.000 0.546 565 G N -2.279 106.012 108.800 -0.849 0.000 2.342 565 G HA2 0.640 4.600 3.960 -0.000 0.000 0.297 565 G HA3 0.640 4.600 3.960 -0.000 0.000 0.297 565 G C -1.917 172.888 174.900 -0.157 0.000 1.313 565 G CA -0.245 44.569 45.100 -0.476 0.000 0.830 565 G HN 1.175 nan 8.290 nan 0.000 0.506 566 F N 0.450 120.626 119.950 0.377 0.000 2.477 566 F HA 0.541 5.068 4.527 -0.000 0.000 0.335 566 F C 0.658 176.769 175.800 0.517 0.000 1.130 566 F CA -0.764 57.493 58.000 0.429 0.000 0.948 566 F CB 2.288 41.435 39.000 0.245 0.000 1.154 566 F HN 0.268 nan 8.300 nan 0.000 0.439 567 V N 3.289 123.502 119.914 0.497 0.000 2.740 567 V HA -0.087 4.033 4.120 -0.000 0.000 0.303 567 V C -0.281 175.985 176.094 0.286 0.000 1.054 567 V CA -0.419 61.979 62.300 0.164 0.000 1.106 567 V CB 0.840 32.760 31.823 0.161 0.000 0.957 567 V HN 0.755 nan 8.190 nan 0.000 0.486 568 W N 5.594 126.973 121.300 0.133 0.000 2.329 568 W HA 0.428 5.088 4.660 -0.000 0.000 0.312 568 W C -0.693 175.832 176.519 0.010 0.000 1.054 568 W CA -0.351 57.102 57.345 0.181 0.000 1.245 568 W CB 1.455 31.173 29.460 0.431 0.000 1.255 568 W HN 0.718 nan 8.180 nan 0.000 0.436 569 D N 3.329 123.445 120.400 -0.474 0.000 2.801 569 D HA 0.145 4.785 4.640 -0.000 0.000 0.277 569 D C 0.042 176.152 176.300 -0.317 0.000 1.125 569 D CA -0.465 53.074 54.000 -0.769 0.000 1.102 569 D CB 1.117 41.303 40.800 -1.024 0.000 1.400 569 D HN 0.543 nan 8.370 nan 0.000 0.601 570 W N 0.812 121.811 121.300 -0.501 0.000 2.726 570 W HA 0.156 4.816 4.660 -0.000 0.000 0.285 570 W C 0.009 176.306 176.519 -0.370 0.000 1.110 570 W CA 0.272 57.377 57.345 -0.400 0.000 1.579 570 W CB 0.427 29.685 29.460 -0.337 0.000 1.118 570 W HN 0.128 nan 8.180 nan 0.000 0.556 571 V N 0.387 120.056 119.914 -0.409 0.000 2.919 571 V HA 0.420 4.540 4.120 -0.000 0.000 0.316 571 V C -0.552 175.324 176.094 -0.364 0.000 1.077 571 V CA -1.017 61.008 62.300 -0.459 0.000 0.977 571 V CB 1.410 33.080 31.823 -0.254 0.000 1.039 571 V HN -0.088 nan 8.190 nan 0.000 0.441 572 D N 1.829 122.044 120.400 -0.308 0.000 2.350 572 D HA 0.177 4.817 4.640 -0.000 0.000 0.249 572 D C 0.183 176.313 176.300 -0.283 0.000 1.119 572 D CA 0.177 54.037 54.000 -0.233 0.000 0.886 572 D CB 1.724 42.481 40.800 -0.071 0.000 1.195 572 D HN 0.658 nan 8.370 nan 0.000 0.437 573 Q N 0.859 120.442 119.800 -0.362 0.000 2.294 573 Q HA 0.057 4.397 4.340 -0.000 0.000 0.256 573 Q C -0.115 175.783 176.000 -0.169 0.000 0.907 573 Q CA -0.214 55.215 55.803 -0.622 0.000 0.954 573 Q CB 0.109 28.529 28.738 -0.530 0.000 1.102 573 Q HN 0.363 nan 8.270 nan 0.000 0.429 574 S N -0.635 115.070 115.700 0.008 0.000 2.565 574 S HA 0.445 4.915 4.470 -0.000 0.000 0.274 574 S C 0.186 174.916 174.600 0.217 0.000 1.309 574 S CA -0.649 57.674 58.200 0.206 0.000 1.043 574 S CB 1.486 64.793 63.200 0.179 0.000 0.939 574 S HN 0.257 nan 8.310 nan 0.000 0.504 575 L N 1.541 122.844 121.223 0.134 0.000 2.397 575 L HA 0.589 4.929 4.340 -0.000 0.000 0.266 575 L C -0.096 176.647 176.870 -0.211 0.000 1.040 575 L CA -1.113 53.680 54.840 -0.078 0.000 0.800 575 L CB 0.804 42.730 42.059 -0.221 0.000 1.324 575 L HN 0.605 nan 8.230 nan 0.000 0.469 576 I N 1.496 121.867 120.570 -0.331 0.000 2.390 576 I HA 0.272 4.442 4.170 -0.000 0.000 0.283 576 I C -0.436 175.196 176.117 -0.807 0.000 1.016 576 I CA -0.452 60.515 61.300 -0.555 0.000 1.151 576 I CB 1.323 39.027 38.000 -0.494 0.000 1.293 576 I HN 0.474 nan 8.210 nan 0.000 0.458 577 K N 5.354 125.015 120.400 -1.230 0.000 2.156 577 K HA 0.543 4.863 4.320 -0.000 0.000 0.254 577 K C -1.340 174.423 176.600 -1.396 0.000 0.950 577 K CA -0.662 54.791 56.287 -1.390 0.000 0.849 577 K CB 2.231 33.621 32.500 -1.851 0.000 1.100 577 K HN 0.251 nan 8.250 nan 0.000 0.434 578 Y N 0.601 120.643 120.300 -0.430 0.000 2.496 578 Y HA 0.123 4.673 4.550 -0.000 0.000 0.331 578 Y C 0.555 176.556 175.900 0.169 0.000 1.140 578 Y CA -0.814 57.228 58.100 -0.096 0.000 1.166 578 Y CB 0.975 39.397 38.460 -0.063 0.000 1.249 578 Y HN 0.656 nan 8.280 nan 0.000 0.479 579 D N -0.916 119.734 120.400 0.416 0.000 2.478 579 D HA 0.169 4.809 4.640 -0.000 0.000 0.263 579 D C 0.404 176.812 176.300 0.180 0.000 1.153 579 D CA -0.620 53.571 54.000 0.318 0.000 1.038 579 D CB 0.545 41.483 40.800 0.229 0.000 1.120 579 D HN 0.642 nan 8.370 nan 0.000 0.564 580 E N -0.417 119.851 120.200 0.113 0.000 2.136 580 E HA -0.284 4.066 4.350 -0.000 0.000 0.202 580 E C 0.937 177.571 176.600 0.056 0.000 1.019 580 E CA 1.359 57.798 56.400 0.064 0.000 0.819 580 E CB -0.391 29.330 29.700 0.034 0.000 0.739 580 E HN 0.320 nan 8.360 nan 0.000 0.458 581 N N 0.245 118.984 118.700 0.064 0.000 2.413 581 N HA 0.032 4.772 4.740 -0.000 0.000 0.207 581 N C 0.168 175.716 175.510 0.063 0.000 1.206 581 N CA 0.749 53.830 53.050 0.051 0.000 0.832 581 N CB 0.171 38.685 38.487 0.044 0.000 1.037 581 N HN 0.331 nan 8.380 nan 0.000 0.467 582 G N 0.804 109.650 108.800 0.078 0.000 2.305 582 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.287 582 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.287 582 G C -0.371 174.617 174.900 0.147 0.000 1.036 582 G CA -0.150 44.983 45.100 0.056 0.000 0.887 582 G HN 0.365 nan 8.290 nan 0.000 0.505 583 N N 1.031 119.881 118.700 0.249 0.000 2.408 583 N HA 0.445 5.185 4.740 -0.000 0.000 0.280 583 N C -2.642 173.096 175.510 0.381 0.000 1.002 583 N CA -1.398 51.825 53.050 0.288 0.000 0.907 583 N CB 2.300 40.906 38.487 0.198 0.000 1.161 583 N HN 0.089 nan 8.380 nan 0.000 0.488 584 P HA 0.197 nan 4.420 nan 0.000 0.276 584 P C -0.473 176.842 177.300 0.025 0.000 1.230 584 P CA -0.150 62.917 63.100 -0.055 0.000 0.776 584 P CB 0.467 32.167 31.700 0.000 0.000 0.888 585 W N -0.164 120.913 121.300 -0.373 0.000 3.213 585 W HA 0.332 4.992 4.660 -0.000 0.000 0.318 585 W C -1.384 174.911 176.519 -0.373 0.000 1.248 585 W CA -1.060 56.043 57.345 -0.403 0.000 1.187 585 W CB 0.413 29.479 29.460 -0.658 0.000 1.403 585 W HN 0.079 nan 8.180 nan 0.000 0.556 586 S N 2.135 117.879 115.700 0.073 0.000 2.519 586 S HA 0.360 4.830 4.470 -0.000 0.000 0.320 586 S C 0.472 175.194 174.600 0.205 0.000 1.179 586 S CA 0.098 58.350 58.200 0.087 0.000 1.173 586 S CB -0.489 62.804 63.200 0.155 0.000 1.224 586 S HN 0.545 nan 8.310 nan 0.000 0.542 587 A N 3.877 126.646 122.820 -0.085 0.000 2.363 587 A HA 0.624 4.944 4.320 -0.000 0.000 0.270 587 A C -0.157 177.648 177.584 0.368 0.000 1.121 587 A CA -0.471 51.536 52.037 -0.048 0.000 0.800 587 A CB 0.112 18.832 19.000 -0.467 0.000 1.052 587 A HN 0.793 nan 8.150 nan 0.000 0.493 588 Y N 0.624 121.220 120.300 0.493 0.000 2.914 588 Y HA 0.770 5.320 4.550 -0.000 0.000 0.315 588 Y C 0.610 176.817 175.900 0.512 0.000 1.345 588 Y CA -1.730 56.633 58.100 0.438 0.000 1.121 588 Y CB -0.070 38.507 38.460 0.194 0.000 1.363 588 Y HN 0.792 nan 8.280 nan 0.000 0.566 589 G N -0.143 109.039 108.800 0.637 0.000 2.272 589 G HA2 0.398 4.358 3.960 -0.000 0.000 0.247 589 G HA3 0.398 4.358 3.960 -0.000 0.000 0.247 589 G C 0.880 176.119 174.900 0.565 0.000 1.272 589 G CA 0.347 45.722 45.100 0.459 0.000 0.921 589 G HN 1.969 nan 8.290 nan 0.000 0.495 590 G N 2.413 111.519 108.800 0.510 0.000 2.234 590 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.235 590 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.235 590 G C 0.607 175.717 174.900 0.350 0.000 0.997 590 G CA 0.369 45.706 45.100 0.394 0.000 0.623 590 G HN 0.682 nan 8.290 nan 0.000 0.514 591 D N 0.140 120.751 120.400 0.351 0.000 2.652 591 D HA 0.415 5.055 4.640 -0.000 0.000 0.247 591 D C 0.633 176.755 176.300 -0.297 0.000 1.232 591 D CA 0.312 54.344 54.000 0.053 0.000 0.863 591 D CB -0.401 40.381 40.800 -0.031 0.000 1.023 591 D HN 0.427 nan 8.370 nan 0.000 0.474 592 F N -1.228 118.830 119.950 0.180 0.000 3.087 592 F HA 0.219 4.746 4.527 -0.000 0.000 0.371 592 F C 1.647 177.526 175.800 0.132 0.000 1.144 592 F CA -0.132 57.945 58.000 0.128 0.000 1.030 592 F CB 0.776 39.873 39.000 0.163 0.000 1.366 592 F HN 0.082 nan 8.300 nan 0.000 0.522 593 G N 1.181 110.156 108.800 0.291 0.000 2.157 593 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.248 593 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.248 593 G C -0.346 174.695 174.900 0.236 0.000 0.979 593 G CA 0.073 45.303 45.100 0.216 0.000 0.650 593 G HN 0.390 nan 8.290 nan 0.000 0.529 594 D N 0.848 121.436 120.400 0.314 0.000 2.339 594 D HA 0.469 5.109 4.640 -0.000 0.000 0.256 594 D C -0.250 176.175 176.300 0.208 0.000 1.214 594 D CA 0.334 54.504 54.000 0.283 0.000 0.877 594 D CB 1.317 42.343 40.800 0.377 0.000 1.111 594 D HN 0.042 nan 8.370 nan 0.000 0.478 595 T N 3.024 117.671 114.554 0.156 0.000 3.071 595 T HA 0.397 4.747 4.350 -0.000 0.000 0.311 595 T C -2.105 172.642 174.700 0.078 0.000 1.042 595 T CA -0.895 61.269 62.100 0.106 0.000 1.028 595 T CB 1.935 70.861 68.868 0.098 0.000 1.068 595 T HN 0.402 nan 8.240 nan 0.000 0.451 596 P HA 0.501 nan 4.420 nan 0.000 0.286 596 P C -0.845 176.462 177.300 0.011 0.000 1.293 596 P CA -0.505 62.603 63.100 0.014 0.000 0.770 596 P CB 0.645 32.323 31.700 -0.037 0.000 1.206 597 N N -1.958 116.737 118.700 -0.009 0.000 3.227 597 N HA 0.095 4.835 4.740 -0.000 0.000 0.241 597 N C -1.632 173.858 175.510 -0.033 0.000 1.480 597 N CA -0.504 52.538 53.050 -0.014 0.000 0.886 597 N CB 0.958 39.521 38.487 0.126 0.000 1.406 597 N HN 0.271 nan 8.380 nan 0.000 0.514 598 D N 0.274 120.681 120.400 0.012 0.000 2.895 598 D HA 0.205 4.845 4.640 -0.000 0.000 0.350 598 D C 0.460 176.913 176.300 0.256 0.000 1.389 598 D CA -0.191 53.847 54.000 0.063 0.000 0.812 598 D CB 1.084 41.810 40.800 -0.124 0.000 1.164 598 D HN 0.578 nan 8.370 nan 0.000 0.455 599 R N 0.348 120.984 120.500 0.227 0.000 3.587 599 R HA -0.349 3.991 4.340 -0.000 0.000 0.556 599 R C 0.831 177.066 176.300 -0.107 0.000 0.241 599 R CA 1.596 57.789 56.100 0.155 0.000 1.724 599 R CB -1.269 29.022 30.300 -0.015 0.000 0.885 599 R HN 0.125 nan 8.270 nan 0.000 0.613 600 Q N 0.527 119.985 119.800 -0.569 0.000 2.444 600 Q HA 0.183 4.523 4.340 -0.000 0.000 0.206 600 Q C 1.495 177.240 176.000 -0.425 0.000 0.948 600 Q CA 0.878 56.219 55.803 -0.770 0.000 0.946 600 Q CB -0.034 28.069 28.738 -1.059 0.000 1.027 600 Q HN 0.413 nan 8.270 nan 0.000 0.513 601 F N 0.489 120.319 119.950 -0.200 0.000 2.583 601 F HA -0.133 4.394 4.527 -0.000 0.000 0.297 601 F C 1.445 177.213 175.800 -0.053 0.000 1.131 601 F CA 0.429 58.400 58.000 -0.049 0.000 1.467 601 F CB -0.121 38.891 39.000 0.020 0.000 1.097 601 F HN 0.329 nan 8.300 nan 0.000 0.586 602 C N -1.604 117.505 119.300 -0.318 0.000 2.626 602 C HA 0.285 4.745 4.460 -0.000 0.000 0.266 602 C C 0.895 175.686 174.990 -0.332 0.000 1.317 602 C CA -0.546 58.096 59.018 -0.627 0.000 1.716 602 C CB -1.737 24.870 27.740 -1.887 0.000 1.819 602 C HN 0.175 nan 8.230 nan 0.000 0.578 603 M N 3.070 122.518 119.600 -0.254 0.000 2.044 603 M HA 0.343 4.823 4.480 -0.000 0.000 0.333 603 M C -0.223 175.943 176.300 -0.223 0.000 1.004 603 M CA 0.197 55.367 55.300 -0.217 0.000 0.954 603 M CB 0.639 33.140 32.600 -0.166 0.000 1.468 603 M HN 0.241 nan 8.290 nan 0.000 0.414 604 N N 1.507 120.067 118.700 -0.232 0.000 2.167 604 N HA 0.133 4.873 4.740 -0.000 0.000 0.234 604 N C 0.360 175.637 175.510 -0.389 0.000 1.312 604 N CA -0.098 52.764 53.050 -0.314 0.000 0.861 604 N CB 1.334 39.706 38.487 -0.192 0.000 1.217 604 N HN 0.723 nan 8.380 nan 0.000 0.504 605 G N 0.355 108.897 108.800 -0.429 0.000 2.599 605 G HA2 0.398 4.358 3.960 -0.000 0.000 0.264 605 G HA3 0.398 4.358 3.960 -0.000 0.000 0.264 605 G C 0.865 175.317 174.900 -0.748 0.000 1.200 605 G CA -0.406 44.366 45.100 -0.546 0.000 0.896 605 G HN 0.094 nan 8.290 nan 0.000 0.536 606 L N -0.365 120.417 121.223 -0.734 0.000 2.529 606 L HA 0.214 4.554 4.340 -0.000 0.000 0.223 606 L C 0.672 176.919 176.870 -1.037 0.000 1.113 606 L CA 0.114 54.511 54.840 -0.738 0.000 0.861 606 L CB 0.108 41.932 42.059 -0.393 0.000 1.012 606 L HN 0.392 nan 8.230 nan 0.000 0.461 607 V N -4.993 114.218 119.914 -1.173 0.000 3.007 607 V HA 0.506 4.626 4.120 -0.000 0.000 0.311 607 V C -0.507 175.164 176.094 -0.706 0.000 1.120 607 V CA -1.134 60.605 62.300 -0.935 0.000 0.980 607 V CB 1.826 33.150 31.823 -0.832 0.000 1.033 607 V HN -0.149 nan 8.190 nan 0.000 0.429 608 F N 2.144 121.983 119.950 -0.185 0.000 2.450 608 F HA 0.604 5.131 4.527 -0.000 0.000 0.339 608 F C 1.864 177.577 175.800 -0.145 0.000 1.146 608 F CA 0.495 58.473 58.000 -0.036 0.000 1.267 608 F CB 1.139 40.158 39.000 0.031 0.000 1.178 608 F HN 0.851 nan 8.300 nan 0.000 0.585 609 A N 1.164 124.059 122.820 0.126 0.000 2.266 609 A HA -0.257 4.063 4.320 -0.000 0.000 0.219 609 A C 1.291 178.853 177.584 -0.037 0.000 1.178 609 A CA 2.061 54.114 52.037 0.027 0.000 0.678 609 A CB -1.308 17.734 19.000 0.069 0.000 0.789 609 A HN 0.842 nan 8.150 nan 0.000 0.486 610 D N -4.434 115.966 120.400 -0.001 0.000 2.395 610 D HA 0.334 4.974 4.640 -0.000 0.000 0.213 610 D C 0.616 176.908 176.300 -0.014 0.000 1.110 610 D CA -0.378 53.596 54.000 -0.043 0.000 0.835 610 D CB 0.279 41.053 40.800 -0.045 0.000 0.965 610 D HN 0.096 nan 8.370 nan 0.000 0.505 611 R N -0.888 119.593 120.500 -0.033 0.000 3.908 611 R HA -0.114 4.226 4.340 -0.000 0.000 0.381 611 R C -0.505 175.786 176.300 -0.016 0.000 1.135 611 R CA 1.214 57.276 56.100 -0.063 0.000 0.990 611 R CB -3.387 26.914 30.300 0.001 0.000 1.557 611 R HN 0.541 nan 8.270 nan 0.000 0.535 612 T N -1.694 112.906 114.554 0.075 0.000 2.882 612 T HA 0.688 5.038 4.350 -0.000 0.000 0.287 612 T C -2.454 172.341 174.700 0.158 0.000 0.992 612 T CA -2.115 60.068 62.100 0.139 0.000 1.076 612 T CB 2.285 71.265 68.868 0.187 0.000 0.961 612 T HN -0.200 nan 8.240 nan 0.000 0.490 613 P HA 0.291 nan 4.420 nan 0.000 0.276 613 P C -0.385 176.951 177.300 0.059 0.000 1.230 613 P CA -0.309 62.780 63.100 -0.019 0.000 0.776 613 P CB 0.289 31.991 31.700 0.004 0.000 0.888 614 H N 3.609 122.492 119.070 -0.312 0.000 2.546 614 H HA 0.173 4.729 4.556 -0.000 0.000 0.365 614 H C -1.229 174.017 175.328 -0.137 0.000 1.220 614 H CA -1.956 53.923 56.048 -0.282 0.000 1.386 614 H CB -0.620 28.938 29.762 -0.340 0.000 1.510 614 H HN 0.285 nan 8.280 nan 0.000 0.591 615 P HA -0.128 nan 4.420 nan 0.000 0.219 615 P C 1.059 178.351 177.300 -0.014 0.000 1.146 615 P CA 1.706 64.801 63.100 -0.009 0.000 0.808 615 P CB 0.008 31.687 31.700 -0.035 0.000 0.779 616 A N 0.093 122.899 122.820 -0.022 0.000 1.917 616 A HA -0.218 4.102 4.320 -0.000 0.000 0.219 616 A C 2.121 179.644 177.584 -0.103 0.000 1.182 616 A CA 1.612 53.589 52.037 -0.101 0.000 0.633 616 A CB -1.715 17.181 19.000 -0.174 0.000 0.819 616 A HN 0.180 nan 8.150 nan 0.000 0.448 617 L N -0.197 120.987 121.223 -0.064 0.000 2.103 617 L HA -0.214 4.126 4.340 -0.000 0.000 0.215 617 L C 2.371 179.270 176.870 0.047 0.000 1.080 617 L CA 2.788 57.632 54.840 0.006 0.000 0.764 617 L CB -0.952 41.111 42.059 0.007 0.000 0.890 617 L HN 0.379 nan 8.230 nan 0.000 0.435 618 T N -1.427 113.156 114.554 0.048 0.000 2.995 618 T HA -0.126 4.224 4.350 -0.000 0.000 0.269 618 T C 1.667 176.457 174.700 0.150 0.000 1.091 618 T CA 1.164 63.339 62.100 0.126 0.000 1.128 618 T CB -0.012 68.910 68.868 0.090 0.000 0.891 618 T HN 0.371 nan 8.240 nan 0.000 0.492 619 E N 1.497 121.724 120.200 0.045 0.000 2.051 619 E HA 0.111 4.461 4.350 -0.000 0.000 0.189 619 E C 2.217 178.833 176.600 0.027 0.000 0.979 619 E CA 1.112 57.545 56.400 0.055 0.000 0.803 619 E CB -0.515 29.177 29.700 -0.014 0.000 0.761 619 E HN 0.360 nan 8.360 nan 0.000 0.451 620 A N 1.516 124.259 122.820 -0.129 0.000 1.842 620 A HA -0.325 3.995 4.320 -0.000 0.000 0.217 620 A C 2.185 179.670 177.584 -0.166 0.000 1.206 620 A CA 2.515 54.488 52.037 -0.106 0.000 0.630 620 A CB -0.983 17.939 19.000 -0.131 0.000 0.839 620 A HN 0.321 nan 8.150 nan 0.000 0.447 621 K N -1.246 119.084 120.400 -0.118 0.000 2.071 621 K HA -0.328 3.992 4.320 -0.000 0.000 0.217 621 K C 2.114 178.569 176.600 -0.242 0.000 1.054 621 K CA 2.279 58.485 56.287 -0.136 0.000 0.937 621 K CB -0.514 32.043 32.500 0.096 0.000 0.719 621 K HN 0.783 nan 8.250 nan 0.000 0.454 622 H N -0.289 118.602 119.070 -0.299 0.000 2.267 622 H HA -0.133 4.423 4.556 -0.000 0.000 0.297 622 H C 2.042 177.083 175.328 -0.477 0.000 1.080 622 H CA 1.848 57.552 56.048 -0.575 0.000 1.278 622 H CB 0.159 29.653 29.762 -0.447 0.000 1.365 622 H HN 0.333 nan 8.280 nan 0.000 0.489 623 Q N 0.506 120.023 119.800 -0.472 0.000 2.181 623 Q HA -0.140 4.200 4.340 -0.000 0.000 0.205 623 Q C 2.164 177.611 176.000 -0.922 0.000 0.980 623 Q CA 1.282 56.728 55.803 -0.595 0.000 0.862 623 Q CB -0.217 28.308 28.738 -0.356 0.000 0.905 623 Q HN 0.717 nan 8.270 nan 0.000 0.429 624 Q N 0.739 119.992 119.800 -0.913 0.000 2.432 624 Q HA -0.020 4.320 4.340 -0.000 0.000 0.205 624 Q C 0.340 175.746 176.000 -0.991 0.000 0.945 624 Q CA -0.197 54.932 55.803 -1.123 0.000 0.924 624 Q CB 0.028 28.137 28.738 -1.049 0.000 1.016 624 Q HN 0.492 nan 8.270 nan 0.000 0.503 625 Q N -0.196 119.156 119.800 -0.745 0.000 2.379 625 Q HA -0.133 4.207 4.340 -0.000 0.000 0.320 625 Q C -0.364 175.218 176.000 -0.697 0.000 1.153 625 Q CA 0.514 55.969 55.803 -0.581 0.000 0.993 625 Q CB 0.244 28.790 28.738 -0.320 0.000 1.265 625 Q HN 0.167 nan 8.270 nan 0.000 0.423 626 F N -0.025 119.707 119.950 -0.364 0.000 2.749 626 F HA 0.325 4.852 4.527 -0.000 0.000 0.300 626 F C -0.157 175.086 175.800 -0.928 0.000 1.103 626 F CA -0.197 57.363 58.000 -0.733 0.000 1.342 626 F CB 0.442 38.709 39.000 -1.222 0.000 1.098 626 F HN 0.336 nan 8.300 nan 0.000 0.586 627 F N 0.322 120.195 119.950 -0.128 0.000 2.508 627 F HA 0.526 5.052 4.527 -0.000 0.000 0.325 627 F C -0.033 175.444 175.800 -0.539 0.000 1.090 627 F CA -1.025 56.799 58.000 -0.293 0.000 0.945 627 F CB 1.277 40.138 39.000 -0.233 0.000 1.156 627 F HN -0.304 nan 8.300 nan 0.000 0.463 628 Q N 2.777 122.269 119.800 -0.514 0.000 2.394 628 Q HA 0.577 4.917 4.340 -0.000 0.000 0.273 628 Q C -1.549 174.092 176.000 -0.599 0.000 1.089 628 Q CA -0.742 54.801 55.803 -0.434 0.000 0.812 628 Q CB 3.195 31.829 28.738 -0.173 0.000 1.353 628 Q HN 0.509 nan 8.270 nan 0.000 0.438 629 F N -0.086 119.996 119.950 0.220 0.000 2.577 629 F HA 0.642 5.169 4.527 -0.000 0.000 0.318 629 F C 0.133 176.176 175.800 0.404 0.000 1.065 629 F CA -0.922 57.287 58.000 0.348 0.000 0.929 629 F CB 1.887 41.230 39.000 0.571 0.000 1.237 629 F HN 0.190 nan 8.300 nan 0.000 0.468 630 R N 1.539 122.338 120.500 0.498 0.000 2.564 630 R HA 0.663 5.003 4.340 -0.000 0.000 0.284 630 R C -2.113 174.219 176.300 0.053 0.000 1.031 630 R CA -1.007 55.277 56.100 0.307 0.000 0.904 630 R CB 2.609 33.007 30.300 0.163 0.000 1.199 630 R HN 0.718 nan 8.270 nan 0.000 0.443 631 L N 2.151 123.286 121.223 -0.146 0.000 2.313 631 L HA 0.537 4.877 4.340 -0.000 0.000 0.283 631 L C -1.035 175.687 176.870 -0.246 0.000 1.013 631 L CA 0.148 54.700 54.840 -0.480 0.000 0.816 631 L CB 1.946 43.229 42.059 -1.293 0.000 1.236 631 L HN 0.541 nan 8.230 nan 0.000 0.419 632 S N 4.463 120.040 115.700 -0.206 0.000 2.746 632 S HA 0.720 5.190 4.470 -0.000 0.000 0.273 632 S C 0.262 174.784 174.600 -0.129 0.000 1.172 632 S CA 0.223 58.347 58.200 -0.127 0.000 1.116 632 S CB 0.211 63.365 63.200 -0.078 0.000 1.057 632 S HN 1.645 nan 8.310 nan 0.000 0.483 633 G N 4.932 113.661 108.800 -0.119 0.000 2.583 633 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.292 633 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.292 633 G C -0.161 174.652 174.900 -0.145 0.000 1.203 633 G CA 0.707 45.743 45.100 -0.107 0.000 0.987 633 G HN 0.881 nan 8.290 nan 0.000 0.554 634 Q N 1.636 121.355 119.800 -0.135 0.000 2.286 634 Q HA 0.453 4.793 4.340 -0.000 0.000 0.281 634 Q C 0.195 176.081 176.000 -0.190 0.000 0.897 634 Q CA 0.771 56.474 55.803 -0.166 0.000 1.023 634 Q CB 0.179 28.834 28.738 -0.139 0.000 1.151 634 Q HN 0.777 nan 8.270 nan 0.000 0.445 635 T N -1.502 112.938 114.554 -0.191 0.000 2.841 635 T HA 0.730 5.080 4.350 -0.000 0.000 0.285 635 T C -0.115 174.464 174.700 -0.201 0.000 0.991 635 T CA -0.714 61.282 62.100 -0.173 0.000 0.966 635 T CB 1.166 69.967 68.868 -0.112 0.000 0.962 635 T HN 0.140 nan 8.240 nan 0.000 0.438 636 I N 2.228 122.693 120.570 -0.175 0.000 2.359 636 I HA 0.427 4.597 4.170 -0.000 0.000 0.294 636 I C 0.422 176.543 176.117 0.006 0.000 0.987 636 I CA -0.748 60.480 61.300 -0.121 0.000 1.225 636 I CB 1.404 39.363 38.000 -0.069 0.000 1.366 636 I HN 0.728 nan 8.210 nan 0.000 0.466 637 E N 7.161 127.400 120.200 0.065 0.000 2.102 637 E HA 0.386 4.736 4.350 -0.000 0.000 0.263 637 E C -1.409 175.257 176.600 0.111 0.000 0.894 637 E CA -0.660 55.783 56.400 0.072 0.000 0.746 637 E CB 1.392 31.115 29.700 0.039 0.000 1.129 637 E HN 0.478 nan 8.360 nan 0.000 0.416 638 V N 3.847 123.819 119.914 0.097 0.000 2.530 638 V HA 0.258 4.378 4.120 -0.000 0.000 0.282 638 V C 0.282 176.370 176.094 -0.011 0.000 1.048 638 V CA -0.321 61.988 62.300 0.015 0.000 0.997 638 V CB 1.257 33.126 31.823 0.076 0.000 0.987 638 V HN 0.681 nan 8.190 nan 0.000 0.477 639 T N 3.582 118.087 114.554 -0.082 0.000 2.809 639 T HA 0.329 4.679 4.350 -0.000 0.000 0.284 639 T C -0.073 174.577 174.700 -0.083 0.000 0.992 639 T CA -0.234 61.832 62.100 -0.058 0.000 0.957 639 T CB 1.446 70.274 68.868 -0.066 0.000 0.942 639 T HN 0.792 nan 8.240 nan 0.000 0.439 640 S N 2.334 117.997 115.700 -0.061 0.000 2.525 640 S HA 0.243 4.713 4.470 -0.000 0.000 0.278 640 S C 0.637 175.089 174.600 -0.246 0.000 1.234 640 S CA -0.542 57.546 58.200 -0.188 0.000 1.058 640 S CB 0.599 63.765 63.200 -0.057 0.000 0.983 640 S HN 0.706 nan 8.310 nan 0.000 0.495 641 E N 3.034 122.990 120.200 -0.406 0.000 2.437 641 E HA 0.118 4.468 4.350 -0.000 0.000 0.195 641 E C -1.040 175.317 176.600 -0.405 0.000 1.029 641 E CA -0.106 56.108 56.400 -0.310 0.000 0.948 641 E CB 0.272 29.835 29.700 -0.228 0.000 1.082 641 E HN 0.622 nan 8.360 nan 0.000 0.456 642 Y N 0.230 120.347 120.300 -0.305 0.000 2.299 642 Y HA 0.129 4.678 4.550 -0.000 0.000 0.326 642 Y C 1.166 176.870 175.900 -0.326 0.000 1.164 642 Y CA -0.123 57.763 58.100 -0.357 0.000 1.234 642 Y CB 0.908 39.164 38.460 -0.340 0.000 1.219 642 Y HN -0.004 nan 8.280 nan 0.000 0.497 643 L N 1.302 122.359 121.223 -0.276 0.000 2.357 643 L HA 0.020 4.360 4.340 -0.000 0.000 0.211 643 L C 0.572 177.000 176.870 -0.737 0.000 1.075 643 L CA 0.760 55.194 54.840 -0.676 0.000 0.830 643 L CB 0.082 41.377 42.059 -1.272 0.000 0.996 643 L HN 0.596 nan 8.230 nan 0.000 0.467 644 F N -0.977 118.970 119.950 -0.004 0.000 2.729 644 F HA 0.201 4.728 4.527 -0.000 0.000 0.304 644 F C 1.154 176.919 175.800 -0.057 0.000 1.008 644 F CA -0.699 57.276 58.000 -0.043 0.000 1.188 644 F CB 0.093 39.048 39.000 -0.075 0.000 0.980 644 F HN -0.137 nan 8.300 nan 0.000 0.627 645 R N -0.112 120.412 120.500 0.040 0.000 2.540 645 R HA 0.498 4.838 4.340 -0.000 0.000 0.287 645 R C -1.006 175.255 176.300 -0.065 0.000 0.980 645 R CA -0.615 55.434 56.100 -0.084 0.000 0.966 645 R CB 0.905 31.045 30.300 -0.267 0.000 1.106 645 R HN 0.060 nan 8.270 nan 0.000 0.480 646 H N 0.669 119.690 119.070 -0.082 0.000 2.505 646 H HA 0.135 4.691 4.556 -0.000 0.000 0.351 646 H C -0.070 175.252 175.328 -0.009 0.000 1.151 646 H CA 0.158 56.197 56.048 -0.016 0.000 1.339 646 H CB 1.248 31.012 29.762 0.005 0.000 1.483 646 H HN 0.779 nan 8.280 nan 0.000 0.558 647 S N 2.067 117.699 115.700 -0.113 0.000 4.051 647 S HA -0.037 4.433 4.470 -0.000 0.000 0.215 647 S C 0.037 174.710 174.600 0.121 0.000 1.289 647 S CA -0.154 58.091 58.200 0.075 0.000 0.907 647 S CB -0.802 62.455 63.200 0.095 0.000 1.603 647 S HN 0.707 nan 8.310 nan 0.000 0.453 648 D N 0.343 120.815 120.400 0.120 0.000 2.325 648 D HA 0.086 4.726 4.640 -0.000 0.000 0.225 648 D C 0.337 176.676 176.300 0.064 0.000 1.096 648 D CA -0.258 53.807 54.000 0.107 0.000 0.844 648 D CB -0.207 40.648 40.800 0.092 0.000 0.925 648 D HN 0.453 nan 8.370 nan 0.000 0.513 649 N N -0.013 118.727 118.700 0.067 0.000 2.604 649 N HA 0.139 4.879 4.740 -0.000 0.000 0.284 649 N C -1.568 173.990 175.510 0.080 0.000 1.716 649 N CA -0.170 52.915 53.050 0.057 0.000 0.859 649 N CB 0.371 38.881 38.487 0.038 0.000 1.403 649 N HN -0.047 nan 8.380 nan 0.000 0.501 650 E N 0.149 120.385 120.200 0.061 0.000 2.246 650 E HA 0.450 4.800 4.350 -0.000 0.000 0.266 650 E C -1.660 174.945 176.600 0.008 0.000 0.880 650 E CA -0.615 55.803 56.400 0.030 0.000 0.762 650 E CB 1.999 31.674 29.700 -0.040 0.000 1.180 650 E HN 0.102 nan 8.360 nan 0.000 0.416 651 L N 3.945 125.179 121.223 0.018 0.000 2.356 651 L HA 0.546 4.886 4.340 -0.000 0.000 0.277 651 L C -1.713 175.145 176.870 -0.019 0.000 0.996 651 L CA -0.986 53.843 54.840 -0.018 0.000 0.822 651 L CB 1.523 43.567 42.059 -0.025 0.000 1.256 651 L HN 0.574 nan 8.230 nan 0.000 0.413 652 L N 5.195 126.402 121.223 -0.027 0.000 2.255 652 L HA 0.449 4.789 4.340 -0.000 0.000 0.289 652 L C -0.858 176.042 176.870 0.050 0.000 1.046 652 L CA 0.167 55.045 54.840 0.064 0.000 0.816 652 L CB 0.381 42.516 42.059 0.128 0.000 1.197 652 L HN 0.638 nan 8.230 nan 0.000 0.427 653 H N 5.227 124.408 119.070 0.185 0.000 2.473 653 H HA 0.547 5.103 4.556 -0.000 0.000 0.327 653 H C -1.047 174.425 175.328 0.240 0.000 1.105 653 H CA 0.029 56.168 56.048 0.151 0.000 1.280 653 H CB 0.852 30.646 29.762 0.054 0.000 1.450 653 H HN 0.652 nan 8.280 nan 0.000 0.492 654 W N 4.875 126.281 121.300 0.177 0.000 3.022 654 W HA 0.534 5.194 4.660 -0.000 0.000 0.335 654 W C -2.009 174.582 176.519 0.120 0.000 1.133 654 W CA -1.280 56.148 57.345 0.138 0.000 1.219 654 W CB 1.331 30.856 29.460 0.108 0.000 1.409 654 W HN 0.422 nan 8.180 nan 0.000 0.507 655 M N 4.070 123.784 119.600 0.190 0.000 2.378 655 M HA 0.534 5.013 4.480 -0.000 0.000 0.289 655 M C -2.336 174.078 176.300 0.189 0.000 1.136 655 M CA -0.548 54.762 55.300 0.018 0.000 0.917 655 M CB 2.028 34.511 32.600 -0.196 0.000 1.669 655 M HN 0.298 nan 8.290 nan 0.000 0.461 656 V N 3.719 123.727 119.914 0.157 0.000 2.532 656 V HA 0.966 5.086 4.120 -0.000 0.000 0.295 656 V C -0.080 176.092 176.094 0.129 0.000 1.041 656 V CA -0.320 62.104 62.300 0.208 0.000 0.926 656 V CB 1.346 33.318 31.823 0.247 0.000 0.992 656 V HN 1.014 nan 8.190 nan 0.000 0.457 657 A N 4.312 127.235 122.820 0.171 0.000 2.540 657 A HA 0.699 5.019 4.320 -0.000 0.000 0.297 657 A C -1.642 176.055 177.584 0.188 0.000 1.056 657 A CA -0.523 51.592 52.037 0.129 0.000 0.700 657 A CB 1.446 20.488 19.000 0.068 0.000 1.280 657 A HN 0.664 nan 8.150 nan 0.000 0.398 658 L N 2.598 123.900 121.223 0.131 0.000 2.268 658 L HA 0.367 4.707 4.340 -0.000 0.000 0.289 658 L C -0.216 176.743 176.870 0.148 0.000 1.064 658 L CA 0.189 55.115 54.840 0.144 0.000 0.824 658 L CB -0.396 41.718 42.059 0.091 0.000 1.202 658 L HN 0.761 nan 8.230 nan 0.000 0.433 659 D N 5.253 125.805 120.400 0.253 0.000 2.971 659 D HA -0.234 4.406 4.640 -0.000 0.000 0.212 659 D C 1.226 177.561 176.300 0.058 0.000 1.243 659 D CA 1.131 55.281 54.000 0.249 0.000 0.781 659 D CB -0.580 40.344 40.800 0.207 0.000 0.894 659 D HN 1.097 nan 8.370 nan 0.000 0.392 660 G N 0.417 109.208 108.800 -0.016 0.000 2.284 660 G HA2 -0.393 3.567 3.960 -0.000 0.000 0.261 660 G HA3 -0.393 3.567 3.960 -0.000 0.000 0.261 660 G C 0.315 175.136 174.900 -0.131 0.000 0.997 660 G CA 0.825 45.813 45.100 -0.186 0.000 0.621 660 G HN 0.485 nan 8.290 nan 0.000 0.534 661 K N 2.176 122.549 120.400 -0.046 0.000 2.248 661 K HA 0.529 4.849 4.320 -0.000 0.000 0.281 661 K C -2.491 174.096 176.600 -0.022 0.000 1.054 661 K CA -1.928 54.334 56.287 -0.042 0.000 0.903 661 K CB 1.445 33.933 32.500 -0.019 0.000 1.077 661 K HN 0.090 nan 8.250 nan 0.000 0.474 662 P HA 0.017 nan 4.420 nan 0.000 0.267 662 P C -0.204 177.082 177.300 -0.023 0.000 1.209 662 P CA 0.141 63.214 63.100 -0.045 0.000 0.763 662 P CB 0.619 32.271 31.700 -0.080 0.000 0.816 663 L N 1.544 122.766 121.223 -0.001 0.000 2.609 663 L HA 0.524 4.864 4.340 -0.000 0.000 0.230 663 L C 0.899 177.765 176.870 -0.006 0.000 1.064 663 L CA 0.228 55.075 54.840 0.011 0.000 0.873 663 L CB 0.127 42.214 42.059 0.047 0.000 1.139 663 L HN 0.372 nan 8.230 nan 0.000 0.490 664 A N -0.431 122.364 122.820 -0.041 0.000 2.590 664 A HA 0.703 5.023 4.320 -0.000 0.000 0.294 664 A C -1.111 176.258 177.584 -0.358 0.000 1.046 664 A CA -0.377 51.585 52.037 -0.124 0.000 0.684 664 A CB 1.285 20.285 19.000 -0.001 0.000 1.279 664 A HN -0.033 nan 8.150 nan 0.000 0.415 665 S N -0.648 114.716 115.700 -0.560 0.000 2.579 665 S HA 0.954 5.424 4.470 -0.000 0.000 0.272 665 S C -0.059 173.925 174.600 -1.026 0.000 1.141 665 S CA -0.250 57.408 58.200 -0.904 0.000 0.843 665 S CB 1.926 64.855 63.200 -0.452 0.000 1.122 665 S HN 2.122 nan 8.310 nan 0.000 0.468 666 G N 0.113 108.040 108.800 -1.455 0.000 2.687 666 G HA2 0.732 4.692 3.960 -0.000 0.000 0.291 666 G HA3 0.732 4.692 3.960 -0.000 0.000 0.291 666 G C -2.142 172.644 174.900 -0.192 0.000 1.420 666 G CA -0.775 44.010 45.100 -0.524 0.000 0.796 666 G HN 0.608 nan 8.290 nan 0.000 0.485 667 E N -0.978 119.312 120.200 0.151 0.000 2.304 667 E HA 0.535 4.884 4.350 -0.000 0.000 0.277 667 E C -1.504 175.158 176.600 0.102 0.000 0.898 667 E CA -0.734 55.675 56.400 0.016 0.000 0.764 667 E CB 3.050 32.644 29.700 -0.178 0.000 1.216 667 E HN 0.326 nan 8.360 nan 0.000 0.419 668 V N 2.245 122.199 119.914 0.065 0.000 2.686 668 V HA 0.397 4.517 4.120 -0.000 0.000 0.306 668 V C -2.577 173.527 176.094 0.017 0.000 1.065 668 V CA -2.187 60.149 62.300 0.060 0.000 0.894 668 V CB 1.971 33.842 31.823 0.079 0.000 1.004 668 V HN 0.543 nan 8.190 nan 0.000 0.424 669 P HA 0.288 nan 4.420 nan 0.000 0.282 669 P C -0.492 176.824 177.300 0.026 0.000 1.274 669 P CA -0.090 63.020 63.100 0.017 0.000 0.770 669 P CB 0.645 32.361 31.700 0.027 0.000 0.867 670 L N 3.629 124.860 121.223 0.013 0.000 2.349 670 L HA 0.247 4.587 4.340 -0.000 0.000 0.275 670 L C 0.488 177.375 176.870 0.028 0.000 1.115 670 L CA 0.631 55.472 54.840 0.003 0.000 0.820 670 L CB 0.596 42.612 42.059 -0.072 0.000 1.135 670 L HN 0.417 nan 8.230 nan 0.000 0.445 671 D N 2.832 123.247 120.400 0.026 0.000 2.934 671 D HA 0.285 4.925 4.640 -0.000 0.000 0.249 671 D C -1.122 175.146 176.300 -0.053 0.000 1.293 671 D CA -0.237 53.793 54.000 0.050 0.000 0.812 671 D CB 0.697 41.589 40.800 0.154 0.000 1.439 671 D HN 0.121 nan 8.370 nan 0.000 0.555 672 V N -0.250 119.504 119.914 -0.266 0.000 2.715 672 V HA 1.007 5.127 4.120 -0.000 0.000 0.310 672 V C 0.742 176.488 176.094 -0.581 0.000 1.054 672 V CA -1.099 61.055 62.300 -0.243 0.000 0.928 672 V CB 1.316 33.125 31.823 -0.023 0.000 1.007 672 V HN 0.414 nan 8.190 nan 0.000 0.437 673 A N 3.885 126.583 122.820 -0.205 0.000 2.287 673 A HA 0.798 5.118 4.320 -0.000 0.000 0.273 673 A C -2.464 175.112 177.584 -0.013 0.000 1.091 673 A CA -1.652 50.385 52.037 -0.000 0.000 0.817 673 A CB -0.233 18.846 19.000 0.131 0.000 1.069 673 A HN 0.775 nan 8.150 nan 0.000 0.492 674 P HA 0.124 nan 4.420 nan 0.000 0.268 674 P C -0.410 176.873 177.300 -0.030 0.000 1.204 674 P CA 0.482 63.583 63.100 0.001 0.000 0.768 674 P CB 0.433 32.125 31.700 -0.014 0.000 0.842 675 Q N -1.173 118.590 119.800 -0.061 0.000 2.348 675 Q HA -0.184 4.156 4.340 -0.000 0.000 0.221 675 Q C 0.671 176.650 176.000 -0.035 0.000 0.735 675 Q CA 1.342 57.107 55.803 -0.063 0.000 1.351 675 Q CB -2.539 26.160 28.738 -0.066 0.000 1.640 675 Q HN 0.704 nan 8.270 nan 0.000 0.667 676 G N 0.683 109.471 108.800 -0.020 0.000 2.437 676 G HA2 0.515 4.475 3.960 -0.000 0.000 0.319 676 G HA3 0.515 4.475 3.960 -0.000 0.000 0.319 676 G C -0.622 174.278 174.900 0.000 0.000 1.158 676 G CA -0.569 44.529 45.100 -0.003 0.000 0.899 676 G HN -0.026 nan 8.290 nan 0.000 0.502 677 K N 0.021 120.426 120.400 0.009 0.000 2.138 677 K HA 0.402 4.722 4.320 -0.000 0.000 0.263 677 K C -0.414 176.200 176.600 0.024 0.000 0.965 677 K CA -0.440 55.855 56.287 0.014 0.000 0.868 677 K CB 1.778 34.284 32.500 0.010 0.000 1.083 677 K HN 0.565 nan 8.250 nan 0.000 0.443 678 Q N 3.559 123.377 119.800 0.031 0.000 2.347 678 Q HA 0.376 4.716 4.340 -0.000 0.000 0.271 678 Q C -1.658 174.362 176.000 0.032 0.000 1.064 678 Q CA -0.700 55.124 55.803 0.034 0.000 0.800 678 Q CB 1.332 30.096 28.738 0.042 0.000 1.304 678 Q HN 0.518 nan 8.270 nan 0.000 0.438 679 L N 5.575 126.809 121.223 0.019 0.000 2.294 679 L HA 0.528 4.867 4.340 -0.000 0.000 0.283 679 L C -0.606 176.257 176.870 -0.012 0.000 1.015 679 L CA -0.562 54.279 54.840 0.002 0.000 0.831 679 L CB 1.187 43.242 42.059 -0.008 0.000 1.217 679 L HN 0.564 nan 8.230 nan 0.000 0.420 680 I N 2.672 123.226 120.570 -0.027 0.000 2.354 680 I HA 0.353 4.523 4.170 -0.000 0.000 0.292 680 I C -0.149 175.896 176.117 -0.121 0.000 0.989 680 I CA -0.529 60.733 61.300 -0.064 0.000 1.188 680 I CB 1.948 39.911 38.000 -0.061 0.000 1.342 680 I HN 0.601 nan 8.210 nan 0.000 0.457 681 E N 5.882 126.005 120.200 -0.127 0.000 2.151 681 E HA 0.526 4.876 4.350 -0.000 0.000 0.275 681 E C -1.095 175.376 176.600 -0.215 0.000 0.936 681 E CA -0.647 55.663 56.400 -0.149 0.000 0.777 681 E CB 1.941 31.583 29.700 -0.097 0.000 1.108 681 E HN 0.452 nan 8.360 nan 0.000 0.401 682 L N 5.394 126.447 121.223 -0.283 0.000 2.357 682 L HA 0.423 4.763 4.340 -0.000 0.000 0.273 682 L C -1.830 174.909 176.870 -0.219 0.000 1.080 682 L CA -1.998 52.604 54.840 -0.396 0.000 0.803 682 L CB 0.451 42.150 42.059 -0.599 0.000 1.174 682 L HN 0.438 nan 8.230 nan 0.000 0.443 683 P HA -0.014 nan 4.420 nan 0.000 0.271 683 P C -0.468 176.824 177.300 -0.013 0.000 1.238 683 P CA -0.412 62.674 63.100 -0.023 0.000 0.794 683 P CB 0.421 32.174 31.700 0.090 0.000 0.959 684 E N -0.105 120.104 120.200 0.015 0.000 2.442 684 E HA 0.048 4.398 4.350 -0.000 0.000 0.262 684 E C -0.503 176.125 176.600 0.047 0.000 1.004 684 E CA -0.013 56.396 56.400 0.016 0.000 0.928 684 E CB 0.130 29.839 29.700 0.015 0.000 0.937 684 E HN 0.254 nan 8.360 nan 0.000 0.446 685 L N 5.414 126.657 121.223 0.033 0.000 2.344 685 L HA 0.432 4.772 4.340 -0.000 0.000 0.272 685 L C -1.976 174.930 176.870 0.059 0.000 1.035 685 L CA -2.178 52.702 54.840 0.067 0.000 0.807 685 L CB 1.090 43.184 42.059 0.057 0.000 1.237 685 L HN 0.512 nan 8.230 nan 0.000 0.442 686 P HA 0.120 nan 4.420 nan 0.000 0.271 686 P C -1.476 175.851 177.300 0.045 0.000 1.218 686 P CA -0.355 62.781 63.100 0.059 0.000 0.780 686 P CB 0.432 32.172 31.700 0.067 0.000 0.901 687 Q N 1.682 121.502 119.800 0.034 0.000 3.122 687 Q HA 0.297 4.637 4.340 -0.000 0.000 0.282 687 Q C -2.150 173.865 176.000 0.025 0.000 0.947 687 Q CA -1.554 54.265 55.803 0.025 0.000 0.812 687 Q CB 0.404 29.151 28.738 0.016 0.000 1.333 687 Q HN 0.424 nan 8.270 nan 0.000 0.430 688 P HA 0.030 nan 4.420 nan 0.000 0.272 688 P C 0.090 177.405 177.300 0.025 0.000 1.223 688 P CA -0.031 63.086 63.100 0.029 0.000 0.784 688 P CB 1.474 33.195 31.700 0.036 0.000 0.923 689 E N 0.316 120.530 120.200 0.024 0.000 2.075 689 E HA 0.001 4.351 4.350 -0.000 0.000 0.190 689 E C 0.304 176.919 176.600 0.026 0.000 0.969 689 E CA 0.269 56.682 56.400 0.022 0.000 0.815 689 E CB -0.596 29.116 29.700 0.019 0.000 0.776 689 E HN 0.467 nan 8.360 nan 0.000 0.457 690 S N 2.349 118.067 115.700 0.029 0.000 3.332 690 S HA 0.067 4.537 4.470 -0.000 0.000 0.395 690 S C 0.436 175.059 174.600 0.039 0.000 1.180 690 S CA 0.139 58.359 58.200 0.033 0.000 0.985 690 S CB 0.109 63.330 63.200 0.035 0.000 0.694 690 S HN 0.413 nan 8.310 nan 0.000 0.502 691 A N 3.530 126.374 122.820 0.040 0.000 2.407 691 A HA 0.664 4.984 4.320 -0.000 0.000 0.257 691 A C 1.188 178.808 177.584 0.059 0.000 1.131 691 A CA 0.357 52.421 52.037 0.045 0.000 0.803 691 A CB -0.602 18.425 19.000 0.044 0.000 1.083 691 A HN 2.186 nan 8.150 nan 0.000 0.512 692 G N -1.539 107.301 108.800 0.066 0.000 2.331 692 G HA2 0.286 4.246 3.960 -0.000 0.000 0.402 692 G HA3 0.286 4.246 3.960 -0.000 0.000 0.402 692 G C -1.116 173.832 174.900 0.080 0.000 1.275 692 G CA -0.396 44.760 45.100 0.094 0.000 1.003 692 G HN 0.913 nan 8.290 nan 0.000 0.500 693 Q N -0.492 119.384 119.800 0.126 0.000 2.333 693 Q HA 0.582 4.922 4.340 -0.000 0.000 0.265 693 Q C -0.709 175.374 176.000 0.138 0.000 0.989 693 Q CA -0.897 54.951 55.803 0.075 0.000 0.842 693 Q CB 2.342 31.138 28.738 0.096 0.000 1.262 693 Q HN 0.478 nan 8.270 nan 0.000 0.451 694 L N 3.478 124.701 121.223 -0.001 0.000 2.281 694 L HA 0.373 4.713 4.340 -0.000 0.000 0.285 694 L C -1.515 175.350 176.870 -0.008 0.000 1.074 694 L CA 0.187 55.059 54.840 0.053 0.000 0.817 694 L CB 0.129 42.195 42.059 0.011 0.000 1.168 694 L HN 0.607 nan 8.230 nan 0.000 0.434 695 W N 5.573 126.943 121.300 0.116 0.000 2.739 695 W HA 0.501 5.161 4.660 -0.000 0.000 0.331 695 W C -0.907 175.724 176.519 0.187 0.000 1.049 695 W CA -0.733 56.702 57.345 0.151 0.000 1.234 695 W CB 1.664 31.236 29.460 0.187 0.000 1.404 695 W HN 0.241 nan 8.180 nan 0.000 0.477 696 L N 3.674 125.193 121.223 0.494 0.000 2.282 696 L HA 0.734 5.074 4.340 -0.000 0.000 0.288 696 L C -0.312 176.877 176.870 0.531 0.000 1.033 696 L CA 0.140 55.266 54.840 0.476 0.000 0.807 696 L CB 0.985 43.310 42.059 0.444 0.000 1.209 696 L HN 0.332 nan 8.230 nan 0.000 0.423 697 T N 4.943 119.749 114.554 0.419 0.000 2.861 697 T HA 0.746 5.096 4.350 -0.000 0.000 0.287 697 T C -0.849 174.038 174.700 0.312 0.000 1.003 697 T CA -0.475 61.815 62.100 0.317 0.000 0.977 697 T CB 1.708 70.694 68.868 0.198 0.000 0.996 697 T HN 0.522 nan 8.240 nan 0.000 0.448 698 V N 1.404 121.460 119.914 0.236 0.000 2.914 698 V HA 0.914 5.034 4.120 -0.000 0.000 0.314 698 V C -0.963 175.219 176.094 0.147 0.000 1.084 698 V CA -1.487 60.931 62.300 0.197 0.000 0.963 698 V CB 1.943 33.834 31.823 0.113 0.000 1.025 698 V HN 0.972 nan 8.190 nan 0.000 0.432 699 R N 1.525 122.143 120.500 0.198 0.000 2.626 699 R HA 0.832 5.172 4.340 -0.000 0.000 0.274 699 R C -1.855 174.601 176.300 0.260 0.000 1.031 699 R CA -0.796 55.455 56.100 0.250 0.000 0.898 699 R CB 2.141 32.573 30.300 0.220 0.000 1.222 699 R HN 0.469 nan 8.270 nan 0.000 0.455 700 V N 2.654 122.737 119.914 0.281 0.000 2.427 700 V HA 0.460 4.580 4.120 -0.000 0.000 0.286 700 V C -0.390 175.850 176.094 0.243 0.000 1.034 700 V CA -0.623 61.809 62.300 0.220 0.000 0.893 700 V CB 1.776 33.681 31.823 0.136 0.000 0.982 700 V HN 0.564 nan 8.190 nan 0.000 0.452 701 V N 4.692 124.736 119.914 0.217 0.000 2.540 701 V HA 0.419 4.539 4.120 -0.000 0.000 0.302 701 V C -0.252 175.949 176.094 0.179 0.000 1.035 701 V CA -0.779 61.657 62.300 0.227 0.000 0.873 701 V CB 1.713 33.708 31.823 0.288 0.000 0.992 701 V HN 0.870 nan 8.190 nan 0.000 0.428 702 Q N 5.165 125.088 119.800 0.204 0.000 2.490 702 Q HA 0.241 4.580 4.340 -0.000 0.000 0.226 702 Q C -1.635 174.426 176.000 0.103 0.000 1.132 702 Q CA -1.807 54.089 55.803 0.154 0.000 0.928 702 Q CB 1.384 30.230 28.738 0.180 0.000 1.299 702 Q HN 0.538 nan 8.270 nan 0.000 0.528 703 P HA -0.173 nan 4.420 nan 0.000 0.223 703 P C -0.634 176.685 177.300 0.031 0.000 1.144 703 P CA 1.186 64.323 63.100 0.062 0.000 0.783 703 P CB 0.357 32.087 31.700 0.051 0.000 0.771 704 N N -1.007 117.698 118.700 0.008 0.000 2.284 704 N HA 0.483 5.223 4.740 -0.000 0.000 0.300 704 N C -0.545 174.920 175.510 -0.075 0.000 1.047 704 N CA -0.664 52.371 53.050 -0.025 0.000 0.821 704 N CB 1.415 39.885 38.487 -0.029 0.000 1.337 704 N HN -0.113 nan 8.380 nan 0.000 0.482 705 A N 0.801 123.573 122.820 -0.079 0.000 2.366 705 A HA 0.545 4.865 4.320 -0.000 0.000 0.250 705 A C 0.679 178.127 177.584 -0.226 0.000 1.099 705 A CA 0.169 52.122 52.037 -0.141 0.000 0.794 705 A CB 0.055 19.003 19.000 -0.086 0.000 1.056 705 A HN 0.709 nan 8.150 nan 0.000 0.499 706 T N -3.951 110.378 114.554 -0.375 0.000 2.626 706 T HA 0.602 4.952 4.350 -0.000 0.000 0.279 706 T C 0.777 175.256 174.700 -0.368 0.000 0.983 706 T CA 0.231 62.050 62.100 -0.469 0.000 1.059 706 T CB 0.841 69.134 68.868 -0.959 0.000 1.396 706 T HN 1.459 nan 8.240 nan 0.000 0.519 707 A N -0.270 122.369 122.820 -0.301 0.000 2.206 707 A HA 0.247 4.567 4.320 -0.000 0.000 0.211 707 A C 1.321 179.035 177.584 0.217 0.000 1.158 707 A CA 0.574 52.634 52.037 0.037 0.000 0.761 707 A CB -0.785 18.337 19.000 0.203 0.000 0.801 707 A HN 0.871 nan 8.150 nan 0.000 0.473 708 W N -1.031 120.334 121.300 0.109 0.000 2.007 708 W HA 0.448 5.108 4.660 -0.000 0.000 0.301 708 W C -0.326 176.195 176.519 0.004 0.000 0.887 708 W CA 0.283 57.658 57.345 0.050 0.000 1.625 708 W CB -1.020 28.456 29.460 0.026 0.000 1.078 708 W HN 0.436 nan 8.180 nan 0.000 0.502 709 S N 0.103 115.619 115.700 -0.308 0.000 2.537 709 S HA 0.412 4.882 4.470 -0.000 0.000 0.271 709 S C -0.847 173.632 174.600 -0.201 0.000 1.148 709 S CA -0.676 57.367 58.200 -0.261 0.000 0.868 709 S CB 2.547 65.294 63.200 -0.756 0.000 1.115 709 S HN 0.160 nan 8.310 nan 0.000 0.461 710 E N 1.111 121.310 120.200 -0.002 0.000 2.312 710 E HA 0.605 4.955 4.350 -0.000 0.000 0.259 710 E C 0.378 176.998 176.600 0.033 0.000 1.122 710 E CA -1.001 55.410 56.400 0.019 0.000 0.922 710 E CB 0.994 30.735 29.700 0.069 0.000 1.109 710 E HN 0.892 nan 8.360 nan 0.000 0.442 711 A N 0.260 123.094 122.820 0.023 0.000 2.425 711 A HA 0.409 4.729 4.320 -0.000 0.000 0.242 711 A C 1.173 178.805 177.584 0.080 0.000 1.077 711 A CA 0.618 52.678 52.037 0.038 0.000 0.781 711 A CB -0.438 18.577 19.000 0.024 0.000 1.020 711 A HN 0.838 nan 8.150 nan 0.000 0.494 712 G N -0.349 108.511 108.800 0.101 0.000 2.179 712 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.260 712 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.260 712 G C 0.403 175.384 174.900 0.135 0.000 0.977 712 G CA 0.518 45.682 45.100 0.107 0.000 0.641 712 G HN 1.451 nan 8.290 nan 0.000 0.533 713 H N 0.695 119.816 119.070 0.084 0.000 3.038 713 H HA 0.210 4.766 4.556 -0.000 0.000 0.338 713 H C -0.049 175.386 175.328 0.178 0.000 1.041 713 H CA 0.492 56.618 56.048 0.131 0.000 1.394 713 H CB 0.270 30.113 29.762 0.135 0.000 1.357 713 H HN 0.092 nan 8.280 nan 0.000 0.600 714 I N 4.789 125.170 120.570 -0.316 0.000 2.339 714 I HA -0.045 4.125 4.170 -0.000 0.000 0.290 714 I C 1.495 177.685 176.117 0.123 0.000 0.994 714 I CA -0.253 61.056 61.300 0.015 0.000 1.191 714 I CB 1.199 39.227 38.000 0.045 0.000 1.343 714 I HN 0.666 nan 8.210 nan 0.000 0.458 715 S N 4.650 120.591 115.700 0.401 0.000 2.510 715 S HA 0.479 4.949 4.470 -0.000 0.000 0.230 715 S C 0.728 175.585 174.600 0.428 0.000 1.066 715 S CA 0.271 58.782 58.200 0.519 0.000 0.941 715 S CB 0.500 64.067 63.200 0.611 0.000 0.829 715 S HN 0.664 nan 8.310 nan 0.000 0.530 716 A N 0.464 123.548 122.820 0.439 0.000 2.479 716 A HA 0.762 5.082 4.320 -0.000 0.000 0.296 716 A C -1.681 176.176 177.584 0.456 0.000 1.121 716 A CA -0.901 51.342 52.037 0.343 0.000 0.743 716 A CB 0.937 20.240 19.000 0.505 0.000 1.323 716 A HN 0.972 nan 8.150 nan 0.000 0.415 717 W N -0.279 121.182 121.300 0.269 0.000 3.363 717 W HA 0.724 5.384 4.660 -0.000 0.000 0.306 717 W C -1.441 175.099 176.519 0.035 0.000 1.253 717 W CA -0.532 56.864 57.345 0.085 0.000 1.195 717 W CB 1.127 30.600 29.460 0.022 0.000 1.366 717 W HN 0.856 nan 8.180 nan 0.000 0.551 718 Q N 2.398 122.187 119.800 -0.019 0.000 2.353 718 Q HA 0.437 4.777 4.340 -0.000 0.000 0.275 718 Q C -1.300 174.437 176.000 -0.438 0.000 1.029 718 Q CA -0.572 55.043 55.803 -0.313 0.000 0.848 718 Q CB 2.402 30.789 28.738 -0.585 0.000 1.390 718 Q HN 0.637 nan 8.270 nan 0.000 0.401 719 Q N 2.112 121.624 119.800 -0.481 0.000 2.423 719 Q HA 0.733 5.073 4.340 -0.000 0.000 0.278 719 Q C -1.166 174.716 176.000 -0.197 0.000 1.097 719 Q CA -0.754 54.956 55.803 -0.156 0.000 0.809 719 Q CB 2.229 31.089 28.738 0.203 0.000 1.391 719 Q HN 0.602 nan 8.270 nan 0.000 0.428 720 W N 1.127 122.639 121.300 0.353 0.000 3.032 720 W HA 0.460 5.120 4.660 -0.000 0.000 0.335 720 W C -0.644 175.844 176.519 -0.052 0.000 1.154 720 W CA -0.812 56.636 57.345 0.172 0.000 1.204 720 W CB 2.346 31.851 29.460 0.075 0.000 1.416 720 W HN 0.702 nan 8.180 nan 0.000 0.521 721 R N 2.448 122.776 120.500 -0.288 0.000 2.198 721 R HA 0.313 4.653 4.340 -0.000 0.000 0.339 721 R C 0.791 176.848 176.300 -0.405 0.000 1.020 721 R CA -0.212 55.315 56.100 -0.954 0.000 0.864 721 R CB 0.656 30.052 30.300 -1.507 0.000 1.105 721 R HN 0.616 nan 8.270 nan 0.000 0.463 722 L N 2.699 123.761 121.223 -0.269 0.000 1.988 722 L HA 0.079 4.419 4.340 -0.000 0.000 0.207 722 L C 0.923 177.712 176.870 -0.135 0.000 1.071 722 L CA 1.568 56.331 54.840 -0.129 0.000 0.744 722 L CB -0.195 41.837 42.059 -0.045 0.000 0.893 722 L HN 0.753 nan 8.230 nan 0.000 0.433 723 A N -0.707 122.018 122.820 -0.157 0.000 2.524 723 A HA 0.614 4.934 4.320 -0.000 0.000 0.303 723 A C -1.509 176.005 177.584 -0.116 0.000 1.195 723 A CA -0.348 51.623 52.037 -0.111 0.000 0.651 723 A CB 1.621 20.587 19.000 -0.058 0.000 1.323 723 A HN 0.163 nan 8.150 nan 0.000 0.479 724 E N 0.503 120.663 120.200 -0.067 0.000 2.481 724 E HA 0.381 4.731 4.350 -0.000 0.000 0.301 724 E C -2.041 174.552 176.600 -0.013 0.000 0.948 724 E CA -0.751 55.622 56.400 -0.045 0.000 0.804 724 E CB 1.093 30.754 29.700 -0.065 0.000 1.265 724 E HN 0.419 nan 8.360 nan 0.000 0.406 725 N N 4.224 122.929 118.700 0.008 0.000 2.437 725 N HA 0.333 5.073 4.740 -0.000 0.000 0.259 725 N C -0.652 174.874 175.510 0.027 0.000 0.983 725 N CA -0.349 52.712 53.050 0.017 0.000 0.937 725 N CB 1.191 39.692 38.487 0.024 0.000 1.122 725 N HN 0.499 nan 8.380 nan 0.000 0.499 726 L N 0.802 122.039 121.223 0.024 0.000 2.380 726 L HA 0.200 4.540 4.340 -0.000 0.000 0.273 726 L C 1.094 177.985 176.870 0.035 0.000 1.138 726 L CA -0.194 54.665 54.840 0.032 0.000 0.832 726 L CB 0.852 42.927 42.059 0.027 0.000 1.124 726 L HN 0.377 nan 8.230 nan 0.000 0.454 727 S N 1.711 117.437 115.700 0.044 0.000 2.489 727 S HA 0.315 4.785 4.470 -0.000 0.000 0.277 727 S C 0.387 175.010 174.600 0.038 0.000 1.230 727 S CA -0.844 57.382 58.200 0.043 0.000 1.053 727 S CB 0.865 64.095 63.200 0.050 0.000 0.955 727 S HN 0.402 nan 8.310 nan 0.000 0.488 728 V N 3.003 122.937 119.914 0.032 0.000 3.043 728 V HA 0.285 4.405 4.120 -0.000 0.000 0.357 728 V C 0.848 176.958 176.094 0.027 0.000 1.372 728 V CA -0.351 61.966 62.300 0.028 0.000 1.214 728 V CB -0.855 30.982 31.823 0.023 0.000 1.224 728 V HN 0.877 nan 8.190 nan 0.000 0.507 729 T N 0.344 114.916 114.554 0.031 0.000 2.806 729 T HA 0.654 5.004 4.350 -0.000 0.000 0.290 729 T C -0.358 174.358 174.700 0.027 0.000 0.966 729 T CA -0.399 61.718 62.100 0.028 0.000 1.060 729 T CB 1.151 70.036 68.868 0.028 0.000 0.927 729 T HN 0.287 nan 8.240 nan 0.000 0.485 730 L N 6.092 127.328 121.223 0.021 0.000 2.278 730 L HA 0.377 4.717 4.340 -0.000 0.000 0.287 730 L C -1.354 175.525 176.870 0.015 0.000 1.072 730 L CA -1.908 52.942 54.840 0.017 0.000 0.819 730 L CB 0.045 42.112 42.059 0.013 0.000 1.176 730 L HN 0.619 nan 8.230 nan 0.000 0.435 731 P HA 0.059 nan 4.420 nan 0.000 0.267 731 P C -0.215 177.084 177.300 -0.002 0.000 1.201 731 P CA -0.399 62.708 63.100 0.012 0.000 0.775 731 P CB 0.609 32.316 31.700 0.012 0.000 0.854 732 A N 1.753 124.569 122.820 -0.007 0.000 2.466 732 A HA 0.441 4.761 4.320 -0.000 0.000 0.238 732 A C 0.663 178.214 177.584 -0.055 0.000 1.074 732 A CA 0.153 52.175 52.037 -0.025 0.000 0.774 732 A CB -0.457 18.529 19.000 -0.024 0.000 1.015 732 A HN 0.761 nan 8.150 nan 0.000 0.498 733 A N 1.552 124.324 122.820 -0.081 0.000 2.340 733 A HA 0.578 4.898 4.320 -0.000 0.000 0.268 733 A C 0.814 178.242 177.584 -0.259 0.000 1.100 733 A CA 0.205 52.170 52.037 -0.119 0.000 0.803 733 A CB -0.075 18.875 19.000 -0.083 0.000 1.043 733 A HN 1.753 nan 8.150 nan 0.000 0.488 734 S N 0.637 116.199 115.700 -0.230 0.000 2.672 734 S HA 0.530 5.000 4.470 -0.000 0.000 0.276 734 S C -0.085 174.304 174.600 -0.351 0.000 1.207 734 S CA -0.609 57.413 58.200 -0.296 0.000 1.002 734 S CB 0.568 63.700 63.200 -0.113 0.000 0.998 734 S HN 0.668 nan 8.310 nan 0.000 0.542 735 H N 0.205 119.282 119.070 0.011 0.000 2.510 735 H HA 0.698 5.254 4.556 -0.000 0.000 0.266 735 H C 0.326 175.658 175.328 0.006 0.000 1.146 735 H CA 0.342 56.394 56.048 0.007 0.000 0.993 735 H CB -0.034 29.732 29.762 0.005 0.000 1.727 735 H HN 0.900 nan 8.280 nan 0.000 0.590 736 A N 0.986 123.851 122.820 0.075 0.000 2.437 736 A HA 0.492 4.812 4.320 -0.000 0.000 0.296 736 A C -1.586 176.017 177.584 0.032 0.000 0.974 736 A CA -0.598 51.472 52.037 0.054 0.000 0.592 736 A CB 0.588 19.627 19.000 0.064 0.000 1.405 736 A HN 0.252 nan 8.150 nan 0.000 0.478 737 I N -1.723 118.869 120.570 0.036 0.000 2.775 737 I HA 0.750 4.920 4.170 -0.000 0.000 0.295 737 I C -2.835 173.317 176.117 0.058 0.000 1.287 737 I CA -2.225 59.095 61.300 0.034 0.000 1.029 737 I CB 2.414 40.423 38.000 0.016 0.000 1.282 737 I HN 0.530 nan 8.210 nan 0.000 0.426 738 P HA -0.067 nan 4.420 nan 0.000 0.267 738 P C -1.125 176.254 177.300 0.132 0.000 1.195 738 P CA 0.489 63.651 63.100 0.105 0.000 0.773 738 P CB 0.238 31.976 31.700 0.063 0.000 0.837 739 H N 2.094 121.188 119.070 0.040 0.000 2.597 739 H HA 0.334 4.890 4.556 -0.000 0.000 0.303 739 H C -0.656 174.681 175.328 0.015 0.000 1.057 739 H CA -1.082 54.977 56.048 0.018 0.000 1.261 739 H CB 0.680 30.453 29.762 0.018 0.000 1.397 739 H HN 0.219 nan 8.280 nan 0.000 0.461 740 L N 5.599 126.685 121.223 -0.228 0.000 2.281 740 L HA 0.269 4.609 4.340 -0.000 0.000 0.285 740 L C -0.694 175.906 176.870 -0.451 0.000 1.074 740 L CA 0.276 54.938 54.840 -0.296 0.000 0.817 740 L CB 1.284 43.200 42.059 -0.239 0.000 1.168 740 L HN 0.525 nan 8.230 nan 0.000 0.434 741 T N 3.590 117.951 114.554 -0.321 0.000 2.861 741 T HA 0.596 4.946 4.350 -0.000 0.000 0.287 741 T C -0.471 174.224 174.700 -0.009 0.000 1.003 741 T CA -0.424 61.540 62.100 -0.226 0.000 0.977 741 T CB 1.452 70.186 68.868 -0.224 0.000 0.996 741 T HN 0.716 nan 8.240 nan 0.000 0.448 742 T N 1.694 116.271 114.554 0.038 0.000 2.950 742 T HA 0.819 5.169 4.350 -0.000 0.000 0.288 742 T C -0.081 174.694 174.700 0.124 0.000 1.035 742 T CA -0.736 61.481 62.100 0.194 0.000 1.028 742 T CB 1.794 70.807 68.868 0.242 0.000 1.109 742 T HN 0.583 nan 8.240 nan 0.000 0.514 743 S N -0.796 114.985 115.700 0.135 0.000 2.929 743 S HA 0.375 4.845 4.470 -0.000 0.000 0.311 743 S C -0.508 174.106 174.600 0.022 0.000 1.213 743 S CA -0.625 57.611 58.200 0.059 0.000 0.908 743 S CB 1.265 64.490 63.200 0.041 0.000 1.287 743 S HN 0.665 nan 8.310 nan 0.000 0.594 744 E N 0.031 120.227 120.200 -0.007 0.000 2.489 744 E HA 0.283 4.633 4.350 -0.000 0.000 0.204 744 E C 0.442 177.003 176.600 -0.065 0.000 1.006 744 E CA 0.036 56.417 56.400 -0.032 0.000 0.936 744 E CB 0.346 30.036 29.700 -0.016 0.000 1.002 744 E HN 0.504 nan 8.360 nan 0.000 0.488 745 M N 0.777 120.341 119.600 -0.061 0.000 2.279 745 M HA 0.117 4.597 4.480 -0.000 0.000 0.306 745 M C -0.898 175.348 176.300 -0.090 0.000 0.965 745 M CA 0.397 55.657 55.300 -0.067 0.000 1.038 745 M CB 0.620 33.204 32.600 -0.026 0.000 1.636 745 M HN -0.037 nan 8.290 nan 0.000 0.574 746 D N -0.923 119.411 120.400 -0.111 0.000 2.755 746 D HA 0.389 5.029 4.640 -0.000 0.000 0.277 746 D C -1.330 174.942 176.300 -0.047 0.000 1.261 746 D CA -0.514 53.424 54.000 -0.102 0.000 0.759 746 D CB 0.674 41.494 40.800 0.033 0.000 1.279 746 D HN -0.263 nan 8.370 nan 0.000 0.420 747 F N -0.303 119.709 119.950 0.104 0.000 2.480 747 F HA 0.671 5.198 4.527 -0.000 0.000 0.329 747 F C 0.096 175.971 175.800 0.125 0.000 1.091 747 F CA -1.505 56.534 58.000 0.066 0.000 0.972 747 F CB 1.911 40.919 39.000 0.012 0.000 1.150 747 F HN 0.567 nan 8.300 nan 0.000 0.467 748 C N 4.353 123.820 119.300 0.279 0.000 2.614 748 C HA 0.796 5.256 4.460 -0.000 0.000 0.320 748 C C -0.872 174.212 174.990 0.155 0.000 1.200 748 C CA -0.610 58.538 59.018 0.216 0.000 1.700 748 C CB 1.223 29.026 27.740 0.105 0.000 2.275 748 C HN 0.517 nan 8.230 nan 0.000 0.492 749 I N 3.142 123.862 120.570 0.249 0.000 2.534 749 I HA 0.465 4.635 4.170 -0.000 0.000 0.288 749 I C -0.485 175.837 176.117 0.341 0.000 1.077 749 I CA -0.237 61.214 61.300 0.253 0.000 1.051 749 I CB 1.558 39.743 38.000 0.309 0.000 1.234 749 I HN 0.677 nan 8.210 nan 0.000 0.425 750 E N 4.915 125.256 120.200 0.235 0.000 2.277 750 E HA 0.804 5.154 4.350 -0.000 0.000 0.266 750 E C -1.728 175.018 176.600 0.243 0.000 0.901 750 E CA -0.724 55.798 56.400 0.203 0.000 0.782 750 E CB 3.032 32.814 29.700 0.136 0.000 1.228 750 E HN 0.515 nan 8.360 nan 0.000 0.424 751 L N 3.791 125.131 121.223 0.194 0.000 2.830 751 L HA 0.501 4.841 4.340 -0.000 0.000 0.259 751 L C 0.061 176.983 176.870 0.086 0.000 0.943 751 L CA 0.585 55.531 54.840 0.176 0.000 0.997 751 L CB 0.997 43.224 42.059 0.281 0.000 1.427 751 L HN 0.720 nan 8.230 nan 0.000 0.456 752 G N 4.407 113.238 108.800 0.053 0.000 2.634 752 G HA2 -0.448 3.512 3.960 -0.000 0.000 0.309 752 G HA3 -0.448 3.512 3.960 -0.000 0.000 0.309 752 G C 0.628 175.514 174.900 -0.023 0.000 1.265 752 G CA 0.766 45.875 45.100 0.014 0.000 0.998 752 G HN 1.388 nan 8.290 nan 0.000 0.551 753 N N 1.272 119.944 118.700 -0.047 0.000 2.515 753 N HA 0.044 4.784 4.740 -0.000 0.000 0.185 753 N C 0.576 176.010 175.510 -0.128 0.000 1.109 753 N CA 1.234 54.238 53.050 -0.077 0.000 0.903 753 N CB 0.053 38.499 38.487 -0.068 0.000 0.969 753 N HN 0.752 nan 8.380 nan 0.000 0.450 754 K N 0.398 120.697 120.400 -0.169 0.000 2.138 754 K HA 0.479 4.799 4.320 -0.000 0.000 0.263 754 K C -0.344 176.007 176.600 -0.414 0.000 0.965 754 K CA -0.509 55.553 56.287 -0.375 0.000 0.868 754 K CB 1.671 33.871 32.500 -0.499 0.000 1.083 754 K HN 0.024 nan 8.250 nan 0.000 0.443 755 R N 1.762 121.944 120.500 -0.531 0.000 2.584 755 R HA 0.359 4.699 4.340 -0.000 0.000 0.276 755 R C -1.389 174.824 176.300 -0.146 0.000 1.046 755 R CA -0.817 55.162 56.100 -0.200 0.000 0.906 755 R CB 1.755 32.000 30.300 -0.092 0.000 1.215 755 R HN 0.566 nan 8.270 nan 0.000 0.449 756 W N 3.031 124.441 121.300 0.182 0.000 2.619 756 W HA 0.313 4.973 4.660 -0.000 0.000 0.327 756 W C -0.388 176.248 176.519 0.194 0.000 1.027 756 W CA -0.556 56.869 57.345 0.132 0.000 1.233 756 W CB 2.126 31.647 29.460 0.102 0.000 1.370 756 W HN 0.404 nan 8.180 nan 0.000 0.453 757 Q N 2.852 122.844 119.800 0.319 0.000 2.293 757 Q HA 0.410 4.750 4.340 -0.000 0.000 0.261 757 Q C -1.752 174.292 176.000 0.074 0.000 0.960 757 Q CA -0.469 55.504 55.803 0.283 0.000 0.882 757 Q CB 1.260 30.183 28.738 0.308 0.000 1.275 757 Q HN 0.353 nan 8.270 nan 0.000 0.445 758 F N 3.343 123.357 119.950 0.107 0.000 2.332 758 F HA 0.259 4.786 4.527 -0.000 0.000 0.368 758 F C 0.677 176.448 175.800 -0.047 0.000 1.110 758 F CA -0.767 57.250 58.000 0.028 0.000 1.087 758 F CB 1.050 40.070 39.000 0.034 0.000 1.235 758 F HN 0.523 nan 8.300 nan 0.000 0.470 759 N N 3.830 122.573 118.700 0.073 0.000 2.411 759 N HA -0.016 4.724 4.740 -0.000 0.000 0.265 759 N C 1.306 176.764 175.510 -0.087 0.000 1.266 759 N CA 0.260 53.307 53.050 -0.005 0.000 0.889 759 N CB 0.598 39.091 38.487 0.011 0.000 1.069 759 N HN 0.711 nan 8.380 nan 0.000 0.476 760 R N 2.604 122.995 120.500 -0.181 0.000 2.148 760 R HA -0.146 4.194 4.340 -0.000 0.000 0.227 760 R C 1.525 177.706 176.300 -0.198 0.000 1.103 760 R CA 1.608 57.540 56.100 -0.280 0.000 0.983 760 R CB 0.247 30.318 30.300 -0.382 0.000 0.874 760 R HN 0.687 nan 8.270 nan 0.000 0.451 761 Q N -0.879 118.836 119.800 -0.142 0.000 2.107 761 Q HA -0.050 4.290 4.340 -0.000 0.000 0.195 761 Q C 2.190 178.091 176.000 -0.165 0.000 0.964 761 Q CA 1.440 57.165 55.803 -0.130 0.000 0.833 761 Q CB -0.016 28.671 28.738 -0.084 0.000 0.910 761 Q HN 0.226 nan 8.270 nan 0.000 0.465 762 S N -0.149 115.462 115.700 -0.148 0.000 2.353 762 S HA -0.130 4.340 4.470 -0.000 0.000 0.222 762 S C 1.756 176.061 174.600 -0.491 0.000 1.035 762 S CA 1.602 59.670 58.200 -0.220 0.000 1.025 762 S CB -0.673 62.491 63.200 -0.060 0.000 0.902 762 S HN 0.638 nan 8.310 nan 0.000 0.440 763 G N -0.399 108.201 108.800 -0.335 0.000 2.175 763 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.244 763 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.244 763 G C -0.076 174.794 174.900 -0.050 0.000 0.982 763 G CA 0.228 45.166 45.100 -0.271 0.000 0.641 763 G HN 0.505 nan 8.290 nan 0.000 0.527 764 F N -0.408 119.689 119.950 0.246 0.000 2.450 764 F HA 0.729 5.256 4.527 -0.000 0.000 0.328 764 F C 0.582 176.344 175.800 -0.063 0.000 1.068 764 F CA -2.071 56.031 58.000 0.170 0.000 1.007 764 F CB 1.042 40.117 39.000 0.124 0.000 1.251 764 F HN 0.028 nan 8.300 nan 0.000 0.492 765 L N 1.385 122.574 121.223 -0.057 0.000 2.565 765 L HA 0.164 4.504 4.340 -0.000 0.000 0.275 765 L C 0.884 177.649 176.870 -0.175 0.000 1.137 765 L CA 0.780 55.285 54.840 -0.558 0.000 0.915 765 L CB 0.036 41.717 42.059 -0.630 0.000 1.232 765 L HN 0.632 nan 8.230 nan 0.000 0.473 766 S N 2.387 118.001 115.700 -0.143 0.000 2.414 766 S HA 0.051 4.521 4.470 -0.000 0.000 0.227 766 S C 0.396 174.920 174.600 -0.127 0.000 1.022 766 S CA 0.704 58.870 58.200 -0.057 0.000 0.958 766 S CB -0.058 63.135 63.200 -0.011 0.000 0.797 766 S HN 0.774 nan 8.310 nan 0.000 0.493 767 Q N -0.642 119.046 119.800 -0.187 0.000 2.647 767 Q HA 0.596 4.936 4.340 -0.000 0.000 0.283 767 Q C -1.481 174.301 176.000 -0.363 0.000 0.943 767 Q CA -0.457 55.143 55.803 -0.338 0.000 0.813 767 Q CB 1.126 29.568 28.738 -0.493 0.000 1.477 767 Q HN 0.226 nan 8.270 nan 0.000 0.393 768 M N 1.459 120.733 119.600 -0.545 0.000 2.550 768 M HA 0.784 5.264 4.480 -0.000 0.000 0.292 768 M C -1.913 174.077 176.300 -0.516 0.000 1.221 768 M CA -0.266 54.775 55.300 -0.431 0.000 0.873 768 M CB 1.824 34.187 32.600 -0.394 0.000 1.727 768 M HN 0.631 nan 8.290 nan 0.000 0.459 769 W N 4.288 125.372 121.300 -0.359 0.000 2.915 769 W HA 0.563 5.223 4.660 -0.000 0.000 0.337 769 W C -1.670 174.646 176.519 -0.338 0.000 1.102 769 W CA -0.680 56.498 57.345 -0.278 0.000 1.224 769 W CB 1.925 31.254 29.460 -0.219 0.000 1.416 769 W HN 0.524 nan 8.180 nan 0.000 0.503 770 I N 3.442 124.001 120.570 -0.018 0.000 2.537 770 I HA 0.398 4.568 4.170 -0.000 0.000 0.276 770 I C 0.740 176.838 176.117 -0.032 0.000 1.063 770 I CA 0.186 61.429 61.300 -0.096 0.000 1.144 770 I CB 0.879 38.788 38.000 -0.152 0.000 1.252 770 I HN 0.711 nan 8.210 nan 0.000 0.480 771 G N 5.413 114.193 108.800 -0.033 0.000 2.588 771 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.273 771 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.273 771 G C 0.248 175.165 174.900 0.028 0.000 1.211 771 G CA 0.560 45.646 45.100 -0.023 0.000 0.958 771 G HN 0.639 nan 8.290 nan 0.000 0.543 772 D N 0.880 121.316 120.400 0.060 0.000 2.398 772 D HA 0.279 4.919 4.640 -0.000 0.000 0.210 772 D C 0.823 177.265 176.300 0.237 0.000 1.094 772 D CA 0.209 54.285 54.000 0.128 0.000 0.839 772 D CB 0.258 41.087 40.800 0.047 0.000 0.963 772 D HN 0.524 nan 8.370 nan 0.000 0.506 773 K N 1.433 121.914 120.400 0.136 0.000 2.316 773 K HA 0.193 4.513 4.320 -0.000 0.000 0.289 773 K C -0.054 176.512 176.600 -0.056 0.000 1.070 773 K CA -0.311 56.001 56.287 0.041 0.000 0.928 773 K CB 0.909 33.398 32.500 -0.018 0.000 1.039 773 K HN -0.053 nan 8.250 nan 0.000 0.480 774 K N 3.136 123.405 120.400 -0.218 0.000 2.379 774 K HA -0.002 4.318 4.320 -0.000 0.000 0.284 774 K C 0.773 177.162 176.600 -0.352 0.000 1.044 774 K CA -0.365 55.577 56.287 -0.576 0.000 0.974 774 K CB 0.933 33.125 32.500 -0.512 0.000 0.962 774 K HN 0.431 nan 8.250 nan 0.000 0.474 775 Q N 1.436 121.021 119.800 -0.359 0.000 2.123 775 Q HA 0.072 4.412 4.340 -0.000 0.000 0.196 775 Q C 0.820 176.739 176.000 -0.134 0.000 0.958 775 Q CA 1.085 56.800 55.803 -0.147 0.000 0.841 775 Q CB 0.020 28.741 28.738 -0.030 0.000 0.915 775 Q HN 0.538 nan 8.270 nan 0.000 0.455 776 L N -0.505 120.592 121.223 -0.210 0.000 2.358 776 L HA 0.365 4.705 4.340 -0.000 0.000 0.268 776 L C 1.214 177.966 176.870 -0.197 0.000 1.032 776 L CA -0.479 54.258 54.840 -0.171 0.000 0.805 776 L CB 0.863 42.839 42.059 -0.138 0.000 1.253 776 L HN -0.079 nan 8.230 nan 0.000 0.452 777 L N -0.368 120.735 121.223 -0.199 0.000 2.609 777 L HA 0.247 4.587 4.340 -0.000 0.000 0.230 777 L C -0.064 176.705 176.870 -0.169 0.000 1.064 777 L CA 0.638 55.363 54.840 -0.193 0.000 0.873 777 L CB 0.957 42.870 42.059 -0.242 0.000 1.139 777 L HN 0.707 nan 8.230 nan 0.000 0.490 778 T N 1.231 115.673 114.554 -0.187 0.000 2.991 778 T HA 0.350 4.700 4.350 -0.000 0.000 0.303 778 T C -2.625 172.033 174.700 -0.070 0.000 1.015 778 T CA -1.082 60.954 62.100 -0.107 0.000 1.007 778 T CB 2.353 71.151 68.868 -0.115 0.000 1.034 778 T HN -0.196 nan 8.240 nan 0.000 0.446 779 P HA 0.079 nan 4.420 nan 0.000 0.267 779 P C -0.342 176.939 177.300 -0.033 0.000 1.201 779 P CA -0.681 62.417 63.100 -0.002 0.000 0.775 779 P CB 0.551 32.302 31.700 0.084 0.000 0.854 780 L N 3.792 125.002 121.223 -0.022 0.000 2.407 780 L HA 0.186 4.526 4.340 -0.000 0.000 0.282 780 L C 0.516 177.237 176.870 -0.249 0.000 1.110 780 L CA 0.381 55.203 54.840 -0.030 0.000 0.863 780 L CB -0.631 41.506 42.059 0.130 0.000 1.207 780 L HN 0.363 nan 8.230 nan 0.000 0.454 781 R N 2.724 123.007 120.500 -0.361 0.000 2.795 781 R HA 0.555 4.895 4.340 -0.000 0.000 0.275 781 R C -1.053 175.015 176.300 -0.388 0.000 0.981 781 R CA -0.975 54.713 56.100 -0.687 0.000 0.917 781 R CB 0.999 30.677 30.300 -1.037 0.000 1.202 781 R HN 0.398 nan 8.270 nan 0.000 0.469 782 D N 1.679 121.880 120.400 -0.331 0.000 2.478 782 D HA -0.089 4.551 4.640 -0.000 0.000 0.234 782 D C -0.532 175.347 176.300 -0.701 0.000 1.154 782 D CA 0.824 54.528 54.000 -0.493 0.000 0.874 782 D CB 0.940 41.393 40.800 -0.578 0.000 1.198 782 D HN 0.357 nan 8.370 nan 0.000 0.455 783 Q N 0.765 119.979 119.800 -0.977 0.000 2.356 783 Q HA 0.310 4.650 4.340 -0.000 0.000 0.270 783 Q C -0.846 174.402 176.000 -1.253 0.000 1.058 783 Q CA -0.633 54.660 55.803 -0.851 0.000 0.802 783 Q CB 1.171 29.616 28.738 -0.489 0.000 1.303 783 Q HN 0.404 nan 8.270 nan 0.000 0.444 784 F N -0.096 119.451 119.950 -0.672 0.000 2.798 784 F HA 0.155 4.682 4.527 -0.000 0.000 0.328 784 F C 0.651 176.038 175.800 -0.688 0.000 1.098 784 F CA -0.220 57.307 58.000 -0.788 0.000 1.172 784 F CB 1.407 39.641 39.000 -1.277 0.000 1.072 784 F HN 0.419 nan 8.300 nan 0.000 0.555 785 T N -0.609 113.655 114.554 -0.484 0.000 2.910 785 T HA 0.812 5.162 4.350 -0.000 0.000 0.287 785 T C -0.574 173.871 174.700 -0.425 0.000 1.050 785 T CA -0.900 60.833 62.100 -0.612 0.000 1.011 785 T CB 2.787 71.195 68.868 -0.767 0.000 1.195 785 T HN 0.260 nan 8.240 nan 0.000 0.540 786 R N -0.134 120.152 120.500 -0.356 0.000 2.740 786 R HA 0.754 5.094 4.340 -0.000 0.000 0.273 786 R C -0.888 175.444 176.300 0.053 0.000 0.998 786 R CA -1.160 54.863 56.100 -0.128 0.000 0.900 786 R CB 1.484 31.735 30.300 -0.082 0.000 1.223 786 R HN 0.846 nan 8.270 nan 0.000 0.466 787 A N 3.777 126.626 122.820 0.049 0.000 2.515 787 A HA 0.288 4.608 4.320 -0.000 0.000 0.263 787 A C -1.984 175.662 177.584 0.103 0.000 1.096 787 A CA -1.284 50.783 52.037 0.051 0.000 0.769 787 A CB -0.508 18.473 19.000 -0.031 0.000 1.040 787 A HN 0.568 nan 8.150 nan 0.000 0.505 788 P HA 0.028 nan 4.420 nan 0.000 0.261 788 P C -0.108 177.315 177.300 0.205 0.000 1.173 788 P CA 0.523 63.778 63.100 0.258 0.000 0.760 788 P CB 0.331 32.204 31.700 0.289 0.000 0.783 789 L N 2.577 123.909 121.223 0.182 0.000 2.479 789 L HA 0.156 4.496 4.340 -0.000 0.000 0.249 789 L C 1.865 178.795 176.870 0.100 0.000 1.178 789 L CA -0.382 54.520 54.840 0.103 0.000 0.811 789 L CB 0.049 42.115 42.059 0.011 0.000 1.187 789 L HN 0.326 nan 8.230 nan 0.000 0.480 790 D N 0.163 120.554 120.400 -0.014 0.000 2.144 790 D HA -0.144 4.496 4.640 -0.000 0.000 0.199 790 D C 1.541 177.783 176.300 -0.097 0.000 0.984 790 D CA 1.319 55.228 54.000 -0.151 0.000 0.834 790 D CB 0.067 40.663 40.800 -0.340 0.000 0.955 790 D HN 0.452 nan 8.370 nan 0.000 0.465 791 N N 1.208 119.868 118.700 -0.068 0.000 2.443 791 N HA -0.100 4.640 4.740 -0.000 0.000 0.184 791 N C 1.032 176.569 175.510 0.044 0.000 1.037 791 N CA 0.699 53.732 53.050 -0.029 0.000 0.896 791 N CB -0.075 38.383 38.487 -0.050 0.000 0.959 791 N HN 0.340 nan 8.380 nan 0.000 0.442 792 D N -0.004 120.446 120.400 0.083 0.000 2.271 792 D HA 0.075 4.715 4.640 -0.000 0.000 0.206 792 D C 1.922 178.298 176.300 0.126 0.000 0.967 792 D CA 0.318 54.404 54.000 0.144 0.000 0.867 792 D CB 0.312 41.261 40.800 0.249 0.000 0.960 792 D HN 0.333 nan 8.370 nan 0.000 0.509 793 I N 0.651 121.284 120.570 0.105 0.000 2.400 793 I HA 0.053 4.223 4.170 -0.000 0.000 0.248 793 I C 1.931 178.093 176.117 0.076 0.000 1.109 793 I CA 0.713 62.065 61.300 0.088 0.000 1.425 793 I CB -0.438 37.608 38.000 0.075 0.000 1.094 793 I HN 0.052 nan 8.210 nan 0.000 0.425 794 G N 1.686 110.538 108.800 0.087 0.000 2.565 794 G HA2 -0.346 3.614 3.960 -0.000 0.000 0.295 794 G HA3 -0.346 3.614 3.960 -0.000 0.000 0.295 794 G C 0.643 175.730 174.900 0.311 0.000 1.165 794 G CA 0.861 46.067 45.100 0.177 0.000 0.977 794 G HN 0.576 nan 8.290 nan 0.000 0.546 795 V N -2.085 117.949 119.914 0.199 0.000 3.271 795 V HA 0.688 4.808 4.120 -0.000 0.000 0.327 795 V C 1.055 177.172 176.094 0.039 0.000 1.389 795 V CA 1.047 63.403 62.300 0.093 0.000 1.156 795 V CB 0.239 32.013 31.823 -0.082 0.000 1.103 795 V HN 0.994 nan 8.190 nan 0.000 0.453 796 S N 1.656 117.389 115.700 0.055 0.000 2.572 796 S HA 0.383 4.853 4.470 -0.000 0.000 0.279 796 S C 0.008 174.629 174.600 0.036 0.000 1.341 796 S CA 0.044 58.262 58.200 0.030 0.000 1.043 796 S CB 0.361 63.576 63.200 0.025 0.000 0.887 796 S HN 0.781 nan 8.310 nan 0.000 0.516 797 E N 0.342 120.556 120.200 0.023 0.000 2.429 797 E HA 0.428 4.778 4.350 -0.000 0.000 0.276 797 E C 0.707 177.324 176.600 0.029 0.000 0.953 797 E CA -0.651 55.766 56.400 0.029 0.000 0.787 797 E CB 1.545 31.253 29.700 0.013 0.000 1.307 797 E HN 0.548 nan 8.360 nan 0.000 0.458 798 A N 1.116 123.960 122.820 0.039 0.000 1.863 798 A HA -0.251 4.069 4.320 -0.000 0.000 0.218 798 A C 1.984 179.584 177.584 0.027 0.000 1.233 798 A CA 2.970 55.030 52.037 0.038 0.000 0.655 798 A CB -1.207 17.821 19.000 0.046 0.000 0.839 798 A HN 0.657 nan 8.150 nan 0.000 0.454 799 T N 0.099 114.666 114.554 0.023 0.000 2.569 799 T HA -0.079 4.271 4.350 -0.000 0.000 0.263 799 T C 1.066 175.769 174.700 0.005 0.000 1.074 799 T CA 1.475 63.583 62.100 0.014 0.000 1.176 799 T CB -0.239 68.635 68.868 0.010 0.000 0.863 799 T HN 0.467 nan 8.240 nan 0.000 0.410 800 R N 0.793 121.292 120.500 -0.003 0.000 2.265 800 R HA 0.461 4.801 4.340 -0.000 0.000 0.314 800 R C -1.157 175.138 176.300 -0.008 0.000 1.053 800 R CA -0.356 55.736 56.100 -0.013 0.000 0.931 800 R CB 0.499 30.780 30.300 -0.031 0.000 1.024 800 R HN 0.194 nan 8.270 nan 0.000 0.457 801 I N 1.957 122.521 120.570 -0.010 0.000 2.404 801 I HA 0.087 4.257 4.170 -0.000 0.000 0.293 801 I C -0.332 175.772 176.117 -0.023 0.000 0.992 801 I CA -0.581 60.714 61.300 -0.009 0.000 1.149 801 I CB 1.696 39.694 38.000 -0.002 0.000 1.315 801 I HN 0.448 nan 8.210 nan 0.000 0.446 802 D N 8.134 128.518 120.400 -0.025 0.000 2.473 802 D HA 0.382 5.022 4.640 -0.000 0.000 0.226 802 D C -1.978 174.287 176.300 -0.059 0.000 1.089 802 D CA -2.228 51.747 54.000 -0.041 0.000 0.883 802 D CB 1.490 42.268 40.800 -0.036 0.000 1.029 802 D HN 0.137 nan 8.370 nan 0.000 0.517 803 P HA -0.090 nan 4.420 nan 0.000 0.224 803 P C 0.428 177.646 177.300 -0.137 0.000 1.142 803 P CA 0.814 63.864 63.100 -0.084 0.000 0.778 803 P CB 0.221 31.880 31.700 -0.069 0.000 0.764 804 N N -1.121 117.488 118.700 -0.152 0.000 2.299 804 N HA 0.093 4.833 4.740 -0.000 0.000 0.187 804 N C 0.595 175.921 175.510 -0.308 0.000 1.099 804 N CA 0.002 52.909 53.050 -0.238 0.000 0.867 804 N CB 0.156 38.517 38.487 -0.209 0.000 0.974 804 N HN 0.048 nan 8.380 nan 0.000 0.477 805 A N 0.433 123.133 122.820 -0.200 0.000 2.520 805 A HA 0.010 4.330 4.320 -0.000 0.000 0.245 805 A C 0.801 178.233 177.584 -0.253 0.000 1.072 805 A CA -0.323 51.614 52.037 -0.167 0.000 0.761 805 A CB -0.079 18.891 19.000 -0.051 0.000 1.004 805 A HN 0.360 nan 8.150 nan 0.000 0.499 806 W N 2.113 123.167 121.300 -0.410 0.000 2.304 806 W HA -0.229 4.431 4.660 -0.000 0.000 0.315 806 W C 2.221 178.196 176.519 -0.906 0.000 1.233 806 W CA 1.809 58.642 57.345 -0.854 0.000 1.261 806 W CB -0.240 28.632 29.460 -0.981 0.000 1.150 806 W HN 0.594 nan 8.180 nan 0.000 0.494 807 V N 0.879 120.743 119.914 -0.083 0.000 2.282 807 V HA -0.316 3.804 4.120 -0.000 0.000 0.249 807 V C 2.242 178.450 176.094 0.189 0.000 1.057 807 V CA 2.297 64.746 62.300 0.249 0.000 1.032 807 V CB -0.461 31.548 31.823 0.310 0.000 0.645 807 V HN 0.099 nan 8.190 nan 0.000 0.447 808 E N -0.141 120.083 120.200 0.039 0.000 2.110 808 E HA -0.193 4.157 4.350 -0.000 0.000 0.193 808 E C 2.339 178.941 176.600 0.003 0.000 0.988 808 E CA 1.257 57.672 56.400 0.024 0.000 0.804 808 E CB -0.386 29.302 29.700 -0.021 0.000 0.745 808 E HN 0.628 nan 8.360 nan 0.000 0.458 809 R N -0.088 120.344 120.500 -0.114 0.000 2.088 809 R HA -0.144 4.196 4.340 -0.000 0.000 0.232 809 R C 2.344 178.643 176.300 -0.001 0.000 1.136 809 R CA 1.457 57.469 56.100 -0.146 0.000 0.926 809 R CB -0.481 29.607 30.300 -0.353 0.000 0.837 809 R HN 0.276 nan 8.270 nan 0.000 0.429 810 W N 1.645 122.925 121.300 -0.034 0.000 2.304 810 W HA -0.190 4.470 4.660 -0.000 0.000 0.315 810 W C 2.134 178.678 176.519 0.042 0.000 1.233 810 W CA 0.861 58.111 57.345 -0.159 0.000 1.261 810 W CB -0.873 28.589 29.460 0.004 0.000 1.150 810 W HN 0.201 nan 8.180 nan 0.000 0.494 811 K N -0.084 120.564 120.400 0.413 0.000 1.991 811 K HA -0.150 4.170 4.320 -0.000 0.000 0.212 811 K C 2.251 178.958 176.600 0.177 0.000 1.049 811 K CA 2.068 58.547 56.287 0.320 0.000 0.932 811 K CB -0.798 31.829 32.500 0.212 0.000 0.717 811 K HN 0.004 nan 8.250 nan 0.000 0.441 812 A N 1.002 123.899 122.820 0.128 0.000 2.084 812 A HA -0.173 4.147 4.320 -0.000 0.000 0.221 812 A C 2.149 179.791 177.584 0.097 0.000 1.161 812 A CA 1.993 54.086 52.037 0.095 0.000 0.653 812 A CB -0.595 18.440 19.000 0.058 0.000 0.802 812 A HN 0.415 nan 8.150 nan 0.000 0.457 813 A N -2.192 120.690 122.820 0.103 0.000 2.132 813 A HA 0.407 4.727 4.320 -0.000 0.000 0.213 813 A C 1.933 179.525 177.584 0.013 0.000 1.154 813 A CA 1.216 53.338 52.037 0.142 0.000 0.753 813 A CB -0.732 18.416 19.000 0.248 0.000 0.826 813 A HN 1.885 nan 8.150 nan 0.000 0.469 814 G N -1.471 107.241 108.800 -0.147 0.000 2.143 814 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.249 814 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.249 814 G C 0.657 175.518 174.900 -0.064 0.000 0.981 814 G CA 0.660 45.425 45.100 -0.559 0.000 0.665 814 G HN 0.717 nan 8.290 nan 0.000 0.528 815 H N -1.596 117.450 119.070 -0.040 0.000 2.489 815 H HA -0.089 4.467 4.556 -0.000 0.000 0.295 815 H C 1.924 177.188 175.328 -0.107 0.000 1.082 815 H CA 1.621 57.648 56.048 -0.035 0.000 1.295 815 H CB 0.174 29.864 29.762 -0.121 0.000 1.380 815 H HN 0.626 nan 8.280 nan 0.000 0.548 816 Y N 0.255 120.644 120.300 0.147 0.000 2.478 816 Y HA -0.007 4.543 4.550 -0.000 0.000 0.261 816 Y C 1.503 177.463 175.900 0.100 0.000 1.127 816 Y CA 0.335 58.492 58.100 0.096 0.000 1.288 816 Y CB 0.620 39.128 38.460 0.079 0.000 1.084 816 Y HN 0.292 nan 8.280 nan 0.000 0.530 817 Q N -0.857 119.076 119.800 0.221 0.000 2.112 817 Q HA 0.502 4.842 4.340 -0.000 0.000 0.222 817 Q C 0.199 176.354 176.000 0.259 0.000 0.798 817 Q CA -0.271 55.662 55.803 0.216 0.000 1.060 817 Q CB 0.660 29.520 28.738 0.204 0.000 1.184 817 Q HN 0.112 nan 8.270 nan 0.000 0.475 818 A N 2.063 125.044 122.820 0.269 0.000 2.371 818 A HA 0.351 4.671 4.320 -0.000 0.000 0.257 818 A C -0.164 177.671 177.584 0.419 0.000 1.089 818 A CA -0.421 51.834 52.037 0.363 0.000 0.794 818 A CB 0.298 19.535 19.000 0.395 0.000 1.029 818 A HN 0.405 nan 8.150 nan 0.000 0.488 819 E N 1.437 121.823 120.200 0.310 0.000 2.187 819 E HA 0.605 4.955 4.350 -0.000 0.000 0.268 819 E C -0.404 176.160 176.600 -0.060 0.000 0.896 819 E CA -0.857 55.657 56.400 0.189 0.000 0.766 819 E CB 1.656 31.438 29.700 0.136 0.000 1.142 819 E HN 0.668 nan 8.360 nan 0.000 0.408 820 A N 2.466 125.092 122.820 -0.324 0.000 2.440 820 A HA 0.531 4.851 4.320 -0.000 0.000 0.251 820 A C -0.200 177.181 177.584 -0.338 0.000 1.089 820 A CA 0.008 51.532 52.037 -0.855 0.000 0.779 820 A CB 0.390 18.840 19.000 -0.916 0.000 1.022 820 A HN 0.724 nan 8.150 nan 0.000 0.492 821 A N 2.292 124.924 122.820 -0.314 0.000 2.371 821 A HA 0.609 4.929 4.320 -0.000 0.000 0.311 821 A C -0.613 176.848 177.584 -0.204 0.000 1.068 821 A CA -0.584 51.347 52.037 -0.176 0.000 0.744 821 A CB 0.879 19.811 19.000 -0.114 0.000 1.239 821 A HN 1.442 nan 8.150 nan 0.000 0.435 822 L N 2.484 123.550 121.223 -0.262 0.000 2.397 822 L HA 0.472 4.812 4.340 -0.000 0.000 0.271 822 L C 0.176 176.905 176.870 -0.234 0.000 1.148 822 L CA 0.240 54.837 54.840 -0.405 0.000 0.825 822 L CB 0.427 42.211 42.059 -0.458 0.000 1.117 822 L HN 0.725 nan 8.230 nan 0.000 0.456 823 L N 2.509 123.603 121.223 -0.216 0.000 2.902 823 L HA 0.350 4.690 4.340 -0.000 0.000 0.254 823 L C -0.017 176.802 176.870 -0.084 0.000 1.115 823 L CA 0.045 54.821 54.840 -0.107 0.000 0.947 823 L CB 0.287 42.317 42.059 -0.048 0.000 1.369 823 L HN 0.739 nan 8.230 nan 0.000 0.538 824 Q N 0.320 120.056 119.800 -0.106 0.000 2.520 824 Q HA 0.141 4.481 4.340 -0.000 0.000 0.237 824 Q C -1.862 174.118 176.000 -0.034 0.000 0.875 824 Q CA -0.171 55.602 55.803 -0.049 0.000 1.028 824 Q CB 2.395 31.128 28.738 -0.008 0.000 1.534 824 Q HN 0.136 nan 8.270 nan 0.000 0.471 825 C N 4.337 123.630 119.300 -0.012 0.000 3.414 825 C HA 0.498 4.958 4.460 -0.000 0.000 0.208 825 C C 0.406 175.481 174.990 0.141 0.000 1.422 825 C CA 0.275 59.319 59.018 0.043 0.000 1.437 825 C CB -0.598 27.129 27.740 -0.021 0.000 1.850 825 C HN 0.742 nan 8.230 nan 0.000 0.481 826 T N 1.069 115.684 114.554 0.101 0.000 2.904 826 T HA 0.688 5.038 4.350 -0.000 0.000 0.290 826 T C -0.045 174.659 174.700 0.007 0.000 1.018 826 T CA -0.009 62.139 62.100 0.079 0.000 1.075 826 T CB 1.589 70.471 68.868 0.024 0.000 0.986 826 T HN 1.199 nan 8.240 nan 0.000 0.523 827 A N 2.515 125.242 122.820 -0.156 0.000 2.359 827 A HA 0.670 4.990 4.320 -0.000 0.000 0.303 827 A C -0.985 176.412 177.584 -0.312 0.000 1.066 827 A CA -0.826 50.965 52.037 -0.409 0.000 0.730 827 A CB 1.310 19.644 19.000 -1.111 0.000 1.211 827 A HN 0.881 nan 8.150 nan 0.000 0.439 828 D N 1.180 121.439 120.400 -0.235 0.000 2.879 828 D HA 0.451 5.091 4.640 -0.000 0.000 0.236 828 D C -0.907 175.307 176.300 -0.143 0.000 1.171 828 D CA 0.026 53.930 54.000 -0.161 0.000 0.868 828 D CB 2.389 43.128 40.800 -0.102 0.000 1.598 828 D HN 0.386 nan 8.370 nan 0.000 0.497 829 T N 2.080 116.566 114.554 -0.113 0.000 2.799 829 T HA 0.437 4.787 4.350 -0.000 0.000 0.286 829 T C 0.080 174.746 174.700 -0.056 0.000 0.973 829 T CA -0.437 61.614 62.100 -0.083 0.000 1.035 829 T CB 0.736 69.566 68.868 -0.063 0.000 0.932 829 T HN 0.052 nan 8.240 nan 0.000 0.469 830 L N 1.846 123.041 121.223 -0.048 0.000 2.331 830 L HA 0.614 4.954 4.340 -0.000 0.000 0.268 830 L C 1.652 178.508 176.870 -0.023 0.000 1.015 830 L CA -0.430 54.390 54.840 -0.034 0.000 0.807 830 L CB 0.382 42.422 42.059 -0.033 0.000 1.293 830 L HN 0.710 nan 8.230 nan 0.000 0.451 831 A N 0.161 122.971 122.820 -0.017 0.000 1.986 831 A HA -0.189 4.131 4.320 -0.000 0.000 0.220 831 A C 1.079 178.656 177.584 -0.011 0.000 1.171 831 A CA 2.293 54.323 52.037 -0.012 0.000 0.640 831 A CB -0.784 18.211 19.000 -0.009 0.000 0.811 831 A HN 0.908 nan 8.150 nan 0.000 0.451 832 D N -2.601 117.790 120.400 -0.015 0.000 2.474 832 D HA 0.546 5.186 4.640 -0.000 0.000 0.213 832 D C 0.354 176.642 176.300 -0.020 0.000 1.120 832 D CA 0.640 54.631 54.000 -0.015 0.000 0.836 832 D CB 0.551 41.342 40.800 -0.014 0.000 1.019 832 D HN 0.516 nan 8.370 nan 0.000 0.507 833 A N -0.113 122.690 122.820 -0.028 0.000 2.511 833 A HA 0.595 4.915 4.320 -0.000 0.000 0.293 833 A C -1.752 175.797 177.584 -0.059 0.000 1.098 833 A CA -0.790 51.222 52.037 -0.040 0.000 0.643 833 A CB 0.827 19.802 19.000 -0.042 0.000 1.302 833 A HN -0.032 nan 8.150 nan 0.000 0.446 834 V N 0.634 120.496 119.914 -0.087 0.000 2.427 834 V HA 0.588 4.708 4.120 -0.000 0.000 0.286 834 V C -0.718 175.299 176.094 -0.129 0.000 1.034 834 V CA -0.450 61.779 62.300 -0.119 0.000 0.893 834 V CB 1.196 32.933 31.823 -0.144 0.000 0.982 834 V HN 0.740 nan 8.190 nan 0.000 0.452 835 L N 6.221 127.367 121.223 -0.128 0.000 2.322 835 L HA 0.637 4.977 4.340 -0.000 0.000 0.281 835 L C -0.477 176.305 176.870 -0.147 0.000 1.014 835 L CA 0.104 54.882 54.840 -0.104 0.000 0.815 835 L CB 1.202 43.218 42.059 -0.071 0.000 1.247 835 L HN 0.459 nan 8.230 nan 0.000 0.421 836 I N 3.210 123.711 120.570 -0.115 0.000 2.646 836 I HA 0.417 4.587 4.170 -0.000 0.000 0.299 836 I C -0.437 175.711 176.117 0.052 0.000 1.036 836 I CA -0.504 60.713 61.300 -0.139 0.000 1.074 836 I CB 2.195 39.927 38.000 -0.447 0.000 1.258 836 I HN 0.448 nan 8.210 nan 0.000 0.430 837 T N 3.469 118.064 114.554 0.068 0.000 2.906 837 T HA 0.442 4.792 4.350 -0.000 0.000 0.302 837 T C -0.210 174.586 174.700 0.160 0.000 1.002 837 T CA -0.459 61.712 62.100 0.118 0.000 0.988 837 T CB 1.332 70.237 68.868 0.061 0.000 0.972 837 T HN 0.751 nan 8.240 nan 0.000 0.447 838 T N 0.635 115.338 114.554 0.249 0.000 2.940 838 T HA 0.887 5.237 4.350 -0.000 0.000 0.288 838 T C -0.583 174.247 174.700 0.218 0.000 1.033 838 T CA -1.145 61.103 62.100 0.246 0.000 1.033 838 T CB 2.034 71.171 68.868 0.449 0.000 1.079 838 T HN 0.639 nan 8.240 nan 0.000 0.496 839 A N 1.649 124.549 122.820 0.133 0.000 2.530 839 A HA 0.650 4.970 4.320 -0.000 0.000 0.279 839 A C -1.283 176.351 177.584 0.084 0.000 1.109 839 A CA -0.746 51.384 52.037 0.155 0.000 0.763 839 A CB 0.381 19.432 19.000 0.085 0.000 1.257 839 A HN 0.935 nan 8.150 nan 0.000 0.424 840 H N 0.533 119.692 119.070 0.149 0.000 2.621 840 H HA 0.844 5.400 4.556 -0.000 0.000 0.360 840 H C 0.153 175.540 175.328 0.098 0.000 1.163 840 H CA 0.339 56.406 56.048 0.030 0.000 1.194 840 H CB 2.100 31.826 29.762 -0.061 0.000 1.649 840 H HN 0.951 nan 8.280 nan 0.000 0.532 841 A N 1.577 124.446 122.820 0.082 0.000 2.414 841 A HA 0.458 4.778 4.320 -0.000 0.000 0.306 841 A C -1.515 176.085 177.584 0.027 0.000 1.054 841 A CA -0.730 51.414 52.037 0.178 0.000 0.724 841 A CB 1.370 20.434 19.000 0.108 0.000 1.267 841 A HN 0.593 nan 8.150 nan 0.000 0.418 842 W N 1.893 123.293 121.300 0.167 0.000 2.417 842 W HA 0.447 5.107 4.660 -0.000 0.000 0.315 842 W C -0.451 176.101 176.519 0.054 0.000 1.045 842 W CA -0.147 57.294 57.345 0.160 0.000 1.221 842 W CB 1.792 31.411 29.460 0.265 0.000 1.309 842 W HN 0.788 nan 8.180 nan 0.000 0.453 843 Q N 1.735 121.663 119.800 0.213 0.000 2.458 843 Q HA 0.469 4.809 4.340 -0.000 0.000 0.282 843 Q C -1.016 175.111 176.000 0.211 0.000 1.106 843 Q CA -0.944 54.946 55.803 0.145 0.000 0.814 843 Q CB 3.678 32.460 28.738 0.074 0.000 1.425 843 Q HN 0.411 nan 8.270 nan 0.000 0.437 844 H N 0.950 120.051 119.070 0.051 0.000 2.966 844 H HA 0.074 4.630 4.556 -0.000 0.000 0.347 844 H C -0.932 174.424 175.328 0.048 0.000 1.048 844 H CA -0.196 55.891 56.048 0.066 0.000 1.295 844 H CB 1.243 31.055 29.762 0.083 0.000 1.744 844 H HN 0.805 nan 8.280 nan 0.000 0.513 845 Q N 3.226 122.763 119.800 -0.439 0.000 2.395 845 Q HA -0.270 4.070 4.340 -0.000 0.000 0.326 845 Q C 1.033 176.971 176.000 -0.103 0.000 1.302 845 Q CA 1.160 56.792 55.803 -0.284 0.000 0.949 845 Q CB -1.409 27.136 28.738 -0.321 0.000 1.204 845 Q HN 1.139 nan 8.270 nan 0.000 0.444 846 G N -0.741 108.026 108.800 -0.054 0.000 2.225 846 G HA2 -0.381 3.579 3.960 -0.000 0.000 0.254 846 G HA3 -0.381 3.579 3.960 -0.000 0.000 0.254 846 G C 0.100 175.001 174.900 0.002 0.000 0.988 846 G CA 0.382 45.470 45.100 -0.019 0.000 0.625 846 G HN 0.426 nan 8.290 nan 0.000 0.527 847 K N 1.697 122.105 120.400 0.015 0.000 2.156 847 K HA 0.633 4.953 4.320 -0.000 0.000 0.271 847 K C 0.181 176.790 176.600 0.014 0.000 0.995 847 K CA -0.037 56.262 56.287 0.020 0.000 0.890 847 K CB 0.855 33.375 32.500 0.034 0.000 1.073 847 K HN 0.043 nan 8.250 nan 0.000 0.454 848 T N 5.708 120.260 114.554 -0.003 0.000 2.794 848 T HA 0.218 4.568 4.350 -0.000 0.000 0.296 848 T C 0.996 175.623 174.700 -0.122 0.000 0.949 848 T CA -0.465 61.629 62.100 -0.011 0.000 1.101 848 T CB 0.484 69.362 68.868 0.018 0.000 0.905 848 T HN 0.567 nan 8.240 nan 0.000 0.516 849 L N 1.265 122.320 121.223 -0.281 0.000 2.362 849 L HA 0.414 4.754 4.340 -0.000 0.000 0.204 849 L C -0.151 176.144 176.870 -0.958 0.000 1.060 849 L CA 0.335 54.705 54.840 -0.784 0.000 0.827 849 L CB 0.026 41.244 42.059 -1.403 0.000 1.027 849 L HN 0.484 nan 8.230 nan 0.000 0.474 850 F N -0.731 119.153 119.950 -0.109 0.000 2.650 850 F HA 0.635 5.162 4.527 -0.000 0.000 0.320 850 F C -0.440 175.452 175.800 0.153 0.000 1.091 850 F CA -0.988 56.924 58.000 -0.146 0.000 0.962 850 F CB 1.806 40.376 39.000 -0.718 0.000 1.363 850 F HN -0.337 nan 8.300 nan 0.000 0.482 851 I N 1.430 122.243 120.570 0.407 0.000 2.497 851 I HA 0.250 4.420 4.170 -0.000 0.000 0.284 851 I C -0.954 175.435 176.117 0.453 0.000 1.060 851 I CA -0.330 61.221 61.300 0.418 0.000 1.071 851 I CB 1.912 40.070 38.000 0.264 0.000 1.216 851 I HN 0.516 nan 8.210 nan 0.000 0.442 852 S N 6.568 122.636 115.700 0.615 0.000 2.437 852 S HA 0.562 5.032 4.470 -0.000 0.000 0.305 852 S C -0.422 174.421 174.600 0.404 0.000 1.109 852 S CA -0.584 57.929 58.200 0.523 0.000 1.099 852 S CB 0.765 64.366 63.200 0.668 0.000 1.004 852 S HN 0.517 nan 8.310 nan 0.000 0.475 853 R N 3.863 124.524 120.500 0.268 0.000 2.422 853 R HA 0.369 4.709 4.340 -0.000 0.000 0.307 853 R C -0.692 175.673 176.300 0.109 0.000 1.004 853 R CA -0.656 55.565 56.100 0.202 0.000 0.882 853 R CB 1.528 31.923 30.300 0.158 0.000 1.164 853 R HN 0.538 nan 8.270 nan 0.000 0.489 854 K N 0.986 121.458 120.400 0.119 0.000 2.211 854 K HA 0.498 4.818 4.320 -0.000 0.000 0.237 854 K C -0.082 176.517 176.600 -0.002 0.000 1.002 854 K CA -0.884 55.376 56.287 -0.045 0.000 0.885 854 K CB 2.102 34.483 32.500 -0.198 0.000 1.136 854 K HN 0.443 nan 8.250 nan 0.000 0.448 855 T N -0.687 113.792 114.554 -0.124 0.000 3.170 855 T HA 0.393 4.743 4.350 -0.000 0.000 0.315 855 T C -1.420 173.231 174.700 -0.082 0.000 0.967 855 T CA -0.762 61.325 62.100 -0.022 0.000 1.024 855 T CB -0.070 68.801 68.868 0.004 0.000 1.018 855 T HN 0.391 nan 8.240 nan 0.000 0.449 856 Y N 2.358 122.674 120.300 0.027 0.000 2.361 856 Y HA 0.762 5.312 4.550 -0.000 0.000 0.332 856 Y C 0.782 176.646 175.900 -0.061 0.000 1.101 856 Y CA -1.175 56.943 58.100 0.029 0.000 1.137 856 Y CB 1.500 40.037 38.460 0.127 0.000 1.207 856 Y HN 0.778 nan 8.280 nan 0.000 0.463 857 R N 4.289 124.843 120.500 0.091 0.000 2.549 857 R HA 0.461 4.801 4.340 -0.000 0.000 0.291 857 R C -2.228 174.029 176.300 -0.072 0.000 1.164 857 R CA -0.376 55.714 56.100 -0.017 0.000 0.973 857 R CB 0.734 31.029 30.300 -0.009 0.000 1.210 857 R HN 0.798 nan 8.270 nan 0.000 0.422 858 I N 4.027 124.498 120.570 -0.165 0.000 2.336 858 I HA 0.344 4.514 4.170 -0.000 0.000 0.292 858 I C -0.230 175.807 176.117 -0.133 0.000 0.991 858 I CA -0.700 60.451 61.300 -0.248 0.000 1.227 858 I CB 1.261 38.960 38.000 -0.502 0.000 1.366 858 I HN 0.689 nan 8.210 nan 0.000 0.466 859 D N 4.154 124.506 120.400 -0.080 0.000 2.654 859 D HA 0.301 4.941 4.640 -0.000 0.000 0.255 859 D C 1.111 177.411 176.300 -0.001 0.000 1.101 859 D CA -0.565 53.416 54.000 -0.032 0.000 1.116 859 D CB 0.800 41.589 40.800 -0.019 0.000 1.348 859 D HN 0.492 nan 8.370 nan 0.000 0.609 860 G N -0.231 108.569 108.800 0.001 0.000 2.505 860 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.220 860 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.220 860 G C 1.334 176.250 174.900 0.027 0.000 1.145 860 G CA 1.826 46.931 45.100 0.009 0.000 0.761 860 G HN 0.506 nan 8.290 nan 0.000 0.571 861 S N 0.302 116.015 115.700 0.022 0.000 2.372 861 S HA 0.085 4.555 4.470 -0.000 0.000 0.227 861 S C 1.923 176.568 174.600 0.075 0.000 1.044 861 S CA 1.659 59.883 58.200 0.039 0.000 1.050 861 S CB -0.596 62.627 63.200 0.039 0.000 0.901 861 S HN 1.749 nan 8.310 nan 0.000 0.447 862 G N 0.892 109.750 108.800 0.097 0.000 2.226 862 G HA2 -0.152 3.808 3.960 -0.000 0.000 0.176 862 G HA3 -0.152 3.808 3.960 -0.000 0.000 0.176 862 G C -0.514 174.504 174.900 0.195 0.000 1.042 862 G CA -0.468 44.750 45.100 0.195 0.000 0.732 862 G HN 0.502 nan 8.290 nan 0.000 0.494 863 Q N -0.399 119.458 119.800 0.096 0.000 2.333 863 Q HA 0.663 5.003 4.340 -0.000 0.000 0.267 863 Q C 0.157 176.170 176.000 0.021 0.000 1.012 863 Q CA -0.613 55.245 55.803 0.093 0.000 0.824 863 Q CB 2.157 30.948 28.738 0.089 0.000 1.290 863 Q HN 0.449 nan 8.270 nan 0.000 0.449 864 M N 2.064 121.690 119.600 0.044 0.000 2.209 864 M HA 0.602 5.082 4.480 -0.000 0.000 0.355 864 M C -1.266 175.109 176.300 0.125 0.000 1.171 864 M CA -0.423 54.875 55.300 -0.003 0.000 1.069 864 M CB 0.833 33.405 32.600 -0.047 0.000 1.622 864 M HN 0.738 nan 8.290 nan 0.000 0.459 865 A N 7.387 130.264 122.820 0.096 0.000 2.273 865 A HA 0.677 4.997 4.320 -0.000 0.000 0.315 865 A C -0.752 176.879 177.584 0.078 0.000 1.256 865 A CA -0.793 51.304 52.037 0.100 0.000 0.851 865 A CB 0.340 19.380 19.000 0.065 0.000 1.172 865 A HN 0.918 nan 8.150 nan 0.000 0.508 866 I N 1.100 121.706 120.570 0.061 0.000 2.577 866 I HA 0.539 4.709 4.170 -0.000 0.000 0.305 866 I C 0.026 176.048 176.117 -0.158 0.000 0.986 866 I CA -0.426 60.822 61.300 -0.087 0.000 1.189 866 I CB 2.100 40.060 38.000 -0.067 0.000 1.355 866 I HN 0.464 nan 8.210 nan 0.000 0.476 867 T N 3.948 118.338 114.554 -0.274 0.000 3.050 867 T HA 0.405 4.755 4.350 -0.000 0.000 0.310 867 T C -0.614 173.848 174.700 -0.397 0.000 0.978 867 T CA -0.360 61.565 62.100 -0.293 0.000 1.013 867 T CB 1.419 70.209 68.868 -0.131 0.000 1.000 867 T HN 0.267 nan 8.240 nan 0.000 0.447 868 V N 3.518 123.047 119.914 -0.642 0.000 2.483 868 V HA 0.644 4.764 4.120 -0.000 0.000 0.295 868 V C -0.437 175.419 176.094 -0.398 0.000 1.035 868 V CA -0.841 61.094 62.300 -0.608 0.000 0.896 868 V CB 1.955 33.124 31.823 -1.089 0.000 0.986 868 V HN 0.776 nan 8.190 nan 0.000 0.447 869 D N 2.660 123.011 120.400 -0.082 0.000 2.686 869 D HA 0.495 5.135 4.640 -0.000 0.000 0.249 869 D C -1.023 175.385 176.300 0.180 0.000 1.260 869 D CA -0.060 54.000 54.000 0.100 0.000 0.910 869 D CB 2.625 43.523 40.800 0.163 0.000 1.323 869 D HN 0.306 nan 8.370 nan 0.000 0.561 870 V N 1.632 121.697 119.914 0.252 0.000 2.769 870 V HA 0.479 4.599 4.120 -0.000 0.000 0.312 870 V C 0.122 176.366 176.094 0.250 0.000 1.058 870 V CA -0.717 61.758 62.300 0.292 0.000 0.952 870 V CB 2.572 34.615 31.823 0.368 0.000 1.019 870 V HN 0.375 nan 8.190 nan 0.000 0.445 871 E N 1.270 121.618 120.200 0.246 0.000 2.246 871 E HA 0.630 4.980 4.350 -0.000 0.000 0.266 871 E C -1.750 174.974 176.600 0.207 0.000 0.880 871 E CA -0.466 56.045 56.400 0.186 0.000 0.762 871 E CB 2.510 32.299 29.700 0.148 0.000 1.180 871 E HN 0.498 nan 8.360 nan 0.000 0.416 872 V N 1.414 121.440 119.914 0.186 0.000 2.555 872 V HA 0.566 4.686 4.120 -0.000 0.000 0.302 872 V C 0.075 176.225 176.094 0.093 0.000 1.038 872 V CA -1.106 61.300 62.300 0.176 0.000 0.887 872 V CB 1.623 33.617 31.823 0.284 0.000 0.991 872 V HN 0.801 nan 8.190 nan 0.000 0.434 873 A N 2.658 125.487 122.820 0.014 0.000 2.492 873 A HA 0.377 4.697 4.320 -0.000 0.000 0.254 873 A C 1.530 179.159 177.584 0.076 0.000 1.091 873 A CA 0.412 52.461 52.037 0.019 0.000 0.768 873 A CB 0.222 19.198 19.000 -0.040 0.000 1.028 873 A HN 1.446 nan 8.150 nan 0.000 0.498 874 S N 1.586 117.334 115.700 0.080 0.000 2.488 874 S HA -0.165 4.305 4.470 -0.000 0.000 0.246 874 S C 0.618 175.290 174.600 0.120 0.000 0.992 874 S CA 1.415 59.681 58.200 0.110 0.000 0.963 874 S CB -0.292 62.954 63.200 0.076 0.000 0.754 874 S HN 0.807 nan 8.310 nan 0.000 0.519 875 D N -0.348 120.102 120.400 0.085 0.000 2.670 875 D HA 0.223 4.863 4.640 -0.000 0.000 0.255 875 D C -0.176 176.167 176.300 0.071 0.000 1.286 875 D CA -0.292 53.749 54.000 0.069 0.000 0.830 875 D CB 0.099 40.924 40.800 0.041 0.000 1.065 875 D HN 0.187 nan 8.370 nan 0.000 0.486 876 T N 0.741 115.365 114.554 0.115 0.000 2.887 876 T HA 0.475 4.825 4.350 -0.000 0.000 0.288 876 T C -2.796 172.045 174.700 0.235 0.000 1.021 876 T CA -1.906 60.293 62.100 0.166 0.000 1.000 876 T CB 1.658 70.615 68.868 0.148 0.000 1.034 876 T HN -0.200 nan 8.240 nan 0.000 0.467 877 P HA 0.094 nan 4.420 nan 0.000 0.261 877 P C -0.500 177.111 177.300 0.519 0.000 1.183 877 P CA -0.048 63.166 63.100 0.189 0.000 0.761 877 P CB 0.030 31.816 31.700 0.143 0.000 0.785 878 H N 3.989 123.391 119.070 0.553 0.000 3.167 878 H HA 0.015 4.571 4.556 -0.000 0.000 0.306 878 H C -1.877 173.783 175.328 0.553 0.000 0.965 878 H CA -1.390 54.948 56.048 0.484 0.000 1.408 878 H CB -1.014 28.991 29.762 0.405 0.000 1.406 878 H HN 0.337 nan 8.280 nan 0.000 0.576 879 P HA 0.108 nan 4.420 nan 0.000 0.278 879 P C 0.425 177.689 177.300 -0.061 0.000 1.238 879 P CA -0.334 62.903 63.100 0.228 0.000 0.794 879 P CB 0.939 32.732 31.700 0.155 0.000 0.955 880 A N 4.041 126.612 122.820 -0.416 0.000 1.940 880 A HA -0.149 4.171 4.320 -0.000 0.000 0.219 880 A C 1.030 178.266 177.584 -0.580 0.000 1.176 880 A CA 1.587 53.326 52.037 -0.497 0.000 0.631 880 A CB -0.615 17.883 19.000 -0.837 0.000 0.814 880 A HN 0.772 nan 8.150 nan 0.000 0.446 881 R N -3.437 116.732 120.500 -0.552 0.000 2.741 881 R HA 0.739 5.079 4.340 -0.000 0.000 0.274 881 R C -1.595 174.442 176.300 -0.439 0.000 1.029 881 R CA -0.824 54.941 56.100 -0.559 0.000 0.880 881 R CB 0.789 30.638 30.300 -0.752 0.000 1.264 881 R HN -0.002 nan 8.270 nan 0.000 0.465 882 I N 1.108 121.428 120.570 -0.417 0.000 2.641 882 I HA 0.554 4.724 4.170 -0.000 0.000 0.275 882 I C -0.552 175.267 176.117 -0.497 0.000 1.129 882 I CA -0.279 60.766 61.300 -0.426 0.000 1.094 882 I CB 1.698 39.537 38.000 -0.269 0.000 1.232 882 I HN 0.933 nan 8.210 nan 0.000 0.503 883 G N 5.216 113.671 108.800 -0.576 0.000 2.911 883 G HA2 0.815 4.775 3.960 -0.000 0.000 0.299 883 G HA3 0.815 4.775 3.960 -0.000 0.000 0.299 883 G C -1.480 173.194 174.900 -0.377 0.000 1.283 883 G CA -0.577 44.246 45.100 -0.462 0.000 0.805 883 G HN 0.201 nan 8.290 nan 0.000 0.548 884 L N 0.796 121.860 121.223 -0.265 0.000 2.333 884 L HA 0.646 4.986 4.340 -0.000 0.000 0.263 884 L C -0.575 176.163 176.870 -0.221 0.000 1.014 884 L CA -1.097 53.607 54.840 -0.227 0.000 0.820 884 L CB 2.382 44.370 42.059 -0.117 0.000 1.352 884 L HN 0.762 nan 8.230 nan 0.000 0.421 885 N N 0.769 119.367 118.700 -0.170 0.000 2.610 885 N HA 0.734 5.474 4.740 -0.000 0.000 0.264 885 N C -1.354 174.149 175.510 -0.011 0.000 1.348 885 N CA -0.523 52.475 53.050 -0.086 0.000 0.819 885 N CB 2.487 40.945 38.487 -0.048 0.000 1.521 885 N HN 0.914 nan 8.380 nan 0.000 0.497 886 C N -1.070 118.264 119.300 0.057 0.000 3.136 886 C HA 0.381 4.841 4.460 -0.000 0.000 0.376 886 C C -1.112 173.767 174.990 -0.185 0.000 1.114 886 C CA -0.901 58.110 59.018 -0.010 0.000 1.110 886 C CB 0.516 28.252 27.740 -0.006 0.000 1.452 886 C HN 0.858 nan 8.230 nan 0.000 0.542 887 Q N 2.618 122.105 119.800 -0.522 0.000 2.406 887 Q HA 0.515 4.854 4.340 -0.000 0.000 0.242 887 Q C -0.282 175.456 176.000 -0.437 0.000 1.036 887 Q CA -0.369 54.886 55.803 -0.914 0.000 0.904 887 Q CB 0.500 28.304 28.738 -1.556 0.000 1.244 887 Q HN 0.790 nan 8.270 nan 0.000 0.478 888 L N 2.069 123.127 121.223 -0.276 0.000 2.482 888 L HA 0.058 4.398 4.340 -0.000 0.000 0.273 888 L C 1.135 177.914 176.870 -0.153 0.000 1.228 888 L CA 0.135 54.903 54.840 -0.120 0.000 0.827 888 L CB 0.550 42.619 42.059 0.017 0.000 1.099 888 L HN 0.774 nan 8.230 nan 0.000 0.494 889 A N 1.846 124.604 122.820 -0.104 0.000 2.030 889 A HA -0.029 4.291 4.320 -0.000 0.000 0.215 889 A C 0.963 178.498 177.584 -0.082 0.000 1.164 889 A CA 0.267 52.235 52.037 -0.114 0.000 0.697 889 A CB -0.093 18.841 19.000 -0.110 0.000 0.827 889 A HN 0.808 nan 8.150 nan 0.000 0.457 890 Q N -0.298 119.470 119.800 -0.055 0.000 2.317 890 Q HA 0.484 4.824 4.340 -0.000 0.000 0.229 890 Q C -1.328 174.631 176.000 -0.069 0.000 0.984 890 Q CA -0.108 55.649 55.803 -0.077 0.000 0.911 890 Q CB 1.068 29.745 28.738 -0.101 0.000 1.217 890 Q HN 0.108 nan 8.270 nan 0.000 0.501 891 V N 2.327 122.179 119.914 -0.103 0.000 2.488 891 V HA 0.680 4.800 4.120 -0.000 0.000 0.293 891 V C -0.717 175.320 176.094 -0.095 0.000 1.027 891 V CA -0.307 61.982 62.300 -0.019 0.000 0.862 891 V CB 0.961 32.792 31.823 0.014 0.000 1.008 891 V HN 0.922 nan 8.190 nan 0.000 0.428 892 A N 3.353 126.079 122.820 -0.157 0.000 2.282 892 A HA 0.806 5.126 4.320 -0.000 0.000 0.324 892 A C 0.860 178.549 177.584 0.174 0.000 1.119 892 A CA -0.338 51.654 52.037 -0.074 0.000 0.880 892 A CB 1.018 19.848 19.000 -0.283 0.000 1.294 892 A HN 0.662 nan 8.150 nan 0.000 0.493 893 E N 0.116 120.383 120.200 0.112 0.000 2.051 893 E HA -0.024 4.326 4.350 -0.000 0.000 0.189 893 E C 0.302 176.996 176.600 0.156 0.000 0.979 893 E CA 1.039 57.507 56.400 0.113 0.000 0.803 893 E CB 0.060 29.800 29.700 0.066 0.000 0.761 893 E HN 0.605 nan 8.360 nan 0.000 0.451 894 R N -0.439 120.173 120.500 0.187 0.000 2.892 894 R HA 0.607 4.947 4.340 -0.000 0.000 0.265 894 R C -0.705 175.766 176.300 0.285 0.000 1.025 894 R CA -0.800 55.421 56.100 0.202 0.000 0.982 894 R CB 1.959 32.350 30.300 0.151 0.000 1.185 894 R HN -0.218 nan 8.270 nan 0.000 0.484 895 V N 1.354 121.430 119.914 0.270 0.000 2.487 895 V HA 0.349 4.469 4.120 -0.000 0.000 0.298 895 V C -0.501 175.854 176.094 0.434 0.000 1.028 895 V CA -0.897 61.587 62.300 0.306 0.000 0.860 895 V CB 1.597 33.541 31.823 0.201 0.000 0.991 895 V HN 0.708 nan 8.190 nan 0.000 0.427 896 N N 4.328 123.264 118.700 0.394 0.000 2.346 896 N HA 0.513 5.253 4.740 -0.000 0.000 0.289 896 N C -1.404 174.357 175.510 0.418 0.000 1.027 896 N CA -0.437 52.811 53.050 0.330 0.000 0.864 896 N CB 2.666 41.248 38.487 0.158 0.000 1.370 896 N HN 0.832 nan 8.380 nan 0.000 0.481 897 W N 3.275 124.618 121.300 0.071 0.000 3.083 897 W HA 0.626 5.286 4.660 -0.000 0.000 0.333 897 W C -2.022 174.480 176.519 -0.028 0.000 1.217 897 W CA -1.109 56.265 57.345 0.049 0.000 1.170 897 W CB 0.780 30.325 29.460 0.140 0.000 1.437 897 W HN 0.221 nan 8.180 nan 0.000 0.557 898 L N 4.012 125.259 121.223 0.040 0.000 2.324 898 L HA 0.898 5.238 4.340 -0.000 0.000 0.274 898 L C -0.068 176.694 176.870 -0.179 0.000 1.012 898 L CA 0.263 54.948 54.840 -0.259 0.000 0.859 898 L CB 0.758 42.710 42.059 -0.178 0.000 1.224 898 L HN 0.989 nan 8.230 nan 0.000 0.429 899 G N 3.565 112.172 108.800 -0.322 0.000 2.450 899 G HA2 0.207 4.167 3.960 -0.000 0.000 0.273 899 G HA3 0.207 4.167 3.960 -0.000 0.000 0.273 899 G C -1.536 173.393 174.900 0.049 0.000 1.221 899 G CA -0.970 44.096 45.100 -0.056 0.000 0.900 899 G HN 0.313 nan 8.290 nan 0.000 0.483 900 L N 1.774 123.143 121.223 0.244 0.000 2.369 900 L HA 0.563 4.903 4.340 -0.000 0.000 0.279 900 L C 0.965 177.880 176.870 0.075 0.000 1.108 900 L CA 0.632 55.557 54.840 0.142 0.000 0.852 900 L CB 0.259 42.359 42.059 0.067 0.000 1.169 900 L HN 0.971 nan 8.230 nan 0.000 0.452 901 G N 3.857 112.451 108.800 -0.344 0.000 2.650 901 G HA2 0.368 4.328 3.960 -0.000 0.000 0.310 901 G HA3 0.368 4.328 3.960 -0.000 0.000 0.310 901 G C -2.704 171.327 174.900 -1.449 0.000 1.270 901 G CA -0.277 44.306 45.100 -0.861 0.000 0.810 901 G HN 0.275 nan 8.290 nan 0.000 0.493 902 P HA 0.130 nan 4.420 nan 0.000 0.234 902 P C 0.635 177.761 177.300 -0.290 0.000 1.175 902 P CA 0.553 63.094 63.100 -0.932 0.000 0.801 902 P CB 0.532 31.851 31.700 -0.636 0.000 0.891 903 Q N 0.298 119.896 119.800 -0.337 0.000 2.316 903 Q HA 0.129 4.469 4.340 -0.000 0.000 0.215 903 Q C 0.438 176.312 176.000 -0.209 0.000 1.020 903 Q CA -0.546 55.128 55.803 -0.215 0.000 0.970 903 Q CB 0.523 29.151 28.738 -0.183 0.000 1.187 903 Q HN 0.085 nan 8.270 nan 0.000 0.546 904 E N 1.528 121.621 120.200 -0.178 0.000 2.493 904 E HA -0.073 4.277 4.350 -0.000 0.000 0.255 904 E C -1.269 175.282 176.600 -0.082 0.000 0.999 904 E CA 0.133 56.437 56.400 -0.161 0.000 0.934 904 E CB 0.049 29.688 29.700 -0.101 0.000 0.940 904 E HN 0.543 nan 8.360 nan 0.000 0.473 905 N N 3.216 121.823 118.700 -0.155 0.000 2.264 905 N HA 0.314 5.054 4.740 -0.000 0.000 0.288 905 N C -1.817 173.610 175.510 -0.139 0.000 1.094 905 N CA -0.706 52.312 53.050 -0.053 0.000 0.817 905 N CB 0.870 39.291 38.487 -0.111 0.000 1.604 905 N HN 0.184 nan 8.380 nan 0.000 0.473 906 Y N 0.312 120.522 120.300 -0.150 0.000 2.562 906 Y HA 0.502 5.052 4.550 -0.000 0.000 0.343 906 Y C -1.606 174.261 175.900 -0.055 0.000 1.025 906 Y CA -2.207 55.807 58.100 -0.143 0.000 1.082 906 Y CB 1.540 39.901 38.460 -0.165 0.000 1.264 906 Y HN 0.448 nan 8.280 nan 0.000 0.478 907 P HA -0.186 nan 4.420 nan 0.000 0.216 907 P C 0.289 177.732 177.300 0.237 0.000 1.154 907 P CA 2.025 65.280 63.100 0.258 0.000 0.865 907 P CB 0.151 32.083 31.700 0.387 0.000 0.789 908 D N -1.710 118.618 120.400 -0.120 0.000 2.370 908 D HA 0.031 4.671 4.640 -0.000 0.000 0.230 908 D C 0.567 176.773 176.300 -0.157 0.000 1.143 908 D CA -0.056 53.626 54.000 -0.531 0.000 0.834 908 D CB -0.370 39.863 40.800 -0.945 0.000 0.944 908 D HN 0.164 nan 8.370 nan 0.000 0.504 909 R N 0.795 121.293 120.500 -0.004 0.000 2.891 909 R HA 0.140 4.480 4.340 -0.000 0.000 0.202 909 R C -0.924 175.416 176.300 0.066 0.000 1.510 909 R CA -0.126 55.995 56.100 0.035 0.000 1.294 909 R CB -0.139 30.161 30.300 -0.000 0.000 1.556 909 R HN 0.135 nan 8.270 nan 0.000 0.694 910 L N -1.785 119.488 121.223 0.083 0.000 3.521 910 L HA 0.351 4.691 4.340 -0.000 0.000 0.323 910 L C 1.261 178.173 176.870 0.070 0.000 1.268 910 L CA 0.100 54.976 54.840 0.060 0.000 1.064 910 L CB 0.330 42.415 42.059 0.044 0.000 1.455 910 L HN 0.119 nan 8.230 nan 0.000 0.622 911 T N -2.510 112.113 114.554 0.115 0.000 2.833 911 T HA -0.013 4.337 4.350 -0.000 0.000 0.269 911 T C 1.749 176.429 174.700 -0.033 0.000 1.054 911 T CA 1.333 63.514 62.100 0.134 0.000 1.135 911 T CB -0.329 68.698 68.868 0.265 0.000 0.869 911 T HN 0.400 nan 8.240 nan 0.000 0.466 912 A N 1.445 124.272 122.820 0.012 0.000 2.167 912 A HA 0.654 4.974 4.320 -0.000 0.000 0.214 912 A C 1.551 179.167 177.584 0.053 0.000 1.151 912 A CA 0.412 52.442 52.037 -0.011 0.000 0.735 912 A CB -0.851 18.302 19.000 0.255 0.000 0.802 912 A HN 0.820 nan 8.150 nan 0.000 0.467 913 A N -0.497 122.305 122.820 -0.029 0.000 2.409 913 A HA 0.446 4.766 4.320 -0.000 0.000 0.267 913 A C 0.079 177.607 177.584 -0.093 0.000 1.127 913 A CA -0.225 51.745 52.037 -0.112 0.000 0.795 913 A CB -0.361 18.577 19.000 -0.104 0.000 1.061 913 A HN 0.424 nan 8.150 nan 0.000 0.502 914 C N 1.892 121.104 119.300 -0.146 0.000 2.365 914 C HA 0.465 4.925 4.460 -0.000 0.000 0.351 914 C C 0.216 175.255 174.990 0.082 0.000 1.240 914 C CA -0.348 58.654 59.018 -0.027 0.000 2.062 914 C CB 0.117 27.857 27.740 -0.000 0.000 2.387 914 C HN 0.783 nan 8.230 nan 0.000 0.537 915 F N 4.482 124.250 119.950 -0.304 0.000 2.405 915 F HA 0.398 4.925 4.527 -0.000 0.000 0.358 915 F C 0.270 175.799 175.800 -0.451 0.000 1.151 915 F CA 0.673 58.406 58.000 -0.445 0.000 1.161 915 F CB -0.342 38.006 39.000 -1.087 0.000 1.245 915 F HN 0.672 nan 8.300 nan 0.000 0.545 916 D N 4.002 123.947 120.400 -0.758 0.000 2.921 916 D HA 0.248 4.888 4.640 -0.000 0.000 0.329 916 D C -1.364 174.120 176.300 -1.360 0.000 1.293 916 D CA -0.758 52.627 54.000 -1.024 0.000 0.964 916 D CB 1.906 42.103 40.800 -1.004 0.000 1.435 916 D HN 0.476 nan 8.370 nan 0.000 0.548 917 R N 0.801 120.530 120.500 -1.285 0.000 2.198 917 R HA 0.388 4.728 4.340 -0.000 0.000 0.339 917 R C -1.167 174.299 176.300 -1.389 0.000 1.020 917 R CA -0.519 54.921 56.100 -1.101 0.000 0.864 917 R CB 0.359 30.283 30.300 -0.627 0.000 1.105 917 R HN 0.219 nan 8.270 nan 0.000 0.463 918 W N 2.706 123.434 121.300 -0.953 0.000 2.512 918 W HA 0.363 5.023 4.660 -0.000 0.000 0.335 918 W C -0.485 175.630 176.519 -0.674 0.000 1.088 918 W CA -0.603 56.103 57.345 -1.066 0.000 1.236 918 W CB 1.327 29.663 29.460 -1.873 0.000 1.307 918 W HN 0.492 nan 8.180 nan 0.000 0.567 919 D N 2.240 122.558 120.400 -0.137 0.000 2.375 919 D HA 0.435 5.075 4.640 -0.000 0.000 0.241 919 D C -1.221 175.162 176.300 0.137 0.000 1.361 919 D CA -0.144 53.880 54.000 0.040 0.000 0.995 919 D CB 0.520 41.308 40.800 -0.020 0.000 1.312 919 D HN 0.216 nan 8.370 nan 0.000 0.576 920 L N 2.855 124.243 121.223 0.274 0.000 2.309 920 L HA 0.707 5.047 4.340 -0.000 0.000 0.261 920 L C -2.213 174.771 176.870 0.191 0.000 1.021 920 L CA -2.417 52.559 54.840 0.227 0.000 0.823 920 L CB 1.938 44.169 42.059 0.286 0.000 1.366 920 L HN 0.187 nan 8.230 nan 0.000 0.423 921 P HA 0.075 nan 4.420 nan 0.000 0.272 921 P C 0.532 177.901 177.300 0.114 0.000 1.230 921 P CA -0.429 62.739 63.100 0.113 0.000 0.788 921 P CB 0.871 32.620 31.700 0.082 0.000 0.949 922 L N 2.786 124.073 121.223 0.107 0.000 1.944 922 L HA -0.290 4.050 4.340 -0.000 0.000 0.218 922 L C 2.455 179.356 176.870 0.052 0.000 1.075 922 L CA 2.996 57.876 54.840 0.066 0.000 0.767 922 L CB -1.790 40.311 42.059 0.071 0.000 0.890 922 L HN 0.549 nan 8.230 nan 0.000 0.434 923 S N -1.195 114.541 115.700 0.061 0.000 2.422 923 S HA -0.328 4.142 4.470 -0.000 0.000 0.241 923 S C 1.626 176.284 174.600 0.097 0.000 1.076 923 S CA 1.851 60.102 58.200 0.084 0.000 1.066 923 S CB -1.228 62.016 63.200 0.073 0.000 0.890 923 S HN 0.610 nan 8.310 nan 0.000 0.465 924 D N 1.104 121.544 120.400 0.065 0.000 2.378 924 D HA 0.099 4.739 4.640 -0.000 0.000 0.227 924 D C 1.203 177.500 176.300 -0.005 0.000 1.012 924 D CA 0.653 54.675 54.000 0.036 0.000 0.905 924 D CB -0.134 40.696 40.800 0.049 0.000 0.895 924 D HN 0.569 nan 8.370 nan 0.000 0.532 925 M N -0.491 119.110 119.600 0.001 0.000 2.419 925 M HA 0.120 4.600 4.480 -0.000 0.000 0.252 925 M C -0.201 176.078 176.300 -0.035 0.000 1.143 925 M CA -0.260 54.990 55.300 -0.083 0.000 0.985 925 M CB -0.148 32.368 32.600 -0.140 0.000 1.489 925 M HN -0.088 nan 8.290 nan 0.000 0.484 926 Y N 0.527 120.757 120.300 -0.116 0.000 2.393 926 Y HA 0.509 5.059 4.550 -0.000 0.000 0.341 926 Y C -0.870 174.914 175.900 -0.194 0.000 0.988 926 Y CA -0.616 57.415 58.100 -0.115 0.000 1.078 926 Y CB 1.517 39.977 38.460 -0.001 0.000 1.203 926 Y HN -0.102 nan 8.280 nan 0.000 0.453 927 T N 9.150 123.133 114.554 -0.952 0.000 2.874 927 T HA 0.247 4.597 4.350 -0.000 0.000 0.321 927 T C -2.498 171.384 174.700 -1.363 0.000 1.075 927 T CA -1.488 59.966 62.100 -1.076 0.000 0.966 927 T CB 0.895 69.131 68.868 -1.053 0.000 1.001 927 T HN 0.468 nan 8.240 nan 0.000 0.476 928 P HA -0.037 nan 4.420 nan 0.000 0.297 928 P C -0.317 176.857 177.300 -0.210 0.000 1.544 928 P CA -0.167 62.508 63.100 -0.709 0.000 0.798 928 P CB -0.770 30.667 31.700 -0.439 0.000 1.757 929 Y N -0.343 119.846 120.300 -0.184 0.000 2.811 929 Y HA -0.096 4.454 4.550 -0.000 0.000 0.334 929 Y C 2.253 178.179 175.900 0.044 0.000 1.247 929 Y CA -0.533 57.543 58.100 -0.040 0.000 1.526 929 Y CB -0.224 38.158 38.460 -0.131 0.000 1.284 929 Y HN -0.160 nan 8.280 nan 0.000 0.586 930 V N 3.660 123.777 119.914 0.338 0.000 2.324 930 V HA -0.293 3.827 4.120 -0.000 0.000 0.250 930 V C 0.668 176.932 176.094 0.283 0.000 1.060 930 V CA 1.644 64.117 62.300 0.288 0.000 1.042 930 V CB -0.636 31.385 31.823 0.331 0.000 0.650 930 V HN 0.607 nan 8.190 nan 0.000 0.450 931 F N 3.299 123.287 119.950 0.063 0.000 2.308 931 F HA 0.555 5.082 4.527 -0.000 0.000 0.370 931 F C -2.517 173.284 175.800 0.002 0.000 1.100 931 F CA -3.736 54.259 58.000 -0.008 0.000 1.108 931 F CB 0.704 39.615 39.000 -0.147 0.000 1.293 931 F HN -0.012 nan 8.300 nan 0.000 0.478 932 P HA 0.204 nan 4.420 nan 0.000 0.266 932 P C -0.900 176.158 177.300 -0.403 0.000 1.195 932 P CA 0.188 63.111 63.100 -0.296 0.000 0.768 932 P CB 1.126 32.648 31.700 -0.297 0.000 0.838 933 S N 0.042 115.669 115.700 -0.122 0.000 2.672 933 S HA 0.476 4.946 4.470 -0.000 0.000 0.271 933 S C -0.691 173.910 174.600 0.003 0.000 1.171 933 S CA -0.956 57.217 58.200 -0.046 0.000 0.817 933 S CB 0.711 63.953 63.200 0.069 0.000 1.150 933 S HN 0.379 nan 8.310 nan 0.000 0.478 934 E N 1.018 121.237 120.200 0.031 0.000 2.467 934 E HA 0.374 4.724 4.350 -0.000 0.000 0.264 934 E C -0.134 176.509 176.600 0.072 0.000 1.020 934 E CA 0.790 57.220 56.400 0.049 0.000 0.945 934 E CB -0.036 29.729 29.700 0.108 0.000 0.942 934 E HN 0.887 nan 8.360 nan 0.000 0.449 935 N N 0.557 119.293 118.700 0.060 0.000 3.355 935 N HA 0.419 5.159 4.740 -0.000 0.000 0.238 935 N C 0.160 175.647 175.510 -0.038 0.000 1.466 935 N CA -0.471 52.613 53.050 0.056 0.000 0.882 935 N CB 0.642 39.062 38.487 -0.112 0.000 1.406 935 N HN 0.858 nan 8.380 nan 0.000 0.500 936 G N -1.271 107.474 108.800 -0.093 0.000 2.179 936 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.260 936 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.260 936 G C -0.089 174.545 174.900 -0.444 0.000 0.977 936 G CA 0.317 45.270 45.100 -0.246 0.000 0.641 936 G HN 0.742 nan 8.290 nan 0.000 0.533 937 L N 1.091 121.997 121.223 -0.528 0.000 2.516 937 L HA 0.426 4.766 4.340 -0.000 0.000 0.288 937 L C 0.972 177.294 176.870 -0.912 0.000 1.246 937 L CA 0.743 55.041 54.840 -0.903 0.000 0.844 937 L CB 0.343 41.513 42.059 -1.482 0.000 1.106 937 L HN 0.388 nan 8.230 nan 0.000 0.509 938 R N 3.364 123.254 120.500 -1.016 0.000 2.621 938 R HA 0.521 4.861 4.340 -0.000 0.000 0.284 938 R C -1.205 174.743 176.300 -0.586 0.000 0.998 938 R CA -0.778 54.821 56.100 -0.835 0.000 0.895 938 R CB 1.001 30.702 30.300 -0.998 0.000 1.195 938 R HN 0.556 nan 8.270 nan 0.000 0.450 939 C N -0.238 118.861 119.300 -0.336 0.000 2.451 939 C HA 0.685 5.145 4.460 -0.000 0.000 0.391 939 C C 1.186 176.116 174.990 -0.100 0.000 1.286 939 C CA 0.125 59.013 59.018 -0.215 0.000 1.935 939 C CB 1.217 28.867 27.740 -0.151 0.000 2.188 939 C HN 1.071 nan 8.230 nan 0.000 0.523 940 G N 2.346 111.099 108.800 -0.078 0.000 2.386 940 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.295 940 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.295 940 G C -0.163 174.733 174.900 -0.008 0.000 0.979 940 G CA 0.524 45.625 45.100 0.001 0.000 1.193 940 G HN 0.881 nan 8.290 nan 0.000 0.508 941 T N -0.202 114.173 114.554 -0.299 0.000 2.829 941 T HA 0.646 4.996 4.350 -0.000 0.000 0.282 941 T C 1.204 175.578 174.700 -0.543 0.000 0.990 941 T CA -0.843 60.971 62.100 -0.477 0.000 1.028 941 T CB 2.242 70.751 68.868 -0.597 0.000 0.951 941 T HN 0.308 nan 8.240 nan 0.000 0.460 942 R N 0.931 121.362 120.500 -0.115 0.000 2.287 942 R HA 0.281 4.621 4.340 -0.000 0.000 0.197 942 R C 0.364 176.778 176.300 0.189 0.000 0.900 942 R CA 0.166 56.317 56.100 0.085 0.000 1.052 942 R CB 0.806 31.236 30.300 0.217 0.000 1.117 942 R HN 0.773 nan 8.270 nan 0.000 0.568 943 E N 0.938 121.242 120.200 0.172 0.000 2.343 943 E HA 0.219 4.568 4.350 -0.000 0.000 0.286 943 E C -1.972 174.776 176.600 0.247 0.000 0.915 943 E CA -0.500 56.048 56.400 0.247 0.000 0.784 943 E CB 1.486 31.291 29.700 0.175 0.000 1.251 943 E HN -0.092 nan 8.360 nan 0.000 0.407 944 L N 4.093 125.499 121.223 0.305 0.000 2.365 944 L HA 0.641 4.981 4.340 -0.000 0.000 0.273 944 L C -1.738 175.329 176.870 0.329 0.000 1.000 944 L CA -0.441 54.515 54.840 0.194 0.000 0.819 944 L CB 1.751 43.755 42.059 -0.091 0.000 1.284 944 L HN 0.486 nan 8.230 nan 0.000 0.418 945 N N 4.502 123.368 118.700 0.277 0.000 2.577 945 N HA 0.244 4.984 4.740 -0.000 0.000 0.275 945 N C -2.030 173.692 175.510 0.354 0.000 1.091 945 N CA -0.238 52.984 53.050 0.286 0.000 0.843 945 N CB 1.451 40.049 38.487 0.185 0.000 1.295 945 N HN 0.527 nan 8.380 nan 0.000 0.530 946 Y N 1.579 122.037 120.300 0.264 0.000 2.338 946 Y HA 0.539 5.089 4.550 -0.000 0.000 0.333 946 Y C 0.899 176.917 175.900 0.196 0.000 0.968 946 Y CA 0.121 58.349 58.100 0.213 0.000 1.123 946 Y CB 0.884 39.482 38.460 0.231 0.000 1.165 946 Y HN 0.792 nan 8.280 nan 0.000 0.452 947 G N 6.600 115.332 108.800 -0.113 0.000 2.550 947 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.277 947 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.277 947 G C -1.816 173.043 174.900 -0.068 0.000 1.190 947 G CA 0.013 45.014 45.100 -0.164 0.000 0.971 947 G HN 0.532 nan 8.290 nan 0.000 0.559 948 P HA 0.138 nan 4.420 nan 0.000 0.235 948 P C 0.583 177.727 177.300 -0.262 0.000 1.177 948 P CA 0.828 63.794 63.100 -0.225 0.000 0.785 948 P CB -0.031 31.456 31.700 -0.356 0.000 0.885 949 H N 0.606 119.623 119.070 -0.088 0.000 2.607 949 H HA 0.385 4.941 4.556 -0.000 0.000 0.367 949 H C 0.434 175.557 175.328 -0.342 0.000 1.181 949 H CA 0.378 56.278 56.048 -0.246 0.000 1.402 949 H CB 1.017 30.531 29.762 -0.413 0.000 1.474 949 H HN 0.098 nan 8.280 nan 0.000 0.596 950 Q N 1.778 121.301 119.800 -0.461 0.000 2.378 950 Q HA 0.207 4.547 4.340 -0.000 0.000 0.262 950 Q C -1.977 173.840 176.000 -0.305 0.000 0.978 950 Q CA -0.721 54.948 55.803 -0.222 0.000 0.918 950 Q CB 1.846 30.587 28.738 0.005 0.000 1.415 950 Q HN 0.623 nan 8.270 nan 0.000 0.409 951 W N 2.880 124.146 121.300 -0.058 0.000 2.799 951 W HA 0.696 5.356 4.660 -0.000 0.000 0.349 951 W C -0.267 176.308 176.519 0.094 0.000 1.100 951 W CA -1.107 56.189 57.345 -0.082 0.000 1.174 951 W CB 2.191 31.432 29.460 -0.365 0.000 1.427 951 W HN 0.543 nan 8.180 nan 0.000 0.547 952 R N 0.347 121.064 120.500 0.361 0.000 2.673 952 R HA 0.714 5.054 4.340 -0.000 0.000 0.281 952 R C -0.001 176.523 176.300 0.373 0.000 0.991 952 R CA -0.497 55.819 56.100 0.360 0.000 0.896 952 R CB 2.336 32.784 30.300 0.246 0.000 1.201 952 R HN 0.792 nan 8.270 nan 0.000 0.457 953 G N 0.906 109.973 108.800 0.445 0.000 2.512 953 G HA2 0.031 3.991 3.960 -0.000 0.000 0.181 953 G HA3 0.031 3.991 3.960 -0.000 0.000 0.181 953 G C -1.791 173.306 174.900 0.328 0.000 1.173 953 G CA -0.425 44.908 45.100 0.388 0.000 0.988 953 G HN 0.443 nan 8.290 nan 0.000 0.485 954 D N 0.425 121.028 120.400 0.337 0.000 2.402 954 D HA 0.669 5.309 4.640 -0.000 0.000 0.252 954 D C -0.975 175.420 176.300 0.158 0.000 1.294 954 D CA -0.175 53.909 54.000 0.140 0.000 0.948 954 D CB 0.880 41.739 40.800 0.099 0.000 1.202 954 D HN 0.570 nan 8.370 nan 0.000 0.561 955 F N 0.122 120.055 119.950 -0.029 0.000 2.817 955 F HA 0.527 5.054 4.527 -0.000 0.000 0.317 955 F C -1.455 174.296 175.800 -0.082 0.000 1.168 955 F CA -1.106 56.816 58.000 -0.130 0.000 0.911 955 F CB 0.662 39.574 39.000 -0.146 0.000 1.337 955 F HN -0.123 nan 8.300 nan 0.000 0.464 956 Q N 1.753 121.582 119.800 0.049 0.000 2.297 956 Q HA 0.746 5.086 4.340 -0.000 0.000 0.268 956 Q C -1.224 174.872 176.000 0.160 0.000 1.045 956 Q CA -0.548 55.221 55.803 -0.058 0.000 0.861 956 Q CB 2.794 31.400 28.738 -0.220 0.000 1.344 956 Q HN 0.940 nan 8.270 nan 0.000 0.452 957 F N -1.329 118.494 119.950 -0.211 0.000 2.741 957 F HA 0.685 5.212 4.527 -0.000 0.000 0.311 957 F C -1.985 173.603 175.800 -0.353 0.000 1.149 957 F CA -1.082 56.778 58.000 -0.234 0.000 0.930 957 F CB 1.383 40.293 39.000 -0.150 0.000 1.312 957 F HN 0.597 nan 8.300 nan 0.000 0.450 958 N N 1.986 120.554 118.700 -0.221 0.000 2.277 958 N HA 0.702 5.442 4.740 -0.000 0.000 0.286 958 N C -2.196 173.277 175.510 -0.061 0.000 1.140 958 N CA -0.696 52.163 53.050 -0.319 0.000 0.799 958 N CB 2.508 40.803 38.487 -0.321 0.000 1.596 958 N HN 1.147 nan 8.380 nan 0.000 0.473 959 I N 0.466 120.987 120.570 -0.083 0.000 2.607 959 I HA 0.740 4.910 4.170 -0.000 0.000 0.290 959 I C -1.255 174.802 176.117 -0.100 0.000 1.129 959 I CA -0.030 61.204 61.300 -0.111 0.000 1.042 959 I CB 1.503 39.377 38.000 -0.209 0.000 1.242 959 I HN 1.067 nan 8.210 nan 0.000 0.421 960 S N 6.006 121.670 115.700 -0.060 0.000 2.669 960 S HA 0.455 4.925 4.470 -0.000 0.000 0.266 960 S C -0.611 173.947 174.600 -0.070 0.000 1.149 960 S CA -1.047 57.125 58.200 -0.047 0.000 0.842 960 S CB 1.357 64.601 63.200 0.073 0.000 1.160 960 S HN 0.709 nan 8.310 nan 0.000 0.487 961 R N 0.250 120.573 120.500 -0.296 0.000 2.568 961 R HA 0.294 4.633 4.340 -0.000 0.000 0.288 961 R C -1.066 174.916 176.300 -0.530 0.000 1.077 961 R CA 0.016 55.883 56.100 -0.388 0.000 1.102 961 R CB -0.668 29.343 30.300 -0.480 0.000 1.278 961 R HN 0.596 nan 8.270 nan 0.000 0.560 962 Y N 0.087 120.373 120.300 -0.023 0.000 2.477 962 Y HA 0.248 4.798 4.550 -0.000 0.000 0.347 962 Y C 0.511 176.177 175.900 -0.390 0.000 0.981 962 Y CA -1.245 56.745 58.100 -0.184 0.000 1.033 962 Y CB 1.680 39.989 38.460 -0.252 0.000 1.245 962 Y HN -0.040 nan 8.280 nan 0.000 0.455 963 S N 1.440 116.853 115.700 -0.479 0.000 2.610 963 S HA 0.131 4.601 4.470 -0.000 0.000 0.273 963 S C 0.760 175.066 174.600 -0.489 0.000 1.274 963 S CA -0.858 56.751 58.200 -0.985 0.000 1.023 963 S CB 1.373 63.942 63.200 -1.053 0.000 0.962 963 S HN 0.724 nan 8.310 nan 0.000 0.523 964 Q N 1.214 120.733 119.800 -0.468 0.000 2.173 964 Q HA -0.267 4.073 4.340 -0.000 0.000 0.208 964 Q C 2.064 177.941 176.000 -0.205 0.000 0.989 964 Q CA 2.020 57.670 55.803 -0.254 0.000 0.872 964 Q CB -0.547 28.076 28.738 -0.192 0.000 0.909 964 Q HN 0.928 nan 8.270 nan 0.000 0.420 965 Q N 0.519 120.174 119.800 -0.241 0.000 2.030 965 Q HA -0.209 4.131 4.340 -0.000 0.000 0.204 965 Q C 2.236 178.151 176.000 -0.142 0.000 0.986 965 Q CA 1.535 57.244 55.803 -0.157 0.000 0.843 965 Q CB 0.008 28.668 28.738 -0.130 0.000 0.904 965 Q HN 0.388 nan 8.270 nan 0.000 0.420 966 Q N -0.050 119.651 119.800 -0.164 0.000 2.045 966 Q HA -0.224 4.115 4.340 -0.000 0.000 0.206 966 Q C 2.163 178.072 176.000 -0.152 0.000 0.991 966 Q CA 1.761 57.488 55.803 -0.127 0.000 0.851 966 Q CB -0.196 28.465 28.738 -0.127 0.000 0.911 966 Q HN 0.442 nan 8.270 nan 0.000 0.418 967 L N -0.064 121.052 121.223 -0.178 0.000 2.042 967 L HA -0.240 4.100 4.340 -0.000 0.000 0.210 967 L C 2.698 179.441 176.870 -0.211 0.000 1.076 967 L CA 1.459 56.176 54.840 -0.205 0.000 0.749 967 L CB -0.486 41.470 42.059 -0.172 0.000 0.893 967 L HN 0.396 nan 8.230 nan 0.000 0.432 968 M N -0.621 118.881 119.600 -0.162 0.000 2.296 968 M HA -0.156 4.324 4.480 -0.000 0.000 0.265 968 M C 1.756 177.973 176.300 -0.139 0.000 1.064 968 M CA 1.688 56.900 55.300 -0.146 0.000 1.109 968 M CB 0.121 32.651 32.600 -0.117 0.000 1.396 968 M HN 0.163 nan 8.290 nan 0.000 0.430 969 E N -0.664 119.463 120.200 -0.123 0.000 2.473 969 E HA 0.096 4.446 4.350 -0.000 0.000 0.204 969 E C -0.326 176.228 176.600 -0.077 0.000 0.994 969 E CA 0.025 56.376 56.400 -0.083 0.000 0.945 969 E CB 0.733 30.397 29.700 -0.060 0.000 0.990 969 E HN 0.337 nan 8.360 nan 0.000 0.493 970 T N 0.414 114.896 114.554 -0.119 0.000 2.845 970 T HA 0.072 4.422 4.350 -0.000 0.000 0.288 970 T C 1.121 175.745 174.700 -0.127 0.000 0.980 970 T CA -0.247 61.790 62.100 -0.105 0.000 1.071 970 T CB 1.608 70.398 68.868 -0.130 0.000 0.941 970 T HN 0.031 nan 8.240 nan 0.000 0.487 971 S N 1.742 117.441 115.700 -0.002 0.000 2.503 971 S HA 0.117 4.587 4.470 -0.000 0.000 0.215 971 S C 0.209 174.842 174.600 0.055 0.000 1.003 971 S CA 0.066 58.307 58.200 0.070 0.000 0.910 971 S CB -0.135 63.229 63.200 0.274 0.000 0.790 971 S HN 0.739 nan 8.310 nan 0.000 0.514 972 H N 0.760 119.860 119.070 0.049 0.000 2.771 972 H HA 0.484 5.040 4.556 -0.000 0.000 0.361 972 H C 0.814 176.179 175.328 0.062 0.000 1.108 972 H CA -0.768 55.369 56.048 0.148 0.000 1.201 972 H CB 1.459 31.354 29.762 0.222 0.000 1.681 972 H HN 0.118 nan 8.280 nan 0.000 0.534 973 R N 2.140 122.765 120.500 0.208 0.000 2.355 973 R HA -0.142 4.198 4.340 -0.000 0.000 0.219 973 R C 0.441 176.809 176.300 0.112 0.000 1.107 973 R CA 1.612 57.772 56.100 0.100 0.000 1.021 973 R CB -0.240 30.127 30.300 0.113 0.000 0.852 973 R HN 0.761 nan 8.270 nan 0.000 0.475 974 H N -0.104 118.962 119.070 -0.007 0.000 2.575 974 H HA 0.143 4.699 4.556 -0.000 0.000 0.267 974 H C 1.338 176.601 175.328 -0.108 0.000 0.966 974 H CA -0.041 55.971 56.048 -0.060 0.000 1.165 974 H CB 0.021 29.728 29.762 -0.092 0.000 1.433 974 H HN 0.243 nan 8.280 nan 0.000 0.544 975 L N 0.901 121.851 121.223 -0.456 0.000 2.607 975 L HA 0.258 4.598 4.340 -0.000 0.000 0.228 975 L C 0.573 177.363 176.870 -0.134 0.000 1.123 975 L CA 0.010 54.619 54.840 -0.385 0.000 0.890 975 L CB 0.274 42.110 42.059 -0.371 0.000 1.103 975 L HN 0.104 nan 8.230 nan 0.000 0.468 976 L N 1.473 122.631 121.223 -0.109 0.000 2.349 976 L HA 0.210 4.550 4.340 -0.000 0.000 0.275 976 L C 0.029 176.948 176.870 0.083 0.000 1.115 976 L CA -0.163 54.626 54.840 -0.086 0.000 0.820 976 L CB 0.741 42.597 42.059 -0.337 0.000 1.135 976 L HN 0.206 nan 8.230 nan 0.000 0.445 977 H N 2.708 121.852 119.070 0.124 0.000 2.637 977 H HA 0.591 5.147 4.556 -0.000 0.000 0.363 977 H C -0.824 174.561 175.328 0.094 0.000 1.131 977 H CA -1.120 54.986 56.048 0.095 0.000 1.183 977 H CB 1.523 31.290 29.762 0.010 0.000 1.637 977 H HN 0.650 nan 8.280 nan 0.000 0.531 978 A N 3.134 125.889 122.820 -0.109 0.000 2.483 978 A HA 0.149 4.469 4.320 -0.000 0.000 0.238 978 A C 0.243 177.748 177.584 -0.133 0.000 1.070 978 A CA -0.224 51.600 52.037 -0.356 0.000 0.770 978 A CB 0.091 18.925 19.000 -0.277 0.000 1.008 978 A HN 0.849 nan 8.150 nan 0.000 0.497 979 E N 0.450 120.539 120.200 -0.184 0.000 2.232 979 E HA 0.162 4.512 4.350 -0.000 0.000 0.265 979 E C 0.538 177.131 176.600 -0.011 0.000 1.001 979 E CA -0.653 55.756 56.400 0.016 0.000 0.870 979 E CB 1.139 30.940 29.700 0.168 0.000 1.175 979 E HN 0.840 nan 8.360 nan 0.000 0.407 980 E N 1.176 121.382 120.200 0.010 0.000 2.063 980 E HA -0.265 4.085 4.350 -0.000 0.000 0.221 980 E C 1.159 177.698 176.600 -0.101 0.000 1.052 980 E CA 1.884 58.257 56.400 -0.046 0.000 0.891 980 E CB -0.140 29.532 29.700 -0.046 0.000 0.792 980 E HN 0.619 nan 8.360 nan 0.000 0.482 981 G N -1.382 107.306 108.800 -0.187 0.000 3.311 981 G HA2 0.145 4.105 3.960 -0.000 0.000 0.169 981 G HA3 0.145 4.105 3.960 -0.000 0.000 0.169 981 G C -0.413 174.400 174.900 -0.146 0.000 1.852 981 G CA 0.255 45.244 45.100 -0.185 0.000 1.010 981 G HN 0.244 nan 8.290 nan 0.000 0.530 982 T N 0.269 114.727 114.554 -0.160 0.000 2.965 982 T HA 0.286 4.636 4.350 -0.000 0.000 0.306 982 T C -1.432 173.173 174.700 -0.159 0.000 0.991 982 T CA -0.238 61.821 62.100 -0.068 0.000 1.001 982 T CB 1.106 70.055 68.868 0.136 0.000 0.984 982 T HN 0.347 nan 8.240 nan 0.000 0.446 983 W N 3.317 124.553 121.300 -0.106 0.000 2.266 983 W HA 0.561 5.221 4.660 -0.000 0.000 0.317 983 W C -0.130 176.297 176.519 -0.154 0.000 1.310 983 W CA -0.606 56.671 57.345 -0.113 0.000 1.207 983 W CB 0.598 29.994 29.460 -0.105 0.000 1.199 983 W HN 0.373 nan 8.180 nan 0.000 0.544 984 L N 5.703 126.981 121.223 0.092 0.000 2.381 984 L HA 0.484 4.824 4.340 -0.000 0.000 0.274 984 L C -0.955 175.852 176.870 -0.104 0.000 0.988 984 L CA -0.600 54.179 54.840 -0.103 0.000 0.824 984 L CB 1.028 42.920 42.059 -0.279 0.000 1.263 984 L HN 0.373 nan 8.230 nan 0.000 0.410 985 N N 6.650 125.265 118.700 -0.143 0.000 2.321 985 N HA 0.579 5.319 4.740 -0.000 0.000 0.299 985 N C -1.323 174.054 175.510 -0.221 0.000 1.048 985 N CA -0.489 52.461 53.050 -0.167 0.000 0.836 985 N CB 2.654 41.062 38.487 -0.133 0.000 1.269 985 N HN 0.478 nan 8.380 nan 0.000 0.486 986 I N 1.843 122.247 120.570 -0.277 0.000 2.503 986 I HA 0.195 4.365 4.170 -0.000 0.000 0.282 986 I C -1.016 174.919 176.117 -0.304 0.000 1.059 986 I CA -0.576 60.530 61.300 -0.323 0.000 1.081 986 I CB 1.751 39.418 38.000 -0.555 0.000 1.210 986 I HN 0.282 nan 8.210 nan 0.000 0.450 987 D N 4.305 124.561 120.400 -0.241 0.000 2.181 987 D HA 0.312 4.952 4.640 -0.000 0.000 0.248 987 D C 0.927 176.916 176.300 -0.518 0.000 1.020 987 D CA -0.291 53.489 54.000 -0.368 0.000 0.891 987 D CB 2.806 43.465 40.800 -0.235 0.000 1.187 987 D HN 0.684 nan 8.370 nan 0.000 0.443 988 G N 0.337 108.583 108.800 -0.923 0.000 2.595 988 G HA2 0.101 4.061 3.960 -0.000 0.000 0.213 988 G HA3 0.101 4.061 3.960 -0.000 0.000 0.213 988 G C 0.011 174.090 174.900 -1.367 0.000 1.141 988 G CA 0.189 44.554 45.100 -1.225 0.000 0.806 988 G HN 0.351 nan 8.290 nan 0.000 0.530 989 F N -0.682 119.032 119.950 -0.393 0.000 2.596 989 F HA 0.503 5.030 4.527 -0.000 0.000 0.311 989 F C -0.677 174.976 175.800 -0.245 0.000 1.116 989 F CA -1.182 56.652 58.000 -0.276 0.000 0.957 989 F CB 2.042 40.773 39.000 -0.448 0.000 1.250 989 F HN -0.088 nan 8.300 nan 0.000 0.444 990 H N 3.671 122.709 119.070 -0.054 0.000 2.768 990 H HA 0.570 5.126 4.556 -0.000 0.000 0.371 990 H C -1.004 174.343 175.328 0.031 0.000 1.151 990 H CA -0.776 55.234 56.048 -0.064 0.000 1.165 990 H CB 2.446 32.142 29.762 -0.110 0.000 1.722 990 H HN 0.861 nan 8.280 nan 0.000 0.543 991 M N 2.444 122.143 119.600 0.166 0.000 2.283 991 M HA 0.495 4.975 4.480 -0.000 0.000 0.314 991 M C 0.184 176.667 176.300 0.305 0.000 1.153 991 M CA -0.161 55.252 55.300 0.190 0.000 1.084 991 M CB 1.013 33.623 32.600 0.017 0.000 1.468 991 M HN 0.551 nan 8.290 nan 0.000 0.474 992 G N 1.214 110.164 108.800 0.250 0.000 2.716 992 G HA2 0.335 4.295 3.960 -0.000 0.000 0.251 992 G HA3 0.335 4.295 3.960 -0.000 0.000 0.251 992 G C 0.486 175.409 174.900 0.039 0.000 1.224 992 G CA -0.375 44.807 45.100 0.137 0.000 0.891 992 G HN 1.013 nan 8.290 nan 0.000 0.561 993 I N -2.381 118.149 120.570 -0.066 0.000 4.070 993 I HA 0.432 4.602 4.170 -0.000 0.000 0.328 993 I C 1.244 177.299 176.117 -0.102 0.000 1.298 993 I CA 0.385 61.609 61.300 -0.126 0.000 1.173 993 I CB -0.384 37.447 38.000 -0.281 0.000 1.051 993 I HN 0.940 nan 8.210 nan 0.000 0.409 994 G N 2.084 110.831 108.800 -0.088 0.000 2.552 994 G HA2 -0.025 3.935 3.960 -0.000 0.000 0.265 994 G HA3 -0.025 3.935 3.960 -0.000 0.000 0.265 994 G C 0.697 175.566 174.900 -0.053 0.000 1.234 994 G CA 0.382 45.453 45.100 -0.048 0.000 0.944 994 G HN 1.484 nan 8.290 nan 0.000 0.568 995 G N -2.261 106.515 108.800 -0.040 0.000 2.198 995 G HA2 -0.017 3.943 3.960 -0.000 0.000 0.156 995 G HA3 -0.017 3.943 3.960 -0.000 0.000 0.156 995 G C 0.530 175.440 174.900 0.018 0.000 1.012 995 G CA 0.981 46.063 45.100 -0.031 0.000 0.692 995 G HN 1.004 nan 8.290 nan 0.000 0.492 996 D N 1.046 121.462 120.400 0.026 0.000 2.348 996 D HA 0.267 4.907 4.640 -0.000 0.000 0.216 996 D C 0.807 177.073 176.300 -0.056 0.000 0.970 996 D CA 1.810 55.883 54.000 0.122 0.000 0.889 996 D CB 0.243 41.137 40.800 0.157 0.000 0.912 996 D HN 0.856 nan 8.370 nan 0.000 0.524 997 D N -3.454 116.743 120.400 -0.339 0.000 2.766 997 D HA 0.112 4.752 4.640 -0.000 0.000 0.244 997 D C -0.839 174.945 176.300 -0.859 0.000 1.198 997 D CA -0.620 52.774 54.000 -1.009 0.000 0.739 997 D CB 0.438 40.367 40.800 -1.450 0.000 1.379 997 D HN -0.311 nan 8.370 nan 0.000 0.437 998 S N 0.647 115.691 115.700 -1.093 0.000 2.574 998 S HA 0.263 4.733 4.470 -0.000 0.000 0.242 998 S C -0.286 174.376 174.600 0.104 0.000 0.982 998 S CA -0.406 57.646 58.200 -0.247 0.000 0.977 998 S CB -0.463 62.809 63.200 0.120 0.000 0.814 998 S HN 0.575 nan 8.310 nan 0.000 0.464 999 W N 0.839 122.080 121.300 -0.099 0.000 2.055 999 W HA 0.521 5.181 4.660 -0.000 0.000 0.293 999 W C 0.013 176.487 176.519 -0.074 0.000 0.886 999 W CA -0.522 56.780 57.345 -0.073 0.000 1.384 999 W CB -0.522 28.836 29.460 -0.170 0.000 1.068 999 W HN 0.160 nan 8.180 nan 0.000 0.513 1000 S N -0.941 114.612 115.700 -0.246 0.000 2.570 1000 S HA 0.637 5.107 4.470 -0.000 0.000 0.270 1000 S C -3.078 171.432 174.600 -0.151 0.000 1.149 1000 S CA -1.691 56.417 58.200 -0.152 0.000 0.837 1000 S CB 1.649 64.763 63.200 -0.143 0.000 1.124 1000 S HN -0.220 nan 8.310 nan 0.000 0.465 1001 P HA 0.153 nan 4.420 nan 0.000 0.261 1001 P C 0.243 177.526 177.300 -0.027 0.000 1.183 1001 P CA 0.263 63.311 63.100 -0.086 0.000 0.761 1001 P CB 0.586 32.136 31.700 -0.250 0.000 0.785 1002 S N 1.502 117.235 115.700 0.055 0.000 3.031 1002 S HA 0.188 4.658 4.470 -0.000 0.000 0.253 1002 S C -0.122 174.530 174.600 0.086 0.000 0.996 1002 S CA -0.397 57.819 58.200 0.027 0.000 1.098 1002 S CB -0.243 62.922 63.200 -0.059 0.000 1.042 1002 S HN 0.078 nan 8.310 nan 0.000 0.593 1003 V N 3.792 123.820 119.914 0.190 0.000 2.407 1003 V HA 0.545 4.665 4.120 -0.000 0.000 0.278 1003 V C 0.857 177.083 176.094 0.219 0.000 1.037 1003 V CA -0.280 62.128 62.300 0.180 0.000 0.900 1003 V CB 1.219 33.159 31.823 0.194 0.000 0.983 1003 V HN 0.713 nan 8.190 nan 0.000 0.459 1004 S N 4.726 120.550 115.700 0.206 0.000 2.596 1004 S HA 0.382 4.852 4.470 -0.000 0.000 0.260 1004 S C 1.445 176.229 174.600 0.307 0.000 1.336 1004 S CA 0.105 58.451 58.200 0.242 0.000 0.993 1004 S CB 1.277 64.599 63.200 0.202 0.000 0.923 1004 S HN 1.025 nan 8.310 nan 0.000 0.567 1005 A N 1.197 124.153 122.820 0.227 0.000 1.883 1005 A HA -0.100 4.220 4.320 -0.000 0.000 0.217 1005 A C 1.860 179.546 177.584 0.169 0.000 1.186 1005 A CA 1.782 53.941 52.037 0.203 0.000 0.624 1005 A CB -1.413 17.673 19.000 0.143 0.000 0.822 1005 A HN 0.957 nan 8.150 nan 0.000 0.444 1006 E N -0.715 119.554 120.200 0.116 0.000 2.448 1006 E HA -0.151 4.199 4.350 -0.000 0.000 0.203 1006 E C 0.180 176.555 176.600 -0.375 0.000 1.046 1006 E CA 0.960 57.277 56.400 -0.138 0.000 0.871 1006 E CB -0.503 29.009 29.700 -0.314 0.000 0.790 1006 E HN 0.718 nan 8.360 nan 0.000 0.545 1007 F N 0.345 120.365 119.950 0.117 0.000 2.805 1007 F HA 0.303 4.830 4.527 -0.000 0.000 0.317 1007 F C 0.069 175.942 175.800 0.122 0.000 1.146 1007 F CA -0.496 57.575 58.000 0.118 0.000 1.265 1007 F CB 0.329 39.393 39.000 0.107 0.000 0.992 1007 F HN -0.185 nan 8.300 nan 0.000 0.511 1008 Q N 0.997 120.938 119.800 0.236 0.000 2.337 1008 Q HA 0.482 4.822 4.340 -0.000 0.000 0.266 1008 Q C -0.342 175.737 176.000 0.132 0.000 1.023 1008 Q CA -0.685 55.265 55.803 0.244 0.000 0.829 1008 Q CB 2.597 31.590 28.738 0.425 0.000 1.306 1008 Q HN 0.216 nan 8.270 nan 0.000 0.449 1009 L N 2.706 123.992 121.223 0.105 0.000 2.505 1009 L HA 0.050 4.390 4.340 -0.000 0.000 0.279 1009 L C 0.607 177.438 176.870 -0.065 0.000 1.211 1009 L CA 0.175 55.043 54.840 0.046 0.000 1.059 1009 L CB -0.469 41.533 42.059 -0.096 0.000 1.340 1009 L HN 0.749 nan 8.230 nan 0.000 0.447 1010 S N -0.708 114.923 115.700 -0.114 0.000 2.666 1010 S HA 0.147 4.617 4.470 -0.000 0.000 0.239 1010 S C 1.692 176.209 174.600 -0.139 0.000 1.031 1010 S CA 0.179 58.135 58.200 -0.408 0.000 1.015 1010 S CB 0.777 63.698 63.200 -0.465 0.000 0.981 1010 S HN 0.523 nan 8.310 nan 0.000 0.547 1011 A N 2.069 124.838 122.820 -0.085 0.000 1.948 1011 A HA 0.332 4.652 4.320 -0.000 0.000 0.220 1011 A C 2.215 179.616 177.584 -0.306 0.000 1.177 1011 A CA 1.951 53.777 52.037 -0.352 0.000 0.636 1011 A CB -1.416 17.155 19.000 -0.715 0.000 0.815 1011 A HN 1.632 nan 8.150 nan 0.000 0.449 1012 G N -2.119 106.578 108.800 -0.172 0.000 2.317 1012 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.227 1012 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.227 1012 G C 0.380 175.246 174.900 -0.056 0.000 1.042 1012 G CA 0.323 45.396 45.100 -0.044 0.000 0.623 1012 G HN 0.738 nan 8.290 nan 0.000 0.509 1013 R N -0.432 119.900 120.500 -0.280 0.000 2.514 1013 R HA 0.616 4.955 4.340 -0.000 0.000 0.296 1013 R C -1.621 174.396 176.300 -0.471 0.000 1.012 1013 R CA -0.592 55.396 56.100 -0.186 0.000 0.897 1013 R CB 1.449 31.689 30.300 -0.099 0.000 1.184 1013 R HN 0.209 nan 8.270 nan 0.000 0.440 1014 Y N 0.502 120.782 120.300 -0.033 0.000 2.446 1014 Y HA 0.369 4.919 4.550 -0.000 0.000 0.345 1014 Y C -0.244 175.804 175.900 0.247 0.000 0.984 1014 Y CA -0.850 57.194 58.100 -0.092 0.000 1.058 1014 Y CB 2.107 40.319 38.460 -0.413 0.000 1.220 1014 Y HN 0.555 nan 8.280 nan 0.000 0.455 1015 H N 3.127 122.479 119.070 0.469 0.000 2.840 1015 H HA 0.525 5.081 4.556 -0.000 0.000 0.340 1015 H C -1.841 173.841 175.328 0.590 0.000 1.004 1015 H CA -0.870 55.421 56.048 0.405 0.000 1.288 1015 H CB 0.805 30.706 29.762 0.231 0.000 1.607 1015 H HN 0.558 nan 8.280 nan 0.000 0.522 1016 Y N 1.702 121.911 120.300 -0.152 0.000 2.544 1016 Y HA 0.545 5.095 4.550 -0.000 0.000 0.342 1016 Y C -1.646 174.127 175.900 -0.213 0.000 1.062 1016 Y CA -1.130 56.931 58.100 -0.065 0.000 1.023 1016 Y CB 1.290 39.769 38.460 0.031 0.000 1.308 1016 Y HN 0.581 nan 8.280 nan 0.000 0.457 1017 Q N 3.170 122.968 119.800 -0.003 0.000 2.377 1017 Q HA 0.786 5.126 4.340 -0.000 0.000 0.271 1017 Q C -1.404 174.648 176.000 0.087 0.000 1.077 1017 Q CA -0.980 54.807 55.803 -0.027 0.000 0.820 1017 Q CB 3.272 32.053 28.738 0.073 0.000 1.347 1017 Q HN 0.740 nan 8.270 nan 0.000 0.444 1018 L N 0.772 122.028 121.223 0.054 0.000 2.303 1018 L HA 0.776 5.116 4.340 -0.000 0.000 0.256 1018 L C -1.199 175.762 176.870 0.153 0.000 1.034 1018 L CA -1.228 53.672 54.840 0.101 0.000 0.832 1018 L CB 2.575 44.678 42.059 0.073 0.000 1.403 1018 L HN 0.382 nan 8.230 nan 0.000 0.419 1019 V N 0.262 120.304 119.914 0.213 0.000 2.655 1019 V HA 0.343 4.463 4.120 -0.000 0.000 0.301 1019 V C -1.652 174.626 176.094 0.307 0.000 1.082 1019 V CA -0.509 61.931 62.300 0.232 0.000 0.899 1019 V CB 2.347 34.282 31.823 0.187 0.000 1.014 1019 V HN 0.632 nan 8.190 nan 0.000 0.429 1020 W N 7.073 128.415 121.300 0.070 0.000 2.475 1020 W HA 0.758 5.418 4.660 -0.000 0.000 0.320 1020 W C -0.274 176.230 176.519 -0.024 0.000 1.022 1020 W CA -1.304 56.005 57.345 -0.060 0.000 1.240 1020 W CB 1.500 30.963 29.460 0.004 0.000 1.328 1020 W HN 0.855 nan 8.180 nan 0.000 0.439 1021 C N 3.782 123.316 119.300 0.389 0.000 2.913 1021 C HA 0.875 5.335 4.460 -0.000 0.000 0.322 1021 C C -0.416 174.649 174.990 0.126 0.000 1.292 1021 C CA -0.686 58.453 59.018 0.201 0.000 1.649 1021 C CB 1.672 29.486 27.740 0.124 0.000 2.139 1021 C HN 0.611 nan 8.230 nan 0.000 0.475 1022 Q N 0.116 119.926 119.800 0.016 0.000 2.633 1022 Q HA 0.834 5.174 4.340 -0.000 0.000 0.292 1022 Q C -0.893 175.062 176.000 -0.075 0.000 1.089 1022 Q CA -0.408 55.336 55.803 -0.099 0.000 0.811 1022 Q CB 1.874 30.505 28.738 -0.178 0.000 1.472 1022 Q HN 0.807 nan 8.270 nan 0.000 0.464 1023 K N 0.000 120.333 120.400 -0.112 0.000 2.780 1023 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 1023 K CA 0.000 56.244 56.287 -0.072 0.000 0.838 1023 K CB 0.000 32.469 32.500 -0.052 0.000 1.064 1023 K HN 0.000 nan 8.250 nan 0.000 0.543