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 1jz1_1_P 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 SEMDFXIELG DATA SEQUENCE NKRWQFNRQS GFLSQMWIGD KKQLLTPLRD QFTRAPLDND IGVSEATRID DATA SEQUENCE PNAWVERWKA AGHYQAEAAL LQCTADTLAD AVLITTAHAW QHQGKTLFIS DATA SEQUENCE RKTYRIDGSG QMAITVDVEV ASDTPHPARI GLNCQLAQVA ERVNWLGLGP DATA SEQUENCE QENYPDRLTA AXFDRWDLPL SDMYTPYVFP SENGLRCGTR ELNYGPHQWR DATA SEQUENCE GDFQFNISRY SQQQLMETSH RHLLHAEEGT WLNIDGFHMG IGGDDSWSPS DATA SEQUENCE VSAEFQLSAG RYHYQLVWXQ 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 0.000 176.143 176.117 0.043 0.000 1.063 3 I CA 0.000 61.325 61.300 0.041 0.000 1.566 3 I CB 0.000 38.016 38.000 0.027 0.000 1.214 4 T N -1.957 112.629 114.554 0.053 0.000 3.100 4 T HA 0.205 4.555 4.350 0.000 0.000 0.253 4 T C 0.791 175.528 174.700 0.062 0.000 1.118 4 T CA 0.998 63.117 62.100 0.031 0.000 1.058 4 T CB -0.466 68.417 68.868 0.026 0.000 0.953 4 T HN 0.313 nan 8.240 nan 0.000 0.515 5 D N 2.305 122.798 120.400 0.156 0.000 2.340 5 D HA 0.088 4.728 4.640 0.000 0.000 0.220 5 D C 0.975 177.473 176.300 0.330 0.000 1.039 5 D CA 0.121 54.324 54.000 0.337 0.000 0.866 5 D CB 0.000 41.050 40.800 0.417 0.000 0.913 5 D HN 0.564 nan 8.370 nan 0.000 0.523 6 S N 0.310 116.093 115.700 0.139 0.000 2.549 6 S HA 0.046 4.516 4.470 0.000 0.000 0.283 6 S C 1.373 176.021 174.600 0.080 0.000 1.320 6 S CA -0.648 57.595 58.200 0.073 0.000 1.058 6 S CB 1.070 64.285 63.200 0.025 0.000 0.882 6 S HN -0.116 nan 8.310 nan 0.000 0.498 7 L N 4.145 125.399 121.223 0.051 0.000 1.997 7 L HA -0.127 4.213 4.340 0.000 0.000 0.216 7 L C 3.017 179.905 176.870 0.030 0.000 1.074 7 L CA 2.600 57.477 54.840 0.061 0.000 0.763 7 L CB -1.791 40.262 42.059 -0.009 0.000 0.890 7 L HN 1.000 nan 8.230 nan 0.000 0.434 8 A N -1.378 121.448 122.820 0.010 0.000 1.940 8 A HA -0.238 4.082 4.320 0.000 0.000 0.221 8 A C 2.490 180.070 177.584 -0.006 0.000 1.190 8 A CA 2.436 54.476 52.037 0.005 0.000 0.647 8 A CB -1.064 17.935 19.000 -0.001 0.000 0.821 8 A HN 0.263 nan 8.150 nan 0.000 0.457 9 V N -0.913 118.988 119.914 -0.022 0.000 2.273 9 V HA -0.164 3.956 4.120 0.000 0.000 0.242 9 V C 2.572 178.596 176.094 -0.117 0.000 1.035 9 V CA 1.721 63.986 62.300 -0.058 0.000 1.013 9 V CB -0.393 31.401 31.823 -0.050 0.000 0.652 9 V HN 0.368 nan 8.190 nan 0.000 0.452 10 V N 0.683 120.499 119.914 -0.165 0.000 2.231 10 V HA -0.305 3.815 4.120 0.000 0.000 0.250 10 V C 2.187 178.168 176.094 -0.188 0.000 1.058 10 V CA 2.340 64.432 62.300 -0.347 0.000 1.022 10 V CB -0.755 30.802 31.823 -0.443 0.000 0.640 10 V HN 0.494 nan 8.190 nan 0.000 0.445 11 L N 0.352 121.568 121.223 -0.011 0.000 2.633 11 L HA -0.123 4.217 4.340 0.000 0.000 0.235 11 L C 2.384 179.334 176.870 0.133 0.000 1.163 11 L CA 0.813 55.788 54.840 0.226 0.000 0.859 11 L CB -0.799 41.432 42.059 0.286 0.000 0.973 11 L HN 0.431 nan 8.230 nan 0.000 0.451 12 Q N 1.043 120.843 119.800 -0.000 0.000 2.079 12 Q HA -0.149 4.191 4.340 0.000 0.000 0.200 12 Q C 2.312 178.253 176.000 -0.098 0.000 0.974 12 Q CA 1.493 57.276 55.803 -0.034 0.000 0.840 12 Q CB -0.044 28.662 28.738 -0.054 0.000 0.898 12 Q HN 0.223 nan 8.270 nan 0.000 0.430 13 R N 0.370 120.788 120.500 -0.136 0.000 2.105 13 R HA -0.006 4.334 4.340 0.000 0.000 0.239 13 R C 0.339 176.443 176.300 -0.327 0.000 1.135 13 R CA 1.156 57.141 56.100 -0.193 0.000 0.967 13 R CB -0.264 29.922 30.300 -0.190 0.000 0.861 13 R HN 0.355 nan 8.270 nan 0.000 0.442 14 R N 0.751 120.945 120.500 -0.511 0.000 3.261 14 R HA -0.126 4.214 4.340 0.000 0.000 0.257 14 R C -0.050 175.695 176.300 -0.925 0.000 1.014 14 R CA 0.412 55.734 56.100 -1.297 0.000 0.681 14 R CB -1.206 28.543 30.300 -0.919 0.000 1.155 14 R HN 0.335 nan 8.270 nan 0.000 0.424 15 D N -0.277 119.803 120.400 -0.534 0.000 2.182 15 D HA -0.191 4.449 4.640 0.000 0.000 0.201 15 D C 1.606 177.850 176.300 -0.093 0.000 0.986 15 D CA 1.843 55.631 54.000 -0.353 0.000 0.847 15 D CB -0.153 40.231 40.800 -0.692 0.000 0.942 15 D HN 0.731 nan 8.370 nan 0.000 0.467 16 W N 1.595 122.934 121.300 0.064 0.000 3.204 16 W HA 0.133 4.793 4.660 0.000 0.000 0.249 16 W C 0.457 177.090 176.519 0.190 0.000 1.322 16 W CA -0.114 57.369 57.345 0.229 0.000 1.593 16 W CB -0.245 29.380 29.460 0.275 0.000 1.122 16 W HN -0.166 nan 8.180 nan 0.000 0.710 17 E N 0.942 120.972 120.200 -0.284 0.000 2.995 17 E HA 0.058 4.408 4.350 0.000 0.000 0.203 17 E C -0.774 175.719 176.600 -0.180 0.000 0.980 17 E CA -0.224 56.091 56.400 -0.141 0.000 1.172 17 E CB -0.179 29.474 29.700 -0.078 0.000 1.088 17 E HN 0.094 nan 8.360 nan 0.000 0.463 18 N N 1.226 119.840 118.700 -0.145 0.000 2.594 18 N HA 0.136 4.876 4.740 0.000 0.000 0.280 18 N C -2.242 173.150 175.510 -0.197 0.000 1.156 18 N CA -1.951 50.980 53.050 -0.200 0.000 0.831 18 N CB 1.479 39.852 38.487 -0.190 0.000 1.379 18 N HN -0.234 nan 8.380 nan 0.000 0.536 19 P HA -0.047 nan 4.420 nan 0.000 0.220 19 P C 1.176 178.248 177.300 -0.380 0.000 1.144 19 P CA 1.058 63.833 63.100 -0.541 0.000 0.800 19 P CB 0.131 31.064 31.700 -1.278 0.000 0.772 20 G N -0.595 108.020 108.800 -0.309 0.000 2.484 20 G HA2 0.001 3.961 3.960 0.000 0.000 0.218 20 G HA3 0.001 3.961 3.960 0.000 0.000 0.218 20 G C 0.355 175.184 174.900 -0.118 0.000 1.130 20 G CA 0.208 45.182 45.100 -0.211 0.000 0.784 20 G HN 0.239 nan 8.290 nan 0.000 0.543 21 V N 1.222 121.088 119.914 -0.080 0.000 2.350 21 V HA 0.401 4.521 4.120 0.000 0.000 0.285 21 V C 0.854 177.016 176.094 0.114 0.000 1.014 21 V CA 0.183 62.491 62.300 0.014 0.000 0.831 21 V CB 1.309 33.136 31.823 0.006 0.000 1.000 21 V HN 0.299 nan 8.190 nan 0.000 0.433 22 T N 0.753 115.362 114.554 0.091 0.000 3.003 22 T HA 0.354 4.704 4.350 0.000 0.000 0.261 22 T C 0.236 174.962 174.700 0.044 0.000 1.003 22 T CA 0.235 62.383 62.100 0.080 0.000 0.917 22 T CB 0.401 69.275 68.868 0.009 0.000 1.084 22 T HN 0.704 nan 8.240 nan 0.000 0.522 23 Q N 0.394 120.267 119.800 0.121 0.000 2.687 23 Q HA 0.702 5.042 4.340 0.000 0.000 0.295 23 Q C -2.251 173.877 176.000 0.214 0.000 0.920 23 Q CA -1.065 54.799 55.803 0.100 0.000 0.766 23 Q CB 0.981 29.701 28.738 -0.029 0.000 1.467 23 Q HN 0.239 nan 8.270 nan 0.000 0.415 24 L N 1.730 123.102 121.223 0.247 0.000 2.528 24 L HA 0.560 4.900 4.340 0.000 0.000 0.267 24 L C -0.748 176.266 176.870 0.239 0.000 0.961 24 L CA -0.841 54.161 54.840 0.270 0.000 0.866 24 L CB 1.920 44.243 42.059 0.440 0.000 1.248 24 L HN 0.858 nan 8.230 nan 0.000 0.404 25 N N 0.888 119.687 118.700 0.165 0.000 2.741 25 N HA -0.219 4.521 4.740 0.000 0.000 0.251 25 N C 0.179 175.768 175.510 0.131 0.000 1.112 25 N CA 0.816 53.962 53.050 0.160 0.000 0.750 25 N CB -0.767 37.809 38.487 0.148 0.000 1.119 25 N HN 0.694 nan 8.380 nan 0.000 0.561 26 R N 1.162 121.614 120.500 -0.082 0.000 2.390 26 R HA 0.401 4.741 4.340 0.000 0.000 0.291 26 R C 0.774 176.902 176.300 -0.286 0.000 1.070 26 R CA -0.443 55.339 56.100 -0.529 0.000 1.014 26 R CB 0.611 30.602 30.300 -0.515 0.000 1.007 26 R HN 0.110 nan 8.270 nan 0.000 0.466 27 L N 2.572 123.613 121.223 -0.303 0.000 2.456 27 L HA 0.279 4.619 4.340 0.000 0.000 0.246 27 L C 0.751 177.577 176.870 -0.073 0.000 1.238 27 L CA -0.507 54.266 54.840 -0.111 0.000 0.826 27 L CB 0.226 42.261 42.059 -0.039 0.000 1.150 27 L HN 0.739 nan 8.230 nan 0.000 0.514 28 A N 0.240 123.066 122.820 0.010 0.000 2.322 28 A HA 0.615 4.935 4.320 0.000 0.000 0.269 28 A C 0.106 177.753 177.584 0.105 0.000 1.094 28 A CA -0.175 51.886 52.037 0.039 0.000 0.807 28 A CB 0.546 19.586 19.000 0.067 0.000 1.047 28 A HN 0.758 nan 8.150 nan 0.000 0.487 29 A N 0.827 123.664 122.820 0.027 0.000 2.332 29 A HA 0.692 5.012 4.320 0.000 0.000 0.258 29 A C 0.066 177.645 177.584 -0.008 0.000 1.087 29 A CA 0.568 52.562 52.037 -0.071 0.000 0.802 29 A CB -0.114 18.816 19.000 -0.118 0.000 1.042 29 A HN 2.036 nan 8.150 nan 0.000 0.489 30 H N -2.455 116.529 119.070 -0.143 0.000 2.921 30 H HA 0.545 5.101 4.556 0.000 0.000 0.287 30 H C -3.418 171.683 175.328 -0.378 0.000 1.434 30 H CA -1.508 54.410 56.048 -0.216 0.000 1.178 30 H CB 0.065 29.704 29.762 -0.204 0.000 1.836 30 H HN 0.428 nan 8.280 nan 0.000 0.495 31 P HA 0.209 nan 4.420 nan 0.000 0.272 31 P C -2.609 174.402 177.300 -0.482 0.000 1.240 31 P CA -1.525 61.347 63.100 -0.380 0.000 0.791 31 P CB -0.406 31.056 31.700 -0.395 0.000 0.978 32 P HA 0.073 nan 4.420 nan 0.000 0.261 32 P C -0.769 176.539 177.300 0.013 0.000 1.183 32 P CA 1.005 64.013 63.100 -0.153 0.000 0.761 32 P CB -0.180 31.516 31.700 -0.006 0.000 0.785 33 F N 1.235 121.315 119.950 0.217 0.000 2.538 33 F HA 0.597 5.124 4.527 0.000 0.000 0.325 33 F C 1.138 176.916 175.800 -0.036 0.000 1.066 33 F CA -0.962 57.112 58.000 0.123 0.000 0.946 33 F CB 1.997 41.032 39.000 0.057 0.000 1.199 33 F HN 0.223 nan 8.300 nan 0.000 0.473 34 A N 0.253 123.093 122.820 0.032 0.000 2.140 34 A HA 0.274 4.594 4.320 0.000 0.000 0.199 34 A C 0.879 178.250 177.584 -0.355 0.000 1.416 34 A CA 0.611 52.402 52.037 -0.410 0.000 1.018 34 A CB -0.065 18.117 19.000 -1.364 0.000 1.117 34 A HN 0.820 nan 8.150 nan 0.000 0.480 35 S N -0.594 115.009 115.700 -0.161 0.000 3.748 35 S HA -0.131 4.339 4.470 0.000 0.000 0.329 35 S C 0.018 174.597 174.600 -0.036 0.000 1.104 35 S CA 0.389 58.523 58.200 -0.110 0.000 0.954 35 S CB -1.848 61.254 63.200 -0.164 0.000 0.910 35 S HN 0.504 nan 8.310 nan 0.000 0.494 36 W N 1.121 122.425 121.300 0.007 0.000 2.226 36 W HA 0.116 4.776 4.660 0.000 0.000 0.352 36 W C 1.584 178.102 176.519 -0.002 0.000 1.277 36 W CA -0.008 57.345 57.345 0.014 0.000 1.305 36 W CB 0.104 29.572 29.460 0.013 0.000 1.193 36 W HN 0.354 nan 8.180 nan 0.000 0.596 37 R N 1.222 121.891 120.500 0.282 0.000 2.535 37 R HA 0.084 4.424 4.340 0.000 0.000 0.323 37 R C 0.035 176.418 176.300 0.139 0.000 0.979 37 R CA -0.086 56.111 56.100 0.161 0.000 1.120 37 R CB 0.359 30.723 30.300 0.107 0.000 1.306 37 R HN 0.407 nan 8.270 nan 0.000 0.540 38 N N 0.899 119.701 118.700 0.170 0.000 2.454 38 N HA -0.011 4.729 4.740 0.000 0.000 0.291 38 N C 0.584 176.082 175.510 -0.021 0.000 1.079 38 N CA 0.168 53.262 53.050 0.073 0.000 0.893 38 N CB 2.110 40.635 38.487 0.062 0.000 1.512 38 N HN -0.080 nan 8.380 nan 0.000 0.497 39 S N 3.250 118.918 115.700 -0.055 0.000 2.369 39 S HA -0.218 4.252 4.470 0.000 0.000 0.225 39 S C 1.297 175.748 174.600 -0.249 0.000 1.043 39 S CA 1.340 59.461 58.200 -0.132 0.000 1.074 39 S CB -0.331 62.826 63.200 -0.073 0.000 0.962 39 S HN 0.666 nan 8.310 nan 0.000 0.433 40 E N 1.248 121.331 120.200 -0.196 0.000 2.086 40 E HA -0.177 4.173 4.350 0.000 0.000 0.200 40 E C 2.223 178.649 176.600 -0.290 0.000 1.012 40 E CA 1.683 57.937 56.400 -0.243 0.000 0.812 40 E CB -0.620 28.987 29.700 -0.155 0.000 0.743 40 E HN 0.778 nan 8.360 nan 0.000 0.453 41 E N 0.214 120.274 120.200 -0.233 0.000 2.038 41 E HA -0.194 4.156 4.350 0.000 0.000 0.195 41 E C 2.055 178.234 176.600 -0.700 0.000 1.000 41 E CA 1.169 57.441 56.400 -0.213 0.000 0.803 41 E CB -0.157 29.603 29.700 0.099 0.000 0.750 41 E HN 0.232 nan 8.360 nan 0.000 0.448 42 A N 1.579 123.585 122.820 -1.357 0.000 1.877 42 A HA -0.236 4.084 4.320 0.000 0.000 0.216 42 A C 2.121 179.064 177.584 -1.068 0.000 1.186 42 A CA 1.803 52.488 52.037 -2.253 0.000 0.620 42 A CB -0.582 17.532 19.000 -1.476 0.000 0.822 42 A HN 0.137 nan 8.150 nan 0.000 0.443 43 R N -0.108 119.990 120.500 -0.670 0.000 2.127 43 R HA -0.135 4.205 4.340 0.000 0.000 0.238 43 R C 1.452 177.510 176.300 -0.403 0.000 1.134 43 R CA 2.072 57.865 56.100 -0.512 0.000 0.975 43 R CB -0.419 29.522 30.300 -0.598 0.000 0.865 43 R HN 0.592 nan 8.270 nan 0.000 0.447 44 T N -2.782 111.562 114.554 -0.350 0.000 3.134 44 T HA 0.122 4.472 4.350 0.000 0.000 0.260 44 T C -0.006 174.636 174.700 -0.096 0.000 1.027 44 T CA 0.121 62.102 62.100 -0.198 0.000 0.913 44 T CB 0.265 69.041 68.868 -0.154 0.000 1.046 44 T HN 0.272 nan 8.240 nan 0.000 0.553 45 D N 1.478 121.799 120.400 -0.132 0.000 2.723 45 D HA -0.152 4.488 4.640 0.000 0.000 0.236 45 D C 0.339 176.789 176.300 0.251 0.000 1.138 45 D CA 0.394 54.464 54.000 0.116 0.000 0.676 45 D CB -0.619 40.262 40.800 0.136 0.000 1.069 45 D HN 0.504 nan 8.370 nan 0.000 0.430 46 R N -0.364 120.301 120.500 0.276 0.000 2.745 46 R HA 0.559 4.899 4.340 0.000 0.000 0.251 46 R C -2.083 174.484 176.300 0.445 0.000 1.257 46 R CA -0.941 55.344 56.100 0.308 0.000 1.102 46 R CB -0.373 30.061 30.300 0.224 0.000 1.151 46 R HN 0.136 nan 8.270 nan 0.000 0.571 47 P HA 0.153 nan 4.420 nan 0.000 0.301 47 P C -0.985 176.359 177.300 0.074 0.000 1.337 47 P CA -0.421 62.772 63.100 0.155 0.000 0.889 47 P CB 1.682 33.443 31.700 0.102 0.000 1.050 48 S N 1.843 117.445 115.700 -0.163 0.000 2.508 48 S HA 0.133 4.603 4.470 0.000 0.000 0.284 48 S C 1.048 175.609 174.600 -0.064 0.000 1.192 48 S CA -0.453 57.597 58.200 -0.249 0.000 1.070 48 S CB 0.593 63.358 63.200 -0.725 0.000 1.004 48 S HN 0.320 nan 8.310 nan 0.000 0.493 49 Q N 2.343 122.160 119.800 0.029 0.000 2.369 49 Q HA -0.052 4.288 4.340 0.000 0.000 0.206 49 Q C 0.927 177.071 176.000 0.240 0.000 0.963 49 Q CA 0.520 56.400 55.803 0.128 0.000 0.894 49 Q CB -0.162 28.663 28.738 0.146 0.000 0.965 49 Q HN 0.783 nan 8.270 nan 0.000 0.475 50 Q N 0.529 120.399 119.800 0.116 0.000 2.444 50 Q HA 0.115 4.455 4.340 0.000 0.000 0.206 50 Q C 0.150 176.202 176.000 0.085 0.000 0.948 50 Q CA 0.226 56.075 55.803 0.078 0.000 0.946 50 Q CB -0.056 28.624 28.738 -0.096 0.000 1.027 50 Q HN 0.167 nan 8.270 nan 0.000 0.513 51 L N 1.005 122.297 121.223 0.115 0.000 2.343 51 L HA 0.482 4.822 4.340 0.000 0.000 0.278 51 L C -1.171 175.783 176.870 0.140 0.000 0.996 51 L CA -0.391 54.505 54.840 0.093 0.000 0.831 51 L CB 1.534 43.567 42.059 -0.042 0.000 1.232 51 L HN -0.110 nan 8.230 nan 0.000 0.413 52 R N 2.728 123.333 120.500 0.175 0.000 2.575 52 R HA 0.469 4.809 4.340 0.000 0.000 0.293 52 R C -1.046 175.287 176.300 0.055 0.000 0.983 52 R CA -0.544 55.625 56.100 0.116 0.000 0.887 52 R CB 2.269 32.653 30.300 0.140 0.000 1.184 52 R HN 0.707 nan 8.270 nan 0.000 0.445 53 S N 3.147 118.868 115.700 0.034 0.000 2.562 53 S HA 0.308 4.778 4.470 0.000 0.000 0.275 53 S C 0.857 175.471 174.600 0.023 0.000 1.281 53 S CA -0.528 57.685 58.200 0.023 0.000 1.045 53 S CB 0.565 63.786 63.200 0.035 0.000 0.962 53 S HN 0.566 nan 8.310 nan 0.000 0.503 54 L N 3.493 124.739 121.223 0.039 0.000 2.910 54 L HA 0.299 4.639 4.340 0.000 0.000 0.252 54 L C 0.082 177.154 176.870 0.338 0.000 1.195 54 L CA -0.317 54.587 54.840 0.107 0.000 1.003 54 L CB -0.508 41.589 42.059 0.062 0.000 1.328 54 L HN 0.521 nan 8.230 nan 0.000 0.540 55 N N 1.695 120.511 118.700 0.194 0.000 2.513 55 N HA 0.480 5.220 4.740 0.000 0.000 0.268 55 N C 0.641 176.297 175.510 0.243 0.000 1.180 55 N CA 0.758 53.921 53.050 0.188 0.000 0.948 55 N CB 1.790 40.318 38.487 0.069 0.000 1.083 55 N HN 0.338 nan 8.380 nan 0.000 0.455 56 G N 0.920 109.904 108.800 0.307 0.000 2.403 56 G HA2 -0.050 3.910 3.960 0.000 0.000 0.223 56 G HA3 -0.050 3.910 3.960 0.000 0.000 0.223 56 G C -1.377 173.777 174.900 0.424 0.000 1.287 56 G CA -0.766 44.504 45.100 0.282 0.000 0.982 56 G HN 0.452 nan 8.290 nan 0.000 0.471 57 E N -0.413 119.978 120.200 0.319 0.000 2.338 57 E HA 0.516 4.866 4.350 0.000 0.000 0.272 57 E C -1.061 175.791 176.600 0.420 0.000 1.029 57 E CA 0.038 56.626 56.400 0.314 0.000 0.872 57 E CB 0.774 30.573 29.700 0.167 0.000 1.015 57 E HN 0.390 nan 8.360 nan 0.000 0.417 58 W N 1.397 122.772 121.300 0.125 0.000 3.038 58 W HA 0.408 5.068 4.660 0.000 0.000 0.347 58 W C -0.571 176.049 176.519 0.169 0.000 1.219 58 W CA -0.689 56.759 57.345 0.171 0.000 1.142 58 W CB 1.005 30.614 29.460 0.249 0.000 1.484 58 W HN 0.273 nan 8.180 nan 0.000 0.586 59 R N 1.604 122.362 120.500 0.430 0.000 2.460 59 R HA 0.643 4.983 4.340 0.000 0.000 0.303 59 R C -1.519 174.971 176.300 0.317 0.000 0.968 59 R CA -0.834 55.448 56.100 0.304 0.000 0.889 59 R CB 1.992 32.413 30.300 0.201 0.000 1.123 59 R HN 0.369 nan 8.270 nan 0.000 0.455 60 F N 1.123 121.072 119.950 -0.002 0.000 2.563 60 F HA 0.698 5.225 4.527 0.000 0.000 0.316 60 F C -1.387 174.263 175.800 -0.250 0.000 1.076 60 F CA -0.684 57.172 58.000 -0.240 0.000 0.921 60 F CB 2.089 40.803 39.000 -0.477 0.000 1.209 60 F HN 0.657 nan 8.300 nan 0.000 0.462 61 A N 4.468 126.331 122.820 -1.595 0.000 2.517 61 A HA 0.522 4.842 4.320 0.000 0.000 0.297 61 A C -2.421 174.281 177.584 -1.469 0.000 1.050 61 A CA -0.519 50.784 52.037 -1.224 0.000 0.694 61 A CB 0.524 19.218 19.000 -0.510 0.000 1.277 61 A HN 0.968 nan 8.150 nan 0.000 0.400 62 W N 2.649 123.172 121.300 -1.295 0.000 2.551 62 W HA 0.779 5.439 4.660 0.000 0.000 0.330 62 W C -1.900 174.141 176.519 -0.796 0.000 1.063 62 W CA -0.438 56.365 57.345 -0.903 0.000 1.222 62 W CB 1.204 30.319 29.460 -0.574 0.000 1.349 62 W HN 0.494 nan 8.180 nan 0.000 0.536 63 F N 5.793 125.098 119.950 -1.074 0.000 2.578 63 F HA 0.335 4.862 4.527 0.000 0.000 0.311 63 F C -1.389 173.539 175.800 -1.454 0.000 1.094 63 F CA -2.669 54.817 58.000 -0.857 0.000 0.923 63 F CB 1.478 40.156 39.000 -0.537 0.000 1.230 63 F HN 0.193 nan 8.300 nan 0.000 0.450 64 P HA 0.027 nan 4.420 nan 0.000 0.225 64 P C -0.185 177.015 177.300 -0.167 0.000 1.148 64 P CA 1.118 64.035 63.100 -0.304 0.000 0.779 64 P CB 0.547 32.316 31.700 0.115 0.000 0.780 65 A N -1.242 121.481 122.820 -0.162 0.000 2.599 65 A HA 0.503 4.823 4.320 0.000 0.000 0.294 65 A C -2.411 175.071 177.584 -0.170 0.000 1.055 65 A CA -1.003 50.970 52.037 -0.107 0.000 0.683 65 A CB 0.489 19.489 19.000 -0.001 0.000 1.278 65 A HN -0.289 nan 8.150 nan 0.000 0.412 66 P HA -0.145 nan 4.420 nan 0.000 0.215 66 P C 0.891 178.080 177.300 -0.185 0.000 1.153 66 P CA 1.772 64.723 63.100 -0.248 0.000 0.853 66 P CB 0.199 31.725 31.700 -0.291 0.000 0.788 67 E N 0.713 120.869 120.200 -0.073 0.000 2.070 67 E HA -0.167 4.183 4.350 0.000 0.000 0.197 67 E C 2.270 178.829 176.600 -0.068 0.000 1.004 67 E CA 1.759 58.141 56.400 -0.031 0.000 0.805 67 E CB -1.285 28.432 29.700 0.030 0.000 0.744 67 E HN 0.184 nan 8.360 nan 0.000 0.451 68 A N 1.113 123.899 122.820 -0.057 0.000 2.139 68 A HA -0.098 4.222 4.320 0.000 0.000 0.221 68 A C 0.994 178.466 177.584 -0.188 0.000 1.159 68 A CA 0.560 52.593 52.037 -0.006 0.000 0.662 68 A CB -0.598 18.494 19.000 0.154 0.000 0.796 68 A HN 0.078 nan 8.150 nan 0.000 0.463 69 V N 1.969 121.599 119.914 -0.474 0.000 2.655 69 V HA 0.209 4.329 4.120 0.000 0.000 0.300 69 V C -2.069 173.844 176.094 -0.302 0.000 1.044 69 V CA -1.198 60.654 62.300 -0.747 0.000 1.095 69 V CB 0.638 31.901 31.823 -0.933 0.000 0.952 69 V HN 0.352 nan 8.190 nan 0.000 0.485 70 P HA 0.337 nan 4.420 nan 0.000 0.296 70 P C 0.391 177.682 177.300 -0.016 0.000 1.306 70 P CA -0.547 62.523 63.100 -0.050 0.000 0.818 70 P CB 1.640 33.356 31.700 0.027 0.000 0.969 71 E N 1.872 122.055 120.200 -0.029 0.000 2.169 71 E HA -0.232 4.118 4.350 0.000 0.000 0.202 71 E C 1.634 178.202 176.600 -0.053 0.000 1.016 71 E CA 2.419 58.791 56.400 -0.047 0.000 0.817 71 E CB -0.274 29.398 29.700 -0.046 0.000 0.736 71 E HN 0.453 nan 8.360 nan 0.000 0.462 72 S N -0.232 115.460 115.700 -0.013 0.000 2.400 72 S HA -0.224 4.246 4.470 0.000 0.000 0.232 72 S C 1.441 176.025 174.600 -0.027 0.000 1.025 72 S CA 1.047 59.237 58.200 -0.016 0.000 0.993 72 S CB -0.734 62.481 63.200 0.024 0.000 0.808 72 S HN 0.545 nan 8.310 nan 0.000 0.478 73 W N 2.729 123.940 121.300 -0.149 0.000 2.308 73 W HA -0.177 4.483 4.660 0.000 0.000 0.301 73 W C 1.594 177.995 176.519 -0.196 0.000 1.220 73 W CA 1.043 58.289 57.345 -0.165 0.000 1.240 73 W CB -0.666 28.664 29.460 -0.217 0.000 1.142 73 W HN 0.252 nan 8.180 nan 0.000 0.521 74 L N 0.046 120.961 121.223 -0.513 0.000 2.083 74 L HA -0.214 4.126 4.340 0.000 0.000 0.209 74 L C 2.620 179.206 176.870 -0.474 0.000 1.083 74 L CA 1.520 55.938 54.840 -0.704 0.000 0.752 74 L CB -0.748 40.972 42.059 -0.565 0.000 0.899 74 L HN -0.066 nan 8.230 nan 0.000 0.433 75 E N -1.093 118.930 120.200 -0.296 0.000 2.057 75 E HA 0.053 4.403 4.350 0.000 0.000 0.190 75 E C 0.347 176.854 176.600 -0.155 0.000 0.969 75 E CA 0.512 56.804 56.400 -0.181 0.000 0.812 75 E CB 0.110 29.744 29.700 -0.111 0.000 0.777 75 E HN 0.336 nan 8.360 nan 0.000 0.455 76 C N 1.545 120.770 119.300 -0.125 0.000 2.712 76 C HA 0.371 4.831 4.460 0.000 0.000 0.308 76 C C -0.077 174.906 174.990 -0.012 0.000 1.201 76 C CA -1.327 57.653 59.018 -0.064 0.000 1.554 76 C CB 1.680 29.407 27.740 -0.022 0.000 2.117 76 C HN 0.232 nan 8.230 nan 0.000 0.480 77 D N 1.196 121.608 120.400 0.021 0.000 2.378 77 D HA 0.237 4.877 4.640 0.000 0.000 0.238 77 D C -0.048 176.329 176.300 0.128 0.000 1.180 77 D CA 0.422 54.487 54.000 0.108 0.000 0.895 77 D CB 0.607 41.458 40.800 0.086 0.000 1.192 77 D HN 0.342 nan 8.370 nan 0.000 0.438 78 L N 2.234 123.558 121.223 0.168 0.000 2.439 78 L HA 0.203 4.543 4.340 0.000 0.000 0.259 78 L C -1.107 175.802 176.870 0.065 0.000 1.129 78 L CA -1.567 53.341 54.840 0.115 0.000 0.803 78 L CB 0.584 42.712 42.059 0.115 0.000 1.161 78 L HN 0.236 nan 8.230 nan 0.000 0.462 79 P HA -0.087 nan 4.420 nan 0.000 0.215 79 P C 0.575 177.886 177.300 0.018 0.000 1.157 79 P CA 1.059 64.176 63.100 0.027 0.000 0.856 79 P CB 0.159 31.871 31.700 0.020 0.000 0.786 80 E N 0.037 120.240 120.200 0.005 0.000 2.485 80 E HA 0.274 4.624 4.350 0.000 0.000 0.194 80 E C 0.709 177.293 176.600 -0.026 0.000 1.098 80 E CA -0.126 56.264 56.400 -0.018 0.000 0.878 80 E CB -0.682 28.992 29.700 -0.045 0.000 0.939 80 E HN 0.207 nan 8.360 nan 0.000 0.503 81 A N 1.131 123.950 122.820 -0.001 0.000 2.351 81 A HA 0.207 4.527 4.320 0.000 0.000 0.257 81 A C -0.095 177.513 177.584 0.040 0.000 1.087 81 A CA -0.427 51.610 52.037 -0.001 0.000 0.798 81 A CB 0.490 19.518 19.000 0.046 0.000 1.033 81 A HN 0.060 nan 8.150 nan 0.000 0.488 82 D N 0.002 120.447 120.400 0.075 0.000 2.299 82 D HA 0.433 5.073 4.640 0.000 0.000 0.243 82 D C -0.746 175.639 176.300 0.143 0.000 0.982 82 D CA -0.098 53.977 54.000 0.125 0.000 0.924 82 D CB 1.741 42.670 40.800 0.214 0.000 1.238 82 D HN 0.418 nan 8.370 nan 0.000 0.484 83 T N 0.874 115.499 114.554 0.118 0.000 2.799 83 T HA 0.473 4.823 4.350 0.000 0.000 0.286 83 T C -0.124 174.645 174.700 0.114 0.000 0.973 83 T CA -0.389 61.788 62.100 0.127 0.000 1.035 83 T CB 1.051 69.977 68.868 0.096 0.000 0.932 83 T HN 0.059 nan 8.240 nan 0.000 0.469 84 V N 3.250 123.259 119.914 0.158 0.000 3.078 84 V HA 0.501 4.621 4.120 0.000 0.000 0.311 84 V C -0.382 175.810 176.094 0.164 0.000 1.138 84 V CA -0.954 61.404 62.300 0.098 0.000 1.007 84 V CB 2.440 34.313 31.823 0.084 0.000 1.045 84 V HN 0.639 nan 8.190 nan 0.000 0.432 85 V N 2.384 122.362 119.914 0.107 0.000 2.509 85 V HA 0.524 4.644 4.120 0.000 0.000 0.284 85 V C -0.204 175.940 176.094 0.085 0.000 1.047 85 V CA -0.378 61.995 62.300 0.122 0.000 0.952 85 V CB 1.554 33.424 31.823 0.077 0.000 0.988 85 V HN 0.562 nan 8.190 nan 0.000 0.469 86 V N 7.036 126.945 119.914 -0.008 0.000 2.540 86 V HA 0.518 4.638 4.120 0.000 0.000 0.302 86 V C -2.247 173.756 176.094 -0.152 0.000 1.035 86 V CA -1.568 60.606 62.300 -0.210 0.000 0.873 86 V CB 2.659 34.027 31.823 -0.758 0.000 0.992 86 V HN 0.797 nan 8.190 nan 0.000 0.428 87 P HA 0.657 nan 4.420 nan 0.000 0.281 87 P C -0.991 176.266 177.300 -0.072 0.000 1.264 87 P CA -0.373 62.635 63.100 -0.154 0.000 0.824 87 P CB 1.850 33.460 31.700 -0.150 0.000 1.092 88 S N -0.554 115.128 115.700 -0.030 0.000 2.656 88 S HA 0.386 4.856 4.470 0.000 0.000 0.265 88 S C -1.522 173.065 174.600 -0.021 0.000 1.110 88 S CA -0.995 57.186 58.200 -0.032 0.000 0.821 88 S CB 0.007 63.214 63.200 0.011 0.000 1.099 88 S HN 0.366 nan 8.310 nan 0.000 0.471 89 N N 0.979 119.589 118.700 -0.151 0.000 2.392 89 N HA 0.469 5.209 4.740 0.000 0.000 0.283 89 N C 0.385 175.767 175.510 -0.214 0.000 1.003 89 N CA -0.734 52.192 53.050 -0.207 0.000 0.892 89 N CB 0.796 39.103 38.487 -0.300 0.000 1.193 89 N HN 0.827 nan 8.380 nan 0.000 0.487 90 W N 2.737 123.921 121.300 -0.194 0.000 2.392 90 W HA -0.060 4.600 4.660 0.000 0.000 0.279 90 W C 0.863 177.368 176.519 -0.022 0.000 1.225 90 W CA 0.902 58.145 57.345 -0.170 0.000 1.233 90 W CB -0.368 28.906 29.460 -0.309 0.000 1.122 90 W HN 0.485 nan 8.180 nan 0.000 0.561 91 Q N 0.418 120.216 119.800 -0.002 0.000 2.291 91 Q HA -0.120 4.220 4.340 0.000 0.000 0.206 91 Q C 1.981 177.957 176.000 -0.039 0.000 0.976 91 Q CA 1.516 57.341 55.803 0.036 0.000 0.875 91 Q CB -0.684 27.951 28.738 -0.171 0.000 0.927 91 Q HN 0.212 nan 8.270 nan 0.000 0.450 92 M N -0.780 118.717 119.600 -0.172 0.000 2.630 92 M HA -0.043 4.437 4.480 0.000 0.000 0.254 92 M C 0.326 176.558 176.300 -0.113 0.000 1.092 92 M CA 1.230 56.394 55.300 -0.227 0.000 1.087 92 M CB -0.539 31.847 32.600 -0.357 0.000 1.453 92 M HN 0.329 nan 8.290 nan 0.000 0.509 93 H N -1.754 117.377 119.070 0.101 0.000 2.581 93 H HA 0.381 4.937 4.556 0.000 0.000 0.275 93 H C 1.275 176.510 175.328 -0.155 0.000 1.126 93 H CA 0.100 56.180 56.048 0.054 0.000 1.097 93 H CB 0.539 30.464 29.762 0.271 0.000 1.626 93 H HN 0.465 nan 8.280 nan 0.000 0.565 94 G N 0.581 109.402 108.800 0.035 0.000 2.199 94 G HA2 -0.425 3.535 3.960 0.000 0.000 0.254 94 G HA3 -0.425 3.535 3.960 0.000 0.000 0.254 94 G C 0.632 175.433 174.900 -0.166 0.000 0.982 94 G CA 0.628 45.665 45.100 -0.105 0.000 0.632 94 G HN 0.470 nan 8.290 nan 0.000 0.529 95 Y N 1.998 122.319 120.300 0.036 0.000 2.151 95 Y HA 0.160 4.710 4.550 0.000 0.000 0.284 95 Y C 1.761 177.451 175.900 -0.349 0.000 1.166 95 Y CA 1.749 59.735 58.100 -0.190 0.000 1.163 95 Y CB -0.190 38.155 38.460 -0.192 0.000 0.974 95 Y HN 0.681 nan 8.280 nan 0.000 0.511 96 D N -2.583 117.939 120.400 0.202 0.000 2.768 96 D HA 0.510 5.150 4.640 0.000 0.000 0.327 96 D C -1.183 175.236 176.300 0.198 0.000 1.302 96 D CA -0.700 53.418 54.000 0.196 0.000 0.897 96 D CB 0.651 41.717 40.800 0.444 0.000 1.420 96 D HN 0.032 nan 8.370 nan 0.000 0.494 97 A N -0.296 122.641 122.820 0.196 0.000 2.327 97 A HA 0.686 5.006 4.320 0.000 0.000 0.283 97 A C -2.402 175.230 177.584 0.081 0.000 1.127 97 A CA -1.059 51.071 52.037 0.154 0.000 0.810 97 A CB 0.018 19.154 19.000 0.227 0.000 1.066 97 A HN 0.478 nan 8.150 nan 0.000 0.492 98 P HA 0.569 nan 4.420 nan 0.000 0.286 98 P C -1.050 176.380 177.300 0.216 0.000 1.261 98 P CA -0.201 62.841 63.100 -0.097 0.000 0.821 98 P CB 0.969 32.346 31.700 -0.538 0.000 1.013 99 I N 2.379 123.171 120.570 0.369 0.000 2.474 99 I HA 0.321 4.491 4.170 0.000 0.000 0.294 99 I C -0.442 175.892 176.117 0.361 0.000 1.005 99 I CA -0.809 60.723 61.300 0.387 0.000 1.113 99 I CB 1.468 39.617 38.000 0.247 0.000 1.289 99 I HN 0.273 nan 8.210 nan 0.000 0.436 100 Y N 5.387 125.680 120.300 -0.012 0.000 2.712 100 Y HA 0.583 5.133 4.550 0.000 0.000 0.328 100 Y C -0.343 175.416 175.900 -0.234 0.000 0.995 100 Y CA -0.291 57.515 58.100 -0.490 0.000 1.283 100 Y CB 0.905 38.415 38.460 -1.584 0.000 1.092 100 Y HN 0.631 nan 8.280 nan 0.000 0.519 101 T N 4.175 118.210 114.554 -0.866 0.000 2.887 101 T HA 0.253 4.603 4.350 0.000 0.000 0.288 101 T C 0.370 174.586 174.700 -0.806 0.000 1.021 101 T CA -0.541 61.094 62.100 -0.775 0.000 1.000 101 T CB 1.417 70.061 68.868 -0.373 0.000 1.034 101 T HN 0.869 nan 8.240 nan 0.000 0.467 102 N N 2.026 120.329 118.700 -0.661 0.000 2.324 102 N HA 0.021 4.761 4.740 0.000 0.000 0.192 102 N C 1.360 176.619 175.510 -0.419 0.000 1.046 102 N CA 0.559 53.360 53.050 -0.414 0.000 0.898 102 N CB 0.261 38.528 38.487 -0.366 0.000 1.079 102 N HN 0.350 nan 8.380 nan 0.000 0.456 103 V N 0.397 119.989 119.914 -0.537 0.000 2.627 103 V HA 0.079 4.199 4.120 0.000 0.000 0.239 103 V C 0.552 176.310 176.094 -0.560 0.000 1.077 103 V CA 0.662 62.542 62.300 -0.700 0.000 1.103 103 V CB -0.020 31.352 31.823 -0.752 0.000 0.802 103 V HN 0.277 nan 8.190 nan 0.000 0.482 104 T N 1.335 115.638 114.554 -0.418 0.000 2.867 104 T HA 0.130 4.480 4.350 0.000 0.000 0.297 104 T C -0.409 174.139 174.700 -0.253 0.000 0.989 104 T CA 0.358 62.285 62.100 -0.287 0.000 1.159 104 T CB -0.334 68.407 68.868 -0.211 0.000 0.928 104 T HN 0.188 nan 8.240 nan 0.000 0.538 105 Y N 4.786 124.984 120.300 -0.170 0.000 2.610 105 Y HA 0.109 4.659 4.550 0.000 0.000 0.332 105 Y C -1.000 174.769 175.900 -0.219 0.000 1.201 105 Y CA -1.862 56.126 58.100 -0.188 0.000 1.465 105 Y CB 0.397 38.747 38.460 -0.183 0.000 1.283 105 Y HN 0.560 nan 8.280 nan 0.000 0.563 106 P HA -0.125 nan 4.420 nan 0.000 0.218 106 P C 0.185 177.301 177.300 -0.307 0.000 1.149 106 P CA 1.345 64.333 63.100 -0.187 0.000 0.817 106 P CB 0.174 31.738 31.700 -0.227 0.000 0.785 107 I N -4.523 115.782 120.570 -0.441 0.000 3.205 107 I HA 0.445 4.615 4.170 0.000 0.000 0.310 107 I C -0.445 175.535 176.117 -0.229 0.000 1.089 107 I CA -0.991 60.041 61.300 -0.448 0.000 1.023 107 I CB 1.278 38.838 38.000 -0.735 0.000 1.269 107 I HN -0.397 nan 8.210 nan 0.000 0.512 108 T N 2.347 116.809 114.554 -0.154 0.000 2.907 108 T HA 0.246 4.596 4.350 0.000 0.000 0.298 108 T C 0.123 174.813 174.700 -0.016 0.000 1.017 108 T CA -0.413 61.656 62.100 -0.052 0.000 1.118 108 T CB 1.065 69.929 68.868 -0.006 0.000 0.948 108 T HN 0.392 nan 8.240 nan 0.000 0.531 109 V N 4.345 124.272 119.914 0.022 0.000 2.352 109 V HA 0.268 4.388 4.120 0.000 0.000 0.253 109 V C 0.652 176.809 176.094 0.106 0.000 1.083 109 V CA -0.268 62.075 62.300 0.072 0.000 0.993 109 V CB -0.618 31.235 31.823 0.050 0.000 1.111 109 V HN 0.862 nan 8.190 nan 0.000 0.490 110 N N 5.315 124.140 118.700 0.207 0.000 2.679 110 N HA 0.244 4.984 4.740 0.000 0.000 0.240 110 N C -2.974 172.621 175.510 0.143 0.000 1.537 110 N CA -1.185 51.974 53.050 0.180 0.000 0.793 110 N CB 1.463 40.106 38.487 0.261 0.000 1.391 110 N HN 0.283 nan 8.380 nan 0.000 0.524 111 P HA 0.189 nan 4.420 nan 0.000 0.266 111 P C -2.348 174.653 177.300 -0.498 0.000 1.195 111 P CA -0.738 61.918 63.100 -0.741 0.000 0.768 111 P CB 0.369 31.374 31.700 -1.159 0.000 0.838 112 P HA 0.262 nan 4.420 nan 0.000 0.248 112 P C -0.745 176.419 177.300 -0.228 0.000 1.708 112 P CA -0.276 62.575 63.100 -0.415 0.000 1.062 112 P CB -0.285 31.183 31.700 -0.386 0.000 1.562 113 F N -0.366 119.719 119.950 0.225 0.000 2.404 113 F HA 0.292 4.819 4.527 0.000 0.000 0.345 113 F C 1.054 177.030 175.800 0.294 0.000 1.110 113 F CA -1.173 56.965 58.000 0.230 0.000 1.130 113 F CB 1.301 40.378 39.000 0.128 0.000 1.129 113 F HN -0.291 nan 8.300 nan 0.000 0.500 114 V N 4.210 124.422 119.914 0.496 0.000 2.863 114 V HA 0.345 4.465 4.120 0.000 0.000 0.307 114 V C -1.856 174.424 176.094 0.310 0.000 1.061 114 V CA -1.796 60.720 62.300 0.361 0.000 1.024 114 V CB 1.519 33.651 31.823 0.516 0.000 1.049 114 V HN 0.542 nan 8.190 nan 0.000 0.471 115 P HA 0.096 nan 4.420 nan 0.000 0.274 115 P C 0.802 178.256 177.300 0.257 0.000 1.231 115 P CA 0.049 63.258 63.100 0.181 0.000 0.790 115 P CB 0.604 32.370 31.700 0.109 0.000 0.951 116 T N -0.258 114.411 114.554 0.192 0.000 2.759 116 T HA -0.168 4.182 4.350 0.000 0.000 0.269 116 T C 0.314 175.128 174.700 0.190 0.000 1.042 116 T CA 1.259 63.472 62.100 0.188 0.000 1.140 116 T CB -0.638 68.305 68.868 0.126 0.000 0.864 116 T HN 0.398 nan 8.240 nan 0.000 0.455 117 E N 2.821 123.137 120.200 0.194 0.000 1.963 117 E HA 0.429 4.779 4.350 0.000 0.000 0.274 117 E C -0.671 176.085 176.600 0.259 0.000 1.061 117 E CA -0.313 56.202 56.400 0.192 0.000 0.847 117 E CB 0.441 30.259 29.700 0.197 0.000 1.083 117 E HN 0.442 nan 8.360 nan 0.000 0.402 118 N N 3.347 122.153 118.700 0.177 0.000 2.540 118 N HA 0.295 5.035 4.740 0.000 0.000 0.275 118 N C -2.818 172.666 175.510 -0.043 0.000 1.053 118 N CA -2.682 50.473 53.050 0.174 0.000 0.876 118 N CB 1.205 39.853 38.487 0.268 0.000 1.284 118 N HN -0.028 nan 8.380 nan 0.000 0.518 119 P HA -0.009 nan 4.420 nan 0.000 0.253 119 P C -0.722 176.456 177.300 -0.203 0.000 1.170 119 P CA 0.587 63.584 63.100 -0.172 0.000 0.806 119 P CB -0.042 31.842 31.700 0.306 0.000 0.775 120 T N 2.761 116.992 114.554 -0.538 0.000 2.829 120 T HA 0.581 4.931 4.350 0.000 0.000 0.282 120 T C 0.597 174.883 174.700 -0.691 0.000 0.990 120 T CA -0.470 61.375 62.100 -0.426 0.000 1.028 120 T CB 1.531 70.156 68.868 -0.405 0.000 0.951 120 T HN 0.301 nan 8.240 nan 0.000 0.460 121 G N 0.973 109.513 108.800 -0.433 0.000 2.605 121 G HA2 0.487 4.447 3.960 0.000 0.000 0.304 121 G HA3 0.487 4.447 3.960 0.000 0.000 0.304 121 G C -0.380 174.459 174.900 -0.101 0.000 1.333 121 G CA -0.486 44.356 45.100 -0.429 0.000 0.973 121 G HN 0.904 nan 8.290 nan 0.000 0.507 122 C N 3.072 122.027 119.300 -0.575 0.000 2.246 122 C HA 0.513 4.973 4.460 0.000 0.000 0.329 122 C C -0.577 174.359 174.990 -0.090 0.000 1.221 122 C CA -1.140 57.528 59.018 -0.584 0.000 1.697 122 C CB -1.696 25.036 27.740 -1.680 0.000 2.312 122 C HN 0.595 nan 8.230 nan 0.000 0.509 123 Y N 1.698 122.211 120.300 0.356 0.000 2.387 123 Y HA 0.628 5.178 4.550 0.000 0.000 0.336 123 Y C 0.726 177.099 175.900 0.789 0.000 1.067 123 Y CA -0.513 57.954 58.100 0.613 0.000 1.114 123 Y CB 1.381 40.197 38.460 0.593 0.000 1.208 123 Y HN 0.701 nan 8.280 nan 0.000 0.458 124 S N 3.080 119.275 115.700 0.826 0.000 2.546 124 S HA 0.832 5.302 4.470 0.000 0.000 0.274 124 S C -1.557 173.124 174.600 0.136 0.000 1.121 124 S CA -0.884 57.604 58.200 0.481 0.000 0.887 124 S CB 2.341 65.780 63.200 0.398 0.000 1.094 124 S HN 0.672 nan 8.310 nan 0.000 0.474 125 L N 0.828 121.984 121.223 -0.113 0.000 2.565 125 L HA 0.663 5.003 4.340 0.000 0.000 0.261 125 L C -1.536 175.303 176.870 -0.052 0.000 0.932 125 L CA 0.004 54.604 54.840 -0.401 0.000 0.878 125 L CB 2.192 43.398 42.059 -1.421 0.000 1.333 125 L HN 0.770 nan 8.230 nan 0.000 0.409 126 T N 5.297 119.839 114.554 -0.021 0.000 2.794 126 T HA 0.780 5.130 4.350 0.000 0.000 0.280 126 T C -0.884 173.908 174.700 0.154 0.000 0.987 126 T CA -0.081 62.054 62.100 0.058 0.000 0.993 126 T CB 0.620 69.468 68.868 -0.034 0.000 0.939 126 T HN 0.488 nan 8.240 nan 0.000 0.449 127 F N 0.677 120.546 119.950 -0.135 0.000 2.741 127 F HA 0.694 5.221 4.527 0.000 0.000 0.313 127 F C -1.044 174.699 175.800 -0.096 0.000 1.153 127 F CA -1.508 56.419 58.000 -0.122 0.000 0.931 127 F CB 1.261 40.178 39.000 -0.139 0.000 1.335 127 F HN 0.273 nan 8.300 nan 0.000 0.460 128 N N -0.129 118.522 118.700 -0.082 0.000 2.466 128 N HA 0.750 5.490 4.740 0.000 0.000 0.294 128 N C -1.739 173.720 175.510 -0.085 0.000 1.129 128 N CA -0.620 52.338 53.050 -0.153 0.000 0.931 128 N CB 2.214 40.640 38.487 -0.101 0.000 1.193 128 N HN 0.591 nan 8.380 nan 0.000 0.500 129 V N 0.959 120.780 119.914 -0.155 0.000 2.577 129 V HA 0.260 4.380 4.120 0.000 0.000 0.303 129 V C -0.585 175.382 176.094 -0.211 0.000 1.042 129 V CA -1.030 61.170 62.300 -0.166 0.000 0.872 129 V CB 1.541 33.322 31.823 -0.070 0.000 0.998 129 V HN 0.671 nan 8.190 nan 0.000 0.423 130 D N 3.405 123.579 120.400 -0.376 0.000 2.455 130 D HA -0.012 4.628 4.640 0.000 0.000 0.241 130 D C 1.274 177.491 176.300 -0.139 0.000 1.138 130 D CA 0.181 54.010 54.000 -0.285 0.000 0.877 130 D CB 1.300 41.880 40.800 -0.366 0.000 1.187 130 D HN 0.820 nan 8.370 nan 0.000 0.451 131 E N 2.591 122.757 120.200 -0.057 0.000 2.274 131 E HA -0.203 4.147 4.350 0.000 0.000 0.194 131 E C 1.399 178.039 176.600 0.066 0.000 0.996 131 E CA 0.916 57.325 56.400 0.014 0.000 0.840 131 E CB -0.172 29.532 29.700 0.008 0.000 0.772 131 E HN 0.435 nan 8.360 nan 0.000 0.491 132 S N 0.336 116.069 115.700 0.055 0.000 2.380 132 S HA -0.204 4.266 4.470 0.000 0.000 0.229 132 S C 1.557 176.260 174.600 0.172 0.000 1.043 132 S CA 1.489 59.755 58.200 0.109 0.000 1.038 132 S CB -0.745 62.526 63.200 0.119 0.000 0.872 132 S HN 0.538 nan 8.310 nan 0.000 0.456 133 W N 1.213 122.381 121.300 -0.220 0.000 2.402 133 W HA 0.240 4.900 4.660 0.000 0.000 0.286 133 W C 2.274 178.750 176.519 -0.072 0.000 1.221 133 W CA 0.134 57.220 57.345 -0.431 0.000 1.257 133 W CB -0.963 28.268 29.460 -0.382 0.000 1.120 133 W HN 0.327 nan 8.180 nan 0.000 0.551 134 L N -0.274 121.090 121.223 0.235 0.000 2.291 134 L HA -0.187 4.153 4.340 0.000 0.000 0.214 134 L C 2.246 179.197 176.870 0.135 0.000 1.120 134 L CA 0.986 55.932 54.840 0.176 0.000 0.799 134 L CB -0.357 41.772 42.059 0.116 0.000 0.925 134 L HN 0.026 nan 8.230 nan 0.000 0.446 135 Q N -0.324 119.549 119.800 0.122 0.000 1.864 135 Q HA -0.098 4.242 4.340 0.000 0.000 0.219 135 Q C 0.898 176.959 176.000 0.103 0.000 0.975 135 Q CA 0.964 56.823 55.803 0.093 0.000 0.862 135 Q CB -0.113 28.672 28.738 0.078 0.000 0.913 135 Q HN 0.230 nan 8.270 nan 0.000 0.431 136 E N 0.673 120.945 120.200 0.120 0.000 2.292 136 E HA 0.399 4.749 4.350 0.000 0.000 0.258 136 E C 0.489 177.187 176.600 0.164 0.000 1.115 136 E CA 0.135 56.602 56.400 0.111 0.000 0.929 136 E CB 0.478 30.229 29.700 0.084 0.000 1.161 136 E HN 0.410 nan 8.360 nan 0.000 0.453 137 G N 0.599 109.420 108.800 0.036 0.000 2.645 137 G HA2 -0.228 3.732 3.960 0.000 0.000 0.239 137 G HA3 -0.228 3.732 3.960 0.000 0.000 0.239 137 G C -0.830 173.973 174.900 -0.161 0.000 1.331 137 G CA 0.241 45.249 45.100 -0.153 0.000 0.890 137 G HN 0.844 nan 8.290 nan 0.000 0.572 138 Q N -0.571 118.974 119.800 -0.425 0.000 2.347 138 Q HA 0.643 4.984 4.340 0.000 0.000 0.271 138 Q C -1.323 174.533 176.000 -0.241 0.000 1.064 138 Q CA -0.453 55.213 55.803 -0.227 0.000 0.800 138 Q CB 1.980 30.636 28.738 -0.136 0.000 1.304 138 Q HN 0.652 nan 8.270 nan 0.000 0.438 139 T N 4.732 119.296 114.554 0.018 0.000 2.815 139 T HA 0.518 4.868 4.350 0.000 0.000 0.289 139 T C -0.749 174.030 174.700 0.133 0.000 1.000 139 T CA -0.643 61.526 62.100 0.115 0.000 0.958 139 T CB 0.680 69.746 68.868 0.330 0.000 0.944 139 T HN 0.639 nan 8.240 nan 0.000 0.442 140 R N 3.320 123.878 120.500 0.096 0.000 2.854 140 R HA 0.740 5.080 4.340 0.000 0.000 0.271 140 R C -1.257 175.108 176.300 0.109 0.000 0.994 140 R CA -0.973 55.197 56.100 0.118 0.000 0.945 140 R CB 1.672 32.027 30.300 0.092 0.000 1.194 140 R HN 0.519 nan 8.270 nan 0.000 0.476 141 I N 2.659 123.297 120.570 0.114 0.000 2.525 141 I HA 0.478 4.648 4.170 0.000 0.000 0.301 141 I C -1.076 175.038 176.117 -0.006 0.000 0.992 141 I CA -1.466 59.845 61.300 0.017 0.000 1.162 141 I CB 1.599 39.598 38.000 -0.002 0.000 1.332 141 I HN 0.661 nan 8.210 nan 0.000 0.458 142 I N 6.456 126.900 120.570 -0.211 0.000 2.512 142 I HA 0.263 4.433 4.170 0.000 0.000 0.287 142 I C -1.360 174.491 176.117 -0.443 0.000 1.069 142 I CA -0.403 60.782 61.300 -0.193 0.000 1.056 142 I CB 1.863 39.805 38.000 -0.097 0.000 1.229 142 I HN 0.329 nan 8.210 nan 0.000 0.429 143 F N 4.333 124.282 119.950 -0.003 0.000 2.334 143 F HA 0.276 4.803 4.527 0.000 0.000 0.367 143 F C 1.325 177.022 175.800 -0.173 0.000 1.115 143 F CA -0.431 57.496 58.000 -0.122 0.000 1.116 143 F CB 0.737 39.642 39.000 -0.159 0.000 1.230 143 F HN 0.469 nan 8.300 nan 0.000 0.484 144 D N 2.361 122.703 120.400 -0.097 0.000 2.310 144 D HA 0.056 4.696 4.640 0.000 0.000 0.212 144 D C 0.951 177.097 176.300 -0.258 0.000 0.965 144 D CA 0.905 54.800 54.000 -0.176 0.000 0.879 144 D CB 0.367 41.025 40.800 -0.236 0.000 0.921 144 D HN 0.663 nan 8.370 nan 0.000 0.510 145 G N -0.704 107.870 108.800 -0.376 0.000 2.617 145 G HA2 0.408 4.368 3.960 0.000 0.000 0.305 145 G HA3 0.408 4.368 3.960 0.000 0.000 0.305 145 G C -1.589 172.848 174.900 -0.771 0.000 1.436 145 G CA -0.526 44.180 45.100 -0.657 0.000 1.036 145 G HN -0.060 nan 8.290 nan 0.000 0.589 146 V N 2.429 122.126 119.914 -0.363 0.000 2.567 146 V HA 0.540 4.660 4.120 0.000 0.000 0.298 146 V C -0.804 175.340 176.094 0.084 0.000 1.047 146 V CA -1.167 60.992 62.300 -0.236 0.000 0.880 146 V CB 1.836 33.259 31.823 -0.666 0.000 1.009 146 V HN 0.782 nan 8.190 nan 0.000 0.429 147 N N 2.558 121.371 118.700 0.188 0.000 2.392 147 N HA 0.378 5.118 4.740 0.000 0.000 0.283 147 N C 0.710 176.179 175.510 -0.068 0.000 1.003 147 N CA 0.171 53.263 53.050 0.070 0.000 0.892 147 N CB 2.407 40.857 38.487 -0.062 0.000 1.193 147 N HN 0.632 nan 8.380 nan 0.000 0.487 148 S N 2.241 117.924 115.700 -0.028 0.000 2.514 148 S HA 0.508 4.979 4.470 0.000 0.000 0.223 148 S C 0.485 175.149 174.600 0.107 0.000 1.046 148 S CA 0.281 58.515 58.200 0.057 0.000 0.914 148 S CB 0.163 63.415 63.200 0.087 0.000 0.807 148 S HN 0.706 nan 8.310 nan 0.000 0.497 149 A N 0.717 123.611 122.820 0.123 0.000 2.566 149 A HA 0.849 5.169 4.320 0.000 0.000 0.292 149 A C -1.167 176.561 177.584 0.240 0.000 1.112 149 A CA -0.968 51.133 52.037 0.106 0.000 0.707 149 A CB 1.079 20.162 19.000 0.138 0.000 1.302 149 A HN 1.218 nan 8.150 nan 0.000 0.409 150 F N -0.985 118.831 119.950 -0.224 0.000 2.746 150 F HA 0.624 5.151 4.527 0.000 0.000 0.311 150 F C -1.464 174.322 175.800 -0.022 0.000 1.135 150 F CA -0.812 57.149 58.000 -0.065 0.000 0.954 150 F CB 0.872 39.809 39.000 -0.105 0.000 1.276 150 F HN 0.654 nan 8.300 nan 0.000 0.440 151 H N 1.945 121.190 119.070 0.291 0.000 2.533 151 H HA 0.821 5.377 4.556 0.000 0.000 0.343 151 H C -1.349 174.061 175.328 0.136 0.000 1.160 151 H CA -0.677 55.489 56.048 0.196 0.000 1.218 151 H CB 2.324 32.272 29.762 0.310 0.000 1.566 151 H HN 0.859 nan 8.280 nan 0.000 0.522 152 L N 1.901 123.029 121.223 -0.157 0.000 2.455 152 L HA 0.408 4.748 4.340 0.000 0.000 0.264 152 L C -1.871 174.715 176.870 -0.474 0.000 0.968 152 L CA -0.507 54.248 54.840 -0.141 0.000 0.827 152 L CB 1.872 43.790 42.059 -0.235 0.000 1.317 152 L HN 0.502 nan 8.230 nan 0.000 0.407 153 W N 4.028 125.300 121.300 -0.047 0.000 2.864 153 W HA 0.649 5.309 4.660 0.000 0.000 0.343 153 W C -1.164 175.287 176.519 -0.114 0.000 1.109 153 W CA -0.827 56.460 57.345 -0.097 0.000 1.192 153 W CB 2.114 31.547 29.460 -0.045 0.000 1.426 153 W HN 0.689 nan 8.180 nan 0.000 0.529 154 C N 4.737 124.120 119.300 0.137 0.000 2.446 154 C HA 0.294 4.754 4.460 0.000 0.000 0.329 154 C C 0.014 175.113 174.990 0.181 0.000 1.166 154 C CA -0.429 58.645 59.018 0.093 0.000 1.341 154 C CB -0.614 27.095 27.740 -0.052 0.000 1.970 154 C HN 0.795 nan 8.230 nan 0.000 0.452 155 N N 3.868 122.639 118.700 0.118 0.000 2.725 155 N HA -0.183 4.557 4.740 0.000 0.000 0.251 155 N C 1.009 176.581 175.510 0.103 0.000 1.031 155 N CA 2.013 55.109 53.050 0.078 0.000 0.720 155 N CB -1.288 37.245 38.487 0.077 0.000 0.930 155 N HN 1.895 nan 8.380 nan 0.000 0.543 156 G N -1.205 107.641 108.800 0.077 0.000 2.234 156 G HA2 -0.386 3.574 3.960 0.000 0.000 0.260 156 G HA3 -0.386 3.574 3.960 0.000 0.000 0.260 156 G C 0.232 175.309 174.900 0.296 0.000 0.987 156 G CA 0.662 45.801 45.100 0.065 0.000 0.625 156 G HN 0.576 nan 8.290 nan 0.000 0.532 157 R N -0.728 120.013 120.500 0.403 0.000 2.297 157 R HA 0.432 4.772 4.340 0.000 0.000 0.308 157 R C -0.052 176.569 176.300 0.534 0.000 1.029 157 R CA -0.873 55.543 56.100 0.525 0.000 0.929 157 R CB 0.608 31.235 30.300 0.545 0.000 1.046 157 R HN 0.260 nan 8.270 nan 0.000 0.461 158 W N 4.103 125.550 121.300 0.246 0.000 2.251 158 W HA 0.070 4.730 4.660 0.000 0.000 0.327 158 W C -0.067 176.286 176.519 -0.276 0.000 1.361 158 W CA 0.055 57.120 57.345 -0.466 0.000 1.234 158 W CB 0.626 29.839 29.460 -0.413 0.000 1.212 158 W HN 0.349 nan 8.180 nan 0.000 0.557 159 V N 4.953 123.939 119.914 -1.546 0.000 2.840 159 V HA 0.585 4.705 4.120 0.000 0.000 0.234 159 V C 0.970 176.014 176.094 -1.750 0.000 1.159 159 V CA 0.847 62.338 62.300 -1.349 0.000 1.194 159 V CB -0.331 30.791 31.823 -1.168 0.000 0.971 159 V HN 0.788 nan 8.190 nan 0.000 0.494 160 G N -1.698 105.905 108.800 -1.995 0.000 2.489 160 G HA2 0.507 4.467 3.960 0.000 0.000 0.305 160 G HA3 0.507 4.467 3.960 0.000 0.000 0.305 160 G C -2.455 172.172 174.900 -0.456 0.000 1.311 160 G CA -0.263 44.119 45.100 -1.197 0.000 0.813 160 G HN 0.033 nan 8.290 nan 0.000 0.480 161 Y N -0.686 119.499 120.300 -0.192 0.000 2.588 161 Y HA 0.725 5.275 4.550 0.000 0.000 0.343 161 Y C -0.076 175.662 175.900 -0.269 0.000 1.065 161 Y CA -0.087 57.809 58.100 -0.339 0.000 1.038 161 Y CB 2.260 40.635 38.460 -0.142 0.000 1.297 161 Y HN 1.260 nan 8.280 nan 0.000 0.467 162 G N 3.087 111.109 108.800 -1.298 0.000 2.720 162 G HA2 0.575 4.535 3.960 0.000 0.000 0.295 162 G HA3 0.575 4.535 3.960 0.000 0.000 0.295 162 G C -2.229 172.215 174.900 -0.760 0.000 1.437 162 G CA -0.939 43.677 45.100 -0.807 0.000 0.886 162 G HN 0.620 nan 8.290 nan 0.000 0.509 163 Q N -0.217 119.386 119.800 -0.329 0.000 2.587 163 Q HA 0.613 4.953 4.340 0.000 0.000 0.293 163 Q C -1.400 174.596 176.000 -0.007 0.000 1.083 163 Q CA -0.892 54.832 55.803 -0.131 0.000 0.792 163 Q CB 2.795 31.502 28.738 -0.053 0.000 1.484 163 Q HN 0.670 nan 8.270 nan 0.000 0.446 164 D N -0.122 120.313 120.400 0.057 0.000 4.370 164 D HA -0.101 4.539 4.640 0.000 0.000 0.238 164 D C -0.330 176.029 176.300 0.099 0.000 1.104 164 D CA 0.667 54.717 54.000 0.084 0.000 1.101 164 D CB -0.683 40.154 40.800 0.062 0.000 0.749 164 D HN 0.568 nan 8.370 nan 0.000 0.351 165 S N 3.458 119.234 115.700 0.127 0.000 2.469 165 S HA -0.135 4.335 4.470 0.000 0.000 0.238 165 S C 1.635 176.353 174.600 0.196 0.000 0.998 165 S CA 0.690 58.993 58.200 0.172 0.000 0.957 165 S CB 0.157 63.459 63.200 0.169 0.000 0.764 165 S HN 0.559 nan 8.310 nan 0.000 0.514 166 R N 0.028 120.614 120.500 0.143 0.000 2.334 166 R HA 0.406 4.746 4.340 0.000 0.000 0.212 166 R C 0.044 176.400 176.300 0.093 0.000 0.897 166 R CA 0.096 56.279 56.100 0.139 0.000 1.056 166 R CB -0.067 30.335 30.300 0.171 0.000 1.046 166 R HN 0.368 nan 8.270 nan 0.000 0.513 167 L N 1.340 122.596 121.223 0.055 0.000 2.303 167 L HA 0.479 4.819 4.340 0.000 0.000 0.266 167 L C -2.296 174.561 176.870 -0.022 0.000 1.011 167 L CA -2.412 52.433 54.840 0.009 0.000 0.818 167 L CB 1.840 43.897 42.059 -0.003 0.000 1.326 167 L HN -0.239 nan 8.230 nan 0.000 0.435 168 P HA 0.118 nan 4.420 nan 0.000 0.269 168 P C -1.119 176.166 177.300 -0.025 0.000 1.209 168 P CA -0.179 62.890 63.100 -0.052 0.000 0.776 168 P CB 0.876 32.508 31.700 -0.113 0.000 0.876 169 S N 1.419 117.162 115.700 0.072 0.000 2.502 169 S HA 0.384 4.854 4.470 0.000 0.000 0.304 169 S C -0.636 173.987 174.600 0.039 0.000 1.097 169 S CA -0.626 57.606 58.200 0.053 0.000 1.045 169 S CB 1.047 64.400 63.200 0.255 0.000 1.019 169 S HN 0.348 nan 8.310 nan 0.000 0.481 170 E N 1.911 121.931 120.200 -0.300 0.000 2.266 170 E HA 0.648 4.998 4.350 0.000 0.000 0.268 170 E C -1.515 174.772 176.600 -0.521 0.000 0.879 170 E CA -0.669 55.616 56.400 -0.192 0.000 0.762 170 E CB 1.691 31.374 29.700 -0.028 0.000 1.199 170 E HN 0.413 nan 8.360 nan 0.000 0.422 171 F N 0.062 120.064 119.950 0.086 0.000 2.588 171 F HA 0.265 4.792 4.527 0.000 0.000 0.310 171 F C -0.208 175.615 175.800 0.039 0.000 1.082 171 F CA -1.303 56.721 58.000 0.041 0.000 0.929 171 F CB 1.196 40.188 39.000 -0.014 0.000 1.254 171 F HN 0.248 nan 8.300 nan 0.000 0.455 172 D N 2.173 122.728 120.400 0.257 0.000 2.336 172 D HA 0.239 4.879 4.640 0.000 0.000 0.249 172 D C 0.518 176.949 176.300 0.218 0.000 1.213 172 D CA 0.346 54.462 54.000 0.194 0.000 0.870 172 D CB 0.966 41.866 40.800 0.166 0.000 1.076 172 D HN 0.593 nan 8.370 nan 0.000 0.483 173 L N 2.531 123.881 121.223 0.211 0.000 2.477 173 L HA -0.052 4.288 4.340 0.000 0.000 0.220 173 L C 2.208 179.318 176.870 0.400 0.000 1.106 173 L CA -0.046 54.941 54.840 0.246 0.000 0.851 173 L CB -0.076 42.103 42.059 0.200 0.000 0.994 173 L HN 0.340 nan 8.230 nan 0.000 0.462 174 S N 1.125 116.998 115.700 0.287 0.000 2.461 174 S HA -0.365 4.105 4.470 0.000 0.000 0.266 174 S C 1.790 176.514 174.600 0.208 0.000 1.138 174 S CA 2.127 60.462 58.200 0.224 0.000 1.146 174 S CB -0.315 62.974 63.200 0.148 0.000 1.042 174 S HN 0.588 nan 8.310 nan 0.000 0.448 175 A N -1.000 121.952 122.820 0.220 0.000 2.278 175 A HA 0.419 4.739 4.320 0.000 0.000 0.212 175 A C 0.961 178.445 177.584 -0.167 0.000 1.213 175 A CA 0.147 52.161 52.037 -0.039 0.000 0.840 175 A CB -0.268 18.567 19.000 -0.275 0.000 0.866 175 A HN 0.484 nan 8.150 nan 0.000 0.489 176 F N -1.055 118.934 119.950 0.065 0.000 2.767 176 F HA 0.374 4.901 4.527 0.000 0.000 0.323 176 F C 0.468 176.300 175.800 0.054 0.000 1.091 176 F CA -0.680 57.355 58.000 0.058 0.000 1.192 176 F CB -0.036 39.002 39.000 0.063 0.000 1.056 176 F HN -0.063 nan 8.300 nan 0.000 0.571 177 L N 1.821 123.210 121.223 0.278 0.000 2.417 177 L HA 0.422 4.762 4.340 0.000 0.000 0.268 177 L C 0.260 177.183 176.870 0.088 0.000 1.158 177 L CA -0.205 54.735 54.840 0.167 0.000 0.819 177 L CB 0.787 42.963 42.059 0.196 0.000 1.112 177 L HN 0.020 nan 8.230 nan 0.000 0.458 178 R N 1.258 121.771 120.500 0.023 0.000 2.854 178 R HA 0.685 5.025 4.340 0.000 0.000 0.271 178 R C -0.686 175.593 176.300 -0.036 0.000 0.996 178 R CA -0.943 55.152 56.100 -0.009 0.000 0.961 178 R CB 1.840 32.120 30.300 -0.035 0.000 1.182 178 R HN 0.700 nan 8.270 nan 0.000 0.479 179 A N 0.905 123.707 122.820 -0.030 0.000 2.407 179 A HA 0.547 4.867 4.320 0.000 0.000 0.248 179 A C 0.943 178.477 177.584 -0.084 0.000 1.082 179 A CA 0.839 52.848 52.037 -0.047 0.000 0.785 179 A CB -0.118 18.864 19.000 -0.030 0.000 1.020 179 A HN 0.897 nan 8.150 nan 0.000 0.489 180 G N 0.809 109.545 108.800 -0.106 0.000 2.536 180 G HA2 -0.225 3.735 3.960 0.000 0.000 0.277 180 G HA3 -0.225 3.735 3.960 0.000 0.000 0.277 180 G C 0.137 174.916 174.900 -0.202 0.000 1.155 180 G CA 0.363 45.386 45.100 -0.129 0.000 0.960 180 G HN 1.005 nan 8.290 nan 0.000 0.544 181 E N 2.409 122.495 120.200 -0.189 0.000 2.265 181 E HA 0.267 4.617 4.350 0.000 0.000 0.272 181 E C -0.065 176.334 176.600 -0.335 0.000 1.067 181 E CA -0.032 56.219 56.400 -0.249 0.000 0.900 181 E CB 0.011 29.613 29.700 -0.164 0.000 1.017 181 E HN 0.387 nan 8.360 nan 0.000 0.431 182 N N 3.083 121.412 118.700 -0.618 0.000 2.328 182 N HA 0.415 5.155 4.740 0.000 0.000 0.299 182 N C -0.760 174.430 175.510 -0.534 0.000 1.179 182 N CA -0.671 51.986 53.050 -0.655 0.000 0.793 182 N CB 2.207 40.153 38.487 -0.903 0.000 1.366 182 N HN 0.288 nan 8.380 nan 0.000 0.493 183 R N 1.612 121.997 120.500 -0.191 0.000 2.538 183 R HA 0.422 4.762 4.340 0.000 0.000 0.292 183 R C -1.317 175.054 176.300 0.118 0.000 1.008 183 R CA -0.477 55.624 56.100 0.000 0.000 0.896 183 R CB 1.066 31.328 30.300 -0.064 0.000 1.187 183 R HN 0.509 nan 8.270 nan 0.000 0.440 184 L N 2.940 124.297 121.223 0.222 0.000 2.325 184 L HA 0.726 5.066 4.340 0.000 0.000 0.279 184 L C -0.074 176.884 176.870 0.148 0.000 1.054 184 L CA -0.916 54.048 54.840 0.206 0.000 0.804 184 L CB 1.813 44.020 42.059 0.247 0.000 1.200 184 L HN 0.665 nan 8.230 nan 0.000 0.436 185 A N 3.227 126.139 122.820 0.152 0.000 2.375 185 A HA 0.687 5.007 4.320 0.000 0.000 0.291 185 A C -0.868 177.027 177.584 0.519 0.000 1.160 185 A CA -0.441 51.627 52.037 0.053 0.000 0.747 185 A CB 1.333 19.756 19.000 -0.962 0.000 1.170 185 A HN 0.390 nan 8.150 nan 0.000 0.458 186 V N 3.432 123.820 119.914 0.789 0.000 2.357 186 V HA 0.485 4.605 4.120 0.000 0.000 0.284 186 V C 0.113 176.708 176.094 0.835 0.000 1.018 186 V CA -0.313 62.432 62.300 0.740 0.000 0.841 186 V CB 1.344 33.425 31.823 0.429 0.000 0.991 186 V HN 0.948 nan 8.190 nan 0.000 0.437 187 M N 6.120 126.212 119.600 0.821 0.000 2.088 187 M HA 0.600 5.080 4.480 0.000 0.000 0.346 187 M C -1.436 175.119 176.300 0.425 0.000 1.111 187 M CA -0.331 55.286 55.300 0.529 0.000 1.017 187 M CB 1.288 34.241 32.600 0.588 0.000 1.568 187 M HN 0.476 nan 8.290 nan 0.000 0.445 188 V N 6.738 126.842 119.914 0.317 0.000 2.435 188 V HA 0.501 4.621 4.120 0.000 0.000 0.290 188 V C -0.207 176.038 176.094 0.251 0.000 1.030 188 V CA -0.775 61.704 62.300 0.298 0.000 0.881 188 V CB 1.567 33.587 31.823 0.330 0.000 0.983 188 V HN 0.816 nan 8.190 nan 0.000 0.445 189 L N 3.093 124.408 121.223 0.153 0.000 2.334 189 L HA 0.664 5.004 4.340 0.000 0.000 0.276 189 L C 1.194 178.027 176.870 -0.062 0.000 1.014 189 L CA -0.781 54.077 54.840 0.031 0.000 0.815 189 L CB 1.566 43.540 42.059 -0.142 0.000 1.268 189 L HN 0.468 nan 8.230 nan 0.000 0.428 190 R N 1.610 121.972 120.500 -0.231 0.000 2.075 190 R HA -0.007 4.333 4.340 0.000 0.000 0.230 190 R C -0.278 175.638 176.300 -0.640 0.000 1.140 190 R CA 1.753 57.421 56.100 -0.720 0.000 0.928 190 R CB 0.064 29.590 30.300 -1.290 0.000 0.834 190 R HN 0.627 nan 8.270 nan 0.000 0.429 191 W N 0.295 121.650 121.300 0.091 0.000 2.449 191 W HA 0.319 4.979 4.660 0.000 0.000 0.331 191 W C 0.062 176.690 176.519 0.182 0.000 1.119 191 W CA -0.788 56.621 57.345 0.106 0.000 1.240 191 W CB 1.312 30.836 29.460 0.108 0.000 1.251 191 W HN 0.084 nan 8.180 nan 0.000 0.576 192 S N -1.008 114.976 115.700 0.474 0.000 2.643 192 S HA 0.205 4.675 4.470 0.000 0.000 0.270 192 S C 0.063 174.915 174.600 0.420 0.000 1.166 192 S CA -0.511 57.975 58.200 0.477 0.000 0.815 192 S CB 1.232 64.671 63.200 0.398 0.000 1.139 192 S HN 0.614 nan 8.310 nan 0.000 0.472 193 D N 0.563 121.211 120.400 0.414 0.000 2.218 193 D HA 0.063 4.703 4.640 0.000 0.000 0.204 193 D C 1.839 178.433 176.300 0.491 0.000 0.976 193 D CA 1.194 55.471 54.000 0.462 0.000 0.853 193 D CB -0.797 40.162 40.800 0.265 0.000 0.939 193 D HN 0.712 nan 8.370 nan 0.000 0.481 194 G N 0.100 109.111 108.800 0.352 0.000 2.462 194 G HA2 -0.302 3.658 3.960 0.000 0.000 0.220 194 G HA3 -0.302 3.658 3.960 0.000 0.000 0.220 194 G C 1.741 176.817 174.900 0.293 0.000 1.121 194 G CA 0.873 46.153 45.100 0.300 0.000 0.758 194 G HN 0.316 nan 8.290 nan 0.000 0.559 195 S N -0.109 115.755 115.700 0.273 0.000 2.383 195 S HA -0.119 4.351 4.470 0.000 0.000 0.229 195 S C 1.954 176.654 174.600 0.166 0.000 1.030 195 S CA 0.936 59.261 58.200 0.208 0.000 1.002 195 S CB -0.424 62.898 63.200 0.203 0.000 0.829 195 S HN 0.562 nan 8.310 nan 0.000 0.467 196 Y N 1.131 121.526 120.300 0.159 0.000 2.483 196 Y HA 0.027 4.577 4.550 0.000 0.000 0.291 196 Y C 1.537 177.534 175.900 0.162 0.000 1.143 196 Y CA 0.619 58.739 58.100 0.032 0.000 1.289 196 Y CB -0.217 38.155 38.460 -0.145 0.000 0.983 196 Y HN 0.196 nan 8.280 nan 0.000 0.556 197 L N -0.011 121.403 121.223 0.318 0.000 2.700 197 L HA 0.121 4.461 4.340 0.000 0.000 0.234 197 L C -0.004 177.009 176.870 0.237 0.000 1.156 197 L CA 0.370 55.355 54.840 0.241 0.000 0.946 197 L CB -0.005 42.191 42.059 0.228 0.000 1.216 197 L HN 0.204 nan 8.230 nan 0.000 0.493 198 E N -0.474 119.886 120.200 0.266 0.000 3.646 198 E HA 0.045 4.395 4.350 0.000 0.000 0.211 198 E C -0.444 176.278 176.600 0.204 0.000 1.034 198 E CA -0.095 56.446 56.400 0.235 0.000 1.341 198 E CB 0.469 30.300 29.700 0.217 0.000 1.202 198 E HN 0.019 nan 8.360 nan 0.000 0.447 199 D N 1.383 121.870 120.400 0.145 0.000 2.519 199 D HA 0.006 4.646 4.640 0.000 0.000 0.238 199 D C -0.222 176.082 176.300 0.007 0.000 1.192 199 D CA -0.010 53.963 54.000 -0.044 0.000 0.835 199 D CB 0.066 40.604 40.800 -0.436 0.000 0.975 199 D HN 0.082 nan 8.370 nan 0.000 0.490 200 Q N 0.510 120.400 119.800 0.149 0.000 2.361 200 Q HA 0.070 4.410 4.340 0.000 0.000 0.276 200 Q C -0.038 176.083 176.000 0.202 0.000 1.022 200 Q CA 0.168 56.123 55.803 0.253 0.000 0.898 200 Q CB 0.557 29.579 28.738 0.473 0.000 1.246 200 Q HN 0.053 nan 8.270 nan 0.000 0.410 201 D N 3.396 123.946 120.400 0.251 0.000 2.489 201 D HA 0.137 4.777 4.640 0.000 0.000 0.237 201 D C -0.788 175.695 176.300 0.305 0.000 1.212 201 D CA 0.221 54.355 54.000 0.223 0.000 1.058 201 D CB -0.414 40.547 40.800 0.268 0.000 1.098 201 D HN 0.482 nan 8.370 nan 0.000 0.509 202 M N 0.087 119.809 119.600 0.203 0.000 3.008 202 M HA 0.453 4.933 4.480 0.000 0.000 0.271 202 M C -1.205 175.202 176.300 0.177 0.000 1.265 202 M CA -1.212 54.158 55.300 0.118 0.000 0.817 202 M CB 1.145 33.719 32.600 -0.043 0.000 1.638 202 M HN -0.103 nan 8.290 nan 0.000 0.479 203 W N 1.969 123.356 121.300 0.145 0.000 2.216 203 W HA 0.392 5.052 4.660 0.000 0.000 0.326 203 W C 0.126 176.655 176.519 0.016 0.000 1.319 203 W CA -0.276 57.136 57.345 0.111 0.000 1.213 203 W CB 0.550 30.019 29.460 0.016 0.000 1.171 203 W HN 0.255 nan 8.180 nan 0.000 0.557 204 R N 4.999 125.683 120.500 0.307 0.000 2.204 204 R HA 0.401 4.741 4.340 0.000 0.000 0.341 204 R C -0.167 176.158 176.300 0.042 0.000 1.035 204 R CA -0.194 56.007 56.100 0.167 0.000 0.887 204 R CB 0.248 30.690 30.300 0.237 0.000 1.114 204 R HN 0.578 nan 8.270 nan 0.000 0.473 205 M N 0.368 119.891 119.600 -0.128 0.000 2.655 205 M HA 0.506 4.986 4.480 0.000 0.000 0.271 205 M C -0.137 175.851 176.300 -0.520 0.000 1.013 205 M CA -0.727 54.377 55.300 -0.326 0.000 0.994 205 M CB 1.994 34.388 32.600 -0.343 0.000 1.585 205 M HN 0.659 nan 8.290 nan 0.000 0.569 206 S N -1.352 113.921 115.700 -0.711 0.000 2.611 206 S HA 0.848 5.318 4.470 0.000 0.000 0.270 206 S C -0.629 173.547 174.600 -0.706 0.000 1.131 206 S CA -0.329 57.368 58.200 -0.839 0.000 0.826 206 S CB 1.442 63.954 63.200 -1.148 0.000 1.095 206 S HN 1.428 nan 8.310 nan 0.000 0.461 207 G N 0.243 108.837 108.800 -0.343 0.000 2.318 207 G HA2 0.157 4.117 3.960 0.000 0.000 0.367 207 G HA3 0.157 4.117 3.960 0.000 0.000 0.367 207 G C -1.507 173.386 174.900 -0.012 0.000 1.260 207 G CA -0.542 44.582 45.100 0.041 0.000 1.055 207 G HN 1.236 nan 8.290 nan 0.000 0.484 208 I N 2.162 122.614 120.570 -0.196 0.000 2.316 208 I HA 0.307 4.477 4.170 0.000 0.000 0.286 208 I C 1.012 177.009 176.117 -0.201 0.000 1.107 208 I CA -0.309 60.769 61.300 -0.370 0.000 1.219 208 I CB -0.034 37.542 38.000 -0.706 0.000 1.455 208 I HN 0.514 nan 8.210 nan 0.000 0.498 209 F N 3.969 123.788 119.950 -0.218 0.000 2.727 209 F HA 0.427 4.954 4.527 0.000 0.000 0.302 209 F C 0.697 176.433 175.800 -0.107 0.000 1.097 209 F CA -0.527 57.377 58.000 -0.160 0.000 1.330 209 F CB 0.070 38.974 39.000 -0.161 0.000 1.084 209 F HN 0.120 nan 8.300 nan 0.000 0.578 210 R N 0.682 120.782 120.500 -0.666 0.000 2.912 210 R HA 0.260 4.600 4.340 0.000 0.000 0.262 210 R C -1.003 175.134 176.300 -0.271 0.000 1.057 210 R CA -1.159 54.701 56.100 -0.401 0.000 0.981 210 R CB 0.562 30.611 30.300 -0.418 0.000 1.201 210 R HN -0.033 nan 8.270 nan 0.000 0.484 211 D N 0.780 121.083 120.400 -0.162 0.000 2.474 211 D HA 0.090 4.730 4.640 0.000 0.000 0.232 211 D C -0.274 175.922 176.300 -0.173 0.000 1.177 211 D CA 0.435 54.358 54.000 -0.128 0.000 0.876 211 D CB 0.403 41.164 40.800 -0.066 0.000 1.208 211 D HN 0.064 nan 8.370 nan 0.000 0.464 212 V N 0.931 120.751 119.914 -0.157 0.000 2.540 212 V HA 0.653 4.772 4.120 0.000 0.000 0.302 212 V C -0.142 175.859 176.094 -0.156 0.000 1.035 212 V CA -0.591 61.570 62.300 -0.231 0.000 0.873 212 V CB 1.607 33.306 31.823 -0.207 0.000 0.992 212 V HN 0.752 nan 8.190 nan 0.000 0.428 213 S N 4.488 120.057 115.700 -0.219 0.000 2.625 213 S HA 0.826 5.296 4.470 0.000 0.000 0.271 213 S C -1.246 173.305 174.600 -0.081 0.000 1.161 213 S CA -0.953 57.184 58.200 -0.106 0.000 0.820 213 S CB 1.922 65.089 63.200 -0.055 0.000 1.137 213 S HN 0.469 nan 8.310 nan 0.000 0.470 214 L N 1.300 122.541 121.223 0.030 0.000 2.386 214 L HA 0.698 5.038 4.340 0.000 0.000 0.271 214 L C -1.589 175.390 176.870 0.183 0.000 0.993 214 L CA -0.791 54.132 54.840 0.138 0.000 0.819 214 L CB 1.868 44.097 42.059 0.283 0.000 1.294 214 L HN 0.673 nan 8.230 nan 0.000 0.414 215 L N 2.394 123.684 121.223 0.112 0.000 2.409 215 L HA 0.488 4.828 4.340 0.000 0.000 0.272 215 L C -1.059 175.716 176.870 -0.159 0.000 0.980 215 L CA -0.287 54.551 54.840 -0.003 0.000 0.826 215 L CB 1.660 43.723 42.059 0.006 0.000 1.268 215 L HN 0.486 nan 8.230 nan 0.000 0.407 216 H N 4.035 122.776 119.070 -0.548 0.000 2.556 216 H HA 0.582 5.138 4.556 0.000 0.000 0.310 216 H C -1.158 173.883 175.328 -0.478 0.000 1.057 216 H CA -0.142 55.417 56.048 -0.816 0.000 1.264 216 H CB 0.964 29.637 29.762 -1.815 0.000 1.404 216 H HN 0.617 nan 8.280 nan 0.000 0.462 217 K N 5.428 125.334 120.400 -0.823 0.000 2.435 217 K HA 0.418 4.738 4.320 0.000 0.000 0.251 217 K C -2.742 173.505 176.600 -0.589 0.000 0.954 217 K CA -2.460 53.491 56.287 -0.560 0.000 0.820 217 K CB 1.810 34.091 32.500 -0.365 0.000 1.292 217 K HN 0.415 nan 8.250 nan 0.000 0.436 218 P HA -0.011 nan 4.420 nan 0.000 0.271 218 P C 0.148 177.317 177.300 -0.219 0.000 1.233 218 P CA -0.100 62.850 63.100 -0.250 0.000 0.789 218 P CB 0.444 32.050 31.700 -0.156 0.000 0.951 219 T N -2.980 111.483 114.554 -0.152 0.000 2.942 219 T HA -0.019 4.331 4.350 0.000 0.000 0.265 219 T C 0.687 175.312 174.700 -0.125 0.000 1.062 219 T CA 1.182 63.209 62.100 -0.123 0.000 1.139 219 T CB -0.696 68.125 68.868 -0.079 0.000 0.883 219 T HN 0.308 nan 8.240 nan 0.000 0.468 220 T N 3.404 117.884 114.554 -0.124 0.000 2.853 220 T HA 0.442 4.792 4.350 0.000 0.000 0.317 220 T C -0.338 174.270 174.700 -0.154 0.000 1.059 220 T CA -0.786 61.231 62.100 -0.140 0.000 0.954 220 T CB 0.712 69.504 68.868 -0.127 0.000 0.994 220 T HN 0.557 nan 8.240 nan 0.000 0.479 221 Q N 2.780 122.473 119.800 -0.179 0.000 2.683 221 Q HA 0.583 4.923 4.340 0.000 0.000 0.302 221 Q C -1.030 174.850 176.000 -0.200 0.000 1.042 221 Q CA -1.172 54.511 55.803 -0.199 0.000 0.773 221 Q CB 1.400 29.987 28.738 -0.253 0.000 1.508 221 Q HN 0.427 nan 8.270 nan 0.000 0.459 222 I N 2.757 123.184 120.570 -0.239 0.000 2.436 222 I HA -0.021 4.149 4.170 0.000 0.000 0.289 222 I C 0.985 176.902 176.117 -0.332 0.000 1.083 222 I CA 0.111 61.278 61.300 -0.221 0.000 1.372 222 I CB 1.027 38.861 38.000 -0.277 0.000 1.408 222 I HN 0.832 nan 8.210 nan 0.000 0.516 223 S N 3.129 118.749 115.700 -0.134 0.000 2.503 223 S HA 0.128 4.598 4.470 0.000 0.000 0.217 223 S C 0.265 174.999 174.600 0.223 0.000 0.999 223 S CA -0.103 58.062 58.200 -0.058 0.000 0.914 223 S CB 0.239 63.425 63.200 -0.023 0.000 0.782 223 S HN 0.735 nan 8.310 nan 0.000 0.520 224 D N -0.610 119.965 120.400 0.292 0.000 2.766 224 D HA 0.440 5.080 4.640 0.000 0.000 0.244 224 D C -1.769 174.755 176.300 0.372 0.000 1.198 224 D CA -0.698 53.558 54.000 0.427 0.000 0.739 224 D CB 1.127 42.060 40.800 0.221 0.000 1.379 224 D HN 0.248 nan 8.370 nan 0.000 0.437 225 F N -0.428 119.566 119.950 0.074 0.000 2.678 225 F HA 0.705 5.232 4.527 0.000 0.000 0.308 225 F C -1.537 174.290 175.800 0.045 0.000 1.118 225 F CA -0.785 57.164 58.000 -0.086 0.000 0.959 225 F CB 1.410 40.419 39.000 0.016 0.000 1.305 225 F HN 0.298 nan 8.300 nan 0.000 0.443 226 H N 1.006 120.078 119.070 0.004 0.000 2.768 226 H HA 0.788 5.344 4.556 0.000 0.000 0.371 226 H C -1.366 173.950 175.328 -0.020 0.000 1.151 226 H CA -1.520 54.456 56.048 -0.119 0.000 1.165 226 H CB 2.687 32.401 29.762 -0.082 0.000 1.722 226 H HN 0.616 nan 8.280 nan 0.000 0.543 227 V N 1.163 121.123 119.914 0.078 0.000 2.815 227 V HA 0.827 4.947 4.120 0.000 0.000 0.314 227 V C -0.495 175.578 176.094 -0.035 0.000 1.064 227 V CA -0.584 61.728 62.300 0.021 0.000 0.952 227 V CB 1.681 33.495 31.823 -0.015 0.000 1.020 227 V HN 0.973 nan 8.190 nan 0.000 0.439 228 A N 1.967 124.746 122.820 -0.069 0.000 2.547 228 A HA 0.831 5.151 4.320 0.000 0.000 0.297 228 A C -0.482 177.012 177.584 -0.151 0.000 1.056 228 A CA -0.391 51.593 52.037 -0.089 0.000 0.688 228 A CB 2.034 21.006 19.000 -0.046 0.000 1.282 228 A HN 0.934 nan 8.150 nan 0.000 0.400 229 T N 0.037 114.493 114.554 -0.163 0.000 2.807 229 T HA 0.795 5.145 4.350 0.000 0.000 0.279 229 T C -0.377 174.156 174.700 -0.279 0.000 0.993 229 T CA -0.694 61.241 62.100 -0.275 0.000 0.970 229 T CB 1.263 69.928 68.868 -0.339 0.000 0.950 229 T HN 0.703 nan 8.240 nan 0.000 0.441 230 R N 1.646 121.879 120.500 -0.444 0.000 2.740 230 R HA 0.768 5.108 4.340 0.000 0.000 0.282 230 R C -1.248 174.677 176.300 -0.625 0.000 0.969 230 R CA -0.747 55.163 56.100 -0.317 0.000 0.918 230 R CB 1.606 31.825 30.300 -0.134 0.000 1.175 230 R HN 0.554 nan 8.270 nan 0.000 0.464 231 F N 0.062 120.003 119.950 -0.014 0.000 2.640 231 F HA 0.361 4.888 4.527 0.000 0.000 0.324 231 F C 0.363 176.043 175.800 -0.200 0.000 1.077 231 F CA -1.271 56.669 58.000 -0.101 0.000 0.965 231 F CB 0.848 39.708 39.000 -0.233 0.000 1.351 231 F HN 0.505 nan 8.300 nan 0.000 0.487 232 N N -0.209 118.488 118.700 -0.004 0.000 2.327 232 N HA 0.085 4.825 4.740 0.000 0.000 0.257 232 N C 0.487 175.849 175.510 -0.246 0.000 1.281 232 N CA -0.216 52.783 53.050 -0.086 0.000 0.942 232 N CB 0.078 38.536 38.487 -0.048 0.000 1.199 232 N HN 0.647 nan 8.380 nan 0.000 0.532 233 D N -1.557 118.742 120.400 -0.170 0.000 2.265 233 D HA -0.226 4.414 4.640 0.000 0.000 0.208 233 D C 0.112 176.279 176.300 -0.221 0.000 0.977 233 D CA 1.347 55.237 54.000 -0.183 0.000 0.871 233 D CB -0.420 40.340 40.800 -0.066 0.000 0.925 233 D HN 0.752 nan 8.370 nan 0.000 0.485 234 D N -1.494 118.809 120.400 -0.161 0.000 2.513 234 D HA -0.002 4.638 4.640 0.000 0.000 0.222 234 D C 0.246 176.665 176.300 0.200 0.000 1.210 234 D CA -0.856 53.173 54.000 0.049 0.000 0.825 234 D CB -1.068 39.785 40.800 0.088 0.000 1.037 234 D HN 0.162 nan 8.370 nan 0.000 0.506 235 F N 0.713 120.721 119.950 0.097 0.000 3.006 235 F HA -0.301 4.226 4.527 0.000 0.000 0.289 235 F C 1.787 177.668 175.800 0.136 0.000 0.772 235 F CA 0.800 58.880 58.000 0.133 0.000 1.162 235 F CB -2.478 36.503 39.000 -0.033 0.000 1.382 235 F HN 0.210 nan 8.300 nan 0.000 0.406 236 S N -0.413 115.397 115.700 0.183 0.000 2.522 236 S HA 0.121 4.591 4.470 0.000 0.000 0.227 236 S C 0.701 175.357 174.600 0.092 0.000 0.986 236 S CA 0.755 59.030 58.200 0.124 0.000 0.929 236 S CB 0.357 63.603 63.200 0.077 0.000 0.769 236 S HN 0.587 nan 8.310 nan 0.000 0.529 237 R N -0.401 120.165 120.500 0.110 0.000 2.594 237 R HA 0.645 4.985 4.340 0.000 0.000 0.265 237 R C -1.707 174.616 176.300 0.039 0.000 1.070 237 R CA -0.042 56.086 56.100 0.046 0.000 0.909 237 R CB 1.371 31.676 30.300 0.007 0.000 1.243 237 R HN 0.232 nan 8.270 nan 0.000 0.455 238 A N 2.489 125.269 122.820 -0.065 0.000 2.479 238 A HA 0.787 5.107 4.320 0.000 0.000 0.296 238 A C -1.451 176.040 177.584 -0.157 0.000 1.121 238 A CA -0.677 51.236 52.037 -0.207 0.000 0.743 238 A CB 2.227 21.073 19.000 -0.255 0.000 1.323 238 A HN 0.362 nan 8.150 nan 0.000 0.415 239 V N 1.387 121.181 119.914 -0.200 0.000 2.483 239 V HA 0.426 4.546 4.120 0.000 0.000 0.297 239 V C -1.034 175.003 176.094 -0.096 0.000 1.027 239 V CA -0.468 61.762 62.300 -0.117 0.000 0.855 239 V CB 1.356 33.112 31.823 -0.111 0.000 0.995 239 V HN 0.807 nan 8.190 nan 0.000 0.424 240 L N 5.227 126.430 121.223 -0.034 0.000 2.275 240 L HA 0.630 4.970 4.340 0.000 0.000 0.288 240 L C -0.122 176.710 176.870 -0.063 0.000 1.046 240 L CA 0.179 54.983 54.840 -0.060 0.000 0.805 240 L CB 1.199 43.245 42.059 -0.022 0.000 1.193 240 L HN 0.857 nan 8.230 nan 0.000 0.426 241 E N 4.825 124.982 120.200 -0.071 0.000 2.218 241 E HA 0.752 5.102 4.350 0.000 0.000 0.263 241 E C -1.792 174.795 176.600 -0.021 0.000 0.879 241 E CA -0.832 55.541 56.400 -0.046 0.000 0.762 241 E CB 1.567 31.239 29.700 -0.047 0.000 1.166 241 E HN 0.844 nan 8.360 nan 0.000 0.415 242 A N 4.384 127.198 122.820 -0.010 0.000 2.331 242 A HA 0.444 4.764 4.320 0.000 0.000 0.320 242 A C -0.848 176.735 177.584 -0.003 0.000 1.138 242 A CA -0.708 51.344 52.037 0.026 0.000 0.790 242 A CB 1.459 20.485 19.000 0.044 0.000 1.206 242 A HN 0.735 nan 8.150 nan 0.000 0.470 243 E N 2.327 122.527 120.200 0.000 0.000 2.176 243 E HA 0.576 4.926 4.350 0.000 0.000 0.267 243 E C -1.650 174.889 176.600 -0.102 0.000 0.893 243 E CA -0.409 55.944 56.400 -0.078 0.000 0.761 243 E CB 1.601 31.236 29.700 -0.108 0.000 1.133 243 E HN 0.410 nan 8.360 nan 0.000 0.409 244 V N 4.266 124.130 119.914 -0.082 0.000 2.604 244 V HA 0.362 4.482 4.120 0.000 0.000 0.305 244 V C -0.500 175.622 176.094 0.046 0.000 1.043 244 V CA -0.809 61.480 62.300 -0.019 0.000 0.888 244 V CB 1.773 33.558 31.823 -0.063 0.000 0.995 244 V HN 0.694 nan 8.190 nan 0.000 0.429 245 Q N 4.127 123.981 119.800 0.090 0.000 2.377 245 Q HA 0.824 5.164 4.340 0.000 0.000 0.271 245 Q C -0.849 175.230 176.000 0.131 0.000 1.077 245 Q CA -0.856 55.028 55.803 0.135 0.000 0.820 245 Q CB 2.847 31.595 28.738 0.018 0.000 1.347 245 Q HN 0.847 nan 8.270 nan 0.000 0.444 246 M N -0.880 118.754 119.600 0.056 0.000 2.664 246 M HA 0.762 5.242 4.480 0.000 0.000 0.314 246 M C -1.302 174.892 176.300 -0.177 0.000 1.200 246 M CA -0.429 54.789 55.300 -0.136 0.000 0.916 246 M CB 2.039 34.363 32.600 -0.461 0.000 1.717 246 M HN 0.560 nan 8.290 nan 0.000 0.470 247 C N 1.424 120.617 119.300 -0.177 0.000 2.614 247 C HA 1.023 5.483 4.460 0.000 0.000 0.320 247 C C 0.587 175.473 174.990 -0.174 0.000 1.200 247 C CA 0.893 59.822 59.018 -0.149 0.000 1.700 247 C CB 1.032 28.704 27.740 -0.114 0.000 2.275 247 C HN 1.355 nan 8.230 nan 0.000 0.492 248 G N 3.389 112.102 108.800 -0.145 0.000 2.396 248 G HA2 0.122 4.082 3.960 0.000 0.000 0.254 248 G HA3 0.122 4.082 3.960 0.000 0.000 0.254 248 G C -1.506 173.308 174.900 -0.144 0.000 1.248 248 G CA -0.292 44.725 45.100 -0.138 0.000 1.033 248 G HN 0.853 nan 8.290 nan 0.000 0.502 249 E N -0.339 119.783 120.200 -0.130 0.000 2.166 249 E HA 0.712 5.062 4.350 0.000 0.000 0.275 249 E C 0.021 176.515 176.600 -0.176 0.000 0.941 249 E CA -0.957 55.365 56.400 -0.130 0.000 0.784 249 E CB 2.002 31.654 29.700 -0.079 0.000 1.115 249 E HN 0.631 nan 8.360 nan 0.000 0.399 250 L N 3.490 124.597 121.223 -0.194 0.000 2.455 250 L HA 0.257 4.597 4.340 0.000 0.000 0.272 250 L C -0.068 176.678 176.870 -0.206 0.000 1.174 250 L CA 0.147 54.843 54.840 -0.241 0.000 0.869 250 L CB 0.228 42.165 42.059 -0.203 0.000 1.130 250 L HN 0.477 nan 8.230 nan 0.000 0.474 251 R N 2.683 122.999 120.500 -0.306 0.000 2.548 251 R HA 0.115 4.455 4.340 0.000 0.000 0.280 251 R C 0.063 176.138 176.300 -0.376 0.000 1.061 251 R CA -0.617 55.279 56.100 -0.339 0.000 0.915 251 R CB 1.589 31.479 30.300 -0.682 0.000 1.210 251 R HN 0.713 nan 8.270 nan 0.000 0.442 252 D N 1.781 122.104 120.400 -0.129 0.000 2.393 252 D HA -0.205 4.435 4.640 0.000 0.000 0.220 252 D C 0.885 177.191 176.300 0.010 0.000 0.974 252 D CA 1.463 55.447 54.000 -0.026 0.000 0.931 252 D CB -0.052 40.784 40.800 0.061 0.000 0.889 252 D HN 0.715 nan 8.370 nan 0.000 0.512 253 Y N -0.693 119.611 120.300 0.007 0.000 2.457 253 Y HA 0.394 4.944 4.550 0.000 0.000 0.263 253 Y C 0.957 176.857 175.900 -0.001 0.000 1.164 253 Y CA -0.937 57.167 58.100 0.008 0.000 1.274 253 Y CB -0.320 38.145 38.460 0.010 0.000 1.097 253 Y HN -0.222 nan 8.280 nan 0.000 0.523 254 L N 2.943 123.981 121.223 -0.308 0.000 2.397 254 L HA 0.363 4.703 4.340 0.000 0.000 0.271 254 L C 0.204 177.017 176.870 -0.095 0.000 1.148 254 L CA -0.101 54.622 54.840 -0.195 0.000 0.825 254 L CB 0.610 42.562 42.059 -0.178 0.000 1.117 254 L HN 0.252 nan 8.230 nan 0.000 0.456 255 R N 2.074 122.425 120.500 -0.248 0.000 2.799 255 R HA 0.749 5.089 4.340 0.000 0.000 0.270 255 R C -1.544 174.433 176.300 -0.538 0.000 1.010 255 R CA -0.833 55.026 56.100 -0.403 0.000 0.916 255 R CB 2.388 32.416 30.300 -0.453 0.000 1.228 255 R HN 0.283 nan 8.270 nan 0.000 0.469 256 V N 0.789 120.481 119.914 -0.370 0.000 2.686 256 V HA 0.490 4.610 4.120 0.000 0.000 0.306 256 V C -0.617 175.455 176.094 -0.036 0.000 1.065 256 V CA -0.609 61.551 62.300 -0.233 0.000 0.894 256 V CB 2.420 34.032 31.823 -0.353 0.000 1.004 256 V HN 0.788 nan 8.190 nan 0.000 0.424 257 T N 3.578 118.188 114.554 0.092 0.000 2.861 257 T HA 0.721 5.071 4.350 0.000 0.000 0.287 257 T C -0.855 173.852 174.700 0.011 0.000 1.003 257 T CA -0.536 61.615 62.100 0.084 0.000 0.977 257 T CB 1.923 70.876 68.868 0.142 0.000 0.996 257 T HN 0.374 nan 8.240 nan 0.000 0.448 258 V N 3.061 122.965 119.914 -0.015 0.000 2.525 258 V HA 0.694 4.814 4.120 0.000 0.000 0.299 258 V C -0.440 175.638 176.094 -0.027 0.000 1.034 258 V CA -0.870 61.416 62.300 -0.023 0.000 0.863 258 V CB 1.869 33.669 31.823 -0.040 0.000 0.999 258 V HN 1.077 nan 8.190 nan 0.000 0.423 259 S N 5.037 120.737 115.700 0.001 0.000 2.526 259 S HA 0.863 5.333 4.470 0.000 0.000 0.293 259 S C -1.139 173.435 174.600 -0.044 0.000 1.092 259 S CA -0.770 57.387 58.200 -0.070 0.000 0.980 259 S CB 2.386 65.579 63.200 -0.011 0.000 1.048 259 S HN 0.474 nan 8.310 nan 0.000 0.483 260 L N 2.104 123.192 121.223 -0.225 0.000 2.322 260 L HA 0.731 5.071 4.340 0.000 0.000 0.281 260 L C -1.840 174.863 176.870 -0.278 0.000 1.014 260 L CA -0.459 54.328 54.840 -0.089 0.000 0.815 260 L CB 0.797 42.829 42.059 -0.045 0.000 1.247 260 L HN 0.891 nan 8.230 nan 0.000 0.421 261 W N 3.270 124.665 121.300 0.158 0.000 2.736 261 W HA 0.574 5.234 4.660 0.000 0.000 0.335 261 W C -0.487 176.160 176.519 0.214 0.000 1.059 261 W CA -0.580 56.853 57.345 0.147 0.000 1.226 261 W CB 1.619 31.121 29.460 0.070 0.000 1.416 261 W HN 0.434 nan 8.180 nan 0.000 0.505 262 Q N 2.667 122.716 119.800 0.416 0.000 2.644 262 Q HA 0.494 4.834 4.340 0.000 0.000 0.245 262 Q C 0.683 176.773 176.000 0.151 0.000 1.064 262 Q CA 0.598 56.500 55.803 0.164 0.000 0.860 262 Q CB 0.342 29.130 28.738 0.084 0.000 1.145 262 Q HN 0.733 nan 8.270 nan 0.000 0.515 263 G N 2.322 111.203 108.800 0.135 0.000 2.595 263 G HA2 -0.365 3.595 3.960 0.000 0.000 0.297 263 G HA3 -0.365 3.595 3.960 0.000 0.000 0.297 263 G C 0.666 175.637 174.900 0.119 0.000 1.181 263 G CA 0.321 45.468 45.100 0.077 0.000 0.963 263 G HN 0.515 nan 8.290 nan 0.000 0.541 264 E N 1.560 121.833 120.200 0.122 0.000 2.385 264 E HA 0.196 4.546 4.350 0.000 0.000 0.194 264 E C 1.261 178.081 176.600 0.367 0.000 1.013 264 E CA 0.924 57.408 56.400 0.140 0.000 0.866 264 E CB -0.123 29.625 29.700 0.080 0.000 0.832 264 E HN 0.473 nan 8.360 nan 0.000 0.500 265 T N 1.358 116.126 114.554 0.357 0.000 2.806 265 T HA 0.177 4.527 4.350 0.000 0.000 0.290 265 T C 0.088 174.925 174.700 0.228 0.000 0.966 265 T CA -0.348 61.932 62.100 0.301 0.000 1.060 265 T CB 1.587 70.535 68.868 0.132 0.000 0.927 265 T HN -0.069 nan 8.240 nan 0.000 0.485 266 Q N 2.862 122.512 119.800 -0.250 0.000 2.296 266 Q HA 0.287 4.627 4.340 0.000 0.000 0.257 266 Q C 0.316 176.040 176.000 -0.459 0.000 0.942 266 Q CA -0.397 54.780 55.803 -1.044 0.000 0.939 266 Q CB 0.929 28.755 28.738 -1.519 0.000 1.198 266 Q HN 0.583 nan 8.270 nan 0.000 0.429 267 V N 2.307 121.994 119.914 -0.379 0.000 2.685 267 V HA 0.334 4.454 4.120 0.000 0.000 0.244 267 V C 0.418 176.401 176.094 -0.184 0.000 1.054 267 V CA 0.963 63.164 62.300 -0.164 0.000 1.076 267 V CB 0.099 31.917 31.823 -0.008 0.000 0.725 267 V HN 0.761 nan 8.190 nan 0.000 0.467 268 A N -1.202 121.465 122.820 -0.256 0.000 2.599 268 A HA 0.750 5.070 4.320 0.000 0.000 0.294 268 A C -0.820 176.635 177.584 -0.216 0.000 1.055 268 A CA -0.049 51.872 52.037 -0.194 0.000 0.683 268 A CB 1.738 20.661 19.000 -0.129 0.000 1.278 268 A HN 0.029 nan 8.150 nan 0.000 0.412 269 S N -1.075 114.531 115.700 -0.157 0.000 2.579 269 S HA 0.895 5.365 4.470 0.000 0.000 0.272 269 S C -0.491 174.060 174.600 -0.082 0.000 1.141 269 S CA 0.146 58.270 58.200 -0.125 0.000 0.843 269 S CB 1.964 65.086 63.200 -0.130 0.000 1.122 269 S HN 2.313 nan 8.310 nan 0.000 0.468 270 G N 1.215 109.979 108.800 -0.061 0.000 2.759 270 G HA2 0.596 4.556 3.960 0.000 0.000 0.297 270 G HA3 0.596 4.556 3.960 0.000 0.000 0.297 270 G C -1.518 173.362 174.900 -0.033 0.000 1.434 270 G CA -0.381 44.690 45.100 -0.049 0.000 0.980 270 G HN 0.685 nan 8.290 nan 0.000 0.531 271 T N -0.203 114.336 114.554 -0.025 0.000 2.900 271 T HA 0.910 5.260 4.350 0.000 0.000 0.295 271 T C -0.170 174.505 174.700 -0.041 0.000 1.044 271 T CA 0.090 62.186 62.100 -0.007 0.000 0.995 271 T CB 1.870 70.768 68.868 0.050 0.000 1.072 271 T HN 1.781 nan 8.240 nan 0.000 0.473 272 A N 2.916 125.686 122.820 -0.083 0.000 2.566 272 A HA 0.915 5.235 4.320 0.000 0.000 0.290 272 A C -3.246 174.228 177.584 -0.184 0.000 1.071 272 A CA -1.417 50.551 52.037 -0.116 0.000 0.658 272 A CB 1.150 20.071 19.000 -0.132 0.000 1.285 272 A HN 0.537 nan 8.150 nan 0.000 0.427 273 P HA 0.656 nan 4.420 nan 0.000 0.292 273 P C -0.773 176.441 177.300 -0.145 0.000 1.300 273 P CA -0.482 62.552 63.100 -0.110 0.000 0.900 273 P CB 0.591 32.277 31.700 -0.024 0.000 1.139 274 F N 0.830 120.730 119.950 -0.083 0.000 2.535 274 F HA 0.413 4.940 4.527 0.000 0.000 0.332 274 F C 1.622 177.400 175.800 -0.036 0.000 1.208 274 F CA 1.925 59.887 58.000 -0.062 0.000 1.330 274 F CB -0.188 38.767 39.000 -0.074 0.000 1.167 274 F HN 0.629 nan 8.300 nan 0.000 0.597 275 G N 0.955 109.881 108.800 0.209 0.000 3.438 275 G HA2 0.374 4.334 3.960 0.000 0.000 0.684 275 G HA3 0.374 4.334 3.960 0.000 0.000 0.684 275 G C -0.482 174.462 174.900 0.073 0.000 1.192 275 G CA -0.792 44.384 45.100 0.126 0.000 1.013 275 G HN 1.060 nan 8.290 nan 0.000 0.530 276 G N 0.632 109.493 108.800 0.100 0.000 2.537 276 G HA2 0.754 4.714 3.960 0.000 0.000 0.297 276 G HA3 0.754 4.714 3.960 0.000 0.000 0.297 276 G C 0.061 174.994 174.900 0.055 0.000 1.310 276 G CA -0.323 44.827 45.100 0.084 0.000 1.027 276 G HN 0.895 nan 8.290 nan 0.000 0.505 277 E N -0.816 119.413 120.200 0.049 0.000 2.349 277 E HA 0.390 4.740 4.350 0.000 0.000 0.262 277 E C -0.318 176.299 176.600 0.029 0.000 1.088 277 E CA -0.660 55.758 56.400 0.029 0.000 0.899 277 E CB 0.798 30.511 29.700 0.022 0.000 1.044 277 E HN 0.232 nan 8.360 nan 0.000 0.420 278 I N 1.697 122.273 120.570 0.011 0.000 2.710 278 I HA -0.059 4.111 4.170 0.000 0.000 0.286 278 I C 1.004 177.125 176.117 0.007 0.000 1.181 278 I CA 0.580 61.879 61.300 -0.001 0.000 1.430 278 I CB 0.146 38.142 38.000 -0.007 0.000 1.367 278 I HN 0.651 nan 8.210 nan 0.000 0.577 279 I N 1.178 121.745 120.570 -0.005 0.000 4.124 279 I HA 0.416 4.586 4.170 0.000 0.000 0.311 279 I C 0.006 176.120 176.117 -0.005 0.000 1.259 279 I CA 0.471 61.778 61.300 0.011 0.000 1.315 279 I CB 0.133 38.163 38.000 0.051 0.000 1.223 279 I HN 0.618 nan 8.210 nan 0.000 0.441 280 D N -0.546 119.838 120.400 -0.027 0.000 2.946 280 D HA 0.208 4.848 4.640 0.000 0.000 0.337 280 D C 0.484 176.766 176.300 -0.029 0.000 1.332 280 D CA -0.431 53.555 54.000 -0.024 0.000 0.935 280 D CB 0.249 41.035 40.800 -0.023 0.000 1.440 280 D HN -0.086 nan 8.370 nan 0.000 0.540 281 E N -0.825 119.360 120.200 -0.025 0.000 2.209 281 E HA -0.075 4.275 4.350 0.000 0.000 0.196 281 E C 1.590 178.171 176.600 -0.032 0.000 0.993 281 E CA 1.172 57.557 56.400 -0.024 0.000 0.819 281 E CB -0.033 29.657 29.700 -0.018 0.000 0.745 281 E HN 0.250 nan 8.360 nan 0.000 0.477 282 R N -0.466 120.007 120.500 -0.046 0.000 2.276 282 R HA 0.224 4.564 4.340 0.000 0.000 0.196 282 R C 0.879 177.136 176.300 -0.071 0.000 0.961 282 R CA 0.698 56.764 56.100 -0.057 0.000 1.024 282 R CB 0.728 30.988 30.300 -0.067 0.000 0.940 282 R HN 0.213 nan 8.270 nan 0.000 0.480 283 G N -0.498 108.258 108.800 -0.073 0.000 2.295 283 G HA2 -0.079 3.881 3.960 0.000 0.000 0.195 283 G HA3 -0.079 3.881 3.960 0.000 0.000 0.195 283 G C -0.347 174.491 174.900 -0.104 0.000 1.269 283 G CA -0.639 44.416 45.100 -0.073 0.000 1.170 283 G HN 0.401 nan 8.290 nan 0.000 0.511 284 G N -1.813 106.921 108.800 -0.110 0.000 3.209 284 G HA2 0.635 4.595 3.960 0.000 0.000 0.236 284 G HA3 0.635 4.595 3.960 0.000 0.000 0.236 284 G C -1.524 173.228 174.900 -0.246 0.000 1.329 284 G CA -0.767 44.259 45.100 -0.124 0.000 1.015 284 G HN 0.721 nan 8.290 nan 0.000 0.571 285 Y N 0.767 121.081 120.300 0.022 0.000 2.404 285 Y HA 0.449 4.999 4.550 0.000 0.000 0.344 285 Y C 1.373 177.300 175.900 0.046 0.000 0.970 285 Y CA 0.019 58.137 58.100 0.031 0.000 1.180 285 Y CB 1.876 40.360 38.460 0.041 0.000 1.138 285 Y HN 0.525 nan 8.280 nan 0.000 0.510 286 A N 1.850 124.750 122.820 0.134 0.000 1.968 286 A HA -0.138 4.182 4.320 0.000 0.000 0.217 286 A C 1.280 178.951 177.584 0.147 0.000 1.169 286 A CA 1.495 53.593 52.037 0.102 0.000 0.638 286 A CB -0.237 18.781 19.000 0.029 0.000 0.812 286 A HN 0.788 nan 8.150 nan 0.000 0.446 287 D N -0.524 119.962 120.400 0.144 0.000 2.491 287 D HA 0.166 4.806 4.640 0.000 0.000 0.228 287 D C 0.332 176.809 176.300 0.296 0.000 1.183 287 D CA -0.130 53.895 54.000 0.041 0.000 0.827 287 D CB -0.111 40.658 40.800 -0.051 0.000 0.989 287 D HN 0.424 nan 8.370 nan 0.000 0.494 288 R N -0.951 119.820 120.500 0.452 0.000 2.799 288 R HA 0.766 5.106 4.340 0.000 0.000 0.270 288 R C -1.557 174.847 176.300 0.174 0.000 1.010 288 R CA -1.228 55.069 56.100 0.328 0.000 0.916 288 R CB 2.819 33.169 30.300 0.083 0.000 1.228 288 R HN -0.014 nan 8.270 nan 0.000 0.469 289 V N 0.160 120.033 119.914 -0.068 0.000 3.000 289 V HA 0.500 4.620 4.120 0.000 0.000 0.300 289 V C -1.611 174.392 176.094 -0.152 0.000 1.251 289 V CA -0.249 61.937 62.300 -0.189 0.000 0.972 289 V CB 2.714 34.258 31.823 -0.466 0.000 1.065 289 V HN 0.833 nan 8.190 nan 0.000 0.431 290 T N 7.317 121.807 114.554 -0.105 0.000 2.812 290 T HA 0.750 5.100 4.350 0.000 0.000 0.282 290 T C -0.970 173.683 174.700 -0.078 0.000 0.990 290 T CA -0.269 61.784 62.100 -0.079 0.000 0.960 290 T CB 1.186 70.028 68.868 -0.043 0.000 0.948 290 T HN 0.492 nan 8.240 nan 0.000 0.438 291 L N 2.926 124.105 121.223 -0.074 0.000 2.330 291 L HA 0.647 4.987 4.340 0.000 0.000 0.271 291 L C 0.404 177.243 176.870 -0.051 0.000 1.013 291 L CA -0.683 54.116 54.840 -0.067 0.000 0.816 291 L CB 1.234 43.248 42.059 -0.074 0.000 1.287 291 L HN 0.415 nan 8.230 nan 0.000 0.435 292 R N 2.838 123.308 120.500 -0.050 0.000 2.451 292 R HA 0.660 5.000 4.340 0.000 0.000 0.307 292 R C -1.498 174.772 176.300 -0.050 0.000 0.965 292 R CA -0.617 55.455 56.100 -0.048 0.000 0.865 292 R CB 1.461 31.733 30.300 -0.046 0.000 1.174 292 R HN 0.477 nan 8.270 nan 0.000 0.455 293 L N 2.618 123.812 121.223 -0.049 0.000 2.307 293 L HA 0.460 4.800 4.340 0.000 0.000 0.284 293 L C 0.056 176.894 176.870 -0.053 0.000 1.023 293 L CA -0.944 53.865 54.840 -0.052 0.000 0.810 293 L CB 1.492 43.521 42.059 -0.051 0.000 1.231 293 L HN 0.467 nan 8.230 nan 0.000 0.423 294 N N 1.926 120.589 118.700 -0.061 0.000 2.498 294 N HA 0.470 5.210 4.740 0.000 0.000 0.287 294 N C -1.003 174.455 175.510 -0.087 0.000 1.097 294 N CA -0.313 52.696 53.050 -0.068 0.000 0.973 294 N CB 2.847 41.298 38.487 -0.061 0.000 1.153 294 N HN 0.219 nan 8.380 nan 0.000 0.472 295 V N 2.020 121.867 119.914 -0.112 0.000 2.569 295 V HA 0.192 4.312 4.120 0.000 0.000 0.301 295 V C -0.135 175.874 176.094 -0.142 0.000 1.044 295 V CA -0.843 61.357 62.300 -0.167 0.000 0.874 295 V CB 2.061 33.691 31.823 -0.322 0.000 1.002 295 V HN 0.535 nan 8.190 nan 0.000 0.424 296 E N 3.707 123.847 120.200 -0.099 0.000 2.301 296 E HA 0.281 4.631 4.350 0.000 0.000 0.275 296 E C -0.090 176.479 176.600 -0.050 0.000 1.030 296 E CA -0.392 55.974 56.400 -0.057 0.000 0.852 296 E CB 0.662 30.341 29.700 -0.035 0.000 1.060 296 E HN 0.711 nan 8.360 nan 0.000 0.401 297 N N 1.342 120.035 118.700 -0.012 0.000 2.689 297 N HA -0.131 4.609 4.740 0.000 0.000 0.263 297 N C -2.386 173.120 175.510 -0.008 0.000 0.987 297 N CA 0.359 53.418 53.050 0.015 0.000 0.782 297 N CB -1.364 37.136 38.487 0.022 0.000 0.903 297 N HN 0.318 nan 8.380 nan 0.000 0.547 298 P HA 0.130 nan 4.420 nan 0.000 0.272 298 P C 0.100 177.415 177.300 0.026 0.000 1.230 298 P CA 0.165 63.154 63.100 -0.184 0.000 0.788 298 P CB 0.854 32.191 31.700 -0.603 0.000 0.949 299 K N 1.345 121.842 120.400 0.162 0.000 2.234 299 K HA 0.393 4.713 4.320 0.000 0.000 0.277 299 K C -0.156 176.611 176.600 0.278 0.000 1.038 299 K CA -0.540 55.854 56.287 0.178 0.000 0.888 299 K CB 0.492 33.064 32.500 0.120 0.000 1.091 299 K HN 0.382 nan 8.250 nan 0.000 0.467 300 L N 2.381 123.692 121.223 0.146 0.000 2.395 300 L HA 0.337 4.678 4.340 0.000 0.000 0.269 300 L C -0.113 176.843 176.870 0.142 0.000 1.133 300 L CA -0.794 54.140 54.840 0.158 0.000 0.812 300 L CB 0.416 42.426 42.059 -0.082 0.000 1.125 300 L HN 0.599 nan 8.230 nan 0.000 0.452 301 W N 2.894 124.232 121.300 0.062 0.000 2.376 301 W HA 0.497 5.157 4.660 0.000 0.000 0.322 301 W C -0.298 176.173 176.519 -0.079 0.000 1.160 301 W CA 0.128 57.487 57.345 0.024 0.000 1.218 301 W CB 1.268 30.789 29.460 0.102 0.000 1.205 301 W HN 0.609 nan 8.180 nan 0.000 0.559 302 S N 2.790 117.848 115.700 -1.070 0.000 2.588 302 S HA 0.611 5.081 4.470 0.000 0.000 0.269 302 S C 0.028 173.813 174.600 -1.358 0.000 1.157 302 S CA -0.439 57.240 58.200 -0.869 0.000 0.824 302 S CB 1.261 64.202 63.200 -0.432 0.000 1.126 302 S HN 0.814 nan 8.310 nan 0.000 0.464 303 A N 0.342 122.571 122.820 -0.985 0.000 2.066 303 A HA 0.044 4.364 4.320 0.000 0.000 0.218 303 A C 1.686 178.926 177.584 -0.574 0.000 1.157 303 A CA 1.268 52.692 52.037 -1.022 0.000 0.670 303 A CB -0.778 17.384 19.000 -1.397 0.000 0.804 303 A HN 0.863 nan 8.150 nan 0.000 0.453 304 E N -0.806 119.200 120.200 -0.324 0.000 2.106 304 E HA 0.030 4.380 4.350 0.000 0.000 0.192 304 E C -0.279 176.169 176.600 -0.254 0.000 0.984 304 E CA 0.778 57.061 56.400 -0.195 0.000 0.806 304 E CB 0.020 29.745 29.700 0.042 0.000 0.750 304 E HN 0.605 nan 8.360 nan 0.000 0.458 305 I N 0.947 121.310 120.570 -0.346 0.000 2.588 305 I HA 0.140 4.310 4.170 0.000 0.000 0.278 305 I C -2.623 173.223 176.117 -0.451 0.000 1.144 305 I CA -1.852 59.269 61.300 -0.299 0.000 1.074 305 I CB 2.152 40.036 38.000 -0.192 0.000 1.235 305 I HN -0.234 nan 8.210 nan 0.000 0.472 306 P HA 0.064 nan 4.420 nan 0.000 0.231 306 P C -0.496 176.795 177.300 -0.015 0.000 1.756 306 P CA -0.098 62.679 63.100 -0.539 0.000 0.990 306 P CB -0.371 31.232 31.700 -0.161 0.000 1.973 307 N N 1.782 120.493 118.700 0.017 0.000 2.468 307 N HA 0.128 4.868 4.740 0.000 0.000 0.265 307 N C 0.078 175.805 175.510 0.362 0.000 1.199 307 N CA 0.374 53.508 53.050 0.141 0.000 0.928 307 N CB 0.617 39.170 38.487 0.109 0.000 1.059 307 N HN 0.266 nan 8.380 nan 0.000 0.467 308 L N 2.369 123.715 121.223 0.205 0.000 2.319 308 L HA 0.525 4.865 4.340 0.000 0.000 0.267 308 L C -0.803 176.143 176.870 0.127 0.000 1.011 308 L CA -0.880 54.111 54.840 0.252 0.000 0.818 308 L CB 1.164 43.345 42.059 0.204 0.000 1.316 308 L HN 0.400 nan 8.230 nan 0.000 0.432 309 Y N -0.030 120.399 120.300 0.215 0.000 2.576 309 Y HA 0.566 5.116 4.550 0.000 0.000 0.346 309 Y C -0.338 175.670 175.900 0.180 0.000 1.018 309 Y CA -0.809 57.425 58.100 0.223 0.000 1.050 309 Y CB 2.096 40.742 38.460 0.310 0.000 1.280 309 Y HN 0.385 nan 8.280 nan 0.000 0.474 310 R N 1.244 121.981 120.500 0.394 0.000 2.445 310 R HA 0.869 5.209 4.340 0.000 0.000 0.308 310 R C -1.498 174.994 176.300 0.321 0.000 0.961 310 R CA -0.665 55.601 56.100 0.278 0.000 0.862 310 R CB 1.109 31.499 30.300 0.149 0.000 1.144 310 R HN 0.804 nan 8.270 nan 0.000 0.447 311 A N 3.804 126.755 122.820 0.218 0.000 2.331 311 A HA 0.588 4.908 4.320 0.000 0.000 0.320 311 A C -1.112 176.547 177.584 0.124 0.000 1.138 311 A CA -0.657 51.495 52.037 0.192 0.000 0.790 311 A CB 1.507 20.598 19.000 0.151 0.000 1.206 311 A HN 0.456 nan 8.150 nan 0.000 0.470 312 V N 2.170 122.161 119.914 0.129 0.000 2.448 312 V HA 0.526 4.646 4.120 0.000 0.000 0.295 312 V C -0.375 175.705 176.094 -0.024 0.000 1.025 312 V CA -0.692 61.628 62.300 0.034 0.000 0.859 312 V CB 1.398 33.247 31.823 0.043 0.000 0.988 312 V HN 0.582 nan 8.190 nan 0.000 0.431 313 V N 5.007 124.848 119.914 -0.121 0.000 2.334 313 V HA 0.439 4.559 4.120 0.000 0.000 0.281 313 V C -0.037 176.000 176.094 -0.096 0.000 1.016 313 V CA -0.480 61.719 62.300 -0.169 0.000 0.832 313 V CB 1.150 32.724 31.823 -0.414 0.000 0.999 313 V HN 1.046 nan 8.190 nan 0.000 0.439 314 E N 5.059 125.251 120.200 -0.013 0.000 2.176 314 E HA 0.577 4.927 4.350 0.000 0.000 0.267 314 E C -1.112 175.577 176.600 0.147 0.000 0.893 314 E CA -1.069 55.372 56.400 0.069 0.000 0.761 314 E CB 2.791 32.546 29.700 0.093 0.000 1.133 314 E HN 0.411 nan 8.360 nan 0.000 0.409 315 L N 5.314 126.593 121.223 0.093 0.000 2.255 315 L HA 0.285 4.625 4.340 0.000 0.000 0.289 315 L C -0.687 176.247 176.870 0.106 0.000 1.046 315 L CA 0.067 54.935 54.840 0.047 0.000 0.816 315 L CB -0.095 41.969 42.059 0.009 0.000 1.197 315 L HN 0.699 nan 8.230 nan 0.000 0.427 316 H N 1.206 120.295 119.070 0.032 0.000 2.942 316 H HA 0.618 5.174 4.556 0.000 0.000 0.316 316 H C -0.966 174.404 175.328 0.071 0.000 1.323 316 H CA -0.342 55.733 56.048 0.044 0.000 1.144 316 H CB 0.987 30.770 29.762 0.035 0.000 1.866 316 H HN 0.474 nan 8.280 nan 0.000 0.545 317 T N -2.825 111.865 114.554 0.226 0.000 2.927 317 T HA 0.526 4.876 4.350 0.000 0.000 0.281 317 T C 1.440 176.317 174.700 0.295 0.000 0.998 317 T CA -0.196 62.048 62.100 0.240 0.000 1.019 317 T CB 1.389 70.447 68.868 0.317 0.000 1.061 317 T HN 0.776 nan 8.240 nan 0.000 0.518 318 A N 1.004 123.968 122.820 0.240 0.000 2.024 318 A HA -0.086 4.234 4.320 0.000 0.000 0.220 318 A C 1.816 179.500 177.584 0.165 0.000 1.164 318 A CA 1.977 54.131 52.037 0.194 0.000 0.643 318 A CB -1.283 17.813 19.000 0.160 0.000 0.806 318 A HN 1.035 nan 8.150 nan 0.000 0.451 319 D N -2.970 117.516 120.400 0.142 0.000 2.269 319 D HA 0.268 4.908 4.640 0.000 0.000 0.208 319 D C 1.254 177.603 176.300 0.081 0.000 0.963 319 D CA 1.358 55.409 54.000 0.084 0.000 0.864 319 D CB -0.145 40.683 40.800 0.047 0.000 0.936 319 D HN 0.669 nan 8.370 nan 0.000 0.505 320 G N -1.269 107.606 108.800 0.125 0.000 2.367 320 G HA2 -0.199 3.761 3.960 0.000 0.000 0.181 320 G HA3 -0.199 3.761 3.960 0.000 0.000 0.181 320 G C 0.329 175.261 174.900 0.054 0.000 1.000 320 G CA -0.042 45.090 45.100 0.052 0.000 0.693 320 G HN 0.329 nan 8.290 nan 0.000 0.480 321 T N 2.138 116.753 114.554 0.101 0.000 2.817 321 T HA 0.405 4.755 4.350 0.000 0.000 0.295 321 T C 0.506 175.289 174.700 0.138 0.000 0.958 321 T CA 0.154 62.310 62.100 0.094 0.000 1.157 321 T CB 1.069 69.990 68.868 0.088 0.000 0.898 321 T HN 0.483 nan 8.240 nan 0.000 0.536 322 L N 4.860 126.141 121.223 0.097 0.000 2.331 322 L HA 0.256 4.596 4.340 0.000 0.000 0.278 322 L C 0.618 177.547 176.870 0.099 0.000 1.106 322 L CA -0.463 54.447 54.840 0.118 0.000 0.824 322 L CB 0.464 42.562 42.059 0.066 0.000 1.142 322 L HN 0.578 nan 8.230 nan 0.000 0.443 323 I N 3.319 123.948 120.570 0.099 0.000 2.494 323 I HA 0.104 4.274 4.170 0.000 0.000 0.250 323 I C 0.602 176.734 176.117 0.025 0.000 1.112 323 I CA 0.802 62.131 61.300 0.049 0.000 1.438 323 I CB -0.176 37.838 38.000 0.022 0.000 1.111 323 I HN 0.801 nan 8.210 nan 0.000 0.431 324 E N -0.595 119.624 120.200 0.032 0.000 2.421 324 E HA 0.675 5.025 4.350 0.000 0.000 0.278 324 E C -1.674 174.950 176.600 0.040 0.000 1.141 324 E CA -1.035 55.381 56.400 0.027 0.000 0.880 324 E CB 0.980 30.661 29.700 -0.031 0.000 1.381 324 E HN -0.073 nan 8.360 nan 0.000 0.436 325 A N 0.926 123.797 122.820 0.084 0.000 2.539 325 A HA 0.738 5.058 4.320 0.000 0.000 0.296 325 A C -1.255 176.453 177.584 0.208 0.000 1.073 325 A CA -0.687 51.406 52.037 0.093 0.000 0.700 325 A CB 1.911 20.954 19.000 0.072 0.000 1.296 325 A HN 0.515 nan 8.150 nan 0.000 0.405 326 E N -0.451 119.803 120.200 0.090 0.000 2.393 326 E HA 0.766 5.116 4.350 0.000 0.000 0.273 326 E C -0.631 175.993 176.600 0.040 0.000 0.918 326 E CA -0.621 55.902 56.400 0.205 0.000 0.773 326 E CB 2.510 32.278 29.700 0.113 0.000 1.275 326 E HN 1.162 nan 8.360 nan 0.000 0.451 327 A N 0.180 123.136 122.820 0.227 0.000 2.588 327 A HA 0.859 5.179 4.320 0.000 0.000 0.290 327 A C -1.116 176.648 177.584 0.300 0.000 1.136 327 A CA -0.393 51.711 52.037 0.112 0.000 0.681 327 A CB 1.194 20.131 19.000 -0.105 0.000 1.282 327 A HN 0.935 nan 8.150 nan 0.000 0.421 328 C N -0.816 118.619 119.300 0.226 0.000 3.292 328 C HA 0.728 5.188 4.460 0.000 0.000 0.338 328 C C -1.543 173.533 174.990 0.144 0.000 1.323 328 C CA -0.987 58.157 59.018 0.211 0.000 1.232 328 C CB 0.887 28.766 27.740 0.232 0.000 1.517 328 C HN 0.829 nan 8.230 nan 0.000 0.470 329 D N 0.825 121.288 120.400 0.105 0.000 2.264 329 D HA 0.573 5.213 4.640 0.000 0.000 0.249 329 D C -0.508 175.828 176.300 0.061 0.000 1.070 329 D CA 0.154 54.216 54.000 0.103 0.000 0.912 329 D CB 2.081 42.941 40.800 0.101 0.000 1.193 329 D HN 0.529 nan 8.370 nan 0.000 0.427 330 V N 0.691 120.670 119.914 0.107 0.000 2.656 330 V HA 0.645 4.765 4.120 0.000 0.000 0.307 330 V C 0.367 176.501 176.094 0.066 0.000 1.051 330 V CA -0.732 61.577 62.300 0.015 0.000 0.893 330 V CB 2.197 34.018 31.823 -0.003 0.000 0.999 330 V HN 0.645 nan 8.190 nan 0.000 0.426 331 G N 2.765 111.491 108.800 -0.124 0.000 2.544 331 G HA2 0.642 4.602 3.960 0.000 0.000 0.313 331 G HA3 0.642 4.602 3.960 0.000 0.000 0.313 331 G C -1.240 173.646 174.900 -0.022 0.000 1.316 331 G CA -0.399 44.702 45.100 0.001 0.000 0.944 331 G HN 0.410 nan 8.290 nan 0.000 0.489 332 F N 2.259 122.391 119.950 0.303 0.000 2.404 332 F HA 0.560 5.087 4.527 0.000 0.000 0.359 332 F C 0.919 176.959 175.800 0.400 0.000 1.134 332 F CA -0.301 57.932 58.000 0.388 0.000 1.160 332 F CB 1.105 40.352 39.000 0.412 0.000 1.186 332 F HN 0.552 nan 8.300 nan 0.000 0.526 333 R N 1.211 122.012 120.500 0.501 0.000 2.634 333 R HA 0.461 4.801 4.340 0.000 0.000 0.263 333 R C -1.761 174.685 176.300 0.244 0.000 1.060 333 R CA -1.073 55.172 56.100 0.242 0.000 0.898 333 R CB 1.423 31.886 30.300 0.270 0.000 1.253 333 R HN 0.458 nan 8.270 nan 0.000 0.461 334 E N 2.100 122.344 120.200 0.074 0.000 2.199 334 E HA 0.475 4.825 4.350 0.000 0.000 0.265 334 E C -1.289 175.367 176.600 0.093 0.000 0.882 334 E CA -1.019 55.478 56.400 0.162 0.000 0.759 334 E CB 2.021 31.852 29.700 0.218 0.000 1.148 334 E HN 0.430 nan 8.360 nan 0.000 0.412 335 V N 5.487 125.455 119.914 0.090 0.000 2.417 335 V HA 0.584 4.704 4.120 0.000 0.000 0.291 335 V C -0.182 175.944 176.094 0.054 0.000 1.024 335 V CA -0.557 61.770 62.300 0.045 0.000 0.861 335 V CB 1.260 33.090 31.823 0.013 0.000 0.985 335 V HN 0.752 nan 8.190 nan 0.000 0.436 336 R N 4.461 124.989 120.500 0.046 0.000 2.692 336 R HA 0.689 5.029 4.340 0.000 0.000 0.269 336 R C -2.104 174.217 176.300 0.034 0.000 1.030 336 R CA -0.864 55.266 56.100 0.050 0.000 0.882 336 R CB 1.742 32.085 30.300 0.072 0.000 1.250 336 R HN 0.531 nan 8.270 nan 0.000 0.465 337 I N 1.834 122.425 120.570 0.035 0.000 2.330 337 I HA 0.328 4.498 4.170 0.000 0.000 0.289 337 I C -0.558 175.577 176.117 0.031 0.000 1.001 337 I CA -0.356 60.960 61.300 0.027 0.000 1.193 337 I CB 1.698 39.715 38.000 0.029 0.000 1.345 337 I HN 0.668 nan 8.210 nan 0.000 0.461 338 E N 6.265 126.480 120.200 0.024 0.000 2.263 338 E HA 0.222 4.572 4.350 0.000 0.000 0.268 338 E C -0.387 176.224 176.600 0.018 0.000 0.884 338 E CA -0.627 55.789 56.400 0.026 0.000 0.766 338 E CB 1.048 30.769 29.700 0.034 0.000 1.196 338 E HN 0.549 nan 8.360 nan 0.000 0.416 339 N N 3.441 122.152 118.700 0.018 0.000 2.725 339 N HA -0.233 4.507 4.740 0.000 0.000 0.251 339 N C 0.427 175.942 175.510 0.007 0.000 1.031 339 N CA 1.960 55.018 53.050 0.013 0.000 0.720 339 N CB -1.236 37.258 38.487 0.011 0.000 0.930 339 N HN 0.973 nan 8.380 nan 0.000 0.543 340 G N -1.985 106.820 108.800 0.007 0.000 2.179 340 G HA2 -0.283 3.677 3.960 0.000 0.000 0.260 340 G HA3 -0.283 3.677 3.960 0.000 0.000 0.260 340 G C -0.028 174.866 174.900 -0.010 0.000 0.977 340 G CA 0.623 45.723 45.100 0.001 0.000 0.641 340 G HN 0.520 nan 8.290 nan 0.000 0.533 341 L N -0.164 121.054 121.223 -0.008 0.000 2.354 341 L HA 0.748 5.088 4.340 0.000 0.000 0.269 341 L C -0.103 176.756 176.870 -0.018 0.000 1.005 341 L CA -1.361 53.467 54.840 -0.021 0.000 0.819 341 L CB 1.898 43.943 42.059 -0.022 0.000 1.311 341 L HN 0.077 nan 8.230 nan 0.000 0.423 342 L N 3.735 124.936 121.223 -0.038 0.000 2.260 342 L HA 0.515 4.855 4.340 0.000 0.000 0.289 342 L C -0.862 175.982 176.870 -0.043 0.000 1.057 342 L CA 0.295 55.111 54.840 -0.039 0.000 0.811 342 L CB 0.483 42.505 42.059 -0.061 0.000 1.184 342 L HN 0.378 nan 8.230 nan 0.000 0.429 343 L N 5.672 126.884 121.223 -0.017 0.000 2.333 343 L HA 0.612 4.952 4.340 0.000 0.000 0.269 343 L C -0.869 176.001 176.870 0.001 0.000 1.010 343 L CA -0.842 53.995 54.840 -0.004 0.000 0.818 343 L CB 1.993 44.071 42.059 0.031 0.000 1.306 343 L HN 0.558 nan 8.230 nan 0.000 0.430 344 L N 2.695 123.929 121.223 0.019 0.000 2.376 344 L HA 0.495 4.835 4.340 0.000 0.000 0.275 344 L C -0.474 176.427 176.870 0.052 0.000 0.987 344 L CA -0.233 54.629 54.840 0.036 0.000 0.828 344 L CB 1.098 43.175 42.059 0.031 0.000 1.249 344 L HN 0.648 nan 8.230 nan 0.000 0.409 345 N N 4.114 122.740 118.700 -0.123 0.000 2.716 345 N HA -0.226 4.514 4.740 0.000 0.000 0.250 345 N C 0.894 176.163 175.510 -0.403 0.000 1.033 345 N CA 1.412 54.135 53.050 -0.546 0.000 0.727 345 N CB -1.162 36.889 38.487 -0.727 0.000 0.950 345 N HN 1.172 nan 8.380 nan 0.000 0.541 346 G N -1.992 106.793 108.800 -0.024 0.000 2.225 346 G HA2 -0.346 3.614 3.960 0.000 0.000 0.254 346 G HA3 -0.346 3.614 3.960 0.000 0.000 0.254 346 G C -0.058 174.880 174.900 0.063 0.000 0.988 346 G CA 0.842 46.007 45.100 0.109 0.000 0.625 346 G HN 0.501 nan 8.290 nan 0.000 0.527 347 K N 0.995 121.424 120.400 0.049 0.000 2.208 347 K HA 0.547 4.867 4.320 0.000 0.000 0.247 347 K C -3.019 173.562 176.600 -0.033 0.000 0.953 347 K CA -2.111 54.163 56.287 -0.021 0.000 0.837 347 K CB 2.676 35.086 32.500 -0.150 0.000 1.131 347 K HN 0.048 nan 8.250 nan 0.000 0.431 348 P HA 0.216 nan 4.420 nan 0.000 0.282 348 P C -0.250 176.989 177.300 -0.101 0.000 1.274 348 P CA -0.175 62.882 63.100 -0.072 0.000 0.770 348 P CB 0.552 32.211 31.700 -0.069 0.000 0.867 349 L N 3.412 124.570 121.223 -0.109 0.000 2.456 349 L HA 0.421 4.761 4.340 0.000 0.000 0.257 349 L C 0.433 177.219 176.870 -0.139 0.000 1.162 349 L CA -0.804 53.960 54.840 -0.128 0.000 0.808 349 L CB 0.567 42.517 42.059 -0.181 0.000 1.136 349 L HN 0.236 nan 8.230 nan 0.000 0.466 350 L N 2.777 123.929 121.223 -0.117 0.000 2.471 350 L HA 0.414 4.754 4.340 0.000 0.000 0.263 350 L C -0.706 176.104 176.870 -0.099 0.000 0.985 350 L CA -0.198 54.557 54.840 -0.141 0.000 0.868 350 L CB 0.998 43.001 42.059 -0.094 0.000 1.203 350 L HN 0.217 nan 8.230 nan 0.000 0.429 351 I N 4.515 124.963 120.570 -0.203 0.000 2.436 351 I HA 0.213 4.383 4.170 0.000 0.000 0.289 351 I C 0.565 176.609 176.117 -0.122 0.000 1.083 351 I CA 0.128 61.314 61.300 -0.189 0.000 1.372 351 I CB 0.523 38.288 38.000 -0.393 0.000 1.408 351 I HN 0.552 nan 8.210 nan 0.000 0.516 352 R N 4.745 125.251 120.500 0.010 0.000 3.070 352 R HA 0.448 4.788 4.340 0.000 0.000 0.252 352 R C 0.545 176.918 176.300 0.123 0.000 1.370 352 R CA -0.262 55.868 56.100 0.051 0.000 1.482 352 R CB 0.752 30.948 30.300 -0.172 0.000 1.220 352 R HN 0.774 nan 8.270 nan 0.000 0.622 353 G N 0.076 108.897 108.800 0.036 0.000 2.509 353 G HA2 0.592 4.552 3.960 0.000 0.000 0.328 353 G HA3 0.592 4.552 3.960 0.000 0.000 0.328 353 G C -1.264 173.925 174.900 0.482 0.000 1.194 353 G CA -0.482 44.647 45.100 0.047 0.000 0.967 353 G HN 0.229 nan 8.290 nan 0.000 0.488 354 V N 0.223 120.460 119.914 0.538 0.000 3.012 354 V HA 0.462 4.582 4.120 0.000 0.000 0.307 354 V C -1.168 175.070 176.094 0.240 0.000 1.166 354 V CA -1.197 61.293 62.300 0.316 0.000 0.974 354 V CB 2.243 33.971 31.823 -0.158 0.000 1.040 354 V HN 0.783 nan 8.190 nan 0.000 0.428 355 N N 4.272 123.021 118.700 0.082 0.000 2.518 355 N HA 0.518 5.258 4.740 0.000 0.000 0.283 355 N C -0.799 174.500 175.510 -0.352 0.000 1.119 355 N CA -0.423 52.532 53.050 -0.159 0.000 0.983 355 N CB 1.755 40.134 38.487 -0.180 0.000 1.139 355 N HN 0.670 nan 8.380 nan 0.000 0.465 356 R N 1.689 121.944 120.500 -0.408 0.000 2.533 356 R HA 0.251 4.591 4.340 0.000 0.000 0.288 356 R C -1.191 174.860 176.300 -0.415 0.000 1.039 356 R CA -0.557 55.316 56.100 -0.378 0.000 0.909 356 R CB 1.090 31.175 30.300 -0.358 0.000 1.195 356 R HN 0.579 nan 8.270 nan 0.000 0.438 357 H N 2.003 120.919 119.070 -0.257 0.000 2.495 357 H HA 0.171 4.727 4.556 0.000 0.000 0.350 357 H C -0.549 174.761 175.328 -0.030 0.000 1.202 357 H CA -0.212 55.772 56.048 -0.106 0.000 1.322 357 H CB 1.667 31.422 29.762 -0.011 0.000 1.544 357 H HN 0.565 nan 8.280 nan 0.000 0.565 358 E N 1.658 122.039 120.200 0.302 0.000 1.963 358 E HA 0.106 4.456 4.350 0.000 0.000 0.274 358 E C -0.765 175.959 176.600 0.207 0.000 1.061 358 E CA 0.008 56.499 56.400 0.151 0.000 0.847 358 E CB 0.148 29.944 29.700 0.161 0.000 1.083 358 E HN 0.398 nan 8.360 nan 0.000 0.402 359 H N 1.603 120.710 119.070 0.062 0.000 2.947 359 H HA 0.229 4.785 4.556 0.000 0.000 0.354 359 H C -1.648 173.706 175.328 0.043 0.000 1.085 359 H CA -0.696 55.383 56.048 0.052 0.000 1.253 359 H CB 1.027 30.810 29.762 0.035 0.000 1.757 359 H HN 0.362 nan 8.280 nan 0.000 0.523 360 H N 6.528 125.276 119.070 -0.538 0.000 2.744 360 H HA 0.196 4.752 4.556 0.000 0.000 0.339 360 H C -2.216 172.699 175.328 -0.689 0.000 1.004 360 H CA -2.441 53.338 56.048 -0.448 0.000 1.257 360 H CB 2.439 32.057 29.762 -0.240 0.000 1.552 360 H HN 0.558 nan 8.280 nan 0.000 0.522 361 P HA -0.154 nan 4.420 nan 0.000 0.216 361 P C 1.394 178.581 177.300 -0.187 0.000 1.150 361 P CA 1.020 63.931 63.100 -0.314 0.000 0.843 361 P CB 0.797 32.340 31.700 -0.263 0.000 0.787 362 L N -2.011 119.232 121.223 0.033 0.000 2.262 362 L HA 0.051 4.391 4.340 0.000 0.000 0.197 362 L C 2.445 179.227 176.870 -0.147 0.000 1.073 362 L CA 0.847 55.635 54.840 -0.087 0.000 0.800 362 L CB -0.767 41.126 42.059 -0.277 0.000 0.987 362 L HN 0.013 nan 8.230 nan 0.000 0.470 363 H N -0.486 118.508 119.070 -0.126 0.000 2.547 363 H HA 0.161 4.717 4.556 0.000 0.000 0.266 363 H C 1.450 176.644 175.328 -0.223 0.000 0.988 363 H CA 0.078 55.958 56.048 -0.280 0.000 1.147 363 H CB 0.240 29.713 29.762 -0.482 0.000 1.365 363 H HN 0.471 nan 8.280 nan 0.000 0.589 364 G N 1.551 110.254 108.800 -0.162 0.000 2.543 364 G HA2 -0.403 3.557 3.960 0.000 0.000 0.286 364 G HA3 -0.403 3.557 3.960 0.000 0.000 0.286 364 G C 0.581 175.371 174.900 -0.183 0.000 1.153 364 G CA 0.351 45.290 45.100 -0.267 0.000 0.968 364 G HN 0.478 nan 8.290 nan 0.000 0.544 365 Q N 0.080 119.785 119.800 -0.158 0.000 2.247 365 Q HA 0.444 4.784 4.340 0.000 0.000 0.205 365 Q C 0.303 176.324 176.000 0.035 0.000 0.896 365 Q CA -0.037 55.702 55.803 -0.107 0.000 0.950 365 Q CB 0.770 29.336 28.738 -0.286 0.000 1.054 365 Q HN 0.372 nan 8.270 nan 0.000 0.482 366 V N 1.867 121.808 119.914 0.046 0.000 2.432 366 V HA 0.212 4.332 4.120 0.000 0.000 0.275 366 V C 0.127 176.259 176.094 0.065 0.000 1.043 366 V CA -0.255 62.097 62.300 0.087 0.000 0.925 366 V CB 0.999 32.825 31.823 0.006 0.000 0.985 366 V HN 0.323 nan 8.190 nan 0.000 0.466 367 M N 4.442 124.080 119.600 0.064 0.000 2.471 367 M HA 0.562 5.042 4.480 0.000 0.000 0.309 367 M C -0.445 175.811 176.300 -0.072 0.000 1.186 367 M CA -0.600 54.697 55.300 -0.005 0.000 1.008 367 M CB 1.454 34.008 32.600 -0.077 0.000 1.551 367 M HN 0.973 nan 8.290 nan 0.000 0.477 368 D N -2.281 118.082 120.400 -0.062 0.000 2.655 368 D HA 0.213 4.853 4.640 0.000 0.000 0.229 368 D C 0.195 176.490 176.300 -0.008 0.000 1.229 368 D CA -0.692 53.279 54.000 -0.049 0.000 0.807 368 D CB 1.294 42.100 40.800 0.010 0.000 1.514 368 D HN 0.664 nan 8.370 nan 0.000 0.444 369 E N 0.118 120.323 120.200 0.008 0.000 2.086 369 E HA -0.410 3.940 4.350 0.000 0.000 0.205 369 E C 1.627 178.282 176.600 0.091 0.000 1.027 369 E CA 1.846 58.284 56.400 0.064 0.000 0.830 369 E CB 0.063 29.814 29.700 0.085 0.000 0.751 369 E HN 0.571 nan 8.360 nan 0.000 0.456 370 Q N -0.332 119.520 119.800 0.087 0.000 2.077 370 Q HA -0.199 4.141 4.340 0.000 0.000 0.206 370 Q C 2.216 178.280 176.000 0.106 0.000 0.989 370 Q CA 2.506 58.367 55.803 0.097 0.000 0.853 370 Q CB -0.333 28.462 28.738 0.095 0.000 0.907 370 Q HN 0.375 nan 8.270 nan 0.000 0.418 371 T N 1.162 115.786 114.554 0.118 0.000 2.674 371 T HA -0.153 4.197 4.350 0.000 0.000 0.265 371 T C 2.010 176.788 174.700 0.131 0.000 1.039 371 T CA 1.634 63.812 62.100 0.130 0.000 1.150 371 T CB -0.246 68.715 68.868 0.155 0.000 0.864 371 T HN 0.299 nan 8.240 nan 0.000 0.427 372 M N 0.714 120.395 119.600 0.135 0.000 2.113 372 M HA -0.182 4.298 4.480 0.000 0.000 0.255 372 M C 2.450 178.879 176.300 0.215 0.000 1.073 372 M CA 1.682 57.125 55.300 0.238 0.000 1.091 372 M CB -0.925 31.844 32.600 0.281 0.000 1.309 372 M HN 0.125 nan 8.290 nan 0.000 0.407 373 V N -0.136 119.851 119.914 0.122 0.000 2.332 373 V HA -0.305 3.815 4.120 0.000 0.000 0.248 373 V C 2.289 178.378 176.094 -0.008 0.000 1.055 373 V CA 2.052 64.357 62.300 0.009 0.000 1.038 373 V CB -0.966 30.884 31.823 0.045 0.000 0.651 373 V HN 0.552 nan 8.190 nan 0.000 0.450 374 Q N -0.193 119.648 119.800 0.068 0.000 2.045 374 Q HA -0.288 4.052 4.340 0.000 0.000 0.206 374 Q C 2.115 178.192 176.000 0.128 0.000 0.991 374 Q CA 2.279 58.136 55.803 0.090 0.000 0.851 374 Q CB -0.178 28.628 28.738 0.112 0.000 0.911 374 Q HN 0.625 nan 8.270 nan 0.000 0.418 375 D N 0.246 120.749 120.400 0.172 0.000 2.116 375 D HA -0.189 4.451 4.640 0.000 0.000 0.193 375 D C 1.884 178.178 176.300 -0.009 0.000 0.998 375 D CA 1.218 55.342 54.000 0.206 0.000 0.836 375 D CB -0.312 40.582 40.800 0.158 0.000 0.951 375 D HN 0.336 nan 8.370 nan 0.000 0.449 376 I N 0.643 121.182 120.570 -0.052 0.000 2.163 376 I HA -0.263 3.907 4.170 0.000 0.000 0.243 376 I C 2.467 178.475 176.117 -0.181 0.000 1.085 376 I CA 0.712 61.885 61.300 -0.211 0.000 1.347 376 I CB -0.208 37.571 38.000 -0.367 0.000 1.044 376 I HN 0.062 nan 8.210 nan 0.000 0.408 377 L N 0.211 121.361 121.223 -0.121 0.000 2.012 377 L HA -0.262 4.078 4.340 0.000 0.000 0.210 377 L C 2.643 179.583 176.870 0.117 0.000 1.073 377 L CA 1.731 56.573 54.840 0.003 0.000 0.748 377 L CB -0.822 41.252 42.059 0.025 0.000 0.891 377 L HN 0.341 nan 8.230 nan 0.000 0.431 378 L N -0.860 120.460 121.223 0.162 0.000 1.989 378 L HA -0.299 4.041 4.340 0.000 0.000 0.211 378 L C 2.809 179.852 176.870 0.289 0.000 1.071 378 L CA 1.576 56.589 54.840 0.289 0.000 0.749 378 L CB -0.409 41.946 42.059 0.493 0.000 0.890 378 L HN 0.313 nan 8.230 nan 0.000 0.431 379 M N -0.621 119.015 119.600 0.060 0.000 2.073 379 M HA -0.280 4.200 4.480 0.000 0.000 0.258 379 M C 2.348 178.726 176.300 0.131 0.000 1.070 379 M CA 1.876 57.130 55.300 -0.077 0.000 1.103 379 M CB -0.504 31.829 32.600 -0.445 0.000 1.321 379 M HN 0.135 nan 8.290 nan 0.000 0.405 380 K N 0.199 120.574 120.400 -0.042 0.000 2.063 380 K HA -0.212 4.108 4.320 0.000 0.000 0.208 380 K C 1.903 178.474 176.600 -0.048 0.000 1.048 380 K CA 1.595 57.748 56.287 -0.222 0.000 0.928 380 K CB -0.326 31.854 32.500 -0.532 0.000 0.713 380 K HN 0.557 nan 8.250 nan 0.000 0.442 381 Q N 0.112 120.048 119.800 0.226 0.000 2.291 381 Q HA -0.035 4.305 4.340 0.000 0.000 0.205 381 Q C 0.990 177.268 176.000 0.463 0.000 0.970 381 Q CA 0.625 56.682 55.803 0.423 0.000 0.876 381 Q CB 0.071 29.040 28.738 0.385 0.000 0.935 381 Q HN 0.286 nan 8.270 nan 0.000 0.455 382 N N 0.681 119.623 118.700 0.404 0.000 2.251 382 N HA 0.039 4.779 4.740 0.000 0.000 0.217 382 N C -0.536 175.109 175.510 0.224 0.000 1.124 382 N CA 0.073 53.362 53.050 0.399 0.000 0.843 382 N CB 0.648 39.443 38.487 0.514 0.000 1.024 382 N HN 0.176 nan 8.380 nan 0.000 0.501 383 N N -0.135 118.687 118.700 0.202 0.000 2.882 383 N HA -0.168 4.572 4.740 0.000 0.000 0.249 383 N C -0.766 174.655 175.510 -0.147 0.000 1.079 383 N CA 0.629 53.717 53.050 0.063 0.000 0.800 383 N CB -1.798 36.627 38.487 -0.104 0.000 1.124 383 N HN 0.213 nan 8.380 nan 0.000 0.557 384 F N 1.343 121.304 119.950 0.018 0.000 2.371 384 F HA 0.338 4.865 4.527 0.000 0.000 0.329 384 F C 1.833 177.619 175.800 -0.023 0.000 1.107 384 F CA -0.306 57.687 58.000 -0.011 0.000 1.137 384 F CB 0.775 39.742 39.000 -0.054 0.000 1.214 384 F HN 0.067 nan 8.300 nan 0.000 0.536 385 N N 0.420 119.239 118.700 0.198 0.000 2.118 385 N HA 0.406 5.146 4.740 0.000 0.000 0.226 385 N C -0.873 174.701 175.510 0.106 0.000 1.305 385 N CA 0.062 53.163 53.050 0.084 0.000 0.890 385 N CB 0.703 39.281 38.487 0.151 0.000 1.118 385 N HN 0.472 nan 8.380 nan 0.000 0.511 386 A N -0.348 122.599 122.820 0.211 0.000 2.606 386 A HA 0.768 5.088 4.320 0.000 0.000 0.293 386 A C -1.706 176.100 177.584 0.369 0.000 1.082 386 A CA -0.607 51.612 52.037 0.304 0.000 0.685 386 A CB 1.790 21.017 19.000 0.379 0.000 1.284 386 A HN 0.364 nan 8.150 nan 0.000 0.408 387 V N 0.969 121.124 119.914 0.401 0.000 2.971 387 V HA 0.832 4.952 4.120 0.000 0.000 0.309 387 V C -0.826 175.354 176.094 0.143 0.000 1.130 387 V CA -0.742 61.743 62.300 0.308 0.000 0.964 387 V CB 1.947 33.841 31.823 0.119 0.000 1.029 387 V HN 1.172 nan 8.190 nan 0.000 0.427 388 R N 4.707 125.123 120.500 -0.141 0.000 2.387 388 R HA 0.497 4.837 4.340 0.000 0.000 0.314 388 R C -0.765 175.369 176.300 -0.277 0.000 0.958 388 R CA -0.477 55.386 56.100 -0.395 0.000 0.846 388 R CB 1.158 30.943 30.300 -0.858 0.000 1.147 388 R HN 0.855 nan 8.270 nan 0.000 0.447 389 C N 4.342 123.518 119.300 -0.206 0.000 3.329 389 C HA 0.100 4.560 4.460 0.000 0.000 0.537 389 C C 0.515 175.209 174.990 -0.493 0.000 1.034 389 C CA -0.452 58.398 59.018 -0.280 0.000 1.086 389 C CB -2.178 25.508 27.740 -0.091 0.000 1.392 389 C HN 0.700 nan 8.230 nan 0.000 0.612 390 S N 1.475 116.762 115.700 -0.689 0.000 2.465 390 S HA 0.167 4.637 4.470 0.000 0.000 0.280 390 S C -0.123 173.613 174.600 -1.439 0.000 1.232 390 S CA 0.153 57.668 58.200 -1.141 0.000 1.066 390 S CB 0.067 62.496 63.200 -1.285 0.000 0.929 390 S HN 0.738 nan 8.310 nan 0.000 0.494 391 H N 3.490 121.934 119.070 -1.043 0.000 2.597 391 H HA 0.302 4.858 4.556 0.000 0.000 0.225 391 H C -1.179 173.997 175.328 -0.253 0.000 1.422 391 H CA -0.365 55.443 56.048 -0.401 0.000 1.335 391 H CB -0.055 29.682 29.762 -0.043 0.000 1.783 391 H HN 0.895 nan 8.280 nan 0.000 0.513 392 Y N -2.669 117.742 120.300 0.184 0.000 2.765 392 Y HA 0.378 4.928 4.550 0.000 0.000 0.350 392 Y C -3.328 172.681 175.900 0.181 0.000 1.196 392 Y CA -2.901 55.312 58.100 0.189 0.000 1.119 392 Y CB -0.063 38.513 38.460 0.194 0.000 1.368 392 Y HN -0.081 nan 8.280 nan 0.000 0.463 393 P HA 0.187 nan 4.420 nan 0.000 0.271 393 P C -0.689 176.921 177.300 0.517 0.000 1.216 393 P CA 0.130 63.500 63.100 0.450 0.000 0.776 393 P CB 0.649 32.541 31.700 0.320 0.000 0.881 394 N N 0.296 119.313 118.700 0.528 0.000 2.478 394 N HA 0.104 4.844 4.740 0.000 0.000 0.275 394 N C 0.046 175.817 175.510 0.434 0.000 1.221 394 N CA -0.609 52.659 53.050 0.362 0.000 0.979 394 N CB 0.415 38.884 38.487 -0.031 0.000 1.202 394 N HN 0.595 nan 8.380 nan 0.000 0.564 395 H N 1.965 121.152 119.070 0.195 0.000 3.034 395 H HA 0.007 4.563 4.556 0.000 0.000 0.324 395 H C -1.747 173.792 175.328 0.351 0.000 1.015 395 H CA -0.822 55.345 56.048 0.198 0.000 1.429 395 H CB 0.985 30.814 29.762 0.112 0.000 1.429 395 H HN 0.411 nan 8.280 nan 0.000 0.585 396 P HA -0.227 nan 4.420 nan 0.000 0.217 396 P C 1.846 179.488 177.300 0.569 0.000 1.151 396 P CA 0.845 64.187 63.100 0.404 0.000 0.849 396 P CB 0.166 31.897 31.700 0.052 0.000 0.787 397 L N -1.221 120.426 121.223 0.707 0.000 2.131 397 L HA -0.079 4.261 4.340 0.000 0.000 0.210 397 L C 2.316 179.426 176.870 0.400 0.000 1.092 397 L CA 1.475 56.620 54.840 0.509 0.000 0.759 397 L CB -1.418 40.929 42.059 0.480 0.000 0.903 397 L HN 0.060 nan 8.230 nan 0.000 0.435 398 W N -0.261 121.138 121.300 0.167 0.000 2.302 398 W HA -0.395 4.265 4.660 0.000 0.000 0.320 398 W C 2.209 178.636 176.519 -0.153 0.000 1.241 398 W CA 2.207 59.499 57.345 -0.089 0.000 1.264 398 W CB -0.490 28.785 29.460 -0.309 0.000 1.154 398 W HN 0.283 nan 8.180 nan 0.000 0.483 399 Y N 0.632 120.890 120.300 -0.071 0.000 2.207 399 Y HA -0.243 4.307 4.550 0.000 0.000 0.287 399 Y C 2.848 178.531 175.900 -0.361 0.000 1.156 399 Y CA 2.140 59.963 58.100 -0.462 0.000 1.182 399 Y CB -1.426 36.464 38.460 -0.950 0.000 0.979 399 Y HN -0.173 nan 8.280 nan 0.000 0.521 400 T N 0.579 115.172 114.554 0.064 0.000 2.777 400 T HA -0.134 4.216 4.350 0.000 0.000 0.266 400 T C 2.047 176.785 174.700 0.065 0.000 1.040 400 T CA 1.270 63.462 62.100 0.153 0.000 1.141 400 T CB -0.547 68.460 68.868 0.231 0.000 0.868 400 T HN 0.223 nan 8.240 nan 0.000 0.444 401 L N 0.507 121.745 121.223 0.024 0.000 2.012 401 L HA -0.160 4.180 4.340 0.000 0.000 0.210 401 L C 2.906 179.779 176.870 0.006 0.000 1.073 401 L CA 1.137 56.014 54.840 0.063 0.000 0.748 401 L CB -0.802 41.258 42.059 0.001 0.000 0.891 401 L HN 0.387 nan 8.230 nan 0.000 0.431 402 C N -0.360 118.769 119.300 -0.285 0.000 2.425 402 C HA -0.155 4.305 4.460 0.000 0.000 0.277 402 C C 2.426 177.436 174.990 0.033 0.000 1.280 402 C CA 0.392 59.259 59.018 -0.252 0.000 1.744 402 C CB -0.868 26.595 27.740 -0.461 0.000 1.989 402 C HN 0.543 nan 8.230 nan 0.000 0.491 403 D N 0.492 120.912 120.400 0.033 0.000 2.117 403 D HA -0.099 4.541 4.640 0.000 0.000 0.197 403 D C 2.409 178.874 176.300 0.275 0.000 0.987 403 D CA 1.159 55.242 54.000 0.138 0.000 0.829 403 D CB -0.339 40.512 40.800 0.084 0.000 0.961 403 D HN 0.575 nan 8.370 nan 0.000 0.460 404 R N -0.747 119.821 120.500 0.114 0.000 2.075 404 R HA -0.023 4.317 4.340 0.000 0.000 0.226 404 R C 2.268 178.497 176.300 -0.118 0.000 1.114 404 R CA 0.595 56.691 56.100 -0.008 0.000 0.972 404 R CB -0.368 29.845 30.300 -0.144 0.000 0.869 404 R HN 0.306 nan 8.270 nan 0.000 0.437 405 Y N 0.410 120.725 120.300 0.025 0.000 2.337 405 Y HA 0.093 4.643 4.550 0.000 0.000 0.293 405 Y C 1.078 176.908 175.900 -0.116 0.000 1.123 405 Y CA 0.919 59.002 58.100 -0.028 0.000 1.201 405 Y CB 0.471 38.883 38.460 -0.079 0.000 1.011 405 Y HN 0.309 nan 8.280 nan 0.000 0.545 406 G N 1.110 109.938 108.800 0.047 0.000 2.858 406 G HA2 -0.133 3.827 3.960 0.000 0.000 0.272 406 G HA3 -0.133 3.827 3.960 0.000 0.000 0.272 406 G C -1.172 173.559 174.900 -0.281 0.000 1.003 406 G CA -0.592 44.397 45.100 -0.185 0.000 1.241 406 G HN 0.147 nan 8.290 nan 0.000 0.569 407 L N 1.036 122.165 121.223 -0.157 0.000 2.464 407 L HA 0.464 4.804 4.340 0.000 0.000 0.266 407 L C 0.009 176.835 176.870 -0.073 0.000 0.965 407 L CA -1.265 53.433 54.840 -0.237 0.000 0.833 407 L CB 1.994 43.940 42.059 -0.188 0.000 1.296 407 L HN 0.457 nan 8.230 nan 0.000 0.405 408 Y N 2.081 122.477 120.300 0.159 0.000 2.411 408 Y HA 0.373 4.923 4.550 0.000 0.000 0.333 408 Y C 0.275 176.265 175.900 0.150 0.000 1.186 408 Y CA -0.586 57.636 58.100 0.202 0.000 1.381 408 Y CB 1.135 39.704 38.460 0.182 0.000 1.273 408 Y HN 0.155 nan 8.280 nan 0.000 0.546 409 V N 3.625 123.700 119.914 0.268 0.000 2.735 409 V HA 0.374 4.494 4.120 0.000 0.000 0.310 409 V C -0.712 175.440 176.094 0.096 0.000 1.061 409 V CA -1.052 61.343 62.300 0.158 0.000 0.913 409 V CB 2.024 33.896 31.823 0.082 0.000 1.005 409 V HN 0.455 nan 8.190 nan 0.000 0.428 410 V N 2.597 122.547 119.914 0.061 0.000 2.328 410 V HA 0.358 4.478 4.120 0.000 0.000 0.278 410 V C -0.388 175.733 176.094 0.044 0.000 1.021 410 V CA -0.409 61.889 62.300 -0.004 0.000 0.838 410 V CB 1.424 33.172 31.823 -0.126 0.000 0.999 410 V HN 0.878 nan 8.190 nan 0.000 0.447 411 D N 4.021 124.478 120.400 0.095 0.000 2.264 411 D HA 0.315 4.955 4.640 0.000 0.000 0.250 411 D C -0.215 176.256 176.300 0.286 0.000 1.113 411 D CA 0.038 54.189 54.000 0.253 0.000 0.871 411 D CB 1.293 42.290 40.800 0.329 0.000 1.167 411 D HN 0.710 nan 8.370 nan 0.000 0.447 412 E N 1.714 122.059 120.200 0.242 0.000 2.234 412 E HA 0.616 4.966 4.350 0.000 0.000 0.266 412 E C -1.129 175.609 176.600 0.231 0.000 0.877 412 E CA -1.074 55.457 56.400 0.218 0.000 0.758 412 E CB 1.417 31.197 29.700 0.132 0.000 1.170 412 E HN 0.451 nan 8.360 nan 0.000 0.415 413 A N 3.647 126.599 122.820 0.220 0.000 2.445 413 A HA 0.078 4.398 4.320 0.000 0.000 0.242 413 A C 0.337 178.048 177.584 0.211 0.000 1.075 413 A CA -0.274 51.875 52.037 0.188 0.000 0.777 413 A CB 0.173 19.251 19.000 0.130 0.000 1.013 413 A HN 0.685 nan 8.150 nan 0.000 0.493 414 N N 1.466 120.300 118.700 0.223 0.000 2.892 414 N HA 0.194 4.934 4.740 0.000 0.000 0.300 414 N C -0.921 174.717 175.510 0.215 0.000 1.211 414 N CA 0.277 53.489 53.050 0.270 0.000 1.158 414 N CB -0.900 37.754 38.487 0.278 0.000 1.455 414 N HN 0.469 nan 8.380 nan 0.000 0.524 415 I N 0.672 121.362 120.570 0.199 0.000 2.534 415 I HA 0.271 4.441 4.170 0.000 0.000 0.286 415 I C -0.620 175.591 176.117 0.156 0.000 1.094 415 I CA -0.688 60.710 61.300 0.163 0.000 1.055 415 I CB 1.971 40.042 38.000 0.119 0.000 1.225 415 I HN 0.215 nan 8.210 nan 0.000 0.435 416 E N 4.189 124.478 120.200 0.149 0.000 2.278 416 E HA 0.414 4.764 4.350 0.000 0.000 0.272 416 E C -0.527 176.145 176.600 0.120 0.000 0.890 416 E CA -0.439 56.024 56.400 0.105 0.000 0.770 416 E CB 1.865 31.602 29.700 0.062 0.000 1.212 416 E HN 0.671 nan 8.360 nan 0.000 0.415 417 T N 0.533 115.151 114.554 0.105 0.000 3.380 417 T HA 0.138 4.488 4.350 0.000 0.000 0.289 417 T C 0.972 175.736 174.700 0.106 0.000 1.012 417 T CA -0.285 61.903 62.100 0.147 0.000 0.944 417 T CB -0.329 68.595 68.868 0.093 0.000 1.172 417 T HN 0.679 nan 8.240 nan 0.000 0.502 418 H N 1.188 120.189 119.070 -0.116 0.000 2.362 418 H HA -0.133 4.423 4.556 0.000 0.000 0.294 418 H C 2.264 177.469 175.328 -0.205 0.000 1.113 418 H CA 1.440 57.385 56.048 -0.171 0.000 1.253 418 H CB -0.234 29.399 29.762 -0.215 0.000 1.363 418 H HN 0.575 nan 8.280 nan 0.000 0.494 419 G N 0.229 108.867 108.800 -0.270 0.000 2.650 419 G HA2 -0.041 3.919 3.960 0.000 0.000 0.214 419 G HA3 -0.041 3.919 3.960 0.000 0.000 0.214 419 G C 0.644 175.625 174.900 0.135 0.000 1.136 419 G CA -0.142 44.819 45.100 -0.232 0.000 0.789 419 G HN 0.148 nan 8.290 nan 0.000 0.536 420 M N 0.150 119.882 119.600 0.219 0.000 2.131 420 M HA 0.314 4.794 4.480 0.000 0.000 0.283 420 M C -0.314 176.020 176.300 0.058 0.000 1.225 420 M CA 0.143 55.536 55.300 0.154 0.000 1.153 420 M CB 1.083 33.729 32.600 0.077 0.000 1.380 420 M HN -0.161 nan 8.290 nan 0.000 0.458 421 V N 2.157 122.084 119.914 0.021 0.000 2.653 421 V HA 0.296 4.416 4.120 0.000 0.000 0.298 421 V C -2.113 173.973 176.094 -0.014 0.000 1.097 421 V CA -1.310 60.990 62.300 0.000 0.000 0.908 421 V CB 1.936 33.756 31.823 -0.004 0.000 1.024 421 V HN 0.748 nan 8.190 nan 0.000 0.435 422 P HA 0.214 nan 4.420 nan 0.000 0.273 422 P C 1.134 178.435 177.300 0.001 0.000 1.250 422 P CA -0.456 62.640 63.100 -0.007 0.000 0.793 422 P CB 0.857 32.555 31.700 -0.004 0.000 1.011 423 M N 0.886 120.493 119.600 0.012 0.000 2.255 423 M HA -0.233 4.247 4.480 0.000 0.000 0.259 423 M C 1.088 177.405 176.300 0.029 0.000 1.071 423 M CA 2.161 57.478 55.300 0.029 0.000 1.074 423 M CB -0.420 32.195 32.600 0.025 0.000 1.384 423 M HN 0.399 nan 8.290 nan 0.000 0.415 424 N N -0.262 118.452 118.700 0.023 0.000 2.251 424 N HA -0.040 4.700 4.740 0.000 0.000 0.217 424 N C 1.053 176.529 175.510 -0.057 0.000 1.124 424 N CA 0.073 53.130 53.050 0.013 0.000 0.843 424 N CB -0.592 37.925 38.487 0.050 0.000 1.024 424 N HN 0.349 nan 8.380 nan 0.000 0.501 425 R N 0.617 121.072 120.500 -0.074 0.000 2.134 425 R HA -0.090 4.250 4.340 0.000 0.000 0.248 425 R C 1.548 177.727 176.300 -0.201 0.000 1.143 425 R CA 1.890 57.921 56.100 -0.115 0.000 0.957 425 R CB -0.160 30.070 30.300 -0.117 0.000 0.867 425 R HN 0.327 nan 8.270 nan 0.000 0.441 426 L N -0.992 120.044 121.223 -0.311 0.000 2.168 426 L HA 0.004 4.344 4.340 0.000 0.000 0.203 426 L C 2.477 179.164 176.870 -0.305 0.000 1.078 426 L CA 1.284 55.810 54.840 -0.524 0.000 0.780 426 L CB -0.771 40.697 42.059 -0.985 0.000 0.939 426 L HN 0.366 nan 8.230 nan 0.000 0.451 427 T N -3.661 110.753 114.554 -0.235 0.000 2.897 427 T HA -0.209 4.141 4.350 0.000 0.000 0.271 427 T C 1.242 175.820 174.700 -0.204 0.000 1.084 427 T CA 1.440 63.382 62.100 -0.263 0.000 1.123 427 T CB -0.352 68.327 68.868 -0.315 0.000 0.865 427 T HN 0.133 nan 8.240 nan 0.000 0.496 428 D N 1.306 121.627 120.400 -0.131 0.000 2.342 428 D HA 0.138 4.778 4.640 0.000 0.000 0.221 428 D C -0.491 175.778 176.300 -0.051 0.000 1.101 428 D CA -0.224 53.720 54.000 -0.094 0.000 0.837 428 D CB -0.030 40.726 40.800 -0.073 0.000 0.938 428 D HN 0.342 nan 8.370 nan 0.000 0.508 429 D N -0.595 119.790 120.400 -0.026 0.000 2.481 429 D HA 0.187 4.827 4.640 0.000 0.000 0.246 429 D C -1.829 174.536 176.300 0.109 0.000 1.109 429 D CA -2.320 51.715 54.000 0.057 0.000 0.845 429 D CB 2.237 43.109 40.800 0.120 0.000 1.160 429 D HN -0.149 nan 8.370 nan 0.000 0.534 430 P HA -0.185 nan 4.420 nan 0.000 0.216 430 P C 1.105 178.414 177.300 0.016 0.000 1.154 430 P CA 1.248 64.360 63.100 0.021 0.000 0.865 430 P CB 0.171 31.871 31.700 0.001 0.000 0.789 431 R N -1.802 118.713 120.500 0.025 0.000 2.211 431 R HA -0.143 4.197 4.340 0.000 0.000 0.240 431 R C 1.770 177.926 176.300 -0.240 0.000 1.144 431 R CA 1.456 57.490 56.100 -0.110 0.000 0.992 431 R CB -0.830 29.377 30.300 -0.155 0.000 0.869 431 R HN 0.365 nan 8.270 nan 0.000 0.462 432 W N -0.043 121.198 121.300 -0.098 0.000 3.278 432 W HA 0.146 4.806 4.660 0.000 0.000 0.308 432 W C 1.585 178.043 176.519 -0.103 0.000 1.253 432 W CA -0.603 56.683 57.345 -0.099 0.000 1.759 432 W CB -0.033 29.363 29.460 -0.106 0.000 1.093 432 W HN -0.002 nan 8.180 nan 0.000 0.648 433 L N 2.381 123.650 121.223 0.078 0.000 2.042 433 L HA -0.078 4.262 4.340 0.000 0.000 0.210 433 L C -0.749 176.093 176.870 -0.047 0.000 1.076 433 L CA 2.308 57.147 54.840 -0.002 0.000 0.749 433 L CB -1.690 40.354 42.059 -0.025 0.000 0.893 433 L HN -0.230 nan 8.230 nan 0.000 0.432 434 P HA -0.105 nan 4.420 nan 0.000 0.215 434 P C 1.664 178.916 177.300 -0.080 0.000 1.157 434 P CA 2.075 65.120 63.100 -0.092 0.000 0.863 434 P CB -0.252 31.384 31.700 -0.105 0.000 0.787 435 A N -0.343 122.444 122.820 -0.055 0.000 1.873 435 A HA -0.241 4.079 4.320 0.000 0.000 0.218 435 A C 2.296 179.890 177.584 0.017 0.000 1.193 435 A CA 2.312 54.347 52.037 -0.002 0.000 0.629 435 A CB -1.641 17.405 19.000 0.078 0.000 0.826 435 A HN 0.075 nan 8.150 nan 0.000 0.447 436 M N -0.173 119.449 119.600 0.036 0.000 2.108 436 M HA -0.184 4.296 4.480 0.000 0.000 0.261 436 M C 2.601 178.851 176.300 -0.084 0.000 1.066 436 M CA 1.916 57.211 55.300 -0.009 0.000 1.107 436 M CB -0.564 32.011 32.600 -0.043 0.000 1.356 436 M HN 0.689 nan 8.290 nan 0.000 0.406 437 S N 0.533 116.158 115.700 -0.124 0.000 2.365 437 S HA -0.221 4.249 4.470 0.000 0.000 0.225 437 S C 1.696 176.139 174.600 -0.261 0.000 1.039 437 S CA 1.714 59.778 58.200 -0.227 0.000 1.033 437 S CB -0.416 62.642 63.200 -0.237 0.000 0.887 437 S HN 0.488 nan 8.310 nan 0.000 0.447 438 E N 0.649 120.744 120.200 -0.176 0.000 2.110 438 E HA -0.137 4.213 4.350 0.000 0.000 0.193 438 E C 2.454 178.975 176.600 -0.131 0.000 0.988 438 E CA 1.013 57.319 56.400 -0.157 0.000 0.804 438 E CB -0.224 29.418 29.700 -0.096 0.000 0.745 438 E HN 0.582 nan 8.360 nan 0.000 0.458 439 R N 0.172 120.623 120.500 -0.083 0.000 2.120 439 R HA -0.106 4.234 4.340 0.000 0.000 0.234 439 R C 2.348 178.608 176.300 -0.067 0.000 1.123 439 R CA 0.917 56.995 56.100 -0.036 0.000 0.975 439 R CB -0.015 30.297 30.300 0.022 0.000 0.866 439 R HN 0.019 nan 8.270 nan 0.000 0.446 440 V N -0.000 119.827 119.914 -0.145 0.000 2.426 440 V HA -0.174 3.946 4.120 0.000 0.000 0.242 440 V C 2.356 178.298 176.094 -0.255 0.000 1.036 440 V CA 2.009 64.210 62.300 -0.165 0.000 1.044 440 V CB -0.394 31.316 31.823 -0.188 0.000 0.688 440 V HN 0.513 nan 8.190 nan 0.000 0.462 441 T N -0.217 114.067 114.554 -0.451 0.000 2.665 441 T HA -0.309 4.041 4.350 0.000 0.000 0.268 441 T C 1.945 176.516 174.700 -0.215 0.000 1.035 441 T CA 1.771 63.544 62.100 -0.544 0.000 1.151 441 T CB -0.486 67.954 68.868 -0.714 0.000 0.862 441 T HN 0.403 nan 8.240 nan 0.000 0.438 442 R N 0.464 120.853 120.500 -0.184 0.000 2.081 442 R HA 0.074 4.414 4.340 0.000 0.000 0.235 442 R C 2.719 178.955 176.300 -0.106 0.000 1.131 442 R CA 1.638 57.663 56.100 -0.124 0.000 0.960 442 R CB -0.545 29.691 30.300 -0.108 0.000 0.856 442 R HN 0.488 nan 8.270 nan 0.000 0.436 443 M N 0.814 120.360 119.600 -0.090 0.000 2.080 443 M HA -0.183 4.297 4.480 0.000 0.000 0.260 443 M C 2.010 178.253 176.300 -0.094 0.000 1.068 443 M CA 1.749 57.022 55.300 -0.044 0.000 1.109 443 M CB -0.035 32.578 32.600 0.022 0.000 1.342 443 M HN -0.018 nan 8.290 nan 0.000 0.405 444 V N 0.741 120.505 119.914 -0.250 0.000 2.332 444 V HA -0.317 3.803 4.120 0.000 0.000 0.248 444 V C 2.319 178.303 176.094 -0.183 0.000 1.055 444 V CA 2.187 64.212 62.300 -0.459 0.000 1.038 444 V CB -0.965 30.570 31.823 -0.480 0.000 0.651 444 V HN 0.600 nan 8.190 nan 0.000 0.450 445 Q N -0.755 118.976 119.800 -0.116 0.000 2.135 445 Q HA -0.242 4.098 4.340 0.000 0.000 0.204 445 Q C 2.513 178.440 176.000 -0.122 0.000 0.981 445 Q CA 1.787 57.536 55.803 -0.089 0.000 0.856 445 Q CB -0.161 28.547 28.738 -0.050 0.000 0.902 445 Q HN 0.540 nan 8.270 nan 0.000 0.425 446 R N 0.101 120.521 120.500 -0.134 0.000 2.075 446 R HA -0.094 4.246 4.340 0.000 0.000 0.226 446 R C 0.585 176.805 176.300 -0.133 0.000 1.114 446 R CA 1.405 57.399 56.100 -0.177 0.000 0.972 446 R CB 0.366 30.560 30.300 -0.176 0.000 0.869 446 R HN 0.147 nan 8.270 nan 0.000 0.437 447 D N -0.184 120.203 120.400 -0.022 0.000 2.369 447 D HA -0.010 4.630 4.640 0.000 0.000 0.211 447 D C 1.407 177.808 176.300 0.167 0.000 1.077 447 D CA 0.178 54.214 54.000 0.060 0.000 0.842 447 D CB 0.295 41.104 40.800 0.014 0.000 0.947 447 D HN 0.325 nan 8.370 nan 0.000 0.509 448 R N 0.810 121.421 120.500 0.185 0.000 2.303 448 R HA -0.002 4.338 4.340 0.000 0.000 0.225 448 R C 0.995 177.284 176.300 -0.019 0.000 1.114 448 R CA 1.095 57.317 56.100 0.204 0.000 1.007 448 R CB -0.420 29.967 30.300 0.145 0.000 0.861 448 R HN -0.029 nan 8.270 nan 0.000 0.471 449 N N 0.284 118.888 118.700 -0.161 0.000 2.412 449 N HA -0.033 4.707 4.740 0.000 0.000 0.184 449 N C -0.407 174.956 175.510 -0.245 0.000 1.101 449 N CA 0.254 53.162 53.050 -0.235 0.000 0.881 449 N CB 0.060 38.357 38.487 -0.317 0.000 0.969 449 N HN 0.369 nan 8.380 nan 0.000 0.459 450 H N 1.577 120.561 119.070 -0.142 0.000 2.742 450 H HA 0.096 4.652 4.556 0.000 0.000 0.302 450 H C -1.201 173.962 175.328 -0.274 0.000 1.069 450 H CA -1.205 54.740 56.048 -0.172 0.000 1.446 450 H CB 1.540 31.237 29.762 -0.108 0.000 1.462 450 H HN 0.030 nan 8.280 nan 0.000 0.499 451 P HA -0.154 nan 4.420 nan 0.000 0.218 451 P C 1.385 178.266 177.300 -0.698 0.000 1.148 451 P CA 1.170 63.925 63.100 -0.574 0.000 0.822 451 P CB 0.212 31.318 31.700 -0.991 0.000 0.784 452 S N -1.311 114.050 115.700 -0.566 0.000 2.447 452 S HA -0.013 4.457 4.470 0.000 0.000 0.233 452 S C 1.053 175.616 174.600 -0.061 0.000 1.006 452 S CA 0.171 58.214 58.200 -0.262 0.000 0.957 452 S CB -1.312 61.853 63.200 -0.058 0.000 0.773 452 S HN -0.069 nan 8.310 nan 0.000 0.507 453 V N 3.478 123.316 119.914 -0.127 0.000 2.470 453 V HA 0.262 4.382 4.120 0.000 0.000 0.276 453 V C 0.986 176.930 176.094 -0.248 0.000 1.040 453 V CA -0.078 62.114 62.300 -0.181 0.000 1.008 453 V CB 0.614 32.235 31.823 -0.337 0.000 0.990 453 V HN 0.627 nan 8.190 nan 0.000 0.477 454 I N 2.664 123.130 120.570 -0.173 0.000 4.327 454 I HA 0.526 4.696 4.170 0.000 0.000 0.331 454 I C 0.241 176.232 176.117 -0.210 0.000 1.348 454 I CA 0.337 61.543 61.300 -0.157 0.000 1.152 454 I CB 0.495 38.481 38.000 -0.023 0.000 1.151 454 I HN 0.311 nan 8.210 nan 0.000 0.410 455 I N 0.247 120.665 120.570 -0.254 0.000 2.752 455 I HA 0.369 4.539 4.170 0.000 0.000 0.295 455 I C -1.626 174.372 176.117 -0.199 0.000 1.219 455 I CA -0.434 60.760 61.300 -0.177 0.000 1.030 455 I CB 2.165 40.160 38.000 -0.009 0.000 1.259 455 I HN 0.014 nan 8.210 nan 0.000 0.423 456 W N 3.553 124.898 121.300 0.075 0.000 2.496 456 W HA 0.637 5.297 4.660 0.000 0.000 0.327 456 W C 0.312 176.893 176.519 0.105 0.000 1.086 456 W CA -0.704 56.692 57.345 0.085 0.000 1.222 456 W CB 1.725 31.229 29.460 0.074 0.000 1.304 456 W HN 0.310 nan 8.180 nan 0.000 0.547 457 S N 2.898 118.828 115.700 0.383 0.000 2.532 457 S HA 0.390 4.860 4.470 0.000 0.000 0.299 457 S C 0.250 175.020 174.600 0.283 0.000 1.105 457 S CA -0.710 57.665 58.200 0.291 0.000 1.018 457 S CB 0.815 64.140 63.200 0.208 0.000 1.021 457 S HN 0.595 nan 8.310 nan 0.000 0.483 458 L N 4.098 125.486 121.223 0.275 0.000 2.610 458 L HA 0.317 4.657 4.340 0.000 0.000 0.232 458 L C 1.425 178.389 176.870 0.158 0.000 1.149 458 L CA 0.577 55.516 54.840 0.164 0.000 0.872 458 L CB -1.219 40.844 42.059 0.006 0.000 0.992 458 L HN 0.999 nan 8.230 nan 0.000 0.447 459 G N -0.003 108.962 108.800 0.274 0.000 2.250 459 G HA2 -0.100 3.860 3.960 0.000 0.000 0.252 459 G HA3 -0.100 3.860 3.960 0.000 0.000 0.252 459 G C -1.660 173.432 174.900 0.320 0.000 1.325 459 G CA -0.528 44.729 45.100 0.261 0.000 1.091 459 G HN 0.183 nan 8.290 nan 0.000 0.476 460 N N 0.184 119.024 118.700 0.234 0.000 2.504 460 N HA 0.438 5.178 4.740 0.000 0.000 0.268 460 N C -0.530 174.944 175.510 -0.060 0.000 1.184 460 N CA 0.149 53.195 53.050 -0.007 0.000 0.875 460 N CB 1.397 39.619 38.487 -0.441 0.000 1.630 460 N HN 0.948 nan 8.380 nan 0.000 0.486 461 E N 0.718 120.789 120.200 -0.216 0.000 2.131 461 E HA -0.198 4.152 4.350 0.000 0.000 0.166 461 E C -0.840 175.691 176.600 -0.115 0.000 1.514 461 E CA 0.791 56.993 56.400 -0.330 0.000 0.646 461 E CB -1.564 27.643 29.700 -0.821 0.000 1.051 461 E HN 0.417 nan 8.360 nan 0.000 0.315 462 S N 0.055 115.831 115.700 0.128 0.000 2.941 462 S HA 0.415 4.885 4.470 0.000 0.000 0.251 462 S C 0.762 175.535 174.600 0.287 0.000 1.029 462 S CA -0.177 58.148 58.200 0.208 0.000 1.062 462 S CB 1.405 64.776 63.200 0.285 0.000 0.977 462 S HN 0.903 nan 8.310 nan 0.000 0.552 463 G N 2.060 110.974 108.800 0.190 0.000 2.575 463 G HA2 -0.265 3.695 3.960 0.000 0.000 0.267 463 G HA3 -0.265 3.695 3.960 0.000 0.000 0.267 463 G C -0.500 174.620 174.900 0.366 0.000 1.264 463 G CA 0.021 45.234 45.100 0.190 0.000 0.935 463 G HN 0.648 nan 8.290 nan 0.000 0.568 464 H N 0.499 119.698 119.070 0.215 0.000 2.840 464 H HA 0.581 5.137 4.556 0.000 0.000 0.340 464 H C 0.157 175.663 175.328 0.298 0.000 1.004 464 H CA 0.089 56.291 56.048 0.257 0.000 1.288 464 H CB 0.934 30.775 29.762 0.132 0.000 1.607 464 H HN 1.219 nan 8.280 nan 0.000 0.522 465 G N 1.400 110.203 108.800 0.006 0.000 2.680 465 G HA2 0.458 4.418 3.960 0.000 0.000 0.290 465 G HA3 0.458 4.418 3.960 0.000 0.000 0.290 465 G C 0.502 175.232 174.900 -0.283 0.000 1.355 465 G CA -0.162 44.795 45.100 -0.237 0.000 0.903 465 G HN 0.657 nan 8.290 nan 0.000 0.474 466 A N 0.369 123.071 122.820 -0.197 0.000 2.032 466 A HA -0.120 4.200 4.320 0.000 0.000 0.221 466 A C 2.117 179.664 177.584 -0.061 0.000 1.165 466 A CA 2.047 54.026 52.037 -0.097 0.000 0.645 466 A CB -0.461 18.508 19.000 -0.052 0.000 0.807 466 A HN 0.549 nan 8.150 nan 0.000 0.453 467 N N -0.295 118.325 118.700 -0.133 0.000 2.205 467 N HA -0.156 4.584 4.740 0.000 0.000 0.186 467 N C 1.372 176.819 175.510 -0.106 0.000 1.015 467 N CA 1.728 54.694 53.050 -0.141 0.000 0.862 467 N CB -0.704 37.668 38.487 -0.192 0.000 0.986 467 N HN 0.802 nan 8.380 nan 0.000 0.429 468 H N 0.484 119.508 119.070 -0.076 0.000 2.321 468 H HA -0.038 4.518 4.556 0.000 0.000 0.300 468 H C 1.275 176.654 175.328 0.086 0.000 1.087 468 H CA 1.328 57.347 56.048 -0.048 0.000 1.319 468 H CB 0.130 29.855 29.762 -0.061 0.000 1.379 468 H HN 0.164 nan 8.280 nan 0.000 0.501 469 D N 0.495 121.041 120.400 0.242 0.000 2.104 469 D HA -0.158 4.482 4.640 0.000 0.000 0.194 469 D C 2.301 178.750 176.300 0.248 0.000 0.994 469 D CA 1.244 55.386 54.000 0.236 0.000 0.830 469 D CB -0.561 40.348 40.800 0.181 0.000 0.959 469 D HN 0.431 nan 8.370 nan 0.000 0.452 470 A N 0.702 123.618 122.820 0.160 0.000 1.908 470 A HA -0.137 4.183 4.320 0.000 0.000 0.218 470 A C 2.408 180.102 177.584 0.184 0.000 1.181 470 A CA 1.020 53.144 52.037 0.145 0.000 0.627 470 A CB -0.742 18.301 19.000 0.072 0.000 0.818 470 A HN 0.217 nan 8.150 nan 0.000 0.445 471 L N -2.315 119.005 121.223 0.162 0.000 2.109 471 L HA -0.132 4.208 4.340 0.000 0.000 0.207 471 L C 2.561 179.581 176.870 0.248 0.000 1.086 471 L CA 1.479 56.415 54.840 0.161 0.000 0.760 471 L CB -0.683 41.405 42.059 0.048 0.000 0.910 471 L HN 0.599 nan 8.230 nan 0.000 0.437 472 Y N 0.909 121.295 120.300 0.143 0.000 2.081 472 Y HA -0.309 4.241 4.550 0.000 0.000 0.280 472 Y C 2.899 178.881 175.900 0.137 0.000 1.163 472 Y CA 1.599 59.784 58.100 0.142 0.000 1.135 472 Y CB -0.206 38.337 38.460 0.139 0.000 0.970 472 Y HN -0.058 nan 8.280 nan 0.000 0.498 473 R N 0.054 120.681 120.500 0.213 0.000 2.083 473 R HA -0.253 4.087 4.340 0.000 0.000 0.237 473 R C 2.116 178.419 176.300 0.005 0.000 1.137 473 R CA 2.050 58.202 56.100 0.086 0.000 0.951 473 R CB -1.736 28.685 30.300 0.202 0.000 0.851 473 R HN 0.681 nan 8.270 nan 0.000 0.434 474 W N 1.243 122.504 121.300 -0.065 0.000 2.318 474 W HA -0.197 4.463 4.660 0.000 0.000 0.313 474 W C 1.964 178.392 176.519 -0.152 0.000 1.221 474 W CA 1.953 59.244 57.345 -0.090 0.000 1.266 474 W CB -0.443 28.969 29.460 -0.081 0.000 1.150 474 W HN 0.035 nan 8.180 nan 0.000 0.496 475 I N 0.651 121.207 120.570 -0.024 0.000 2.226 475 I HA -0.336 3.834 4.170 0.000 0.000 0.245 475 I C 2.405 178.288 176.117 -0.390 0.000 1.100 475 I CA 1.339 62.453 61.300 -0.311 0.000 1.374 475 I CB -0.912 36.987 38.000 -0.169 0.000 1.057 475 I HN -0.092 nan 8.210 nan 0.000 0.413 476 K N 1.103 121.302 120.400 -0.335 0.000 2.113 476 K HA -0.140 4.180 4.320 0.000 0.000 0.208 476 K C 2.221 178.670 176.600 -0.251 0.000 1.047 476 K CA 1.663 57.779 56.287 -0.285 0.000 0.928 476 K CB -0.590 31.729 32.500 -0.301 0.000 0.716 476 K HN 0.354 nan 8.250 nan 0.000 0.446 477 S N 0.402 115.912 115.700 -0.316 0.000 2.395 477 S HA -0.037 4.433 4.470 0.000 0.000 0.225 477 S C 2.230 176.605 174.600 -0.375 0.000 1.027 477 S CA 0.797 58.818 58.200 -0.298 0.000 0.965 477 S CB -0.170 62.867 63.200 -0.272 0.000 0.812 477 S HN -0.013 nan 8.310 nan 0.000 0.482 478 V N 1.378 120.929 119.914 -0.607 0.000 2.488 478 V HA 0.057 4.177 4.120 0.000 0.000 0.246 478 V C 0.380 176.237 176.094 -0.394 0.000 1.046 478 V CA 1.251 63.181 62.300 -0.616 0.000 1.053 478 V CB -0.257 30.877 31.823 -1.148 0.000 0.679 478 V HN 0.394 nan 8.190 nan 0.000 0.458 479 D N -0.880 119.325 120.400 -0.326 0.000 2.336 479 D HA 0.264 4.904 4.640 0.000 0.000 0.248 479 D C -2.238 174.044 176.300 -0.031 0.000 1.326 479 D CA -1.656 52.270 54.000 -0.124 0.000 0.973 479 D CB 1.901 42.708 40.800 0.013 0.000 1.255 479 D HN 0.071 nan 8.370 nan 0.000 0.558 480 P HA 0.003 nan 4.420 nan 0.000 0.240 480 P C 1.201 178.518 177.300 0.028 0.000 1.190 480 P CA 0.287 63.376 63.100 -0.019 0.000 0.781 480 P CB 0.287 31.967 31.700 -0.034 0.000 0.931 481 S N -0.608 115.120 115.700 0.047 0.000 2.481 481 S HA -0.003 4.467 4.470 0.000 0.000 0.231 481 S C 0.891 175.520 174.600 0.049 0.000 0.996 481 S CA 0.100 58.332 58.200 0.053 0.000 0.942 481 S CB -0.434 62.792 63.200 0.043 0.000 0.768 481 S HN 0.088 nan 8.310 nan 0.000 0.520 482 R N 0.825 121.374 120.500 0.082 0.000 2.725 482 R HA 0.599 4.939 4.340 0.000 0.000 0.277 482 R C -3.209 173.156 176.300 0.109 0.000 0.987 482 R CA -2.322 53.799 56.100 0.035 0.000 0.901 482 R CB 1.439 31.651 30.300 -0.145 0.000 1.207 482 R HN 0.142 nan 8.270 nan 0.000 0.463 483 P HA 0.219 nan 4.420 nan 0.000 0.276 483 P C -0.821 176.581 177.300 0.170 0.000 1.244 483 P CA -0.525 62.638 63.100 0.105 0.000 0.801 483 P CB 0.866 32.611 31.700 0.075 0.000 1.006 484 V N 2.137 122.175 119.914 0.207 0.000 2.555 484 V HA 0.451 4.571 4.120 0.000 0.000 0.302 484 V C 0.169 176.441 176.094 0.297 0.000 1.038 484 V CA -0.388 62.081 62.300 0.282 0.000 0.887 484 V CB 1.375 33.349 31.823 0.253 0.000 0.991 484 V HN 0.652 nan 8.190 nan 0.000 0.434 485 Q N 3.433 123.394 119.800 0.268 0.000 2.451 485 Q HA 0.820 5.160 4.340 0.000 0.000 0.281 485 Q C -1.798 174.364 176.000 0.271 0.000 1.099 485 Q CA -0.981 54.951 55.803 0.215 0.000 0.806 485 Q CB 2.955 31.765 28.738 0.121 0.000 1.419 485 Q HN 0.651 nan 8.270 nan 0.000 0.427 486 Y N 0.129 120.448 120.300 0.031 0.000 2.357 486 Y HA 0.145 4.695 4.550 0.000 0.000 0.319 486 Y C -0.444 175.408 175.900 -0.080 0.000 1.225 486 Y CA -0.633 57.455 58.100 -0.021 0.000 1.095 486 Y CB 2.015 40.457 38.460 -0.030 0.000 1.302 486 Y HN 0.958 nan 8.280 nan 0.000 0.429 487 E N 3.554 123.281 120.200 -0.788 0.000 2.250 487 E HA 0.113 4.463 4.350 0.000 0.000 0.192 487 E C 0.749 176.918 176.600 -0.718 0.000 0.986 487 E CA 0.799 56.838 56.400 -0.602 0.000 0.849 487 E CB 0.188 29.650 29.700 -0.397 0.000 0.797 487 E HN 0.899 nan 8.360 nan 0.000 0.482 488 G N 0.001 107.973 108.800 -1.380 0.000 2.464 488 G HA2 0.174 4.134 3.960 0.000 0.000 0.231 488 G HA3 0.174 4.134 3.960 0.000 0.000 0.231 488 G C 0.789 175.552 174.900 -0.229 0.000 1.267 488 G CA 0.371 45.060 45.100 -0.684 0.000 0.863 488 G HN 0.383 nan 8.290 nan 0.000 0.559 489 G N -0.361 108.403 108.800 -0.060 0.000 2.221 489 G HA2 0.233 4.193 3.960 0.000 0.000 0.265 489 G HA3 0.233 4.193 3.960 0.000 0.000 0.265 489 G C 1.290 176.188 174.900 -0.004 0.000 1.041 489 G CA 1.002 46.122 45.100 0.033 0.000 0.807 489 G HN 2.635 nan 8.290 nan 0.000 0.502 490 G N -1.665 107.130 108.800 -0.010 0.000 2.229 490 G HA2 0.410 4.370 3.960 0.000 0.000 0.189 490 G HA3 0.410 4.370 3.960 0.000 0.000 0.189 490 G C 1.103 176.102 174.900 0.164 0.000 1.000 490 G CA 1.307 46.456 45.100 0.082 0.000 0.663 490 G HN 2.356 nan 8.290 nan 0.000 0.493 491 A N -0.220 122.593 122.820 -0.013 0.000 3.413 491 A HA -0.107 4.213 4.320 0.000 0.000 0.268 491 A C 1.103 178.648 177.584 -0.066 0.000 1.128 491 A CA 2.657 54.640 52.037 -0.091 0.000 1.062 491 A CB -1.804 17.107 19.000 -0.149 0.000 1.121 491 A HN 2.108 nan 8.150 nan 0.000 0.895 492 D N -1.162 119.266 120.400 0.046 0.000 2.636 492 D HA 0.294 4.934 4.640 0.000 0.000 0.270 492 D C 0.460 176.755 176.300 -0.008 0.000 1.430 492 D CA 0.825 54.862 54.000 0.062 0.000 0.796 492 D CB -1.158 39.820 40.800 0.298 0.000 1.117 492 D HN 0.839 nan 8.370 nan 0.000 0.480 493 T N -2.661 111.822 114.554 -0.118 0.000 2.698 493 T HA 0.129 4.479 4.350 0.000 0.000 0.295 493 T C 1.624 176.197 174.700 -0.212 0.000 1.007 493 T CA 0.564 62.523 62.100 -0.236 0.000 0.980 493 T CB 1.091 69.607 68.868 -0.586 0.000 1.036 493 T HN 0.056 nan 8.240 nan 0.000 0.526 494 T N -1.574 112.840 114.554 -0.233 0.000 3.007 494 T HA 0.039 4.389 4.350 0.000 0.000 0.270 494 T C 1.713 176.148 174.700 -0.442 0.000 1.107 494 T CA 0.879 62.850 62.100 -0.215 0.000 1.118 494 T CB -0.893 67.919 68.868 -0.093 0.000 0.889 494 T HN 0.845 nan 8.240 nan 0.000 0.506 495 A N 0.111 122.703 122.820 -0.381 0.000 2.337 495 A HA 0.452 4.772 4.320 0.000 0.000 0.227 495 A C 1.008 178.404 177.584 -0.315 0.000 1.259 495 A CA 0.114 51.871 52.037 -0.467 0.000 0.870 495 A CB -0.221 18.775 19.000 -0.006 0.000 0.927 495 A HN 0.504 nan 8.150 nan 0.000 0.497 496 T N -1.690 112.720 114.554 -0.241 0.000 2.912 496 T HA 0.390 4.740 4.350 0.000 0.000 0.299 496 T C -0.546 174.184 174.700 0.049 0.000 1.052 496 T CA -0.468 61.638 62.100 0.011 0.000 0.996 496 T CB 1.350 70.225 68.868 0.011 0.000 1.070 496 T HN 0.071 nan 8.240 nan 0.000 0.465 497 D N 2.538 123.046 120.400 0.179 0.000 2.348 497 D HA 0.306 4.946 4.640 0.000 0.000 0.211 497 D C 0.277 176.614 176.300 0.062 0.000 0.998 497 D CA 0.671 54.761 54.000 0.150 0.000 0.873 497 D CB 0.397 41.313 40.800 0.193 0.000 0.925 497 D HN 0.525 nan 8.370 nan 0.000 0.524 498 I N 0.603 121.190 120.570 0.029 0.000 2.686 498 I HA 0.262 4.432 4.170 0.000 0.000 0.295 498 I C -0.381 175.681 176.117 -0.091 0.000 1.114 498 I CA -0.947 60.336 61.300 -0.029 0.000 1.038 498 I CB 2.976 40.967 38.000 -0.016 0.000 1.238 498 I HN -0.358 nan 8.210 nan 0.000 0.420 499 I N 5.158 125.630 120.570 -0.164 0.000 2.436 499 I HA 0.097 4.267 4.170 0.000 0.000 0.289 499 I C -0.000 175.925 176.117 -0.319 0.000 1.083 499 I CA -0.055 61.064 61.300 -0.303 0.000 1.372 499 I CB 0.165 37.889 38.000 -0.459 0.000 1.408 499 I HN 0.634 nan 8.210 nan 0.000 0.516 500 C N 5.491 124.618 119.300 -0.288 0.000 3.414 500 C HA 0.486 4.946 4.460 0.000 0.000 0.208 500 C C -2.224 172.627 174.990 -0.231 0.000 1.422 500 C CA -2.273 56.616 59.018 -0.216 0.000 1.437 500 C CB -0.926 26.745 27.740 -0.115 0.000 1.850 500 C HN 0.399 nan 8.230 nan 0.000 0.481 501 P HA 0.372 nan 4.420 nan 0.000 0.274 501 P C -0.464 176.762 177.300 -0.124 0.000 1.256 501 P CA 0.073 63.050 63.100 -0.206 0.000 0.795 501 P CB 0.726 32.281 31.700 -0.242 0.000 1.038 502 M N -0.161 119.394 119.600 -0.075 0.000 2.181 502 M HA 0.462 4.942 4.480 0.000 0.000 0.323 502 M C -0.943 175.332 176.300 -0.042 0.000 1.004 502 M CA -0.598 54.576 55.300 -0.210 0.000 0.941 502 M CB 1.275 33.726 32.600 -0.249 0.000 1.579 502 M HN 0.348 nan 8.290 nan 0.000 0.427 503 Y N -0.114 120.326 120.300 0.232 0.000 4.490 503 Y HA -0.214 4.336 4.550 0.000 0.000 0.233 503 Y C 0.478 176.525 175.900 0.245 0.000 1.101 503 Y CA 0.428 58.669 58.100 0.235 0.000 2.010 503 Y CB -2.256 36.312 38.460 0.181 0.000 1.622 503 Y HN 0.988 nan 8.280 nan 0.000 0.675 504 A N 1.271 124.289 122.820 0.330 0.000 2.425 504 A HA 0.580 4.900 4.320 0.000 0.000 0.249 504 A C 0.706 178.485 177.584 0.324 0.000 1.084 504 A CA -0.476 51.757 52.037 0.326 0.000 0.781 504 A CB 0.394 19.613 19.000 0.364 0.000 1.019 504 A HN 0.397 nan 8.150 nan 0.000 0.490 505 R N 1.567 122.194 120.500 0.212 0.000 2.577 505 R HA 0.300 4.640 4.340 0.000 0.000 0.269 505 R C 0.981 177.252 176.300 -0.048 0.000 1.084 505 R CA -0.732 55.429 56.100 0.101 0.000 1.163 505 R CB 0.578 30.913 30.300 0.058 0.000 1.100 505 R HN 0.480 nan 8.270 nan 0.000 0.547 506 V N 0.861 120.595 119.914 -0.299 0.000 2.261 506 V HA -0.228 3.892 4.120 0.000 0.000 0.246 506 V C 1.027 177.001 176.094 -0.201 0.000 1.047 506 V CA 1.934 64.004 62.300 -0.384 0.000 1.015 506 V CB -0.244 31.238 31.823 -0.568 0.000 0.642 506 V HN 0.780 nan 8.190 nan 0.000 0.446 507 D N -0.969 119.346 120.400 -0.141 0.000 2.474 507 D HA 0.107 4.747 4.640 0.000 0.000 0.213 507 D C 0.624 176.905 176.300 -0.032 0.000 1.120 507 D CA 0.070 54.022 54.000 -0.080 0.000 0.836 507 D CB 0.595 41.353 40.800 -0.071 0.000 1.019 507 D HN 0.690 nan 8.370 nan 0.000 0.507 508 E N 1.184 121.373 120.200 -0.019 0.000 2.191 508 E HA 0.368 4.718 4.350 0.000 0.000 0.274 508 E C -0.857 175.749 176.600 0.009 0.000 0.948 508 E CA -0.773 55.624 56.400 -0.005 0.000 0.802 508 E CB 1.618 31.312 29.700 -0.010 0.000 1.137 508 E HN -0.295 nan 8.360 nan 0.000 0.397 509 D N 2.345 122.746 120.400 0.003 0.000 2.225 509 D HA 0.149 4.789 4.640 0.000 0.000 0.249 509 D C -0.608 175.590 176.300 -0.171 0.000 1.052 509 D CA -0.218 53.773 54.000 -0.014 0.000 0.909 509 D CB 1.357 42.215 40.800 0.097 0.000 1.186 509 D HN 0.407 nan 8.370 nan 0.000 0.431 510 Q N 1.578 121.163 119.800 -0.358 0.000 2.558 510 Q HA 0.267 4.607 4.340 0.000 0.000 0.252 510 Q C -2.286 173.039 176.000 -1.125 0.000 1.015 510 Q CA -1.595 53.787 55.803 -0.701 0.000 0.720 510 Q CB 2.451 30.814 28.738 -0.625 0.000 1.215 510 Q HN 0.134 nan 8.270 nan 0.000 0.500 511 P HA 0.067 nan 4.420 nan 0.000 0.214 511 P C -0.782 176.169 177.300 -0.580 0.000 1.826 511 P CA -0.153 62.509 63.100 -0.729 0.000 0.977 511 P CB -0.544 30.933 31.700 -0.372 0.000 1.930 512 F N 2.296 122.098 119.950 -0.247 0.000 2.459 512 F HA 0.241 4.768 4.527 0.000 0.000 0.346 512 F C -1.188 174.507 175.800 -0.176 0.000 1.128 512 F CA -2.605 55.295 58.000 -0.168 0.000 1.268 512 F CB -0.448 38.470 39.000 -0.136 0.000 1.161 512 F HN 0.045 nan 8.300 nan 0.000 0.583 513 P HA 0.063 nan 4.420 nan 0.000 0.268 513 P C 0.338 177.656 177.300 0.029 0.000 1.204 513 P CA 0.913 64.032 63.100 0.031 0.000 0.768 513 P CB 1.153 32.872 31.700 0.032 0.000 0.842 514 A N 3.019 125.842 122.820 0.005 0.000 3.292 514 A HA -0.247 4.073 4.320 0.000 0.000 0.241 514 A C 0.687 178.271 177.584 -0.000 0.000 0.569 514 A CA 2.061 54.104 52.037 0.010 0.000 1.149 514 A CB -2.638 16.372 19.000 0.016 0.000 1.321 514 A HN 0.736 nan 8.150 nan 0.000 0.679 515 V N -3.720 116.194 119.914 0.001 0.000 2.703 515 V HA 0.543 4.663 4.120 0.000 0.000 0.290 515 V C -2.640 173.456 176.094 0.004 0.000 1.035 515 V CA -1.103 61.196 62.300 -0.002 0.000 1.185 515 V CB 0.824 32.661 31.823 0.022 0.000 1.178 515 V HN 0.445 nan 8.190 nan 0.000 0.562 516 P HA 0.342 nan 4.420 nan 0.000 0.272 516 P C -0.712 176.117 177.300 -0.785 0.000 1.230 516 P CA 0.091 62.809 63.100 -0.636 0.000 0.788 516 P CB 0.990 31.919 31.700 -1.286 0.000 0.949 517 K N 1.917 121.875 120.400 -0.736 0.000 2.464 517 K HA 0.235 4.555 4.320 0.000 0.000 0.252 517 K C -0.517 175.789 176.600 -0.489 0.000 1.000 517 K CA -0.263 55.785 56.287 -0.399 0.000 0.951 517 K CB 0.698 33.254 32.500 0.093 0.000 1.183 517 K HN 0.488 nan 8.250 nan 0.000 0.445 518 W N 1.584 122.623 121.300 -0.435 0.000 2.126 518 W HA 0.046 4.706 4.660 0.000 0.000 0.346 518 W C 1.346 177.892 176.519 0.045 0.000 1.279 518 W CA -0.673 56.505 57.345 -0.278 0.000 1.259 518 W CB 0.533 29.669 29.460 -0.540 0.000 1.133 518 W HN 0.441 nan 8.180 nan 0.000 0.592 519 S N 3.202 119.071 115.700 0.281 0.000 2.558 519 S HA -0.077 4.393 4.470 0.000 0.000 0.288 519 S C 1.081 175.831 174.600 0.249 0.000 1.318 519 S CA -0.208 58.095 58.200 0.172 0.000 1.056 519 S CB 0.286 63.519 63.200 0.055 0.000 0.853 519 S HN 0.555 nan 8.310 nan 0.000 0.505 520 I N 1.102 121.774 120.570 0.171 0.000 2.454 520 I HA -0.160 4.010 4.170 0.000 0.000 0.254 520 I C 1.856 177.989 176.117 0.027 0.000 1.156 520 I CA 1.110 62.510 61.300 0.166 0.000 1.433 520 I CB -0.574 37.457 38.000 0.051 0.000 1.082 520 I HN 0.664 nan 8.210 nan 0.000 0.432 521 K N 2.136 122.457 120.400 -0.132 0.000 2.097 521 K HA -0.173 4.147 4.320 0.000 0.000 0.205 521 K C 2.152 178.729 176.600 -0.039 0.000 1.050 521 K CA 1.608 57.740 56.287 -0.258 0.000 0.938 521 K CB -0.339 31.896 32.500 -0.442 0.000 0.718 521 K HN 0.440 nan 8.250 nan 0.000 0.442 522 K N 0.698 121.103 120.400 0.007 0.000 2.103 522 K HA -0.150 4.170 4.320 0.000 0.000 0.204 522 K C 1.924 178.525 176.600 0.001 0.000 1.052 522 K CA 0.680 56.953 56.287 -0.023 0.000 0.945 522 K CB -0.091 32.365 32.500 -0.073 0.000 0.722 522 K HN 0.195 nan 8.250 nan 0.000 0.443 523 W N 2.039 123.298 121.300 -0.068 0.000 2.321 523 W HA -0.207 4.453 4.660 0.000 0.000 0.306 523 W C 1.550 178.029 176.519 -0.068 0.000 1.217 523 W CA 1.293 58.608 57.345 -0.051 0.000 1.257 523 W CB -0.575 28.955 29.460 0.117 0.000 1.145 523 W HN 0.120 nan 8.180 nan 0.000 0.509 524 L N 0.853 122.218 121.223 0.237 0.000 2.127 524 L HA -0.254 4.086 4.340 0.000 0.000 0.211 524 L C 2.564 179.486 176.870 0.087 0.000 1.089 524 L CA 1.911 56.831 54.840 0.133 0.000 0.757 524 L CB -0.990 41.126 42.059 0.095 0.000 0.899 524 L HN -0.004 nan 8.230 nan 0.000 0.434 525 S N -0.956 114.772 115.700 0.047 0.000 2.558 525 S HA 0.109 4.579 4.470 0.000 0.000 0.217 525 S C 0.824 175.396 174.600 -0.048 0.000 0.975 525 S CA -0.407 57.793 58.200 0.001 0.000 0.912 525 S CB -0.463 62.733 63.200 -0.008 0.000 0.776 525 S HN 0.205 nan 8.310 nan 0.000 0.526 526 L N 2.520 123.698 121.223 -0.076 0.000 2.543 526 L HA 0.195 4.535 4.340 0.000 0.000 0.285 526 L C -2.227 174.606 176.870 -0.062 0.000 1.236 526 L CA -1.544 53.215 54.840 -0.134 0.000 0.871 526 L CB -0.417 41.526 42.059 -0.192 0.000 1.121 526 L HN 0.065 nan 8.230 nan 0.000 0.501 527 P HA -0.010 nan 4.420 nan 0.000 0.260 527 P C 0.841 178.129 177.300 -0.019 0.000 1.185 527 P CA 0.930 64.003 63.100 -0.044 0.000 0.763 527 P CB 0.627 32.296 31.700 -0.051 0.000 0.776 528 G N 2.068 110.865 108.800 -0.006 0.000 2.225 528 G HA2 -0.266 3.694 3.960 0.000 0.000 0.254 528 G HA3 -0.266 3.694 3.960 0.000 0.000 0.254 528 G C 0.242 175.155 174.900 0.022 0.000 0.988 528 G CA 0.074 45.179 45.100 0.008 0.000 0.625 528 G HN 0.626 nan 8.290 nan 0.000 0.527 529 E N 1.242 121.460 120.200 0.030 0.000 2.344 529 E HA 0.556 4.906 4.350 0.000 0.000 0.270 529 E C 1.420 178.043 176.600 0.038 0.000 1.021 529 E CA 0.833 57.265 56.400 0.053 0.000 0.887 529 E CB 0.769 30.529 29.700 0.101 0.000 0.997 529 E HN 0.577 nan 8.360 nan 0.000 0.429 530 T N 0.748 115.322 114.554 0.033 0.000 3.009 530 T HA 0.312 4.662 4.350 0.000 0.000 0.267 530 T C 0.625 175.333 174.700 0.014 0.000 0.942 530 T CA -0.429 61.684 62.100 0.022 0.000 0.883 530 T CB 0.091 68.972 68.868 0.020 0.000 1.192 530 T HN 0.265 nan 8.240 nan 0.000 0.524 531 R N 2.270 122.776 120.500 0.009 0.000 2.707 531 R HA 0.436 4.776 4.340 0.000 0.000 0.270 531 R C -2.522 173.759 176.300 -0.031 0.000 1.083 531 R CA -1.591 54.504 56.100 -0.009 0.000 1.182 531 R CB -0.000 30.289 30.300 -0.018 0.000 1.084 531 R HN 0.254 nan 8.270 nan 0.000 0.528 532 P HA 0.167 nan 4.420 nan 0.000 0.278 532 P C -1.151 176.080 177.300 -0.115 0.000 1.258 532 P CA -0.278 62.780 63.100 -0.069 0.000 0.811 532 P CB 0.735 32.395 31.700 -0.068 0.000 1.063 533 L N 1.968 123.103 121.223 -0.148 0.000 2.381 533 L HA 0.611 4.951 4.340 0.000 0.000 0.274 533 L C -1.236 175.495 176.870 -0.231 0.000 0.988 533 L CA -0.685 54.029 54.840 -0.210 0.000 0.824 533 L CB 0.855 42.774 42.059 -0.234 0.000 1.263 533 L HN 0.228 nan 8.230 nan 0.000 0.410 534 I N 5.331 125.768 120.570 -0.222 0.000 2.512 534 I HA 0.280 4.450 4.170 0.000 0.000 0.287 534 I C -0.907 175.110 176.117 -0.167 0.000 1.069 534 I CA -0.538 60.621 61.300 -0.235 0.000 1.056 534 I CB 2.098 40.006 38.000 -0.153 0.000 1.229 534 I HN 0.463 nan 8.210 nan 0.000 0.429 535 L N 5.560 126.656 121.223 -0.212 0.000 2.367 535 L HA 0.118 4.458 4.340 0.000 0.000 0.275 535 L C 1.382 178.316 176.870 0.105 0.000 1.129 535 L CA -0.215 54.565 54.840 -0.100 0.000 0.839 535 L CB 0.767 42.746 42.059 -0.132 0.000 1.133 535 L HN 0.862 nan 8.230 nan 0.000 0.453 536 C N 0.023 119.365 119.300 0.070 0.000 2.464 536 C HA 0.174 4.634 4.460 0.000 0.000 0.278 536 C C 0.679 175.784 174.990 0.191 0.000 1.375 536 C CA -0.146 58.957 59.018 0.141 0.000 1.761 536 C CB -0.964 26.776 27.740 -0.000 0.000 1.944 536 C HN 0.843 nan 8.230 nan 0.000 0.509 537 E N -0.901 119.333 120.200 0.056 0.000 2.304 537 E HA 0.635 4.985 4.350 0.000 0.000 0.277 537 E C -1.271 175.245 176.600 -0.139 0.000 0.898 537 E CA -0.398 55.998 56.400 -0.006 0.000 0.764 537 E CB 2.034 31.485 29.700 -0.415 0.000 1.216 537 E HN 0.645 nan 8.360 nan 0.000 0.419 538 Y N -0.386 119.872 120.300 -0.069 0.000 2.656 538 Y HA 0.630 5.180 4.550 0.000 0.000 0.334 538 Y C -0.732 175.325 175.900 0.262 0.000 1.179 538 Y CA -0.893 57.203 58.100 -0.007 0.000 1.050 538 Y CB 0.978 39.311 38.460 -0.211 0.000 1.308 538 Y HN 0.660 nan 8.280 nan 0.000 0.456 539 A N 2.226 125.101 122.820 0.092 0.000 2.303 539 A HA -0.273 4.047 4.320 0.000 0.000 0.286 539 A C -0.246 177.454 177.584 0.194 0.000 1.429 539 A CA 1.076 53.155 52.037 0.070 0.000 0.738 539 A CB -2.498 16.421 19.000 -0.135 0.000 1.149 539 A HN 1.114 nan 8.150 nan 0.000 0.364 540 H N 0.549 119.762 119.070 0.238 0.000 3.237 540 H HA 0.159 4.715 4.556 0.000 0.000 0.270 540 H C 1.266 176.637 175.328 0.072 0.000 0.900 540 H CA 0.802 56.984 56.048 0.223 0.000 1.415 540 H CB 0.385 30.155 29.762 0.012 0.000 1.484 540 H HN 0.840 nan 8.280 nan 0.000 0.540 541 A N 6.456 129.148 122.820 -0.214 0.000 2.416 541 A HA 0.031 4.351 4.320 0.000 0.000 0.252 541 A C 0.980 178.385 177.584 -0.299 0.000 1.353 541 A CA -0.344 51.548 52.037 -0.242 0.000 0.996 541 A CB -0.535 18.317 19.000 -0.246 0.000 0.961 541 A HN 0.790 nan 8.150 nan 0.000 0.523 542 M N 1.316 120.704 119.600 -0.353 0.000 2.220 542 M HA 0.425 4.905 4.480 0.000 0.000 0.343 542 M C 0.982 177.141 176.300 -0.235 0.000 1.470 542 M CA 1.242 56.370 55.300 -0.286 0.000 1.161 542 M CB -0.374 32.089 32.600 -0.229 0.000 1.737 542 M HN 0.771 nan 8.290 nan 0.000 0.464 543 G N 4.507 113.158 108.800 -0.248 0.000 2.550 543 G HA2 -0.339 3.621 3.960 0.000 0.000 0.277 543 G HA3 -0.339 3.621 3.960 0.000 0.000 0.277 543 G C -0.187 174.284 174.900 -0.715 0.000 1.190 543 G CA 0.069 44.887 45.100 -0.470 0.000 0.971 543 G HN 0.826 nan 8.290 nan 0.000 0.559 544 N N 1.498 119.603 118.700 -0.992 0.000 2.466 544 N HA 0.507 5.247 4.740 0.000 0.000 0.263 544 N C 0.022 175.283 175.510 -0.415 0.000 1.178 544 N CA 1.111 53.699 53.050 -0.770 0.000 0.983 544 N CB 0.422 38.463 38.487 -0.745 0.000 1.331 544 N HN 0.747 nan 8.380 nan 0.000 0.500 545 S N 1.702 117.237 115.700 -0.275 0.000 3.144 545 S HA 0.580 5.050 4.470 0.000 0.000 0.325 545 S C -0.110 174.413 174.600 -0.127 0.000 1.161 545 S CA -0.388 57.702 58.200 -0.184 0.000 0.920 545 S CB 0.164 63.275 63.200 -0.150 0.000 1.340 545 S HN 0.377 nan 8.310 nan 0.000 0.681 546 L N 0.207 121.383 121.223 -0.078 0.000 4.613 546 L HA -0.070 4.270 4.340 0.000 0.000 0.409 546 L C 0.452 177.350 176.870 0.046 0.000 1.100 546 L CA 0.916 55.732 54.840 -0.040 0.000 1.029 546 L CB -1.729 40.225 42.059 -0.174 0.000 2.137 546 L HN 0.694 nan 8.230 nan 0.000 0.713 547 G N -0.759 108.041 108.800 -0.000 0.000 2.343 547 G HA2 0.486 4.446 3.960 0.000 0.000 0.254 547 G HA3 0.486 4.446 3.960 0.000 0.000 0.254 547 G C 1.215 176.157 174.900 0.070 0.000 1.277 547 G CA 0.191 45.276 45.100 -0.026 0.000 0.909 547 G HN 1.382 nan 8.290 nan 0.000 0.502 548 G N 1.874 110.728 108.800 0.091 0.000 2.179 548 G HA2 -0.293 3.667 3.960 0.000 0.000 0.220 548 G HA3 -0.293 3.667 3.960 0.000 0.000 0.220 548 G C 1.025 176.127 174.900 0.336 0.000 0.990 548 G CA 0.642 45.848 45.100 0.176 0.000 0.646 548 G HN 0.736 nan 8.290 nan 0.000 0.517 549 F N 2.069 122.149 119.950 0.216 0.000 2.087 549 F HA 0.014 4.541 4.527 0.000 0.000 0.299 549 F C 2.739 178.772 175.800 0.388 0.000 1.100 549 F CA 2.852 61.049 58.000 0.328 0.000 1.226 549 F CB -0.533 38.587 39.000 0.199 0.000 0.983 549 F HN 0.382 nan 8.300 nan 0.000 0.479 550 A N -0.193 122.786 122.820 0.266 0.000 1.978 550 A HA -0.225 4.095 4.320 0.000 0.000 0.220 550 A C 2.312 179.909 177.584 0.021 0.000 1.170 550 A CA 1.719 53.841 52.037 0.141 0.000 0.636 550 A CB -0.692 18.398 19.000 0.149 0.000 0.810 550 A HN 0.421 nan 8.150 nan 0.000 0.448 551 K N -1.389 119.008 120.400 -0.006 0.000 2.044 551 K HA -0.215 4.105 4.320 0.000 0.000 0.210 551 K C 1.843 178.203 176.600 -0.401 0.000 1.049 551 K CA 2.047 58.237 56.287 -0.161 0.000 0.927 551 K CB -0.434 31.948 32.500 -0.196 0.000 0.713 551 K HN 0.665 nan 8.250 nan 0.000 0.443 552 Y N -0.516 119.495 120.300 -0.482 0.000 2.097 552 Y HA -0.279 4.271 4.550 0.000 0.000 0.282 552 Y C 2.296 177.186 175.900 -1.684 0.000 1.152 552 Y CA 1.543 58.979 58.100 -1.106 0.000 1.136 552 Y CB -0.578 37.243 38.460 -1.065 0.000 0.975 552 Y HN 0.183 nan 8.280 nan 0.000 0.498 553 W N 0.366 121.228 121.300 -0.732 0.000 2.321 553 W HA -0.255 4.405 4.660 0.000 0.000 0.306 553 W C 2.714 179.045 176.519 -0.314 0.000 1.217 553 W CA 2.044 59.092 57.345 -0.495 0.000 1.257 553 W CB -0.742 28.514 29.460 -0.339 0.000 1.145 553 W HN 0.154 nan 8.180 nan 0.000 0.509 554 Q N 0.203 119.894 119.800 -0.181 0.000 2.079 554 Q HA -0.187 4.153 4.340 0.000 0.000 0.200 554 Q C 2.276 178.198 176.000 -0.130 0.000 0.974 554 Q CA 1.932 57.676 55.803 -0.100 0.000 0.840 554 Q CB -0.398 28.298 28.738 -0.070 0.000 0.898 554 Q HN 0.228 nan 8.270 nan 0.000 0.430 555 A N 0.358 123.001 122.820 -0.294 0.000 1.902 555 A HA -0.136 4.184 4.320 0.000 0.000 0.217 555 A C 1.864 179.404 177.584 -0.074 0.000 1.181 555 A CA 1.125 53.034 52.037 -0.214 0.000 0.623 555 A CB -1.071 17.676 19.000 -0.422 0.000 0.818 555 A HN 0.535 nan 8.150 nan 0.000 0.443 556 F N -0.296 119.469 119.950 -0.308 0.000 2.120 556 F HA -0.242 4.285 4.527 0.000 0.000 0.300 556 F C 2.757 178.451 175.800 -0.175 0.000 1.095 556 F CA 1.228 59.017 58.000 -0.353 0.000 1.249 556 F CB -0.191 38.395 39.000 -0.690 0.000 0.995 556 F HN 0.157 nan 8.300 nan 0.000 0.480 557 R N 0.037 120.590 120.500 0.089 0.000 2.148 557 R HA -0.182 4.158 4.340 0.000 0.000 0.227 557 R C 2.067 178.400 176.300 0.054 0.000 1.103 557 R CA 1.282 57.420 56.100 0.064 0.000 0.983 557 R CB -0.383 29.951 30.300 0.055 0.000 0.874 557 R HN 0.429 nan 8.270 nan 0.000 0.451 558 Q N -0.417 119.445 119.800 0.103 0.000 2.376 558 Q HA -0.016 4.324 4.340 0.000 0.000 0.206 558 Q C -0.582 175.441 176.000 0.039 0.000 0.921 558 Q CA 0.535 56.382 55.803 0.074 0.000 0.911 558 Q CB 0.534 29.331 28.738 0.099 0.000 1.032 558 Q HN 0.177 nan 8.270 nan 0.000 0.510 559 Y N 0.332 120.608 120.300 -0.040 0.000 2.334 559 Y HA 0.312 4.862 4.550 0.000 0.000 0.336 559 Y C -1.806 174.064 175.900 -0.049 0.000 0.960 559 Y CA -2.914 55.163 58.100 -0.039 0.000 1.164 559 Y CB 1.507 39.946 38.460 -0.034 0.000 1.155 559 Y HN 0.072 nan 8.280 nan 0.000 0.478 560 P HA -0.221 nan 4.420 nan 0.000 0.215 560 P C 1.264 178.564 177.300 -0.001 0.000 1.163 560 P CA 1.884 64.987 63.100 0.004 0.000 0.894 560 P CB 0.335 32.022 31.700 -0.021 0.000 0.791 561 R N -1.097 119.420 120.500 0.028 0.000 2.316 561 R HA 0.065 4.405 4.340 0.000 0.000 0.202 561 R C 0.543 176.819 176.300 -0.039 0.000 1.029 561 R CA 0.240 56.338 56.100 -0.003 0.000 1.018 561 R CB -0.553 29.756 30.300 0.015 0.000 0.888 561 R HN 0.289 nan 8.270 nan 0.000 0.471 562 L N 2.041 123.256 121.223 -0.014 0.000 2.282 562 L HA 0.131 4.471 4.340 0.000 0.000 0.287 562 L C 0.683 177.413 176.870 -0.232 0.000 1.075 562 L CA 0.108 54.894 54.840 -0.090 0.000 0.839 562 L CB 1.181 43.256 42.059 0.026 0.000 1.219 562 L HN 0.023 nan 8.230 nan 0.000 0.434 563 Q N 2.879 122.474 119.800 -0.342 0.000 2.201 563 Q HA 0.332 4.672 4.340 0.000 0.000 0.217 563 Q C 0.844 176.439 176.000 -0.675 0.000 0.860 563 Q CA 0.101 55.658 55.803 -0.409 0.000 0.984 563 Q CB 0.978 29.564 28.738 -0.254 0.000 1.095 563 Q HN 0.941 nan 8.270 nan 0.000 0.477 564 G N -0.290 107.752 108.800 -1.264 0.000 2.416 564 G HA2 0.143 4.103 3.960 0.000 0.000 0.203 564 G HA3 0.143 4.103 3.960 0.000 0.000 0.203 564 G C -0.338 173.804 174.900 -1.264 0.000 1.227 564 G CA -0.741 43.301 45.100 -1.764 0.000 1.041 564 G HN 0.583 nan 8.290 nan 0.000 0.546 565 G N -2.233 106.049 108.800 -0.864 0.000 2.342 565 G HA2 0.655 4.615 3.960 0.000 0.000 0.297 565 G HA3 0.655 4.615 3.960 0.000 0.000 0.297 565 G C -1.873 172.899 174.900 -0.214 0.000 1.313 565 G CA -0.324 44.478 45.100 -0.497 0.000 0.830 565 G HN 1.132 nan 8.290 nan 0.000 0.506 566 F N 0.491 120.666 119.950 0.376 0.000 2.449 566 F HA 0.542 5.069 4.527 0.000 0.000 0.342 566 F C 0.676 176.751 175.800 0.459 0.000 1.127 566 F CA -0.774 57.471 58.000 0.408 0.000 0.975 566 F CB 2.235 41.373 39.000 0.230 0.000 1.146 566 F HN 0.253 nan 8.300 nan 0.000 0.444 567 V N 3.172 123.381 119.914 0.490 0.000 2.811 567 V HA -0.051 4.069 4.120 0.000 0.000 0.302 567 V C -0.403 175.840 176.094 0.247 0.000 1.063 567 V CA -0.440 61.959 62.300 0.166 0.000 1.088 567 V CB 1.011 32.906 31.823 0.119 0.000 0.982 567 V HN 0.765 nan 8.190 nan 0.000 0.485 568 W N 6.472 127.830 121.300 0.097 0.000 2.336 568 W HA 0.471 5.131 4.660 0.000 0.000 0.315 568 W C -0.927 175.586 176.519 -0.010 0.000 1.016 568 W CA -0.627 56.800 57.345 0.137 0.000 1.318 568 W CB 1.381 31.055 29.460 0.357 0.000 1.247 568 W HN 0.901 nan 8.180 nan 0.000 0.414 569 D N 3.057 123.121 120.400 -0.560 0.000 2.752 569 D HA 0.072 4.712 4.640 0.000 0.000 0.313 569 D C 0.664 176.727 176.300 -0.396 0.000 1.225 569 D CA -0.530 53.021 54.000 -0.748 0.000 0.976 569 D CB 0.306 40.033 40.800 -1.788 0.000 1.443 569 D HN 0.447 nan 8.370 nan 0.000 0.515 570 W N 0.725 121.695 121.300 -0.551 0.000 2.322 570 W HA -0.007 4.653 4.660 0.000 0.000 0.326 570 W C -0.025 176.243 176.519 -0.418 0.000 1.224 570 W CA 1.512 58.588 57.345 -0.448 0.000 1.257 570 W CB 0.135 29.366 29.460 -0.383 0.000 1.174 570 W HN 0.216 nan 8.180 nan 0.000 0.460 571 V N 0.916 120.624 119.914 -0.343 0.000 2.769 571 V HA 0.273 4.393 4.120 0.000 0.000 0.312 571 V C -0.499 175.385 176.094 -0.351 0.000 1.061 571 V CA -1.174 60.852 62.300 -0.457 0.000 0.931 571 V CB 1.385 33.059 31.823 -0.247 0.000 1.010 571 V HN -0.072 nan 8.190 nan 0.000 0.433 572 D N 2.048 122.257 120.400 -0.319 0.000 2.443 572 D HA 0.103 4.743 4.640 0.000 0.000 0.239 572 D C 0.090 176.222 176.300 -0.281 0.000 1.136 572 D CA 0.365 54.225 54.000 -0.233 0.000 0.879 572 D CB 1.120 41.881 40.800 -0.066 0.000 1.195 572 D HN 0.629 nan 8.370 nan 0.000 0.443 573 Q N 0.979 120.560 119.800 -0.365 0.000 3.207 573 Q HA 0.151 4.491 4.340 0.000 0.000 0.335 573 Q C -0.370 175.625 176.000 -0.010 0.000 1.374 573 Q CA -0.326 55.088 55.803 -0.649 0.000 1.023 573 Q CB 0.190 28.613 28.738 -0.526 0.000 1.576 573 Q HN 0.359 nan 8.270 nan 0.000 0.515 574 S N -0.010 115.793 115.700 0.171 0.000 2.549 574 S HA 0.689 5.159 4.470 0.000 0.000 0.297 574 S C -0.246 174.549 174.600 0.325 0.000 1.115 574 S CA -0.834 57.574 58.200 0.347 0.000 1.059 574 S CB 1.644 65.008 63.200 0.273 0.000 1.046 574 S HN 0.312 nan 8.310 nan 0.000 0.506 575 L N 1.722 123.057 121.223 0.186 0.000 2.330 575 L HA 0.593 4.933 4.340 0.000 0.000 0.271 575 L C -0.422 176.366 176.870 -0.136 0.000 1.013 575 L CA -1.097 53.713 54.840 -0.049 0.000 0.816 575 L CB 1.432 43.333 42.059 -0.265 0.000 1.287 575 L HN 0.626 nan 8.230 nan 0.000 0.435 576 I N 1.731 122.160 120.570 -0.236 0.000 2.472 576 I HA 0.253 4.423 4.170 0.000 0.000 0.290 576 I C 0.057 175.793 176.117 -0.635 0.000 1.016 576 I CA 0.159 61.194 61.300 -0.441 0.000 1.348 576 I CB 0.888 38.648 38.000 -0.400 0.000 1.417 576 I HN 0.518 nan 8.210 nan 0.000 0.521 577 K N 4.305 124.023 120.400 -1.137 0.000 2.466 577 K HA 0.585 4.905 4.320 0.000 0.000 0.260 577 K C -1.778 174.049 176.600 -1.288 0.000 1.011 577 K CA -0.872 54.698 56.287 -1.195 0.000 0.871 577 K CB 2.315 33.816 32.500 -1.666 0.000 1.404 577 K HN 0.245 nan 8.250 nan 0.000 0.450 578 Y N 0.341 120.434 120.300 -0.345 0.000 2.499 578 Y HA 0.198 4.748 4.550 0.000 0.000 0.347 578 Y C -0.026 176.016 175.900 0.237 0.000 0.987 578 Y CA -1.228 56.863 58.100 -0.015 0.000 1.044 578 Y CB 1.226 39.678 38.460 -0.014 0.000 1.245 578 Y HN 0.640 nan 8.280 nan 0.000 0.461 579 D N -0.373 120.306 120.400 0.466 0.000 2.432 579 D HA 0.157 4.797 4.640 0.000 0.000 0.258 579 D C 0.470 176.890 176.300 0.199 0.000 1.146 579 D CA -0.567 53.616 54.000 0.305 0.000 1.015 579 D CB 0.756 41.672 40.800 0.193 0.000 1.107 579 D HN 0.539 nan 8.370 nan 0.000 0.529 580 E N -0.021 120.250 120.200 0.117 0.000 2.130 580 E HA -0.213 4.137 4.350 0.000 0.000 0.196 580 E C 0.785 177.423 176.600 0.063 0.000 0.998 580 E CA 1.368 57.809 56.400 0.069 0.000 0.806 580 E CB -0.666 29.057 29.700 0.039 0.000 0.738 580 E HN 0.427 nan 8.360 nan 0.000 0.459 581 N N 0.529 119.276 118.700 0.078 0.000 2.434 581 N HA 0.114 4.854 4.740 0.000 0.000 0.196 581 N C 0.638 176.202 175.510 0.090 0.000 1.183 581 N CA 0.829 53.919 53.050 0.068 0.000 0.849 581 N CB 0.304 38.826 38.487 0.058 0.000 0.992 581 N HN 0.316 nan 8.380 nan 0.000 0.460 582 G N 0.723 109.593 108.800 0.118 0.000 2.273 582 G HA2 -0.286 3.674 3.960 0.000 0.000 0.280 582 G HA3 -0.286 3.674 3.960 0.000 0.000 0.280 582 G C -0.469 174.613 174.900 0.303 0.000 1.047 582 G CA -0.261 44.917 45.100 0.131 0.000 0.869 582 G HN 0.307 nan 8.290 nan 0.000 0.502 583 N N 1.024 119.921 118.700 0.329 0.000 2.421 583 N HA 0.489 5.229 4.740 0.000 0.000 0.285 583 N C -2.464 173.222 175.510 0.294 0.000 1.027 583 N CA -1.483 51.745 53.050 0.298 0.000 0.918 583 N CB 2.116 40.720 38.487 0.196 0.000 1.152 583 N HN 0.129 nan 8.380 nan 0.000 0.485 584 P HA 0.298 nan 4.420 nan 0.000 0.279 584 P C -0.559 176.658 177.300 -0.139 0.000 1.239 584 P CA -0.315 62.504 63.100 -0.468 0.000 0.789 584 P CB 0.630 32.117 31.700 -0.356 0.000 0.933 585 W N -0.163 120.864 121.300 -0.455 0.000 3.213 585 W HA 0.382 5.042 4.660 0.000 0.000 0.318 585 W C -1.492 174.841 176.519 -0.310 0.000 1.248 585 W CA -1.013 56.103 57.345 -0.381 0.000 1.187 585 W CB 0.264 29.362 29.460 -0.602 0.000 1.403 585 W HN 0.148 nan 8.180 nan 0.000 0.556 586 S N 1.891 117.659 115.700 0.114 0.000 2.481 586 S HA 0.557 5.027 4.470 0.000 0.000 0.276 586 S C 0.198 174.980 174.600 0.304 0.000 1.247 586 S CA -0.245 58.025 58.200 0.117 0.000 1.053 586 S CB 0.976 64.281 63.200 0.175 0.000 0.925 586 S HN 0.664 nan 8.310 nan 0.000 0.491 587 A N 2.833 125.692 122.820 0.066 0.000 2.337 587 A HA 0.879 5.199 4.320 0.000 0.000 0.331 587 A C -0.631 177.254 177.584 0.501 0.000 1.137 587 A CA -0.822 51.317 52.037 0.170 0.000 0.807 587 A CB 0.704 19.542 19.000 -0.271 0.000 1.250 587 A HN 0.870 nan 8.150 nan 0.000 0.468 588 Y N -0.763 119.893 120.300 0.594 0.000 2.965 588 Y HA 0.766 5.316 4.550 0.000 0.000 0.310 588 Y C 0.620 176.900 175.900 0.633 0.000 1.480 588 Y CA -1.362 57.072 58.100 0.557 0.000 1.094 588 Y CB -0.019 38.591 38.460 0.250 0.000 1.377 588 Y HN 0.960 nan 8.280 nan 0.000 0.514 589 G N 0.014 109.213 108.800 0.664 0.000 2.224 589 G HA2 0.355 4.315 3.960 0.000 0.000 0.239 589 G HA3 0.355 4.315 3.960 0.000 0.000 0.239 589 G C 1.002 176.243 174.900 0.568 0.000 1.240 589 G CA 0.504 45.930 45.100 0.543 0.000 0.896 589 G HN 2.021 nan 8.290 nan 0.000 0.496 590 G N 2.279 111.383 108.800 0.508 0.000 2.234 590 G HA2 -0.288 3.672 3.960 0.000 0.000 0.260 590 G HA3 -0.288 3.672 3.960 0.000 0.000 0.260 590 G C 0.882 175.996 174.900 0.357 0.000 0.987 590 G CA 0.717 46.050 45.100 0.388 0.000 0.625 590 G HN 0.669 nan 8.290 nan 0.000 0.532 591 D N -0.360 120.288 120.400 0.413 0.000 2.392 591 D HA 0.145 4.785 4.640 0.000 0.000 0.228 591 D C 1.250 177.408 176.300 -0.236 0.000 1.003 591 D CA 0.557 54.629 54.000 0.121 0.000 0.917 591 D CB -0.200 40.634 40.800 0.056 0.000 0.890 591 D HN 0.480 nan 8.370 nan 0.000 0.532 592 F N -1.066 118.998 119.950 0.190 0.000 2.735 592 F HA 0.313 4.840 4.527 0.000 0.000 0.308 592 F C 1.739 177.621 175.800 0.137 0.000 1.112 592 F CA -0.295 57.781 58.000 0.127 0.000 1.235 592 F CB 0.598 39.668 39.000 0.116 0.000 1.027 592 F HN -0.070 nan 8.300 nan 0.000 0.528 593 G N 0.746 109.706 108.800 0.267 0.000 2.155 593 G HA2 -0.297 3.663 3.960 0.000 0.000 0.257 593 G HA3 -0.297 3.663 3.960 0.000 0.000 0.257 593 G C -0.140 174.902 174.900 0.238 0.000 0.983 593 G CA 0.306 45.531 45.100 0.207 0.000 0.676 593 G HN 0.431 nan 8.290 nan 0.000 0.528 594 D N 0.446 121.042 120.400 0.327 0.000 2.425 594 D HA 0.429 5.069 4.640 0.000 0.000 0.247 594 D C 0.010 176.441 176.300 0.219 0.000 1.147 594 D CA 0.532 54.712 54.000 0.299 0.000 0.879 594 D CB 1.188 42.224 40.800 0.392 0.000 1.179 594 D HN 0.059 nan 8.370 nan 0.000 0.456 595 T N 2.333 116.986 114.554 0.166 0.000 2.952 595 T HA 0.482 4.832 4.350 0.000 0.000 0.305 595 T C -2.360 172.384 174.700 0.073 0.000 1.064 595 T CA -0.949 61.215 62.100 0.107 0.000 1.008 595 T CB 1.974 70.900 68.868 0.095 0.000 1.078 595 T HN 0.382 nan 8.240 nan 0.000 0.459 596 P HA 0.531 nan 4.420 nan 0.000 0.281 596 P C -1.149 176.140 177.300 -0.018 0.000 1.281 596 P CA -0.725 62.376 63.100 0.001 0.000 0.811 596 P CB 0.788 32.461 31.700 -0.044 0.000 1.154 597 N N -1.164 117.525 118.700 -0.019 0.000 2.610 597 N HA 0.172 4.912 4.740 0.000 0.000 0.264 597 N C -1.063 174.409 175.510 -0.064 0.000 1.348 597 N CA -0.533 52.492 53.050 -0.042 0.000 0.819 597 N CB 1.534 40.096 38.487 0.124 0.000 1.521 597 N HN 0.202 nan 8.380 nan 0.000 0.497 598 D N 0.011 120.351 120.400 -0.101 0.000 2.462 598 D HA 0.187 4.827 4.640 0.000 0.000 0.221 598 D C 0.372 176.851 176.300 0.298 0.000 1.173 598 D CA -0.197 53.807 54.000 0.007 0.000 0.831 598 D CB 0.942 41.613 40.800 -0.215 0.000 1.001 598 D HN 0.552 nan 8.370 nan 0.000 0.499 599 R N 0.116 120.826 120.500 0.349 0.000 3.853 599 R HA -0.333 4.007 4.340 0.000 0.000 0.440 599 R C 1.389 177.721 176.300 0.053 0.000 0.241 599 R CA 1.824 58.127 56.100 0.340 0.000 1.395 599 R CB -1.335 29.096 30.300 0.218 0.000 0.984 599 R HN 0.052 nan 8.270 nan 0.000 0.570 600 Q N 0.268 119.802 119.800 -0.444 0.000 2.291 600 Q HA -0.028 4.312 4.340 0.000 0.000 0.206 600 Q C 1.717 177.536 176.000 -0.301 0.000 0.976 600 Q CA 1.659 57.075 55.803 -0.646 0.000 0.875 600 Q CB -0.259 28.043 28.738 -0.727 0.000 0.927 600 Q HN 0.423 nan 8.270 nan 0.000 0.450 601 F N 1.091 120.915 119.950 -0.210 0.000 2.214 601 F HA -0.300 4.227 4.527 0.000 0.000 0.302 601 F C 1.691 177.397 175.800 -0.156 0.000 1.063 601 F CA 1.227 59.185 58.000 -0.069 0.000 1.319 601 F CB -0.232 38.814 39.000 0.078 0.000 1.046 601 F HN 0.357 nan 8.300 nan 0.000 0.505 602 C N -1.350 117.577 119.300 -0.623 0.000 2.576 602 C HA 0.223 4.683 4.460 0.000 0.000 0.267 602 C C 0.974 175.703 174.990 -0.435 0.000 1.364 602 C CA -0.522 58.025 59.018 -0.785 0.000 1.723 602 C CB -1.935 24.888 27.740 -1.528 0.000 1.778 602 C HN 0.201 nan 8.230 nan 0.000 0.572 603 M N 2.965 122.352 119.600 -0.356 0.000 2.036 603 M HA 0.340 4.820 4.480 0.000 0.000 0.337 603 M C -0.473 175.658 176.300 -0.281 0.000 1.012 603 M CA 0.244 55.392 55.300 -0.253 0.000 0.962 603 M CB 0.509 33.019 32.600 -0.150 0.000 1.423 603 M HN 0.218 nan 8.290 nan 0.000 0.405 604 N N 1.573 120.090 118.700 -0.305 0.000 2.232 604 N HA 0.163 4.903 4.740 0.000 0.000 0.240 604 N C 0.212 175.475 175.510 -0.411 0.000 1.307 604 N CA -0.097 52.725 53.050 -0.381 0.000 0.859 604 N CB 1.348 39.651 38.487 -0.307 0.000 1.260 604 N HN 0.712 nan 8.380 nan 0.000 0.501 605 G N -0.012 108.531 108.800 -0.430 0.000 2.504 605 G HA2 0.449 4.409 3.960 0.000 0.000 0.288 605 G HA3 0.449 4.409 3.960 0.000 0.000 0.288 605 G C 0.889 175.328 174.900 -0.767 0.000 1.182 605 G CA -0.473 44.286 45.100 -0.569 0.000 0.894 605 G HN 0.108 nan 8.290 nan 0.000 0.521 606 L N -0.246 120.520 121.223 -0.762 0.000 2.418 606 L HA 0.156 4.496 4.340 0.000 0.000 0.218 606 L C 0.713 176.906 176.870 -1.127 0.000 1.125 606 L CA 0.273 54.655 54.840 -0.763 0.000 0.835 606 L CB -0.087 41.682 42.059 -0.483 0.000 0.953 606 L HN 0.394 nan 8.230 nan 0.000 0.454 607 V N -5.284 113.869 119.914 -1.269 0.000 3.040 607 V HA 0.461 4.581 4.120 0.000 0.000 0.312 607 V C -0.434 175.171 176.094 -0.816 0.000 1.115 607 V CA -1.243 60.433 62.300 -1.040 0.000 0.998 607 V CB 1.682 32.967 31.823 -0.896 0.000 1.042 607 V HN -0.132 nan 8.190 nan 0.000 0.433 608 F N 1.467 121.264 119.950 -0.254 0.000 2.450 608 F HA 0.543 5.070 4.527 0.000 0.000 0.339 608 F C 1.957 177.664 175.800 -0.154 0.000 1.146 608 F CA 0.415 58.387 58.000 -0.047 0.000 1.267 608 F CB 1.389 40.393 39.000 0.007 0.000 1.178 608 F HN 0.826 nan 8.300 nan 0.000 0.585 609 A N 1.269 124.168 122.820 0.133 0.000 1.997 609 A HA -0.295 4.025 4.320 0.000 0.000 0.221 609 A C 1.537 179.086 177.584 -0.058 0.000 1.172 609 A CA 2.184 54.237 52.037 0.028 0.000 0.645 609 A CB -1.112 17.943 19.000 0.092 0.000 0.813 609 A HN 0.862 nan 8.150 nan 0.000 0.454 610 D N -3.093 117.293 120.400 -0.024 0.000 2.336 610 D HA 0.199 4.839 4.640 0.000 0.000 0.229 610 D C 0.528 176.803 176.300 -0.042 0.000 1.061 610 D CA 0.014 53.975 54.000 -0.065 0.000 0.875 610 D CB -0.070 40.698 40.800 -0.054 0.000 0.904 610 D HN 0.185 nan 8.370 nan 0.000 0.525 611 R N -0.798 119.670 120.500 -0.053 0.000 3.527 611 R HA -0.118 4.222 4.340 0.000 0.000 0.288 611 R C -0.621 175.656 176.300 -0.039 0.000 1.146 611 R CA 1.025 57.069 56.100 -0.093 0.000 0.778 611 R CB -3.268 27.013 30.300 -0.032 0.000 1.289 611 R HN 0.562 nan 8.270 nan 0.000 0.454 612 T N -2.341 112.252 114.554 0.064 0.000 2.797 612 T HA 0.729 5.079 4.350 0.000 0.000 0.279 612 T C -2.513 172.334 174.700 0.245 0.000 0.991 612 T CA -2.452 59.738 62.100 0.150 0.000 0.979 612 T CB 2.605 71.548 68.868 0.125 0.000 0.943 612 T HN -0.180 nan 8.240 nan 0.000 0.444 613 P HA 0.144 nan 4.420 nan 0.000 0.268 613 P C -0.142 177.202 177.300 0.073 0.000 1.205 613 P CA -0.080 62.999 63.100 -0.035 0.000 0.771 613 P CB 0.237 31.928 31.700 -0.016 0.000 0.858 614 H N 2.951 121.807 119.070 -0.355 0.000 2.495 614 H HA 0.159 4.715 4.556 0.000 0.000 0.350 614 H C -1.260 173.958 175.328 -0.183 0.000 1.202 614 H CA -2.084 53.747 56.048 -0.362 0.000 1.322 614 H CB 0.582 30.101 29.762 -0.406 0.000 1.544 614 H HN 0.300 nan 8.280 nan 0.000 0.565 615 P HA -0.120 nan 4.420 nan 0.000 0.219 615 P C 1.243 178.539 177.300 -0.007 0.000 1.150 615 P CA 1.274 64.362 63.100 -0.020 0.000 0.814 615 P CB -0.035 31.649 31.700 -0.026 0.000 0.787 616 A N 0.044 122.861 122.820 -0.006 0.000 1.986 616 A HA -0.216 4.104 4.320 0.000 0.000 0.220 616 A C 2.119 179.645 177.584 -0.096 0.000 1.171 616 A CA 1.541 53.538 52.037 -0.065 0.000 0.640 616 A CB -1.744 17.196 19.000 -0.101 0.000 0.811 616 A HN 0.168 nan 8.150 nan 0.000 0.451 617 L N -0.040 121.141 121.223 -0.071 0.000 2.137 617 L HA -0.189 4.151 4.340 0.000 0.000 0.213 617 L C 2.436 179.332 176.870 0.043 0.000 1.085 617 L CA 2.742 57.567 54.840 -0.025 0.000 0.760 617 L CB -0.807 41.233 42.059 -0.031 0.000 0.893 617 L HN 0.433 nan 8.230 nan 0.000 0.434 618 T N -1.520 113.066 114.554 0.053 0.000 2.812 618 T HA -0.162 4.188 4.350 0.000 0.000 0.264 618 T C 1.698 176.491 174.700 0.155 0.000 1.042 618 T CA 1.202 63.387 62.100 0.142 0.000 1.140 618 T CB -0.158 68.777 68.868 0.113 0.000 0.870 618 T HN 0.335 nan 8.240 nan 0.000 0.445 619 E N 1.708 121.947 120.200 0.065 0.000 2.085 619 E HA -0.100 4.250 4.350 0.000 0.000 0.194 619 E C 2.229 178.836 176.600 0.011 0.000 0.994 619 E CA 1.402 57.846 56.400 0.074 0.000 0.801 619 E CB -0.534 29.176 29.700 0.017 0.000 0.743 619 E HN 0.447 nan 8.360 nan 0.000 0.453 620 A N 0.909 123.624 122.820 -0.174 0.000 1.877 620 A HA -0.250 4.070 4.320 0.000 0.000 0.216 620 A C 2.178 179.661 177.584 -0.170 0.000 1.186 620 A CA 2.045 53.931 52.037 -0.251 0.000 0.620 620 A CB -0.699 18.133 19.000 -0.280 0.000 0.822 620 A HN 0.290 nan 8.150 nan 0.000 0.443 621 K N -1.248 119.127 120.400 -0.042 0.000 2.074 621 K HA -0.303 4.017 4.320 0.000 0.000 0.209 621 K C 2.061 178.573 176.600 -0.146 0.000 1.048 621 K CA 2.123 58.399 56.287 -0.019 0.000 0.926 621 K CB -0.352 32.272 32.500 0.206 0.000 0.713 621 K HN 0.660 nan 8.250 nan 0.000 0.444 622 H N 0.308 119.216 119.070 -0.271 0.000 2.326 622 H HA -0.019 4.537 4.556 0.000 0.000 0.301 622 H C 1.919 176.973 175.328 -0.456 0.000 1.081 622 H CA 1.816 57.516 56.048 -0.580 0.000 1.334 622 H CB 0.013 29.441 29.762 -0.557 0.000 1.385 622 H HN 0.236 nan 8.280 nan 0.000 0.504 623 Q N 0.235 119.759 119.800 -0.459 0.000 2.291 623 Q HA -0.105 4.235 4.340 0.000 0.000 0.206 623 Q C 1.653 177.113 176.000 -0.899 0.000 0.976 623 Q CA 1.238 56.680 55.803 -0.601 0.000 0.875 623 Q CB 0.016 28.513 28.738 -0.402 0.000 0.927 623 Q HN 0.731 nan 8.270 nan 0.000 0.450 624 Q N 0.755 120.021 119.800 -0.890 0.000 2.360 624 Q HA 0.027 4.367 4.340 0.000 0.000 0.202 624 Q C 0.120 175.571 176.000 -0.915 0.000 0.915 624 Q CA -0.243 54.904 55.803 -1.093 0.000 0.943 624 Q CB 0.232 28.355 28.738 -1.025 0.000 1.064 624 Q HN 0.456 nan 8.270 nan 0.000 0.511 625 Q N -0.412 118.992 119.800 -0.660 0.000 2.428 625 Q HA -0.038 4.302 4.340 0.000 0.000 0.276 625 Q C -0.268 175.332 176.000 -0.667 0.000 1.059 625 Q CA 0.323 55.844 55.803 -0.470 0.000 0.923 625 Q CB 0.322 28.933 28.738 -0.211 0.000 1.283 625 Q HN 0.167 nan 8.270 nan 0.000 0.447 626 F N -0.073 119.622 119.950 -0.425 0.000 2.797 626 F HA 0.261 4.788 4.527 0.000 0.000 0.302 626 F C -0.107 175.120 175.800 -0.954 0.000 1.130 626 F CA -0.000 57.514 58.000 -0.810 0.000 1.387 626 F CB 0.387 38.570 39.000 -1.362 0.000 1.107 626 F HN 0.352 nan 8.300 nan 0.000 0.577 627 F N 0.209 120.067 119.950 -0.153 0.000 2.495 627 F HA 0.488 5.015 4.527 0.000 0.000 0.327 627 F C -0.088 175.373 175.800 -0.565 0.000 1.103 627 F CA -1.038 56.777 58.000 -0.308 0.000 0.949 627 F CB 1.277 40.112 39.000 -0.276 0.000 1.142 627 F HN -0.320 nan 8.300 nan 0.000 0.457 628 Q N 3.135 122.663 119.800 -0.453 0.000 2.365 628 Q HA 0.525 4.865 4.340 0.000 0.000 0.269 628 Q C -1.431 174.223 176.000 -0.575 0.000 1.061 628 Q CA -0.661 54.876 55.803 -0.443 0.000 0.816 628 Q CB 3.046 31.675 28.738 -0.182 0.000 1.325 628 Q HN 0.539 nan 8.270 nan 0.000 0.446 629 F N 0.345 120.414 119.950 0.197 0.000 2.522 629 F HA 0.601 5.128 4.527 0.000 0.000 0.324 629 F C 0.496 176.520 175.800 0.374 0.000 1.077 629 F CA -0.852 57.337 58.000 0.316 0.000 0.944 629 F CB 1.988 41.286 39.000 0.497 0.000 1.175 629 F HN 0.101 nan 8.300 nan 0.000 0.468 630 R N 1.839 122.653 120.500 0.523 0.000 2.628 630 R HA 0.622 4.962 4.340 0.000 0.000 0.288 630 R C -1.986 174.397 176.300 0.139 0.000 0.980 630 R CA -1.161 55.146 56.100 0.345 0.000 0.891 630 R CB 2.651 33.058 30.300 0.179 0.000 1.188 630 R HN 0.609 nan 8.270 nan 0.000 0.450 631 L N 1.506 122.703 121.223 -0.045 0.000 2.313 631 L HA 0.475 4.815 4.340 0.000 0.000 0.283 631 L C -0.980 175.741 176.870 -0.249 0.000 1.013 631 L CA 0.151 54.730 54.840 -0.435 0.000 0.816 631 L CB 1.950 43.279 42.059 -1.217 0.000 1.236 631 L HN 0.468 nan 8.230 nan 0.000 0.419 632 S N 3.905 119.482 115.700 -0.206 0.000 2.774 632 S HA 0.697 5.167 4.470 0.000 0.000 0.297 632 S C 0.375 174.890 174.600 -0.141 0.000 1.143 632 S CA 0.225 58.344 58.200 -0.135 0.000 1.090 632 S CB 0.221 63.377 63.200 -0.073 0.000 1.019 632 S HN 1.475 nan 8.310 nan 0.000 0.482 633 G N 4.246 112.961 108.800 -0.142 0.000 2.574 633 G HA2 -0.286 3.674 3.960 0.000 0.000 0.301 633 G HA3 -0.286 3.674 3.960 0.000 0.000 0.301 633 G C 0.381 175.180 174.900 -0.168 0.000 1.166 633 G CA 0.586 45.609 45.100 -0.130 0.000 0.971 633 G HN 0.645 nan 8.290 nan 0.000 0.542 634 Q N 1.242 120.950 119.800 -0.152 0.000 2.198 634 Q HA 0.239 4.579 4.340 0.000 0.000 0.209 634 Q C -0.067 175.815 176.000 -0.197 0.000 0.848 634 Q CA 0.608 56.302 55.803 -0.182 0.000 0.974 634 Q CB 0.708 29.356 28.738 -0.149 0.000 1.115 634 Q HN 0.548 nan 8.270 nan 0.000 0.494 635 T N 0.746 115.194 114.554 -0.177 0.000 2.797 635 T HA 0.522 4.872 4.350 0.000 0.000 0.279 635 T C 0.023 174.624 174.700 -0.165 0.000 0.991 635 T CA -0.400 61.611 62.100 -0.148 0.000 0.979 635 T CB 1.573 70.386 68.868 -0.092 0.000 0.943 635 T HN 0.034 nan 8.240 nan 0.000 0.444 636 I N 2.401 122.896 120.570 -0.125 0.000 2.359 636 I HA 0.350 4.520 4.170 0.000 0.000 0.294 636 I C 0.446 176.595 176.117 0.053 0.000 0.987 636 I CA -0.716 60.547 61.300 -0.062 0.000 1.225 636 I CB 1.541 39.533 38.000 -0.015 0.000 1.366 636 I HN 0.632 nan 8.210 nan 0.000 0.466 637 E N 6.381 126.643 120.200 0.103 0.000 2.134 637 E HA 0.476 4.826 4.350 0.000 0.000 0.278 637 E C -1.554 175.156 176.600 0.185 0.000 0.959 637 E CA -0.578 55.892 56.400 0.117 0.000 0.783 637 E CB 1.617 31.364 29.700 0.079 0.000 1.095 637 E HN 0.367 nan 8.360 nan 0.000 0.399 638 V N 3.802 123.802 119.914 0.144 0.000 2.513 638 V HA 0.411 4.531 4.120 0.000 0.000 0.299 638 V C -0.116 176.002 176.094 0.041 0.000 1.035 638 V CA -0.622 61.733 62.300 0.091 0.000 0.889 638 V CB 1.929 33.833 31.823 0.135 0.000 0.988 638 V HN 0.741 nan 8.190 nan 0.000 0.440 639 T N 2.676 117.210 114.554 -0.033 0.000 2.848 639 T HA 0.374 4.724 4.350 0.000 0.000 0.285 639 T C -0.314 174.379 174.700 -0.013 0.000 0.995 639 T CA -0.349 61.742 62.100 -0.015 0.000 0.970 639 T CB 1.647 70.486 68.868 -0.047 0.000 0.976 639 T HN 0.677 nan 8.240 nan 0.000 0.441 640 S N 1.591 117.291 115.700 0.000 0.000 2.480 640 S HA 0.261 4.731 4.470 0.000 0.000 0.286 640 S C 0.618 175.107 174.600 -0.183 0.000 1.180 640 S CA -0.587 57.558 58.200 -0.092 0.000 1.075 640 S CB 0.580 63.801 63.200 0.035 0.000 0.996 640 S HN 0.708 nan 8.310 nan 0.000 0.487 641 E N 3.214 123.205 120.200 -0.349 0.000 2.451 641 E HA 0.100 4.450 4.350 0.000 0.000 0.194 641 E C -0.905 175.531 176.600 -0.273 0.000 1.027 641 E CA -0.075 56.153 56.400 -0.287 0.000 0.914 641 E CB 0.353 29.859 29.700 -0.324 0.000 1.054 641 E HN 0.673 nan 8.360 nan 0.000 0.461 642 Y N 0.448 120.650 120.300 -0.163 0.000 2.319 642 Y HA 0.093 4.643 4.550 0.000 0.000 0.328 642 Y C 1.395 177.143 175.900 -0.254 0.000 1.133 642 Y CA -0.253 57.730 58.100 -0.195 0.000 1.265 642 Y CB 0.978 39.302 38.460 -0.227 0.000 1.218 642 Y HN -0.023 nan 8.280 nan 0.000 0.508 643 L N 1.707 122.787 121.223 -0.238 0.000 2.298 643 L HA 0.020 4.360 4.340 0.000 0.000 0.209 643 L C 0.669 177.087 176.870 -0.752 0.000 1.084 643 L CA 0.930 55.360 54.840 -0.683 0.000 0.816 643 L CB 0.005 41.209 42.059 -1.425 0.000 0.967 643 L HN 0.679 nan 8.230 nan 0.000 0.460 644 F N -0.603 119.367 119.950 0.033 0.000 2.747 644 F HA 0.197 4.724 4.527 0.000 0.000 0.305 644 F C 1.266 177.045 175.800 -0.034 0.000 1.065 644 F CA -0.793 57.196 58.000 -0.018 0.000 1.230 644 F CB 0.362 39.328 39.000 -0.057 0.000 1.027 644 F HN -0.110 nan 8.300 nan 0.000 0.607 645 R N -0.219 120.315 120.500 0.055 0.000 2.674 645 R HA 0.521 4.861 4.340 0.000 0.000 0.266 645 R C -1.113 175.173 176.300 -0.024 0.000 1.016 645 R CA -0.726 55.345 56.100 -0.048 0.000 1.062 645 R CB 0.773 30.941 30.300 -0.220 0.000 1.142 645 R HN 0.045 nan 8.270 nan 0.000 0.517 646 H N -0.157 118.879 119.070 -0.055 0.000 2.483 646 H HA 0.171 4.727 4.556 0.000 0.000 0.338 646 H C -0.167 175.169 175.328 0.013 0.000 1.152 646 H CA -0.321 55.733 56.048 0.010 0.000 1.264 646 H CB 1.412 31.189 29.762 0.024 0.000 1.510 646 H HN 0.748 nan 8.280 nan 0.000 0.530 647 S N 2.172 117.738 115.700 -0.223 0.000 4.053 647 S HA -0.052 4.418 4.470 0.000 0.000 0.184 647 S C 0.203 174.919 174.600 0.192 0.000 1.324 647 S CA -0.104 58.146 58.200 0.084 0.000 0.956 647 S CB -0.865 62.387 63.200 0.087 0.000 1.503 647 S HN 0.732 nan 8.310 nan 0.000 0.440 648 D N 0.557 121.075 120.400 0.197 0.000 2.328 648 D HA 0.012 4.652 4.640 0.000 0.000 0.226 648 D C 0.433 176.792 176.300 0.099 0.000 1.066 648 D CA -0.120 53.981 54.000 0.167 0.000 0.861 648 D CB -0.253 40.627 40.800 0.132 0.000 0.912 648 D HN 0.490 nan 8.370 nan 0.000 0.521 649 N N 0.007 118.765 118.700 0.098 0.000 2.622 649 N HA 0.125 4.865 4.740 0.000 0.000 0.293 649 N C -1.580 173.987 175.510 0.094 0.000 1.788 649 N CA -0.246 52.851 53.050 0.079 0.000 0.860 649 N CB 0.275 38.796 38.487 0.057 0.000 1.388 649 N HN -0.068 nan 8.380 nan 0.000 0.496 650 E N 0.089 120.341 120.200 0.086 0.000 2.246 650 E HA 0.447 4.797 4.350 0.000 0.000 0.266 650 E C -1.574 175.054 176.600 0.048 0.000 0.880 650 E CA -0.598 55.837 56.400 0.057 0.000 0.762 650 E CB 1.956 31.657 29.700 0.003 0.000 1.180 650 E HN 0.076 nan 8.360 nan 0.000 0.416 651 L N 3.428 124.680 121.223 0.049 0.000 2.341 651 L HA 0.541 4.881 4.340 0.000 0.000 0.278 651 L C -1.511 175.422 176.870 0.105 0.000 1.005 651 L CA -0.923 53.973 54.840 0.092 0.000 0.818 651 L CB 1.543 43.672 42.059 0.116 0.000 1.259 651 L HN 0.595 nan 8.230 nan 0.000 0.418 652 L N 5.125 126.455 121.223 0.178 0.000 2.262 652 L HA 0.446 4.786 4.340 0.000 0.000 0.288 652 L C -0.666 176.420 176.870 0.360 0.000 1.035 652 L CA 0.077 55.051 54.840 0.224 0.000 0.820 652 L CB 0.382 42.568 42.059 0.212 0.000 1.204 652 L HN 0.569 nan 8.230 nan 0.000 0.424 653 H N 5.755 124.884 119.070 0.100 0.000 2.467 653 H HA 0.381 4.937 4.556 0.000 0.000 0.326 653 H C -1.097 174.305 175.328 0.123 0.000 1.094 653 H CA -0.704 55.363 56.048 0.033 0.000 1.253 653 H CB 0.965 30.712 29.762 -0.026 0.000 1.439 653 H HN 0.706 nan 8.280 nan 0.000 0.479 654 W N 3.437 124.805 121.300 0.114 0.000 2.929 654 W HA 0.588 5.248 4.660 0.000 0.000 0.345 654 W C -1.406 175.151 176.519 0.064 0.000 1.151 654 W CA -1.439 55.962 57.345 0.094 0.000 1.111 654 W CB 1.576 31.083 29.460 0.078 0.000 1.449 654 W HN 0.605 nan 8.180 nan 0.000 0.572 655 M N 1.192 121.147 119.600 0.590 0.000 2.569 655 M HA 0.529 5.009 4.480 0.000 0.000 0.287 655 M C -2.642 173.904 176.300 0.410 0.000 1.130 655 M CA -0.521 54.988 55.300 0.348 0.000 0.885 655 M CB 1.769 34.374 32.600 0.009 0.000 1.759 655 M HN 0.134 nan 8.290 nan 0.000 0.515 656 V N 2.487 122.618 119.914 0.362 0.000 2.495 656 V HA 1.039 5.159 4.120 0.000 0.000 0.298 656 V C -0.188 176.021 176.094 0.193 0.000 1.031 656 V CA 0.021 62.495 62.300 0.291 0.000 0.871 656 V CB 1.172 33.171 31.823 0.293 0.000 0.988 656 V HN 1.135 nan 8.190 nan 0.000 0.432 657 A N 4.168 127.114 122.820 0.209 0.000 2.539 657 A HA 0.899 5.219 4.320 0.000 0.000 0.296 657 A C -1.648 176.068 177.584 0.221 0.000 1.073 657 A CA -0.614 51.518 52.037 0.158 0.000 0.700 657 A CB 1.831 20.877 19.000 0.078 0.000 1.296 657 A HN 0.842 nan 8.150 nan 0.000 0.405 658 L N 1.254 122.572 121.223 0.159 0.000 2.294 658 L HA 0.580 4.920 4.340 0.000 0.000 0.283 658 L C -0.459 176.517 176.870 0.177 0.000 1.015 658 L CA 0.285 55.233 54.840 0.181 0.000 0.831 658 L CB 0.502 42.630 42.059 0.115 0.000 1.217 658 L HN 0.769 nan 8.230 nan 0.000 0.420 659 D N 4.658 125.234 120.400 0.293 0.000 2.733 659 D HA -0.211 4.429 4.640 0.000 0.000 0.232 659 D C 1.172 177.503 176.300 0.053 0.000 1.161 659 D CA 1.656 55.807 54.000 0.252 0.000 0.653 659 D CB -0.993 39.922 40.800 0.191 0.000 1.052 659 D HN 1.179 nan 8.370 nan 0.000 0.424 660 G N -1.380 107.413 108.800 -0.011 0.000 2.254 660 G HA2 -0.344 3.616 3.960 0.000 0.000 0.225 660 G HA3 -0.344 3.616 3.960 0.000 0.000 0.225 660 G C 0.201 175.031 174.900 -0.117 0.000 1.003 660 G CA 0.240 45.231 45.100 -0.182 0.000 0.622 660 G HN 0.429 nan 8.290 nan 0.000 0.507 661 K N 2.435 122.815 120.400 -0.034 0.000 2.285 661 K HA 0.542 4.862 4.320 0.000 0.000 0.286 661 K C -2.554 174.046 176.600 0.001 0.000 1.072 661 K CA -1.889 54.383 56.287 -0.026 0.000 0.913 661 K CB 1.562 34.059 32.500 -0.005 0.000 1.067 661 K HN 0.131 nan 8.250 nan 0.000 0.479 662 P HA 0.078 nan 4.420 nan 0.000 0.276 662 P C -0.218 177.088 177.300 0.010 0.000 1.243 662 P CA -0.072 63.022 63.100 -0.010 0.000 0.768 662 P CB 0.758 32.428 31.700 -0.051 0.000 0.856 663 L N 1.447 122.697 121.223 0.045 0.000 2.642 663 L HA 0.524 4.864 4.340 0.000 0.000 0.233 663 L C 0.864 177.771 176.870 0.062 0.000 1.077 663 L CA 0.211 55.083 54.840 0.053 0.000 0.879 663 L CB 0.210 42.317 42.059 0.080 0.000 1.151 663 L HN 0.368 nan 8.230 nan 0.000 0.495 664 A N 0.161 123.030 122.820 0.081 0.000 2.594 664 A HA 0.619 4.939 4.320 0.000 0.000 0.296 664 A C -0.803 176.734 177.584 -0.078 0.000 1.056 664 A CA -0.120 51.966 52.037 0.081 0.000 0.693 664 A CB 1.556 20.727 19.000 0.286 0.000 1.278 664 A HN 0.051 nan 8.150 nan 0.000 0.408 665 S N 0.261 115.682 115.700 -0.465 0.000 2.588 665 S HA 0.968 5.438 4.470 0.000 0.000 0.275 665 S C -0.160 173.466 174.600 -1.622 0.000 1.130 665 S CA -0.013 57.548 58.200 -1.064 0.000 0.855 665 S CB 1.611 64.480 63.200 -0.552 0.000 1.116 665 S HN 2.461 nan 8.310 nan 0.000 0.472 666 G N -0.155 107.251 108.800 -2.322 0.000 2.687 666 G HA2 0.671 4.631 3.960 0.000 0.000 0.291 666 G HA3 0.671 4.631 3.960 0.000 0.000 0.291 666 G C -2.020 172.347 174.900 -0.889 0.000 1.420 666 G CA -0.705 43.524 45.100 -1.450 0.000 0.796 666 G HN 0.813 nan 8.290 nan 0.000 0.485 667 E N -1.164 118.887 120.200 -0.248 0.000 2.304 667 E HA 0.570 4.920 4.350 0.000 0.000 0.277 667 E C -1.632 175.039 176.600 0.119 0.000 0.898 667 E CA -0.506 55.836 56.400 -0.096 0.000 0.764 667 E CB 2.903 32.483 29.700 -0.201 0.000 1.216 667 E HN 0.356 nan 8.360 nan 0.000 0.419 668 V N 4.770 124.800 119.914 0.194 0.000 2.777 668 V HA 0.463 4.583 4.120 0.000 0.000 0.306 668 V C -2.486 173.700 176.094 0.153 0.000 1.112 668 V CA -1.681 60.724 62.300 0.174 0.000 0.917 668 V CB 2.169 34.110 31.823 0.198 0.000 1.018 668 V HN 0.576 nan 8.190 nan 0.000 0.426 669 P HA 0.337 nan 4.420 nan 0.000 0.280 669 P C -0.837 176.521 177.300 0.097 0.000 1.244 669 P CA -0.186 62.976 63.100 0.103 0.000 0.784 669 P CB 1.047 32.801 31.700 0.091 0.000 0.913 670 L N 2.834 124.103 121.223 0.077 0.000 2.350 670 L HA 0.352 4.692 4.340 0.000 0.000 0.275 670 L C 0.476 177.405 176.870 0.099 0.000 1.099 670 L CA 0.199 55.074 54.840 0.059 0.000 0.808 670 L CB 0.626 42.668 42.059 -0.029 0.000 1.149 670 L HN 0.361 nan 8.230 nan 0.000 0.442 671 D N 2.308 122.773 120.400 0.108 0.000 2.586 671 D HA 0.382 5.022 4.640 0.000 0.000 0.254 671 D C -1.336 175.007 176.300 0.072 0.000 1.248 671 D CA -0.119 54.004 54.000 0.205 0.000 0.843 671 D CB 0.942 41.879 40.800 0.228 0.000 1.332 671 D HN 0.100 nan 8.370 nan 0.000 0.523 672 V N 0.521 120.303 119.914 -0.221 0.000 2.656 672 V HA 0.930 5.050 4.120 0.000 0.000 0.307 672 V C 0.589 176.379 176.094 -0.507 0.000 1.051 672 V CA -1.337 60.850 62.300 -0.188 0.000 0.893 672 V CB 1.457 33.296 31.823 0.027 0.000 0.999 672 V HN 0.454 nan 8.190 nan 0.000 0.426 673 A N 4.970 127.694 122.820 -0.160 0.000 2.322 673 A HA 0.813 5.133 4.320 0.000 0.000 0.269 673 A C -2.403 175.177 177.584 -0.008 0.000 1.094 673 A CA -1.724 50.294 52.037 -0.031 0.000 0.807 673 A CB -0.038 19.034 19.000 0.120 0.000 1.047 673 A HN 0.724 nan 8.150 nan 0.000 0.487 674 P HA -0.033 nan 4.420 nan 0.000 0.261 674 P C -0.428 176.865 177.300 -0.012 0.000 1.173 674 P CA 0.733 63.844 63.100 0.020 0.000 0.760 674 P CB 0.211 31.909 31.700 -0.003 0.000 0.783 675 Q N -1.225 118.554 119.800 -0.035 0.000 2.406 675 Q HA -0.185 4.155 4.340 0.000 0.000 0.236 675 Q C 0.696 176.685 176.000 -0.018 0.000 0.799 675 Q CA 1.491 57.266 55.803 -0.047 0.000 1.286 675 Q CB -2.472 26.230 28.738 -0.060 0.000 1.615 675 Q HN 0.758 nan 8.270 nan 0.000 0.621 676 G N 0.231 109.032 108.800 0.003 0.000 2.552 676 G HA2 0.594 4.554 3.960 0.000 0.000 0.318 676 G HA3 0.594 4.554 3.960 0.000 0.000 0.318 676 G C -0.513 174.404 174.900 0.028 0.000 1.240 676 G CA -0.688 44.423 45.100 0.019 0.000 1.002 676 G HN -0.027 nan 8.290 nan 0.000 0.493 677 K N -0.408 120.013 120.400 0.035 0.000 2.267 677 K HA 0.468 4.788 4.320 0.000 0.000 0.246 677 K C -0.869 175.765 176.600 0.056 0.000 0.954 677 K CA -0.570 55.743 56.287 0.044 0.000 0.824 677 K CB 2.372 34.893 32.500 0.034 0.000 1.167 677 K HN 0.556 nan 8.250 nan 0.000 0.431 678 Q N 3.171 123.011 119.800 0.068 0.000 2.305 678 Q HA 0.354 4.694 4.340 0.000 0.000 0.271 678 Q C -1.597 174.447 176.000 0.073 0.000 1.046 678 Q CA -0.638 55.208 55.803 0.072 0.000 0.798 678 Q CB 1.353 30.141 28.738 0.082 0.000 1.286 678 Q HN 0.532 nan 8.270 nan 0.000 0.435 679 L N 5.056 126.313 121.223 0.056 0.000 2.289 679 L HA 0.557 4.897 4.340 0.000 0.000 0.285 679 L C -0.337 176.555 176.870 0.036 0.000 1.049 679 L CA -0.762 54.103 54.840 0.041 0.000 0.804 679 L CB 1.186 43.259 42.059 0.022 0.000 1.195 679 L HN 0.627 nan 8.230 nan 0.000 0.428 680 I N 2.810 123.393 120.570 0.022 0.000 2.439 680 I HA 0.249 4.419 4.170 0.000 0.000 0.285 680 I C -0.253 175.830 176.117 -0.056 0.000 1.021 680 I CA -0.700 60.601 61.300 0.002 0.000 1.091 680 I CB 2.105 40.122 38.000 0.027 0.000 1.242 680 I HN 0.492 nan 8.210 nan 0.000 0.439 681 E N 6.509 126.678 120.200 -0.051 0.000 2.223 681 E HA 0.411 4.761 4.350 0.000 0.000 0.282 681 E C -0.665 175.859 176.600 -0.128 0.000 1.046 681 E CA -0.315 56.038 56.400 -0.078 0.000 0.857 681 E CB 1.428 31.101 29.700 -0.043 0.000 1.055 681 E HN 0.475 nan 8.360 nan 0.000 0.409 682 L N 6.005 127.117 121.223 -0.184 0.000 2.325 682 L HA 0.362 4.702 4.340 0.000 0.000 0.279 682 L C -1.918 174.844 176.870 -0.180 0.000 1.054 682 L CA -1.947 52.731 54.840 -0.271 0.000 0.804 682 L CB 1.336 43.152 42.059 -0.405 0.000 1.200 682 L HN 0.239 nan 8.230 nan 0.000 0.436 683 P HA 0.030 nan 4.420 nan 0.000 0.272 683 P C -0.477 176.773 177.300 -0.083 0.000 1.223 683 P CA -0.433 62.625 63.100 -0.071 0.000 0.784 683 P CB 0.509 32.214 31.700 0.008 0.000 0.923 684 E N 1.432 121.606 120.200 -0.043 0.000 2.652 684 E HA -0.043 4.307 4.350 0.000 0.000 0.255 684 E C -0.158 176.426 176.600 -0.027 0.000 0.952 684 E CA 0.619 56.996 56.400 -0.038 0.000 0.947 684 E CB 0.110 29.799 29.700 -0.017 0.000 0.912 684 E HN 0.342 nan 8.360 nan 0.000 0.489 685 L N 6.300 127.497 121.223 -0.044 0.000 2.357 685 L HA 0.314 4.654 4.340 0.000 0.000 0.273 685 L C -1.909 174.962 176.870 0.002 0.000 1.080 685 L CA -2.135 52.691 54.840 -0.023 0.000 0.803 685 L CB 0.679 42.705 42.059 -0.055 0.000 1.174 685 L HN 0.323 nan 8.230 nan 0.000 0.443 686 P HA 0.044 nan 4.420 nan 0.000 0.268 686 P C -0.887 176.427 177.300 0.022 0.000 1.204 686 P CA -0.218 62.902 63.100 0.034 0.000 0.768 686 P CB 0.611 32.345 31.700 0.057 0.000 0.842 687 Q N 2.491 122.301 119.800 0.016 0.000 2.647 687 Q HA 0.247 4.587 4.340 0.000 0.000 0.400 687 Q C -2.033 173.976 176.000 0.015 0.000 0.959 687 Q CA -1.708 54.101 55.803 0.010 0.000 1.079 687 Q CB -0.440 28.299 28.738 0.002 0.000 1.351 687 Q HN 0.401 nan 8.270 nan 0.000 0.411 688 P HA -0.158 nan 4.420 nan 0.000 0.268 688 P C 0.101 177.414 177.300 0.022 0.000 1.171 688 P CA 0.414 63.530 63.100 0.027 0.000 0.761 688 P CB 1.163 32.885 31.700 0.037 0.000 0.786 689 E N 0.542 120.755 120.200 0.022 0.000 2.127 689 E HA 0.007 4.357 4.350 0.000 0.000 0.191 689 E C 0.612 177.226 176.600 0.023 0.000 0.964 689 E CA 0.480 56.891 56.400 0.019 0.000 0.832 689 E CB -0.443 29.268 29.700 0.017 0.000 0.790 689 E HN 0.562 nan 8.360 nan 0.000 0.465 690 S N 1.287 117.004 115.700 0.028 0.000 2.537 690 S HA 0.156 4.626 4.470 0.000 0.000 0.280 690 S C 0.404 175.027 174.600 0.039 0.000 1.335 690 S CA 0.161 58.382 58.200 0.034 0.000 1.025 690 S CB 0.519 63.741 63.200 0.037 0.000 0.836 690 S HN 0.292 nan 8.310 nan 0.000 0.523 691 A N 1.005 123.851 122.820 0.044 0.000 2.302 691 A HA 0.818 5.138 4.320 0.000 0.000 0.285 691 A C 0.810 178.433 177.584 0.065 0.000 1.105 691 A CA 0.177 52.243 52.037 0.049 0.000 0.816 691 A CB 0.223 19.252 19.000 0.049 0.000 1.067 691 A HN 1.772 nan 8.150 nan 0.000 0.489 692 G N -0.034 108.807 108.800 0.068 0.000 2.357 692 G HA2 0.324 4.284 3.960 0.000 0.000 0.289 692 G HA3 0.324 4.284 3.960 0.000 0.000 0.289 692 G C -1.381 173.568 174.900 0.083 0.000 1.302 692 G CA -0.881 44.278 45.100 0.098 0.000 0.936 692 G HN 0.839 nan 8.290 nan 0.000 0.513 693 Q N -0.575 119.311 119.800 0.142 0.000 2.293 693 Q HA 0.615 4.955 4.340 0.000 0.000 0.261 693 Q C -0.919 175.180 176.000 0.165 0.000 0.960 693 Q CA -0.761 55.092 55.803 0.084 0.000 0.882 693 Q CB 2.402 31.241 28.738 0.169 0.000 1.275 693 Q HN 0.463 nan 8.270 nan 0.000 0.445 694 L N 3.627 124.823 121.223 -0.046 0.000 2.272 694 L HA 0.484 4.824 4.340 0.000 0.000 0.289 694 L C -1.790 175.029 176.870 -0.084 0.000 1.032 694 L CA 0.016 54.877 54.840 0.036 0.000 0.810 694 L CB 0.450 42.505 42.059 -0.006 0.000 1.205 694 L HN 0.567 nan 8.230 nan 0.000 0.422 695 W N 5.422 126.793 121.300 0.117 0.000 2.819 695 W HA 0.567 5.227 4.660 0.000 0.000 0.337 695 W C -1.055 175.575 176.519 0.185 0.000 1.077 695 W CA -0.703 56.735 57.345 0.155 0.000 1.226 695 W CB 1.702 31.281 29.460 0.199 0.000 1.419 695 W HN 0.278 nan 8.180 nan 0.000 0.502 696 L N 3.041 124.564 121.223 0.501 0.000 2.295 696 L HA 0.818 5.158 4.340 0.000 0.000 0.285 696 L C -0.366 176.819 176.870 0.525 0.000 1.035 696 L CA 0.144 55.254 54.840 0.449 0.000 0.806 696 L CB 1.316 43.579 42.059 0.339 0.000 1.214 696 L HN 0.372 nan 8.230 nan 0.000 0.426 697 T N 4.788 119.593 114.554 0.419 0.000 2.886 697 T HA 0.662 5.012 4.350 0.000 0.000 0.292 697 T C -0.880 174.007 174.700 0.311 0.000 1.012 697 T CA -0.478 61.819 62.100 0.328 0.000 0.982 697 T CB 1.643 70.637 68.868 0.210 0.000 1.018 697 T HN 0.619 nan 8.240 nan 0.000 0.451 698 V N 1.256 121.306 119.914 0.227 0.000 2.680 698 V HA 0.864 4.984 4.120 0.000 0.000 0.309 698 V C -0.773 175.387 176.094 0.109 0.000 1.052 698 V CA -1.118 61.278 62.300 0.160 0.000 0.908 698 V CB 1.903 33.744 31.823 0.030 0.000 1.001 698 V HN 0.841 nan 8.190 nan 0.000 0.431 699 R N 2.200 122.787 120.500 0.144 0.000 2.771 699 R HA 0.835 5.175 4.340 0.000 0.000 0.274 699 R C -1.715 174.663 176.300 0.131 0.000 0.987 699 R CA -0.835 55.360 56.100 0.157 0.000 0.908 699 R CB 2.759 33.103 30.300 0.074 0.000 1.213 699 R HN 0.657 nan 8.270 nan 0.000 0.468 700 V N 2.868 122.883 119.914 0.169 0.000 2.384 700 V HA 0.433 4.553 4.120 0.000 0.000 0.287 700 V C -0.456 175.671 176.094 0.056 0.000 1.020 700 V CA -0.658 61.710 62.300 0.114 0.000 0.850 700 V CB 1.737 33.645 31.823 0.141 0.000 0.987 700 V HN 0.442 nan 8.190 nan 0.000 0.436 701 V N 4.469 124.365 119.914 -0.030 0.000 2.680 701 V HA 0.479 4.599 4.120 0.000 0.000 0.309 701 V C -0.400 175.707 176.094 0.022 0.000 1.052 701 V CA -0.848 61.421 62.300 -0.053 0.000 0.908 701 V CB 1.988 33.678 31.823 -0.222 0.000 1.001 701 V HN 0.867 nan 8.190 nan 0.000 0.431 702 Q N 4.130 123.969 119.800 0.066 0.000 2.465 702 Q HA 0.277 4.617 4.340 0.000 0.000 0.237 702 Q C -1.838 174.184 176.000 0.035 0.000 1.051 702 Q CA -1.810 54.041 55.803 0.079 0.000 0.874 702 Q CB 1.900 30.713 28.738 0.124 0.000 1.207 702 Q HN 0.493 nan 8.270 nan 0.000 0.508 703 P HA -0.210 nan 4.420 nan 0.000 0.214 703 P C -0.514 176.789 177.300 0.005 0.000 1.163 703 P CA 1.393 64.506 63.100 0.022 0.000 0.889 703 P CB 0.285 32.006 31.700 0.034 0.000 0.790 704 N N -0.854 117.843 118.700 -0.005 0.000 2.492 704 N HA 0.442 5.182 4.740 0.000 0.000 0.289 704 N C -0.273 175.194 175.510 -0.072 0.000 1.133 704 N CA -0.645 52.388 53.050 -0.028 0.000 0.961 704 N CB 0.679 39.153 38.487 -0.022 0.000 1.186 704 N HN 0.015 nan 8.380 nan 0.000 0.493 705 A N 0.413 123.180 122.820 -0.088 0.000 2.346 705 A HA 0.548 4.868 4.320 0.000 0.000 0.252 705 A C 0.554 178.010 177.584 -0.213 0.000 1.089 705 A CA -0.141 51.802 52.037 -0.157 0.000 0.797 705 A CB 0.008 18.934 19.000 -0.123 0.000 1.047 705 A HN 0.735 nan 8.150 nan 0.000 0.494 706 T N -3.530 110.799 114.554 -0.375 0.000 2.773 706 T HA 0.619 4.969 4.350 0.000 0.000 0.278 706 T C 0.897 175.383 174.700 -0.356 0.000 1.011 706 T CA 0.056 61.900 62.100 -0.427 0.000 1.014 706 T CB 1.116 69.446 68.868 -0.897 0.000 1.293 706 T HN 1.365 nan 8.240 nan 0.000 0.554 707 A N -0.166 122.537 122.820 -0.195 0.000 2.121 707 A HA 0.137 4.457 4.320 0.000 0.000 0.218 707 A C 1.485 179.167 177.584 0.163 0.000 1.154 707 A CA 0.890 52.964 52.037 0.062 0.000 0.679 707 A CB -0.827 18.316 19.000 0.239 0.000 0.795 707 A HN 0.905 nan 8.150 nan 0.000 0.458 708 W N -0.973 120.374 121.300 0.077 0.000 2.518 708 W HA 0.430 5.090 4.660 0.000 0.000 0.352 708 W C -0.185 176.293 176.519 -0.068 0.000 0.952 708 W CA 0.405 57.757 57.345 0.012 0.000 1.624 708 W CB -1.169 28.284 29.460 -0.011 0.000 1.135 708 W HN 0.404 nan 8.180 nan 0.000 0.540 709 S N 0.232 115.436 115.700 -0.827 0.000 2.556 709 S HA 0.449 4.919 4.470 0.000 0.000 0.271 709 S C -0.560 173.773 174.600 -0.445 0.000 1.135 709 S CA -0.616 57.134 58.200 -0.751 0.000 0.858 709 S CB 2.815 65.175 63.200 -1.400 0.000 1.114 709 S HN 0.063 nan 8.310 nan 0.000 0.468 710 E N 0.873 120.930 120.200 -0.238 0.000 2.342 710 E HA 0.533 4.883 4.350 0.000 0.000 0.257 710 E C 0.398 176.950 176.600 -0.079 0.000 1.150 710 E CA -0.560 55.774 56.400 -0.111 0.000 0.926 710 E CB 1.136 30.822 29.700 -0.023 0.000 1.074 710 E HN 0.881 nan 8.360 nan 0.000 0.449 711 A N -0.122 122.669 122.820 -0.047 0.000 2.407 711 A HA 0.443 4.763 4.320 0.000 0.000 0.248 711 A C 1.006 178.597 177.584 0.012 0.000 1.082 711 A CA 0.555 52.578 52.037 -0.024 0.000 0.785 711 A CB -0.152 18.837 19.000 -0.019 0.000 1.020 711 A HN 0.745 nan 8.150 nan 0.000 0.489 712 G N 0.332 109.145 108.800 0.022 0.000 2.160 712 G HA2 -0.225 3.735 3.960 0.000 0.000 0.244 712 G HA3 -0.225 3.735 3.960 0.000 0.000 0.244 712 G C 0.065 174.995 174.900 0.050 0.000 1.022 712 G CA 0.713 45.823 45.100 0.017 0.000 0.741 712 G HN 1.676 nan 8.290 nan 0.000 0.508 713 H N 0.088 119.147 119.070 -0.018 0.000 2.652 713 H HA 0.542 5.098 4.556 0.000 0.000 0.349 713 H C 0.442 175.814 175.328 0.073 0.000 1.099 713 H CA -0.684 55.379 56.048 0.026 0.000 1.417 713 H CB 0.372 30.139 29.762 0.009 0.000 1.457 713 H HN 0.047 nan 8.280 nan 0.000 0.568 714 I N 4.586 124.852 120.570 -0.507 0.000 2.325 714 I HA 0.037 4.207 4.170 0.000 0.000 0.291 714 I C 1.072 177.036 176.117 -0.254 0.000 1.019 714 I CA -0.028 61.118 61.300 -0.256 0.000 1.302 714 I CB 0.778 38.703 38.000 -0.126 0.000 1.401 714 I HN 0.839 nan 8.210 nan 0.000 0.485 715 S N 3.798 119.566 115.700 0.113 0.000 2.526 715 S HA 0.663 5.133 4.470 0.000 0.000 0.220 715 S C 0.489 175.344 174.600 0.424 0.000 1.017 715 S CA 0.117 58.514 58.200 0.329 0.000 0.930 715 S CB 0.636 64.140 63.200 0.507 0.000 0.856 715 S HN 0.753 nan 8.310 nan 0.000 0.497 716 A N 0.610 123.716 122.820 0.477 0.000 2.605 716 A HA 0.675 4.995 4.320 0.000 0.000 0.294 716 A C -1.730 176.217 177.584 0.605 0.000 1.062 716 A CA -0.903 51.406 52.037 0.452 0.000 0.682 716 A CB 0.441 19.756 19.000 0.526 0.000 1.278 716 A HN 0.918 nan 8.150 nan 0.000 0.410 717 W N -0.009 121.462 121.300 0.285 0.000 3.005 717 W HA 0.809 5.469 4.660 0.000 0.000 0.343 717 W C -1.184 175.375 176.519 0.067 0.000 1.243 717 W CA -0.643 56.756 57.345 0.091 0.000 1.186 717 W CB 1.202 30.659 29.460 -0.005 0.000 1.453 717 W HN 1.105 nan 8.180 nan 0.000 0.575 718 Q N 1.709 121.567 119.800 0.096 0.000 2.574 718 Q HA 0.302 4.642 4.340 0.000 0.000 0.265 718 Q C -1.562 174.233 176.000 -0.342 0.000 0.975 718 Q CA -0.575 55.102 55.803 -0.210 0.000 0.923 718 Q CB 1.974 30.424 28.738 -0.479 0.000 1.518 718 Q HN 0.674 nan 8.270 nan 0.000 0.401 719 Q N 2.611 122.184 119.800 -0.379 0.000 2.458 719 Q HA 0.758 5.098 4.340 0.000 0.000 0.282 719 Q C -1.223 174.673 176.000 -0.174 0.000 1.106 719 Q CA -0.664 55.065 55.803 -0.124 0.000 0.814 719 Q CB 2.028 30.878 28.738 0.186 0.000 1.425 719 Q HN 0.633 nan 8.270 nan 0.000 0.437 720 W N 1.201 122.704 121.300 0.339 0.000 3.127 720 W HA 0.437 5.097 4.660 0.000 0.000 0.330 720 W C -0.609 175.926 176.519 0.027 0.000 1.187 720 W CA -0.800 56.663 57.345 0.197 0.000 1.198 720 W CB 2.214 31.722 29.460 0.080 0.000 1.408 720 W HN 0.680 nan 8.180 nan 0.000 0.529 721 R N 2.600 122.999 120.500 -0.167 0.000 2.202 721 R HA 0.291 4.631 4.340 0.000 0.000 0.334 721 R C 0.763 176.839 176.300 -0.374 0.000 1.036 721 R CA -0.141 55.451 56.100 -0.847 0.000 0.878 721 R CB 0.612 30.043 30.300 -1.449 0.000 1.067 721 R HN 0.607 nan 8.270 nan 0.000 0.457 722 L N 2.770 123.824 121.223 -0.282 0.000 2.049 722 L HA 0.178 4.518 4.340 0.000 0.000 0.203 722 L C 0.897 177.666 176.870 -0.168 0.000 1.074 722 L CA 1.019 55.766 54.840 -0.156 0.000 0.749 722 L CB -0.163 41.847 42.059 -0.082 0.000 0.907 722 L HN 0.664 nan 8.230 nan 0.000 0.439 723 A N -0.808 121.896 122.820 -0.194 0.000 2.588 723 A HA 0.622 4.942 4.320 0.000 0.000 0.290 723 A C -1.420 176.074 177.584 -0.149 0.000 1.136 723 A CA -0.437 51.514 52.037 -0.142 0.000 0.681 723 A CB 1.854 20.806 19.000 -0.081 0.000 1.282 723 A HN 0.057 nan 8.150 nan 0.000 0.421 724 E N 0.410 120.553 120.200 -0.095 0.000 2.275 724 E HA 0.425 4.775 4.350 0.000 0.000 0.270 724 E C -1.676 174.909 176.600 -0.026 0.000 0.882 724 E CA -0.640 55.721 56.400 -0.064 0.000 0.758 724 E CB 1.272 30.931 29.700 -0.068 0.000 1.195 724 E HN 0.544 nan 8.360 nan 0.000 0.419 725 N N 4.598 123.297 118.700 -0.002 0.000 2.564 725 N HA 0.295 5.035 4.740 0.000 0.000 0.248 725 N C -0.658 174.865 175.510 0.021 0.000 0.986 725 N CA -0.317 52.739 53.050 0.010 0.000 0.921 725 N CB 1.044 39.541 38.487 0.018 0.000 1.136 725 N HN 0.476 nan 8.380 nan 0.000 0.509 726 L N 0.674 121.908 121.223 0.018 0.000 2.456 726 L HA 0.131 4.471 4.340 0.000 0.000 0.272 726 L C 1.199 178.089 176.870 0.033 0.000 1.189 726 L CA 0.111 54.968 54.840 0.028 0.000 0.846 726 L CB 0.544 42.618 42.059 0.025 0.000 1.111 726 L HN 0.331 nan 8.230 nan 0.000 0.475 727 S N 1.396 117.121 115.700 0.042 0.000 2.465 727 S HA 0.278 4.748 4.470 0.000 0.000 0.279 727 S C 0.557 175.180 174.600 0.038 0.000 1.201 727 S CA -0.897 57.328 58.200 0.043 0.000 1.053 727 S CB 0.808 64.039 63.200 0.052 0.000 0.953 727 S HN 0.437 nan 8.310 nan 0.000 0.488 728 V N 2.574 122.507 119.914 0.032 0.000 3.376 728 V HA 0.299 4.419 4.120 0.000 0.000 0.313 728 V C 0.869 176.980 176.094 0.028 0.000 1.393 728 V CA -0.016 62.301 62.300 0.028 0.000 1.125 728 V CB -1.061 30.776 31.823 0.023 0.000 1.037 728 V HN 0.838 nan 8.190 nan 0.000 0.440 729 T N 0.114 114.687 114.554 0.031 0.000 2.902 729 T HA 0.755 5.105 4.350 0.000 0.000 0.280 729 T C -0.515 174.203 174.700 0.029 0.000 0.992 729 T CA -0.495 61.622 62.100 0.029 0.000 1.015 729 T CB 1.905 70.789 68.868 0.028 0.000 1.044 729 T HN 0.210 nan 8.240 nan 0.000 0.520 730 L N 1.814 123.052 121.223 0.025 0.000 2.334 730 L HA 0.599 4.939 4.340 0.000 0.000 0.273 730 L C -1.970 174.912 176.870 0.019 0.000 1.013 730 L CA -2.125 52.728 54.840 0.022 0.000 0.816 730 L CB 0.528 42.597 42.059 0.017 0.000 1.278 730 L HN 0.593 nan 8.230 nan 0.000 0.431 731 P HA 0.336 nan 4.420 nan 0.000 0.271 731 P C -0.717 176.582 177.300 -0.001 0.000 1.216 731 P CA -0.410 62.697 63.100 0.011 0.000 0.771 731 P CB 0.965 32.671 31.700 0.011 0.000 0.864 732 A N 2.649 125.465 122.820 -0.006 0.000 2.332 732 A HA 0.554 4.874 4.320 0.000 0.000 0.258 732 A C 0.573 178.124 177.584 -0.055 0.000 1.087 732 A CA -0.194 51.832 52.037 -0.019 0.000 0.802 732 A CB -0.156 18.838 19.000 -0.009 0.000 1.042 732 A HN 0.738 nan 8.150 nan 0.000 0.489 733 A N 1.180 123.959 122.820 -0.068 0.000 2.520 733 A HA 0.487 4.807 4.320 0.000 0.000 0.235 733 A C 0.788 178.204 177.584 -0.280 0.000 1.065 733 A CA 0.475 52.441 52.037 -0.119 0.000 0.764 733 A CB -0.424 18.531 19.000 -0.076 0.000 1.002 733 A HN 1.512 nan 8.150 nan 0.000 0.502 734 S N 0.720 116.261 115.700 -0.265 0.000 2.608 734 S HA 0.494 4.964 4.470 0.000 0.000 0.291 734 S C 0.232 174.594 174.600 -0.398 0.000 1.146 734 S CA -0.727 57.267 58.200 -0.344 0.000 1.043 734 S CB 0.831 63.949 63.200 -0.136 0.000 1.037 734 S HN 0.668 nan 8.310 nan 0.000 0.520 735 H N 0.200 119.280 119.070 0.017 0.000 2.539 735 H HA 0.557 5.113 4.556 0.000 0.000 0.269 735 H C 0.586 175.921 175.328 0.013 0.000 0.980 735 H CA 0.554 56.610 56.048 0.013 0.000 1.152 735 H CB -0.091 29.677 29.762 0.011 0.000 1.407 735 H HN 0.775 nan 8.280 nan 0.000 0.564 736 A N 0.951 123.803 122.820 0.054 0.000 2.599 736 A HA 0.619 4.939 4.320 0.000 0.000 0.290 736 A C -1.062 176.539 177.584 0.028 0.000 1.101 736 A CA -0.777 51.291 52.037 0.051 0.000 0.674 736 A CB 1.472 20.513 19.000 0.068 0.000 1.277 736 A HN 0.215 nan 8.150 nan 0.000 0.419 737 I N -1.552 119.039 120.570 0.036 0.000 2.865 737 I HA 0.790 4.960 4.170 0.000 0.000 0.302 737 I C -2.875 173.279 176.117 0.062 0.000 1.140 737 I CA -2.582 58.737 61.300 0.032 0.000 1.021 737 I CB 2.403 40.411 38.000 0.013 0.000 1.233 737 I HN 0.392 nan 8.210 nan 0.000 0.427 738 P HA 0.015 nan 4.420 nan 0.000 0.269 738 P C -1.328 176.061 177.300 0.147 0.000 1.211 738 P CA 0.382 63.539 63.100 0.096 0.000 0.781 738 P CB 0.191 31.905 31.700 0.023 0.000 0.877 739 H N 1.899 120.998 119.070 0.048 0.000 2.587 739 H HA 0.370 4.926 4.556 0.000 0.000 0.325 739 H C -1.015 174.340 175.328 0.045 0.000 1.012 739 H CA -1.110 54.960 56.048 0.036 0.000 1.213 739 H CB 0.954 30.739 29.762 0.038 0.000 1.431 739 H HN 0.201 nan 8.280 nan 0.000 0.492 740 L N 5.070 126.169 121.223 -0.206 0.000 2.326 740 L HA 0.316 4.656 4.340 0.000 0.000 0.278 740 L C -0.737 175.926 176.870 -0.346 0.000 1.092 740 L CA 0.277 54.972 54.840 -0.242 0.000 0.810 740 L CB 1.388 43.371 42.059 -0.127 0.000 1.153 740 L HN 0.645 nan 8.230 nan 0.000 0.439 741 T N 3.023 117.465 114.554 -0.187 0.000 2.921 741 T HA 0.427 4.777 4.350 0.000 0.000 0.297 741 T C -0.634 174.114 174.700 0.081 0.000 1.013 741 T CA -0.460 61.586 62.100 -0.091 0.000 0.990 741 T CB 1.390 70.187 68.868 -0.118 0.000 1.023 741 T HN 0.610 nan 8.240 nan 0.000 0.447 742 T N 2.592 117.213 114.554 0.112 0.000 2.821 742 T HA 0.487 4.837 4.350 0.000 0.000 0.307 742 T C 0.605 175.368 174.700 0.104 0.000 1.034 742 T CA -0.478 61.746 62.100 0.208 0.000 0.953 742 T CB 1.028 70.048 68.868 0.252 0.000 0.968 742 T HN 0.636 nan 8.240 nan 0.000 0.462 743 S N 2.160 117.896 115.700 0.059 0.000 2.598 743 S HA 0.251 4.721 4.470 0.000 0.000 0.267 743 S C 1.291 175.870 174.600 -0.036 0.000 1.189 743 S CA -0.333 57.871 58.200 0.006 0.000 1.010 743 S CB 0.995 64.192 63.200 -0.004 0.000 1.084 743 S HN 0.778 nan 8.310 nan 0.000 0.541 744 E N -0.988 119.184 120.200 -0.048 0.000 2.364 744 E HA 0.065 4.415 4.350 0.000 0.000 0.196 744 E C 1.398 177.930 176.600 -0.114 0.000 0.990 744 E CA 0.123 56.483 56.400 -0.067 0.000 0.886 744 E CB -0.015 29.663 29.700 -0.037 0.000 0.866 744 E HN 0.578 nan 8.360 nan 0.000 0.493 745 M N 1.252 120.792 119.600 -0.101 0.000 2.501 745 M HA 0.161 4.641 4.480 0.000 0.000 0.261 745 M C -0.316 175.894 176.300 -0.150 0.000 1.129 745 M CA 0.790 56.031 55.300 -0.097 0.000 1.126 745 M CB -0.257 32.318 32.600 -0.042 0.000 1.359 745 M HN 0.112 nan 8.290 nan 0.000 0.471 746 D N -2.095 118.183 120.400 -0.204 0.000 2.879 746 D HA 0.389 5.029 4.640 0.000 0.000 0.346 746 D C -0.976 175.177 176.300 -0.245 0.000 1.390 746 D CA -0.701 53.142 54.000 -0.262 0.000 0.838 746 D CB 0.635 41.418 40.800 -0.029 0.000 1.416 746 D HN -0.039 nan 8.370 nan 0.000 0.493 750 E N 4.344 124.687 120.200 0.240 0.000 2.277 750 E HA 0.881 5.231 4.350 0.000 0.000 0.266 750 E C -1.681 175.092 176.600 0.288 0.000 0.901 750 E CA -0.834 55.713 56.400 0.245 0.000 0.782 750 E CB 2.923 32.702 29.700 0.130 0.000 1.228 750 E HN 0.554 nan 8.360 nan 0.000 0.424 751 L N 3.801 125.182 121.223 0.264 0.000 2.929 751 L HA 0.461 4.801 4.340 0.000 0.000 0.246 751 L C -0.148 176.803 176.870 0.136 0.000 0.960 751 L CA 0.720 55.696 54.840 0.226 0.000 1.056 751 L CB 0.802 43.047 42.059 0.309 0.000 1.437 751 L HN 0.757 nan 8.230 nan 0.000 0.514 752 G N 3.806 112.655 108.800 0.082 0.000 2.527 752 G HA2 -0.385 3.575 3.960 0.000 0.000 0.268 752 G HA3 -0.385 3.575 3.960 0.000 0.000 0.268 752 G C 0.565 175.465 174.900 0.000 0.000 1.175 752 G CA 0.474 45.597 45.100 0.038 0.000 0.962 752 G HN 1.058 nan 8.290 nan 0.000 0.560 753 N N 1.009 119.694 118.700 -0.025 0.000 2.396 753 N HA 0.005 4.745 4.740 0.000 0.000 0.180 753 N C 0.834 176.283 175.510 -0.103 0.000 1.028 753 N CA 1.451 54.467 53.050 -0.057 0.000 0.893 753 N CB -0.156 38.299 38.487 -0.052 0.000 0.967 753 N HN 0.778 nan 8.380 nan 0.000 0.440 754 K N 0.385 120.704 120.400 -0.135 0.000 2.270 754 K HA 0.316 4.636 4.320 0.000 0.000 0.276 754 K C -0.135 176.247 176.600 -0.362 0.000 1.023 754 K CA -0.075 56.007 56.287 -0.343 0.000 0.955 754 K CB 1.000 33.232 32.500 -0.447 0.000 0.975 754 K HN 0.047 nan 8.250 nan 0.000 0.471 755 R N 1.666 121.828 120.500 -0.564 0.000 2.604 755 R HA 0.355 4.695 4.340 0.000 0.000 0.270 755 R C -1.699 174.470 176.300 -0.219 0.000 1.052 755 R CA -0.647 55.331 56.100 -0.203 0.000 0.902 755 R CB 1.348 31.595 30.300 -0.088 0.000 1.233 755 R HN 0.598 nan 8.270 nan 0.000 0.455 756 W N 3.036 124.442 121.300 0.177 0.000 2.883 756 W HA 0.344 5.004 4.660 0.000 0.000 0.335 756 W C -0.746 175.852 176.519 0.132 0.000 1.083 756 W CA -0.555 56.851 57.345 0.101 0.000 1.233 756 W CB 2.259 31.749 29.460 0.050 0.000 1.412 756 W HN 0.428 nan 8.180 nan 0.000 0.490 757 Q N 2.647 122.581 119.800 0.223 0.000 2.337 757 Q HA 0.481 4.821 4.340 0.000 0.000 0.270 757 Q C -2.021 173.904 176.000 -0.124 0.000 1.043 757 Q CA -0.504 55.411 55.803 0.187 0.000 0.794 757 Q CB 1.808 30.723 28.738 0.294 0.000 1.281 757 Q HN 0.372 nan 8.270 nan 0.000 0.446 758 F N 2.781 122.824 119.950 0.155 0.000 2.426 758 F HA 0.316 4.843 4.527 0.000 0.000 0.348 758 F C 0.624 176.444 175.800 0.035 0.000 1.124 758 F CA -0.814 57.244 58.000 0.096 0.000 1.008 758 F CB 1.380 40.456 39.000 0.126 0.000 1.139 758 F HN 0.518 nan 8.300 nan 0.000 0.452 759 N N 3.478 122.276 118.700 0.164 0.000 2.497 759 N HA 0.076 4.816 4.740 0.000 0.000 0.268 759 N C 0.885 176.395 175.510 0.001 0.000 1.171 759 N CA 0.049 53.141 53.050 0.069 0.000 0.948 759 N CB 0.793 39.331 38.487 0.085 0.000 1.069 759 N HN 0.708 nan 8.380 nan 0.000 0.460 760 R N 1.363 121.785 120.500 -0.130 0.000 2.236 760 R HA -0.029 4.311 4.340 0.000 0.000 0.208 760 R C 1.457 177.681 176.300 -0.127 0.000 1.036 760 R CA 0.962 56.927 56.100 -0.225 0.000 1.001 760 R CB 0.242 30.293 30.300 -0.416 0.000 0.896 760 R HN 0.698 nan 8.270 nan 0.000 0.464 761 Q N -0.481 119.278 119.800 -0.067 0.000 2.373 761 Q HA 0.040 4.380 4.340 0.000 0.000 0.210 761 Q C 1.741 177.724 176.000 -0.028 0.000 0.913 761 Q CA 1.213 56.987 55.803 -0.048 0.000 0.911 761 Q CB 0.240 28.965 28.738 -0.022 0.000 1.040 761 Q HN 0.223 nan 8.270 nan 0.000 0.521 762 S N 0.296 116.005 115.700 0.015 0.000 2.439 762 S HA 0.227 4.697 4.470 0.000 0.000 0.224 762 S C 1.599 176.114 174.600 -0.141 0.000 1.029 762 S CA 0.790 59.029 58.200 0.064 0.000 0.946 762 S CB -0.078 63.285 63.200 0.271 0.000 0.797 762 S HN 0.585 nan 8.310 nan 0.000 0.504 763 G N 0.433 109.165 108.800 -0.113 0.000 2.143 763 G HA2 -0.223 3.737 3.960 0.000 0.000 0.248 763 G HA3 -0.223 3.737 3.960 0.000 0.000 0.248 763 G C -0.106 174.652 174.900 -0.236 0.000 0.991 763 G CA 0.364 45.362 45.100 -0.170 0.000 0.689 763 G HN 0.534 nan 8.290 nan 0.000 0.522 764 F N -1.363 118.772 119.950 0.309 0.000 2.575 764 F HA 0.680 5.207 4.527 0.000 0.000 0.330 764 F C 0.464 176.338 175.800 0.123 0.000 1.056 764 F CA -1.470 56.690 58.000 0.266 0.000 0.964 764 F CB 1.383 40.483 39.000 0.168 0.000 1.258 764 F HN 0.011 nan 8.300 nan 0.000 0.484 765 L N 1.555 122.906 121.223 0.213 0.000 2.456 765 L HA 0.210 4.550 4.340 0.000 0.000 0.277 765 L C 0.559 177.347 176.870 -0.136 0.000 1.124 765 L CA 0.784 55.364 54.840 -0.434 0.000 0.880 765 L CB 0.247 42.065 42.059 -0.401 0.000 1.192 765 L HN 0.635 nan 8.230 nan 0.000 0.463 766 S N 2.659 118.265 115.700 -0.158 0.000 2.456 766 S HA 0.144 4.614 4.470 0.000 0.000 0.224 766 S C 0.344 174.850 174.600 -0.156 0.000 1.035 766 S CA 0.332 58.491 58.200 -0.068 0.000 0.940 766 S CB 0.039 63.240 63.200 0.001 0.000 0.799 766 S HN 0.741 nan 8.310 nan 0.000 0.508 767 Q N -0.154 119.501 119.800 -0.242 0.000 2.633 767 Q HA 0.626 4.966 4.340 0.000 0.000 0.289 767 Q C -1.655 174.038 176.000 -0.512 0.000 0.940 767 Q CA -0.607 54.931 55.803 -0.441 0.000 0.785 767 Q CB 1.351 29.713 28.738 -0.627 0.000 1.467 767 Q HN 0.262 nan 8.270 nan 0.000 0.401 768 M N 0.324 119.480 119.600 -0.739 0.000 2.465 768 M HA 0.782 5.262 4.480 0.000 0.000 0.284 768 M C -1.963 173.919 176.300 -0.696 0.000 1.212 768 M CA -0.288 54.659 55.300 -0.588 0.000 0.910 768 M CB 1.998 34.286 32.600 -0.521 0.000 1.725 768 M HN 0.510 nan 8.290 nan 0.000 0.477 769 W N 3.276 124.350 121.300 -0.376 0.000 2.844 769 W HA 0.694 5.354 4.660 0.000 0.000 0.340 769 W C -1.523 174.790 176.519 -0.345 0.000 1.093 769 W CA -0.898 56.277 57.345 -0.283 0.000 1.212 769 W CB 2.002 31.330 29.460 -0.219 0.000 1.422 769 W HN 0.578 nan 8.180 nan 0.000 0.515 770 I N 2.137 122.713 120.570 0.011 0.000 2.418 770 I HA 0.452 4.622 4.170 0.000 0.000 0.287 770 I C 0.828 176.944 176.117 -0.002 0.000 1.008 770 I CA 0.249 61.506 61.300 -0.071 0.000 1.104 770 I CB 1.271 39.202 38.000 -0.116 0.000 1.264 770 I HN 0.722 nan 8.210 nan 0.000 0.438 771 G N 5.595 114.381 108.800 -0.022 0.000 2.583 771 G HA2 -0.302 3.658 3.960 0.000 0.000 0.292 771 G HA3 -0.302 3.658 3.960 0.000 0.000 0.292 771 G C 0.323 175.244 174.900 0.036 0.000 1.203 771 G CA 0.518 45.612 45.100 -0.011 0.000 0.987 771 G HN 0.787 nan 8.290 nan 0.000 0.554 772 D N 0.747 121.181 120.400 0.058 0.000 2.402 772 D HA 0.231 4.871 4.640 0.000 0.000 0.216 772 D C 0.585 177.025 176.300 0.233 0.000 1.128 772 D CA 0.134 54.202 54.000 0.114 0.000 0.833 772 D CB 0.375 41.198 40.800 0.037 0.000 0.971 772 D HN 0.440 nan 8.370 nan 0.000 0.503 773 K N 0.995 121.502 120.400 0.178 0.000 2.211 773 K HA 0.295 4.615 4.320 0.000 0.000 0.275 773 K C -0.069 176.504 176.600 -0.045 0.000 1.024 773 K CA -0.505 55.826 56.287 0.073 0.000 0.887 773 K CB 1.849 34.349 32.500 -0.001 0.000 1.084 773 K HN -0.155 nan 8.250 nan 0.000 0.463 774 K N 1.812 122.090 120.400 -0.203 0.000 2.258 774 K HA 0.048 4.368 4.320 0.000 0.000 0.264 774 K C 0.758 177.150 176.600 -0.348 0.000 1.007 774 K CA -0.156 55.793 56.287 -0.563 0.000 0.941 774 K CB 0.725 32.943 32.500 -0.469 0.000 0.966 774 K HN 0.434 nan 8.250 nan 0.000 0.480 775 Q N 0.986 120.554 119.800 -0.387 0.000 2.316 775 Q HA 0.213 4.553 4.340 0.000 0.000 0.235 775 Q C -0.135 175.781 176.000 -0.140 0.000 0.863 775 Q CA 0.415 56.114 55.803 -0.174 0.000 0.939 775 Q CB 0.589 29.279 28.738 -0.079 0.000 1.108 775 Q HN 0.465 nan 8.270 nan 0.000 0.522 776 L N 0.750 121.839 121.223 -0.224 0.000 2.362 776 L HA 0.426 4.766 4.340 0.000 0.000 0.271 776 L C 0.839 177.585 176.870 -0.208 0.000 1.002 776 L CA -0.462 54.268 54.840 -0.183 0.000 0.818 776 L CB 1.679 43.636 42.059 -0.170 0.000 1.298 776 L HN -0.119 nan 8.230 nan 0.000 0.420 777 L N -0.544 120.547 121.223 -0.220 0.000 2.513 777 L HA 0.275 4.615 4.340 0.000 0.000 0.222 777 L C 0.429 177.186 176.870 -0.188 0.000 1.096 777 L CA 0.561 55.276 54.840 -0.208 0.000 0.857 777 L CB 0.053 41.974 42.059 -0.229 0.000 1.026 777 L HN 0.577 nan 8.230 nan 0.000 0.469 778 T N 0.605 115.033 114.554 -0.210 0.000 2.912 778 T HA 0.428 4.778 4.350 0.000 0.000 0.299 778 T C -2.655 171.989 174.700 -0.092 0.000 1.052 778 T CA -1.166 60.853 62.100 -0.135 0.000 0.996 778 T CB 2.631 71.396 68.868 -0.171 0.000 1.070 778 T HN -0.225 nan 8.240 nan 0.000 0.465 779 P HA 0.229 nan 4.420 nan 0.000 0.272 779 P C -0.670 176.605 177.300 -0.043 0.000 1.223 779 P CA -0.734 62.348 63.100 -0.031 0.000 0.784 779 P CB 0.445 32.153 31.700 0.012 0.000 0.923 780 L N 3.924 125.159 121.223 0.020 0.000 2.361 780 L HA 0.291 4.631 4.340 0.000 0.000 0.278 780 L C 0.578 177.390 176.870 -0.096 0.000 1.113 780 L CA 0.585 55.458 54.840 0.055 0.000 0.849 780 L CB -0.541 41.661 42.059 0.238 0.000 1.155 780 L HN 0.465 nan 8.230 nan 0.000 0.452 781 R N 2.098 122.485 120.500 -0.187 0.000 2.734 781 R HA 0.488 4.828 4.340 0.000 0.000 0.271 781 R C -1.215 174.963 176.300 -0.203 0.000 1.021 781 R CA -0.969 54.902 56.100 -0.382 0.000 0.893 781 R CB 0.410 30.133 30.300 -0.963 0.000 1.244 781 R HN 0.436 nan 8.270 nan 0.000 0.464 782 D N 0.986 121.311 120.400 -0.125 0.000 2.423 782 D HA 0.094 4.734 4.640 0.000 0.000 0.238 782 D C -0.444 175.494 176.300 -0.604 0.000 1.142 782 D CA 0.453 54.239 54.000 -0.356 0.000 0.884 782 D CB 0.637 41.191 40.800 -0.411 0.000 1.199 782 D HN 0.352 nan 8.370 nan 0.000 0.438 783 Q N 1.139 120.361 119.800 -0.963 0.000 2.271 783 Q HA 0.320 4.660 4.340 0.000 0.000 0.268 783 Q C -1.221 174.050 176.000 -1.214 0.000 1.021 783 Q CA -0.581 54.705 55.803 -0.862 0.000 0.802 783 Q CB 0.794 29.253 28.738 -0.465 0.000 1.282 783 Q HN 0.547 nan 8.270 nan 0.000 0.431 784 F N 0.735 120.343 119.950 -0.570 0.000 2.706 784 F HA 0.198 4.725 4.527 0.000 0.000 0.313 784 F C 0.776 176.192 175.800 -0.641 0.000 1.096 784 F CA -0.124 57.447 58.000 -0.715 0.000 1.219 784 F CB 1.423 39.756 39.000 -1.111 0.000 1.051 784 F HN 0.452 nan 8.300 nan 0.000 0.568 785 T N -0.980 113.315 114.554 -0.432 0.000 2.858 785 T HA 0.764 5.114 4.350 0.000 0.000 0.285 785 T C -0.586 173.888 174.700 -0.377 0.000 1.052 785 T CA -0.983 60.787 62.100 -0.551 0.000 1.009 785 T CB 2.757 71.255 68.868 -0.617 0.000 1.241 785 T HN 0.227 nan 8.240 nan 0.000 0.542 786 R N -0.411 119.903 120.500 -0.310 0.000 2.774 786 R HA 0.751 5.091 4.340 0.000 0.000 0.272 786 R C -1.091 175.275 176.300 0.109 0.000 1.000 786 R CA -1.175 54.871 56.100 -0.089 0.000 0.906 786 R CB 1.503 31.756 30.300 -0.078 0.000 1.227 786 R HN 0.846 nan 8.270 nan 0.000 0.468 787 A N 3.256 126.123 122.820 0.077 0.000 2.444 787 A HA 0.328 4.648 4.320 0.000 0.000 0.287 787 A C -2.060 175.600 177.584 0.125 0.000 1.195 787 A CA -1.457 50.627 52.037 0.079 0.000 0.858 787 A CB -0.457 18.543 19.000 0.000 0.000 1.117 787 A HN 0.519 nan 8.150 nan 0.000 0.521 788 P HA 0.017 nan 4.420 nan 0.000 0.263 788 P C -0.276 177.143 177.300 0.198 0.000 1.168 788 P CA 0.587 63.847 63.100 0.267 0.000 0.759 788 P CB 0.294 32.173 31.700 0.297 0.000 0.782 789 L N 2.396 123.707 121.223 0.147 0.000 2.416 789 L HA 0.226 4.566 4.340 0.000 0.000 0.262 789 L C 1.755 178.649 176.870 0.040 0.000 1.093 789 L CA -0.624 54.242 54.840 0.044 0.000 0.801 789 L CB 0.252 42.272 42.059 -0.066 0.000 1.191 789 L HN 0.311 nan 8.230 nan 0.000 0.459 790 D N 0.581 120.953 120.400 -0.046 0.000 2.116 790 D HA -0.183 4.457 4.640 0.000 0.000 0.193 790 D C 1.586 177.870 176.300 -0.028 0.000 0.998 790 D CA 1.584 55.520 54.000 -0.107 0.000 0.836 790 D CB 0.059 40.754 40.800 -0.176 0.000 0.951 790 D HN 0.503 nan 8.370 nan 0.000 0.449 791 N N 1.185 119.867 118.700 -0.029 0.000 2.149 791 N HA -0.133 4.607 4.740 0.000 0.000 0.188 791 N C 1.230 176.771 175.510 0.051 0.000 1.019 791 N CA 0.867 53.918 53.050 0.002 0.000 0.857 791 N CB -0.329 38.137 38.487 -0.035 0.000 0.997 791 N HN 0.285 nan 8.380 nan 0.000 0.426 792 D N 0.309 120.755 120.400 0.077 0.000 2.224 792 D HA 0.006 4.646 4.640 0.000 0.000 0.205 792 D C 2.001 178.368 176.300 0.112 0.000 0.965 792 D CA 0.380 54.465 54.000 0.141 0.000 0.852 792 D CB 0.022 40.979 40.800 0.262 0.000 0.947 792 D HN 0.333 nan 8.370 nan 0.000 0.494 793 I N 0.475 121.094 120.570 0.082 0.000 2.400 793 I HA -0.007 4.163 4.170 0.000 0.000 0.248 793 I C 1.109 177.239 176.117 0.021 0.000 1.109 793 I CA 0.452 61.782 61.300 0.050 0.000 1.425 793 I CB -0.279 37.731 38.000 0.017 0.000 1.094 793 I HN -0.018 nan 8.210 nan 0.000 0.425 794 G N 2.830 111.652 108.800 0.037 0.000 2.247 794 G HA2 -0.124 3.836 3.960 0.000 0.000 0.260 794 G HA3 -0.124 3.836 3.960 0.000 0.000 0.260 794 G C -0.145 174.790 174.900 0.060 0.000 0.852 794 G CA 0.580 45.719 45.100 0.064 0.000 1.281 794 G HN 0.442 nan 8.290 nan 0.000 0.378 795 V N -1.044 118.902 119.914 0.053 0.000 2.841 795 V HA 0.903 5.023 4.120 0.000 0.000 0.310 795 V C 0.629 176.614 176.094 -0.183 0.000 1.090 795 V CA 0.193 62.463 62.300 -0.051 0.000 0.930 795 V CB 1.743 33.508 31.823 -0.096 0.000 1.014 795 V HN 1.097 nan 8.190 nan 0.000 0.425 796 S N 1.369 116.779 115.700 -0.483 0.000 2.506 796 S HA 0.363 4.833 4.470 0.000 0.000 0.219 796 S C 0.281 174.189 174.600 -1.153 0.000 1.031 796 S CA -0.116 57.302 58.200 -1.304 0.000 0.911 796 S CB -0.080 62.253 63.200 -1.445 0.000 0.812 796 S HN 0.859 nan 8.310 nan 0.000 0.497 797 E N 0.783 120.610 120.200 -0.622 0.000 2.241 797 E HA 0.586 4.936 4.350 0.000 0.000 0.263 797 E C 0.356 176.790 176.600 -0.277 0.000 0.882 797 E CA -0.285 55.852 56.400 -0.439 0.000 0.769 797 E CB 1.860 31.332 29.700 -0.381 0.000 1.185 797 E HN 0.221 nan 8.360 nan 0.000 0.415 798 A N 2.820 125.515 122.820 -0.208 0.000 1.971 798 A HA -0.267 4.053 4.320 0.000 0.000 0.222 798 A C 2.004 179.530 177.584 -0.096 0.000 1.182 798 A CA 2.613 54.582 52.037 -0.114 0.000 0.649 798 A CB -0.802 18.160 19.000 -0.063 0.000 0.818 798 A HN 0.653 nan 8.150 nan 0.000 0.458 799 T N -0.162 114.321 114.554 -0.118 0.000 2.708 799 T HA -0.067 4.283 4.350 0.000 0.000 0.266 799 T C 0.962 175.604 174.700 -0.097 0.000 1.037 799 T CA 1.273 63.313 62.100 -0.100 0.000 1.146 799 T CB -0.193 68.602 68.868 -0.122 0.000 0.865 799 T HN 0.593 nan 8.240 nan 0.000 0.435 800 R N 1.953 122.377 120.500 -0.127 0.000 2.207 800 R HA 0.527 4.867 4.340 0.000 0.000 0.334 800 R C -0.664 175.575 176.300 -0.102 0.000 1.013 800 R CA -0.600 55.431 56.100 -0.115 0.000 0.858 800 R CB 0.513 30.730 30.300 -0.139 0.000 1.094 800 R HN 0.374 nan 8.270 nan 0.000 0.457 801 I N -1.287 119.238 120.570 -0.075 0.000 2.385 801 I HA 0.349 4.519 4.170 0.000 0.000 0.294 801 I C -0.479 175.600 176.117 -0.063 0.000 0.988 801 I CA -0.455 60.808 61.300 -0.062 0.000 1.265 801 I CB 1.464 39.438 38.000 -0.044 0.000 1.388 801 I HN 0.326 nan 8.210 nan 0.000 0.480 802 D N 7.681 128.042 120.400 -0.065 0.000 2.427 802 D HA 0.431 5.071 4.640 0.000 0.000 0.226 802 D C -1.820 174.421 176.300 -0.098 0.000 1.076 802 D CA -2.413 51.541 54.000 -0.078 0.000 0.849 802 D CB 1.714 42.469 40.800 -0.075 0.000 1.052 802 D HN 0.373 nan 8.370 nan 0.000 0.515 803 P HA -0.103 nan 4.420 nan 0.000 0.223 803 P C 0.568 177.769 177.300 -0.166 0.000 1.144 803 P CA 0.732 63.768 63.100 -0.107 0.000 0.783 803 P CB 0.410 32.057 31.700 -0.089 0.000 0.771 804 N N -0.510 118.076 118.700 -0.191 0.000 2.353 804 N HA 0.086 4.826 4.740 0.000 0.000 0.185 804 N C 0.755 176.028 175.510 -0.395 0.000 1.098 804 N CA 0.087 52.965 53.050 -0.288 0.000 0.872 804 N CB -0.055 38.284 38.487 -0.246 0.000 0.970 804 N HN 0.098 nan 8.380 nan 0.000 0.467 805 A N 0.072 122.723 122.820 -0.281 0.000 2.498 805 A HA 0.029 4.349 4.320 0.000 0.000 0.239 805 A C 0.833 178.169 177.584 -0.413 0.000 1.068 805 A CA -0.328 51.543 52.037 -0.276 0.000 0.766 805 A CB 0.028 18.953 19.000 -0.125 0.000 1.003 805 A HN 0.330 nan 8.150 nan 0.000 0.497 806 W N 1.772 122.789 121.300 -0.470 0.000 2.302 806 W HA -0.225 4.435 4.660 0.000 0.000 0.320 806 W C 2.254 178.172 176.519 -1.001 0.000 1.241 806 W CA 1.925 58.687 57.345 -0.971 0.000 1.264 806 W CB -0.458 28.300 29.460 -1.171 0.000 1.154 806 W HN 0.551 nan 8.180 nan 0.000 0.483 807 V N 0.625 120.425 119.914 -0.191 0.000 2.332 807 V HA -0.294 3.826 4.120 0.000 0.000 0.248 807 V C 2.303 178.477 176.094 0.133 0.000 1.055 807 V CA 2.208 64.621 62.300 0.188 0.000 1.038 807 V CB -0.465 31.507 31.823 0.248 0.000 0.651 807 V HN 0.072 nan 8.190 nan 0.000 0.450 808 E N 0.187 120.369 120.200 -0.030 0.000 2.058 808 E HA -0.189 4.161 4.350 0.000 0.000 0.194 808 E C 2.379 178.944 176.600 -0.058 0.000 0.997 808 E CA 1.442 57.819 56.400 -0.037 0.000 0.801 808 E CB -0.370 29.272 29.700 -0.096 0.000 0.746 808 E HN 0.628 nan 8.360 nan 0.000 0.450 809 R N -0.445 119.939 120.500 -0.195 0.000 2.075 809 R HA -0.125 4.215 4.340 0.000 0.000 0.232 809 R C 2.315 178.561 176.300 -0.091 0.000 1.126 809 R CA 1.113 57.083 56.100 -0.217 0.000 0.963 809 R CB -0.434 29.613 30.300 -0.422 0.000 0.858 809 R HN 0.274 nan 8.270 nan 0.000 0.435 810 W N 1.983 123.239 121.300 -0.073 0.000 2.358 810 W HA -0.032 4.628 4.660 0.000 0.000 0.303 810 W C 2.062 178.547 176.519 -0.057 0.000 1.208 810 W CA 0.387 57.596 57.345 -0.228 0.000 1.274 810 W CB -0.577 28.867 29.460 -0.026 0.000 1.138 810 W HN 0.120 nan 8.180 nan 0.000 0.515 811 K N -0.001 120.629 120.400 0.384 0.000 1.985 811 K HA -0.119 4.201 4.320 0.000 0.000 0.210 811 K C 2.200 178.886 176.600 0.144 0.000 1.047 811 K CA 1.739 58.219 56.287 0.322 0.000 0.932 811 K CB -0.650 31.982 32.500 0.220 0.000 0.716 811 K HN -0.025 nan 8.250 nan 0.000 0.439 812 A N 1.198 124.068 122.820 0.082 0.000 2.024 812 A HA -0.139 4.181 4.320 0.000 0.000 0.220 812 A C 2.186 179.781 177.584 0.018 0.000 1.164 812 A CA 1.929 53.991 52.037 0.043 0.000 0.643 812 A CB -0.492 18.515 19.000 0.010 0.000 0.806 812 A HN 0.392 nan 8.150 nan 0.000 0.451 813 A N -2.127 120.687 122.820 -0.011 0.000 2.123 813 A HA 0.395 4.715 4.320 0.000 0.000 0.214 813 A C 1.891 179.408 177.584 -0.112 0.000 1.152 813 A CA 1.306 53.336 52.037 -0.011 0.000 0.728 813 A CB -0.716 18.260 19.000 -0.040 0.000 0.814 813 A HN 1.888 nan 8.150 nan 0.000 0.464 814 G N -1.823 106.855 108.800 -0.204 0.000 2.141 814 G HA2 -0.280 3.680 3.960 0.000 0.000 0.231 814 G HA3 -0.280 3.680 3.960 0.000 0.000 0.231 814 G C 0.611 175.479 174.900 -0.054 0.000 0.984 814 G CA 0.611 45.385 45.100 -0.543 0.000 0.660 814 G HN 0.705 nan 8.290 nan 0.000 0.525 815 H N -1.302 117.721 119.070 -0.078 0.000 2.387 815 H HA -0.112 4.444 4.556 0.000 0.000 0.299 815 H C 2.177 177.458 175.328 -0.079 0.000 1.099 815 H CA 1.649 57.653 56.048 -0.074 0.000 1.315 815 H CB 0.091 29.733 29.762 -0.201 0.000 1.380 815 H HN 0.615 nan 8.280 nan 0.000 0.513 816 Y N 0.738 121.155 120.300 0.196 0.000 2.509 816 Y HA -0.103 4.447 4.550 0.000 0.000 0.293 816 Y C 1.800 177.779 175.900 0.133 0.000 1.133 816 Y CA 0.669 58.849 58.100 0.133 0.000 1.283 816 Y CB 0.414 38.941 38.460 0.113 0.000 1.001 816 Y HN 0.358 nan 8.280 nan 0.000 0.555 817 Q N -0.649 119.310 119.800 0.265 0.000 2.106 817 Q HA 0.464 4.804 4.340 0.000 0.000 0.273 817 Q C -0.290 175.889 176.000 0.298 0.000 0.853 817 Q CA -0.378 55.581 55.803 0.259 0.000 1.118 817 Q CB 0.416 29.299 28.738 0.242 0.000 1.240 817 Q HN 0.127 nan 8.270 nan 0.000 0.445 818 A N 1.155 124.160 122.820 0.309 0.000 2.351 818 A HA 0.375 4.695 4.320 0.000 0.000 0.257 818 A C -0.094 177.753 177.584 0.439 0.000 1.087 818 A CA -0.217 52.050 52.037 0.382 0.000 0.798 818 A CB 0.538 19.762 19.000 0.373 0.000 1.033 818 A HN 0.313 nan 8.150 nan 0.000 0.488 819 E N 0.702 121.099 120.200 0.328 0.000 2.156 819 E HA 0.473 4.823 4.350 0.000 0.000 0.279 819 E C -0.092 176.488 176.600 -0.033 0.000 0.965 819 E CA -0.232 56.276 56.400 0.180 0.000 0.789 819 E CB 1.769 31.541 29.700 0.120 0.000 1.098 819 E HN 0.725 nan 8.360 nan 0.000 0.397 820 A N 2.341 125.007 122.820 -0.256 0.000 2.371 820 A HA 0.603 4.923 4.320 0.000 0.000 0.257 820 A C -0.254 177.155 177.584 -0.291 0.000 1.089 820 A CA -0.119 51.464 52.037 -0.757 0.000 0.794 820 A CB 0.570 19.062 19.000 -0.846 0.000 1.029 820 A HN 0.561 nan 8.150 nan 0.000 0.488 821 A N 1.888 124.540 122.820 -0.280 0.000 2.375 821 A HA 0.559 4.879 4.320 0.000 0.000 0.295 821 A C -0.787 176.709 177.584 -0.146 0.000 1.066 821 A CA -0.551 51.409 52.037 -0.128 0.000 0.722 821 A CB 0.757 19.708 19.000 -0.080 0.000 1.206 821 A HN 1.170 nan 8.150 nan 0.000 0.435 822 L N 3.377 124.496 121.223 -0.174 0.000 2.418 822 L HA 0.285 4.625 4.340 0.000 0.000 0.274 822 L C 0.568 177.302 176.870 -0.227 0.000 1.135 822 L CA 0.027 54.659 54.840 -0.348 0.000 0.870 822 L CB 0.090 41.959 42.059 -0.317 0.000 1.154 822 L HN 0.804 nan 8.230 nan 0.000 0.462 823 L N 3.654 124.735 121.223 -0.237 0.000 2.357 823 L HA 0.225 4.565 4.340 0.000 0.000 0.211 823 L C 0.473 177.275 176.870 -0.112 0.000 1.075 823 L CA 0.185 54.953 54.840 -0.120 0.000 0.830 823 L CB 0.084 42.107 42.059 -0.061 0.000 0.996 823 L HN 0.800 nan 8.230 nan 0.000 0.467 824 Q N -0.656 119.045 119.800 -0.166 0.000 2.617 824 Q HA 0.295 4.635 4.340 0.000 0.000 0.270 824 Q C -1.935 173.999 176.000 -0.111 0.000 0.967 824 Q CA -0.762 54.978 55.803 -0.104 0.000 0.887 824 Q CB 2.281 30.990 28.738 -0.049 0.000 1.516 824 Q HN 0.016 nan 8.270 nan 0.000 0.395 825 C N 2.768 122.043 119.300 -0.041 0.000 2.705 825 C HA 0.893 5.353 4.460 0.000 0.000 0.369 825 C C -1.097 173.957 174.990 0.107 0.000 1.069 825 C CA 0.758 59.790 59.018 0.023 0.000 1.260 825 C CB 0.845 28.595 27.740 0.017 0.000 1.764 825 C HN 0.905 nan 8.230 nan 0.000 0.469 826 T N 2.790 117.373 114.554 0.048 0.000 2.883 826 T HA 0.891 5.241 4.350 0.000 0.000 0.301 826 T C -0.593 173.954 174.700 -0.256 0.000 1.158 826 T CA -0.062 62.022 62.100 -0.026 0.000 1.007 826 T CB 1.805 70.650 68.868 -0.037 0.000 1.186 826 T HN 1.987 nan 8.240 nan 0.000 0.499 827 A N 1.658 124.203 122.820 -0.458 0.000 2.401 827 A HA 0.841 5.161 4.320 0.000 0.000 0.310 827 A C -1.237 176.126 177.584 -0.369 0.000 1.075 827 A CA -0.645 51.013 52.037 -0.633 0.000 0.746 827 A CB 1.451 19.655 19.000 -1.327 0.000 1.277 827 A HN 0.894 nan 8.150 nan 0.000 0.425 828 D N 0.290 120.518 120.400 -0.285 0.000 2.736 828 D HA 0.451 5.091 4.640 0.000 0.000 0.223 828 D C -1.312 174.903 176.300 -0.142 0.000 1.231 828 D CA -0.011 53.884 54.000 -0.174 0.000 0.818 828 D CB 2.436 43.164 40.800 -0.121 0.000 1.587 828 D HN 0.448 nan 8.370 nan 0.000 0.463 829 T N 1.513 116.008 114.554 -0.098 0.000 2.758 829 T HA 0.513 4.863 4.350 0.000 0.000 0.285 829 T C 0.122 174.793 174.700 -0.049 0.000 0.981 829 T CA -0.584 61.475 62.100 -0.069 0.000 0.965 829 T CB 1.091 69.934 68.868 -0.043 0.000 0.927 829 T HN 0.057 nan 8.240 nan 0.000 0.448 830 L N 1.674 122.869 121.223 -0.047 0.000 2.376 830 L HA 0.679 5.019 4.340 0.000 0.000 0.267 830 L C 1.807 178.663 176.870 -0.024 0.000 1.035 830 L CA -0.501 54.318 54.840 -0.034 0.000 0.800 830 L CB 0.111 42.148 42.059 -0.036 0.000 1.290 830 L HN 0.721 nan 8.230 nan 0.000 0.462 831 A N -0.172 122.637 122.820 -0.018 0.000 1.933 831 A HA -0.148 4.172 4.320 0.000 0.000 0.218 831 A C 0.949 178.525 177.584 -0.012 0.000 1.175 831 A CA 2.034 54.064 52.037 -0.012 0.000 0.628 831 A CB -0.707 18.287 19.000 -0.009 0.000 0.814 831 A HN 0.862 nan 8.150 nan 0.000 0.444 832 D N -2.471 117.918 120.400 -0.017 0.000 2.500 832 D HA 0.564 5.204 4.640 0.000 0.000 0.217 832 D C 0.236 176.520 176.300 -0.026 0.000 1.159 832 D CA 0.660 54.649 54.000 -0.019 0.000 0.828 832 D CB 0.501 41.290 40.800 -0.018 0.000 1.039 832 D HN 0.512 nan 8.370 nan 0.000 0.512 833 A N -0.411 122.389 122.820 -0.033 0.000 2.511 833 A HA 0.618 4.938 4.320 0.000 0.000 0.293 833 A C -1.749 175.795 177.584 -0.066 0.000 1.098 833 A CA -0.787 51.219 52.037 -0.051 0.000 0.643 833 A CB 0.763 19.731 19.000 -0.054 0.000 1.302 833 A HN -0.015 nan 8.150 nan 0.000 0.446 834 V N 0.310 120.166 119.914 -0.097 0.000 2.547 834 V HA 0.690 4.810 4.120 0.000 0.000 0.299 834 V C -0.873 175.136 176.094 -0.142 0.000 1.040 834 V CA -0.476 61.748 62.300 -0.127 0.000 0.913 834 V CB 1.357 33.090 31.823 -0.150 0.000 0.992 834 V HN 0.825 nan 8.190 nan 0.000 0.449 835 L N 5.779 126.909 121.223 -0.156 0.000 2.376 835 L HA 0.655 4.995 4.340 0.000 0.000 0.275 835 L C -0.913 175.837 176.870 -0.200 0.000 0.987 835 L CA -0.069 54.688 54.840 -0.139 0.000 0.828 835 L CB 1.416 43.418 42.059 -0.096 0.000 1.249 835 L HN 0.405 nan 8.230 nan 0.000 0.409 836 I N 3.684 124.147 120.570 -0.179 0.000 2.441 836 I HA 0.531 4.701 4.170 0.000 0.000 0.295 836 I C -0.046 176.060 176.117 -0.019 0.000 0.994 836 I CA -0.381 60.774 61.300 -0.242 0.000 1.144 836 I CB 1.722 39.364 38.000 -0.596 0.000 1.314 836 I HN 0.525 nan 8.210 nan 0.000 0.445 837 T N 4.521 119.051 114.554 -0.041 0.000 2.879 837 T HA 0.630 4.980 4.350 0.000 0.000 0.290 837 T C -0.002 174.738 174.700 0.067 0.000 0.993 837 T CA -0.532 61.593 62.100 0.042 0.000 0.975 837 T CB 1.756 70.623 68.868 -0.002 0.000 0.981 837 T HN 0.806 nan 8.240 nan 0.000 0.439 838 T N -0.219 114.419 114.554 0.139 0.000 2.901 838 T HA 0.911 5.261 4.350 0.000 0.000 0.293 838 T C -1.137 173.630 174.700 0.112 0.000 1.084 838 T CA -1.109 61.056 62.100 0.109 0.000 1.008 838 T CB 2.099 71.118 68.868 0.251 0.000 1.170 838 T HN 0.789 nan 8.240 nan 0.000 0.509 839 A N 1.432 124.242 122.820 -0.016 0.000 2.465 839 A HA 0.713 5.033 4.320 0.000 0.000 0.292 839 A C -1.493 176.028 177.584 -0.104 0.000 1.041 839 A CA -0.790 51.286 52.037 0.065 0.000 0.718 839 A CB 0.724 19.750 19.000 0.042 0.000 1.266 839 A HN 0.985 nan 8.150 nan 0.000 0.403 840 H N 0.257 119.391 119.070 0.107 0.000 2.797 840 H HA 0.850 5.406 4.556 0.000 0.000 0.372 840 H C 0.028 175.410 175.328 0.090 0.000 1.168 840 H CA 0.157 56.191 56.048 -0.024 0.000 1.163 840 H CB 2.107 31.729 29.762 -0.234 0.000 1.778 840 H HN 1.015 nan 8.280 nan 0.000 0.551 841 A N 1.334 124.200 122.820 0.076 0.000 2.371 841 A HA 0.469 4.789 4.320 0.000 0.000 0.311 841 A C -1.414 176.239 177.584 0.115 0.000 1.068 841 A CA -0.721 51.437 52.037 0.203 0.000 0.744 841 A CB 1.209 20.281 19.000 0.119 0.000 1.239 841 A HN 0.582 nan 8.150 nan 0.000 0.435 842 W N 2.218 123.608 121.300 0.151 0.000 2.429 842 W HA 0.420 5.080 4.660 0.000 0.000 0.314 842 W C -0.317 176.188 176.519 -0.023 0.000 1.062 842 W CA -0.298 57.117 57.345 0.117 0.000 1.211 842 W CB 1.698 31.270 29.460 0.187 0.000 1.305 842 W HN 0.773 nan 8.180 nan 0.000 0.476 843 Q N 1.858 121.787 119.800 0.214 0.000 2.496 843 Q HA 0.479 4.819 4.340 0.000 0.000 0.286 843 Q C -1.027 175.099 176.000 0.210 0.000 1.103 843 Q CA -0.970 54.913 55.803 0.135 0.000 0.813 843 Q CB 3.500 32.285 28.738 0.079 0.000 1.444 843 Q HN 0.447 nan 8.270 nan 0.000 0.443 844 H N 0.802 119.895 119.070 0.039 0.000 3.240 844 H HA 0.052 4.608 4.556 0.000 0.000 0.329 844 H C -0.968 174.386 175.328 0.042 0.000 1.024 844 H CA 0.029 56.110 56.048 0.056 0.000 1.487 844 H CB 0.961 30.764 29.762 0.068 0.000 1.909 844 H HN 0.864 nan 8.280 nan 0.000 0.465 845 Q N 3.218 122.803 119.800 -0.358 0.000 2.453 845 Q HA -0.236 4.104 4.340 0.000 0.000 0.294 845 Q C 0.944 176.900 176.000 -0.074 0.000 1.295 845 Q CA 1.137 56.795 55.803 -0.241 0.000 0.853 845 Q CB -1.464 27.095 28.738 -0.298 0.000 1.193 845 Q HN 1.171 nan 8.270 nan 0.000 0.461 846 G N -0.191 108.587 108.800 -0.037 0.000 2.205 846 G HA2 -0.378 3.582 3.960 0.000 0.000 0.261 846 G HA3 -0.378 3.582 3.960 0.000 0.000 0.261 846 G C 0.069 174.977 174.900 0.014 0.000 0.980 846 G CA 0.676 45.772 45.100 -0.006 0.000 0.632 846 G HN 0.378 nan 8.290 nan 0.000 0.533 847 K N 1.226 121.644 120.400 0.030 0.000 2.156 847 K HA 0.620 4.940 4.320 0.000 0.000 0.271 847 K C -0.132 176.481 176.600 0.021 0.000 0.995 847 K CA -0.123 56.183 56.287 0.032 0.000 0.890 847 K CB 0.861 33.387 32.500 0.044 0.000 1.073 847 K HN 0.011 nan 8.250 nan 0.000 0.454 848 T N 5.736 120.291 114.554 0.002 0.000 2.728 848 T HA 0.231 4.581 4.350 0.000 0.000 0.296 848 T C 1.095 175.729 174.700 -0.110 0.000 0.940 848 T CA -0.564 61.529 62.100 -0.012 0.000 1.013 848 T CB 0.535 69.419 68.868 0.026 0.000 0.912 848 T HN 0.529 nan 8.240 nan 0.000 0.484 849 L N 1.997 123.038 121.223 -0.304 0.000 2.168 849 L HA 0.354 4.694 4.340 0.000 0.000 0.203 849 L C -0.070 176.312 176.870 -0.814 0.000 1.078 849 L CA 0.864 55.253 54.840 -0.752 0.000 0.780 849 L CB -0.037 41.103 42.059 -1.531 0.000 0.939 849 L HN 0.527 nan 8.230 nan 0.000 0.451 850 F N -1.086 118.815 119.950 -0.082 0.000 2.626 850 F HA 0.593 5.120 4.527 0.000 0.000 0.311 850 F C -0.518 175.378 175.800 0.159 0.000 1.088 850 F CA -0.865 57.053 58.000 -0.137 0.000 0.949 850 F CB 1.980 40.564 39.000 -0.694 0.000 1.322 850 F HN -0.326 nan 8.300 nan 0.000 0.461 851 I N 1.423 122.229 120.570 0.394 0.000 2.466 851 I HA 0.405 4.575 4.170 0.000 0.000 0.289 851 I C -0.887 175.493 176.117 0.440 0.000 1.026 851 I CA -0.573 60.980 61.300 0.421 0.000 1.078 851 I CB 2.227 40.389 38.000 0.271 0.000 1.249 851 I HN 0.569 nan 8.210 nan 0.000 0.429 852 S N 6.717 122.773 115.700 0.594 0.000 2.552 852 S HA 0.605 5.075 4.470 0.000 0.000 0.314 852 S C -0.769 174.084 174.600 0.420 0.000 1.099 852 S CA -0.671 57.848 58.200 0.532 0.000 1.070 852 S CB 0.790 64.421 63.200 0.718 0.000 0.998 852 S HN 0.583 nan 8.310 nan 0.000 0.474 853 R N 3.435 124.104 120.500 0.282 0.000 2.480 853 R HA 0.556 4.896 4.340 0.000 0.000 0.306 853 R C -0.756 175.622 176.300 0.130 0.000 0.958 853 R CA -0.776 55.448 56.100 0.206 0.000 0.861 853 R CB 1.930 32.324 30.300 0.157 0.000 1.171 853 R HN 0.550 nan 8.270 nan 0.000 0.445 854 K N 0.673 121.146 120.400 0.122 0.000 2.433 854 K HA 0.558 4.878 4.320 0.000 0.000 0.252 854 K C -0.728 175.857 176.600 -0.024 0.000 1.015 854 K CA -0.971 55.306 56.287 -0.016 0.000 0.860 854 K CB 2.446 34.889 32.500 -0.095 0.000 1.359 854 K HN 0.623 nan 8.250 nan 0.000 0.452 855 T N -1.415 113.036 114.554 -0.172 0.000 2.952 855 T HA 0.534 4.884 4.350 0.000 0.000 0.305 855 T C -1.455 173.119 174.700 -0.210 0.000 1.064 855 T CA -0.786 61.264 62.100 -0.082 0.000 1.008 855 T CB 0.431 69.282 68.868 -0.028 0.000 1.078 855 T HN 0.408 nan 8.240 nan 0.000 0.459 856 Y N 1.246 121.527 120.300 -0.032 0.000 2.350 856 Y HA 0.704 5.254 4.550 0.000 0.000 0.338 856 Y C 0.391 176.238 175.900 -0.088 0.000 0.961 856 Y CA -1.100 56.989 58.100 -0.019 0.000 1.100 856 Y CB 2.016 40.481 38.460 0.009 0.000 1.179 856 Y HN 0.807 nan 8.280 nan 0.000 0.454 857 R N 4.905 125.453 120.500 0.080 0.000 2.483 857 R HA 0.633 4.973 4.340 0.000 0.000 0.303 857 R C -2.000 174.261 176.300 -0.065 0.000 0.987 857 R CA -0.382 55.710 56.100 -0.013 0.000 0.881 857 R CB 0.835 31.128 30.300 -0.013 0.000 1.177 857 R HN 0.820 nan 8.270 nan 0.000 0.451 858 I N 4.590 125.068 120.570 -0.154 0.000 2.362 858 I HA 0.267 4.437 4.170 0.000 0.000 0.289 858 I C -0.382 175.635 176.117 -0.167 0.000 0.994 858 I CA -0.945 60.203 61.300 -0.254 0.000 1.158 858 I CB 1.609 39.294 38.000 -0.526 0.000 1.315 858 I HN 0.708 nan 8.210 nan 0.000 0.451 859 D N 4.031 124.363 120.400 -0.113 0.000 2.506 859 D HA 0.296 4.936 4.640 0.000 0.000 0.254 859 D C 1.233 177.514 176.300 -0.032 0.000 1.089 859 D CA -0.692 53.272 54.000 -0.059 0.000 1.050 859 D CB 0.960 41.742 40.800 -0.032 0.000 1.221 859 D HN 0.501 nan 8.370 nan 0.000 0.589 860 G N -1.219 107.570 108.800 -0.019 0.000 2.498 860 G HA2 -0.189 3.771 3.960 0.000 0.000 0.219 860 G HA3 -0.189 3.771 3.960 0.000 0.000 0.219 860 G C 1.172 176.076 174.900 0.008 0.000 1.119 860 G CA 1.079 46.177 45.100 -0.004 0.000 0.766 860 G HN 0.557 nan 8.290 nan 0.000 0.552 861 S N -0.861 114.843 115.700 0.007 0.000 2.593 861 S HA 0.371 4.841 4.470 0.000 0.000 0.217 861 S C 1.699 176.339 174.600 0.066 0.000 0.966 861 S CA 0.891 59.105 58.200 0.024 0.000 0.914 861 S CB -0.008 63.202 63.200 0.016 0.000 0.776 861 S HN 1.471 nan 8.310 nan 0.000 0.523 862 G N 0.854 109.706 108.800 0.087 0.000 2.160 862 G HA2 -0.213 3.747 3.960 0.000 0.000 0.244 862 G HA3 -0.213 3.747 3.960 0.000 0.000 0.244 862 G C -0.356 174.647 174.900 0.171 0.000 1.022 862 G CA -0.003 45.212 45.100 0.192 0.000 0.741 862 G HN 0.623 nan 8.290 nan 0.000 0.508 863 Q N -0.786 119.057 119.800 0.072 0.000 2.274 863 Q HA 0.683 5.023 4.340 0.000 0.000 0.260 863 Q C 0.059 176.071 176.000 0.020 0.000 0.974 863 Q CA -0.607 55.245 55.803 0.082 0.000 0.876 863 Q CB 1.995 30.782 28.738 0.081 0.000 1.297 863 Q HN 0.391 nan 8.270 nan 0.000 0.446 864 M N 2.016 121.665 119.600 0.081 0.000 2.114 864 M HA 0.566 5.046 4.480 0.000 0.000 0.332 864 M C -1.515 174.885 176.300 0.167 0.000 1.014 864 M CA -0.512 54.826 55.300 0.064 0.000 0.956 864 M CB 1.105 33.738 32.600 0.056 0.000 1.551 864 M HN 0.756 nan 8.290 nan 0.000 0.427 865 A N 6.972 129.859 122.820 0.111 0.000 2.288 865 A HA 0.772 5.092 4.320 0.000 0.000 0.320 865 A C -0.892 176.732 177.584 0.066 0.000 1.217 865 A CA -0.695 51.405 52.037 0.106 0.000 0.840 865 A CB 0.552 19.594 19.000 0.070 0.000 1.179 865 A HN 0.908 nan 8.150 nan 0.000 0.504 866 I N 1.454 122.046 120.570 0.037 0.000 2.474 866 I HA 0.462 4.632 4.170 0.000 0.000 0.294 866 I C -0.178 175.835 176.117 -0.174 0.000 1.005 866 I CA -0.383 60.846 61.300 -0.119 0.000 1.113 866 I CB 2.378 40.324 38.000 -0.090 0.000 1.289 866 I HN 0.491 nan 8.210 nan 0.000 0.436 867 T N 5.029 119.426 114.554 -0.262 0.000 2.841 867 T HA 0.549 4.899 4.350 0.000 0.000 0.285 867 T C -0.613 173.882 174.700 -0.341 0.000 0.991 867 T CA -0.383 61.564 62.100 -0.256 0.000 0.966 867 T CB 1.865 70.676 68.868 -0.096 0.000 0.962 867 T HN 0.251 nan 8.240 nan 0.000 0.438 868 V N 3.966 123.550 119.914 -0.550 0.000 2.540 868 V HA 0.593 4.713 4.120 0.000 0.000 0.302 868 V C -0.783 175.140 176.094 -0.284 0.000 1.035 868 V CA -0.913 61.088 62.300 -0.497 0.000 0.873 868 V CB 2.114 33.383 31.823 -0.923 0.000 0.992 868 V HN 0.833 nan 8.190 nan 0.000 0.428 869 D N 3.062 123.464 120.400 0.004 0.000 2.686 869 D HA 0.512 5.152 4.640 0.000 0.000 0.249 869 D C -1.122 175.307 176.300 0.216 0.000 1.260 869 D CA -0.120 53.984 54.000 0.173 0.000 0.910 869 D CB 2.788 43.720 40.800 0.221 0.000 1.323 869 D HN 0.275 nan 8.370 nan 0.000 0.561 870 V N 1.888 121.967 119.914 0.275 0.000 2.628 870 V HA 0.368 4.488 4.120 0.000 0.000 0.306 870 V C 0.048 176.291 176.094 0.248 0.000 1.045 870 V CA -0.704 61.765 62.300 0.283 0.000 0.905 870 V CB 2.532 34.546 31.823 0.320 0.000 0.997 870 V HN 0.385 nan 8.190 nan 0.000 0.436 871 E N 1.925 122.259 120.200 0.222 0.000 2.187 871 E HA 0.678 5.028 4.350 0.000 0.000 0.268 871 E C -1.593 175.133 176.600 0.209 0.000 0.896 871 E CA -0.488 56.023 56.400 0.185 0.000 0.766 871 E CB 2.387 32.181 29.700 0.157 0.000 1.142 871 E HN 0.471 nan 8.360 nan 0.000 0.408 872 V N 2.284 122.321 119.914 0.204 0.000 2.487 872 V HA 0.455 4.575 4.120 0.000 0.000 0.298 872 V C -0.062 176.132 176.094 0.167 0.000 1.028 872 V CA -1.009 61.435 62.300 0.241 0.000 0.860 872 V CB 1.604 33.591 31.823 0.274 0.000 0.991 872 V HN 0.845 nan 8.190 nan 0.000 0.427 873 A N 3.220 126.108 122.820 0.114 0.000 2.548 873 A HA 0.295 4.615 4.320 0.000 0.000 0.247 873 A C 1.676 179.338 177.584 0.129 0.000 1.067 873 A CA 0.638 52.725 52.037 0.083 0.000 0.757 873 A CB 0.249 19.265 19.000 0.026 0.000 0.996 873 A HN 1.398 nan 8.150 nan 0.000 0.504 874 S N 1.627 117.395 115.700 0.114 0.000 2.400 874 S HA -0.189 4.281 4.470 0.000 0.000 0.232 874 S C 0.984 175.670 174.600 0.142 0.000 1.025 874 S CA 1.599 59.880 58.200 0.135 0.000 0.993 874 S CB -0.342 62.914 63.200 0.093 0.000 0.808 874 S HN 0.825 nan 8.310 nan 0.000 0.478 875 D N 0.276 120.737 120.400 0.101 0.000 2.325 875 D HA 0.153 4.793 4.640 0.000 0.000 0.225 875 D C 0.507 176.857 176.300 0.084 0.000 1.096 875 D CA 0.017 54.064 54.000 0.078 0.000 0.844 875 D CB -0.329 40.500 40.800 0.049 0.000 0.925 875 D HN 0.332 nan 8.370 nan 0.000 0.513 876 T N 0.753 115.387 114.554 0.133 0.000 2.943 876 T HA 0.449 4.799 4.350 0.000 0.000 0.284 876 T C -2.674 172.160 174.700 0.223 0.000 1.015 876 T CA -2.026 60.179 62.100 0.176 0.000 1.042 876 T CB 1.394 70.381 68.868 0.198 0.000 1.055 876 T HN -0.192 nan 8.240 nan 0.000 0.500 877 P HA 0.193 nan 4.420 nan 0.000 0.271 877 P C -0.640 176.971 177.300 0.518 0.000 1.216 877 P CA -0.235 62.974 63.100 0.183 0.000 0.776 877 P CB 0.149 31.936 31.700 0.146 0.000 0.881 878 H N 2.945 122.360 119.070 0.574 0.000 2.964 878 H HA 0.091 4.647 4.556 0.000 0.000 0.328 878 H C -1.870 173.805 175.328 0.578 0.000 1.030 878 H CA -1.734 54.601 56.048 0.478 0.000 1.445 878 H CB -0.951 29.027 29.762 0.361 0.000 1.449 878 H HN 0.311 nan 8.280 nan 0.000 0.581 879 P HA 0.089 nan 4.420 nan 0.000 0.274 879 P C 0.386 177.608 177.300 -0.130 0.000 1.231 879 P CA -0.335 62.836 63.100 0.118 0.000 0.790 879 P CB 0.839 32.471 31.700 -0.112 0.000 0.951 880 A N 3.089 125.598 122.820 -0.517 0.000 1.969 880 A HA -0.087 4.233 4.320 0.000 0.000 0.218 880 A C 1.069 178.282 177.584 -0.618 0.000 1.169 880 A CA 1.469 53.150 52.037 -0.592 0.000 0.635 880 A CB -0.559 17.897 19.000 -0.908 0.000 0.810 880 A HN 0.765 nan 8.150 nan 0.000 0.445 881 R N -2.938 117.236 120.500 -0.543 0.000 2.752 881 R HA 0.704 5.044 4.340 0.000 0.000 0.277 881 R C -1.888 174.174 176.300 -0.397 0.000 1.024 881 R CA -0.819 54.973 56.100 -0.513 0.000 0.866 881 R CB 0.584 30.515 30.300 -0.614 0.000 1.278 881 R HN 0.026 nan 8.270 nan 0.000 0.473 882 I N 1.060 121.429 120.570 -0.334 0.000 2.540 882 I HA 0.639 4.809 4.170 0.000 0.000 0.280 882 I C -0.473 175.416 176.117 -0.380 0.000 1.083 882 I CA -0.427 60.684 61.300 -0.316 0.000 1.080 882 I CB 1.789 39.677 38.000 -0.186 0.000 1.205 882 I HN 1.008 nan 8.210 nan 0.000 0.459 883 G N 5.770 114.303 108.800 -0.445 0.000 2.578 883 G HA2 0.733 4.693 3.960 0.000 0.000 0.302 883 G HA3 0.733 4.693 3.960 0.000 0.000 0.302 883 G C -1.764 172.963 174.900 -0.288 0.000 1.243 883 G CA -0.534 44.355 45.100 -0.351 0.000 0.843 883 G HN 0.294 nan 8.290 nan 0.000 0.486 884 L N 0.548 121.650 121.223 -0.201 0.000 2.303 884 L HA 0.707 5.047 4.340 0.000 0.000 0.256 884 L C -0.708 176.060 176.870 -0.171 0.000 1.034 884 L CA -1.123 53.617 54.840 -0.166 0.000 0.832 884 L CB 2.605 44.633 42.059 -0.053 0.000 1.403 884 L HN 0.869 nan 8.230 nan 0.000 0.419 885 N N 0.097 118.725 118.700 -0.120 0.000 2.823 885 N HA 0.671 5.411 4.740 0.000 0.000 0.251 885 N C -1.342 174.181 175.510 0.022 0.000 1.392 885 N CA -0.535 52.480 53.050 -0.058 0.000 0.864 885 N CB 2.157 40.622 38.487 -0.037 0.000 1.481 885 N HN 0.898 nan 8.380 nan 0.000 0.508 886 C N -1.636 117.719 119.300 0.092 0.000 3.253 886 C HA 0.578 5.038 4.460 0.000 0.000 0.342 886 C C -1.379 173.537 174.990 -0.123 0.000 1.306 886 C CA -0.833 58.213 59.018 0.047 0.000 1.207 886 C CB 0.939 28.687 27.740 0.013 0.000 1.479 886 C HN 0.882 nan 8.230 nan 0.000 0.469 887 Q N 1.310 120.821 119.800 -0.482 0.000 2.347 887 Q HA 0.684 5.024 4.340 0.000 0.000 0.262 887 Q C -1.045 174.677 176.000 -0.464 0.000 0.980 887 Q CA -0.442 54.805 55.803 -0.927 0.000 0.867 887 Q CB 0.899 28.710 28.738 -1.546 0.000 1.242 887 Q HN 0.747 nan 8.270 nan 0.000 0.453 888 L N 2.610 123.640 121.223 -0.322 0.000 2.375 888 L HA 0.355 4.695 4.340 0.000 0.000 0.271 888 L C 1.184 177.961 176.870 -0.155 0.000 1.107 888 L CA -0.342 54.413 54.840 -0.142 0.000 0.806 888 L CB 0.973 43.044 42.059 0.020 0.000 1.146 888 L HN 0.807 nan 8.230 nan 0.000 0.447 889 A N 2.117 124.870 122.820 -0.111 0.000 1.930 889 A HA -0.140 4.180 4.320 0.000 0.000 0.217 889 A C 1.163 178.712 177.584 -0.059 0.000 1.175 889 A CA 0.878 52.851 52.037 -0.107 0.000 0.627 889 A CB -0.318 18.619 19.000 -0.106 0.000 0.815 889 A HN 0.818 nan 8.150 nan 0.000 0.443 890 Q N -0.529 119.267 119.800 -0.008 0.000 2.368 890 Q HA 0.464 4.804 4.340 0.000 0.000 0.237 890 Q C -1.142 174.876 176.000 0.030 0.000 0.987 890 Q CA 0.094 55.895 55.803 -0.004 0.000 0.896 890 Q CB 0.968 29.714 28.738 0.013 0.000 1.241 890 Q HN 0.151 nan 8.270 nan 0.000 0.485 891 V N 2.313 122.211 119.914 -0.027 0.000 2.612 891 V HA 0.790 4.910 4.120 0.000 0.000 0.301 891 V C -0.833 175.210 176.094 -0.085 0.000 1.059 891 V CA -0.143 62.172 62.300 0.026 0.000 0.886 891 V CB 1.150 32.986 31.823 0.021 0.000 1.007 891 V HN 0.951 nan 8.190 nan 0.000 0.426 892 A N 3.239 125.973 122.820 -0.144 0.000 2.389 892 A HA 0.886 5.206 4.320 0.000 0.000 0.293 892 A C 0.527 178.144 177.584 0.055 0.000 1.186 892 A CA -0.337 51.588 52.037 -0.185 0.000 0.828 892 A CB 1.642 20.328 19.000 -0.524 0.000 1.369 892 A HN 0.735 nan 8.150 nan 0.000 0.446 893 E N -0.237 119.986 120.200 0.038 0.000 2.060 893 E HA 0.072 4.422 4.350 0.000 0.000 0.189 893 E C 0.614 177.299 176.600 0.142 0.000 0.974 893 E CA 0.988 57.438 56.400 0.083 0.000 0.808 893 E CB 0.142 29.869 29.700 0.045 0.000 0.768 893 E HN 0.538 nan 8.360 nan 0.000 0.453 894 R N -0.533 120.060 120.500 0.154 0.000 2.856 894 R HA 0.610 4.950 4.340 0.000 0.000 0.258 894 R C -1.042 175.445 176.300 0.312 0.000 1.066 894 R CA -0.900 55.319 56.100 0.198 0.000 1.045 894 R CB 2.072 32.457 30.300 0.142 0.000 1.178 894 R HN -0.142 nan 8.270 nan 0.000 0.499 895 V N 1.445 121.549 119.914 0.317 0.000 2.623 895 V HA 0.324 4.444 4.120 0.000 0.000 0.304 895 V C -0.711 175.654 176.094 0.452 0.000 1.054 895 V CA -0.968 61.562 62.300 0.382 0.000 0.882 895 V CB 1.921 33.928 31.823 0.307 0.000 1.002 895 V HN 0.741 nan 8.190 nan 0.000 0.424 896 N N 3.966 122.923 118.700 0.428 0.000 2.295 896 N HA 0.571 5.311 4.740 0.000 0.000 0.293 896 N C -1.453 174.335 175.510 0.463 0.000 1.040 896 N CA -0.396 52.879 53.050 0.374 0.000 0.840 896 N CB 3.025 41.621 38.487 0.182 0.000 1.468 896 N HN 0.832 nan 8.380 nan 0.000 0.478 897 W N 3.008 124.370 121.300 0.104 0.000 3.074 897 W HA 0.611 5.271 4.660 0.000 0.000 0.332 897 W C -2.166 174.362 176.519 0.016 0.000 1.253 897 W CA -1.066 56.326 57.345 0.079 0.000 1.180 897 W CB 0.725 30.265 29.460 0.134 0.000 1.445 897 W HN 0.247 nan 8.180 nan 0.000 0.573 898 L N 3.764 125.013 121.223 0.043 0.000 2.324 898 L HA 0.910 5.250 4.340 0.000 0.000 0.274 898 L C -0.050 176.796 176.870 -0.040 0.000 1.012 898 L CA 0.376 55.076 54.840 -0.233 0.000 0.859 898 L CB 0.774 42.743 42.059 -0.149 0.000 1.224 898 L HN 1.026 nan 8.230 nan 0.000 0.429 899 G N 3.663 112.357 108.800 -0.175 0.000 2.393 899 G HA2 0.220 4.180 3.960 0.000 0.000 0.264 899 G HA3 0.220 4.180 3.960 0.000 0.000 0.264 899 G C -1.634 173.431 174.900 0.274 0.000 1.221 899 G CA -0.995 44.219 45.100 0.190 0.000 0.912 899 G HN 0.376 nan 8.290 nan 0.000 0.483 900 L N 1.264 122.721 121.223 0.389 0.000 2.331 900 L HA 0.624 4.964 4.340 0.000 0.000 0.278 900 L C 0.965 177.888 176.870 0.089 0.000 1.106 900 L CA 0.450 55.433 54.840 0.238 0.000 0.824 900 L CB 0.671 42.799 42.059 0.114 0.000 1.142 900 L HN 1.038 nan 8.230 nan 0.000 0.443 901 G N 3.153 111.729 108.800 -0.374 0.000 2.554 901 G HA2 0.400 4.360 3.960 0.000 0.000 0.306 901 G HA3 0.400 4.360 3.960 0.000 0.000 0.306 901 G C -2.768 171.276 174.900 -1.426 0.000 1.320 901 G CA -0.304 44.157 45.100 -1.065 0.000 0.800 901 G HN 0.321 nan 8.290 nan 0.000 0.481 902 P HA 0.148 nan 4.420 nan 0.000 0.259 902 P C 0.403 177.486 177.300 -0.362 0.000 1.233 902 P CA 0.311 62.790 63.100 -1.034 0.000 0.827 902 P CB 0.782 32.043 31.700 -0.731 0.000 1.154 903 Q N 0.622 120.221 119.800 -0.335 0.000 2.318 903 Q HA 0.142 4.482 4.340 0.000 0.000 0.222 903 Q C 0.381 176.258 176.000 -0.206 0.000 1.003 903 Q CA -0.551 55.130 55.803 -0.204 0.000 0.936 903 Q CB 0.694 29.341 28.738 -0.151 0.000 1.204 903 Q HN 0.108 nan 8.270 nan 0.000 0.524 904 E N 1.322 121.415 120.200 -0.178 0.000 2.608 904 E HA -0.128 4.222 4.350 0.000 0.000 0.259 904 E C -1.180 175.339 176.600 -0.135 0.000 0.951 904 E CA 0.292 56.581 56.400 -0.185 0.000 0.945 904 E CB 0.210 29.872 29.700 -0.063 0.000 0.916 904 E HN 0.568 nan 8.360 nan 0.000 0.477 905 N N 2.808 121.348 118.700 -0.266 0.000 2.308 905 N HA 0.318 5.058 4.740 0.000 0.000 0.283 905 N C -1.881 173.389 175.510 -0.400 0.000 1.105 905 N CA -0.685 52.258 53.050 -0.178 0.000 0.840 905 N CB 0.722 39.119 38.487 -0.150 0.000 1.633 905 N HN 0.237 nan 8.380 nan 0.000 0.476 906 Y N 0.076 120.284 120.300 -0.153 0.000 2.598 906 Y HA 0.513 5.063 4.550 0.000 0.000 0.340 906 Y C -1.609 174.221 175.900 -0.116 0.000 1.038 906 Y CA -2.077 55.923 58.100 -0.168 0.000 1.100 906 Y CB 1.720 40.075 38.460 -0.174 0.000 1.281 906 Y HN 0.434 nan 8.280 nan 0.000 0.488 907 P HA -0.187 nan 4.420 nan 0.000 0.216 907 P C 0.413 177.664 177.300 -0.083 0.000 1.154 907 P CA 2.152 65.295 63.100 0.072 0.000 0.865 907 P CB 0.189 32.012 31.700 0.205 0.000 0.789 908 D N -2.147 118.018 120.400 -0.391 0.000 2.358 908 D HA 0.015 4.655 4.640 0.000 0.000 0.224 908 D C 0.568 176.734 176.300 -0.223 0.000 1.123 908 D CA -0.016 53.549 54.000 -0.724 0.000 0.833 908 D CB -0.228 39.773 40.800 -1.331 0.000 0.946 908 D HN 0.128 nan 8.370 nan 0.000 0.505 909 R N 1.009 121.473 120.500 -0.059 0.000 2.837 909 R HA 0.208 4.548 4.340 0.000 0.000 0.245 909 R C -0.806 175.527 176.300 0.056 0.000 1.712 909 R CA -0.208 55.910 56.100 0.030 0.000 1.539 909 R CB 0.076 30.395 30.300 0.032 0.000 1.490 909 R HN 0.111 nan 8.270 nan 0.000 0.667 910 L N -1.059 120.207 121.223 0.070 0.000 3.635 910 L HA 0.303 4.643 4.340 0.000 0.000 0.338 910 L C 1.175 178.106 176.870 0.101 0.000 1.275 910 L CA 0.060 54.938 54.840 0.063 0.000 1.092 910 L CB 0.185 42.264 42.059 0.034 0.000 1.465 910 L HN 0.140 nan 8.230 nan 0.000 0.625 911 T N -2.580 112.062 114.554 0.146 0.000 2.915 911 T HA 0.059 4.409 4.350 0.000 0.000 0.269 911 T C 1.698 176.492 174.700 0.157 0.000 1.071 911 T CA 1.274 63.488 62.100 0.191 0.000 1.132 911 T CB -0.193 68.826 68.868 0.252 0.000 0.878 911 T HN 0.403 nan 8.240 nan 0.000 0.479 912 A N 1.280 124.195 122.820 0.159 0.000 2.119 912 A HA 0.681 5.001 4.320 0.000 0.000 0.216 912 A C 1.658 179.338 177.584 0.160 0.000 1.152 912 A CA 0.495 52.587 52.037 0.091 0.000 0.708 912 A CB -0.878 18.290 19.000 0.280 0.000 0.805 912 A HN 0.820 nan 8.150 nan 0.000 0.460 916 D N 3.073 122.864 120.400 -1.016 0.000 3.145 916 D HA 0.310 4.950 4.640 0.000 0.000 0.345 916 D C -1.539 173.836 176.300 -1.543 0.000 1.391 916 D CA -0.753 52.466 54.000 -1.303 0.000 0.930 916 D CB 2.274 42.255 40.800 -1.365 0.000 1.451 916 D HN 0.622 nan 8.370 nan 0.000 0.555 917 R N 0.562 120.197 120.500 -1.442 0.000 2.255 917 R HA 0.466 4.806 4.340 0.000 0.000 0.326 917 R C -1.373 174.096 176.300 -1.385 0.000 0.986 917 R CA -0.433 54.974 56.100 -1.155 0.000 0.847 917 R CB 0.577 30.480 30.300 -0.661 0.000 1.111 917 R HN 0.233 nan 8.270 nan 0.000 0.452 918 W N 2.619 123.356 121.300 -0.939 0.000 2.689 918 W HA 0.425 5.085 4.660 0.000 0.000 0.340 918 W C -0.515 175.619 176.519 -0.642 0.000 1.060 918 W CA -0.665 56.086 57.345 -0.989 0.000 1.218 918 W CB 1.545 29.928 29.460 -1.795 0.000 1.410 918 W HN 0.313 nan 8.180 nan 0.000 0.528 919 D N 2.610 122.958 120.400 -0.086 0.000 2.736 919 D HA 0.522 5.162 4.640 0.000 0.000 0.243 919 D C -1.285 175.111 176.300 0.160 0.000 1.304 919 D CA -0.129 53.919 54.000 0.080 0.000 0.934 919 D CB 1.217 42.029 40.800 0.021 0.000 1.382 919 D HN 0.401 nan 8.370 nan 0.000 0.571 920 L N 2.531 123.917 121.223 0.272 0.000 2.397 920 L HA 0.569 4.909 4.340 0.000 0.000 0.251 920 L C -2.522 174.472 176.870 0.206 0.000 1.064 920 L CA -2.174 52.802 54.840 0.227 0.000 0.859 920 L CB 2.684 44.909 42.059 0.277 0.000 1.468 920 L HN 0.149 nan 8.230 nan 0.000 0.411 921 P HA 0.143 nan 4.420 nan 0.000 0.284 921 P C 0.491 177.874 177.300 0.140 0.000 1.253 921 P CA -0.476 62.705 63.100 0.135 0.000 0.800 921 P CB 1.206 32.965 31.700 0.098 0.000 0.961 922 L N 3.685 124.997 121.223 0.148 0.000 2.064 922 L HA -0.310 4.030 4.340 0.000 0.000 0.216 922 L C 2.224 179.153 176.870 0.098 0.000 1.077 922 L CA 2.826 57.742 54.840 0.126 0.000 0.766 922 L CB -1.518 40.629 42.059 0.146 0.000 0.890 922 L HN 0.456 nan 8.230 nan 0.000 0.435 923 S N -1.522 114.236 115.700 0.097 0.000 2.374 923 S HA -0.225 4.245 4.470 0.000 0.000 0.227 923 S C 1.653 176.329 174.600 0.127 0.000 1.037 923 S CA 1.349 59.615 58.200 0.110 0.000 1.024 923 S CB -0.928 62.326 63.200 0.090 0.000 0.861 923 S HN 0.543 nan 8.310 nan 0.000 0.456 924 D N 1.263 121.719 120.400 0.093 0.000 2.350 924 D HA 0.060 4.700 4.640 0.000 0.000 0.216 924 D C 1.247 177.569 176.300 0.037 0.000 0.968 924 D CA 0.634 54.671 54.000 0.063 0.000 0.894 924 D CB -0.231 40.609 40.800 0.066 0.000 0.909 924 D HN 0.390 nan 8.370 nan 0.000 0.520 925 M N -0.377 119.256 119.600 0.055 0.000 2.568 925 M HA 0.064 4.544 4.480 0.000 0.000 0.226 925 M C -0.113 176.216 176.300 0.049 0.000 1.148 925 M CA 0.028 55.322 55.300 -0.010 0.000 1.007 925 M CB -0.984 31.601 32.600 -0.024 0.000 1.651 925 M HN -0.023 nan 8.290 nan 0.000 0.488 926 Y N -0.443 119.823 120.300 -0.056 0.000 2.425 926 Y HA 0.475 5.025 4.550 0.000 0.000 0.344 926 Y C -0.854 174.985 175.900 -0.100 0.000 0.969 926 Y CA -0.850 57.223 58.100 -0.044 0.000 1.052 926 Y CB 1.443 39.931 38.460 0.047 0.000 1.215 926 Y HN -0.111 nan 8.280 nan 0.000 0.451 927 T N 8.752 122.801 114.554 -0.843 0.000 2.801 927 T HA 0.273 4.623 4.350 0.000 0.000 0.306 927 T C -2.650 171.225 174.700 -1.375 0.000 1.020 927 T CA -1.512 59.994 62.100 -0.990 0.000 0.948 927 T CB 0.985 69.366 68.868 -0.812 0.000 0.962 927 T HN 0.447 nan 8.240 nan 0.000 0.465 928 P HA 0.082 nan 4.420 nan 0.000 0.238 928 P C -0.584 176.554 177.300 -0.270 0.000 1.714 928 P CA -0.381 62.299 63.100 -0.701 0.000 0.908 928 P CB -0.837 30.601 31.700 -0.437 0.000 1.893 929 Y N -0.400 119.805 120.300 -0.159 0.000 2.717 929 Y HA -0.098 4.452 4.550 0.000 0.000 0.330 929 Y C 2.279 178.218 175.900 0.067 0.000 1.217 929 Y CA -0.403 57.681 58.100 -0.027 0.000 1.506 929 Y CB 0.460 38.859 38.460 -0.101 0.000 1.268 929 Y HN -0.113 nan 8.280 nan 0.000 0.561 930 V N 4.040 124.160 119.914 0.344 0.000 2.278 930 V HA -0.330 3.790 4.120 0.000 0.000 0.251 930 V C 0.629 176.888 176.094 0.274 0.000 1.062 930 V CA 1.610 64.093 62.300 0.306 0.000 1.038 930 V CB -0.535 31.504 31.823 0.359 0.000 0.646 930 V HN 0.608 nan 8.190 nan 0.000 0.447 931 F N 3.480 123.483 119.950 0.087 0.000 2.391 931 F HA 0.496 5.023 4.527 0.000 0.000 0.359 931 F C -2.326 173.492 175.800 0.029 0.000 1.122 931 F CA -3.150 54.855 58.000 0.007 0.000 1.120 931 F CB 0.943 39.853 39.000 -0.151 0.000 1.142 931 F HN 0.002 nan 8.300 nan 0.000 0.483 932 P HA 0.350 nan 4.420 nan 0.000 0.278 932 P C -1.225 175.855 177.300 -0.368 0.000 1.238 932 P CA -0.192 62.715 63.100 -0.320 0.000 0.794 932 P CB 1.695 33.227 31.700 -0.281 0.000 0.955 933 S N -0.231 115.418 115.700 -0.085 0.000 2.683 933 S HA 0.379 4.849 4.470 0.000 0.000 0.269 933 S C -0.838 173.779 174.600 0.028 0.000 1.165 933 S CA -0.913 57.277 58.200 -0.018 0.000 0.840 933 S CB 0.226 63.456 63.200 0.050 0.000 1.169 933 S HN 0.357 nan 8.310 nan 0.000 0.490 934 E N 1.303 121.524 120.200 0.034 0.000 2.652 934 E HA 0.323 4.673 4.350 0.000 0.000 0.255 934 E C -0.086 176.572 176.600 0.096 0.000 0.952 934 E CA 1.092 57.530 56.400 0.063 0.000 0.947 934 E CB -0.493 29.263 29.700 0.092 0.000 0.912 934 E HN 0.788 nan 8.360 nan 0.000 0.489 935 N N 1.587 120.375 118.700 0.148 0.000 3.106 935 N HA 0.523 5.263 4.740 0.000 0.000 0.253 935 N C 0.384 175.959 175.510 0.108 0.000 1.506 935 N CA -0.660 52.520 53.050 0.215 0.000 0.876 935 N CB 0.592 39.207 38.487 0.212 0.000 1.452 935 N HN 0.647 nan 8.380 nan 0.000 0.542 936 G N -1.366 107.458 108.800 0.040 0.000 2.189 936 G HA2 -0.290 3.670 3.960 0.000 0.000 0.267 936 G HA3 -0.290 3.670 3.960 0.000 0.000 0.267 936 G C -0.108 174.559 174.900 -0.389 0.000 0.975 936 G CA 0.558 45.568 45.100 -0.150 0.000 0.644 936 G HN 0.693 nan 8.290 nan 0.000 0.537 937 L N 1.206 122.136 121.223 -0.488 0.000 2.529 937 L HA 0.436 4.776 4.340 0.000 0.000 0.287 937 L C 0.830 177.137 176.870 -0.940 0.000 1.241 937 L CA 0.527 54.834 54.840 -0.888 0.000 0.857 937 L CB 0.366 41.588 42.059 -1.395 0.000 1.113 937 L HN 0.351 nan 8.230 nan 0.000 0.504 938 R N 3.879 123.733 120.500 -1.076 0.000 2.575 938 R HA 0.488 4.828 4.340 0.000 0.000 0.293 938 R C -1.155 174.766 176.300 -0.631 0.000 0.983 938 R CA -0.684 54.898 56.100 -0.862 0.000 0.887 938 R CB 0.778 30.540 30.300 -0.897 0.000 1.184 938 R HN 0.570 nan 8.270 nan 0.000 0.445 939 C N -0.228 118.853 119.300 -0.365 0.000 2.354 939 C HA 0.687 5.147 4.460 0.000 0.000 0.381 939 C C 1.314 176.271 174.990 -0.054 0.000 1.240 939 C CA 0.224 59.117 59.018 -0.208 0.000 2.089 939 C CB 1.100 28.745 27.740 -0.158 0.000 2.234 939 C HN 1.065 nan 8.230 nan 0.000 0.544 940 G N 2.013 110.794 108.800 -0.033 0.000 2.366 940 G HA2 -0.169 3.791 3.960 0.000 0.000 0.299 940 G HA3 -0.169 3.791 3.960 0.000 0.000 0.299 940 G C -0.133 174.821 174.900 0.091 0.000 1.020 940 G CA 0.483 45.612 45.100 0.047 0.000 1.026 940 G HN 0.812 nan 8.290 nan 0.000 0.512 941 T N -0.295 114.180 114.554 -0.131 0.000 2.829 941 T HA 0.543 4.893 4.350 0.000 0.000 0.282 941 T C 1.430 175.807 174.700 -0.540 0.000 0.990 941 T CA -0.604 61.363 62.100 -0.222 0.000 1.028 941 T CB 1.543 70.251 68.868 -0.267 0.000 0.951 941 T HN 0.343 nan 8.240 nan 0.000 0.460 942 R N 1.157 121.567 120.500 -0.151 0.000 2.279 942 R HA 0.267 4.607 4.340 0.000 0.000 0.195 942 R C 0.438 176.798 176.300 0.099 0.000 0.905 942 R CA 0.144 56.227 56.100 -0.029 0.000 1.044 942 R CB 0.909 31.313 30.300 0.173 0.000 1.056 942 R HN 0.614 nan 8.270 nan 0.000 0.535 943 E N 1.016 121.291 120.200 0.125 0.000 2.321 943 E HA 0.283 4.633 4.350 0.000 0.000 0.281 943 E C -2.022 174.746 176.600 0.281 0.000 0.910 943 E CA -0.592 55.958 56.400 0.249 0.000 0.770 943 E CB 1.797 31.607 29.700 0.184 0.000 1.225 943 E HN -0.103 nan 8.360 nan 0.000 0.417 944 L N 4.065 125.508 121.223 0.367 0.000 2.410 944 L HA 0.608 4.948 4.340 0.000 0.000 0.270 944 L C -1.924 175.180 176.870 0.392 0.000 0.983 944 L CA -0.414 54.594 54.840 0.279 0.000 0.822 944 L CB 1.877 43.943 42.059 0.011 0.000 1.285 944 L HN 0.433 nan 8.230 nan 0.000 0.409 945 N N 4.261 123.156 118.700 0.325 0.000 2.399 945 N HA 0.424 5.164 4.740 0.000 0.000 0.284 945 N C -2.037 173.724 175.510 0.419 0.000 1.025 945 N CA -0.206 53.039 53.050 0.325 0.000 0.885 945 N CB 2.025 40.641 38.487 0.214 0.000 1.339 945 N HN 0.620 nan 8.380 nan 0.000 0.487 946 Y N 1.388 121.859 120.300 0.284 0.000 2.323 946 Y HA 0.438 4.988 4.550 0.000 0.000 0.322 946 Y C 0.562 176.602 175.900 0.232 0.000 1.133 946 Y CA 0.179 58.430 58.100 0.253 0.000 1.093 946 Y CB 0.599 39.238 38.460 0.299 0.000 1.203 946 Y HN 0.825 nan 8.280 nan 0.000 0.427 947 G N 6.336 115.047 108.800 -0.148 0.000 2.527 947 G HA2 -0.279 3.681 3.960 0.000 0.000 0.268 947 G HA3 -0.279 3.681 3.960 0.000 0.000 0.268 947 G C -1.884 172.955 174.900 -0.101 0.000 1.175 947 G CA -0.030 44.961 45.100 -0.181 0.000 0.962 947 G HN 0.547 nan 8.290 nan 0.000 0.560 948 P HA 0.145 nan 4.420 nan 0.000 0.241 948 P C 0.458 177.514 177.300 -0.408 0.000 1.191 948 P CA 0.967 63.888 63.100 -0.299 0.000 0.771 948 P CB -0.057 31.389 31.700 -0.424 0.000 0.929 949 H N -0.274 118.748 119.070 -0.080 0.000 2.505 949 H HA 0.527 5.083 4.556 0.000 0.000 0.351 949 H C 0.315 175.422 175.328 -0.368 0.000 1.151 949 H CA -0.123 55.761 56.048 -0.272 0.000 1.339 949 H CB 0.828 30.242 29.762 -0.581 0.000 1.483 949 H HN -0.067 nan 8.280 nan 0.000 0.558 950 Q N 2.159 121.706 119.800 -0.423 0.000 2.284 950 Q HA 0.258 4.598 4.340 0.000 0.000 0.269 950 Q C -1.954 173.804 176.000 -0.403 0.000 1.026 950 Q CA -0.753 54.901 55.803 -0.249 0.000 0.831 950 Q CB 1.753 30.482 28.738 -0.015 0.000 1.322 950 Q HN 0.625 nan 8.270 nan 0.000 0.419 951 W N 3.672 124.977 121.300 0.009 0.000 2.819 951 W HA 0.621 5.281 4.660 0.000 0.000 0.337 951 W C -0.559 176.059 176.519 0.164 0.000 1.077 951 W CA -0.800 56.518 57.345 -0.045 0.000 1.226 951 W CB 2.203 31.448 29.460 -0.357 0.000 1.419 951 W HN 0.651 nan 8.180 nan 0.000 0.502 952 R N 0.973 121.731 120.500 0.430 0.000 2.725 952 R HA 0.877 5.217 4.340 0.000 0.000 0.277 952 R C 0.079 176.664 176.300 0.475 0.000 0.987 952 R CA -0.685 55.683 56.100 0.446 0.000 0.901 952 R CB 2.298 32.770 30.300 0.287 0.000 1.207 952 R HN 0.690 nan 8.270 nan 0.000 0.463 953 G N 0.629 109.743 108.800 0.524 0.000 2.534 953 G HA2 0.041 4.001 3.960 0.000 0.000 0.142 953 G HA3 0.041 4.001 3.960 0.000 0.000 0.142 953 G C -1.703 173.380 174.900 0.304 0.000 1.178 953 G CA -0.398 44.963 45.100 0.436 0.000 1.037 953 G HN 0.512 nan 8.290 nan 0.000 0.474 954 D N 0.486 121.087 120.400 0.336 0.000 2.330 954 D HA 0.586 5.226 4.640 0.000 0.000 0.249 954 D C -0.892 175.453 176.300 0.075 0.000 1.306 954 D CA -0.263 53.781 54.000 0.075 0.000 0.956 954 D CB 0.680 41.529 40.800 0.082 0.000 1.261 954 D HN 0.440 nan 8.370 nan 0.000 0.544 955 F N 0.019 119.967 119.950 -0.003 0.000 2.950 955 F HA 0.619 5.146 4.527 0.000 0.000 0.327 955 F C -1.085 174.682 175.800 -0.055 0.000 1.197 955 F CA -1.012 56.926 58.000 -0.103 0.000 0.954 955 F CB 0.707 39.633 39.000 -0.124 0.000 1.442 955 F HN -0.154 nan 8.300 nan 0.000 0.509 956 Q N 1.353 121.237 119.800 0.141 0.000 2.413 956 Q HA 0.678 5.018 4.340 0.000 0.000 0.276 956 Q C -1.409 174.679 176.000 0.146 0.000 1.099 956 Q CA -0.543 55.258 55.803 -0.005 0.000 0.814 956 Q CB 2.916 31.523 28.738 -0.219 0.000 1.379 956 Q HN 0.923 nan 8.270 nan 0.000 0.436 957 F N -1.146 118.684 119.950 -0.200 0.000 2.779 957 F HA 0.781 5.308 4.527 0.000 0.000 0.316 957 F C -1.803 173.788 175.800 -0.347 0.000 1.164 957 F CA -1.007 56.842 58.000 -0.252 0.000 0.924 957 F CB 1.520 40.391 39.000 -0.215 0.000 1.348 957 F HN 0.629 nan 8.300 nan 0.000 0.467 958 N N 1.065 119.635 118.700 -0.216 0.000 2.494 958 N HA 0.723 5.463 4.740 0.000 0.000 0.270 958 N C -2.165 173.330 175.510 -0.026 0.000 1.285 958 N CA -0.704 52.184 53.050 -0.271 0.000 0.812 958 N CB 2.496 40.814 38.487 -0.282 0.000 1.557 958 N HN 1.156 nan 8.380 nan 0.000 0.487 959 I N 0.249 120.785 120.570 -0.057 0.000 2.685 959 I HA 0.629 4.799 4.170 0.000 0.000 0.289 959 I C -1.379 174.696 176.117 -0.070 0.000 1.292 959 I CA 0.089 61.335 61.300 -0.090 0.000 1.050 959 I CB 1.341 39.229 38.000 -0.187 0.000 1.301 959 I HN 1.089 nan 8.210 nan 0.000 0.425 960 S N 6.422 122.097 115.700 -0.042 0.000 2.714 960 S HA 0.531 5.001 4.470 0.000 0.000 0.280 960 S C -0.437 174.107 174.600 -0.093 0.000 1.200 960 S CA -0.949 57.225 58.200 -0.044 0.000 0.900 960 S CB 1.600 64.844 63.200 0.073 0.000 1.235 960 S HN 0.635 nan 8.310 nan 0.000 0.512 961 R N 0.034 120.306 120.500 -0.380 0.000 2.466 961 R HA 0.300 4.640 4.340 0.000 0.000 0.279 961 R C -1.071 174.882 176.300 -0.579 0.000 0.976 961 R CA 0.166 55.969 56.100 -0.494 0.000 1.081 961 R CB -0.626 29.226 30.300 -0.748 0.000 1.215 961 R HN 0.626 nan 8.270 nan 0.000 0.546 962 Y N 0.162 120.465 120.300 0.005 0.000 2.391 962 Y HA 0.237 4.787 4.550 0.000 0.000 0.341 962 Y C 0.737 176.403 175.900 -0.390 0.000 0.965 962 Y CA -1.178 56.833 58.100 -0.149 0.000 1.067 962 Y CB 1.499 39.814 38.460 -0.241 0.000 1.199 962 Y HN -0.082 nan 8.280 nan 0.000 0.450 963 S N 1.608 117.002 115.700 -0.510 0.000 2.593 963 S HA 0.065 4.535 4.470 0.000 0.000 0.269 963 S C 0.851 175.148 174.600 -0.506 0.000 1.334 963 S CA -0.657 56.901 58.200 -1.070 0.000 1.015 963 S CB 1.144 63.761 63.200 -0.973 0.000 0.912 963 S HN 0.767 nan 8.310 nan 0.000 0.541 964 Q N 0.570 120.068 119.800 -0.503 0.000 2.124 964 Q HA -0.185 4.155 4.340 0.000 0.000 0.202 964 Q C 2.176 178.057 176.000 -0.198 0.000 0.977 964 Q CA 1.638 57.285 55.803 -0.260 0.000 0.850 964 Q CB -0.439 28.182 28.738 -0.195 0.000 0.901 964 Q HN 0.924 nan 8.270 nan 0.000 0.429 965 Q N 0.717 120.375 119.800 -0.237 0.000 2.084 965 Q HA -0.208 4.132 4.340 0.000 0.000 0.202 965 Q C 2.063 177.986 176.000 -0.127 0.000 0.978 965 Q CA 1.298 57.014 55.803 -0.146 0.000 0.844 965 Q CB 0.037 28.707 28.738 -0.114 0.000 0.898 965 Q HN 0.415 nan 8.270 nan 0.000 0.426 966 Q N 0.111 119.820 119.800 -0.152 0.000 2.030 966 Q HA -0.177 4.163 4.340 0.000 0.000 0.204 966 Q C 2.359 178.272 176.000 -0.144 0.000 0.986 966 Q CA 1.487 57.218 55.803 -0.121 0.000 0.843 966 Q CB -0.132 28.530 28.738 -0.127 0.000 0.904 966 Q HN 0.459 nan 8.270 nan 0.000 0.420 967 L N 0.083 121.209 121.223 -0.162 0.000 2.042 967 L HA -0.239 4.101 4.340 0.000 0.000 0.210 967 L C 2.708 179.471 176.870 -0.178 0.000 1.076 967 L CA 1.337 56.071 54.840 -0.178 0.000 0.749 967 L CB -0.411 41.568 42.059 -0.133 0.000 0.893 967 L HN 0.415 nan 8.230 nan 0.000 0.432 968 M N -0.462 119.058 119.600 -0.132 0.000 2.296 968 M HA -0.183 4.297 4.480 0.000 0.000 0.265 968 M C 1.680 177.916 176.300 -0.108 0.000 1.064 968 M CA 1.679 56.913 55.300 -0.110 0.000 1.109 968 M CB 0.091 32.633 32.600 -0.098 0.000 1.396 968 M HN 0.199 nan 8.290 nan 0.000 0.430 969 E N -0.766 119.373 120.200 -0.102 0.000 2.447 969 E HA 0.053 4.403 4.350 0.000 0.000 0.195 969 E C -0.220 176.338 176.600 -0.070 0.000 1.028 969 E CA 0.154 56.512 56.400 -0.069 0.000 0.876 969 E CB 0.470 30.143 29.700 -0.045 0.000 0.885 969 E HN 0.337 nan 8.360 nan 0.000 0.500 970 T N 0.558 115.039 114.554 -0.121 0.000 2.799 970 T HA 0.086 4.436 4.350 0.000 0.000 0.286 970 T C 1.128 175.726 174.700 -0.171 0.000 0.973 970 T CA -0.358 61.669 62.100 -0.122 0.000 1.035 970 T CB 1.618 70.393 68.868 -0.154 0.000 0.932 970 T HN 0.039 nan 8.240 nan 0.000 0.469 971 S N 1.874 117.557 115.700 -0.027 0.000 2.501 971 S HA 0.071 4.541 4.470 0.000 0.000 0.220 971 S C 0.275 174.907 174.600 0.054 0.000 0.997 971 S CA 0.253 58.482 58.200 0.049 0.000 0.919 971 S CB -0.198 63.199 63.200 0.327 0.000 0.778 971 S HN 0.744 nan 8.310 nan 0.000 0.523 972 H N 0.384 119.442 119.070 -0.019 0.000 2.806 972 H HA 0.512 5.068 4.556 0.000 0.000 0.367 972 H C 0.939 176.266 175.328 -0.002 0.000 1.136 972 H CA -0.739 55.377 56.048 0.114 0.000 1.178 972 H CB 1.510 31.411 29.762 0.232 0.000 1.718 972 H HN 0.108 nan 8.280 nan 0.000 0.540 973 R N 1.413 122.051 120.500 0.231 0.000 2.117 973 R HA -0.219 4.121 4.340 0.000 0.000 0.243 973 R C 1.405 177.743 176.300 0.065 0.000 1.143 973 R CA 2.130 58.295 56.100 0.109 0.000 0.968 973 R CB -0.631 29.748 30.300 0.131 0.000 0.863 973 R HN 0.785 nan 8.270 nan 0.000 0.444 974 H N 1.594 120.678 119.070 0.023 0.000 2.489 974 H HA -0.021 4.535 4.556 0.000 0.000 0.293 974 H C 1.622 176.883 175.328 -0.111 0.000 1.066 974 H CA 1.158 57.172 56.048 -0.058 0.000 1.305 974 H CB -0.283 29.424 29.762 -0.093 0.000 1.386 974 H HN 0.342 nan 8.280 nan 0.000 0.551 975 L N 0.848 121.678 121.223 -0.654 0.000 2.599 975 L HA 0.192 4.532 4.340 0.000 0.000 0.230 975 L C 0.525 177.304 176.870 -0.152 0.000 1.141 975 L CA -0.077 54.500 54.840 -0.437 0.000 0.877 975 L CB -0.116 41.686 42.059 -0.430 0.000 1.009 975 L HN 0.036 nan 8.230 nan 0.000 0.447 976 L N 0.339 121.467 121.223 -0.159 0.000 2.399 976 L HA 0.324 4.664 4.340 0.000 0.000 0.266 976 L C 0.109 176.999 176.870 0.033 0.000 1.114 976 L CA -0.460 54.283 54.840 -0.162 0.000 0.804 976 L CB 0.688 42.459 42.059 -0.481 0.000 1.146 976 L HN 0.124 nan 8.230 nan 0.000 0.451 977 H N 0.584 119.738 119.070 0.141 0.000 2.806 977 H HA 0.640 5.196 4.556 0.000 0.000 0.367 977 H C -0.849 174.583 175.328 0.173 0.000 1.136 977 H CA -1.226 54.909 56.048 0.145 0.000 1.178 977 H CB 1.301 31.086 29.762 0.039 0.000 1.718 977 H HN 0.714 nan 8.280 nan 0.000 0.540 978 A N 2.837 125.689 122.820 0.055 0.000 2.531 978 A HA 0.095 4.415 4.320 0.000 0.000 0.236 978 A C 0.368 177.921 177.584 -0.052 0.000 1.062 978 A CA -0.070 51.822 52.037 -0.241 0.000 0.760 978 A CB -0.009 18.859 19.000 -0.219 0.000 0.995 978 A HN 0.814 nan 8.150 nan 0.000 0.501 979 E N 0.498 120.622 120.200 -0.127 0.000 2.292 979 E HA 0.131 4.481 4.350 0.000 0.000 0.258 979 E C 0.709 177.298 176.600 -0.019 0.000 1.115 979 E CA -0.699 55.728 56.400 0.044 0.000 0.929 979 E CB 0.658 30.481 29.700 0.204 0.000 1.161 979 E HN 0.826 nan 8.360 nan 0.000 0.453 980 E N 0.277 120.470 120.200 -0.012 0.000 2.065 980 E HA -0.217 4.133 4.350 0.000 0.000 0.201 980 E C 0.922 177.454 176.600 -0.114 0.000 1.016 980 E CA 1.767 58.129 56.400 -0.063 0.000 0.818 980 E CB 0.016 29.683 29.700 -0.054 0.000 0.749 980 E HN 0.571 nan 8.360 nan 0.000 0.453 981 G N -1.407 107.274 108.800 -0.198 0.000 3.387 981 G HA2 0.249 4.209 3.960 0.000 0.000 0.194 981 G HA3 0.249 4.209 3.960 0.000 0.000 0.194 981 G C -0.643 174.152 174.900 -0.174 0.000 1.417 981 G CA -0.074 44.921 45.100 -0.175 0.000 0.777 981 G HN 0.120 nan 8.290 nan 0.000 0.721 982 T N 0.411 114.852 114.554 -0.189 0.000 2.841 982 T HA 0.397 4.747 4.350 0.000 0.000 0.285 982 T C -1.583 172.970 174.700 -0.246 0.000 0.991 982 T CA -0.120 61.900 62.100 -0.134 0.000 0.966 982 T CB 1.652 70.546 68.868 0.044 0.000 0.962 982 T HN 0.322 nan 8.240 nan 0.000 0.438 983 W N 3.002 124.215 121.300 -0.145 0.000 2.351 983 W HA 0.636 5.296 4.660 0.000 0.000 0.311 983 W C -0.414 175.988 176.519 -0.194 0.000 1.168 983 W CA -0.740 56.517 57.345 -0.146 0.000 1.200 983 W CB 0.917 30.301 29.460 -0.126 0.000 1.221 983 W HN 0.338 nan 8.180 nan 0.000 0.519 984 L N 5.494 126.781 121.223 0.106 0.000 2.381 984 L HA 0.485 4.825 4.340 0.000 0.000 0.274 984 L C -1.069 175.735 176.870 -0.110 0.000 0.988 984 L CA -0.532 54.238 54.840 -0.117 0.000 0.824 984 L CB 1.019 42.878 42.059 -0.333 0.000 1.263 984 L HN 0.329 nan 8.230 nan 0.000 0.410 985 N N 6.913 125.529 118.700 -0.139 0.000 2.443 985 N HA 0.497 5.237 4.740 0.000 0.000 0.269 985 N C -1.213 174.181 175.510 -0.193 0.000 0.985 985 N CA -0.294 52.664 53.050 -0.154 0.000 0.921 985 N CB 2.310 40.726 38.487 -0.118 0.000 1.195 985 N HN 0.502 nan 8.380 nan 0.000 0.492 986 I N 1.688 122.099 120.570 -0.265 0.000 2.382 986 I HA 0.261 4.431 4.170 0.000 0.000 0.285 986 I C -0.657 175.297 176.117 -0.271 0.000 1.007 986 I CA -0.615 60.499 61.300 -0.309 0.000 1.142 986 I CB 1.604 39.284 38.000 -0.533 0.000 1.289 986 I HN 0.140 nan 8.210 nan 0.000 0.453 987 D N 4.605 124.877 120.400 -0.215 0.000 2.217 987 D HA 0.307 4.947 4.640 0.000 0.000 0.243 987 D C 1.021 177.052 176.300 -0.447 0.000 1.054 987 D CA -0.192 53.630 54.000 -0.298 0.000 0.838 987 D CB 2.553 43.270 40.800 -0.138 0.000 1.162 987 D HN 0.709 nan 8.370 nan 0.000 0.472 988 G N 1.249 109.509 108.800 -0.900 0.000 2.430 988 G HA2 0.036 3.996 3.960 0.000 0.000 0.216 988 G HA3 0.036 3.996 3.960 0.000 0.000 0.216 988 G C 0.063 174.104 174.900 -1.433 0.000 1.146 988 G CA 0.489 44.775 45.100 -1.357 0.000 0.793 988 G HN 0.386 nan 8.290 nan 0.000 0.537 989 F N -1.808 117.934 119.950 -0.345 0.000 2.654 989 F HA 0.544 5.071 4.527 0.000 0.000 0.308 989 F C -0.696 175.007 175.800 -0.161 0.000 1.108 989 F CA -1.215 56.665 58.000 -0.200 0.000 0.957 989 F CB 1.977 40.799 39.000 -0.296 0.000 1.309 989 F HN -0.074 nan 8.300 nan 0.000 0.446 990 H N 2.545 121.633 119.070 0.029 0.000 2.954 990 H HA 0.388 4.944 4.556 0.000 0.000 0.361 990 H C -1.125 174.228 175.328 0.041 0.000 1.122 990 H CA -0.745 55.289 56.048 -0.022 0.000 1.217 990 H CB 2.394 32.123 29.762 -0.056 0.000 1.776 990 H HN 0.864 nan 8.280 nan 0.000 0.533 991 M N 2.765 122.327 119.600 -0.063 0.000 2.250 991 M HA 0.249 4.729 4.480 0.000 0.000 0.325 991 M C 0.555 176.975 176.300 0.201 0.000 1.084 991 M CA 0.478 55.805 55.300 0.044 0.000 1.161 991 M CB 0.354 32.876 32.600 -0.131 0.000 1.481 991 M HN 0.728 nan 8.290 nan 0.000 0.449 992 G N 2.896 111.788 108.800 0.154 0.000 2.684 992 G HA2 0.325 4.285 3.960 0.000 0.000 0.255 992 G HA3 0.325 4.285 3.960 0.000 0.000 0.255 992 G C 0.549 175.428 174.900 -0.036 0.000 1.219 992 G CA -0.286 44.832 45.100 0.029 0.000 0.901 992 G HN 0.993 nan 8.290 nan 0.000 0.548 993 I N -2.466 118.030 120.570 -0.122 0.000 3.939 993 I HA 0.443 4.613 4.170 0.000 0.000 0.313 993 I C 1.137 177.182 176.117 -0.119 0.000 1.274 993 I CA 0.504 61.705 61.300 -0.165 0.000 1.301 993 I CB -0.361 37.452 38.000 -0.312 0.000 1.105 993 I HN 0.963 nan 8.210 nan 0.000 0.427 994 G N 1.670 110.416 108.800 -0.090 0.000 2.645 994 G HA2 0.038 3.998 3.960 0.000 0.000 0.239 994 G HA3 0.038 3.998 3.960 0.000 0.000 0.239 994 G C 0.570 175.457 174.900 -0.022 0.000 1.331 994 G CA 0.122 45.206 45.100 -0.026 0.000 0.890 994 G HN 1.411 nan 8.290 nan 0.000 0.572 995 G N -2.287 106.512 108.800 -0.001 0.000 2.559 995 G HA2 0.045 4.005 3.960 0.000 0.000 0.202 995 G HA3 0.045 4.005 3.960 0.000 0.000 0.202 995 G C 0.586 175.515 174.900 0.048 0.000 0.992 995 G CA 0.917 46.022 45.100 0.008 0.000 0.764 995 G HN 0.969 nan 8.290 nan 0.000 0.525 996 D N 1.224 121.666 120.400 0.070 0.000 2.228 996 D HA 0.132 4.772 4.640 0.000 0.000 0.203 996 D C 0.947 177.240 176.300 -0.012 0.000 0.988 996 D CA 2.111 56.207 54.000 0.160 0.000 0.864 996 D CB 0.129 41.040 40.800 0.184 0.000 0.928 996 D HN 0.846 nan 8.370 nan 0.000 0.469 997 D N -3.799 116.381 120.400 -0.366 0.000 2.694 997 D HA 0.265 4.905 4.640 0.000 0.000 0.260 997 D C -0.875 174.839 176.300 -0.977 0.000 1.250 997 D CA -0.733 52.584 54.000 -1.138 0.000 0.763 997 D CB 0.762 40.441 40.800 -1.868 0.000 1.311 997 D HN -0.293 nan 8.370 nan 0.000 0.420 998 S N -0.140 114.768 115.700 -1.319 0.000 2.588 998 S HA 0.256 4.726 4.470 0.000 0.000 0.245 998 S C -0.626 174.038 174.600 0.107 0.000 1.021 998 S CA -0.716 57.341 58.200 -0.239 0.000 1.006 998 S CB -0.618 62.751 63.200 0.281 0.000 0.830 998 S HN 0.597 nan 8.310 nan 0.000 0.468 999 W N 1.113 122.345 121.300 -0.113 0.000 1.832 999 W HA 0.597 5.257 4.660 0.000 0.000 0.297 999 W C -0.060 176.398 176.519 -0.102 0.000 0.891 999 W CA -0.704 56.569 57.345 -0.120 0.000 2.000 999 W CB -0.578 28.768 29.460 -0.189 0.000 1.081 999 W HN 0.175 nan 8.180 nan 0.000 0.499 1000 S N -1.291 114.308 115.700 -0.167 0.000 2.595 1000 S HA 0.582 5.052 4.470 0.000 0.000 0.270 1000 S C -3.255 171.275 174.600 -0.117 0.000 1.145 1000 S CA -1.479 56.641 58.200 -0.134 0.000 0.825 1000 S CB 1.511 64.633 63.200 -0.129 0.000 1.107 1000 S HN -0.195 nan 8.310 nan 0.000 0.461 1001 P HA 0.271 nan 4.420 nan 0.000 0.270 1001 P C 0.260 177.590 177.300 0.050 0.000 1.242 1001 P CA -0.109 62.997 63.100 0.010 0.000 0.768 1001 P CB 0.702 32.302 31.700 -0.167 0.000 0.820 1002 S N 1.062 116.823 115.700 0.102 0.000 2.846 1002 S HA 0.169 4.639 4.470 0.000 0.000 0.249 1002 S C 0.160 174.830 174.600 0.117 0.000 1.028 1002 S CA -0.350 57.886 58.200 0.061 0.000 1.043 1002 S CB -0.261 62.919 63.200 -0.034 0.000 0.990 1002 S HN 0.099 nan 8.310 nan 0.000 0.564 1003 V N 4.146 124.178 119.914 0.197 0.000 2.385 1003 V HA 0.457 4.577 4.120 0.000 0.000 0.269 1003 V C 0.790 177.042 176.094 0.264 0.000 1.043 1003 V CA -0.393 62.025 62.300 0.197 0.000 0.906 1003 V CB 0.763 32.668 31.823 0.137 0.000 0.995 1003 V HN 0.676 nan 8.190 nan 0.000 0.467 1004 S N 4.672 120.557 115.700 0.309 0.000 2.572 1004 S HA 0.331 4.801 4.470 0.000 0.000 0.279 1004 S C 1.507 176.267 174.600 0.267 0.000 1.341 1004 S CA 0.032 58.409 58.200 0.296 0.000 1.043 1004 S CB 1.401 64.742 63.200 0.235 0.000 0.887 1004 S HN 1.063 nan 8.310 nan 0.000 0.516 1005 A N 2.151 125.066 122.820 0.159 0.000 1.958 1005 A HA -0.189 4.131 4.320 0.000 0.000 0.221 1005 A C 1.915 179.508 177.584 0.016 0.000 1.178 1005 A CA 1.970 54.077 52.037 0.117 0.000 0.642 1005 A CB -1.170 17.878 19.000 0.080 0.000 0.816 1005 A HN 0.994 nan 8.150 nan 0.000 0.453 1006 E N -1.214 118.897 120.200 -0.147 0.000 2.409 1006 E HA -0.085 4.265 4.350 0.000 0.000 0.198 1006 E C 0.776 176.996 176.600 -0.632 0.000 1.024 1006 E CA 0.988 57.132 56.400 -0.428 0.000 0.861 1006 E CB -0.311 28.974 29.700 -0.691 0.000 0.788 1006 E HN 0.793 nan 8.360 nan 0.000 0.521 1007 F N 0.869 120.871 119.950 0.087 0.000 2.678 1007 F HA 0.199 4.726 4.527 0.000 0.000 0.305 1007 F C 0.667 176.509 175.800 0.071 0.000 1.090 1007 F CA -0.451 57.599 58.000 0.084 0.000 1.272 1007 F CB 0.371 39.419 39.000 0.080 0.000 1.060 1007 F HN -0.159 nan 8.300 nan 0.000 0.576 1008 Q N 1.188 121.108 119.800 0.200 0.000 2.227 1008 Q HA 0.408 4.748 4.340 0.000 0.000 0.245 1008 Q C -0.224 175.820 176.000 0.073 0.000 0.926 1008 Q CA -0.540 55.366 55.803 0.173 0.000 0.895 1008 Q CB 1.830 30.768 28.738 0.334 0.000 1.230 1008 Q HN 0.236 nan 8.270 nan 0.000 0.450 1009 L N 2.356 123.595 121.223 0.025 0.000 2.422 1009 L HA 0.117 4.457 4.340 0.000 0.000 0.256 1009 L C 0.611 177.381 176.870 -0.166 0.000 1.202 1009 L CA -0.063 54.750 54.840 -0.045 0.000 1.119 1009 L CB -0.295 41.637 42.059 -0.211 0.000 1.383 1009 L HN 0.732 nan 8.230 nan 0.000 0.411 1010 S N -1.066 114.496 115.700 -0.230 0.000 2.539 1010 S HA 0.115 4.585 4.470 0.000 0.000 0.221 1010 S C 1.789 176.292 174.600 -0.161 0.000 0.987 1010 S CA 0.219 58.112 58.200 -0.511 0.000 0.929 1010 S CB 0.682 63.636 63.200 -0.410 0.000 0.832 1010 S HN 0.513 nan 8.310 nan 0.000 0.492 1011 A N 1.848 124.620 122.820 -0.080 0.000 2.024 1011 A HA 0.355 4.675 4.320 0.000 0.000 0.220 1011 A C 2.202 179.630 177.584 -0.259 0.000 1.164 1011 A CA 1.625 53.485 52.037 -0.296 0.000 0.643 1011 A CB -1.399 17.148 19.000 -0.755 0.000 0.806 1011 A HN 1.527 nan 8.150 nan 0.000 0.451 1012 G N -1.857 106.881 108.800 -0.104 0.000 2.363 1012 G HA2 -0.280 3.680 3.960 0.000 0.000 0.238 1012 G HA3 -0.280 3.680 3.960 0.000 0.000 0.238 1012 G C 0.423 175.297 174.900 -0.043 0.000 1.062 1012 G CA 0.453 45.547 45.100 -0.009 0.000 0.629 1012 G HN 0.727 nan 8.290 nan 0.000 0.514 1013 R N -0.652 119.657 120.500 -0.319 0.000 2.574 1013 R HA 0.650 4.990 4.340 0.000 0.000 0.288 1013 R C -1.626 174.333 176.300 -0.569 0.000 1.004 1013 R CA -0.632 55.334 56.100 -0.224 0.000 0.895 1013 R CB 1.581 31.818 30.300 -0.106 0.000 1.191 1013 R HN 0.215 nan 8.270 nan 0.000 0.444 1014 Y N 0.316 120.612 120.300 -0.006 0.000 2.477 1014 Y HA 0.377 4.927 4.550 0.000 0.000 0.347 1014 Y C -0.370 175.703 175.900 0.287 0.000 0.981 1014 Y CA -0.899 57.192 58.100 -0.014 0.000 1.033 1014 Y CB 2.168 40.444 38.460 -0.308 0.000 1.245 1014 Y HN 0.591 nan 8.280 nan 0.000 0.455 1015 H N 2.603 121.973 119.070 0.500 0.000 2.771 1015 H HA 0.643 5.199 4.556 0.000 0.000 0.361 1015 H C -1.743 173.956 175.328 0.618 0.000 1.108 1015 H CA -0.981 55.327 56.048 0.434 0.000 1.201 1015 H CB 1.319 31.226 29.762 0.242 0.000 1.681 1015 H HN 0.597 nan 8.280 nan 0.000 0.534 1016 Y N 1.281 121.282 120.300 -0.498 0.000 2.656 1016 Y HA 0.527 5.077 4.550 0.000 0.000 0.334 1016 Y C -2.007 173.686 175.900 -0.346 0.000 1.179 1016 Y CA -1.096 56.826 58.100 -0.297 0.000 1.050 1016 Y CB 1.310 39.713 38.460 -0.095 0.000 1.308 1016 Y HN 0.700 nan 8.280 nan 0.000 0.456 1017 Q N 2.772 122.546 119.800 -0.044 0.000 2.416 1017 Q HA 0.805 5.145 4.340 0.000 0.000 0.281 1017 Q C -1.929 174.138 176.000 0.111 0.000 1.067 1017 Q CA -1.125 54.654 55.803 -0.040 0.000 0.809 1017 Q CB 3.650 32.407 28.738 0.031 0.000 1.418 1017 Q HN 0.770 nan 8.270 nan 0.000 0.411 1018 L N 0.823 122.094 121.223 0.079 0.000 2.465 1018 L HA 0.695 5.035 4.340 0.000 0.000 0.257 1018 L C -1.514 175.463 176.870 0.178 0.000 0.988 1018 L CA -1.131 53.793 54.840 0.140 0.000 0.827 1018 L CB 2.809 44.924 42.059 0.094 0.000 1.397 1018 L HN 0.475 nan 8.230 nan 0.000 0.410 1019 V N 1.426 121.479 119.914 0.233 0.000 2.531 1019 V HA 0.484 4.604 4.120 0.000 0.000 0.301 1019 V C -1.040 175.249 176.094 0.326 0.000 1.034 1019 V CA -0.452 62.002 62.300 0.257 0.000 0.865 1019 V CB 2.137 34.084 31.823 0.205 0.000 0.995 1019 V HN 0.638 nan 8.190 nan 0.000 0.424 1023 K N 0.000 120.337 120.400 -0.105 0.000 2.780 1023 K HA 0.000 4.320 4.320 0.000 0.000 0.191 1023 K CA 0.000 56.245 56.287 -0.070 0.000 0.838 1023 K CB 0.000 32.468 32.500 -0.053 0.000 1.064 1023 K HN 0.000 nan 8.250 nan 0.000 0.543