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_I 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 -1.956 112.630 114.554 0.053 0.000 3.100 4 T HA 0.205 4.555 4.350 -0.000 0.000 0.253 4 T C 0.789 175.527 174.700 0.062 0.000 1.118 4 T CA 0.996 63.115 62.100 0.031 0.000 1.058 4 T CB -0.467 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 2.302 122.796 120.400 0.156 0.000 2.340 5 D HA 0.088 4.728 4.640 -0.000 0.000 0.220 5 D C 0.976 177.474 176.300 0.330 0.000 1.039 5 D CA 0.121 54.324 54.000 0.337 0.000 0.866 5 D CB 0.001 41.051 40.800 0.417 0.000 0.913 5 D HN 0.564 nan 8.370 nan 0.000 0.523 6 S N 0.311 116.095 115.700 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 1.069 64.284 63.200 0.025 0.000 0.882 6 S HN -0.116 nan 8.310 nan 0.000 0.498 7 L N 4.147 125.401 121.223 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 -1.792 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 -1.378 121.447 122.820 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 2.434 54.474 52.037 0.005 0.000 0.647 8 A CB -1.063 17.936 19.000 -0.001 0.000 0.821 8 A HN 0.263 nan 8.150 nan 0.000 0.457 9 V N -0.912 118.989 119.914 -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 -0.394 31.400 31.823 -0.050 0.000 0.652 9 V HN 0.368 nan 8.190 nan 0.000 0.452 10 V N 0.685 120.500 119.914 -0.165 0.000 2.231 10 V HA -0.306 3.814 4.120 -0.000 0.000 0.250 10 V C 2.188 178.169 176.094 -0.188 0.000 1.058 10 V CA 2.342 64.434 62.300 -0.346 0.000 1.022 10 V CB -0.757 30.800 31.823 -0.443 0.000 0.640 10 V HN 0.494 nan 8.190 nan 0.000 0.445 11 L N 0.351 121.567 121.223 -0.011 0.000 2.633 11 L HA -0.123 4.217 4.340 -0.000 0.000 0.235 11 L C 2.385 179.334 176.870 0.133 0.000 1.163 11 L CA 0.814 55.790 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 0.432 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 57.275 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 0.371 120.790 120.500 -0.136 0.000 2.105 13 R HA -0.007 4.333 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 1.158 57.142 56.100 -0.193 0.000 0.967 13 R CB -0.265 29.921 30.300 -0.190 0.000 0.861 13 R HN 0.356 nan 8.270 nan 0.000 0.442 14 R N 0.751 120.944 120.500 -0.511 0.000 3.261 14 R HA -0.126 4.214 4.340 -0.000 0.000 0.257 14 R C -0.050 175.694 176.300 -0.926 0.000 1.014 14 R CA 0.411 55.733 56.100 -1.297 0.000 0.681 14 R CB -1.205 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 1.842 55.630 54.000 -0.353 0.000 0.847 15 D CB -0.153 40.231 40.800 -0.693 0.000 0.942 15 D HN 0.731 nan 8.370 nan 0.000 0.467 16 W N 1.594 122.932 121.300 0.064 0.000 3.204 16 W HA 0.133 4.793 4.660 -0.000 0.000 0.249 16 W C 0.459 177.092 176.519 0.191 0.000 1.322 16 W CA -0.114 57.369 57.345 0.229 0.000 1.593 16 W CB -0.244 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 -0.773 175.719 176.600 -0.179 0.000 0.980 17 E CA -0.224 56.092 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 1.226 119.839 118.700 -0.145 0.000 2.594 18 N HA 0.136 4.876 4.740 -0.000 0.000 0.280 18 N C -2.243 173.149 175.510 -0.197 0.000 1.156 18 N CA -1.951 50.979 53.050 -0.200 0.000 0.831 18 N CB 1.479 39.853 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 1.175 178.247 177.300 -0.380 0.000 1.144 19 P CA 1.056 63.831 63.100 -0.541 0.000 0.800 19 P CB 0.132 31.065 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 0.354 175.183 174.900 -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 1.221 121.087 119.914 -0.080 0.000 2.350 21 V HA 0.401 4.521 4.120 -0.000 0.000 0.285 21 V C 0.853 177.016 176.094 0.114 0.000 1.014 21 V CA 0.182 62.491 62.300 0.014 0.000 0.831 21 V CB 1.311 33.137 31.823 0.006 0.000 1.000 21 V HN 0.299 nan 8.190 nan 0.000 0.433 22 T N 0.752 115.361 114.554 0.091 0.000 3.003 22 T HA 0.355 4.705 4.350 -0.000 0.000 0.261 22 T C 0.235 174.962 174.700 0.044 0.000 1.003 22 T CA 0.234 62.382 62.100 0.080 0.000 0.917 22 T CB 0.401 69.274 68.868 0.009 0.000 1.084 22 T HN 0.705 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 -2.252 173.877 176.000 0.214 0.000 0.920 23 Q CA -1.064 54.799 55.803 0.100 0.000 0.766 23 Q CB 0.980 29.700 28.738 -0.029 0.000 1.467 23 Q HN 0.239 nan 8.270 nan 0.000 0.415 24 L N 1.729 123.100 121.223 0.247 0.000 2.528 24 L HA 0.560 4.900 4.340 -0.000 0.000 0.267 24 L C -0.747 176.266 176.870 0.239 0.000 0.961 24 L CA -0.842 54.160 54.840 0.270 0.000 0.866 24 L CB 1.921 44.244 42.059 0.440 0.000 1.248 24 L HN 0.858 nan 8.230 nan 0.000 0.404 25 N N 0.887 119.686 118.700 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 -0.768 37.807 38.487 0.148 0.000 1.119 25 N HN 0.694 nan 8.380 nan 0.000 0.561 26 R N 1.160 121.611 120.500 -0.081 0.000 2.390 26 R HA 0.401 4.741 4.340 -0.000 0.000 0.291 26 R C 0.773 176.901 176.300 -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 -0.516 0.000 1.007 26 R HN 0.110 nan 8.270 nan 0.000 0.466 27 L N 2.571 123.612 121.223 -0.303 0.000 2.456 27 L HA 0.281 4.621 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 -0.510 54.263 54.840 -0.111 0.000 0.826 27 L CB 0.228 42.264 42.059 -0.039 0.000 1.150 27 L HN 0.739 nan 8.230 nan 0.000 0.514 28 A N 0.239 123.065 122.820 0.010 0.000 2.322 28 A HA 0.615 4.935 4.320 -0.000 0.000 0.269 28 A C 0.105 177.752 177.584 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 0.822 123.658 122.820 0.027 0.000 2.332 29 A HA 0.692 5.012 4.320 -0.000 0.000 0.258 29 A C 0.065 177.644 177.584 -0.008 0.000 1.087 29 A CA 0.566 52.560 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 -2.449 116.535 119.070 -0.144 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 -1.510 54.409 56.048 -0.216 0.000 1.178 30 H CB 0.066 29.705 29.762 -0.204 0.000 1.836 30 H HN 0.428 nan 8.280 nan 0.000 0.495 31 P HA 0.208 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 -1.524 61.348 63.100 -0.380 0.000 0.791 31 P CB -0.407 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 0.014 0.000 1.183 32 P CA 1.004 64.013 63.100 -0.152 0.000 0.761 32 P CB -0.180 31.517 31.700 -0.006 0.000 0.785 33 F N 1.233 121.314 119.950 0.217 0.000 2.538 33 F HA 0.597 5.124 4.527 -0.000 0.000 0.325 33 F C 1.138 176.917 175.800 -0.036 0.000 1.066 33 F CA -0.962 57.111 58.000 0.123 0.000 0.946 33 F CB 1.996 41.031 39.000 0.057 0.000 1.199 33 F HN 0.223 nan 8.300 nan 0.000 0.473 34 A N 0.252 123.091 122.820 0.032 0.000 2.140 34 A HA 0.274 4.594 4.320 -0.000 0.000 0.199 34 A C 0.880 178.251 177.584 -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 -1.363 0.000 1.117 34 A HN 0.820 nan 8.150 nan 0.000 0.480 35 S N -0.598 115.005 115.700 -0.161 0.000 3.748 35 S HA -0.131 4.339 4.470 -0.000 0.000 0.329 35 S C 0.017 174.596 174.600 -0.036 0.000 1.104 35 S CA 0.388 58.523 58.200 -0.110 0.000 0.954 35 S CB -1.849 61.253 63.200 -0.164 0.000 0.910 35 S HN 0.504 nan 8.310 nan 0.000 0.494 36 W N 1.123 122.427 121.300 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 0.036 176.419 176.300 0.139 0.000 0.979 37 R CA -0.086 56.111 56.100 0.162 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 0.901 119.703 118.700 0.170 0.000 2.454 38 N HA -0.011 4.729 4.740 -0.000 0.000 0.291 38 N C 0.585 176.082 175.510 -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 40.634 38.487 0.062 0.000 1.512 38 N HN -0.080 nan 8.380 nan 0.000 0.497 39 S N 3.253 118.920 115.700 -0.055 0.000 2.369 39 S HA -0.218 4.252 4.470 -0.000 0.000 0.225 39 S C 1.298 175.748 174.600 -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 62.825 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 -0.178 4.172 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 1.685 57.939 56.400 -0.243 0.000 0.812 40 E CB -0.621 28.986 29.700 -0.155 0.000 0.743 40 E HN 0.778 nan 8.360 nan 0.000 0.453 41 E N 0.212 120.273 120.200 -0.233 0.000 2.038 41 E HA -0.193 4.157 4.350 -0.000 0.000 0.195 41 E C 2.055 178.235 176.600 -0.700 0.000 1.000 41 E CA 1.167 57.439 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 1.581 123.587 122.820 -1.357 0.000 1.877 42 A HA -0.237 4.083 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 1.805 52.489 52.037 -2.255 0.000 0.620 42 A CB -0.583 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 -0.109 119.989 120.500 -0.670 0.000 2.127 43 R HA -0.135 4.205 4.340 -0.000 0.000 0.238 43 R C 1.451 177.509 176.300 -0.403 0.000 1.134 43 R CA 2.070 57.863 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 -2.780 111.564 114.554 -0.350 0.000 3.134 44 T HA 0.122 4.472 4.350 -0.000 0.000 0.260 44 T C -0.005 174.637 174.700 -0.096 0.000 1.027 44 T CA 0.121 62.102 62.100 -0.198 0.000 0.913 44 T CB 0.264 69.040 68.868 -0.154 0.000 1.046 44 T HN 0.272 nan 8.240 nan 0.000 0.553 45 D N 1.476 121.797 120.400 -0.132 0.000 2.723 45 D HA -0.152 4.488 4.640 -0.000 0.000 0.236 45 D C 0.340 176.790 176.300 0.251 0.000 1.138 45 D CA 0.395 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 -0.365 120.300 120.500 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 -0.940 55.344 56.100 0.308 0.000 1.102 46 R CB -0.375 30.060 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 -0.420 62.773 63.100 0.155 0.000 0.889 47 P CB 1.681 33.443 31.700 0.102 0.000 1.050 48 S N 1.842 117.444 115.700 -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 -0.454 57.596 58.200 -0.249 0.000 1.070 48 S CB 0.594 63.359 63.200 -0.725 0.000 1.004 48 S HN 0.320 nan 8.310 nan 0.000 0.493 49 Q N 2.343 122.161 119.800 0.029 0.000 2.369 49 Q HA -0.052 4.288 4.340 -0.000 0.000 0.206 49 Q C 0.925 177.069 176.000 0.240 0.000 0.963 49 Q CA 0.521 56.401 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 0.782 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 0.116 4.456 4.340 -0.000 0.000 0.206 50 Q C 0.149 176.200 176.000 0.085 0.000 0.948 50 Q CA 0.224 56.074 55.803 0.078 0.000 0.946 50 Q CB -0.056 28.625 28.738 -0.096 0.000 1.027 50 Q HN 0.167 nan 8.270 nan 0.000 0.513 51 L N 1.006 122.298 121.223 0.115 0.000 2.343 51 L HA 0.482 4.822 4.340 -0.000 0.000 0.278 51 L C -1.170 175.783 176.870 0.140 0.000 0.996 51 L CA -0.390 54.506 54.840 0.093 0.000 0.831 51 L CB 1.532 43.565 42.059 -0.042 0.000 1.232 51 L HN -0.110 nan 8.230 nan 0.000 0.413 52 R N 2.727 123.332 120.500 0.175 0.000 2.575 52 R HA 0.470 4.810 4.340 -0.000 0.000 0.293 52 R C -1.046 175.286 176.300 0.055 0.000 0.983 52 R CA -0.544 55.625 56.100 0.116 0.000 0.887 52 R CB 2.270 32.654 30.300 0.140 0.000 1.184 52 R HN 0.706 nan 8.270 nan 0.000 0.445 53 S N 3.146 118.866 115.700 0.034 0.000 2.562 53 S HA 0.308 4.778 4.470 -0.000 0.000 0.275 53 S C 0.858 175.471 174.600 0.023 0.000 1.281 53 S CA -0.529 57.685 58.200 0.023 0.000 1.045 53 S CB 0.566 63.787 63.200 0.035 0.000 0.962 53 S HN 0.566 nan 8.310 nan 0.000 0.503 54 L N 3.491 124.738 121.223 0.039 0.000 2.910 54 L HA 0.299 4.639 4.340 -0.000 0.000 0.252 54 L C 0.082 177.155 176.870 0.338 0.000 1.195 54 L CA -0.316 54.588 54.840 0.107 0.000 1.003 54 L CB -0.507 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 0.641 176.296 175.510 0.243 0.000 1.180 55 N CA 0.757 53.920 53.050 0.188 0.000 0.948 55 N CB 1.791 40.320 38.487 0.069 0.000 1.083 55 N HN 0.337 nan 8.380 nan 0.000 0.455 56 G N 0.923 109.907 108.800 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 44.503 45.100 0.282 0.000 0.982 56 G HN 0.452 nan 8.290 nan 0.000 0.471 57 E N -0.413 119.979 120.200 0.319 0.000 2.338 57 E HA 0.516 4.866 4.350 -0.000 0.000 0.272 57 E C -1.060 175.792 176.600 0.420 0.000 1.029 57 E CA 0.040 56.628 56.400 0.314 0.000 0.872 57 E CB 0.773 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 -0.571 176.050 176.519 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 -0.835 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 1.121 121.069 119.950 -0.002 0.000 2.563 60 F HA 0.698 5.225 4.527 -0.000 0.000 0.316 60 F C -1.388 174.262 175.800 -0.250 0.000 1.076 60 F CA -0.683 57.173 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 4.469 126.332 122.820 -1.595 0.000 2.517 61 A HA 0.522 4.842 4.320 -0.000 0.000 0.297 61 A C -2.422 174.281 177.584 -1.468 0.000 1.050 61 A CA -0.519 50.784 52.037 -1.224 0.000 0.694 61 A CB 0.525 19.219 19.000 -0.510 0.000 1.277 61 A HN 0.968 nan 8.150 nan 0.000 0.400 62 W N 2.647 123.170 121.300 -1.295 0.000 2.551 62 W HA 0.779 5.439 4.660 -0.000 0.000 0.330 62 W C -1.901 174.141 176.519 -0.795 0.000 1.063 62 W CA -0.438 56.366 57.345 -0.902 0.000 1.222 62 W CB 1.204 30.320 29.460 -0.574 0.000 1.349 62 W HN 0.494 nan 8.180 nan 0.000 0.536 63 F N 5.791 125.096 119.950 -1.075 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 1.480 40.157 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 0.548 32.317 31.700 0.115 0.000 0.780 65 A N -1.240 121.483 122.820 -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 -1.004 50.969 52.037 -0.107 0.000 0.683 65 A CB 0.490 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 1.773 64.724 63.100 -0.248 0.000 0.853 66 P CB 0.199 31.724 31.700 -0.291 0.000 0.788 67 E N 0.711 120.867 120.200 -0.073 0.000 2.070 67 E HA -0.166 4.184 4.350 -0.000 0.000 0.197 67 E C 2.271 178.830 176.600 -0.068 0.000 1.004 67 E CA 1.759 58.140 56.400 -0.031 0.000 0.805 67 E CB -1.284 28.433 29.700 0.030 0.000 0.744 67 E HN 0.184 nan 8.360 nan 0.000 0.451 68 A N 1.113 123.898 122.820 -0.057 0.000 2.139 68 A HA -0.098 4.222 4.320 -0.000 0.000 0.221 68 A C 0.994 178.465 177.584 -0.188 0.000 1.159 68 A CA 0.559 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 1.968 121.597 119.914 -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 -1.197 60.655 62.300 -0.747 0.000 1.095 69 V CB 0.636 31.899 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 0.390 177.681 177.300 -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 1.872 122.054 120.200 -0.029 0.000 2.169 71 E HA -0.232 4.118 4.350 -0.000 0.000 0.202 71 E C 1.632 178.200 176.600 -0.053 0.000 1.016 71 E CA 2.414 58.785 56.400 -0.047 0.000 0.817 71 E CB -0.273 29.400 29.700 -0.046 0.000 0.736 71 E HN 0.452 nan 8.360 nan 0.000 0.462 72 S N -0.233 115.459 115.700 -0.013 0.000 2.400 72 S HA -0.224 4.246 4.470 -0.000 0.000 0.232 72 S C 1.440 176.024 174.600 -0.027 0.000 1.025 72 S CA 1.044 59.235 58.200 -0.016 0.000 0.993 72 S CB -0.732 62.482 63.200 0.024 0.000 0.808 72 S HN 0.545 nan 8.310 nan 0.000 0.478 73 W N 2.730 123.941 121.300 -0.149 0.000 2.308 73 W HA -0.176 4.484 4.660 -0.000 0.000 0.301 73 W C 1.593 177.994 176.519 -0.196 0.000 1.220 73 W CA 1.041 58.287 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 -1.093 118.929 120.200 -0.296 0.000 2.057 75 E HA 0.053 4.403 4.350 -0.000 0.000 0.190 75 E C 0.346 176.854 176.600 -0.155 0.000 0.969 75 E CA 0.512 56.803 56.400 -0.181 0.000 0.812 75 E CB 0.111 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 1.546 120.771 119.300 -0.125 0.000 2.712 76 C HA 0.371 4.831 4.460 -0.000 0.000 0.308 76 C C -0.076 174.907 174.990 -0.012 0.000 1.201 76 C CA -1.327 57.653 59.018 -0.064 0.000 1.554 76 C CB 1.681 29.408 27.740 -0.022 0.000 2.117 76 C HN 0.232 nan 8.230 nan 0.000 0.480 77 D N 1.195 121.607 120.400 0.021 0.000 2.378 77 D HA 0.238 4.878 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 0.421 54.486 54.000 0.108 0.000 0.895 77 D CB 0.607 41.459 40.800 0.086 0.000 1.192 77 D HN 0.342 nan 8.370 nan 0.000 0.438 78 L N 2.233 123.557 121.223 0.168 0.000 2.439 78 L HA 0.204 4.544 4.340 -0.000 0.000 0.259 78 L C -1.108 175.802 176.870 0.065 0.000 1.129 78 L CA -1.567 53.341 54.840 0.115 0.000 0.803 78 L CB 0.586 42.714 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 0.575 177.885 177.300 0.018 0.000 1.157 79 P CA 1.059 64.175 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 0.037 120.241 120.200 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 56.263 56.400 -0.018 0.000 0.878 80 E CB -0.682 28.991 29.700 -0.045 0.000 0.939 80 E HN 0.207 nan 8.360 nan 0.000 0.503 81 A N 1.133 123.952 122.820 -0.001 0.000 2.351 81 A HA 0.206 4.526 4.320 -0.000 0.000 0.257 81 A C -0.094 177.514 177.584 0.040 0.000 1.087 81 A CA -0.424 51.612 52.037 -0.001 0.000 0.798 81 A CB 0.489 19.517 19.000 0.046 0.000 1.033 81 A HN 0.061 nan 8.150 nan 0.000 0.488 82 D N 0.003 120.448 120.400 0.075 0.000 2.299 82 D HA 0.433 5.073 4.640 -0.000 0.000 0.243 82 D C -0.746 175.640 176.300 0.143 0.000 0.982 82 D CA -0.098 53.976 54.000 0.125 0.000 0.924 82 D CB 1.741 42.669 40.800 0.214 0.000 1.238 82 D HN 0.419 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 -0.124 174.644 174.700 0.114 0.000 0.973 83 T CA -0.388 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 3.250 123.258 119.914 0.158 0.000 3.078 84 V HA 0.501 4.621 4.120 -0.000 0.000 0.311 84 V C -0.383 175.809 176.094 0.164 0.000 1.138 84 V CA -0.954 61.404 62.300 0.098 0.000 1.007 84 V CB 2.441 34.314 31.823 0.084 0.000 1.045 84 V HN 0.639 nan 8.190 nan 0.000 0.432 85 V N 2.383 122.361 119.914 0.107 0.000 2.509 85 V HA 0.523 4.643 4.120 -0.000 0.000 0.284 85 V C -0.203 175.941 176.094 0.084 0.000 1.047 85 V CA -0.378 61.995 62.300 0.122 0.000 0.952 85 V CB 1.552 33.421 31.823 0.077 0.000 0.988 85 V HN 0.562 nan 8.190 nan 0.000 0.469 86 V N 7.042 126.951 119.914 -0.008 0.000 2.540 86 V HA 0.518 4.638 4.120 -0.000 0.000 0.302 86 V C -2.245 173.758 176.094 -0.152 0.000 1.035 86 V CA -1.571 60.603 62.300 -0.210 0.000 0.873 86 V CB 2.658 34.026 31.823 -0.759 0.000 0.992 86 V HN 0.797 nan 8.190 nan 0.000 0.428 87 P HA 0.656 nan 4.420 nan 0.000 0.281 87 P C -0.990 176.267 177.300 -0.072 0.000 1.264 87 P CA -0.371 62.637 63.100 -0.154 0.000 0.824 87 P CB 1.846 33.456 31.700 -0.150 0.000 1.092 88 S N -0.557 115.125 115.700 -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 0.006 63.213 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 0.386 175.767 175.510 -0.215 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 2.738 123.921 121.300 -0.194 0.000 2.392 90 W HA -0.060 4.600 4.660 -0.000 0.000 0.279 90 W C 0.864 177.369 176.519 -0.023 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 -0.310 0.000 1.122 90 W HN 0.485 nan 8.180 nan 0.000 0.561 91 Q N 0.420 120.218 119.800 -0.003 0.000 2.291 91 Q HA -0.121 4.219 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 1.518 57.342 55.803 0.035 0.000 0.875 91 Q CB -0.685 27.950 28.738 -0.171 0.000 0.927 91 Q HN 0.212 nan 8.270 nan 0.000 0.450 92 M N -0.779 118.718 119.600 -0.172 0.000 2.630 92 M HA -0.044 4.436 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 -0.540 31.846 32.600 -0.357 0.000 1.453 92 M HN 0.329 nan 8.290 nan 0.000 0.509 93 H N -1.755 117.376 119.070 0.101 0.000 2.581 93 H HA 0.381 4.937 4.556 -0.000 0.000 0.275 93 H C 1.274 176.509 175.328 -0.155 0.000 1.126 93 H CA 0.100 56.180 56.048 0.054 0.000 1.097 93 H CB 0.540 30.465 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 0.632 175.432 174.900 -0.165 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 1.997 122.319 120.300 0.036 0.000 2.151 95 Y HA 0.160 4.710 4.550 -0.000 0.000 0.284 95 Y C 1.760 177.450 175.900 -0.349 0.000 1.166 95 Y CA 1.748 59.734 58.100 -0.191 0.000 1.163 95 Y CB -0.189 38.156 38.460 -0.192 0.000 0.974 95 Y HN 0.681 nan 8.280 nan 0.000 0.511 96 D N -2.582 117.939 120.400 0.202 0.000 2.768 96 D HA 0.510 5.150 4.640 -0.000 0.000 0.327 96 D C -1.182 175.237 176.300 0.198 0.000 1.302 96 D CA -0.700 53.417 54.000 0.196 0.000 0.897 96 D CB 0.651 41.717 40.800 0.443 0.000 1.420 96 D HN 0.031 nan 8.370 nan 0.000 0.494 97 A N -0.294 122.644 122.820 0.196 0.000 2.327 97 A HA 0.685 5.005 4.320 -0.000 0.000 0.283 97 A C -2.401 175.231 177.584 0.080 0.000 1.127 97 A CA -1.057 51.073 52.037 0.154 0.000 0.810 97 A CB 0.014 19.150 19.000 0.228 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 -1.049 176.380 177.300 0.215 0.000 1.261 98 P CA -0.200 62.842 63.100 -0.097 0.000 0.821 98 P CB 0.968 32.345 31.700 -0.538 0.000 1.013 99 I N 2.379 123.170 120.570 0.369 0.000 2.474 99 I HA 0.320 4.490 4.170 -0.000 0.000 0.294 99 I C -0.443 175.891 176.117 0.361 0.000 1.005 99 I CA -0.809 60.723 61.300 0.387 0.000 1.113 99 I CB 1.471 39.619 38.000 0.247 0.000 1.289 99 I HN 0.273 nan 8.210 nan 0.000 0.436 100 Y N 5.388 125.682 120.300 -0.011 0.000 2.712 100 Y HA 0.583 5.133 4.550 -0.000 0.000 0.328 100 Y C -0.343 175.417 175.900 -0.234 0.000 0.995 100 Y CA -0.291 57.515 58.100 -0.489 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 4.181 118.215 114.554 -0.866 0.000 2.887 101 T HA 0.253 4.603 4.350 -0.000 0.000 0.288 101 T C 0.371 174.588 174.700 -0.805 0.000 1.021 101 T CA -0.541 61.094 62.100 -0.775 0.000 1.000 101 T CB 1.415 70.059 68.868 -0.373 0.000 1.034 101 T HN 0.870 nan 8.240 nan 0.000 0.467 102 N N 2.030 120.333 118.700 -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 0.561 53.362 53.050 -0.414 0.000 0.898 102 N CB 0.260 38.527 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 0.551 176.309 176.094 -0.560 0.000 1.077 103 V CA 0.662 62.542 62.300 -0.700 0.000 1.103 103 V CB -0.023 31.349 31.823 -0.752 0.000 0.802 103 V HN 0.277 nan 8.190 nan 0.000 0.482 104 T N 1.339 115.642 114.554 -0.418 0.000 2.867 104 T HA 0.129 4.479 4.350 -0.000 0.000 0.297 104 T C -0.409 174.140 174.700 -0.253 0.000 0.989 104 T CA 0.359 62.287 62.100 -0.287 0.000 1.159 104 T CB -0.337 68.404 68.868 -0.211 0.000 0.928 104 T HN 0.189 nan 8.240 nan 0.000 0.538 105 Y N 4.791 124.988 120.300 -0.170 0.000 2.610 105 Y HA 0.109 4.659 4.550 -0.000 0.000 0.332 105 Y C -0.999 174.769 175.900 -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 0.559 nan 8.280 nan 0.000 0.563 106 P HA -0.125 nan 4.420 nan 0.000 0.218 106 P C 0.185 177.300 177.300 -0.307 0.000 1.149 106 P CA 1.345 64.332 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 -4.521 115.784 120.570 -0.441 0.000 3.205 107 I HA 0.445 4.615 4.170 -0.000 0.000 0.310 107 I C -0.446 175.534 176.117 -0.229 0.000 1.089 107 I CA -0.991 60.041 61.300 -0.447 0.000 1.023 107 I CB 1.282 38.841 38.000 -0.735 0.000 1.269 107 I HN -0.397 nan 8.210 nan 0.000 0.512 108 T N 2.350 116.811 114.554 -0.154 0.000 2.907 108 T HA 0.246 4.596 4.350 -0.000 0.000 0.298 108 T C 0.123 174.814 174.700 -0.016 0.000 1.017 108 T CA -0.413 61.655 62.100 -0.053 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 4.343 124.270 119.914 0.022 0.000 2.352 109 V HA 0.268 4.388 4.120 -0.000 0.000 0.253 109 V C 0.653 176.810 176.094 0.105 0.000 1.083 109 V CA -0.267 62.076 62.300 0.072 0.000 0.993 109 V CB -0.620 31.232 31.823 0.050 0.000 1.111 109 V HN 0.863 nan 8.190 nan 0.000 0.490 110 N N 5.313 124.138 118.700 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 0.142 0.000 1.537 110 N CA -1.184 51.974 53.050 0.180 0.000 0.793 110 N CB 1.462 40.106 38.487 0.261 0.000 1.391 110 N HN 0.284 nan 8.380 nan 0.000 0.524 111 P HA 0.189 nan 4.420 nan 0.000 0.266 111 P C -2.349 174.652 177.300 -0.498 0.000 1.195 111 P CA -0.739 61.917 63.100 -0.741 0.000 0.768 111 P CB 0.372 31.376 31.700 -1.160 0.000 0.838 112 P HA 0.263 nan 4.420 nan 0.000 0.248 112 P C -0.745 176.419 177.300 -0.227 0.000 1.708 112 P CA -0.277 62.574 63.100 -0.415 0.000 1.062 112 P CB -0.285 31.184 31.700 -0.386 0.000 1.562 113 F N -0.365 119.720 119.950 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 -1.174 56.964 58.000 0.229 0.000 1.130 113 F CB 1.300 40.377 39.000 0.128 0.000 1.129 113 F HN -0.292 nan 8.300 nan 0.000 0.500 114 V N 4.211 124.422 119.914 0.496 0.000 2.863 114 V HA 0.344 4.464 4.120 -0.000 0.000 0.307 114 V C -1.855 174.425 176.094 0.310 0.000 1.061 114 V CA -1.795 60.721 62.300 0.361 0.000 1.024 114 V CB 1.516 33.649 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 0.803 178.256 177.300 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 32.369 31.700 0.109 0.000 0.951 116 T N -0.259 114.410 114.554 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 -0.639 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 2.822 123.138 120.200 0.194 0.000 1.963 117 E HA 0.428 4.778 4.350 -0.000 0.000 0.274 117 E C -0.670 176.085 176.600 0.259 0.000 1.061 117 E CA -0.313 56.202 56.400 0.192 0.000 0.847 117 E CB 0.438 30.257 29.700 0.197 0.000 1.083 117 E HN 0.442 nan 8.360 nan 0.000 0.402 118 N N 3.348 122.154 118.700 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 -0.042 0.000 1.053 118 N CA -2.682 50.472 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 -0.721 176.457 177.300 -0.203 0.000 1.170 119 P CA 0.587 63.584 63.100 -0.172 0.000 0.806 119 P CB -0.041 31.843 31.700 0.307 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 -0.469 61.375 62.100 -0.426 0.000 1.028 120 T CB 1.529 70.154 68.868 -0.405 0.000 0.951 120 T HN 0.301 nan 8.240 nan 0.000 0.460 121 G N 0.973 109.514 108.800 -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 -0.379 174.461 174.900 -0.101 0.000 1.333 121 G CA -0.487 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 3.074 122.029 119.300 -0.575 0.000 2.246 122 C HA 0.513 4.973 4.460 -0.000 0.000 0.329 122 C C -0.575 174.361 174.990 -0.089 0.000 1.221 122 C CA -1.141 57.527 59.018 -0.584 0.000 1.697 122 C CB -1.701 25.031 27.740 -1.680 0.000 2.312 122 C HN 0.595 nan 8.230 nan 0.000 0.509 123 Y N 1.699 122.212 120.300 0.355 0.000 2.387 123 Y HA 0.628 5.178 4.550 -0.000 0.000 0.336 123 Y C 0.726 177.100 175.900 0.788 0.000 1.067 123 Y CA -0.512 57.956 58.100 0.612 0.000 1.114 123 Y CB 1.382 40.198 38.460 0.594 0.000 1.208 123 Y HN 0.701 nan 8.280 nan 0.000 0.458 124 S N 3.082 119.278 115.700 0.825 0.000 2.546 124 S HA 0.832 5.302 4.470 -0.000 0.000 0.274 124 S C -1.556 173.125 174.600 0.135 0.000 1.121 124 S CA -0.884 57.604 58.200 0.481 0.000 0.887 124 S CB 2.340 65.779 63.200 0.398 0.000 1.094 124 S HN 0.672 nan 8.310 nan 0.000 0.474 125 L N 0.828 121.983 121.223 -0.113 0.000 2.565 125 L HA 0.663 5.003 4.340 -0.000 0.000 0.261 125 L C -1.535 175.303 176.870 -0.052 0.000 0.932 125 L CA 0.003 54.603 54.840 -0.401 0.000 0.878 125 L CB 2.192 43.398 42.059 -1.422 0.000 1.333 125 L HN 0.770 nan 8.230 nan 0.000 0.409 126 T N 5.298 119.839 114.554 -0.021 0.000 2.794 126 T HA 0.780 5.130 4.350 -0.000 0.000 0.280 126 T C -0.885 173.908 174.700 0.154 0.000 0.987 126 T CA -0.080 62.054 62.100 0.058 0.000 0.993 126 T CB 0.619 69.467 68.868 -0.034 0.000 0.939 126 T HN 0.488 nan 8.240 nan 0.000 0.449 127 F N 0.676 120.545 119.950 -0.135 0.000 2.741 127 F HA 0.693 5.220 4.527 -0.000 0.000 0.313 127 F C -1.044 174.698 175.800 -0.096 0.000 1.153 127 F CA -1.508 56.418 58.000 -0.122 0.000 0.931 127 F CB 1.259 40.176 39.000 -0.139 0.000 1.335 127 F HN 0.273 nan 8.300 nan 0.000 0.460 128 N N -0.128 118.523 118.700 -0.081 0.000 2.466 128 N HA 0.751 5.491 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 52.339 53.050 -0.153 0.000 0.931 128 N CB 2.213 40.639 38.487 -0.101 0.000 1.193 128 N HN 0.591 nan 8.380 nan 0.000 0.500 129 V N 0.958 120.779 119.914 -0.155 0.000 2.577 129 V HA 0.260 4.380 4.120 -0.000 0.000 0.303 129 V C -0.587 175.381 176.094 -0.211 0.000 1.042 129 V CA -1.030 61.170 62.300 -0.166 0.000 0.872 129 V CB 1.543 33.324 31.823 -0.070 0.000 0.998 129 V HN 0.671 nan 8.190 nan 0.000 0.423 130 D N 3.402 123.576 120.400 -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 0.180 54.009 54.000 -0.285 0.000 0.877 130 D CB 1.301 41.881 40.800 -0.366 0.000 1.187 130 D HN 0.820 nan 8.370 nan 0.000 0.451 131 E N 2.592 122.758 120.200 -0.057 0.000 2.274 131 E HA -0.204 4.146 4.350 -0.000 0.000 0.194 131 E C 1.399 178.038 176.600 0.066 0.000 0.996 131 E CA 0.918 57.327 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 0.333 116.066 115.700 0.056 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 1.487 59.753 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 0.241 4.901 4.660 -0.000 0.000 0.286 133 W C 2.273 178.749 176.519 -0.072 0.000 1.221 133 W CA 0.131 57.218 57.345 -0.431 0.000 1.257 133 W CB -0.962 28.269 29.460 -0.382 0.000 1.120 133 W HN 0.327 nan 8.180 nan 0.000 0.551 134 L N -0.273 121.090 121.223 0.235 0.000 2.291 134 L HA -0.188 4.152 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 0.988 55.933 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 0.898 176.960 176.000 0.103 0.000 0.975 135 Q CA 0.964 56.823 55.803 0.094 0.000 0.862 135 Q CB -0.114 28.671 28.738 0.078 0.000 0.913 135 Q HN 0.230 nan 8.270 nan 0.000 0.431 136 E N 0.674 120.946 120.200 0.120 0.000 2.292 136 E HA 0.398 4.748 4.350 -0.000 0.000 0.258 136 E C 0.490 177.188 176.600 0.164 0.000 1.115 136 E CA 0.135 56.602 56.400 0.111 0.000 0.929 136 E CB 0.475 30.226 29.700 0.084 0.000 1.161 136 E HN 0.410 nan 8.360 nan 0.000 0.453 137 G N 0.596 109.418 108.800 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 -0.830 173.974 174.900 -0.160 0.000 1.331 137 G CA 0.242 45.250 45.100 -0.153 0.000 0.890 137 G HN 0.844 nan 8.290 nan 0.000 0.572 138 Q N -0.573 118.972 119.800 -0.425 0.000 2.347 138 Q HA 0.643 4.983 4.340 -0.000 0.000 0.271 138 Q C -1.324 174.532 176.000 -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 30.637 28.738 -0.136 0.000 1.304 138 Q HN 0.652 nan 8.270 nan 0.000 0.438 139 T N 4.731 119.296 114.554 0.018 0.000 2.815 139 T HA 0.518 4.868 4.350 -0.000 0.000 0.289 139 T C -0.750 174.030 174.700 0.133 0.000 1.000 139 T CA -0.643 61.527 62.100 0.115 0.000 0.958 139 T CB 0.679 69.745 68.868 0.331 0.000 0.944 139 T HN 0.639 nan 8.240 nan 0.000 0.442 140 R N 3.321 123.878 120.500 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 2.658 123.297 120.570 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 -1.465 59.845 61.300 0.018 0.000 1.162 141 I CB 1.599 39.597 38.000 -0.002 0.000 1.332 141 I HN 0.661 nan 8.210 nan 0.000 0.458 142 I N 6.458 126.901 120.570 -0.211 0.000 2.512 142 I HA 0.263 4.433 4.170 -0.000 0.000 0.287 142 I C -1.360 174.492 176.117 -0.442 0.000 1.069 142 I CA -0.403 60.782 61.300 -0.192 0.000 1.056 142 I CB 1.864 39.806 38.000 -0.097 0.000 1.229 142 I HN 0.329 nan 8.210 nan 0.000 0.429 143 F N 4.334 124.283 119.950 -0.003 0.000 2.334 143 F HA 0.276 4.803 4.527 -0.000 0.000 0.367 143 F C 1.326 177.022 175.800 -0.173 0.000 1.115 143 F CA -0.430 57.497 58.000 -0.122 0.000 1.116 143 F CB 0.736 39.641 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 2.264 144 D HA 0.056 4.696 4.640 -0.000 0.000 0.208 144 D C 0.952 177.097 176.300 -0.258 0.000 0.966 144 D CA 0.907 54.802 54.000 -0.176 0.000 0.864 144 D CB 0.365 41.024 40.800 -0.236 0.000 0.933 144 D HN 0.663 nan 8.370 nan 0.000 0.499 145 G N -0.709 107.866 108.800 -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 -1.590 172.847 174.900 -0.772 0.000 1.436 145 G CA -0.526 44.179 45.100 -0.657 0.000 1.036 145 G HN -0.059 nan 8.290 nan 0.000 0.589 146 V N 2.429 122.125 119.914 -0.363 0.000 2.567 146 V HA 0.540 4.660 4.120 -0.000 0.000 0.298 146 V C -0.805 175.339 176.094 0.084 0.000 1.047 146 V CA -1.166 60.992 62.300 -0.236 0.000 0.880 146 V CB 1.837 33.260 31.823 -0.667 0.000 1.009 146 V HN 0.783 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 2.406 40.856 38.487 -0.062 0.000 1.193 147 N HN 0.632 nan 8.380 nan 0.000 0.487 148 S N 2.244 117.927 115.700 -0.028 0.000 2.527 148 S HA 0.508 4.978 4.470 -0.000 0.000 0.227 148 S C 0.486 175.150 174.600 0.107 0.000 1.059 148 S CA 0.281 58.516 58.200 0.057 0.000 0.919 148 S CB 0.162 63.414 63.200 0.087 0.000 0.805 148 S HN 0.706 nan 8.310 nan 0.000 0.500 149 A N 0.716 123.610 122.820 0.123 0.000 2.566 149 A HA 0.849 5.169 4.320 -0.000 0.000 0.292 149 A C -1.168 176.560 177.584 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 -0.984 118.832 119.950 -0.224 0.000 2.746 150 F HA 0.624 5.151 4.527 -0.000 0.000 0.311 150 F C -1.463 174.323 175.800 -0.022 0.000 1.135 150 F CA -0.812 57.149 58.000 -0.065 0.000 0.954 150 F CB 0.874 39.811 39.000 -0.105 0.000 1.276 150 F HN 0.654 nan 8.300 nan 0.000 0.440 151 H N 1.947 121.192 119.070 0.291 0.000 2.533 151 H HA 0.821 5.377 4.556 -0.000 0.000 0.343 151 H C -1.350 174.060 175.328 0.136 0.000 1.160 151 H CA -0.677 55.489 56.048 0.197 0.000 1.218 151 H CB 2.325 32.273 29.762 0.310 0.000 1.566 151 H HN 0.859 nan 8.280 nan 0.000 0.522 152 L N 1.904 123.033 121.223 -0.156 0.000 2.455 152 L HA 0.408 4.748 4.340 -0.000 0.000 0.264 152 L C -1.870 174.715 176.870 -0.475 0.000 0.968 152 L CA -0.507 54.248 54.840 -0.141 0.000 0.827 152 L CB 1.870 43.788 42.059 -0.235 0.000 1.317 152 L HN 0.502 nan 8.230 nan 0.000 0.407 153 W N 4.029 125.301 121.300 -0.046 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 -0.113 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 -0.044 0.000 1.426 153 W HN 0.689 nan 8.180 nan 0.000 0.529 154 C N 4.730 124.112 119.300 0.138 0.000 2.446 154 C HA 0.294 4.754 4.460 -0.000 0.000 0.329 154 C C 0.014 175.112 174.990 0.181 0.000 1.166 154 C CA -0.430 58.644 59.018 0.093 0.000 1.341 154 C CB -0.613 27.096 27.740 -0.052 0.000 1.970 154 C HN 0.795 nan 8.230 nan 0.000 0.452 155 N N 3.867 122.638 118.700 0.118 0.000 2.725 155 N HA -0.183 4.557 4.740 -0.000 0.000 0.251 155 N C 1.010 176.582 175.510 0.103 0.000 1.031 155 N CA 2.014 55.110 53.050 0.078 0.000 0.720 155 N CB -1.287 37.246 38.487 0.077 0.000 0.930 155 N HN 1.895 nan 8.380 nan 0.000 0.543 156 G N -1.206 107.640 108.800 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 0.661 45.800 45.100 0.065 0.000 0.625 156 G HN 0.576 nan 8.290 nan 0.000 0.532 157 R N -0.727 120.014 120.500 0.402 0.000 2.297 157 R HA 0.432 4.772 4.340 -0.000 0.000 0.308 157 R C -0.051 176.570 176.300 0.534 0.000 1.029 157 R CA -0.872 55.543 56.100 0.525 0.000 0.929 157 R CB 0.607 31.234 30.300 0.545 0.000 1.046 157 R HN 0.260 nan 8.270 nan 0.000 0.461 158 W N 4.104 125.552 121.300 0.246 0.000 2.251 158 W HA 0.070 4.730 4.660 -0.000 0.000 0.327 158 W C -0.066 176.287 176.519 -0.276 0.000 1.361 158 W CA 0.055 57.121 57.345 -0.466 0.000 1.234 158 W CB 0.626 29.839 29.460 -0.412 0.000 1.212 158 W HN 0.349 nan 8.180 nan 0.000 0.557 159 V N 4.954 123.940 119.914 -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 -1.751 0.000 1.159 159 V CA 0.848 62.339 62.300 -1.349 0.000 1.194 159 V CB -0.331 30.792 31.823 -1.167 0.000 0.971 159 V HN 0.788 nan 8.190 nan 0.000 0.494 160 G N -1.697 105.905 108.800 -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 -0.455 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 -0.684 119.501 120.300 -0.192 0.000 2.588 161 Y HA 0.725 5.275 4.550 -0.000 0.000 0.343 161 Y C -0.075 175.664 175.900 -0.269 0.000 1.065 161 Y CA -0.086 57.811 58.100 -0.338 0.000 1.038 161 Y CB 2.261 40.636 38.460 -0.142 0.000 1.297 161 Y HN 1.260 nan 8.280 nan 0.000 0.467 162 G N 3.088 111.109 108.800 -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 -0.938 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 -0.218 119.384 119.800 -0.329 0.000 2.587 163 Q HA 0.613 4.953 4.340 -0.000 0.000 0.293 163 Q C -1.401 174.595 176.000 -0.007 0.000 1.083 163 Q CA -0.892 54.832 55.803 -0.131 0.000 0.792 163 Q CB 2.796 31.503 28.738 -0.053 0.000 1.484 163 Q HN 0.670 nan 8.270 nan 0.000 0.446 164 D N -0.121 120.313 120.400 0.057 0.000 4.370 164 D HA -0.101 4.539 4.640 -0.000 0.000 0.238 164 D C -0.330 176.030 176.300 0.099 0.000 1.104 164 D CA 0.667 54.718 54.000 0.084 0.000 1.101 164 D CB -0.684 40.153 40.800 0.062 0.000 0.749 164 D HN 0.568 nan 8.370 nan 0.000 0.351 165 S N 3.454 119.230 115.700 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 0.027 120.613 120.500 0.143 0.000 2.334 166 R HA 0.406 4.746 4.340 -0.000 0.000 0.212 166 R C 0.044 176.399 176.300 0.092 0.000 0.897 166 R CA 0.095 56.279 56.100 0.139 0.000 1.056 166 R CB -0.067 30.336 30.300 0.171 0.000 1.046 166 R HN 0.368 nan 8.270 nan 0.000 0.513 167 L N 1.336 122.592 121.223 0.055 0.000 2.303 167 L HA 0.479 4.819 4.340 -0.000 0.000 0.266 167 L C -2.295 174.562 176.870 -0.022 0.000 1.011 167 L CA -2.412 52.434 54.840 0.009 0.000 0.818 167 L CB 1.836 43.893 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 0.271 168 P C -1.120 176.165 177.300 -0.025 0.000 1.218 168 P CA -0.180 62.889 63.100 -0.052 0.000 0.780 168 P CB 0.877 32.509 31.700 -0.113 0.000 0.901 169 S N 1.415 117.158 115.700 0.072 0.000 2.502 169 S HA 0.384 4.854 4.470 -0.000 0.000 0.304 169 S C -0.638 173.985 174.600 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 0.347 nan 8.310 nan 0.000 0.481 170 E N 1.913 121.933 120.200 -0.300 0.000 2.266 170 E HA 0.648 4.998 4.350 -0.000 0.000 0.268 170 E C -1.514 174.774 176.600 -0.521 0.000 0.879 170 E CA -0.669 55.616 56.400 -0.192 0.000 0.762 170 E CB 1.689 31.373 29.700 -0.027 0.000 1.199 170 E HN 0.412 nan 8.360 nan 0.000 0.422 171 F N 0.062 120.063 119.950 0.086 0.000 2.588 171 F HA 0.265 4.792 4.527 -0.000 0.000 0.310 171 F C -0.208 175.616 175.800 0.039 0.000 1.082 171 F CA -1.305 56.720 58.000 0.041 0.000 0.929 171 F CB 1.195 40.186 39.000 -0.014 0.000 1.254 171 F HN 0.248 nan 8.300 nan 0.000 0.455 172 D N 2.171 122.726 120.400 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 0.193 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 2.531 123.880 121.223 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 -0.077 42.102 42.059 0.200 0.000 0.994 173 L HN 0.340 nan 8.230 nan 0.000 0.462 174 S N 1.125 116.997 115.700 0.287 0.000 2.461 174 S HA -0.365 4.104 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 2.128 60.462 58.200 0.224 0.000 1.146 174 S CB -0.316 62.973 63.200 0.148 0.000 1.042 174 S HN 0.588 nan 8.310 nan 0.000 0.448 175 A N -1.001 121.951 122.820 0.220 0.000 2.278 175 A HA 0.419 4.739 4.320 -0.000 0.000 0.212 175 A C 0.961 178.446 177.584 -0.166 0.000 1.213 175 A CA 0.148 52.162 52.037 -0.038 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 -1.056 118.933 119.950 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 0.053 0.000 1.091 176 F CA -0.678 57.356 58.000 0.058 0.000 1.192 176 F CB -0.034 39.003 39.000 0.063 0.000 1.056 176 F HN -0.063 nan 8.300 nan 0.000 0.571 177 L N 1.818 123.207 121.223 0.278 0.000 2.417 177 L HA 0.423 4.763 4.340 -0.000 0.000 0.268 177 L C 0.259 177.182 176.870 0.087 0.000 1.158 177 L CA -0.207 54.733 54.840 0.167 0.000 0.819 177 L CB 0.789 42.966 42.059 0.196 0.000 1.112 177 L HN 0.020 nan 8.230 nan 0.000 0.458 178 R N 1.255 121.769 120.500 0.022 0.000 2.854 178 R HA 0.685 5.025 4.340 -0.000 0.000 0.271 178 R C -0.687 175.591 176.300 -0.036 0.000 0.996 178 R CA -0.943 55.152 56.100 -0.009 0.000 0.961 178 R CB 1.841 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 0.906 123.708 122.820 -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 0.840 52.849 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 45.385 45.100 -0.129 0.000 0.960 180 G HN 1.005 nan 8.290 nan 0.000 0.544 181 E N 2.410 122.497 120.200 -0.189 0.000 2.265 181 E HA 0.267 4.617 4.350 -0.000 0.000 0.272 181 E C -0.063 176.336 176.600 -0.335 0.000 1.067 181 E CA -0.031 56.220 56.400 -0.249 0.000 0.900 181 E CB 0.010 29.611 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 -0.619 0.000 2.328 182 N HA 0.415 5.155 4.740 -0.000 0.000 0.299 182 N C -0.758 174.431 175.510 -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 40.152 38.487 -0.903 0.000 1.366 182 N HN 0.287 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 0.119 0.000 1.008 183 R CA -0.476 55.624 56.100 0.000 0.000 0.896 183 R CB 1.064 31.326 30.300 -0.064 0.000 1.187 183 R HN 0.509 nan 8.270 nan 0.000 0.440 184 L N 2.940 124.296 121.223 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 0.207 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 3.224 126.136 122.820 0.153 0.000 2.375 185 A HA 0.687 5.007 4.320 -0.000 0.000 0.291 185 A C -0.869 177.026 177.584 0.519 0.000 1.160 185 A CA -0.441 51.628 52.037 0.053 0.000 0.747 185 A CB 1.333 19.756 19.000 -0.961 0.000 1.170 185 A HN 0.390 nan 8.150 nan 0.000 0.458 186 V N 3.431 123.818 119.914 0.789 0.000 2.357 186 V HA 0.485 4.605 4.120 -0.000 0.000 0.284 186 V C 0.114 176.708 176.094 0.835 0.000 1.018 186 V CA -0.313 62.432 62.300 0.741 0.000 0.841 186 V CB 1.345 33.426 31.823 0.430 0.000 0.991 186 V HN 0.948 nan 8.190 nan 0.000 0.437 187 M N 6.118 126.211 119.600 0.821 0.000 2.088 187 M HA 0.600 5.080 4.480 -0.000 0.000 0.346 187 M C -1.437 175.118 176.300 0.424 0.000 1.111 187 M CA -0.331 55.286 55.300 0.528 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 6.736 126.840 119.914 0.317 0.000 2.483 188 V HA 0.502 4.622 4.120 -0.000 0.000 0.295 188 V C -0.208 176.037 176.094 0.251 0.000 1.035 188 V CA -0.775 61.704 62.300 0.298 0.000 0.896 188 V CB 1.569 33.590 31.823 0.330 0.000 0.986 188 V HN 0.816 nan 8.190 nan 0.000 0.447 189 L N 3.090 124.405 121.223 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 -0.782 54.077 54.840 0.031 0.000 0.815 189 L CB 1.567 43.541 42.059 -0.142 0.000 1.268 189 L HN 0.468 nan 8.230 nan 0.000 0.428 190 R N 1.609 121.970 120.500 -0.230 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 1.754 57.422 56.100 -0.720 0.000 0.928 190 R CB 0.063 29.590 30.300 -1.289 0.000 0.834 190 R HN 0.628 nan 8.270 nan 0.000 0.429 191 W N 0.295 121.649 121.300 0.091 0.000 2.449 191 W HA 0.319 4.979 4.660 -0.000 0.000 0.331 191 W C 0.062 176.691 176.519 0.182 0.000 1.119 191 W CA -0.787 56.621 57.345 0.106 0.000 1.240 191 W CB 1.310 30.834 29.460 0.108 0.000 1.251 191 W HN 0.084 nan 8.180 nan 0.000 0.576 192 S N -1.009 114.975 115.700 0.474 0.000 2.643 192 S HA 0.204 4.674 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 -0.510 57.976 58.200 0.477 0.000 0.815 192 S CB 1.231 64.670 63.200 0.398 0.000 1.139 192 S HN 0.614 nan 8.310 nan 0.000 0.472 193 D N 0.565 121.213 120.400 0.414 0.000 2.218 193 D HA 0.062 4.702 4.640 -0.000 0.000 0.204 193 D C 1.840 178.434 176.300 0.490 0.000 0.976 193 D CA 1.196 55.473 54.000 0.461 0.000 0.853 193 D CB -0.799 40.160 40.800 0.265 0.000 0.939 193 D HN 0.712 nan 8.370 nan 0.000 0.481 194 G N 0.098 109.110 108.800 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 1.742 176.817 174.900 0.293 0.000 1.121 194 G CA 0.875 46.154 45.100 0.300 0.000 0.758 194 G HN 0.316 nan 8.290 nan 0.000 0.559 195 S N -0.108 115.756 115.700 0.273 0.000 2.383 195 S HA -0.119 4.351 4.470 -0.000 0.000 0.229 195 S C 1.955 176.654 174.600 0.166 0.000 1.030 195 S CA 0.940 59.265 58.200 0.209 0.000 1.002 195 S CB -0.424 62.897 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 0.026 4.576 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 0.620 58.739 58.100 0.032 0.000 1.289 196 Y CB -0.218 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 -0.011 121.402 121.223 0.318 0.000 2.700 197 L HA 0.121 4.461 4.340 -0.000 0.000 0.234 197 L C -0.003 177.010 176.870 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 -0.475 119.884 120.200 0.266 0.000 3.646 198 E HA 0.045 4.395 4.350 -0.000 0.000 0.211 198 E C -0.444 176.279 176.600 0.204 0.000 1.034 198 E CA -0.095 56.446 56.400 0.235 0.000 1.341 198 E CB 0.470 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 1.385 121.872 120.400 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 0.006 0.000 1.192 199 D CA -0.010 53.964 54.000 -0.045 0.000 0.835 199 D CB 0.065 40.602 40.800 -0.437 0.000 0.975 199 D HN 0.082 nan 8.370 nan 0.000 0.490 200 Q N 0.510 120.399 119.800 0.149 0.000 2.361 200 Q HA 0.070 4.410 4.340 -0.000 0.000 0.276 200 Q C -0.037 176.084 176.000 0.202 0.000 1.022 200 Q CA 0.169 56.123 55.803 0.252 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 3.395 123.945 120.400 0.251 0.000 2.489 201 D HA 0.137 4.777 4.640 -0.000 0.000 0.237 201 D C -0.788 175.694 176.300 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 40.546 40.800 0.268 0.000 1.098 201 D HN 0.482 nan 8.370 nan 0.000 0.509 202 M N 0.085 119.807 119.600 0.203 0.000 3.008 202 M HA 0.453 4.933 4.480 -0.000 0.000 0.271 202 M C -1.206 175.201 176.300 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 1.972 123.359 121.300 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 -0.277 57.134 57.345 0.111 0.000 1.213 203 W CB 0.549 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 5.003 125.687 120.500 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 -0.191 56.009 56.100 0.167 0.000 0.887 204 R CB 0.244 30.686 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 -0.136 175.852 176.300 -0.520 0.000 1.013 205 M CA -0.727 54.377 55.300 -0.326 0.000 0.994 205 M CB 1.995 34.389 32.600 -0.343 0.000 1.585 205 M HN 0.658 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 0.849 5.319 4.470 -0.000 0.000 0.270 206 S C -0.629 173.547 174.600 -0.707 0.000 1.131 206 S CA -0.328 57.368 58.200 -0.840 0.000 0.826 206 S CB 1.446 63.957 63.200 -1.148 0.000 1.095 206 S HN 1.427 nan 8.310 nan 0.000 0.461 207 G N 0.243 108.837 108.800 -0.344 0.000 2.318 207 G HA2 0.156 4.116 3.960 -0.000 0.000 0.367 207 G HA3 0.156 4.116 3.960 -0.000 0.000 0.367 207 G C -1.506 173.386 174.900 -0.012 0.000 1.260 207 G CA -0.542 44.582 45.100 0.041 0.000 1.055 207 G HN 1.235 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 1.011 177.008 176.117 -0.201 0.000 1.107 208 I CA -0.309 60.769 61.300 -0.370 0.000 1.219 208 I CB -0.033 37.543 38.000 -0.706 0.000 1.455 208 I HN 0.514 nan 8.210 nan 0.000 0.498 209 F N 3.973 123.792 119.950 -0.218 0.000 2.727 209 F HA 0.427 4.954 4.527 -0.000 0.000 0.302 209 F C 0.696 176.432 175.800 -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 0.681 120.781 120.500 -0.666 0.000 2.912 210 R HA 0.260 4.600 4.340 -0.000 0.000 0.262 210 R C -1.002 175.135 176.300 -0.272 0.000 1.057 210 R CA -1.158 54.701 56.100 -0.401 0.000 0.981 210 R CB 0.561 30.610 30.300 -0.418 0.000 1.201 210 R HN -0.032 nan 8.270 nan 0.000 0.484 211 D N 0.778 121.081 120.400 -0.162 0.000 2.474 211 D HA 0.091 4.731 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 0.433 54.356 54.000 -0.129 0.000 0.876 211 D CB 0.404 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 0.928 120.748 119.914 -0.157 0.000 2.540 212 V HA 0.652 4.772 4.120 -0.000 0.000 0.302 212 V C -0.143 175.857 176.094 -0.156 0.000 1.035 212 V CA -0.591 61.570 62.300 -0.231 0.000 0.873 212 V CB 1.608 33.307 31.823 -0.207 0.000 0.992 212 V HN 0.752 nan 8.190 nan 0.000 0.428 213 S N 4.489 120.058 115.700 -0.219 0.000 2.625 213 S HA 0.827 5.297 4.470 -0.000 0.000 0.271 213 S C -1.247 173.305 174.600 -0.081 0.000 1.161 213 S CA -0.953 57.184 58.200 -0.106 0.000 0.820 213 S CB 1.923 65.090 63.200 -0.055 0.000 1.137 213 S HN 0.469 nan 8.310 nan 0.000 0.470 214 L N 1.301 122.542 121.223 0.030 0.000 2.386 214 L HA 0.697 5.037 4.340 -0.000 0.000 0.271 214 L C -1.589 175.391 176.870 0.183 0.000 0.993 214 L CA -0.790 54.133 54.840 0.138 0.000 0.819 214 L CB 1.867 44.096 42.059 0.283 0.000 1.294 214 L HN 0.672 nan 8.230 nan 0.000 0.414 215 L N 2.396 123.687 121.223 0.112 0.000 2.409 215 L HA 0.488 4.828 4.340 -0.000 0.000 0.272 215 L C -1.058 175.717 176.870 -0.158 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 -1.157 173.884 175.328 -0.478 0.000 1.057 216 H CA -0.141 55.418 56.048 -0.816 0.000 1.264 216 H CB 0.962 29.634 29.762 -1.815 0.000 1.404 216 H HN 0.617 nan 8.280 nan 0.000 0.462 217 K N 5.425 125.331 120.400 -0.823 0.000 2.435 217 K HA 0.418 4.738 4.320 -0.000 0.000 0.251 217 K C -2.741 173.505 176.600 -0.589 0.000 0.954 217 K CA -2.461 53.490 56.287 -0.560 0.000 0.820 217 K CB 1.808 34.089 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 -0.099 62.851 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 -2.975 111.488 114.554 -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 1.183 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 -0.337 174.270 174.700 -0.154 0.000 1.059 220 T CA -0.785 61.231 62.100 -0.140 0.000 0.954 220 T CB 0.713 69.505 68.868 -0.127 0.000 0.994 220 T HN 0.557 nan 8.240 nan 0.000 0.479 221 Q N 2.782 122.474 119.800 -0.179 0.000 2.683 221 Q HA 0.583 4.923 4.340 -0.000 0.000 0.302 221 Q C -1.031 174.849 176.000 -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 29.986 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 0.984 176.902 176.117 -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 3.127 118.747 115.700 -0.133 0.000 2.503 223 S HA 0.128 4.598 4.470 -0.000 0.000 0.217 223 S C 0.264 174.998 174.600 0.223 0.000 0.999 223 S CA -0.105 58.061 58.200 -0.057 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 -0.609 119.966 120.400 0.292 0.000 2.766 224 D HA 0.440 5.080 4.640 -0.000 0.000 0.244 224 D C -1.768 174.756 176.300 0.372 0.000 1.198 224 D CA -0.698 53.558 54.000 0.427 0.000 0.739 224 D CB 1.126 42.059 40.800 0.221 0.000 1.379 224 D HN 0.248 nan 8.370 nan 0.000 0.437 225 F N -0.431 119.563 119.950 0.074 0.000 2.678 225 F HA 0.705 5.232 4.527 -0.000 0.000 0.308 225 F C -1.540 174.287 175.800 0.044 0.000 1.118 225 F CA -0.785 57.163 58.000 -0.086 0.000 0.959 225 F CB 1.409 40.418 39.000 0.016 0.000 1.305 225 F HN 0.299 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 -1.367 173.949 175.328 -0.020 0.000 1.151 226 H CA -1.520 54.457 56.048 -0.119 0.000 1.165 226 H CB 2.687 32.400 29.762 -0.082 0.000 1.722 226 H HN 0.616 nan 8.280 nan 0.000 0.543 227 V N 1.167 121.127 119.914 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 61.729 62.300 0.021 0.000 0.952 227 V CB 1.680 33.494 31.823 -0.015 0.000 1.020 227 V HN 0.973 nan 8.190 nan 0.000 0.439 228 A N 1.972 124.750 122.820 -0.069 0.000 2.547 228 A HA 0.831 5.150 4.320 -0.000 0.000 0.297 228 A C -0.481 177.012 177.584 -0.151 0.000 1.056 228 A CA -0.391 51.592 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 -0.376 174.157 174.700 -0.279 0.000 0.993 229 T CA -0.694 61.241 62.100 -0.275 0.000 0.970 229 T CB 1.262 69.927 68.868 -0.339 0.000 0.950 229 T HN 0.703 nan 8.240 nan 0.000 0.441 230 R N 1.645 121.879 120.500 -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 31.826 30.300 -0.134 0.000 1.175 230 R HN 0.555 nan 8.270 nan 0.000 0.464 231 F N 0.064 120.005 119.950 -0.014 0.000 2.640 231 F HA 0.361 4.888 4.527 -0.000 0.000 0.324 231 F C 0.364 176.044 175.800 -0.200 0.000 1.077 231 F CA -1.271 56.668 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 -0.209 118.489 118.700 -0.004 0.000 2.327 232 N HA 0.085 4.825 4.740 -0.000 0.000 0.257 232 N C 0.488 175.851 175.510 -0.246 0.000 1.281 232 N CA -0.215 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 -1.553 118.745 120.400 -0.169 0.000 2.265 233 D HA -0.227 4.413 4.640 -0.000 0.000 0.208 233 D C 0.111 176.278 176.300 -0.221 0.000 0.977 233 D CA 1.351 55.241 54.000 -0.183 0.000 0.871 233 D CB -0.421 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 -1.495 118.809 120.400 -0.161 0.000 2.513 234 D HA -0.002 4.638 4.640 -0.000 0.000 0.222 234 D C 0.244 176.664 176.300 0.200 0.000 1.210 234 D CA -0.858 53.172 54.000 0.049 0.000 0.825 234 D CB -1.071 39.781 40.800 0.087 0.000 1.037 234 D HN 0.162 nan 8.370 nan 0.000 0.506 235 F N 0.716 120.724 119.950 0.097 0.000 3.006 235 F HA -0.301 4.226 4.527 -0.000 0.000 0.289 235 F C 1.786 177.668 175.800 0.136 0.000 0.772 235 F CA 0.801 58.881 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 -0.416 115.394 115.700 0.183 0.000 2.522 236 S HA 0.121 4.591 4.470 -0.000 0.000 0.227 236 S C 0.701 175.356 174.600 0.092 0.000 0.986 236 S CA 0.752 59.027 58.200 0.124 0.000 0.929 236 S CB 0.357 63.604 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 -1.708 174.615 176.300 0.038 0.000 1.070 237 R CA -0.042 56.085 56.100 0.046 0.000 0.909 237 R CB 1.371 31.675 30.300 0.007 0.000 1.243 237 R HN 0.232 nan 8.270 nan 0.000 0.455 238 A N 2.489 125.270 122.820 -0.065 0.000 2.479 238 A HA 0.787 5.107 4.320 -0.000 0.000 0.296 238 A C -1.451 176.039 177.584 -0.156 0.000 1.121 238 A CA -0.677 51.236 52.037 -0.206 0.000 0.743 238 A CB 2.227 21.074 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 -1.033 175.003 176.094 -0.096 0.000 1.027 239 V CA -0.468 61.762 62.300 -0.117 0.000 0.855 239 V CB 1.357 33.113 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 -0.121 176.711 176.870 -0.063 0.000 1.046 240 L CA 0.180 54.984 54.840 -0.060 0.000 0.805 240 L CB 1.197 43.243 42.059 -0.022 0.000 1.193 240 L HN 0.857 nan 8.230 nan 0.000 0.426 241 E N 4.826 124.983 120.200 -0.071 0.000 2.218 241 E HA 0.752 5.102 4.350 -0.000 0.000 0.263 241 E C -1.792 174.796 176.600 -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 31.238 29.700 -0.047 0.000 1.166 241 E HN 0.844 nan 8.360 nan 0.000 0.415 242 A N 4.385 127.199 122.820 -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 2.329 122.529 120.200 0.000 0.000 2.176 243 E HA 0.575 4.925 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 1.600 31.235 29.700 -0.108 0.000 1.133 243 E HN 0.410 nan 8.360 nan 0.000 0.409 244 V N 4.270 124.134 119.914 -0.082 0.000 2.604 244 V HA 0.362 4.482 4.120 -0.000 0.000 0.305 244 V C -0.499 175.623 176.094 0.046 0.000 1.043 244 V CA -0.808 61.480 62.300 -0.019 0.000 0.888 244 V CB 1.772 33.557 31.823 -0.063 0.000 0.995 244 V HN 0.694 nan 8.190 nan 0.000 0.429 245 Q N 4.132 123.986 119.800 0.090 0.000 2.377 245 Q HA 0.824 5.164 4.340 -0.000 0.000 0.271 245 Q C -0.848 175.230 176.000 0.131 0.000 1.077 245 Q CA -0.856 55.028 55.803 0.135 0.000 0.820 245 Q CB 2.845 31.593 28.738 0.018 0.000 1.347 245 Q HN 0.847 nan 8.270 nan 0.000 0.444 246 M N -0.877 118.757 119.600 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 54.790 55.300 -0.136 0.000 0.916 246 M CB 2.039 34.362 32.600 -0.462 0.000 1.717 246 M HN 0.560 nan 8.290 nan 0.000 0.470 247 C N 1.427 120.620 119.300 -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 1.031 28.703 27.740 -0.114 0.000 2.275 247 C HN 1.354 nan 8.230 nan 0.000 0.492 248 G N 3.392 112.105 108.800 -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 -0.338 119.784 120.200 -0.130 0.000 2.166 249 E HA 0.712 5.062 4.350 -0.000 0.000 0.275 249 E C 0.020 176.514 176.600 -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 3.492 124.599 121.223 -0.193 0.000 2.455 250 L HA 0.257 4.597 4.340 -0.000 0.000 0.272 250 L C -0.069 176.678 176.870 -0.206 0.000 1.174 250 L CA 0.147 54.843 54.840 -0.241 0.000 0.869 250 L CB 0.227 42.165 42.059 -0.203 0.000 1.130 250 L HN 0.476 nan 8.230 nan 0.000 0.474 251 R N 2.682 122.999 120.500 -0.306 0.000 2.548 251 R HA 0.115 4.455 4.340 -0.000 0.000 0.280 251 R C 0.064 176.139 176.300 -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 31.480 30.300 -0.682 0.000 1.210 251 R HN 0.713 nan 8.270 nan 0.000 0.442 252 D N 1.780 122.102 120.400 -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 1.462 55.447 54.000 -0.026 0.000 0.931 252 D CB -0.052 40.785 40.800 0.061 0.000 0.889 252 D HN 0.715 nan 8.370 nan 0.000 0.512 253 Y N -0.692 119.612 120.300 0.007 0.000 2.457 253 Y HA 0.394 4.944 4.550 -0.000 0.000 0.263 253 Y C 0.956 176.856 175.900 -0.001 0.000 1.164 253 Y CA -0.938 57.167 58.100 0.008 0.000 1.274 253 Y CB -0.321 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 2.944 123.983 121.223 -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 2.076 122.427 120.500 -0.248 0.000 2.799 255 R HA 0.750 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 55.025 56.100 -0.403 0.000 0.916 255 R CB 2.388 32.416 30.300 -0.454 0.000 1.228 255 R HN 0.283 nan 8.270 nan 0.000 0.469 256 V N 0.789 120.480 119.914 -0.371 0.000 2.686 256 V HA 0.489 4.609 4.120 -0.000 0.000 0.306 256 V C -0.617 175.455 176.094 -0.037 0.000 1.065 256 V CA -0.609 61.551 62.300 -0.233 0.000 0.894 256 V CB 2.420 34.031 31.823 -0.353 0.000 1.004 256 V HN 0.788 nan 8.190 nan 0.000 0.424 257 T N 3.578 118.187 114.554 0.092 0.000 2.861 257 T HA 0.721 5.071 4.350 -0.000 0.000 0.287 257 T C -0.854 173.852 174.700 0.011 0.000 1.003 257 T CA -0.536 61.615 62.100 0.084 0.000 0.977 257 T CB 1.924 70.877 68.868 0.142 0.000 0.996 257 T HN 0.374 nan 8.240 nan 0.000 0.448 258 V N 3.061 122.966 119.914 -0.015 0.000 2.577 258 V HA 0.695 4.815 4.120 -0.000 0.000 0.303 258 V C -0.440 175.638 176.094 -0.027 0.000 1.042 258 V CA -0.870 61.416 62.300 -0.023 0.000 0.872 258 V CB 1.869 33.669 31.823 -0.040 0.000 0.998 258 V HN 1.077 nan 8.190 nan 0.000 0.423 259 S N 5.036 120.736 115.700 0.001 0.000 2.526 259 S HA 0.863 5.333 4.470 -0.000 0.000 0.293 259 S C -1.140 173.434 174.600 -0.044 0.000 1.092 259 S CA -0.770 57.387 58.200 -0.071 0.000 0.980 259 S CB 2.385 65.578 63.200 -0.011 0.000 1.048 259 S HN 0.474 nan 8.310 nan 0.000 0.483 260 L N 2.103 123.191 121.223 -0.225 0.000 2.322 260 L HA 0.732 5.072 4.340 -0.000 0.000 0.281 260 L C -1.840 174.863 176.870 -0.279 0.000 1.014 260 L CA -0.459 54.327 54.840 -0.089 0.000 0.815 260 L CB 0.799 42.831 42.059 -0.045 0.000 1.247 260 L HN 0.891 nan 8.230 nan 0.000 0.421 261 W N 3.271 124.667 121.300 0.158 0.000 2.736 261 W HA 0.574 5.234 4.660 -0.000 0.000 0.335 261 W C -0.489 176.159 176.519 0.214 0.000 1.059 261 W CA -0.580 56.853 57.345 0.147 0.000 1.226 261 W CB 1.620 31.122 29.460 0.070 0.000 1.416 261 W HN 0.434 nan 8.180 nan 0.000 0.505 262 Q N 2.667 122.717 119.800 0.416 0.000 2.644 262 Q HA 0.494 4.834 4.340 -0.000 0.000 0.245 262 Q C 0.682 176.773 176.000 0.151 0.000 1.064 262 Q CA 0.598 56.499 55.803 0.164 0.000 0.860 262 Q CB 0.344 29.132 28.738 0.084 0.000 1.145 262 Q HN 0.733 nan 8.270 nan 0.000 0.515 263 G N 2.324 111.206 108.800 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 0.666 175.638 174.900 0.119 0.000 1.181 263 G CA 0.322 45.468 45.100 0.077 0.000 0.963 263 G HN 0.516 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 0.195 4.545 4.350 -0.000 0.000 0.194 264 E C 1.262 178.082 176.600 0.367 0.000 1.013 264 E CA 0.925 57.409 56.400 0.140 0.000 0.866 264 E CB -0.124 29.624 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 -0.349 61.931 62.100 0.300 0.000 1.060 265 T CB 1.589 70.536 68.868 0.132 0.000 0.927 265 T HN -0.069 nan 8.240 nan 0.000 0.485 266 Q N 2.863 122.513 119.800 -0.250 0.000 2.296 266 Q HA 0.287 4.627 4.340 -0.000 0.000 0.257 266 Q C 0.317 176.042 176.000 -0.459 0.000 0.942 266 Q CA -0.397 54.780 55.803 -1.044 0.000 0.939 266 Q CB 0.928 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 2.308 121.995 119.914 -0.379 0.000 2.685 267 V HA 0.333 4.453 4.120 -0.000 0.000 0.244 267 V C 0.419 176.402 176.094 -0.184 0.000 1.054 267 V CA 0.964 63.165 62.300 -0.164 0.000 1.076 267 V CB 0.096 31.914 31.823 -0.009 0.000 0.725 267 V HN 0.761 nan 8.190 nan 0.000 0.467 268 A N -1.203 121.464 122.820 -0.256 0.000 2.599 268 A HA 0.750 5.070 4.320 -0.000 0.000 0.294 268 A C -0.819 176.635 177.584 -0.216 0.000 1.055 268 A CA -0.048 51.873 52.037 -0.194 0.000 0.683 268 A CB 1.737 20.660 19.000 -0.129 0.000 1.278 268 A HN 0.029 nan 8.150 nan 0.000 0.412 269 S N -1.076 114.530 115.700 -0.157 0.000 2.579 269 S HA 0.895 5.365 4.470 -0.000 0.000 0.272 269 S C -0.491 174.059 174.600 -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 2.314 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 0.595 4.555 3.960 -0.000 0.000 0.297 270 G HA3 0.595 4.555 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 -0.201 114.338 114.554 -0.025 0.000 2.900 271 T HA 0.910 5.260 4.350 -0.000 0.000 0.295 271 T C -0.169 174.506 174.700 -0.041 0.000 1.044 271 T CA 0.090 62.186 62.100 -0.007 0.000 0.995 271 T CB 1.869 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 2.917 125.688 122.820 -0.083 0.000 2.566 272 A HA 0.914 5.234 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 -1.416 50.551 52.037 -0.116 0.000 0.658 272 A CB 1.149 20.070 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 -0.772 176.441 177.300 -0.145 0.000 1.300 273 P CA -0.482 62.552 63.100 -0.110 0.000 0.900 273 P CB 0.590 32.275 31.700 -0.024 0.000 1.139 274 F N 0.828 120.728 119.950 -0.083 0.000 2.535 274 F HA 0.414 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 1.924 59.886 58.000 -0.062 0.000 1.330 274 F CB -0.189 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 0.955 109.880 108.800 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 44.383 45.100 0.126 0.000 1.013 275 G HN 1.060 nan 8.290 nan 0.000 0.530 276 G N 0.632 109.492 108.800 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 0.062 174.994 174.900 0.055 0.000 1.310 276 G CA -0.323 44.828 45.100 0.084 0.000 1.027 276 G HN 0.896 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 0.797 30.510 29.700 0.022 0.000 1.044 277 E HN 0.232 nan 8.360 nan 0.000 0.420 278 I N 1.696 122.273 120.570 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 61.880 61.300 -0.001 0.000 1.430 278 I CB 0.145 38.141 38.000 -0.007 0.000 1.367 278 I HN 0.651 nan 8.210 nan 0.000 0.577 279 I N 1.181 121.748 120.570 -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 61.777 61.300 0.011 0.000 1.315 279 I CB 0.134 38.164 38.000 0.051 0.000 1.223 279 I HN 0.618 nan 8.210 nan 0.000 0.441 280 D N -0.547 119.837 120.400 -0.027 0.000 2.946 280 D HA 0.207 4.847 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 0.250 41.036 40.800 -0.023 0.000 1.440 280 D HN -0.086 nan 8.370 nan 0.000 0.540 281 E N -0.824 119.361 120.200 -0.025 0.000 2.209 281 E HA -0.076 4.274 4.350 -0.000 0.000 0.196 281 E C 1.591 178.172 176.600 -0.032 0.000 0.993 281 E CA 1.174 57.559 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 -0.469 120.004 120.500 -0.046 0.000 2.276 282 R HA 0.224 4.564 4.340 -0.000 0.000 0.196 282 R C 0.881 177.138 176.300 -0.071 0.000 0.961 282 R CA 0.699 56.765 56.100 -0.057 0.000 1.024 282 R CB 0.727 30.987 30.300 -0.067 0.000 0.940 282 R HN 0.213 nan 8.270 nan 0.000 0.480 283 G N -0.500 108.256 108.800 -0.073 0.000 2.295 283 G HA2 -0.078 3.882 3.960 -0.000 0.000 0.195 283 G HA3 -0.078 3.882 3.960 -0.000 0.000 0.195 283 G C -0.348 174.490 174.900 -0.104 0.000 1.269 283 G CA -0.639 44.417 45.100 -0.073 0.000 1.170 283 G HN 0.401 nan 8.290 nan 0.000 0.511 284 G N -1.812 106.922 108.800 -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 0.769 121.082 120.300 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 0.018 58.137 58.100 0.031 0.000 1.180 285 Y CB 1.875 40.359 38.460 0.041 0.000 1.138 285 Y HN 0.525 nan 8.280 nan 0.000 0.510 286 A N 1.849 124.750 122.820 0.135 0.000 1.968 286 A HA -0.138 4.182 4.320 -0.000 0.000 0.217 286 A C 1.278 178.950 177.584 0.147 0.000 1.169 286 A CA 1.493 53.592 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 0.787 nan 8.150 nan 0.000 0.446 287 D N -0.522 119.964 120.400 0.144 0.000 2.491 287 D HA 0.166 4.806 4.640 -0.000 0.000 0.228 287 D C 0.331 176.808 176.300 0.295 0.000 1.183 287 D CA -0.131 53.894 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 -0.952 119.820 120.500 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 2.818 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 -1.610 174.392 176.094 -0.152 0.000 1.251 289 V CA -0.249 61.937 62.300 -0.189 0.000 0.972 289 V CB 2.715 34.259 31.823 -0.466 0.000 1.065 289 V HN 0.833 nan 8.190 nan 0.000 0.431 290 T N 7.312 121.803 114.554 -0.105 0.000 2.812 290 T HA 0.750 5.100 4.350 -0.000 0.000 0.282 290 T C -0.971 173.682 174.700 -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 2.923 124.102 121.223 -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 -0.684 54.116 54.840 -0.067 0.000 0.816 291 L CB 1.232 43.246 42.059 -0.074 0.000 1.287 291 L HN 0.415 nan 8.230 nan 0.000 0.435 292 R N 2.832 123.302 120.500 -0.050 0.000 2.451 292 R HA 0.660 5.000 4.340 -0.000 0.000 0.307 292 R C -1.499 174.771 176.300 -0.050 0.000 0.965 292 R CA -0.617 55.455 56.100 -0.048 0.000 0.865 292 R CB 1.462 31.735 30.300 -0.046 0.000 1.174 292 R HN 0.477 nan 8.270 nan 0.000 0.455 293 L N 2.619 123.813 121.223 -0.049 0.000 2.307 293 L HA 0.460 4.800 4.340 -0.000 0.000 0.284 293 L C 0.055 176.893 176.870 -0.053 0.000 1.023 293 L CA -0.944 53.865 54.840 -0.051 0.000 0.810 293 L CB 1.494 43.522 42.059 -0.051 0.000 1.231 293 L HN 0.467 nan 8.230 nan 0.000 0.423 294 N N 1.927 120.590 118.700 -0.061 0.000 2.498 294 N HA 0.471 5.211 4.740 -0.000 0.000 0.287 294 N C -1.003 174.454 175.510 -0.087 0.000 1.097 294 N CA -0.313 52.696 53.050 -0.068 0.000 0.973 294 N CB 2.848 41.299 38.487 -0.061 0.000 1.153 294 N HN 0.219 nan 8.380 nan 0.000 0.472 295 V N 2.019 121.866 119.914 -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 2.063 33.693 31.823 -0.323 0.000 1.002 295 V HN 0.535 nan 8.190 nan 0.000 0.424 296 E N 3.701 123.841 120.200 -0.099 0.000 2.301 296 E HA 0.281 4.631 4.350 -0.000 0.000 0.275 296 E C -0.091 176.479 176.600 -0.050 0.000 1.030 296 E CA -0.393 55.972 56.400 -0.057 0.000 0.852 296 E CB 0.663 30.342 29.700 -0.035 0.000 1.060 296 E HN 0.711 nan 8.360 nan 0.000 0.401 297 N N 1.343 120.036 118.700 -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 0.021 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 -0.185 0.000 0.788 298 P CB 0.853 32.191 31.700 -0.604 0.000 0.949 299 K N 1.343 121.840 120.400 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 55.853 56.287 0.178 0.000 0.888 299 K CB 0.493 33.065 32.500 0.120 0.000 1.091 299 K HN 0.382 nan 8.250 nan 0.000 0.467 300 L N 2.376 123.687 121.223 0.146 0.000 2.395 300 L HA 0.338 4.678 4.340 -0.000 0.000 0.269 300 L C -0.114 176.842 176.870 0.143 0.000 1.133 300 L CA -0.795 54.140 54.840 0.158 0.000 0.812 300 L CB 0.417 42.427 42.059 -0.082 0.000 1.125 300 L HN 0.599 nan 8.230 nan 0.000 0.452 301 W N 2.886 124.223 121.300 0.062 0.000 2.376 301 W HA 0.497 5.157 4.660 -0.000 0.000 0.322 301 W C -0.299 176.173 176.519 -0.079 0.000 1.160 301 W CA 0.128 57.487 57.345 0.024 0.000 1.218 301 W CB 1.269 30.790 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 0.029 173.814 174.600 -1.359 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 0.043 4.363 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 1.269 52.693 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 -0.808 119.198 120.200 -0.324 0.000 2.106 304 E HA 0.030 4.380 4.350 -0.000 0.000 0.192 304 E C -0.280 176.168 176.600 -0.254 0.000 0.984 304 E CA 0.777 57.059 56.400 -0.195 0.000 0.806 304 E CB 0.021 29.746 29.700 0.042 0.000 0.750 304 E HN 0.604 nan 8.360 nan 0.000 0.458 305 I N 0.947 121.309 120.570 -0.346 0.000 2.588 305 I HA 0.140 4.310 4.170 -0.000 0.000 0.278 305 I C -2.624 173.223 176.117 -0.451 0.000 1.144 305 I CA -1.853 59.268 61.300 -0.298 0.000 1.074 305 I CB 2.154 40.039 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 -0.498 176.793 177.300 -0.015 0.000 1.756 306 P CA -0.099 62.678 63.100 -0.539 0.000 0.990 306 P CB -0.370 31.233 31.700 -0.161 0.000 1.973 307 N N 1.787 120.497 118.700 0.018 0.000 2.468 307 N HA 0.128 4.868 4.740 -0.000 0.000 0.265 307 N C 0.077 175.805 175.510 0.363 0.000 1.199 307 N CA 0.371 53.506 53.050 0.141 0.000 0.928 307 N CB 0.620 39.173 38.487 0.110 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 1.163 43.344 42.059 0.204 0.000 1.316 308 L HN 0.400 nan 8.230 nan 0.000 0.432 309 Y N -0.027 120.402 120.300 0.215 0.000 2.576 309 Y HA 0.567 5.117 4.550 -0.000 0.000 0.346 309 Y C -0.337 175.671 175.900 0.180 0.000 1.018 309 Y CA -0.809 57.425 58.100 0.224 0.000 1.050 309 Y CB 2.095 40.741 38.460 0.311 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 -0.666 55.601 56.100 0.278 0.000 0.862 310 R CB 1.110 31.500 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 -1.111 176.548 177.584 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 20.597 19.000 0.151 0.000 1.206 311 A HN 0.456 nan 8.150 nan 0.000 0.470 312 V N 2.172 122.163 119.914 0.129 0.000 2.448 312 V HA 0.526 4.646 4.120 -0.000 0.000 0.295 312 V C -0.374 175.706 176.094 -0.024 0.000 1.025 312 V CA -0.692 61.628 62.300 0.034 0.000 0.859 312 V CB 1.396 33.245 31.823 0.044 0.000 0.988 312 V HN 0.582 nan 8.190 nan 0.000 0.431 313 V N 5.009 124.851 119.914 -0.121 0.000 2.334 313 V HA 0.439 4.559 4.120 -0.000 0.000 0.281 313 V C -0.036 176.001 176.094 -0.096 0.000 1.016 313 V CA -0.480 61.719 62.300 -0.169 0.000 0.832 313 V CB 1.149 32.723 31.823 -0.414 0.000 0.999 313 V HN 1.046 nan 8.190 nan 0.000 0.439 314 E N 5.060 125.252 120.200 -0.013 0.000 2.176 314 E HA 0.576 4.926 4.350 -0.000 0.000 0.267 314 E C -1.112 175.576 176.600 0.147 0.000 0.893 314 E CA -1.069 55.373 56.400 0.069 0.000 0.761 314 E CB 2.790 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 -0.686 176.248 176.870 0.106 0.000 1.046 315 L CA 0.068 54.936 54.840 0.047 0.000 0.816 315 L CB -0.095 41.970 42.059 0.009 0.000 1.197 315 L HN 0.699 nan 8.230 nan 0.000 0.427 316 H N 1.205 120.294 119.070 0.032 0.000 2.942 316 H HA 0.617 5.173 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 -2.822 111.868 114.554 0.227 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 1.387 70.446 68.868 0.317 0.000 1.061 317 T HN 0.776 nan 8.240 nan 0.000 0.518 318 A N 1.003 123.967 122.820 0.240 0.000 2.024 318 A HA -0.085 4.235 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 1.975 54.129 52.037 0.194 0.000 0.643 318 A CB -1.282 17.814 19.000 0.160 0.000 0.806 318 A HN 1.035 nan 8.150 nan 0.000 0.451 319 D N -2.970 117.515 120.400 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 55.408 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 0.668 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 0.328 175.260 174.900 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 2.136 116.751 114.554 0.101 0.000 2.817 321 T HA 0.405 4.755 4.350 -0.000 0.000 0.295 321 T C 0.506 175.288 174.700 0.138 0.000 0.958 321 T CA 0.153 62.310 62.100 0.094 0.000 1.157 321 T CB 1.070 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 0.257 4.597 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 42.563 42.059 0.066 0.000 1.142 322 L HN 0.578 nan 8.230 nan 0.000 0.443 323 I N 3.318 123.947 120.570 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 62.132 61.300 0.049 0.000 1.438 323 I CB -0.175 37.839 38.000 0.022 0.000 1.111 323 I HN 0.802 nan 8.210 nan 0.000 0.431 324 E N -0.596 119.623 120.200 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 30.662 29.700 -0.031 0.000 1.381 324 E HN -0.073 nan 8.360 nan 0.000 0.436 325 A N 0.926 123.796 122.820 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 0.094 0.000 0.700 325 A CB 1.910 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 -0.450 119.804 120.200 0.090 0.000 2.393 326 E HA 0.766 5.116 4.350 -0.000 0.000 0.273 326 E C -0.630 175.993 176.600 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 1.163 nan 8.360 nan 0.000 0.451 327 A N 0.178 123.135 122.820 0.227 0.000 2.588 327 A HA 0.858 5.178 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 1.193 20.130 19.000 -0.105 0.000 1.282 327 A HN 0.935 nan 8.150 nan 0.000 0.421 328 C N -0.815 118.621 119.300 0.226 0.000 3.292 328 C HA 0.728 5.188 4.460 -0.000 0.000 0.338 328 C C -1.542 173.534 174.990 0.144 0.000 1.323 328 C CA -0.987 58.157 59.018 0.211 0.000 1.232 328 C CB 0.888 28.767 27.740 0.232 0.000 1.517 328 C HN 0.829 nan 8.230 nan 0.000 0.470 329 D N 0.827 121.290 120.400 0.105 0.000 2.264 329 D HA 0.572 5.212 4.640 -0.000 0.000 0.249 329 D C -0.508 175.829 176.300 0.061 0.000 1.070 329 D CA 0.155 54.217 54.000 0.104 0.000 0.912 329 D CB 2.080 42.941 40.800 0.101 0.000 1.193 329 D HN 0.528 nan 8.370 nan 0.000 0.427 330 V N 0.696 120.675 119.914 0.107 0.000 2.656 330 V HA 0.645 4.765 4.120 -0.000 0.000 0.307 330 V C 0.369 176.502 176.094 0.065 0.000 1.051 330 V CA -0.731 61.577 62.300 0.015 0.000 0.893 330 V CB 2.195 34.016 31.823 -0.004 0.000 0.999 330 V HN 0.645 nan 8.190 nan 0.000 0.426 331 G N 2.767 111.493 108.800 -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 -0.023 0.000 1.316 331 G CA -0.399 44.701 45.100 0.001 0.000 0.944 331 G HN 0.410 nan 8.290 nan 0.000 0.489 332 F N 2.257 122.389 119.950 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 -0.300 57.933 58.000 0.388 0.000 1.160 332 F CB 1.105 40.353 39.000 0.412 0.000 1.186 332 F HN 0.552 nan 8.300 nan 0.000 0.526 333 R N 1.213 122.014 120.500 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 1.424 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 2.103 122.347 120.200 0.074 0.000 2.199 334 E HA 0.474 4.824 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 -1.018 55.479 56.400 0.162 0.000 0.759 334 E CB 2.020 31.851 29.700 0.219 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 0.585 4.705 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 1.261 33.092 31.823 0.013 0.000 0.985 335 V HN 0.752 nan 8.190 nan 0.000 0.436 336 R N 4.458 124.986 120.500 0.046 0.000 2.692 336 R HA 0.688 5.028 4.340 -0.000 0.000 0.269 336 R C -2.105 174.216 176.300 0.034 0.000 1.030 336 R CA -0.863 55.266 56.100 0.050 0.000 0.882 336 R CB 1.739 32.082 30.300 0.072 0.000 1.250 336 R HN 0.532 nan 8.270 nan 0.000 0.465 337 I N 1.835 122.426 120.570 0.035 0.000 2.330 337 I HA 0.328 4.498 4.170 -0.000 0.000 0.289 337 I C -0.558 175.578 176.117 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 6.267 126.482 120.200 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 -0.626 55.790 56.400 0.026 0.000 0.766 338 E CB 1.047 30.767 29.700 0.034 0.000 1.196 338 E HN 0.549 nan 8.360 nan 0.000 0.416 339 N N 3.442 122.153 118.700 0.018 0.000 2.725 339 N HA -0.233 4.507 4.740 -0.000 0.000 0.251 339 N C 0.427 175.941 175.510 0.007 0.000 1.031 339 N CA 1.960 55.018 53.050 0.013 0.000 0.720 339 N CB -1.237 37.257 38.487 0.011 0.000 0.930 339 N HN 0.973 nan 8.380 nan 0.000 0.543 340 G N -1.983 106.821 108.800 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 -0.029 174.865 174.900 -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 0.747 5.087 4.340 -0.000 0.000 0.269 341 L C -0.102 176.757 176.870 -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 43.944 42.059 -0.022 0.000 1.311 341 L HN 0.077 nan 8.230 nan 0.000 0.423 342 L N 3.738 124.939 121.223 -0.038 0.000 2.260 342 L HA 0.514 4.854 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 55.112 54.840 -0.039 0.000 0.811 342 L CB 0.481 42.503 42.059 -0.061 0.000 1.184 342 L HN 0.378 nan 8.230 nan 0.000 0.429 343 L N 5.673 126.885 121.223 -0.017 0.000 2.333 343 L HA 0.612 4.952 4.340 -0.000 0.000 0.269 343 L C -0.869 176.002 176.870 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 44.070 42.059 0.031 0.000 1.306 343 L HN 0.558 nan 8.230 nan 0.000 0.430 344 L N 2.694 123.928 121.223 0.019 0.000 2.376 344 L HA 0.495 4.835 4.340 -0.000 0.000 0.275 344 L C -0.475 176.426 176.870 0.052 0.000 0.987 344 L CA -0.233 54.628 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 4.115 122.741 118.700 -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 -0.402 0.000 1.033 345 N CA 1.412 54.134 53.050 -0.546 0.000 0.727 345 N CB -1.160 36.891 38.487 -0.727 0.000 0.950 345 N HN 1.172 nan 8.380 nan 0.000 0.541 346 G N -1.992 106.794 108.800 -0.023 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 -0.057 174.881 174.900 0.063 0.000 0.988 346 G CA 0.841 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 0.999 121.428 120.400 0.050 0.000 2.208 347 K HA 0.547 4.867 4.320 -0.000 0.000 0.247 347 K C -3.019 173.561 176.600 -0.032 0.000 0.953 347 K CA -2.111 54.164 56.287 -0.021 0.000 0.837 347 K CB 2.674 35.084 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 -0.251 176.989 177.300 -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 3.412 124.569 121.223 -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 0.235 nan 8.230 nan 0.000 0.466 350 L N 2.777 123.929 121.223 -0.118 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 0.566 176.609 176.117 -0.122 0.000 1.083 351 I CA 0.128 61.314 61.300 -0.189 0.000 1.372 351 I CB 0.522 38.287 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 0.545 176.919 176.300 0.123 0.000 1.370 352 R CA -0.262 55.868 56.100 0.050 0.000 1.482 352 R CB 0.750 30.947 30.300 -0.172 0.000 1.220 352 R HN 0.774 nan 8.270 nan 0.000 0.622 353 G N 0.076 108.898 108.800 0.036 0.000 2.509 353 G HA2 0.591 4.551 3.960 -0.000 0.000 0.328 353 G HA3 0.591 4.551 3.960 -0.000 0.000 0.328 353 G C -1.263 173.926 174.900 0.482 0.000 1.194 353 G CA -0.481 44.648 45.100 0.047 0.000 0.967 353 G HN 0.229 nan 8.290 nan 0.000 0.488 354 V N 0.228 120.464 119.914 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 2.242 33.970 31.823 -0.158 0.000 1.040 354 V HN 0.784 nan 8.190 nan 0.000 0.428 355 N N 4.271 123.020 118.700 0.081 0.000 2.518 355 N HA 0.519 5.259 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 52.531 53.050 -0.159 0.000 0.983 355 N CB 1.756 40.135 38.487 -0.181 0.000 1.139 355 N HN 0.670 nan 8.380 nan 0.000 0.465 356 R N 1.688 121.943 120.500 -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 55.317 56.100 -0.378 0.000 0.909 356 R CB 1.089 31.174 30.300 -0.358 0.000 1.195 356 R HN 0.579 nan 8.270 nan 0.000 0.438 357 H N 2.002 120.918 119.070 -0.257 0.000 2.495 357 H HA 0.172 4.728 4.556 -0.000 0.000 0.350 357 H C -0.549 174.760 175.328 -0.030 0.000 1.202 357 H CA -0.213 55.771 56.048 -0.106 0.000 1.322 357 H CB 1.668 31.423 29.762 -0.012 0.000 1.544 357 H HN 0.566 nan 8.280 nan 0.000 0.565 358 E N 1.653 122.034 120.200 0.302 0.000 1.963 358 E HA 0.106 4.456 4.350 -0.000 0.000 0.274 358 E C -0.767 175.957 176.600 0.207 0.000 1.061 358 E CA 0.006 56.497 56.400 0.151 0.000 0.847 358 E CB 0.149 29.945 29.700 0.160 0.000 1.083 358 E HN 0.398 nan 8.360 nan 0.000 0.402 359 H N 1.602 120.710 119.070 0.062 0.000 2.947 359 H HA 0.229 4.785 4.556 -0.000 0.000 0.354 359 H C -1.647 173.706 175.328 0.043 0.000 1.085 359 H CA -0.695 55.384 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 6.529 125.277 119.070 -0.537 0.000 2.744 360 H HA 0.196 4.752 4.556 -0.000 0.000 0.339 360 H C -2.215 172.700 175.328 -0.689 0.000 1.004 360 H CA -2.442 53.338 56.048 -0.448 0.000 1.257 360 H CB 2.439 32.056 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 1.393 178.580 177.300 -0.187 0.000 1.150 361 P CA 1.018 63.929 63.100 -0.314 0.000 0.843 361 P CB 0.797 32.339 31.700 -0.263 0.000 0.787 362 L N -2.009 119.233 121.223 0.033 0.000 2.262 362 L HA 0.051 4.391 4.340 -0.000 0.000 0.197 362 L C 2.444 179.226 176.870 -0.147 0.000 1.073 362 L CA 0.846 55.634 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 -0.485 118.510 119.070 -0.125 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 45.291 45.100 -0.267 0.000 0.968 364 G HN 0.477 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 0.304 176.324 176.000 0.034 0.000 0.896 365 Q CA -0.037 55.702 55.803 -0.107 0.000 0.950 365 Q CB 0.770 29.335 28.738 -0.287 0.000 1.054 365 Q HN 0.372 nan 8.270 nan 0.000 0.482 366 V N 1.867 121.809 119.914 0.046 0.000 2.432 366 V HA 0.211 4.331 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 0.998 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 4.443 124.081 119.600 0.064 0.000 2.471 367 M HA 0.562 5.042 4.480 -0.000 0.000 0.309 367 M C -0.445 175.812 176.300 -0.072 0.000 1.186 367 M CA -0.601 54.696 55.300 -0.005 0.000 1.008 367 M CB 1.453 34.007 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 0.665 nan 8.370 nan 0.000 0.444 369 E N 0.117 120.322 120.200 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 1.843 58.281 56.400 0.064 0.000 0.830 369 E CB 0.064 29.814 29.700 0.085 0.000 0.751 369 E HN 0.570 nan 8.360 nan 0.000 0.456 370 Q N -0.329 119.523 119.800 0.087 0.000 2.045 370 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 0.991 370 Q CA 2.506 58.367 55.803 0.097 0.000 0.851 370 Q CB -0.334 28.461 28.738 0.095 0.000 0.911 370 Q HN 0.375 nan 8.270 nan 0.000 0.418 371 T N 1.164 115.789 114.554 0.118 0.000 2.674 371 T HA -0.154 4.196 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 1.637 63.815 62.100 0.130 0.000 1.150 371 T CB -0.247 68.714 68.868 0.155 0.000 0.864 371 T HN 0.299 nan 8.240 nan 0.000 0.427 372 M N 0.712 120.393 119.600 0.134 0.000 2.113 372 M HA -0.181 4.299 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 57.124 55.300 0.238 0.000 1.091 372 M CB -0.924 31.845 32.600 0.281 0.000 1.309 372 M HN 0.125 nan 8.290 nan 0.000 0.407 373 V N -0.135 119.853 119.914 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 30.885 31.823 0.045 0.000 0.651 373 V HN 0.552 nan 8.190 nan 0.000 0.450 374 Q N -0.194 119.647 119.800 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 28.627 28.738 0.112 0.000 0.911 374 Q HN 0.625 nan 8.270 nan 0.000 0.418 375 D N 0.247 120.750 120.400 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 -0.010 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 0.157 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 -0.182 0.000 1.085 376 I CA 0.712 61.885 61.300 -0.211 0.000 1.347 376 I CB -0.208 37.572 38.000 -0.367 0.000 1.044 376 I HN 0.061 nan 8.210 nan 0.000 0.408 377 L N 0.211 121.361 121.223 -0.122 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 1.729 56.571 54.840 0.003 0.000 0.748 377 L CB -0.820 41.254 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 2.808 179.852 176.870 0.289 0.000 1.071 378 L CA 1.575 56.589 54.840 0.289 0.000 0.749 378 L CB -0.408 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 0.059 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 -0.078 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 0.200 120.575 120.400 -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 -0.047 0.000 1.048 380 K CA 1.597 57.751 56.287 -0.222 0.000 0.928 380 K CB -0.328 31.853 32.500 -0.532 0.000 0.713 380 K HN 0.557 nan 8.250 nan 0.000 0.442 381 Q N 0.115 120.050 119.800 0.226 0.000 2.291 381 Q HA -0.035 4.305 4.340 -0.000 0.000 0.205 381 Q C 0.990 177.267 176.000 0.463 0.000 0.970 381 Q CA 0.626 56.683 55.803 0.423 0.000 0.876 381 Q CB 0.070 29.038 28.738 0.384 0.000 0.935 381 Q HN 0.287 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 0.072 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 -0.134 118.688 118.700 0.203 0.000 2.882 383 N HA -0.168 4.572 4.740 -0.000 0.000 0.249 383 N C -0.766 174.656 175.510 -0.147 0.000 1.079 383 N CA 0.630 53.718 53.050 0.064 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 1.342 121.303 119.950 0.018 0.000 2.371 384 F HA 0.337 4.864 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 0.774 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 0.419 119.237 118.700 0.198 0.000 2.118 385 N HA 0.406 5.146 4.740 -0.000 0.000 0.226 385 N C -0.872 174.701 175.510 0.106 0.000 1.305 385 N CA 0.063 53.163 53.050 0.084 0.000 0.890 385 N CB 0.703 39.281 38.487 0.152 0.000 1.118 385 N HN 0.472 nan 8.380 nan 0.000 0.511 386 A N -0.349 122.598 122.820 0.211 0.000 2.606 386 A HA 0.769 5.089 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 51.613 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 0.965 121.120 119.914 0.402 0.000 2.971 387 V HA 0.832 4.952 4.120 -0.000 0.000 0.309 387 V C -0.827 175.353 176.094 0.143 0.000 1.130 387 V CA -0.741 61.744 62.300 0.308 0.000 0.964 387 V CB 1.946 33.841 31.823 0.119 0.000 1.029 387 V HN 1.173 nan 8.190 nan 0.000 0.427 388 R N 4.710 125.126 120.500 -0.141 0.000 2.387 388 R HA 0.497 4.837 4.340 -0.000 0.000 0.314 388 R C -0.766 175.368 176.300 -0.277 0.000 0.958 388 R CA -0.477 55.386 56.100 -0.395 0.000 0.846 388 R CB 1.159 30.944 30.300 -0.858 0.000 1.147 388 R HN 0.855 nan 8.270 nan 0.000 0.447 389 C N 4.342 123.519 119.300 -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 -0.494 0.000 1.034 389 C CA -0.453 58.397 59.018 -0.280 0.000 1.086 389 C CB -2.176 25.509 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 -0.123 173.614 174.600 -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 0.739 nan 8.310 nan 0.000 0.494 391 H N 3.490 121.935 119.070 -1.042 0.000 2.597 391 H HA 0.302 4.858 4.556 -0.000 0.000 0.225 391 H C -1.180 173.997 175.328 -0.253 0.000 1.422 391 H CA -0.364 55.443 56.048 -0.401 0.000 1.335 391 H CB -0.055 29.681 29.762 -0.043 0.000 1.783 391 H HN 0.895 nan 8.280 nan 0.000 0.513 392 Y N -2.671 117.739 120.300 0.184 0.000 2.765 392 Y HA 0.378 4.928 4.550 -0.000 0.000 0.350 392 Y C -3.327 172.682 175.900 0.181 0.000 1.196 392 Y CA -2.902 55.312 58.100 0.189 0.000 1.119 392 Y CB -0.064 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 -0.688 176.922 177.300 0.517 0.000 1.216 393 P CA 0.131 63.501 63.100 0.450 0.000 0.776 393 P CB 0.648 32.540 31.700 0.320 0.000 0.881 394 N N 0.298 119.315 118.700 0.528 0.000 2.478 394 N HA 0.103 4.843 4.740 -0.000 0.000 0.275 394 N C 0.047 175.817 175.510 0.434 0.000 1.221 394 N CA -0.609 52.659 53.050 0.363 0.000 0.979 394 N CB 0.415 38.884 38.487 -0.030 0.000 1.202 394 N HN 0.596 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 0.352 0.000 1.015 395 H CA -0.822 55.344 56.048 0.198 0.000 1.429 395 H CB 0.986 30.815 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 0.844 64.187 63.100 0.405 0.000 0.849 396 P CB 0.166 31.897 31.700 0.052 0.000 0.787 397 L N -1.220 120.427 121.223 0.707 0.000 2.131 397 L HA -0.080 4.260 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 1.476 56.621 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 -0.262 121.138 121.300 0.166 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 59.498 57.345 -0.089 0.000 1.264 398 W CB -0.490 28.784 29.460 -0.309 0.000 1.154 398 W HN 0.283 nan 8.180 nan 0.000 0.483 399 Y N 0.634 120.892 120.300 -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 2.141 59.963 58.100 -0.462 0.000 1.182 399 Y CB -1.426 36.465 38.460 -0.949 0.000 0.979 399 Y HN -0.172 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 0.232 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 1.136 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 0.391 59.258 59.018 -0.252 0.000 1.744 402 C CB -0.868 26.595 27.740 -0.462 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 -0.100 4.540 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 1.161 55.243 54.000 0.138 0.000 0.829 403 D CB -0.339 40.511 40.800 0.084 0.000 0.961 403 D HN 0.575 nan 8.370 nan 0.000 0.460 404 R N -0.749 119.819 120.500 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 0.594 56.689 56.100 -0.008 0.000 0.972 404 R CB -0.367 29.846 30.300 -0.144 0.000 0.869 404 R HN 0.305 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 1.077 176.907 175.900 -0.116 0.000 1.123 405 Y CA 0.920 59.003 58.100 -0.028 0.000 1.201 405 Y CB 0.472 38.885 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 -1.173 173.558 174.900 -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 1.037 122.166 121.223 -0.158 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 -1.266 53.432 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 2.082 122.478 120.300 0.159 0.000 2.411 408 Y HA 0.372 4.922 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 -0.584 57.637 58.100 0.202 0.000 1.381 408 Y CB 1.133 39.702 38.460 0.182 0.000 1.273 408 Y HN 0.155 nan 8.280 nan 0.000 0.546 409 V N 3.626 123.701 119.914 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 2.023 33.895 31.823 0.082 0.000 1.005 409 V HN 0.455 nan 8.190 nan 0.000 0.428 410 V N 2.597 122.548 119.914 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 -0.408 61.889 62.300 -0.004 0.000 0.838 410 V CB 1.425 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 -0.217 176.255 176.300 0.286 0.000 1.113 411 D CA 0.036 54.188 54.000 0.253 0.000 0.871 411 D CB 1.296 42.293 40.800 0.329 0.000 1.167 411 D HN 0.710 nan 8.370 nan 0.000 0.447 412 E N 1.712 122.057 120.200 0.242 0.000 2.248 412 E HA 0.616 4.966 4.350 -0.000 0.000 0.267 412 E C -1.130 175.608 176.600 0.231 0.000 0.877 412 E CA -1.074 55.457 56.400 0.218 0.000 0.759 412 E CB 1.418 31.198 29.700 0.132 0.000 1.182 412 E HN 0.451 nan 8.360 nan 0.000 0.418 413 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 0.338 178.049 177.584 0.212 0.000 1.075 413 A CA -0.274 51.876 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 1.467 120.301 118.700 0.223 0.000 2.892 414 N HA 0.193 4.933 4.740 -0.000 0.000 0.300 414 N C -0.921 174.718 175.510 0.215 0.000 1.211 414 N CA 0.279 53.490 53.050 0.270 0.000 1.158 414 N CB -0.901 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 0.672 121.361 120.570 0.199 0.000 2.534 415 I HA 0.270 4.440 4.170 -0.000 0.000 0.286 415 I C -0.621 175.590 176.117 0.156 0.000 1.094 415 I CA -0.688 60.710 61.300 0.163 0.000 1.055 415 I CB 1.973 40.044 38.000 0.119 0.000 1.225 415 I HN 0.215 nan 8.210 nan 0.000 0.435 416 E N 4.188 124.478 120.200 0.149 0.000 2.278 416 E HA 0.414 4.764 4.350 -0.000 0.000 0.272 416 E C -0.528 176.144 176.600 0.120 0.000 0.890 416 E CA -0.438 56.024 56.400 0.105 0.000 0.770 416 E CB 1.862 31.600 29.700 0.062 0.000 1.212 416 E HN 0.671 nan 8.360 nan 0.000 0.415 417 T N 0.534 115.151 114.554 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 -0.286 61.902 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 -0.233 29.400 29.762 -0.215 0.000 1.363 418 H HN 0.576 nan 8.280 nan 0.000 0.494 419 G N 0.228 108.866 108.800 -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 0.147 nan 8.290 nan 0.000 0.536 420 M N 0.151 119.883 119.600 0.219 0.000 2.131 420 M HA 0.314 4.794 4.480 -0.000 0.000 0.283 420 M C -0.314 176.021 176.300 0.058 0.000 1.225 420 M CA 0.144 55.537 55.300 0.154 0.000 1.153 420 M CB 1.082 33.728 32.600 0.077 0.000 1.380 420 M HN -0.161 nan 8.290 nan 0.000 0.458 421 V N 2.158 122.085 119.914 0.021 0.000 2.653 421 V HA 0.296 4.416 4.120 -0.000 0.000 0.298 421 V C -2.112 173.974 176.094 -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 33.757 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 32.554 31.700 -0.004 0.000 1.011 423 M N 0.885 120.493 119.600 0.012 0.000 2.255 423 M HA -0.233 4.247 4.480 -0.000 0.000 0.259 423 M C 1.089 177.406 176.300 0.029 0.000 1.071 423 M CA 2.162 57.480 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 -0.262 118.451 118.700 0.023 0.000 2.251 424 N HA -0.040 4.700 4.740 -0.000 0.000 0.217 424 N C 1.054 176.530 175.510 -0.057 0.000 1.124 424 N CA 0.074 53.132 53.050 0.013 0.000 0.843 424 N CB -0.593 37.924 38.487 0.050 0.000 1.024 424 N HN 0.349 nan 8.380 nan 0.000 0.501 425 R N 0.617 121.073 120.500 -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 57.920 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 -0.995 120.041 121.223 -0.311 0.000 2.168 426 L HA 0.004 4.344 4.340 -0.000 0.000 0.203 426 L C 2.476 179.164 176.870 -0.305 0.000 1.078 426 L CA 1.283 55.809 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 -3.658 110.755 114.554 -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 1.441 63.383 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 0.132 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 -0.492 175.777 176.300 -0.051 0.000 1.101 428 D CA -0.224 53.719 54.000 -0.094 0.000 0.837 428 D CB -0.031 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 -0.593 119.792 120.400 -0.026 0.000 2.481 429 D HA 0.187 4.827 4.640 -0.000 0.000 0.246 429 D C -1.828 174.537 176.300 0.109 0.000 1.109 429 D CA -2.320 51.715 54.000 0.057 0.000 0.845 429 D CB 2.236 43.108 40.800 0.120 0.000 1.160 429 D HN -0.149 nan 8.370 nan 0.000 0.534 430 P HA -0.186 nan 4.420 nan 0.000 0.216 430 P C 1.104 178.414 177.300 0.016 0.000 1.154 430 P CA 1.249 64.362 63.100 0.021 0.000 0.865 430 P CB 0.170 31.870 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 1.771 177.927 176.300 -0.240 0.000 1.144 431 R CA 1.457 57.491 56.100 -0.110 0.000 0.992 431 R CB -0.831 29.376 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 1.585 178.042 176.519 -0.103 0.000 1.253 432 W CA -0.602 56.683 57.345 -0.099 0.000 1.759 432 W CB -0.033 29.364 29.460 -0.106 0.000 1.093 432 W HN -0.002 nan 8.180 nan 0.000 0.648 433 L N 2.380 123.650 121.223 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 2.307 57.146 54.840 -0.002 0.000 0.749 433 L CB -1.690 40.353 42.059 -0.025 0.000 0.893 433 L HN -0.230 nan 8.230 nan 0.000 0.432 434 P HA -0.104 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 -0.340 122.447 122.820 -0.055 0.000 1.873 435 A HA -0.241 4.079 4.320 -0.000 0.000 0.218 435 A C 2.297 179.891 177.584 0.017 0.000 1.193 435 A CA 2.313 54.349 52.037 -0.002 0.000 0.629 435 A CB -1.642 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 -0.172 119.450 119.600 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 1.917 57.212 55.300 -0.009 0.000 1.107 436 M CB -0.564 32.010 32.600 -0.043 0.000 1.356 436 M HN 0.689 nan 8.290 nan 0.000 0.406 437 S N 0.531 116.157 115.700 -0.124 0.000 2.365 437 S HA -0.220 4.250 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 1.713 59.777 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 0.651 120.745 120.200 -0.176 0.000 2.110 438 E HA -0.136 4.214 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 1.012 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 0.173 120.623 120.500 -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 0.918 56.996 56.100 -0.036 0.000 0.975 439 R CB -0.016 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 -0.002 119.825 119.914 -0.145 0.000 2.426 440 V HA -0.174 3.946 4.120 -0.000 0.000 0.242 440 V C 2.357 178.298 176.094 -0.255 0.000 1.036 440 V CA 2.009 64.209 62.300 -0.165 0.000 1.044 440 V CB -0.393 31.317 31.823 -0.188 0.000 0.688 440 V HN 0.513 nan 8.190 nan 0.000 0.462 441 T N -0.216 114.067 114.554 -0.451 0.000 2.665 441 T HA -0.310 4.040 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 0.402 nan 8.240 nan 0.000 0.438 442 R N 0.463 120.853 120.500 -0.184 0.000 2.081 442 R HA 0.074 4.414 4.340 -0.000 0.000 0.235 442 R C 2.718 178.955 176.300 -0.106 0.000 1.131 442 R CA 1.635 57.661 56.100 -0.124 0.000 0.960 442 R CB -0.544 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 0.813 120.359 119.600 -0.090 0.000 2.080 443 M HA -0.183 4.297 4.480 -0.000 0.000 0.260 443 M C 2.008 178.252 176.300 -0.094 0.000 1.068 443 M CA 1.748 57.022 55.300 -0.044 0.000 1.109 443 M CB -0.034 32.580 32.600 0.022 0.000 1.342 443 M HN -0.019 nan 8.290 nan 0.000 0.405 444 V N 0.740 120.504 119.914 -0.250 0.000 2.332 444 V HA -0.316 3.804 4.120 -0.000 0.000 0.248 444 V C 2.318 178.302 176.094 -0.183 0.000 1.055 444 V CA 2.184 64.209 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 0.599 nan 8.190 nan 0.000 0.450 445 Q N -0.753 118.978 119.800 -0.116 0.000 2.135 445 Q HA -0.241 4.099 4.340 -0.000 0.000 0.204 445 Q C 2.513 178.439 176.000 -0.122 0.000 0.981 445 Q CA 1.785 57.535 55.803 -0.089 0.000 0.856 445 Q CB -0.160 28.547 28.738 -0.051 0.000 0.902 445 Q HN 0.540 nan 8.270 nan 0.000 0.425 446 R N 0.100 120.520 120.500 -0.134 0.000 2.075 446 R HA -0.094 4.246 4.340 -0.000 0.000 0.226 446 R C 0.584 176.804 176.300 -0.133 0.000 1.114 446 R CA 1.403 57.397 56.100 -0.177 0.000 0.972 446 R CB 0.367 30.561 30.300 -0.176 0.000 0.869 446 R HN 0.147 nan 8.270 nan 0.000 0.437 447 D N -0.182 120.205 120.400 -0.021 0.000 2.369 447 D HA -0.009 4.631 4.640 -0.000 0.000 0.211 447 D C 1.406 177.807 176.300 0.167 0.000 1.077 447 D CA 0.177 54.213 54.000 0.060 0.000 0.842 447 D CB 0.296 41.105 40.800 0.014 0.000 0.947 447 D HN 0.325 nan 8.370 nan 0.000 0.509 448 R N 0.809 121.420 120.500 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 0.284 118.887 118.700 -0.161 0.000 2.412 449 N HA -0.033 4.707 4.740 -0.000 0.000 0.184 449 N C -0.406 174.957 175.510 -0.245 0.000 1.101 449 N CA 0.254 53.163 53.050 -0.235 0.000 0.881 449 N CB 0.059 38.356 38.487 -0.317 0.000 0.969 449 N HN 0.369 nan 8.380 nan 0.000 0.459 450 H N 1.577 120.562 119.070 -0.142 0.000 2.742 450 H HA 0.096 4.652 4.556 -0.000 0.000 0.302 450 H C -1.201 173.963 175.328 -0.274 0.000 1.069 450 H CA -1.205 54.740 56.048 -0.171 0.000 1.446 450 H CB 1.539 31.237 29.762 -0.107 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 1.384 178.265 177.300 -0.698 0.000 1.148 451 P CA 1.168 63.924 63.100 -0.574 0.000 0.822 451 P CB 0.213 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 0.170 58.213 58.200 -0.262 0.000 0.957 452 S CB -1.311 61.854 63.200 -0.058 0.000 0.773 452 S HN -0.069 nan 8.310 nan 0.000 0.507 453 V N 3.478 123.315 119.914 -0.127 0.000 2.470 453 V HA 0.262 4.382 4.120 -0.000 0.000 0.276 453 V C 0.984 176.929 176.094 -0.249 0.000 1.040 453 V CA -0.077 62.114 62.300 -0.181 0.000 1.008 453 V CB 0.614 32.234 31.823 -0.337 0.000 0.990 453 V HN 0.627 nan 8.190 nan 0.000 0.477 454 I N 2.662 123.129 120.570 -0.173 0.000 4.327 454 I HA 0.526 4.696 4.170 -0.000 0.000 0.331 454 I C 0.239 176.230 176.117 -0.210 0.000 1.348 454 I CA 0.335 61.541 61.300 -0.157 0.000 1.152 454 I CB 0.494 38.480 38.000 -0.023 0.000 1.151 454 I HN 0.312 nan 8.210 nan 0.000 0.410 455 I N 0.249 120.666 120.570 -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 -0.433 60.761 61.300 -0.177 0.000 1.030 455 I CB 2.167 40.161 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 0.312 176.894 176.519 0.105 0.000 1.086 456 W CA -0.704 56.692 57.345 0.085 0.000 1.222 456 W CB 1.723 31.228 29.460 0.074 0.000 1.304 456 W HN 0.309 nan 8.180 nan 0.000 0.547 457 S N 2.896 118.826 115.700 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 1.424 178.389 176.870 0.159 0.000 1.149 458 L CA 0.577 55.516 54.840 0.165 0.000 0.872 458 L CB -1.216 40.847 42.059 0.007 0.000 0.992 458 L HN 0.998 nan 8.230 nan 0.000 0.447 459 G N -0.004 108.960 108.800 0.274 0.000 2.250 459 G HA2 -0.099 3.861 3.960 -0.000 0.000 0.252 459 G HA3 -0.099 3.861 3.960 -0.000 0.000 0.252 459 G C -1.662 173.430 174.900 0.320 0.000 1.325 459 G CA -0.530 44.727 45.100 0.262 0.000 1.091 459 G HN 0.182 nan 8.290 nan 0.000 0.476 460 N N 0.183 119.024 118.700 0.234 0.000 2.504 460 N HA 0.439 5.179 4.740 -0.000 0.000 0.268 460 N C -0.530 174.945 175.510 -0.059 0.000 1.184 460 N CA 0.148 53.194 53.050 -0.007 0.000 0.875 460 N CB 1.399 39.621 38.487 -0.440 0.000 1.630 460 N HN 0.947 nan 8.380 nan 0.000 0.486 461 E N 0.720 120.791 120.200 -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 -1.562 27.645 29.700 -0.821 0.000 1.051 461 E HN 0.417 nan 8.360 nan 0.000 0.315 462 S N 0.057 115.834 115.700 0.128 0.000 2.941 462 S HA 0.415 4.885 4.470 -0.000 0.000 0.251 462 S C 0.762 175.534 174.600 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 -0.501 174.619 174.900 0.366 0.000 1.264 463 G CA 0.019 45.233 45.100 0.190 0.000 0.935 463 G HN 0.648 nan 8.290 nan 0.000 0.568 464 H N 0.498 119.697 119.070 0.215 0.000 2.840 464 H HA 0.582 5.138 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 0.936 30.777 29.762 0.132 0.000 1.607 464 H HN 1.219 nan 8.280 nan 0.000 0.522 465 G N 1.400 110.204 108.800 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 0.370 123.072 122.820 -0.197 0.000 1.986 466 A HA -0.121 4.199 4.320 -0.000 0.000 0.220 466 A C 2.117 179.664 177.584 -0.061 0.000 1.171 466 A CA 2.050 54.028 52.037 -0.097 0.000 0.640 466 A CB -0.461 18.508 19.000 -0.052 0.000 0.811 466 A HN 0.549 nan 8.150 nan 0.000 0.451 467 N N -0.297 118.323 118.700 -0.133 0.000 2.205 467 N HA -0.156 4.584 4.740 -0.000 0.000 0.186 467 N C 1.372 176.818 175.510 -0.106 0.000 1.015 467 N CA 1.728 54.694 53.050 -0.141 0.000 0.862 467 N CB -0.705 37.667 38.487 -0.192 0.000 0.986 467 N HN 0.802 nan 8.380 nan 0.000 0.429 468 H N 0.487 119.511 119.070 -0.076 0.000 2.321 468 H HA -0.038 4.518 4.556 -0.000 0.000 0.300 468 H C 1.276 176.655 175.328 0.086 0.000 1.087 468 H CA 1.329 57.349 56.048 -0.048 0.000 1.319 468 H CB 0.129 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 0.496 121.042 120.400 0.242 0.000 2.104 469 D HA -0.159 4.481 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 1.246 55.388 54.000 0.236 0.000 0.830 469 D CB -0.562 40.347 40.800 0.181 0.000 0.959 469 D HN 0.431 nan 8.370 nan 0.000 0.452 470 A N 0.700 123.616 122.820 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 -0.741 18.302 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 -0.131 4.209 4.340 -0.000 0.000 0.207 471 L C 2.561 179.580 176.870 0.249 0.000 1.086 471 L CA 1.474 56.410 54.840 0.161 0.000 0.760 471 L CB -0.681 41.406 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 1.598 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 0.054 120.682 120.500 0.213 0.000 2.083 473 R HA -0.253 4.087 4.340 -0.000 0.000 0.237 473 R C 2.116 178.418 176.300 0.005 0.000 1.137 473 R CA 2.049 58.201 56.100 0.086 0.000 0.951 473 R CB -1.736 28.686 30.300 0.202 0.000 0.851 473 R HN 0.681 nan 8.270 nan 0.000 0.434 474 W N 1.244 122.505 121.300 -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 -0.442 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 0.650 121.205 120.570 -0.025 0.000 2.226 475 I HA -0.335 3.835 4.170 -0.000 0.000 0.245 475 I C 2.405 178.287 176.117 -0.391 0.000 1.100 475 I CA 1.338 62.451 61.300 -0.311 0.000 1.374 475 I CB -0.911 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 -0.139 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 1.660 57.776 56.287 -0.285 0.000 0.928 476 K CB -0.588 31.731 32.500 -0.301 0.000 0.716 476 K HN 0.354 nan 8.250 nan 0.000 0.446 477 S N 0.401 115.911 115.700 -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 0.796 58.817 58.200 -0.298 0.000 0.965 477 S CB -0.171 62.866 63.200 -0.272 0.000 0.812 477 S HN -0.013 nan 8.310 nan 0.000 0.482 478 V N 1.380 120.930 119.914 -0.607 0.000 2.488 478 V HA 0.057 4.177 4.120 -0.000 0.000 0.246 478 V C 0.380 176.238 176.094 -0.394 0.000 1.046 478 V CA 1.252 63.182 62.300 -0.616 0.000 1.053 478 V CB -0.258 30.877 31.823 -1.147 0.000 0.679 478 V HN 0.394 nan 8.190 nan 0.000 0.458 479 D N -0.882 119.322 120.400 -0.326 0.000 2.336 479 D HA 0.264 4.904 4.640 -0.000 0.000 0.248 479 D C -2.238 174.043 176.300 -0.031 0.000 1.326 479 D CA -1.655 52.270 54.000 -0.124 0.000 0.973 479 D CB 1.901 42.709 40.800 0.013 0.000 1.255 479 D HN 0.070 nan 8.370 nan 0.000 0.558 480 P HA 0.003 nan 4.420 nan 0.000 0.240 480 P C 1.201 178.517 177.300 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 -0.607 115.121 115.700 0.047 0.000 2.481 481 S HA -0.003 4.467 4.470 -0.000 0.000 0.231 481 S C 0.890 175.519 174.600 0.049 0.000 0.996 481 S CA 0.099 58.331 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 0.824 121.373 120.500 0.082 0.000 2.725 482 R HA 0.599 4.939 4.340 -0.000 0.000 0.277 482 R C -3.210 173.155 176.300 0.109 0.000 0.987 482 R CA -2.322 53.800 56.100 0.035 0.000 0.901 482 R CB 1.437 31.650 30.300 -0.146 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 -0.820 176.582 177.300 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 2.139 122.177 119.914 0.207 0.000 2.555 484 V HA 0.451 4.571 4.120 -0.000 0.000 0.302 484 V C 0.170 176.442 176.094 0.297 0.000 1.038 484 V CA -0.388 62.081 62.300 0.282 0.000 0.887 484 V CB 1.373 33.347 31.823 0.252 0.000 0.991 484 V HN 0.652 nan 8.190 nan 0.000 0.434 485 Q N 3.435 123.396 119.800 0.268 0.000 2.451 485 Q HA 0.820 5.160 4.340 -0.000 0.000 0.281 485 Q C -1.798 174.365 176.000 0.271 0.000 1.099 485 Q CA -0.980 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 0.652 nan 8.270 nan 0.000 0.427 486 Y N 0.127 120.446 120.300 0.032 0.000 2.357 486 Y HA 0.145 4.695 4.550 -0.000 0.000 0.319 486 Y C -0.445 175.407 175.900 -0.080 0.000 1.225 486 Y CA -0.634 57.454 58.100 -0.021 0.000 1.095 486 Y CB 2.016 40.458 38.460 -0.030 0.000 1.302 486 Y HN 0.958 nan 8.280 nan 0.000 0.429 487 E N 3.553 123.280 120.200 -0.789 0.000 2.250 487 E HA 0.113 4.463 4.350 -0.000 0.000 0.192 487 E C 0.748 176.917 176.600 -0.718 0.000 0.986 487 E CA 0.798 56.837 56.400 -0.602 0.000 0.849 487 E CB 0.188 29.649 29.700 -0.397 0.000 0.797 487 E HN 0.900 nan 8.360 nan 0.000 0.482 488 G N 0.003 107.976 108.800 -1.379 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 -0.358 108.406 108.800 -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 1.291 176.188 174.900 -0.004 0.000 1.041 489 G CA 1.002 46.122 45.100 0.033 0.000 0.807 489 G HN 2.636 nan 8.290 nan 0.000 0.502 490 G N -1.663 107.131 108.800 -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 1.104 176.102 174.900 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 -0.221 122.592 122.820 -0.013 0.000 3.413 491 A HA -0.108 4.212 4.320 -0.000 0.000 0.268 491 A C 1.104 178.649 177.584 -0.065 0.000 1.128 491 A CA 2.658 54.641 52.037 -0.091 0.000 1.062 491 A CB -1.804 17.107 19.000 -0.148 0.000 1.121 491 A HN 2.109 nan 8.150 nan 0.000 0.895 492 D N -1.161 119.267 120.400 0.047 0.000 2.636 492 D HA 0.295 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 0.063 0.000 0.796 492 D CB -1.158 39.821 40.800 0.298 0.000 1.117 492 D HN 0.839 nan 8.370 nan 0.000 0.480 493 T N -2.662 111.821 114.554 -0.118 0.000 2.698 493 T HA 0.129 4.479 4.350 -0.000 0.000 0.295 493 T C 1.625 176.197 174.700 -0.212 0.000 1.007 493 T CA 0.564 62.522 62.100 -0.236 0.000 0.980 493 T CB 1.091 69.608 68.868 -0.586 0.000 1.036 493 T HN 0.056 nan 8.240 nan 0.000 0.526 494 T N -1.571 112.843 114.554 -0.233 0.000 3.007 494 T HA 0.038 4.388 4.350 -0.000 0.000 0.270 494 T C 1.714 176.149 174.700 -0.442 0.000 1.107 494 T CA 0.881 62.852 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 0.110 122.701 122.820 -0.381 0.000 2.337 495 A HA 0.451 4.771 4.320 -0.000 0.000 0.227 495 A C 1.010 178.405 177.584 -0.314 0.000 1.259 495 A CA 0.116 51.873 52.037 -0.466 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 -1.690 112.719 114.554 -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 0.050 0.000 1.052 496 T CA -0.469 61.638 62.100 0.011 0.000 0.996 496 T CB 1.351 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 2.537 123.045 120.400 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 0.396 41.312 40.800 0.193 0.000 0.925 497 D HN 0.525 nan 8.370 nan 0.000 0.524 498 I N 0.602 121.189 120.570 0.030 0.000 2.686 498 I HA 0.262 4.432 4.170 -0.000 0.000 0.295 498 I C -0.381 175.682 176.117 -0.091 0.000 1.114 498 I CA -0.947 60.335 61.300 -0.029 0.000 1.038 498 I CB 2.976 40.966 38.000 -0.016 0.000 1.238 498 I HN -0.358 nan 8.210 nan 0.000 0.420 499 I N 5.157 125.629 120.570 -0.163 0.000 2.436 499 I HA 0.096 4.266 4.170 -0.000 0.000 0.289 499 I C -0.001 175.924 176.117 -0.319 0.000 1.083 499 I CA -0.054 61.064 61.300 -0.303 0.000 1.372 499 I CB 0.164 37.889 38.000 -0.459 0.000 1.408 499 I HN 0.633 nan 8.210 nan 0.000 0.516 500 C N 5.493 124.620 119.300 -0.288 0.000 3.414 500 C HA 0.486 4.946 4.460 -0.000 0.000 0.208 500 C C -2.225 172.627 174.990 -0.231 0.000 1.422 500 C CA -2.273 56.615 59.018 -0.215 0.000 1.437 500 C CB -0.923 26.748 27.740 -0.114 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 63.049 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 -0.162 119.393 119.600 -0.075 0.000 2.181 502 M HA 0.462 4.942 4.480 -0.000 0.000 0.323 502 M C -0.944 175.331 176.300 -0.042 0.000 1.004 502 M CA -0.599 54.575 55.300 -0.210 0.000 0.941 502 M CB 1.277 33.727 32.600 -0.249 0.000 1.579 502 M HN 0.348 nan 8.290 nan 0.000 0.427 503 Y N -0.114 120.325 120.300 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 0.427 58.668 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 1.270 124.287 122.820 0.329 0.000 2.425 504 A HA 0.580 4.900 4.320 -0.000 0.000 0.249 504 A C 0.707 178.485 177.584 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 0.398 nan 8.150 nan 0.000 0.490 505 R N 1.565 122.193 120.500 0.212 0.000 2.577 505 R HA 0.300 4.640 4.340 -0.000 0.000 0.269 505 R C 0.980 177.251 176.300 -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 0.479 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 1.027 177.000 176.094 -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 -0.970 119.346 120.400 -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 0.596 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 1.186 121.375 120.200 -0.019 0.000 2.191 508 E HA 0.367 4.717 4.350 -0.000 0.000 0.274 508 E C -0.856 175.749 176.600 0.009 0.000 0.948 508 E CA -0.773 55.624 56.400 -0.004 0.000 0.802 508 E CB 1.617 31.311 29.700 -0.010 0.000 1.137 508 E HN -0.295 nan 8.360 nan 0.000 0.397 509 D N 2.345 122.747 120.400 0.003 0.000 2.225 509 D HA 0.148 4.788 4.640 -0.000 0.000 0.249 509 D C -0.607 175.591 176.300 -0.171 0.000 1.052 509 D CA -0.216 53.775 54.000 -0.014 0.000 0.909 509 D CB 1.355 42.213 40.800 0.097 0.000 1.186 509 D HN 0.407 nan 8.370 nan 0.000 0.431 510 Q N 1.577 121.162 119.800 -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 -0.702 0.000 0.720 510 Q CB 2.449 30.813 28.738 -0.624 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 -0.782 176.170 177.300 -0.581 0.000 1.826 511 P CA -0.153 62.509 63.100 -0.729 0.000 0.977 511 P CB -0.545 30.932 31.700 -0.372 0.000 1.930 512 F N 2.294 122.095 119.950 -0.247 0.000 2.459 512 F HA 0.240 4.767 4.527 -0.000 0.000 0.346 512 F C -1.187 174.507 175.800 -0.176 0.000 1.128 512 F CA -2.605 55.295 58.000 -0.168 0.000 1.268 512 F CB -0.449 38.469 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 3.020 125.843 122.820 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 -3.721 116.193 119.914 0.001 0.000 2.703 515 V HA 0.542 4.662 4.120 -0.000 0.000 0.290 515 V C -2.640 173.457 176.094 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 32.660 31.823 0.022 0.000 1.178 515 V HN 0.445 nan 8.190 nan 0.000 0.562 516 P HA 0.341 nan 4.420 nan 0.000 0.272 516 P C -0.711 176.118 177.300 -0.784 0.000 1.230 516 P CA 0.092 62.810 63.100 -0.636 0.000 0.788 516 P CB 0.990 31.918 31.700 -1.286 0.000 0.949 517 K N 1.918 121.877 120.400 -0.736 0.000 2.464 517 K HA 0.234 4.554 4.320 -0.000 0.000 0.252 517 K C -0.517 175.790 176.600 -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 33.255 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 29.670 29.460 -0.540 0.000 1.133 518 W HN 0.441 nan 8.180 nan 0.000 0.592 519 S N 3.201 119.070 115.700 0.282 0.000 2.558 519 S HA -0.076 4.394 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 -0.210 58.093 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 0.554 nan 8.310 nan 0.000 0.505 520 I N 1.100 121.772 120.570 0.171 0.000 2.454 520 I HA -0.159 4.011 4.170 -0.000 0.000 0.254 520 I C 1.854 177.987 176.117 0.027 0.000 1.156 520 I CA 1.109 62.509 61.300 0.166 0.000 1.433 520 I CB -0.573 37.457 38.000 0.051 0.000 1.082 520 I HN 0.663 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 -0.172 4.148 4.320 -0.000 0.000 0.205 521 K C 2.152 178.728 176.600 -0.039 0.000 1.050 521 K CA 1.604 57.736 56.287 -0.258 0.000 0.938 521 K CB -0.337 31.898 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 0.002 0.000 1.052 522 K CA 0.677 56.950 56.287 -0.023 0.000 0.945 522 K CB -0.090 32.366 32.500 -0.073 0.000 0.722 522 K HN 0.194 nan 8.250 nan 0.000 0.443 523 W N 2.041 123.300 121.300 -0.068 0.000 2.321 523 W HA -0.208 4.452 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 1.295 58.609 57.345 -0.051 0.000 1.257 523 W CB -0.576 28.954 29.460 0.117 0.000 1.145 523 W HN 0.119 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 -0.255 4.085 4.340 -0.000 0.000 0.211 524 L C 2.565 179.487 176.870 0.087 0.000 1.089 524 L CA 1.911 56.831 54.840 0.133 0.000 0.757 524 L CB -0.991 41.125 42.059 0.095 0.000 0.899 524 L HN -0.004 nan 8.230 nan 0.000 0.434 525 S N -0.955 114.773 115.700 0.047 0.000 2.558 525 S HA 0.108 4.578 4.470 -0.000 0.000 0.217 525 S C 0.825 175.396 174.600 -0.048 0.000 0.975 525 S CA -0.407 57.793 58.200 0.001 0.000 0.912 525 S CB -0.462 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 -2.227 174.605 176.870 -0.062 0.000 1.236 526 L CA -1.542 53.217 54.840 -0.134 0.000 0.871 526 L CB -0.418 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 0.840 178.129 177.300 -0.019 0.000 1.185 527 P CA 0.928 64.002 63.100 -0.043 0.000 0.763 527 P CB 0.628 32.297 31.700 -0.051 0.000 0.776 528 G N 2.069 110.866 108.800 -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 0.073 45.178 45.100 0.008 0.000 0.625 528 G HN 0.626 nan 8.290 nan 0.000 0.527 529 E N 1.243 121.460 120.200 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 0.832 57.264 56.400 0.053 0.000 0.887 529 E CB 0.768 30.528 29.700 0.101 0.000 0.997 529 E HN 0.577 nan 8.360 nan 0.000 0.429 530 T N 0.750 115.323 114.554 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 -0.430 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 2.270 122.775 120.500 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 -1.589 54.506 56.100 -0.009 0.000 1.182 531 R CB -0.001 30.288 30.300 -0.018 0.000 1.084 531 R HN 0.254 nan 8.270 nan 0.000 0.528 532 P HA 0.168 nan 4.420 nan 0.000 0.278 532 P C -1.152 176.079 177.300 -0.115 0.000 1.258 532 P CA -0.280 62.779 63.100 -0.069 0.000 0.811 532 P CB 0.736 32.396 31.700 -0.068 0.000 1.063 533 L N 1.966 123.101 121.223 -0.148 0.000 2.381 533 L HA 0.611 4.951 4.340 -0.000 0.000 0.274 533 L C -1.237 175.495 176.870 -0.231 0.000 0.988 533 L CA -0.685 54.029 54.840 -0.210 0.000 0.824 533 L CB 0.856 42.775 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 5.559 126.655 121.223 -0.211 0.000 2.367 535 L HA 0.117 4.457 4.340 -0.000 0.000 0.275 535 L C 1.383 178.316 176.870 0.105 0.000 1.129 535 L CA -0.214 54.565 54.840 -0.100 0.000 0.839 535 L CB 0.765 42.745 42.059 -0.132 0.000 1.133 535 L HN 0.862 nan 8.230 nan 0.000 0.453 536 C N 0.019 119.362 119.300 0.070 0.000 2.464 536 C HA 0.175 4.635 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 -0.147 58.956 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 -0.899 119.335 120.200 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 55.999 56.400 -0.005 0.000 0.764 537 E CB 2.034 31.485 29.700 -0.414 0.000 1.216 537 E HN 0.645 nan 8.360 nan 0.000 0.419 538 Y N -0.387 119.872 120.300 -0.068 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 -0.892 57.203 58.100 -0.007 0.000 1.050 538 Y CB 0.977 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 2.227 125.102 122.820 0.092 0.000 2.303 539 A HA -0.273 4.047 4.320 -0.000 0.000 0.286 539 A C -0.247 177.454 177.584 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 0.551 119.764 119.070 0.238 0.000 3.237 540 H HA 0.159 4.715 4.556 -0.000 0.000 0.270 540 H C 1.267 176.638 175.328 0.071 0.000 0.900 540 H CA 0.801 56.982 56.048 0.223 0.000 1.415 540 H CB 0.386 30.155 29.762 0.012 0.000 1.484 540 H HN 0.839 nan 8.280 nan 0.000 0.540 541 A N 6.453 129.145 122.820 -0.214 0.000 2.416 541 A HA 0.030 4.350 4.320 -0.000 0.000 0.252 541 A C 0.982 178.387 177.584 -0.299 0.000 1.353 541 A CA -0.342 51.550 52.037 -0.242 0.000 0.996 541 A CB -0.536 18.316 19.000 -0.246 0.000 0.961 541 A HN 0.790 nan 8.150 nan 0.000 0.523 542 M N 1.313 120.702 119.600 -0.353 0.000 2.220 542 M HA 0.425 4.905 4.480 -0.000 0.000 0.343 542 M C 0.981 177.141 176.300 -0.235 0.000 1.470 542 M CA 1.240 56.368 55.300 -0.286 0.000 1.161 542 M CB -0.374 32.088 32.600 -0.229 0.000 1.737 542 M HN 0.771 nan 8.290 nan 0.000 0.464 543 G N 4.507 113.159 108.800 -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 0.420 38.460 38.487 -0.745 0.000 1.331 544 N HN 0.747 nan 8.380 nan 0.000 0.500 545 S N 1.699 117.234 115.700 -0.275 0.000 3.144 545 S HA 0.581 5.050 4.470 -0.000 0.000 0.325 545 S C -0.111 174.413 174.600 -0.127 0.000 1.161 545 S CA -0.388 57.701 58.200 -0.184 0.000 0.920 545 S CB 0.166 63.276 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 0.452 177.349 176.870 0.046 0.000 1.100 546 L CA 0.916 55.732 54.840 -0.040 0.000 1.029 546 L CB -1.730 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 -0.757 108.043 108.800 -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 0.192 45.277 45.100 -0.025 0.000 0.909 547 G HN 1.382 nan 8.290 nan 0.000 0.502 548 G N 1.877 110.731 108.800 0.091 0.000 2.179 548 G HA2 -0.292 3.667 3.960 -0.000 0.000 0.220 548 G HA3 -0.292 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 0.641 45.847 45.100 0.176 0.000 0.646 548 G HN 0.735 nan 8.290 nan 0.000 0.517 549 F N 2.070 122.150 119.950 0.216 0.000 2.087 549 F HA 0.014 4.541 4.527 -0.000 0.000 0.299 549 F C 2.740 178.772 175.800 0.387 0.000 1.100 549 F CA 2.856 61.053 58.000 0.328 0.000 1.226 549 F CB -0.532 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 -0.193 122.787 122.820 0.266 0.000 1.978 550 A HA -0.226 4.094 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 1.721 53.843 52.037 0.141 0.000 0.636 550 A CB -0.693 18.397 19.000 0.149 0.000 0.810 550 A HN 0.421 nan 8.150 nan 0.000 0.448 551 K N -1.390 119.006 120.400 -0.006 0.000 2.044 551 K HA -0.215 4.105 4.320 -0.000 0.000 0.210 551 K C 1.844 178.203 176.600 -0.401 0.000 1.049 551 K CA 2.048 58.238 56.287 -0.162 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 -0.517 119.493 120.300 -0.482 0.000 2.097 552 Y HA -0.278 4.272 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 1.541 58.978 58.100 -1.106 0.000 1.136 552 Y CB -0.577 37.243 38.460 -1.066 0.000 0.975 552 Y HN 0.183 nan 8.280 nan 0.000 0.498 553 W N 0.366 121.227 121.300 -0.732 0.000 2.338 553 W HA -0.254 4.406 4.660 -0.000 0.000 0.304 553 W C 2.714 179.044 176.519 -0.314 0.000 1.212 553 W CA 2.043 59.091 57.345 -0.495 0.000 1.264 553 W CB -0.742 28.515 29.460 -0.339 0.000 1.142 553 W HN 0.153 nan 8.180 nan 0.000 0.512 554 Q N 0.202 119.894 119.800 -0.181 0.000 2.079 554 Q HA -0.187 4.153 4.340 -0.000 0.000 0.200 554 Q C 2.275 178.197 176.000 -0.130 0.000 0.974 554 Q CA 1.930 57.673 55.803 -0.100 0.000 0.840 554 Q CB -0.397 28.299 28.738 -0.070 0.000 0.898 554 Q HN 0.228 nan 8.270 nan 0.000 0.430 555 A N 0.360 123.004 122.820 -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 1.126 53.035 52.037 -0.214 0.000 0.623 555 A CB -1.072 17.675 19.000 -0.422 0.000 0.818 555 A HN 0.535 nan 8.150 nan 0.000 0.443 556 F N -0.296 119.470 119.950 -0.308 0.000 2.120 556 F HA -0.243 4.284 4.527 -0.000 0.000 0.300 556 F C 2.757 178.452 175.800 -0.175 0.000 1.095 556 F CA 1.230 59.019 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 0.158 nan 8.300 nan 0.000 0.480 557 R N 0.036 120.589 120.500 0.089 0.000 2.148 557 R HA -0.182 4.158 4.340 -0.000 0.000 0.227 557 R C 2.068 178.400 176.300 0.054 0.000 1.103 557 R CA 1.283 57.421 56.100 0.064 0.000 0.983 557 R CB -0.383 29.950 30.300 0.055 0.000 0.874 557 R HN 0.429 nan 8.270 nan 0.000 0.451 558 Q N -0.416 119.445 119.800 0.103 0.000 2.376 558 Q HA -0.016 4.324 4.340 -0.000 0.000 0.206 558 Q C -0.582 175.442 176.000 0.040 0.000 0.921 558 Q CA 0.535 56.383 55.803 0.074 0.000 0.911 558 Q CB 0.533 29.331 28.738 0.100 0.000 1.032 558 Q HN 0.177 nan 8.270 nan 0.000 0.510 559 Y N 0.335 120.611 120.300 -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 -2.915 55.161 58.100 -0.039 0.000 1.164 559 Y CB 1.505 39.944 38.460 -0.034 0.000 1.155 559 Y HN 0.073 nan 8.280 nan 0.000 0.478 560 P HA -0.221 nan 4.420 nan 0.000 0.215 560 P C 1.265 178.564 177.300 -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 0.066 4.406 4.340 -0.000 0.000 0.202 561 R C 0.542 176.818 176.300 -0.039 0.000 1.029 561 R CA 0.239 56.337 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 2.039 123.253 121.223 -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 0.107 54.893 54.840 -0.090 0.000 0.839 562 L CB 1.183 43.258 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 0.845 176.440 176.000 -0.675 0.000 0.860 563 Q CA 0.101 55.659 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 -1.263 0.000 2.416 564 G HA2 0.142 4.102 3.960 -0.000 0.000 0.203 564 G HA3 0.142 4.102 3.960 -0.000 0.000 0.203 564 G C -0.337 173.805 174.900 -1.263 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 -0.863 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 -1.872 172.900 174.900 -0.214 0.000 1.313 565 G CA -0.324 44.478 45.100 -0.496 0.000 0.830 565 G HN 1.132 nan 8.290 nan 0.000 0.506 566 F N 0.492 120.668 119.950 0.376 0.000 2.449 566 F HA 0.543 5.070 4.527 -0.000 0.000 0.342 566 F C 0.676 176.752 175.800 0.459 0.000 1.127 566 F CA -0.774 57.471 58.000 0.408 0.000 0.975 566 F CB 2.234 41.372 39.000 0.230 0.000 1.146 566 F HN 0.253 nan 8.300 nan 0.000 0.444 567 V N 3.172 123.380 119.914 0.490 0.000 2.811 567 V HA -0.050 4.070 4.120 -0.000 0.000 0.302 567 V C -0.403 175.839 176.094 0.247 0.000 1.063 567 V CA -0.441 61.958 62.300 0.165 0.000 1.088 567 V CB 1.012 32.907 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 0.136 0.000 1.318 568 W CB 1.380 31.054 29.460 0.357 0.000 1.247 568 W HN 0.901 nan 8.180 nan 0.000 0.414 569 D N 3.056 123.120 120.400 -0.560 0.000 2.752 569 D HA 0.071 4.711 4.640 -0.000 0.000 0.313 569 D C 0.664 176.726 176.300 -0.396 0.000 1.225 569 D CA -0.530 53.021 54.000 -0.749 0.000 0.976 569 D CB 0.307 40.034 40.800 -1.788 0.000 1.443 569 D HN 0.447 nan 8.370 nan 0.000 0.515 570 W N 0.727 121.697 121.300 -0.551 0.000 2.322 570 W HA -0.007 4.653 4.660 -0.000 0.000 0.326 570 W C -0.026 176.241 176.519 -0.418 0.000 1.224 570 W CA 1.511 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 0.919 120.628 119.914 -0.343 0.000 2.769 571 V HA 0.273 4.393 4.120 -0.000 0.000 0.312 571 V C -0.499 175.384 176.094 -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 33.060 31.823 -0.247 0.000 1.010 571 V HN -0.072 nan 8.190 nan 0.000 0.433 572 D N 2.050 122.258 120.400 -0.319 0.000 2.443 572 D HA 0.103 4.743 4.640 -0.000 0.000 0.239 572 D C 0.091 176.223 176.300 -0.280 0.000 1.136 572 D CA 0.366 54.226 54.000 -0.233 0.000 0.879 572 D CB 1.119 41.879 40.800 -0.066 0.000 1.195 572 D HN 0.629 nan 8.370 nan 0.000 0.443 573 Q N 0.980 120.561 119.800 -0.364 0.000 3.207 573 Q HA 0.151 4.491 4.340 -0.000 0.000 0.335 573 Q C -0.370 175.624 176.000 -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 -0.007 115.796 115.700 0.172 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 1.720 123.054 121.223 0.186 0.000 2.330 575 L HA 0.593 4.933 4.340 -0.000 0.000 0.271 575 L C -0.423 176.366 176.870 -0.136 0.000 1.013 575 L CA -1.098 53.713 54.840 -0.049 0.000 0.816 575 L CB 1.432 43.332 42.059 -0.265 0.000 1.287 575 L HN 0.626 nan 8.230 nan 0.000 0.435 576 I N 1.727 122.156 120.570 -0.236 0.000 2.472 576 I HA 0.254 4.423 4.170 -0.000 0.000 0.290 576 I C 0.056 175.792 176.117 -0.635 0.000 1.016 576 I CA 0.158 61.194 61.300 -0.441 0.000 1.348 576 I CB 0.889 38.649 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 -1.779 174.048 176.600 -1.288 0.000 1.011 577 K CA -0.872 54.698 56.287 -1.195 0.000 0.871 577 K CB 2.317 33.817 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 -0.025 176.017 175.900 0.237 0.000 0.987 578 Y CA -1.229 56.862 58.100 -0.015 0.000 1.044 578 Y CB 1.225 39.677 38.460 -0.014 0.000 1.245 578 Y HN 0.640 nan 8.280 nan 0.000 0.461 579 D N -0.372 120.307 120.400 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 -0.566 53.617 54.000 0.305 0.000 1.015 579 D CB 0.755 41.671 40.800 0.193 0.000 1.107 579 D HN 0.539 nan 8.370 nan 0.000 0.529 580 E N -0.023 120.247 120.200 0.117 0.000 2.130 580 E HA -0.213 4.137 4.350 -0.000 0.000 0.196 580 E C 0.784 177.422 176.600 0.063 0.000 0.998 580 E CA 1.366 57.808 56.400 0.069 0.000 0.806 580 E CB -0.666 29.057 29.700 0.038 0.000 0.738 580 E HN 0.427 nan 8.360 nan 0.000 0.459 581 N N 0.530 119.277 118.700 0.078 0.000 2.434 581 N HA 0.114 4.854 4.740 -0.000 0.000 0.196 581 N C 0.637 176.201 175.510 0.090 0.000 1.183 581 N CA 0.828 53.919 53.050 0.068 0.000 0.849 581 N CB 0.305 38.827 38.487 0.058 0.000 0.992 581 N HN 0.316 nan 8.380 nan 0.000 0.460 582 G N 0.724 109.595 108.800 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 -0.469 174.612 174.900 0.302 0.000 1.047 582 G CA -0.262 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 1.026 119.923 118.700 0.329 0.000 2.421 583 N HA 0.489 5.229 4.740 -0.000 0.000 0.285 583 N C -2.463 173.223 175.510 0.294 0.000 1.027 583 N CA -1.483 51.745 53.050 0.298 0.000 0.918 583 N CB 2.115 40.719 38.487 0.196 0.000 1.152 583 N HN 0.129 nan 8.380 nan 0.000 0.485 584 P HA 0.297 nan 4.420 nan 0.000 0.279 584 P C -0.557 176.659 177.300 -0.139 0.000 1.239 584 P CA -0.314 62.505 63.100 -0.468 0.000 0.789 584 P CB 0.629 32.116 31.700 -0.356 0.000 0.933 585 W N -0.162 120.866 121.300 -0.454 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 -1.014 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 0.149 nan 8.180 nan 0.000 0.556 586 S N 1.891 117.660 115.700 0.114 0.000 2.481 586 S HA 0.557 5.027 4.470 -0.000 0.000 0.276 586 S C 0.197 174.979 174.600 0.303 0.000 1.247 586 S CA -0.246 58.024 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 2.832 125.691 122.820 0.066 0.000 2.337 587 A HA 0.878 5.198 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 0.705 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 -0.760 119.896 120.300 0.594 0.000 2.965 588 Y HA 0.766 5.316 4.550 -0.000 0.000 0.310 588 Y C 0.621 176.900 175.900 0.633 0.000 1.480 588 Y CA -1.363 57.071 58.100 0.557 0.000 1.094 588 Y CB -0.020 38.590 38.460 0.250 0.000 1.377 588 Y HN 0.959 nan 8.280 nan 0.000 0.514 589 G N 0.013 109.211 108.800 0.665 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 0.503 45.928 45.100 0.543 0.000 0.896 589 G HN 2.021 nan 8.290 nan 0.000 0.496 590 G N 2.277 111.382 108.800 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 0.880 175.995 174.900 0.357 0.000 0.987 590 G CA 0.716 46.048 45.100 0.388 0.000 0.625 590 G HN 0.669 nan 8.290 nan 0.000 0.532 591 D N -0.362 120.286 120.400 0.414 0.000 2.392 591 D HA 0.147 4.787 4.640 -0.000 0.000 0.228 591 D C 1.248 177.407 176.300 -0.236 0.000 1.003 591 D CA 0.553 54.626 54.000 0.121 0.000 0.917 591 D CB -0.199 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 -1.065 118.999 119.950 0.190 0.000 2.735 592 F HA 0.312 4.839 4.527 -0.000 0.000 0.308 592 F C 1.740 177.622 175.800 0.137 0.000 1.112 592 F CA -0.296 57.780 58.000 0.127 0.000 1.235 592 F CB 0.598 39.667 39.000 0.116 0.000 1.027 592 F HN -0.070 nan 8.300 nan 0.000 0.528 593 G N 0.748 109.708 108.800 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 -0.141 174.902 174.900 0.238 0.000 0.983 593 G CA 0.306 45.530 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 0.393 0.000 1.179 594 D HN 0.059 nan 8.370 nan 0.000 0.456 595 T N 2.332 116.986 114.554 0.166 0.000 2.952 595 T HA 0.482 4.832 4.350 -0.000 0.000 0.305 595 T C -2.360 172.383 174.700 0.073 0.000 1.064 595 T CA -0.949 61.215 62.100 0.107 0.000 1.008 595 T CB 1.975 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 32.462 31.700 -0.044 0.000 1.154 597 N N -1.164 117.524 118.700 -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 1.533 40.094 38.487 0.124 0.000 1.521 597 N HN 0.202 nan 8.380 nan 0.000 0.497 598 D N 0.010 120.349 120.400 -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 0.118 120.828 120.500 0.349 0.000 3.853 599 R HA -0.333 4.007 4.340 -0.000 0.000 0.440 599 R C 1.389 177.720 176.300 0.053 0.000 0.241 599 R CA 1.824 58.128 56.100 0.339 0.000 1.395 599 R CB -1.334 29.097 30.300 0.218 0.000 0.984 599 R HN 0.052 nan 8.270 nan 0.000 0.570 600 Q N 0.268 119.801 119.800 -0.445 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 -0.302 0.000 0.976 600 Q CA 1.657 57.073 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 1.090 120.914 119.950 -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 1.230 59.188 58.000 -0.069 0.000 1.319 601 F CB -0.232 38.814 39.000 0.077 0.000 1.046 601 F HN 0.357 nan 8.300 nan 0.000 0.505 602 C N -1.350 117.575 119.300 -0.624 0.000 2.576 602 C HA 0.223 4.683 4.460 -0.000 0.000 0.267 602 C C 0.973 175.702 174.990 -0.436 0.000 1.364 602 C CA -0.522 58.024 59.018 -0.786 0.000 1.723 602 C CB -1.934 24.889 27.740 -1.529 0.000 1.778 602 C HN 0.200 nan 8.230 nan 0.000 0.572 603 M N 2.966 122.352 119.600 -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 0.245 55.393 55.300 -0.253 0.000 0.962 603 M CB 0.510 33.020 32.600 -0.150 0.000 1.423 603 M HN 0.218 nan 8.290 nan 0.000 0.405 604 N N 1.574 120.091 118.700 -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 -0.380 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 -0.011 108.531 108.800 -0.429 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 0.890 175.330 174.900 -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 -0.245 120.521 121.223 -0.762 0.000 2.418 606 L HA 0.155 4.495 4.340 -0.000 0.000 0.218 606 L C 0.714 176.907 176.870 -1.128 0.000 1.125 606 L CA 0.274 54.656 54.840 -0.763 0.000 0.835 606 L CB -0.088 41.681 42.059 -0.484 0.000 0.953 606 L HN 0.394 nan 8.230 nan 0.000 0.454 607 V N -5.282 113.871 119.914 -1.269 0.000 3.040 607 V HA 0.461 4.581 4.120 -0.000 0.000 0.312 607 V C -0.433 175.171 176.094 -0.816 0.000 1.115 607 V CA -1.243 60.433 62.300 -1.040 0.000 0.998 607 V CB 1.681 32.965 31.823 -0.897 0.000 1.042 607 V HN -0.132 nan 8.190 nan 0.000 0.433 608 F N 1.467 121.265 119.950 -0.254 0.000 2.450 608 F HA 0.543 5.070 4.527 -0.000 0.000 0.339 608 F C 1.956 177.664 175.800 -0.155 0.000 1.146 608 F CA 0.414 58.386 58.000 -0.047 0.000 1.267 608 F CB 1.387 40.391 39.000 0.007 0.000 1.178 608 F HN 0.825 nan 8.300 nan 0.000 0.585 609 A N 1.267 124.167 122.820 0.133 0.000 1.997 609 A HA -0.295 4.025 4.320 -0.000 0.000 0.221 609 A C 1.536 179.085 177.584 -0.058 0.000 1.172 609 A CA 2.182 54.236 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 -3.094 117.292 120.400 -0.024 0.000 2.336 610 D HA 0.200 4.840 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 0.012 53.973 54.000 -0.065 0.000 0.875 610 D CB -0.069 40.699 40.800 -0.054 0.000 0.904 610 D HN 0.184 nan 8.370 nan 0.000 0.525 611 R N -0.796 119.672 120.500 -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 -2.343 112.249 114.554 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 -2.453 59.737 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 -0.143 177.201 177.300 0.073 0.000 1.205 613 P CA -0.079 63.000 63.100 -0.035 0.000 0.771 613 P CB 0.236 31.927 31.700 -0.016 0.000 0.858 614 H N 2.954 121.810 119.070 -0.356 0.000 2.495 614 H HA 0.159 4.715 4.556 -0.000 0.000 0.350 614 H C -1.259 173.959 175.328 -0.184 0.000 1.202 614 H CA -2.085 53.746 56.048 -0.363 0.000 1.322 614 H CB 0.584 30.102 29.762 -0.407 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 1.275 64.363 63.100 -0.020 0.000 0.814 615 P CB -0.036 31.648 31.700 -0.026 0.000 0.787 616 A N 0.042 122.859 122.820 -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 53.539 52.037 -0.066 0.000 0.640 616 A CB -1.743 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 -0.040 121.140 121.223 -0.071 0.000 2.137 617 L HA -0.189 4.151 4.340 -0.000 0.000 0.213 617 L C 2.437 179.333 176.870 0.043 0.000 1.085 617 L CA 2.742 57.567 54.840 -0.025 0.000 0.760 617 L CB -0.808 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 -1.519 113.067 114.554 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 1.203 63.388 62.100 0.142 0.000 1.140 618 T CB -0.159 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 -0.099 4.251 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 1.401 57.845 56.400 0.074 0.000 0.801 619 E CB -0.534 29.177 29.700 0.018 0.000 0.743 619 E HN 0.447 nan 8.360 nan 0.000 0.453 620 A N 0.909 123.625 122.820 -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 -0.169 0.000 1.186 620 A CA 2.042 53.928 52.037 -0.252 0.000 0.620 620 A CB -0.698 18.134 19.000 -0.280 0.000 0.822 620 A HN 0.290 nan 8.150 nan 0.000 0.443 621 K N -1.247 119.128 120.400 -0.042 0.000 2.074 621 K HA -0.303 4.017 4.320 -0.000 0.000 0.209 621 K C 2.060 178.573 176.600 -0.145 0.000 1.048 621 K CA 2.122 58.398 56.287 -0.019 0.000 0.926 621 K CB -0.351 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 0.307 119.214 119.070 -0.271 0.000 2.326 622 H HA -0.018 4.538 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 1.813 57.513 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 0.235 nan 8.280 nan 0.000 0.504 623 Q N 0.237 119.762 119.800 -0.459 0.000 2.291 623 Q HA -0.106 4.234 4.340 -0.000 0.000 0.206 623 Q C 1.655 177.116 176.000 -0.898 0.000 0.976 623 Q CA 1.241 56.683 55.803 -0.601 0.000 0.875 623 Q CB 0.015 28.512 28.738 -0.402 0.000 0.927 623 Q HN 0.731 nan 8.270 nan 0.000 0.450 624 Q N 0.753 120.020 119.800 -0.890 0.000 2.360 624 Q HA 0.027 4.367 4.340 -0.000 0.000 0.202 624 Q C 0.122 175.573 176.000 -0.915 0.000 0.915 624 Q CA -0.243 54.905 55.803 -1.092 0.000 0.943 624 Q CB 0.231 28.354 28.738 -1.025 0.000 1.064 624 Q HN 0.457 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 -0.037 4.303 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 0.321 55.842 55.803 -0.470 0.000 0.923 625 Q CB 0.322 28.933 28.738 -0.212 0.000 1.283 625 Q HN 0.167 nan 8.270 nan 0.000 0.447 626 F N -0.074 119.621 119.950 -0.425 0.000 2.797 626 F HA 0.260 4.787 4.527 -0.000 0.000 0.302 626 F C -0.106 175.122 175.800 -0.953 0.000 1.130 626 F CA 0.002 57.516 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 0.208 120.067 119.950 -0.153 0.000 2.495 627 F HA 0.488 5.015 4.527 -0.000 0.000 0.327 627 F C -0.086 175.374 175.800 -0.565 0.000 1.103 627 F CA -1.038 56.777 58.000 -0.308 0.000 0.949 627 F CB 1.275 40.110 39.000 -0.276 0.000 1.142 627 F HN -0.320 nan 8.300 nan 0.000 0.457 628 Q N 3.131 122.659 119.800 -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 -0.576 0.000 1.061 628 Q CA -0.662 54.875 55.803 -0.443 0.000 0.816 628 Q CB 3.046 31.674 28.738 -0.182 0.000 1.325 628 Q HN 0.539 nan 8.270 nan 0.000 0.446 629 F N 0.345 120.413 119.950 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 57.338 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 1.840 122.654 120.500 0.524 0.000 2.628 630 R HA 0.622 4.962 4.340 -0.000 0.000 0.288 630 R C -1.987 174.397 176.300 0.139 0.000 0.980 630 R CA -1.161 55.145 56.100 0.345 0.000 0.891 630 R CB 2.652 33.060 30.300 0.179 0.000 1.188 630 R HN 0.610 nan 8.270 nan 0.000 0.450 631 L N 1.503 122.699 121.223 -0.045 0.000 2.313 631 L HA 0.476 4.816 4.340 -0.000 0.000 0.283 631 L C -0.981 175.740 176.870 -0.249 0.000 1.013 631 L CA 0.151 54.730 54.840 -0.435 0.000 0.816 631 L CB 1.951 43.280 42.059 -1.217 0.000 1.236 631 L HN 0.468 nan 8.230 nan 0.000 0.419 632 S N 3.903 119.479 115.700 -0.205 0.000 2.774 632 S HA 0.696 5.166 4.470 -0.000 0.000 0.297 632 S C 0.374 174.890 174.600 -0.141 0.000 1.143 632 S CA 0.225 58.344 58.200 -0.135 0.000 1.090 632 S CB 0.222 63.378 63.200 -0.073 0.000 1.019 632 S HN 1.476 nan 8.310 nan 0.000 0.482 633 G N 4.247 112.961 108.800 -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 0.587 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 1.244 120.953 119.800 -0.152 0.000 2.198 634 Q HA 0.239 4.579 4.340 -0.000 0.000 0.209 634 Q C -0.068 175.814 176.000 -0.197 0.000 0.848 634 Q CA 0.607 56.301 55.803 -0.182 0.000 0.974 634 Q CB 0.707 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 -0.401 61.611 62.100 -0.147 0.000 0.979 635 T CB 1.574 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 2.401 122.895 120.570 -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 -0.717 60.546 61.300 -0.062 0.000 1.225 636 I CB 1.542 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 6.379 126.641 120.200 0.103 0.000 2.134 637 E HA 0.476 4.826 4.350 -0.000 0.000 0.278 637 E C -1.555 175.156 176.600 0.185 0.000 0.959 637 E CA -0.578 55.892 56.400 0.117 0.000 0.783 637 E CB 1.618 31.365 29.700 0.079 0.000 1.095 637 E HN 0.367 nan 8.360 nan 0.000 0.399 638 V N 3.801 123.801 119.914 0.144 0.000 2.513 638 V HA 0.411 4.531 4.120 -0.000 0.000 0.299 638 V C -0.117 176.001 176.094 0.041 0.000 1.035 638 V CA -0.621 61.733 62.300 0.090 0.000 0.889 638 V CB 1.931 33.835 31.823 0.135 0.000 0.988 638 V HN 0.741 nan 8.190 nan 0.000 0.440 639 T N 2.677 117.211 114.554 -0.033 0.000 2.848 639 T HA 0.373 4.723 4.350 -0.000 0.000 0.285 639 T C -0.313 174.379 174.700 -0.013 0.000 0.995 639 T CA -0.348 61.742 62.100 -0.015 0.000 0.970 639 T CB 1.645 70.485 68.868 -0.047 0.000 0.976 639 T HN 0.677 nan 8.240 nan 0.000 0.441 640 S N 1.595 117.295 115.700 0.000 0.000 2.480 640 S HA 0.261 4.731 4.470 -0.000 0.000 0.286 640 S C 0.618 175.108 174.600 -0.184 0.000 1.180 640 S CA -0.586 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 0.354 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 0.449 120.651 120.300 -0.163 0.000 2.319 642 Y HA 0.092 4.642 4.550 -0.000 0.000 0.328 642 Y C 1.396 177.143 175.900 -0.254 0.000 1.133 642 Y CA -0.253 57.729 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 0.019 4.359 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 0.931 55.361 54.840 -0.684 0.000 0.816 643 L CB 0.005 41.209 42.059 -1.426 0.000 0.967 643 L HN 0.679 nan 8.230 nan 0.000 0.460 644 F N -0.606 119.364 119.950 0.033 0.000 2.747 644 F HA 0.197 4.724 4.527 -0.000 0.000 0.305 644 F C 1.265 177.044 175.800 -0.034 0.000 1.065 644 F CA -0.793 57.196 58.000 -0.018 0.000 1.230 644 F CB 0.363 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 -0.222 120.311 120.500 0.055 0.000 2.674 645 R HA 0.521 4.861 4.340 -0.000 0.000 0.266 645 R C -1.114 175.172 176.300 -0.024 0.000 1.016 645 R CA -0.727 55.344 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 -0.160 118.876 119.070 -0.055 0.000 2.483 646 H HA 0.171 4.727 4.556 -0.000 0.000 0.338 646 H C -0.168 175.168 175.328 0.013 0.000 1.152 646 H CA -0.321 55.733 56.048 0.009 0.000 1.264 646 H CB 1.413 31.189 29.762 0.024 0.000 1.510 646 H HN 0.747 nan 8.280 nan 0.000 0.530 647 S N 2.170 117.736 115.700 -0.223 0.000 4.053 647 S HA -0.052 4.418 4.470 -0.000 0.000 0.184 647 S C 0.204 174.919 174.600 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 62.388 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 0.011 4.651 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 -0.117 53.983 54.000 0.167 0.000 0.861 648 D CB -0.252 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 0.008 118.767 118.700 0.098 0.000 2.622 649 N HA 0.125 4.865 4.740 -0.000 0.000 0.293 649 N C -1.581 173.986 175.510 0.094 0.000 1.788 649 N CA -0.247 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 -0.069 nan 8.380 nan 0.000 0.496 650 E N 0.090 120.341 120.200 0.086 0.000 2.246 650 E HA 0.447 4.797 4.350 -0.000 0.000 0.266 650 E C -1.574 175.055 176.600 0.048 0.000 0.880 650 E CA -0.597 55.837 56.400 0.057 0.000 0.762 650 E CB 1.957 31.658 29.700 0.003 0.000 1.180 650 E HN 0.076 nan 8.360 nan 0.000 0.416 651 L N 3.424 124.676 121.223 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 1.544 43.673 42.059 0.116 0.000 1.259 651 L HN 0.595 nan 8.230 nan 0.000 0.418 652 L N 5.124 126.454 121.223 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 0.076 55.051 54.840 0.224 0.000 0.820 652 L CB 0.381 42.567 42.059 0.212 0.000 1.204 652 L HN 0.569 nan 8.230 nan 0.000 0.424 653 H N 5.752 124.881 119.070 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 0.124 0.000 1.094 653 H CA -0.704 55.364 56.048 0.033 0.000 1.253 653 H CB 0.966 30.712 29.762 -0.025 0.000 1.439 653 H HN 0.706 nan 8.280 nan 0.000 0.479 654 W N 3.434 124.803 121.300 0.114 0.000 2.929 654 W HA 0.588 5.248 4.660 -0.000 0.000 0.345 654 W C -1.406 175.152 176.519 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 0.591 0.000 2.569 655 M HA 0.528 5.008 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 -0.520 54.989 55.300 0.348 0.000 0.885 655 M CB 1.768 34.373 32.600 0.009 0.000 1.759 655 M HN 0.134 nan 8.290 nan 0.000 0.515 656 V N 2.488 122.620 119.914 0.363 0.000 2.495 656 V HA 1.039 5.159 4.120 -0.000 0.000 0.298 656 V C -0.187 176.022 176.094 0.193 0.000 1.031 656 V CA 0.020 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 4.168 127.113 122.820 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 20.878 19.000 0.078 0.000 1.296 657 A HN 0.842 nan 8.150 nan 0.000 0.405 658 L N 1.251 122.570 121.223 0.159 0.000 2.294 658 L HA 0.581 4.921 4.340 -0.000 0.000 0.283 658 L C -0.460 176.516 176.870 0.177 0.000 1.015 658 L CA 0.284 55.233 54.840 0.181 0.000 0.831 658 L CB 0.504 42.633 42.059 0.115 0.000 1.217 658 L HN 0.769 nan 8.230 nan 0.000 0.420 659 D N 4.662 125.238 120.400 0.293 0.000 2.733 659 D HA -0.211 4.429 4.640 -0.000 0.000 0.232 659 D C 1.172 177.504 176.300 0.053 0.000 1.161 659 D CA 1.657 55.808 54.000 0.252 0.000 0.653 659 D CB -0.991 39.923 40.800 0.191 0.000 1.052 659 D HN 1.179 nan 8.370 nan 0.000 0.424 660 G N -1.379 107.415 108.800 -0.011 0.000 2.254 660 G HA2 -0.344 3.615 3.960 -0.000 0.000 0.225 660 G HA3 -0.344 3.615 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 0.241 45.232 45.100 -0.182 0.000 0.622 660 G HN 0.429 nan 8.290 nan 0.000 0.507 661 K N 2.431 122.811 120.400 -0.034 0.000 2.285 661 K HA 0.542 4.862 4.320 -0.000 0.000 0.286 661 K C -2.555 174.045 176.600 0.001 0.000 1.072 661 K CA -1.890 54.382 56.287 -0.026 0.000 0.913 661 K CB 1.564 34.061 32.500 -0.005 0.000 1.067 661 K HN 0.131 nan 8.250 nan 0.000 0.479 662 P HA 0.079 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 -0.074 63.020 63.100 -0.010 0.000 0.768 662 P CB 0.760 32.429 31.700 -0.051 0.000 0.856 663 L N 1.446 122.696 121.223 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 -0.079 0.000 1.056 664 A CA -0.120 51.966 52.037 0.081 0.000 0.693 664 A CB 1.557 20.729 19.000 0.286 0.000 1.278 664 A HN 0.051 nan 8.150 nan 0.000 0.408 665 S N 0.261 115.681 115.700 -0.466 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 -1.623 0.000 1.130 665 S CA -0.014 57.548 58.200 -1.064 0.000 0.855 665 S CB 1.612 64.481 63.200 -0.552 0.000 1.116 665 S HN 2.460 nan 8.310 nan 0.000 0.472 666 G N -0.156 107.251 108.800 -2.323 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 -1.451 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 0.571 4.921 4.350 -0.000 0.000 0.277 667 E C -1.631 175.040 176.600 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 4.767 124.797 119.914 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 60.723 62.300 0.174 0.000 0.917 668 V CB 2.170 34.111 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 -0.839 176.519 177.300 0.097 0.000 1.244 669 P CA -0.187 62.975 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 2.829 124.098 121.223 0.077 0.000 2.350 670 L HA 0.353 4.693 4.340 -0.000 0.000 0.275 670 L C 0.475 177.404 176.870 0.099 0.000 1.099 670 L CA 0.197 55.072 54.840 0.059 0.000 0.808 670 L CB 0.628 42.670 42.059 -0.029 0.000 1.149 670 L HN 0.360 nan 8.230 nan 0.000 0.442 671 D N 2.306 122.770 120.400 0.108 0.000 2.586 671 D HA 0.383 5.023 4.640 -0.000 0.000 0.254 671 D C -1.337 175.006 176.300 0.072 0.000 1.248 671 D CA -0.118 54.005 54.000 0.205 0.000 0.843 671 D CB 0.943 41.880 40.800 0.228 0.000 1.332 671 D HN 0.100 nan 8.370 nan 0.000 0.523 672 V N 0.523 120.305 119.914 -0.221 0.000 2.656 672 V HA 0.930 5.050 4.120 -0.000 0.000 0.307 672 V C 0.590 176.380 176.094 -0.507 0.000 1.051 672 V CA -1.338 60.850 62.300 -0.188 0.000 0.893 672 V CB 1.456 33.296 31.823 0.027 0.000 0.999 672 V HN 0.455 nan 8.190 nan 0.000 0.426 673 A N 4.978 127.702 122.820 -0.160 0.000 2.322 673 A HA 0.811 5.131 4.320 -0.000 0.000 0.269 673 A C -2.401 175.178 177.584 -0.008 0.000 1.094 673 A CA -1.721 50.298 52.037 -0.030 0.000 0.807 673 A CB -0.041 19.031 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 -0.429 176.864 177.300 -0.012 0.000 1.173 674 P CA 0.732 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 -1.223 118.556 119.800 -0.035 0.000 2.406 675 Q HA -0.185 4.155 4.340 -0.000 0.000 0.236 675 Q C 0.695 176.684 176.000 -0.018 0.000 0.799 675 Q CA 1.490 57.265 55.803 -0.047 0.000 1.286 675 Q CB -2.473 26.229 28.738 -0.060 0.000 1.615 675 Q HN 0.757 nan 8.270 nan 0.000 0.621 676 G N 0.231 109.033 108.800 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 -0.514 174.403 174.900 0.028 0.000 1.240 676 G CA -0.689 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 -0.407 120.015 120.400 0.035 0.000 2.267 677 K HA 0.467 4.787 4.320 -0.000 0.000 0.246 677 K C -0.867 175.767 176.600 0.056 0.000 0.954 677 K CA -0.570 55.743 56.287 0.044 0.000 0.824 677 K CB 2.371 34.891 32.500 0.034 0.000 1.167 677 K HN 0.556 nan 8.250 nan 0.000 0.431 678 Q N 3.175 123.016 119.800 0.068 0.000 2.305 678 Q HA 0.353 4.693 4.340 -0.000 0.000 0.271 678 Q C -1.596 174.447 176.000 0.073 0.000 1.046 678 Q CA -0.638 55.209 55.803 0.073 0.000 0.798 678 Q CB 1.352 30.139 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 -0.336 176.556 176.870 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 43.258 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 -0.253 175.831 176.117 -0.056 0.000 1.021 680 I CA -0.700 60.601 61.300 0.002 0.000 1.091 680 I CB 2.104 40.120 38.000 0.027 0.000 1.242 680 I HN 0.492 nan 8.210 nan 0.000 0.439 681 E N 6.509 126.679 120.200 -0.051 0.000 2.223 681 E HA 0.411 4.761 4.350 -0.000 0.000 0.282 681 E C -0.664 175.859 176.600 -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 31.102 29.700 -0.043 0.000 1.055 681 E HN 0.475 nan 8.360 nan 0.000 0.409 682 L N 6.007 127.119 121.223 -0.184 0.000 2.325 682 L HA 0.362 4.702 4.340 -0.000 0.000 0.279 682 L C -1.917 174.845 176.870 -0.180 0.000 1.054 682 L CA -1.946 52.732 54.840 -0.271 0.000 0.804 682 L CB 1.334 43.150 42.059 -0.405 0.000 1.200 682 L HN 0.238 nan 8.230 nan 0.000 0.436 683 P HA 0.030 nan 4.420 nan 0.000 0.272 683 P C -0.476 176.774 177.300 -0.083 0.000 1.223 683 P CA -0.433 62.624 63.100 -0.071 0.000 0.784 683 P CB 0.510 32.215 31.700 0.008 0.000 0.923 684 E N 1.430 121.604 120.200 -0.043 0.000 2.652 684 E HA -0.044 4.306 4.350 -0.000 0.000 0.255 684 E C -0.157 176.426 176.600 -0.027 0.000 0.952 684 E CA 0.620 56.997 56.400 -0.038 0.000 0.947 684 E CB 0.109 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 6.301 127.497 121.223 -0.044 0.000 2.357 685 L HA 0.314 4.654 4.340 -0.000 0.000 0.273 685 L C -1.908 174.963 176.870 0.002 0.000 1.080 685 L CA -2.135 52.691 54.840 -0.023 0.000 0.803 685 L CB 0.678 42.704 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 -0.886 176.427 177.300 0.022 0.000 1.204 686 P CA -0.219 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 2.484 122.294 119.800 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 -1.707 54.102 55.803 0.010 0.000 1.079 687 Q CB -0.442 28.297 28.738 0.001 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 0.103 177.416 177.300 0.022 0.000 1.171 688 P CA 0.413 63.529 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 0.537 120.750 120.200 0.022 0.000 2.127 689 E HA 0.007 4.357 4.350 -0.000 0.000 0.191 689 E C 0.611 177.225 176.600 0.023 0.000 0.964 689 E CA 0.480 56.891 56.400 0.019 0.000 0.832 689 E CB -0.445 29.266 29.700 0.017 0.000 0.790 689 E HN 0.562 nan 8.360 nan 0.000 0.465 690 S N 1.288 117.005 115.700 0.028 0.000 2.537 690 S HA 0.155 4.625 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 0.163 58.383 58.200 0.034 0.000 1.025 690 S CB 0.516 63.738 63.200 0.037 0.000 0.836 690 S HN 0.292 nan 8.310 nan 0.000 0.523 691 A N 1.006 123.852 122.820 0.044 0.000 2.302 691 A HA 0.818 5.138 4.320 -0.000 0.000 0.285 691 A C 0.811 178.434 177.584 0.065 0.000 1.105 691 A CA 0.177 52.243 52.037 0.048 0.000 0.816 691 A CB 0.222 19.252 19.000 0.049 0.000 1.067 691 A HN 1.774 nan 8.150 nan 0.000 0.489 692 G N -0.033 108.807 108.800 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 -1.380 173.569 174.900 0.083 0.000 1.302 692 G CA -0.880 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 -0.575 119.310 119.800 0.142 0.000 2.293 693 Q HA 0.615 4.955 4.340 -0.000 0.000 0.261 693 Q C -0.919 175.179 176.000 0.165 0.000 0.960 693 Q CA -0.762 55.091 55.803 0.083 0.000 0.882 693 Q CB 2.403 31.242 28.738 0.168 0.000 1.275 693 Q HN 0.463 nan 8.270 nan 0.000 0.445 694 L N 3.626 124.821 121.223 -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 0.015 54.877 54.840 0.035 0.000 0.810 694 L CB 0.450 42.506 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 -1.054 175.576 176.519 0.185 0.000 1.077 695 W CA -0.703 56.735 57.345 0.155 0.000 1.226 695 W CB 1.703 31.282 29.460 0.199 0.000 1.419 695 W HN 0.279 nan 8.180 nan 0.000 0.502 696 L N 3.043 124.567 121.223 0.501 0.000 2.295 696 L HA 0.817 5.157 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 1.314 43.577 42.059 0.339 0.000 1.214 696 L HN 0.372 nan 8.230 nan 0.000 0.426 697 T N 4.790 119.596 114.554 0.419 0.000 2.886 697 T HA 0.663 5.013 4.350 -0.000 0.000 0.292 697 T C -0.879 174.008 174.700 0.311 0.000 1.012 697 T CA -0.479 61.818 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 1.255 121.305 119.914 0.227 0.000 2.680 698 V HA 0.864 4.984 4.120 -0.000 0.000 0.309 698 V C -0.773 175.386 176.094 0.108 0.000 1.052 698 V CA -1.119 61.277 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 2.199 122.785 120.500 0.144 0.000 2.771 699 R HA 0.835 5.175 4.340 -0.000 0.000 0.274 699 R C -1.716 174.663 176.300 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 2.870 122.885 119.914 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 -0.029 0.000 2.680 701 V HA 0.478 4.598 4.120 -0.000 0.000 0.309 701 V C -0.401 175.707 176.094 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 4.135 123.975 119.800 0.066 0.000 2.465 702 Q HA 0.277 4.617 4.340 -0.000 0.000 0.237 702 Q C -1.837 174.184 176.000 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 30.712 28.738 0.125 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 -0.853 117.844 118.700 -0.005 0.000 2.492 704 N HA 0.442 5.182 4.740 -0.000 0.000 0.289 704 N C -0.272 175.195 175.510 -0.072 0.000 1.133 704 N CA -0.645 52.388 53.050 -0.028 0.000 0.961 704 N CB 0.678 39.151 38.487 -0.022 0.000 1.186 704 N HN 0.015 nan 8.380 nan 0.000 0.493 705 A N 0.414 123.181 122.820 -0.088 0.000 2.346 705 A HA 0.547 4.867 4.320 -0.000 0.000 0.252 705 A C 0.554 178.011 177.584 -0.213 0.000 1.089 705 A CA -0.141 51.802 52.037 -0.157 0.000 0.797 705 A CB 0.007 18.933 19.000 -0.123 0.000 1.047 705 A HN 0.735 nan 8.150 nan 0.000 0.494 706 T N -3.529 110.800 114.554 -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 69.445 68.868 -0.898 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 -0.971 120.375 121.300 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 -1.170 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 -0.826 0.000 2.556 709 S HA 0.449 4.919 4.470 -0.000 0.000 0.271 709 S C -0.559 173.774 174.600 -0.444 0.000 1.135 709 S CA -0.616 57.134 58.200 -0.751 0.000 0.858 709 S CB 2.814 65.174 63.200 -1.400 0.000 1.114 709 S HN 0.063 nan 8.310 nan 0.000 0.468 710 E N 0.874 120.932 120.200 -0.238 0.000 2.342 710 E HA 0.533 4.883 4.350 -0.000 0.000 0.257 710 E C 0.399 176.951 176.600 -0.079 0.000 1.150 710 E CA -0.560 55.773 56.400 -0.111 0.000 0.926 710 E CB 1.134 30.820 29.700 -0.023 0.000 1.074 710 E HN 0.881 nan 8.360 nan 0.000 0.449 711 A N -0.123 122.668 122.820 -0.047 0.000 2.407 711 A HA 0.443 4.763 4.320 -0.000 0.000 0.248 711 A C 1.006 178.598 177.584 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 0.327 109.140 108.800 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 0.066 174.996 174.900 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 0.089 119.149 119.070 -0.018 0.000 2.652 713 H HA 0.542 5.098 4.556 -0.000 0.000 0.349 713 H C 0.443 175.814 175.328 0.073 0.000 1.099 713 H CA -0.682 55.381 56.048 0.026 0.000 1.417 713 H CB 0.371 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 4.586 124.851 120.570 -0.508 0.000 2.325 714 I HA 0.037 4.207 4.170 -0.000 0.000 0.291 714 I C 1.072 177.037 176.117 -0.254 0.000 1.019 714 I CA -0.027 61.119 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 3.796 119.564 115.700 0.113 0.000 2.526 715 S HA 0.664 5.134 4.470 -0.000 0.000 0.220 715 S C 0.489 175.343 174.600 0.424 0.000 1.017 715 S CA 0.116 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 -1.732 176.215 177.584 0.605 0.000 1.062 716 A CA -0.903 51.405 52.037 0.452 0.000 0.682 716 A CB 0.440 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 -0.011 121.460 121.300 0.285 0.000 3.005 717 W HA 0.809 5.469 4.660 -0.000 0.000 0.343 717 W C -1.184 175.376 176.519 0.067 0.000 1.243 717 W CA -0.643 56.757 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 1.709 121.566 119.800 0.096 0.000 2.574 718 Q HA 0.302 4.642 4.340 -0.000 0.000 0.265 718 Q C -1.561 174.234 176.000 -0.342 0.000 0.975 718 Q CA -0.575 55.102 55.803 -0.210 0.000 0.923 718 Q CB 1.975 30.425 28.738 -0.480 0.000 1.518 718 Q HN 0.674 nan 8.270 nan 0.000 0.401 719 Q N 2.608 122.181 119.800 -0.378 0.000 2.458 719 Q HA 0.758 5.098 4.340 -0.000 0.000 0.282 719 Q C -1.222 174.673 176.000 -0.174 0.000 1.106 719 Q CA -0.664 55.065 55.803 -0.124 0.000 0.814 719 Q CB 2.027 30.877 28.738 0.186 0.000 1.425 719 Q HN 0.633 nan 8.270 nan 0.000 0.437 720 W N 1.197 122.700 121.300 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 0.026 0.000 1.187 720 W CA -0.800 56.663 57.345 0.197 0.000 1.198 720 W CB 2.213 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 2.599 122.999 120.500 -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 55.452 56.100 -0.847 0.000 0.878 721 R CB 0.610 30.041 30.300 -1.448 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 1.020 55.767 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 -0.808 121.895 122.820 -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 1.856 20.807 19.000 -0.081 0.000 1.282 723 A HN 0.057 nan 8.150 nan 0.000 0.421 724 E N 0.408 120.551 120.200 -0.095 0.000 2.275 724 E HA 0.425 4.775 4.350 -0.000 0.000 0.270 724 E C -1.677 174.908 176.600 -0.026 0.000 0.882 724 E CA -0.640 55.722 56.400 -0.064 0.000 0.758 724 E CB 1.273 30.933 29.700 -0.068 0.000 1.195 724 E HN 0.544 nan 8.360 nan 0.000 0.419 725 N N 4.597 123.295 118.700 -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 39.542 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 0.113 54.970 54.840 0.028 0.000 0.846 726 L CB 0.543 42.617 42.059 0.025 0.000 1.111 726 L HN 0.331 nan 8.230 nan 0.000 0.475 727 S N 1.398 117.123 115.700 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 -0.898 57.328 58.200 0.043 0.000 1.053 727 S CB 0.811 64.041 63.200 0.052 0.000 0.953 727 S HN 0.437 nan 8.310 nan 0.000 0.488 728 V N 2.573 122.506 119.914 0.032 0.000 3.376 728 V HA 0.299 4.419 4.120 -0.000 0.000 0.313 728 V C 0.869 176.979 176.094 0.028 0.000 1.393 728 V CA -0.015 62.301 62.300 0.028 0.000 1.125 728 V CB -1.061 30.775 31.823 0.023 0.000 1.037 728 V HN 0.838 nan 8.190 nan 0.000 0.440 729 T N 0.114 114.686 114.554 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 -0.496 61.621 62.100 0.029 0.000 1.015 729 T CB 1.905 70.790 68.868 0.028 0.000 1.044 729 T HN 0.210 nan 8.240 nan 0.000 0.520 730 L N 1.815 123.052 121.223 0.025 0.000 2.334 730 L HA 0.599 4.939 4.340 -0.000 0.000 0.273 730 L C -1.969 174.913 176.870 0.019 0.000 1.013 730 L CA -2.124 52.729 54.840 0.022 0.000 0.816 730 L CB 0.527 42.596 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 -0.718 176.581 177.300 -0.001 0.000 1.216 731 P CA -0.410 62.697 63.100 0.011 0.000 0.771 731 P CB 0.966 32.672 31.700 0.011 0.000 0.864 732 A N 2.645 125.461 122.820 -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 -0.195 51.831 52.037 -0.019 0.000 0.802 732 A CB -0.155 18.840 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 0.476 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 0.718 116.259 115.700 -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 -0.726 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 0.585 175.921 175.328 0.013 0.000 0.980 735 H CA 0.554 56.609 56.048 0.013 0.000 1.152 735 H CB -0.091 29.678 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 -1.554 119.038 120.570 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 40.410 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 -1.328 176.060 177.300 0.147 0.000 1.211 738 P CA 0.382 63.540 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 1.896 120.995 119.070 0.048 0.000 2.587 739 H HA 0.371 4.927 4.556 -0.000 0.000 0.325 739 H C -1.017 174.338 175.328 0.045 0.000 1.012 739 H CA -1.110 54.960 56.048 0.036 0.000 1.213 739 H CB 0.956 30.741 29.762 0.038 0.000 1.431 739 H HN 0.201 nan 8.280 nan 0.000 0.492 740 L N 5.068 126.167 121.223 -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 -0.345 0.000 1.092 740 L CA 0.275 54.971 54.840 -0.241 0.000 0.810 740 L CB 1.389 43.372 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 0.428 4.778 4.350 -0.000 0.000 0.297 741 T C -0.635 174.113 174.700 0.081 0.000 1.013 741 T CA -0.459 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 2.591 117.212 114.554 0.112 0.000 2.821 742 T HA 0.487 4.837 4.350 -0.000 0.000 0.307 742 T C 0.605 175.367 174.700 0.104 0.000 1.034 742 T CA -0.479 61.746 62.100 0.208 0.000 0.953 742 T CB 1.031 70.050 68.868 0.252 0.000 0.968 742 T HN 0.636 nan 8.240 nan 0.000 0.462 743 S N 2.160 117.895 115.700 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 64.193 63.200 -0.004 0.000 1.084 743 S HN 0.779 nan 8.310 nan 0.000 0.541 744 E N -0.987 119.184 120.200 -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 0.124 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 1.253 120.793 119.600 -0.101 0.000 2.501 745 M HA 0.161 4.641 4.480 -0.000 0.000 0.261 745 M C -0.318 175.892 176.300 -0.150 0.000 1.129 745 M CA 0.789 56.030 55.300 -0.098 0.000 1.126 745 M CB -0.256 32.319 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 -0.246 0.000 1.390 746 D CA -0.701 53.142 54.000 -0.262 0.000 0.838 746 D CB 0.636 41.419 40.800 -0.029 0.000 1.416 746 D HN -0.039 nan 8.370 nan 0.000 0.493 750 E N 4.341 124.685 120.200 0.240 0.000 2.277 750 E HA 0.881 5.231 4.350 -0.000 0.000 0.266 750 E C -1.680 175.092 176.600 0.288 0.000 0.901 750 E CA -0.834 55.713 56.400 0.245 0.000 0.782 750 E CB 2.924 32.703 29.700 0.130 0.000 1.228 750 E HN 0.554 nan 8.360 nan 0.000 0.424 751 L N 3.793 125.174 121.223 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 0.721 55.696 54.840 0.226 0.000 1.056 751 L CB 0.799 43.044 42.059 0.309 0.000 1.437 751 L HN 0.757 nan 8.230 nan 0.000 0.514 752 G N 3.804 112.654 108.800 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 0.564 175.464 174.900 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 1.010 119.695 118.700 -0.025 0.000 2.396 753 N HA 0.006 4.746 4.740 -0.000 0.000 0.180 753 N C 0.833 176.282 175.510 -0.103 0.000 1.028 753 N CA 1.447 54.462 53.050 -0.057 0.000 0.893 753 N CB -0.155 38.301 38.487 -0.052 0.000 0.967 753 N HN 0.777 nan 8.380 nan 0.000 0.440 754 K N 0.387 120.706 120.400 -0.135 0.000 2.270 754 K HA 0.316 4.636 4.320 -0.000 0.000 0.276 754 K C -0.136 176.247 176.600 -0.362 0.000 1.023 754 K CA -0.075 56.006 56.287 -0.343 0.000 0.955 754 K CB 1.001 33.233 32.500 -0.447 0.000 0.975 754 K HN 0.047 nan 8.250 nan 0.000 0.471 755 R N 1.665 121.827 120.500 -0.563 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 1.349 31.596 30.300 -0.088 0.000 1.233 755 R HN 0.598 nan 8.270 nan 0.000 0.455 756 W N 3.038 124.444 121.300 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 -0.554 56.851 57.345 0.101 0.000 1.233 756 W CB 2.259 31.749 29.460 0.051 0.000 1.412 756 W HN 0.428 nan 8.180 nan 0.000 0.490 757 Q N 2.652 122.586 119.800 0.224 0.000 2.337 757 Q HA 0.481 4.821 4.340 -0.000 0.000 0.270 757 Q C -2.021 173.905 176.000 -0.124 0.000 1.043 757 Q CA -0.504 55.411 55.803 0.187 0.000 0.794 757 Q CB 1.807 30.722 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 0.034 0.000 1.124 758 F CA -0.813 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 3.479 122.277 118.700 0.164 0.000 2.497 759 N HA 0.076 4.816 4.740 -0.000 0.000 0.268 759 N C 0.886 176.396 175.510 0.001 0.000 1.171 759 N CA 0.050 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 1.364 121.786 120.500 -0.130 0.000 2.236 760 R HA -0.030 4.310 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 0.965 56.930 56.100 -0.225 0.000 1.001 760 R CB 0.242 30.292 30.300 -0.416 0.000 0.896 760 R HN 0.698 nan 8.270 nan 0.000 0.464 761 Q N -0.480 119.279 119.800 -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 1.211 56.986 55.803 -0.048 0.000 0.911 761 Q CB 0.242 28.967 28.738 -0.022 0.000 1.040 761 Q HN 0.223 nan 8.270 nan 0.000 0.521 762 S N 0.297 116.006 115.700 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 -0.142 0.000 1.029 762 S CA 0.792 59.030 58.200 0.064 0.000 0.946 762 S CB -0.078 63.284 63.200 0.270 0.000 0.797 762 S HN 0.585 nan 8.310 nan 0.000 0.504 763 G N 0.432 109.164 108.800 -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 -1.361 118.774 119.950 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 -1.469 56.690 58.000 0.265 0.000 0.964 764 F CB 1.383 40.484 39.000 0.168 0.000 1.258 764 F HN 0.011 nan 8.300 nan 0.000 0.484 765 L N 1.552 122.903 121.223 0.212 0.000 2.456 765 L HA 0.211 4.551 4.340 -0.000 0.000 0.277 765 L C 0.558 177.346 176.870 -0.136 0.000 1.124 765 L CA 0.785 55.364 54.840 -0.434 0.000 0.880 765 L CB 0.250 42.068 42.059 -0.402 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 0.342 174.848 174.600 -0.156 0.000 1.035 766 S CA 0.330 58.489 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 -0.151 119.503 119.800 -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 -0.606 54.932 55.803 -0.441 0.000 0.785 767 Q CB 1.348 29.710 28.738 -0.627 0.000 1.467 767 Q HN 0.262 nan 8.270 nan 0.000 0.401 768 M N 0.326 119.482 119.600 -0.739 0.000 2.465 768 M HA 0.783 5.263 4.480 -0.000 0.000 0.284 768 M C -1.963 173.919 176.300 -0.697 0.000 1.212 768 M CA -0.288 54.659 55.300 -0.588 0.000 0.910 768 M CB 2.000 34.287 32.600 -0.521 0.000 1.725 768 M HN 0.510 nan 8.290 nan 0.000 0.477 769 W N 3.275 124.350 121.300 -0.376 0.000 2.844 769 W HA 0.693 5.353 4.660 -0.000 0.000 0.340 769 W C -1.524 174.788 176.519 -0.345 0.000 1.093 769 W CA -0.897 56.278 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 2.138 122.715 120.570 0.011 0.000 2.418 770 I HA 0.452 4.622 4.170 -0.000 0.000 0.287 770 I C 0.829 176.945 176.117 -0.002 0.000 1.008 770 I CA 0.250 61.507 61.300 -0.071 0.000 1.104 770 I CB 1.271 39.201 38.000 -0.116 0.000 1.264 770 I HN 0.722 nan 8.210 nan 0.000 0.438 771 G N 5.594 114.381 108.800 -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 0.322 175.244 174.900 0.036 0.000 1.203 771 G CA 0.519 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 0.745 121.179 120.400 0.058 0.000 2.402 772 D HA 0.231 4.871 4.640 -0.000 0.000 0.216 772 D C 0.584 177.024 176.300 0.233 0.000 1.128 772 D CA 0.132 54.200 54.000 0.114 0.000 0.833 772 D CB 0.376 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 0.996 121.503 120.400 0.178 0.000 2.234 773 K HA 0.295 4.615 4.320 -0.000 0.000 0.277 773 K C -0.068 176.505 176.600 -0.045 0.000 1.038 773 K CA -0.504 55.827 56.287 0.073 0.000 0.888 773 K CB 1.848 34.348 32.500 -0.001 0.000 1.091 773 K HN -0.155 nan 8.250 nan 0.000 0.467 774 K N 1.811 122.089 120.400 -0.203 0.000 2.258 774 K HA 0.048 4.368 4.320 -0.000 0.000 0.264 774 K C 0.759 177.150 176.600 -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 0.983 120.551 119.800 -0.387 0.000 2.316 775 Q HA 0.214 4.554 4.340 -0.000 0.000 0.235 775 Q C -0.136 175.780 176.000 -0.140 0.000 0.863 775 Q CA 0.415 56.113 55.803 -0.174 0.000 0.939 775 Q CB 0.590 29.280 28.738 -0.080 0.000 1.108 775 Q HN 0.465 nan 8.270 nan 0.000 0.522 776 L N 0.751 121.840 121.223 -0.225 0.000 2.362 776 L HA 0.426 4.766 4.340 -0.000 0.000 0.271 776 L C 0.840 177.585 176.870 -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 -0.541 120.550 121.223 -0.220 0.000 2.477 777 L HA 0.275 4.615 4.340 -0.000 0.000 0.220 777 L C 0.429 177.186 176.870 -0.188 0.000 1.106 777 L CA 0.562 55.277 54.840 -0.208 0.000 0.851 777 L CB 0.051 41.973 42.059 -0.229 0.000 0.994 777 L HN 0.577 nan 8.230 nan 0.000 0.462 778 T N 0.601 115.030 114.554 -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 0.228 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 -0.733 62.348 63.100 -0.031 0.000 0.784 779 P CB 0.445 32.153 31.700 0.013 0.000 0.923 780 L N 3.924 125.159 121.223 0.020 0.000 2.361 780 L HA 0.292 4.632 4.340 -0.000 0.000 0.278 780 L C 0.577 177.390 176.870 -0.096 0.000 1.113 780 L CA 0.585 55.458 54.840 0.055 0.000 0.849 780 L CB -0.540 41.662 42.059 0.238 0.000 1.155 780 L HN 0.466 nan 8.230 nan 0.000 0.452 781 R N 2.097 122.485 120.500 -0.187 0.000 2.734 781 R HA 0.487 4.827 4.340 -0.000 0.000 0.271 781 R C -1.216 174.963 176.300 -0.203 0.000 1.021 781 R CA -0.969 54.902 56.100 -0.381 0.000 0.893 781 R CB 0.409 30.131 30.300 -0.964 0.000 1.244 781 R HN 0.436 nan 8.270 nan 0.000 0.464 782 D N 0.987 121.311 120.400 -0.126 0.000 2.423 782 D HA 0.094 4.734 4.640 -0.000 0.000 0.238 782 D C -0.443 175.494 176.300 -0.604 0.000 1.142 782 D CA 0.455 54.241 54.000 -0.357 0.000 0.884 782 D CB 0.636 41.190 40.800 -0.411 0.000 1.199 782 D HN 0.353 nan 8.370 nan 0.000 0.438 783 Q N 1.136 120.358 119.800 -0.963 0.000 2.271 783 Q HA 0.320 4.660 4.340 -0.000 0.000 0.268 783 Q C -1.223 174.048 176.000 -1.214 0.000 1.021 783 Q CA -0.580 54.706 55.803 -0.861 0.000 0.802 783 Q CB 0.793 29.252 28.738 -0.465 0.000 1.282 783 Q HN 0.547 nan 8.270 nan 0.000 0.431 784 F N 0.737 120.345 119.950 -0.570 0.000 2.706 784 F HA 0.198 4.725 4.527 -0.000 0.000 0.313 784 F C 0.775 176.191 175.800 -0.641 0.000 1.096 784 F CA -0.124 57.447 58.000 -0.715 0.000 1.219 784 F CB 1.424 39.757 39.000 -1.111 0.000 1.051 784 F HN 0.452 nan 8.300 nan 0.000 0.568 785 T N -0.981 113.315 114.554 -0.431 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 -0.412 119.902 120.500 -0.310 0.000 2.774 786 R HA 0.751 5.091 4.340 -0.000 0.000 0.272 786 R C -1.092 175.273 176.300 0.109 0.000 1.000 786 R CA -1.176 54.870 56.100 -0.089 0.000 0.906 786 R CB 1.502 31.755 30.300 -0.078 0.000 1.227 786 R HN 0.846 nan 8.270 nan 0.000 0.468 787 A N 3.253 126.119 122.820 0.077 0.000 2.444 787 A HA 0.329 4.649 4.320 -0.000 0.000 0.287 787 A C -2.060 175.599 177.584 0.125 0.000 1.195 787 A CA -1.458 50.626 52.037 0.079 0.000 0.858 787 A CB -0.456 18.544 19.000 0.000 0.000 1.117 787 A HN 0.518 nan 8.150 nan 0.000 0.521 788 P HA 0.017 nan 4.420 nan 0.000 0.263 788 P C -0.275 177.143 177.300 0.198 0.000 1.168 788 P CA 0.585 63.845 63.100 0.267 0.000 0.759 788 P CB 0.295 32.173 31.700 0.297 0.000 0.782 789 L N 2.394 123.705 121.223 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 -0.623 54.243 54.840 0.044 0.000 0.801 789 L CB 0.251 42.271 42.059 -0.066 0.000 1.191 789 L HN 0.311 nan 8.230 nan 0.000 0.459 790 D N 0.582 120.954 120.400 -0.046 0.000 2.116 790 D HA -0.183 4.457 4.640 -0.000 0.000 0.193 790 D C 1.587 177.870 176.300 -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 1.185 119.868 118.700 -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 0.869 53.919 53.050 0.001 0.000 0.857 791 N CB -0.329 38.136 38.487 -0.035 0.000 0.997 791 N HN 0.285 nan 8.380 nan 0.000 0.426 792 D N 0.307 120.753 120.400 0.077 0.000 2.224 792 D HA 0.007 4.647 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 0.379 54.464 54.000 0.141 0.000 0.852 792 D CB 0.023 40.980 40.800 0.262 0.000 0.947 792 D HN 0.333 nan 8.370 nan 0.000 0.494 793 I N 0.474 121.093 120.570 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 0.453 61.783 61.300 0.050 0.000 1.425 793 I CB -0.278 37.732 38.000 0.017 0.000 1.094 793 I HN -0.018 nan 8.210 nan 0.000 0.425 794 G N 2.829 111.651 108.800 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 -0.146 174.790 174.900 0.059 0.000 0.852 794 G CA 0.579 45.718 45.100 0.064 0.000 1.281 794 G HN 0.442 nan 8.290 nan 0.000 0.378 795 V N -1.046 118.899 119.914 0.053 0.000 2.841 795 V HA 0.903 5.023 4.120 -0.000 0.000 0.310 795 V C 0.629 176.613 176.094 -0.182 0.000 1.090 795 V CA 0.193 62.463 62.300 -0.051 0.000 0.930 795 V CB 1.742 33.507 31.823 -0.096 0.000 1.014 795 V HN 1.097 nan 8.190 nan 0.000 0.425 796 S N 1.366 116.776 115.700 -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 -1.152 0.000 1.031 796 S CA -0.116 57.302 58.200 -1.304 0.000 0.911 796 S CB -0.079 62.254 63.200 -1.445 0.000 0.812 796 S HN 0.858 nan 8.310 nan 0.000 0.497 797 E N 0.785 120.612 120.200 -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 -0.438 0.000 0.769 797 E CB 1.860 31.331 29.700 -0.381 0.000 1.185 797 E HN 0.221 nan 8.360 nan 0.000 0.415 798 A N 2.821 125.516 122.820 -0.208 0.000 1.971 798 A HA -0.267 4.053 4.320 -0.000 0.000 0.222 798 A C 2.003 179.530 177.584 -0.096 0.000 1.182 798 A CA 2.614 54.583 52.037 -0.114 0.000 0.649 798 A CB -0.801 18.161 19.000 -0.063 0.000 0.818 798 A HN 0.653 nan 8.150 nan 0.000 0.458 799 T N -0.165 114.318 114.554 -0.118 0.000 2.708 799 T HA -0.067 4.283 4.350 -0.000 0.000 0.266 799 T C 0.961 175.603 174.700 -0.097 0.000 1.037 799 T CA 1.271 63.312 62.100 -0.100 0.000 1.146 799 T CB -0.192 68.603 68.868 -0.122 0.000 0.865 799 T HN 0.593 nan 8.240 nan 0.000 0.435 800 R N 1.952 122.376 120.500 -0.127 0.000 2.207 800 R HA 0.527 4.867 4.340 -0.000 0.000 0.334 800 R C -0.665 175.574 176.300 -0.102 0.000 1.013 800 R CA -0.600 55.431 56.100 -0.115 0.000 0.858 800 R CB 0.514 30.731 30.300 -0.139 0.000 1.094 800 R HN 0.374 nan 8.270 nan 0.000 0.457 801 I N -1.288 119.237 120.570 -0.075 0.000 2.385 801 I HA 0.349 4.519 4.170 -0.000 0.000 0.294 801 I C -0.480 175.599 176.117 -0.063 0.000 0.988 801 I CA -0.457 60.806 61.300 -0.062 0.000 1.265 801 I CB 1.466 39.439 38.000 -0.044 0.000 1.388 801 I HN 0.326 nan 8.210 nan 0.000 0.480 802 D N 7.683 128.044 120.400 -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 1.713 42.468 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 0.569 177.769 177.300 -0.166 0.000 1.144 803 P CA 0.733 63.769 63.100 -0.107 0.000 0.783 803 P CB 0.410 32.056 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 0.088 52.965 53.050 -0.288 0.000 0.872 804 N CB -0.056 38.283 38.487 -0.246 0.000 0.970 804 N HN 0.098 nan 8.380 nan 0.000 0.467 805 A N 0.073 122.724 122.820 -0.281 0.000 2.498 805 A HA 0.029 4.349 4.320 -0.000 0.000 0.239 805 A C 0.832 178.169 177.584 -0.413 0.000 1.068 805 A CA -0.328 51.543 52.037 -0.276 0.000 0.766 805 A CB 0.027 18.952 19.000 -0.125 0.000 1.003 805 A HN 0.329 nan 8.150 nan 0.000 0.497 806 W N 1.772 122.790 121.300 -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 1.928 58.690 57.345 -0.972 0.000 1.264 806 W CB -0.460 28.298 29.460 -1.171 0.000 1.154 806 W HN 0.551 nan 8.180 nan 0.000 0.483 807 V N 0.625 120.424 119.914 -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 2.209 64.622 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 0.073 nan 8.190 nan 0.000 0.450 808 E N 0.186 120.368 120.200 -0.030 0.000 2.058 808 E HA -0.188 4.162 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 1.439 57.816 56.400 -0.037 0.000 0.801 808 E CB -0.369 29.273 29.700 -0.096 0.000 0.746 808 E HN 0.628 nan 8.360 nan 0.000 0.450 809 R N -0.445 119.938 120.500 -0.195 0.000 2.075 809 R HA -0.125 4.215 4.340 -0.000 0.000 0.232 809 R C 2.315 178.560 176.300 -0.091 0.000 1.126 809 R CA 1.115 57.084 56.100 -0.217 0.000 0.963 809 R CB -0.435 29.611 30.300 -0.422 0.000 0.858 809 R HN 0.274 nan 8.270 nan 0.000 0.435 810 W N 1.983 123.240 121.300 -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 0.386 57.594 57.345 -0.229 0.000 1.274 810 W CB -0.576 28.868 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 0.383 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 -0.651 31.981 32.500 0.220 0.000 0.716 811 K HN -0.025 nan 8.250 nan 0.000 0.439 812 A N 1.199 124.069 122.820 0.082 0.000 2.024 812 A HA -0.140 4.180 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 1.931 53.993 52.037 0.043 0.000 0.643 812 A CB -0.493 18.514 19.000 0.010 0.000 0.806 812 A HN 0.392 nan 8.150 nan 0.000 0.451 813 A N -2.128 120.685 122.820 -0.011 0.000 2.123 813 A HA 0.396 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 1.305 53.335 52.037 -0.011 0.000 0.728 813 A CB -0.717 18.259 19.000 -0.039 0.000 0.814 813 A HN 1.889 nan 8.150 nan 0.000 0.464 814 G N -1.819 106.859 108.800 -0.204 0.000 2.141 814 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.231 814 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.231 814 G C 0.611 175.479 174.900 -0.053 0.000 0.984 814 G CA 0.612 45.386 45.100 -0.543 0.000 0.660 814 G HN 0.705 nan 8.290 nan 0.000 0.525 815 H N -1.303 117.720 119.070 -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 1.650 57.654 56.048 -0.074 0.000 1.315 815 H CB 0.091 29.733 29.762 -0.200 0.000 1.380 815 H HN 0.615 nan 8.280 nan 0.000 0.513 816 Y N 0.737 121.155 120.300 0.196 0.000 2.509 816 Y HA -0.103 4.447 4.550 -0.000 0.000 0.293 816 Y C 1.799 177.779 175.900 0.133 0.000 1.133 816 Y CA 0.668 58.848 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 -0.291 175.888 176.000 0.298 0.000 0.853 817 Q CA -0.378 55.580 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 0.126 nan 8.270 nan 0.000 0.445 818 A N 1.154 124.160 122.820 0.309 0.000 2.351 818 A HA 0.376 4.696 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 52.049 52.037 0.383 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 -0.231 56.277 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 2.340 125.006 122.820 -0.256 0.000 2.371 820 A HA 0.604 4.924 4.320 -0.000 0.000 0.257 820 A C -0.255 177.154 177.584 -0.291 0.000 1.089 820 A CA -0.120 51.462 52.037 -0.757 0.000 0.794 820 A CB 0.572 19.064 19.000 -0.847 0.000 1.029 820 A HN 0.561 nan 8.150 nan 0.000 0.488 821 A N 1.883 124.534 122.820 -0.280 0.000 2.375 821 A HA 0.559 4.879 4.320 -0.000 0.000 0.295 821 A C -0.788 176.708 177.584 -0.146 0.000 1.066 821 A CA -0.551 51.410 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 1.171 nan 8.150 nan 0.000 0.435 822 L N 3.374 124.493 121.223 -0.174 0.000 2.418 822 L HA 0.285 4.625 4.340 -0.000 0.000 0.274 822 L C 0.567 177.301 176.870 -0.227 0.000 1.135 822 L CA 0.028 54.659 54.840 -0.348 0.000 0.870 822 L CB 0.093 41.962 42.059 -0.317 0.000 1.154 822 L HN 0.804 nan 8.230 nan 0.000 0.462 823 L N 3.653 124.733 121.223 -0.237 0.000 2.357 823 L HA 0.226 4.566 4.340 -0.000 0.000 0.211 823 L C 0.472 177.274 176.870 -0.112 0.000 1.075 823 L CA 0.184 54.953 54.840 -0.120 0.000 0.830 823 L CB 0.085 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 0.296 4.636 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 2.284 30.992 28.738 -0.049 0.000 1.516 824 Q HN 0.016 nan 8.270 nan 0.000 0.395 825 C N 2.764 122.040 119.300 -0.041 0.000 2.705 825 C HA 0.893 5.353 4.460 -0.000 0.000 0.369 825 C C -1.099 173.956 174.990 0.107 0.000 1.069 825 C CA 0.758 59.790 59.018 0.023 0.000 1.260 825 C CB 0.846 28.596 27.740 0.017 0.000 1.764 825 C HN 0.906 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 62.023 62.100 -0.026 0.000 1.007 826 T CB 1.805 70.651 68.868 -0.037 0.000 1.186 826 T HN 1.987 nan 8.240 nan 0.000 0.499 827 A N 1.659 124.204 122.820 -0.458 0.000 2.401 827 A HA 0.841 5.161 4.320 -0.000 0.000 0.310 827 A C -1.236 176.127 177.584 -0.369 0.000 1.075 827 A CA -0.645 51.013 52.037 -0.633 0.000 0.746 827 A CB 1.450 19.653 19.000 -1.327 0.000 1.277 827 A HN 0.894 nan 8.150 nan 0.000 0.425 828 D N 0.290 120.519 120.400 -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 2.437 43.165 40.800 -0.121 0.000 1.587 828 D HN 0.448 nan 8.370 nan 0.000 0.463 829 T N 1.512 116.007 114.554 -0.098 0.000 2.758 829 T HA 0.513 4.863 4.350 -0.000 0.000 0.285 829 T C 0.121 174.791 174.700 -0.049 0.000 0.981 829 T CA -0.584 61.475 62.100 -0.069 0.000 0.965 829 T CB 1.093 69.935 68.868 -0.043 0.000 0.927 829 T HN 0.057 nan 8.240 nan 0.000 0.448 830 L N 1.673 122.868 121.223 -0.047 0.000 2.376 830 L HA 0.680 5.020 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 -0.502 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 0.947 178.524 177.584 -0.012 0.000 1.175 831 A CA 2.036 54.066 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 -2.475 117.914 120.400 -0.017 0.000 2.500 832 D HA 0.564 5.204 4.640 -0.000 0.000 0.217 832 D C 0.235 176.520 176.300 -0.026 0.000 1.159 832 D CA 0.660 54.648 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 -1.749 175.796 177.584 -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 0.309 120.165 119.914 -0.097 0.000 2.547 834 V HA 0.690 4.810 4.120 -0.000 0.000 0.299 834 V C -0.874 175.135 176.094 -0.142 0.000 1.040 834 V CA -0.476 61.748 62.300 -0.127 0.000 0.913 834 V CB 1.358 33.091 31.823 -0.150 0.000 0.992 834 V HN 0.825 nan 8.190 nan 0.000 0.449 835 L N 5.777 126.906 121.223 -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 -0.068 54.688 54.840 -0.139 0.000 0.828 835 L CB 1.414 43.416 42.059 -0.096 0.000 1.249 835 L HN 0.405 nan 8.230 nan 0.000 0.409 836 I N 3.686 124.148 120.570 -0.179 0.000 2.441 836 I HA 0.531 4.701 4.170 -0.000 0.000 0.295 836 I C -0.045 176.061 176.117 -0.019 0.000 0.994 836 I CA -0.380 60.775 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 4.520 119.050 114.554 -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 -0.533 61.593 62.100 0.042 0.000 0.975 837 T CB 1.757 70.624 68.868 -0.002 0.000 0.981 837 T HN 0.806 nan 8.240 nan 0.000 0.439 838 T N -0.220 114.417 114.554 0.139 0.000 2.901 838 T HA 0.911 5.261 4.350 -0.000 0.000 0.293 838 T C -1.136 173.631 174.700 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 0.790 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 -1.493 176.029 177.584 -0.105 0.000 1.041 839 A CA -0.790 51.286 52.037 0.066 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 0.258 119.392 119.070 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 56.190 56.048 -0.024 0.000 1.163 840 H CB 2.107 31.729 29.762 -0.233 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 0.468 4.788 4.320 -0.000 0.000 0.311 841 A C -1.413 176.240 177.584 0.115 0.000 1.068 841 A CA -0.722 51.437 52.037 0.203 0.000 0.744 841 A CB 1.209 20.280 19.000 0.119 0.000 1.239 841 A HN 0.582 nan 8.150 nan 0.000 0.435 842 W N 2.221 123.612 121.300 0.151 0.000 2.429 842 W HA 0.420 5.080 4.660 -0.000 0.000 0.314 842 W C -0.315 176.190 176.519 -0.023 0.000 1.062 842 W CA -0.298 57.117 57.345 0.117 0.000 1.211 842 W CB 1.695 31.267 29.460 0.187 0.000 1.305 842 W HN 0.773 nan 8.180 nan 0.000 0.476 843 Q N 1.856 121.784 119.800 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 -0.971 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 0.798 119.892 119.070 0.039 0.000 3.240 844 H HA 0.051 4.607 4.556 -0.000 0.000 0.329 844 H C -0.968 174.385 175.328 0.042 0.000 1.024 844 H CA 0.029 56.111 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 0.865 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 1.138 56.796 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 -0.190 108.587 108.800 -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 0.068 174.977 174.900 0.014 0.000 0.980 846 G CA 0.675 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 -0.132 176.480 176.600 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 33.388 32.500 0.044 0.000 1.073 847 K HN 0.011 nan 8.250 nan 0.000 0.454 848 T N 5.733 120.289 114.554 0.002 0.000 2.728 848 T HA 0.231 4.581 4.350 -0.000 0.000 0.296 848 T C 1.094 175.728 174.700 -0.110 0.000 0.940 848 T CA -0.565 61.528 62.100 -0.012 0.000 1.013 848 T CB 0.538 69.421 68.868 0.026 0.000 0.912 848 T HN 0.529 nan 8.240 nan 0.000 0.484 849 L N 1.994 123.034 121.223 -0.304 0.000 2.168 849 L HA 0.354 4.694 4.340 -0.000 0.000 0.203 849 L C -0.071 176.310 176.870 -0.815 0.000 1.078 849 L CA 0.861 55.249 54.840 -0.752 0.000 0.780 849 L CB -0.036 41.104 42.059 -1.531 0.000 0.939 849 L HN 0.527 nan 8.230 nan 0.000 0.451 850 F N -1.082 118.818 119.950 -0.082 0.000 2.626 850 F HA 0.593 5.120 4.527 -0.000 0.000 0.311 850 F C -0.518 175.377 175.800 0.159 0.000 1.088 850 F CA -0.865 57.053 58.000 -0.137 0.000 0.949 850 F CB 1.982 40.566 39.000 -0.694 0.000 1.322 850 F HN -0.326 nan 8.300 nan 0.000 0.461 851 I N 1.421 122.228 120.570 0.394 0.000 2.466 851 I HA 0.405 4.575 4.170 -0.000 0.000 0.289 851 I C -0.888 175.493 176.117 0.440 0.000 1.026 851 I CA -0.574 60.979 61.300 0.421 0.000 1.078 851 I CB 2.229 40.391 38.000 0.271 0.000 1.249 851 I HN 0.569 nan 8.210 nan 0.000 0.429 852 S N 6.712 122.769 115.700 0.594 0.000 2.552 852 S HA 0.605 5.075 4.470 -0.000 0.000 0.314 852 S C -0.770 174.082 174.600 0.421 0.000 1.099 852 S CA -0.671 57.848 58.200 0.532 0.000 1.070 852 S CB 0.792 64.424 63.200 0.719 0.000 0.998 852 S HN 0.583 nan 8.310 nan 0.000 0.474 853 R N 3.432 124.101 120.500 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 -0.777 55.447 56.100 0.206 0.000 0.861 853 R CB 1.931 32.325 30.300 0.157 0.000 1.171 853 R HN 0.550 nan 8.270 nan 0.000 0.445 854 K N 0.670 121.143 120.400 0.122 0.000 2.433 854 K HA 0.558 4.878 4.320 -0.000 0.000 0.252 854 K C -0.729 175.856 176.600 -0.025 0.000 1.015 854 K CA -0.970 55.307 56.287 -0.016 0.000 0.860 854 K CB 2.445 34.889 32.500 -0.095 0.000 1.359 854 K HN 0.624 nan 8.250 nan 0.000 0.452 855 T N -1.416 113.035 114.554 -0.172 0.000 2.952 855 T HA 0.534 4.884 4.350 -0.000 0.000 0.305 855 T C -1.456 173.117 174.700 -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 1.245 121.526 120.300 -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 56.988 58.100 -0.019 0.000 1.100 856 Y CB 2.015 40.480 38.460 0.009 0.000 1.179 856 Y HN 0.808 nan 8.280 nan 0.000 0.454 857 R N 4.905 125.453 120.500 0.079 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 0.836 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 4.588 125.066 120.570 -0.154 0.000 2.362 858 I HA 0.267 4.437 4.170 -0.000 0.000 0.289 858 I C -0.384 175.633 176.117 -0.167 0.000 0.994 858 I CA -0.945 60.203 61.300 -0.254 0.000 1.158 858 I CB 1.613 39.297 38.000 -0.526 0.000 1.315 858 I HN 0.709 nan 8.210 nan 0.000 0.451 859 D N 4.027 124.359 120.400 -0.113 0.000 2.506 859 D HA 0.296 4.936 4.640 -0.000 0.000 0.254 859 D C 1.232 177.513 176.300 -0.032 0.000 1.089 859 D CA -0.692 53.272 54.000 -0.059 0.000 1.050 859 D CB 0.959 41.740 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 1.171 176.076 174.900 0.008 0.000 1.119 860 G CA 1.080 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 -0.862 114.842 115.700 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 -0.007 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 0.855 109.707 108.800 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 -0.356 174.646 174.900 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 0.019 0.000 0.974 863 Q CA -0.607 55.245 55.803 0.082 0.000 0.876 863 Q CB 1.996 30.783 28.738 0.081 0.000 1.297 863 Q HN 0.391 nan 8.270 nan 0.000 0.446 864 M N 2.017 121.665 119.600 0.081 0.000 2.114 864 M HA 0.566 5.046 4.480 -0.000 0.000 0.332 864 M C -1.514 174.886 176.300 0.167 0.000 1.014 864 M CA -0.513 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 6.974 129.860 122.820 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 1.456 122.049 120.570 0.037 0.000 2.474 866 I HA 0.462 4.632 4.170 -0.000 0.000 0.294 866 I C -0.177 175.835 176.117 -0.174 0.000 1.005 866 I CA -0.382 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 5.033 119.429 114.554 -0.262 0.000 2.841 867 T HA 0.550 4.900 4.350 -0.000 0.000 0.285 867 T C -0.612 173.883 174.700 -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 70.675 68.868 -0.097 0.000 0.962 867 T HN 0.251 nan 8.240 nan 0.000 0.438 868 V N 3.967 123.551 119.914 -0.550 0.000 2.540 868 V HA 0.593 4.713 4.120 -0.000 0.000 0.302 868 V C -0.782 175.142 176.094 -0.283 0.000 1.035 868 V CA -0.913 61.089 62.300 -0.497 0.000 0.873 868 V CB 2.113 33.383 31.823 -0.922 0.000 0.992 868 V HN 0.833 nan 8.190 nan 0.000 0.428 869 D N 3.061 123.464 120.400 0.004 0.000 2.686 869 D HA 0.513 5.153 4.640 -0.000 0.000 0.249 869 D C -1.123 175.306 176.300 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 43.721 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 0.047 176.290 176.094 0.248 0.000 1.045 870 V CA -0.705 61.765 62.300 0.283 0.000 0.905 870 V CB 2.532 34.547 31.823 0.320 0.000 0.997 870 V HN 0.385 nan 8.190 nan 0.000 0.436 871 E N 1.924 122.257 120.200 0.222 0.000 2.187 871 E HA 0.678 5.028 4.350 -0.000 0.000 0.268 871 E C -1.592 175.133 176.600 0.209 0.000 0.896 871 E CA -0.489 56.023 56.400 0.185 0.000 0.766 871 E CB 2.386 32.180 29.700 0.157 0.000 1.142 871 E HN 0.471 nan 8.360 nan 0.000 0.408 872 V N 2.286 122.323 119.914 0.204 0.000 2.487 872 V HA 0.454 4.574 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 -1.010 61.435 62.300 0.241 0.000 0.860 872 V CB 1.602 33.590 31.823 0.274 0.000 0.991 872 V HN 0.845 nan 8.190 nan 0.000 0.427 873 A N 3.222 126.111 122.820 0.114 0.000 2.548 873 A HA 0.294 4.614 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 0.639 52.726 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 1.624 117.392 115.700 0.114 0.000 2.400 874 S HA -0.189 4.281 4.470 -0.000 0.000 0.232 874 S C 0.985 175.671 174.600 0.143 0.000 1.025 874 S CA 1.597 59.878 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 0.278 120.739 120.400 0.101 0.000 2.325 875 D HA 0.152 4.792 4.640 -0.000 0.000 0.225 875 D C 0.509 176.859 176.300 0.084 0.000 1.096 875 D CA 0.019 54.066 54.000 0.078 0.000 0.844 875 D CB -0.331 40.498 40.800 0.049 0.000 0.925 875 D HN 0.332 nan 8.370 nan 0.000 0.513 876 T N 0.754 115.387 114.554 0.133 0.000 2.943 876 T HA 0.449 4.799 4.350 -0.000 0.000 0.284 876 T C -2.673 172.160 174.700 0.223 0.000 1.015 876 T CA -2.026 60.180 62.100 0.176 0.000 1.042 876 T CB 1.393 70.380 68.868 0.198 0.000 1.055 876 T HN -0.192 nan 8.240 nan 0.000 0.500 877 P HA 0.192 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 -0.234 62.976 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 2.943 122.357 119.070 0.574 0.000 2.964 878 H HA 0.092 4.648 4.556 -0.000 0.000 0.328 878 H C -1.871 173.804 175.328 0.578 0.000 1.030 878 H CA -1.737 54.598 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 0.387 177.609 177.300 -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 3.088 125.598 122.820 -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 53.151 52.037 -0.592 0.000 0.635 880 A CB -0.559 17.896 19.000 -0.908 0.000 0.810 880 A HN 0.765 nan 8.150 nan 0.000 0.445 881 R N -2.939 117.235 120.500 -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 1.059 121.428 120.570 -0.334 0.000 2.540 882 I HA 0.639 4.809 4.170 -0.000 0.000 0.280 882 I C -0.474 175.415 176.117 -0.380 0.000 1.083 882 I CA -0.427 60.684 61.300 -0.316 0.000 1.080 882 I CB 1.790 39.678 38.000 -0.186 0.000 1.205 882 I HN 1.008 nan 8.210 nan 0.000 0.459 883 G N 5.771 114.304 108.800 -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 -0.535 44.355 45.100 -0.351 0.000 0.843 883 G HN 0.295 nan 8.290 nan 0.000 0.486 884 L N 0.549 121.651 121.223 -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 44.632 42.059 -0.053 0.000 1.403 884 L HN 0.868 nan 8.230 nan 0.000 0.419 885 N N 0.099 118.726 118.700 -0.120 0.000 2.823 885 N HA 0.671 5.411 4.740 -0.000 0.000 0.251 885 N C -1.341 174.182 175.510 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 0.579 5.039 4.460 -0.000 0.000 0.342 886 C C -1.381 173.535 174.990 -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 0.883 nan 8.230 nan 0.000 0.469 887 Q N 1.308 120.819 119.800 -0.482 0.000 2.347 887 Q HA 0.684 5.024 4.340 -0.000 0.000 0.262 887 Q C -1.046 174.676 176.000 -0.464 0.000 0.980 887 Q CA -0.443 54.804 55.803 -0.927 0.000 0.867 887 Q CB 0.902 28.712 28.738 -1.545 0.000 1.242 887 Q HN 0.747 nan 8.270 nan 0.000 0.453 888 L N 2.614 123.644 121.223 -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 -0.341 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 0.808 nan 8.230 nan 0.000 0.447 889 A N 2.121 124.874 122.820 -0.111 0.000 1.930 889 A HA -0.140 4.180 4.320 -0.000 0.000 0.217 889 A C 1.164 178.712 177.584 -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 -0.527 119.268 119.800 -0.008 0.000 2.368 890 Q HA 0.464 4.804 4.340 -0.000 0.000 0.237 890 Q C -1.141 174.877 176.000 0.030 0.000 0.987 890 Q CA 0.096 55.897 55.803 -0.004 0.000 0.896 890 Q CB 0.967 29.713 28.738 0.013 0.000 1.241 890 Q HN 0.151 nan 8.270 nan 0.000 0.485 891 V N 2.316 122.214 119.914 -0.027 0.000 2.612 891 V HA 0.790 4.910 4.120 -0.000 0.000 0.301 891 V C -0.832 175.211 176.094 -0.084 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 51.589 52.037 -0.185 0.000 0.828 892 A CB 1.641 20.327 19.000 -0.524 0.000 1.369 892 A HN 0.735 nan 8.150 nan 0.000 0.446 893 E N -0.236 119.987 120.200 0.038 0.000 2.060 893 E HA 0.071 4.421 4.350 -0.000 0.000 0.189 893 E C 0.615 177.300 176.600 0.142 0.000 0.974 893 E CA 0.990 57.440 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 -0.534 120.058 120.500 0.154 0.000 2.856 894 R HA 0.610 4.950 4.340 -0.000 0.000 0.258 894 R C -1.042 175.446 176.300 0.312 0.000 1.066 894 R CA -0.901 55.318 56.100 0.198 0.000 1.045 894 R CB 2.070 32.455 30.300 0.142 0.000 1.178 894 R HN -0.142 nan 8.270 nan 0.000 0.499 895 V N 1.442 121.546 119.914 0.317 0.000 2.623 895 V HA 0.325 4.445 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 -0.967 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 3.964 122.921 118.700 0.428 0.000 2.295 896 N HA 0.571 5.311 4.740 -0.000 0.000 0.293 896 N C -1.455 174.333 175.510 0.463 0.000 1.040 896 N CA -0.396 52.879 53.050 0.374 0.000 0.840 896 N CB 3.026 41.623 38.487 0.182 0.000 1.468 896 N HN 0.832 nan 8.380 nan 0.000 0.478 897 W N 3.007 124.369 121.300 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 56.327 57.345 0.079 0.000 1.180 897 W CB 0.725 30.266 29.460 0.134 0.000 1.445 897 W HN 0.247 nan 8.180 nan 0.000 0.573 898 L N 3.767 125.015 121.223 0.042 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 0.771 42.740 42.059 -0.149 0.000 1.224 898 L HN 1.025 nan 8.230 nan 0.000 0.429 899 G N 3.662 112.356 108.800 -0.176 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 -1.632 173.431 174.900 0.273 0.000 1.221 899 G CA -0.995 44.219 45.100 0.189 0.000 0.912 899 G HN 0.375 nan 8.290 nan 0.000 0.483 900 L N 1.264 122.720 121.223 0.389 0.000 2.331 900 L HA 0.624 4.964 4.340 -0.000 0.000 0.278 900 L C 0.964 177.888 176.870 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 3.154 111.729 108.800 -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 -2.768 171.275 174.900 -1.427 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 0.402 177.485 177.300 -0.361 0.000 1.233 902 P CA 0.310 62.790 63.100 -1.034 0.000 0.827 902 P CB 0.783 32.044 31.700 -0.731 0.000 1.154 903 Q N 0.622 120.222 119.800 -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 0.695 29.342 28.738 -0.151 0.000 1.204 903 Q HN 0.108 nan 8.270 nan 0.000 0.524 904 E N 1.321 121.415 120.200 -0.178 0.000 2.608 904 E HA -0.128 4.222 4.350 -0.000 0.000 0.259 904 E C -1.179 175.339 176.600 -0.135 0.000 0.951 904 E CA 0.294 56.583 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 2.805 121.346 118.700 -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 -1.610 174.220 175.900 -0.116 0.000 1.038 906 Y CA -2.076 55.923 58.100 -0.168 0.000 1.100 906 Y CB 1.723 40.079 38.460 -0.174 0.000 1.281 906 Y HN 0.434 nan 8.280 nan 0.000 0.488 907 P HA -0.188 nan 4.420 nan 0.000 0.216 907 P C 0.414 177.664 177.300 -0.083 0.000 1.154 907 P CA 2.153 65.296 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 -2.148 118.018 120.400 -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 53.550 54.000 -0.724 0.000 0.833 908 D CB -0.228 39.774 40.800 -1.331 0.000 0.946 908 D HN 0.128 nan 8.370 nan 0.000 0.505 909 R N 1.009 121.474 120.500 -0.059 0.000 2.837 909 R HA 0.208 4.548 4.340 -0.000 0.000 0.245 909 R C -0.807 175.527 176.300 0.056 0.000 1.712 909 R CA -0.209 55.909 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 -1.055 120.210 121.223 0.070 0.000 3.635 910 L HA 0.303 4.643 4.340 -0.000 0.000 0.338 910 L C 1.176 178.106 176.870 0.101 0.000 1.275 910 L CA 0.060 54.938 54.840 0.063 0.000 1.092 910 L CB 0.184 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 -2.576 112.066 114.554 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 1.276 63.490 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 1.658 179.337 177.584 0.160 0.000 1.152 912 A CA 0.496 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 3.074 122.864 120.400 -1.016 0.000 3.145 916 D HA 0.310 4.950 4.640 -0.000 0.000 0.345 916 D C -1.540 173.835 176.300 -1.543 0.000 1.391 916 D CA -0.753 52.465 54.000 -1.302 0.000 0.930 916 D CB 2.275 42.256 40.800 -1.364 0.000 1.451 916 D HN 0.622 nan 8.370 nan 0.000 0.555 917 R N 0.564 120.199 120.500 -1.441 0.000 2.255 917 R HA 0.466 4.806 4.340 -0.000 0.000 0.326 917 R C -1.372 174.097 176.300 -1.385 0.000 0.986 917 R CA -0.432 54.975 56.100 -1.155 0.000 0.847 917 R CB 0.575 30.478 30.300 -0.661 0.000 1.111 917 R HN 0.233 nan 8.270 nan 0.000 0.452 918 W N 2.622 123.359 121.300 -0.939 0.000 2.689 918 W HA 0.425 5.085 4.660 -0.000 0.000 0.340 918 W C -0.515 175.618 176.519 -0.642 0.000 1.060 918 W CA -0.665 56.086 57.345 -0.990 0.000 1.218 918 W CB 1.545 29.928 29.460 -1.794 0.000 1.410 918 W HN 0.313 nan 8.180 nan 0.000 0.528 919 D N 2.611 122.960 120.400 -0.086 0.000 2.736 919 D HA 0.522 5.161 4.640 -0.000 0.000 0.243 919 D C -1.286 175.110 176.300 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 2.530 123.916 121.223 0.272 0.000 2.397 920 L HA 0.570 4.910 4.340 -0.000 0.000 0.251 920 L C -2.521 174.472 176.870 0.206 0.000 1.064 920 L CA -2.175 52.802 54.840 0.227 0.000 0.859 920 L CB 2.682 44.907 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 -0.477 62.704 63.100 0.135 0.000 0.800 921 P CB 1.207 32.966 31.700 0.098 0.000 0.961 922 L N 3.682 124.994 121.223 0.148 0.000 2.064 922 L HA -0.310 4.030 4.340 -0.000 0.000 0.216 922 L C 2.224 179.152 176.870 0.098 0.000 1.077 922 L CA 2.825 57.741 54.840 0.126 0.000 0.766 922 L CB -1.517 40.630 42.059 0.146 0.000 0.890 922 L HN 0.456 nan 8.230 nan 0.000 0.435 923 S N -1.525 114.234 115.700 0.097 0.000 2.374 923 S HA -0.224 4.246 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 1.347 59.613 58.200 0.110 0.000 1.024 923 S CB -0.926 62.328 63.200 0.090 0.000 0.861 923 S HN 0.542 nan 8.310 nan 0.000 0.456 924 D N 1.264 121.720 120.400 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 0.633 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 -0.377 119.257 119.600 0.055 0.000 2.568 925 M HA 0.064 4.544 4.480 -0.000 0.000 0.226 925 M C -0.113 176.217 176.300 0.049 0.000 1.148 925 M CA 0.029 55.323 55.300 -0.010 0.000 1.007 925 M CB -0.985 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 -0.442 119.824 120.300 -0.056 0.000 2.425 926 Y HA 0.476 5.026 4.550 -0.000 0.000 0.344 926 Y C -0.855 174.985 175.900 -0.100 0.000 0.969 926 Y CA -0.850 57.223 58.100 -0.044 0.000 1.052 926 Y CB 1.444 39.932 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 -0.842 0.000 2.801 927 T HA 0.273 4.623 4.350 -0.000 0.000 0.306 927 T C -2.651 171.225 174.700 -1.374 0.000 1.020 927 T CA -1.512 59.994 62.100 -0.989 0.000 0.948 927 T CB 0.986 69.367 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 -0.382 62.298 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 2.278 178.218 175.900 0.066 0.000 1.217 929 Y CA -0.401 57.683 58.100 -0.027 0.000 1.506 929 Y CB 0.458 38.857 38.460 -0.101 0.000 1.268 929 Y HN -0.113 nan 8.280 nan 0.000 0.561 930 V N 4.043 124.163 119.914 0.344 0.000 2.278 930 V HA -0.330 3.790 4.120 -0.000 0.000 0.251 930 V C 0.630 176.888 176.094 0.274 0.000 1.062 930 V CA 1.608 64.092 62.300 0.306 0.000 1.038 930 V CB -0.534 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 3.482 123.484 119.950 0.087 0.000 2.391 931 F HA 0.496 5.023 4.527 -0.000 0.000 0.359 931 F C -2.324 173.493 175.800 0.029 0.000 1.122 931 F CA -3.149 54.855 58.000 0.007 0.000 1.120 931 F CB 0.941 39.850 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 -1.225 175.854 177.300 -0.368 0.000 1.238 932 P CA -0.192 62.715 63.100 -0.321 0.000 0.794 932 P CB 1.695 33.227 31.700 -0.281 0.000 0.955 933 S N -0.235 115.414 115.700 -0.085 0.000 2.683 933 S HA 0.378 4.848 4.470 -0.000 0.000 0.269 933 S C -0.838 173.778 174.600 0.028 0.000 1.165 933 S CA -0.913 57.276 58.200 -0.018 0.000 0.840 933 S CB 0.226 63.457 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 -0.085 176.573 176.600 0.096 0.000 0.952 934 E CA 1.094 57.532 56.400 0.064 0.000 0.947 934 E CB -0.494 29.261 29.700 0.092 0.000 0.912 934 E HN 0.788 nan 8.360 nan 0.000 0.489 935 N N 1.588 120.377 118.700 0.148 0.000 3.106 935 N HA 0.523 5.263 4.740 -0.000 0.000 0.253 935 N C 0.385 175.960 175.510 0.108 0.000 1.506 935 N CA -0.660 52.519 53.050 0.215 0.000 0.876 935 N CB 0.591 39.206 38.487 0.213 0.000 1.452 935 N HN 0.647 nan 8.380 nan 0.000 0.542 936 G N -1.366 107.457 108.800 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 -0.108 174.558 174.900 -0.389 0.000 0.975 936 G CA 0.559 45.569 45.100 -0.150 0.000 0.644 936 G HN 0.693 nan 8.290 nan 0.000 0.537 937 L N 1.205 122.135 121.223 -0.489 0.000 2.529 937 L HA 0.436 4.776 4.340 -0.000 0.000 0.287 937 L C 0.831 177.137 176.870 -0.940 0.000 1.241 937 L CA 0.526 54.833 54.840 -0.888 0.000 0.857 937 L CB 0.366 41.587 42.059 -1.396 0.000 1.113 937 L HN 0.351 nan 8.230 nan 0.000 0.504 938 R N 3.877 123.732 120.500 -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 0.776 30.538 30.300 -0.897 0.000 1.184 938 R HN 0.569 nan 8.270 nan 0.000 0.445 939 C N -0.227 118.855 119.300 -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 59.118 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 -0.133 174.822 174.900 0.091 0.000 1.020 940 G CA 0.484 45.612 45.100 0.048 0.000 1.026 940 G HN 0.812 nan 8.290 nan 0.000 0.512 941 T N -0.294 114.182 114.554 -0.131 0.000 2.829 941 T HA 0.543 4.893 4.350 -0.000 0.000 0.282 941 T C 1.431 175.807 174.700 -0.539 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 1.159 121.568 120.500 -0.151 0.000 2.279 942 R HA 0.267 4.607 4.340 -0.000 0.000 0.195 942 R C 0.439 176.799 176.300 0.099 0.000 0.905 942 R CA 0.145 56.227 56.100 -0.029 0.000 1.044 942 R CB 0.908 31.312 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 0.280 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 0.183 0.000 1.225 943 E HN -0.103 nan 8.360 nan 0.000 0.417 944 L N 4.066 125.509 121.223 0.366 0.000 2.410 944 L HA 0.608 4.948 4.340 -0.000 0.000 0.270 944 L C -1.924 175.181 176.870 0.391 0.000 0.983 944 L CA -0.414 54.593 54.840 0.279 0.000 0.822 944 L CB 1.876 43.941 42.059 0.011 0.000 1.285 944 L HN 0.433 nan 8.230 nan 0.000 0.409 945 N N 4.262 123.156 118.700 0.324 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 -0.207 53.038 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 1.387 121.857 120.300 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 0.178 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 6.337 115.048 108.800 -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 -0.102 0.000 1.175 947 G CA -0.030 44.962 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 0.457 177.513 177.300 -0.408 0.000 1.191 948 P CA 0.967 63.888 63.100 -0.299 0.000 0.771 948 P CB -0.056 31.389 31.700 -0.424 0.000 0.929 949 H N -0.276 118.746 119.070 -0.080 0.000 2.505 949 H HA 0.528 5.084 4.556 -0.000 0.000 0.351 949 H C 0.313 175.420 175.328 -0.368 0.000 1.151 949 H CA -0.126 55.759 56.048 -0.272 0.000 1.339 949 H CB 0.832 30.245 29.762 -0.580 0.000 1.483 949 H HN -0.067 nan 8.280 nan 0.000 0.558 950 Q N 2.156 121.703 119.800 -0.422 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 -0.248 0.000 0.831 950 Q CB 1.756 30.485 28.738 -0.015 0.000 1.322 950 Q HN 0.625 nan 8.270 nan 0.000 0.419 951 W N 3.668 124.973 121.300 0.009 0.000 2.819 951 W HA 0.621 5.281 4.660 -0.000 0.000 0.337 951 W C -0.560 176.057 176.519 0.164 0.000 1.077 951 W CA -0.800 56.518 57.345 -0.045 0.000 1.226 951 W CB 2.205 31.451 29.460 -0.357 0.000 1.419 951 W HN 0.651 nan 8.180 nan 0.000 0.502 952 R N 0.972 121.731 120.500 0.430 0.000 2.725 952 R HA 0.877 5.217 4.340 -0.000 0.000 0.277 952 R C 0.080 176.665 176.300 0.475 0.000 0.987 952 R CA -0.684 55.683 56.100 0.446 0.000 0.901 952 R CB 2.299 32.771 30.300 0.287 0.000 1.207 952 R HN 0.690 nan 8.270 nan 0.000 0.463 953 G N 0.629 109.744 108.800 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 -1.702 173.380 174.900 0.304 0.000 1.178 953 G CA -0.398 44.964 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 0.335 0.000 2.330 954 D HA 0.586 5.226 4.640 -0.000 0.000 0.249 954 D C -0.892 175.452 176.300 0.074 0.000 1.306 954 D CA -0.263 53.781 54.000 0.075 0.000 0.956 954 D CB 0.679 41.528 40.800 0.082 0.000 1.261 954 D HN 0.439 nan 8.370 nan 0.000 0.544 955 F N 0.017 119.965 119.950 -0.003 0.000 2.950 955 F HA 0.619 5.146 4.527 -0.000 0.000 0.327 955 F C -1.083 174.684 175.800 -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 -0.155 nan 8.300 nan 0.000 0.509 956 Q N 1.351 121.236 119.800 0.142 0.000 2.413 956 Q HA 0.677 5.017 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 -0.004 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 -1.144 118.685 119.950 -0.200 0.000 2.779 957 F HA 0.782 5.308 4.527 -0.000 0.000 0.316 957 F C -1.802 173.789 175.800 -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 1.062 119.633 118.700 -0.216 0.000 2.494 958 N HA 0.723 5.463 4.740 -0.000 0.000 0.270 958 N C -2.164 173.330 175.510 -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 39.228 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 -0.436 174.108 174.600 -0.094 0.000 1.200 960 S CA -0.949 57.225 58.200 -0.044 0.000 0.900 960 S CB 1.601 64.845 63.200 0.074 0.000 1.235 960 S HN 0.635 nan 8.310 nan 0.000 0.512 961 R N 0.032 120.304 120.500 -0.381 0.000 2.466 961 R HA 0.300 4.640 4.340 -0.000 0.000 0.279 961 R C -1.070 174.882 176.300 -0.579 0.000 0.976 961 R CA 0.166 55.969 56.100 -0.495 0.000 1.081 961 R CB -0.625 29.226 30.300 -0.748 0.000 1.215 961 R HN 0.627 nan 8.270 nan 0.000 0.546 962 Y N 0.163 120.465 120.300 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 56.832 58.100 -0.149 0.000 1.067 962 Y CB 1.498 39.814 38.460 -0.241 0.000 1.199 962 Y HN -0.083 nan 8.280 nan 0.000 0.450 963 S N 1.609 117.003 115.700 -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 -0.658 56.901 58.200 -1.069 0.000 1.015 963 S CB 1.145 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 0.573 120.072 119.800 -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 1.641 57.289 55.803 -0.259 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 0.715 120.373 119.800 -0.236 0.000 2.084 965 Q HA -0.207 4.133 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 1.297 57.012 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 0.113 119.822 119.800 -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 1.488 57.219 55.803 -0.121 0.000 0.843 966 Q CB -0.132 28.530 28.738 -0.126 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 1.338 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 -0.464 119.057 119.600 -0.132 0.000 2.296 968 M HA -0.183 4.297 4.480 -0.000 0.000 0.265 968 M C 1.681 177.916 176.300 -0.108 0.000 1.064 968 M CA 1.678 56.912 55.300 -0.110 0.000 1.109 968 M CB 0.092 32.633 32.600 -0.097 0.000 1.396 968 M HN 0.199 nan 8.290 nan 0.000 0.430 969 E N -0.767 119.372 120.200 -0.102 0.000 2.447 969 E HA 0.053 4.403 4.350 -0.000 0.000 0.195 969 E C -0.219 176.339 176.600 -0.070 0.000 1.028 969 E CA 0.154 56.513 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 0.557 115.038 114.554 -0.121 0.000 2.799 970 T HA 0.086 4.436 4.350 -0.000 0.000 0.286 970 T C 1.128 175.725 174.700 -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 70.394 68.868 -0.154 0.000 0.932 970 T HN 0.039 nan 8.240 nan 0.000 0.469 971 S N 1.871 117.554 115.700 -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 0.252 58.481 58.200 0.049 0.000 0.919 971 S CB -0.197 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 0.383 119.441 119.070 -0.019 0.000 2.806 972 H HA 0.512 5.068 4.556 -0.000 0.000 0.367 972 H C 0.939 176.265 175.328 -0.002 0.000 1.136 972 H CA -0.740 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 1.409 122.048 120.500 0.231 0.000 2.117 973 R HA -0.218 4.122 4.340 -0.000 0.000 0.243 973 R C 1.402 177.741 176.300 0.064 0.000 1.143 973 R CA 2.127 58.293 56.100 0.109 0.000 0.968 973 R CB -0.629 29.750 30.300 0.131 0.000 0.863 973 R HN 0.784 nan 8.270 nan 0.000 0.444 974 H N 1.592 120.676 119.070 0.023 0.000 2.489 974 H HA -0.020 4.536 4.556 -0.000 0.000 0.293 974 H C 1.620 176.882 175.328 -0.111 0.000 1.066 974 H CA 1.152 57.166 56.048 -0.057 0.000 1.305 974 H CB -0.281 29.425 29.762 -0.093 0.000 1.386 974 H HN 0.342 nan 8.280 nan 0.000 0.551 975 L N 0.847 121.677 121.223 -0.654 0.000 2.599 975 L HA 0.192 4.532 4.340 -0.000 0.000 0.230 975 L C 0.526 177.305 176.870 -0.152 0.000 1.141 975 L CA -0.077 54.501 54.840 -0.437 0.000 0.877 975 L CB -0.115 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 0.343 121.470 121.223 -0.159 0.000 2.399 976 L HA 0.323 4.663 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 -0.459 54.284 54.840 -0.161 0.000 0.804 976 L CB 0.686 42.457 42.059 -0.481 0.000 1.146 976 L HN 0.124 nan 8.230 nan 0.000 0.451 977 H N 0.588 119.742 119.070 0.141 0.000 2.806 977 H HA 0.640 5.196 4.556 -0.000 0.000 0.367 977 H C -0.848 174.584 175.328 0.173 0.000 1.136 977 H CA -1.227 54.908 56.048 0.145 0.000 1.178 977 H CB 1.301 31.087 29.762 0.039 0.000 1.718 977 H HN 0.714 nan 8.280 nan 0.000 0.540 978 A N 2.838 125.691 122.820 0.055 0.000 2.531 978 A HA 0.095 4.415 4.320 -0.000 0.000 0.236 978 A C 0.369 177.921 177.584 -0.052 0.000 1.062 978 A CA -0.070 51.822 52.037 -0.242 0.000 0.760 978 A CB -0.010 18.858 19.000 -0.220 0.000 0.995 978 A HN 0.814 nan 8.150 nan 0.000 0.501 979 E N 0.501 120.625 120.200 -0.127 0.000 2.292 979 E HA 0.131 4.481 4.350 -0.000 0.000 0.258 979 E C 0.710 177.298 176.600 -0.019 0.000 1.115 979 E CA -0.698 55.729 56.400 0.044 0.000 0.929 979 E CB 0.658 30.480 29.700 0.204 0.000 1.161 979 E HN 0.826 nan 8.360 nan 0.000 0.453 980 E N 0.276 120.469 120.200 -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 1.764 58.126 56.400 -0.063 0.000 0.818 980 E CB 0.016 29.684 29.700 -0.054 0.000 0.749 980 E HN 0.571 nan 8.360 nan 0.000 0.453 981 G N -1.405 107.276 108.800 -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 -0.642 174.153 174.900 -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 0.411 114.851 114.554 -0.189 0.000 2.841 982 T HA 0.397 4.747 4.350 -0.000 0.000 0.285 982 T C -1.583 172.969 174.700 -0.246 0.000 0.991 982 T CA -0.121 61.899 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 -0.414 175.989 176.519 -0.194 0.000 1.168 983 W CA -0.739 56.518 57.345 -0.146 0.000 1.200 983 W CB 0.916 30.300 29.460 -0.126 0.000 1.221 983 W HN 0.338 nan 8.180 nan 0.000 0.519 984 L N 5.495 126.781 121.223 0.106 0.000 2.381 984 L HA 0.485 4.825 4.340 -0.000 0.000 0.274 984 L C -1.070 175.734 176.870 -0.110 0.000 0.988 984 L CA -0.532 54.238 54.840 -0.117 0.000 0.824 984 L CB 1.018 42.877 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 0.498 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 2.311 40.727 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 -0.657 175.298 176.117 -0.271 0.000 1.007 986 I CA -0.615 60.500 61.300 -0.309 0.000 1.142 986 I CB 1.602 39.282 38.000 -0.533 0.000 1.289 986 I HN 0.140 nan 8.210 nan 0.000 0.453 987 D N 4.604 124.875 120.400 -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 -0.448 0.000 1.054 987 D CA -0.192 53.629 54.000 -0.299 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 1.248 109.507 108.800 -0.901 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 0.063 174.103 174.900 -1.434 0.000 1.146 988 G CA 0.490 44.776 45.100 -1.357 0.000 0.793 988 G HN 0.386 nan 8.290 nan 0.000 0.537 989 F N -1.811 117.932 119.950 -0.345 0.000 2.654 989 F HA 0.544 5.071 4.527 -0.000 0.000 0.308 989 F C -0.695 175.008 175.800 -0.161 0.000 1.108 989 F CA -1.215 56.666 58.000 -0.199 0.000 0.957 989 F CB 1.978 40.800 39.000 -0.296 0.000 1.309 989 F HN -0.074 nan 8.300 nan 0.000 0.446 990 H N 2.542 121.630 119.070 0.029 0.000 2.954 990 H HA 0.388 4.944 4.556 -0.000 0.000 0.361 990 H C -1.125 174.227 175.328 0.041 0.000 1.122 990 H CA -0.746 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 2.763 122.326 119.600 -0.062 0.000 2.250 991 M HA 0.249 4.729 4.480 -0.000 0.000 0.325 991 M C 0.555 176.976 176.300 0.201 0.000 1.084 991 M CA 0.480 55.806 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 2.895 111.787 108.800 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 0.549 175.427 174.900 -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 -2.467 118.029 120.570 -0.122 0.000 3.939 993 I HA 0.443 4.613 4.170 -0.000 0.000 0.313 993 I C 1.136 177.181 176.117 -0.119 0.000 1.274 993 I CA 0.503 61.704 61.300 -0.165 0.000 1.301 993 I CB -0.360 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 1.668 110.414 108.800 -0.090 0.000 2.645 994 G HA2 0.039 3.999 3.960 -0.000 0.000 0.239 994 G HA3 0.039 3.999 3.960 -0.000 0.000 0.239 994 G C 0.569 175.456 174.900 -0.022 0.000 1.331 994 G CA 0.121 45.205 45.100 -0.026 0.000 0.890 994 G HN 1.411 nan 8.290 nan 0.000 0.572 995 G N -2.287 106.513 108.800 -0.001 0.000 2.559 995 G HA2 0.046 4.006 3.960 -0.000 0.000 0.202 995 G HA3 0.046 4.006 3.960 -0.000 0.000 0.202 995 G C 0.586 175.514 174.900 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 0.131 4.771 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 -3.801 116.380 120.400 -0.366 0.000 2.694 997 D HA 0.265 4.905 4.640 -0.000 0.000 0.260 997 D C -0.873 174.842 176.300 -0.976 0.000 1.250 997 D CA -0.733 52.585 54.000 -1.137 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 -0.145 114.763 115.700 -1.319 0.000 2.588 998 S HA 0.255 4.725 4.470 -0.000 0.000 0.245 998 S C -0.624 174.040 174.600 0.106 0.000 1.021 998 S CA -0.715 57.341 58.200 -0.240 0.000 1.006 998 S CB -0.617 62.752 63.200 0.281 0.000 0.830 998 S HN 0.597 nan 8.310 nan 0.000 0.468 999 W N 1.118 122.351 121.300 -0.113 0.000 1.832 999 W HA 0.598 5.258 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 28.769 29.460 -0.189 0.000 1.081 999 W HN 0.175 nan 8.180 nan 0.000 0.499 1000 S N -1.291 114.309 115.700 -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 -1.478 56.642 58.200 -0.134 0.000 0.825 1000 S CB 1.510 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 0.261 177.591 177.300 0.050 0.000 1.242 1001 P CA -0.109 62.997 63.100 0.011 0.000 0.768 1001 P CB 0.701 32.301 31.700 -0.167 0.000 0.820 1002 S N 1.063 116.824 115.700 0.103 0.000 2.846 1002 S HA 0.169 4.639 4.470 -0.000 0.000 0.249 1002 S C 0.161 174.831 174.600 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 0.790 177.043 176.094 0.264 0.000 1.043 1003 V CA -0.394 62.025 62.300 0.197 0.000 0.906 1003 V CB 0.761 32.666 31.823 0.137 0.000 0.995 1003 V HN 0.676 nan 8.190 nan 0.000 0.467 1004 S N 4.673 120.558 115.700 0.309 0.000 2.572 1004 S HA 0.330 4.800 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 58.410 58.200 0.296 0.000 1.043 1004 S CB 1.399 64.741 63.200 0.235 0.000 0.887 1004 S HN 1.063 nan 8.310 nan 0.000 0.516 1005 A N 2.152 125.067 122.820 0.159 0.000 1.958 1005 A HA -0.188 4.132 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 1.967 54.075 52.037 0.117 0.000 0.642 1005 A CB -1.168 17.880 19.000 0.080 0.000 0.816 1005 A HN 0.994 nan 8.150 nan 0.000 0.453 1006 E N -1.212 118.900 120.200 -0.147 0.000 2.409 1006 E HA -0.085 4.265 4.350 -0.000 0.000 0.198 1006 E C 0.775 176.996 176.600 -0.632 0.000 1.024 1006 E CA 0.990 57.133 56.400 -0.428 0.000 0.861 1006 E CB -0.312 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 0.868 120.871 119.950 0.087 0.000 2.678 1007 F HA 0.199 4.726 4.527 -0.000 0.000 0.305 1007 F C 0.666 176.509 175.800 0.071 0.000 1.090 1007 F CA -0.452 57.599 58.000 0.084 0.000 1.272 1007 F CB 0.370 39.418 39.000 0.080 0.000 1.060 1007 F HN -0.160 nan 8.300 nan 0.000 0.576 1008 Q N 1.189 121.109 119.800 0.200 0.000 2.227 1008 Q HA 0.408 4.748 4.340 -0.000 0.000 0.245 1008 Q C -0.225 175.819 176.000 0.073 0.000 0.926 1008 Q CA -0.539 55.367 55.803 0.173 0.000 0.895 1008 Q CB 1.828 30.766 28.738 0.334 0.000 1.230 1008 Q HN 0.236 nan 8.270 nan 0.000 0.450 1009 L N 2.355 123.594 121.223 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 -0.167 0.000 1.202 1009 L CA -0.064 54.749 54.840 -0.045 0.000 1.119 1009 L CB -0.293 41.639 42.059 -0.211 0.000 1.383 1009 L HN 0.732 nan 8.230 nan 0.000 0.411 1010 S N -1.064 114.498 115.700 -0.230 0.000 2.539 1010 S HA 0.115 4.585 4.470 -0.000 0.000 0.221 1010 S C 1.791 176.294 174.600 -0.161 0.000 0.987 1010 S CA 0.220 58.113 58.200 -0.511 0.000 0.929 1010 S CB 0.681 63.635 63.200 -0.410 0.000 0.832 1010 S HN 0.513 nan 8.310 nan 0.000 0.492 1011 A N 1.853 124.624 122.820 -0.081 0.000 2.024 1011 A HA 0.353 4.673 4.320 -0.000 0.000 0.220 1011 A C 2.203 179.631 177.584 -0.259 0.000 1.164 1011 A CA 1.633 53.492 52.037 -0.296 0.000 0.643 1011 A CB -1.402 17.145 19.000 -0.755 0.000 0.806 1011 A HN 1.528 nan 8.150 nan 0.000 0.451 1012 G N -1.863 106.874 108.800 -0.104 0.000 2.363 1012 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.238 1012 G HA3 -0.281 3.679 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 0.454 45.548 45.100 -0.009 0.000 0.629 1012 G HN 0.728 nan 8.290 nan 0.000 0.514 1013 R N -0.653 119.656 120.500 -0.319 0.000 2.574 1013 R HA 0.650 4.990 4.340 -0.000 0.000 0.288 1013 R C -1.626 174.332 176.300 -0.568 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 0.214 nan 8.270 nan 0.000 0.444 1014 Y N 0.317 120.613 120.300 -0.006 0.000 2.477 1014 Y HA 0.377 4.927 4.550 -0.000 0.000 0.347 1014 Y C -0.369 175.703 175.900 0.287 0.000 0.981 1014 Y CA -0.899 57.193 58.100 -0.014 0.000 1.033 1014 Y CB 2.169 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 2.601 121.971 119.070 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 1.322 31.229 29.762 0.242 0.000 1.681 1015 H HN 0.597 nan 8.280 nan 0.000 0.534 1016 Y N 1.277 121.279 120.300 -0.498 0.000 2.656 1016 Y HA 0.526 5.076 4.550 -0.000 0.000 0.334 1016 Y C -2.009 173.684 175.900 -0.346 0.000 1.179 1016 Y CA -1.096 56.826 58.100 -0.296 0.000 1.050 1016 Y CB 1.309 39.712 38.460 -0.095 0.000 1.308 1016 Y HN 0.701 nan 8.280 nan 0.000 0.456 1017 Q N 2.774 122.547 119.800 -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 0.030 0.000 1.418 1017 Q HN 0.770 nan 8.270 nan 0.000 0.411 1018 L N 0.824 122.094 121.223 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 1.427 121.480 119.914 0.233 0.000 2.531 1019 V HA 0.483 4.603 4.120 -0.000 0.000 0.301 1019 V C -1.040 175.250 176.094 0.326 0.000 1.034 1019 V CA -0.452 62.003 62.300 0.257 0.000 0.865 1019 V CB 2.136 34.083 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