REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 1bgm_1_M DATA FIRST_RESID 3 DATA SEQUENCE ITDSLAVVLQ RRDWENPGVT QLNRLAAHPP FASWRNSEEA RTDRPSQQLR DATA SEQUENCE SLNGEWRFAW FPAPEAVPES WLECDLPEAD TVVVPSNWQM HGYDAPIYTN DATA SEQUENCE VTYPITVNPP FVPTENPTGC YSLTFNVDES WLQEGQTRII FDGVNSAFHL DATA SEQUENCE WCNGRWVGYG QDSRLPSEFD LSAFLRAGEN RLAVMVLRWS DGSYLEDQDM DATA SEQUENCE WRMSGIFRDV SLLHKPTTQI SDFHVATRFN DDFSRAVLEA EVQMCGELRD DATA SEQUENCE YLRVTVSLWQ GETQVASGTA PFGGEIIDER GGYADRVTLR LNVENPKLWS DATA SEQUENCE AEIPNLYRAV VELHTADGTL IEAEACDVGF REVRIENGLL LLNGKPLLIR DATA SEQUENCE GVNRHEHHPL HGQVMDEQTM VQDILLMKQN NFNAVRCSHY PNHPLWYTLC DATA SEQUENCE DRYGLYVVDE ANIETHGMVP MNRLTDDPRW LPAMSERVTR MVQRDRNHPS DATA SEQUENCE VIIWSLGNES GHGANHDALY RWIKSVDPSR PVQYEGGGAD TTATDIICPM DATA SEQUENCE YARVDEDQPF PAVPKWSIKK WLSLPGETRP LILCEYAHAM GNSLGGFAKY DATA SEQUENCE WQAFRQYPRL QGGFVWDWVD QSLIKYDENG NPWSAYGGDF GDTPNDRQFC DATA SEQUENCE MNGLVFADRT PHPALTEAKH QQQFFQFRLS GQTIEVTSEY LFRHSDNELL DATA SEQUENCE HWMVALDGKP LASGEVPLDV APQGKQLIEL PELPQPESAG QLWLTVRVVQ DATA SEQUENCE PNATAWSEAG HISAWQQWRL AENLSVTLPA ASHAIPHLTT SEMDFCIELG DATA SEQUENCE NKRWQFNRQS GFLSQMWIGD KKQLLTPLRD QFTRAPLDND IGVSEATRID DATA SEQUENCE PNAWVERWKA AGHYQAEAAL LQCTADTLAD AVLITTAHAW QHQGKTLFIS DATA SEQUENCE RKTYRIDGSG QMAITVDVEV ASDTPHPARI GLNCQLAQVA ERVNWLGLGP DATA SEQUENCE QENYPDRLTA ACFDRWDLPL SDMYTPYVFP SENGLRCGTR ELNYGPHQWR DATA SEQUENCE GDFQFNISRY SQQQLMETSH RHLLHAEEGT WLNIDGFHMG IGGDDSWSPS DATA SEQUENCE VSAEFQLSAG RYHYQLVWCQ K VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 3 I HA 0.000 nan 4.170 nan 0.000 0.288 3 I C 0.000 176.134 176.117 0.028 0.000 1.063 3 I CA 0.000 61.315 61.300 0.025 0.000 1.566 3 I CB 0.000 38.007 38.000 0.011 0.000 1.214 4 T N -0.994 113.575 114.554 0.026 0.000 2.962 4 T HA -0.036 4.314 4.350 -0.000 0.000 0.270 4 T C 1.020 175.735 174.700 0.024 0.000 1.088 4 T CA 1.691 63.791 62.100 0.000 0.000 1.127 4 T CB -0.775 68.081 68.868 -0.021 0.000 0.883 4 T HN 0.412 nan 8.240 nan 0.000 0.493 5 D N 2.234 122.709 120.400 0.125 0.000 2.378 5 D HA 0.060 4.700 4.640 -0.000 0.000 0.227 5 D C 0.958 177.442 176.300 0.306 0.000 1.012 5 D CA 0.247 54.432 54.000 0.309 0.000 0.905 5 D CB -0.381 40.646 40.800 0.379 0.000 0.895 5 D HN 0.555 nan 8.370 nan 0.000 0.532 6 S N 0.263 116.042 115.700 0.132 0.000 2.525 6 S HA 0.024 4.494 4.470 -0.000 0.000 0.285 6 S C 1.393 176.059 174.600 0.109 0.000 1.283 6 S CA -0.630 57.615 58.200 0.074 0.000 1.072 6 S CB 0.650 63.868 63.200 0.029 0.000 0.867 6 S HN 0.065 nan 8.310 nan 0.000 0.492 7 L N 4.817 126.076 121.223 0.059 0.000 2.021 7 L HA -0.178 4.162 4.340 -0.000 0.000 0.215 7 L C 2.941 179.869 176.870 0.096 0.000 1.074 7 L CA 2.449 57.343 54.840 0.090 0.000 0.760 7 L CB -1.121 40.924 42.059 -0.024 0.000 0.889 7 L HN 0.975 nan 8.230 nan 0.000 0.433 8 A N -1.060 121.787 122.820 0.045 0.000 1.903 8 A HA -0.222 4.098 4.320 -0.000 0.000 0.219 8 A C 2.277 179.878 177.584 0.028 0.000 1.191 8 A CA 2.371 54.428 52.037 0.034 0.000 0.638 8 A CB -1.066 17.942 19.000 0.013 0.000 0.823 8 A HN 0.239 nan 8.150 nan 0.000 0.451 9 V N -0.072 119.851 119.914 0.016 0.000 2.221 9 V HA -0.257 3.863 4.120 -0.000 0.000 0.240 9 V C 2.596 178.658 176.094 -0.055 0.000 1.041 9 V CA 2.040 64.326 62.300 -0.024 0.000 0.991 9 V CB -1.278 30.525 31.823 -0.034 0.000 0.634 9 V HN 0.493 nan 8.190 nan 0.000 0.450 10 V N 0.526 120.396 119.914 -0.073 0.000 2.225 10 V HA -0.370 3.750 4.120 -0.000 0.000 0.252 10 V C 2.304 178.363 176.094 -0.058 0.000 1.055 10 V CA 2.569 64.742 62.300 -0.211 0.000 1.032 10 V CB -1.514 30.163 31.823 -0.245 0.000 0.655 10 V HN 0.495 nan 8.190 nan 0.000 0.458 11 L N -0.068 121.228 121.223 0.123 0.000 2.270 11 L HA -0.257 4.083 4.340 -0.000 0.000 0.217 11 L C 2.717 179.651 176.870 0.106 0.000 1.107 11 L CA 2.081 57.085 54.840 0.273 0.000 0.772 11 L CB -1.096 41.190 42.059 0.378 0.000 0.902 11 L HN 0.483 nan 8.230 nan 0.000 0.439 12 Q N 1.192 121.003 119.800 0.018 0.000 2.173 12 Q HA -0.218 4.122 4.340 -0.000 0.000 0.208 12 Q C 2.173 178.124 176.000 -0.082 0.000 0.989 12 Q CA 1.785 57.569 55.803 -0.030 0.000 0.872 12 Q CB -0.139 28.570 28.738 -0.048 0.000 0.909 12 Q HN 0.408 nan 8.270 nan 0.000 0.420 13 R N -0.350 120.087 120.500 -0.104 0.000 2.109 13 R HA 0.011 4.351 4.340 -0.000 0.000 0.227 13 R C 0.263 176.416 176.300 -0.244 0.000 1.132 13 R CA 1.387 57.393 56.100 -0.155 0.000 0.907 13 R CB -0.095 30.106 30.300 -0.164 0.000 0.825 13 R HN 0.175 nan 8.270 nan 0.000 0.432 14 R N 0.136 120.413 120.500 -0.371 0.000 2.950 14 R HA -0.084 4.256 4.340 -0.000 0.000 0.270 14 R C -1.009 174.944 176.300 -0.579 0.000 1.034 14 R CA 0.138 55.705 56.100 -0.888 0.000 0.668 14 R CB -1.287 28.546 30.300 -0.779 0.000 1.350 14 R HN 0.374 nan 8.270 nan 0.000 0.384 15 D N -0.296 119.906 120.400 -0.330 0.000 2.349 15 D HA -0.074 4.566 4.640 -0.000 0.000 0.224 15 D C 1.366 177.752 176.300 0.143 0.000 1.029 15 D CA 0.907 54.772 54.000 -0.225 0.000 0.879 15 D CB -0.011 40.415 40.800 -0.623 0.000 0.906 15 D HN 0.706 nan 8.370 nan 0.000 0.528 16 W N 0.893 122.278 121.300 0.142 0.000 3.239 16 W HA 0.294 4.954 4.660 -0.000 0.000 0.348 16 W C 0.443 177.099 176.519 0.229 0.000 1.183 16 W CA -0.433 57.067 57.345 0.258 0.000 1.819 16 W CB -0.059 29.568 29.460 0.279 0.000 1.091 16 W HN -0.179 nan 8.180 nan 0.000 0.629 17 E N 0.784 120.950 120.200 -0.055 0.000 2.812 17 E HA 0.075 4.425 4.350 -0.000 0.000 0.211 17 E C -0.473 176.106 176.600 -0.035 0.000 0.986 17 E CA -0.251 56.143 56.400 -0.011 0.000 1.119 17 E CB -0.024 29.674 29.700 -0.002 0.000 1.046 17 E HN 0.013 nan 8.360 nan 0.000 0.474 18 N N 1.868 120.550 118.700 -0.029 0.000 2.573 18 N HA 0.168 4.908 4.740 -0.000 0.000 0.262 18 N C -2.034 173.416 175.510 -0.099 0.000 1.029 18 N CA -2.395 50.601 53.050 -0.091 0.000 0.882 18 N CB 1.565 39.992 38.487 -0.099 0.000 1.204 18 N HN -0.216 nan 8.380 nan 0.000 0.519 19 P HA -0.063 nan 4.420 nan 0.000 0.218 19 P C 1.300 178.431 177.300 -0.282 0.000 1.148 19 P CA 1.027 63.880 63.100 -0.412 0.000 0.822 19 P CB 0.151 31.116 31.700 -1.224 0.000 0.784 20 G N 0.074 108.715 108.800 -0.264 0.000 2.469 20 G HA2 -0.148 3.812 3.960 -0.000 0.000 0.219 20 G HA3 -0.148 3.812 3.960 -0.000 0.000 0.219 20 G C 0.521 175.362 174.900 -0.098 0.000 1.150 20 G CA 0.688 45.678 45.100 -0.184 0.000 0.763 20 G HN 0.261 nan 8.290 nan 0.000 0.561 21 V N 0.130 120.012 119.914 -0.054 0.000 2.532 21 V HA 0.598 4.718 4.120 -0.000 0.000 0.295 21 V C 0.820 176.987 176.094 0.122 0.000 1.041 21 V CA 0.304 62.617 62.300 0.022 0.000 0.926 21 V CB 1.610 33.431 31.823 -0.003 0.000 0.992 21 V HN 0.374 nan 8.190 nan 0.000 0.457 22 T N -0.195 114.458 114.554 0.165 0.000 3.252 22 T HA 0.349 4.699 4.350 -0.000 0.000 0.295 22 T C -0.138 174.652 174.700 0.149 0.000 0.897 22 T CA 0.347 62.552 62.100 0.174 0.000 0.905 22 T CB 0.209 69.124 68.868 0.079 0.000 1.202 22 T HN 0.928 nan 8.240 nan 0.000 0.592 23 Q N 0.536 120.472 119.800 0.227 0.000 2.848 23 Q HA 0.676 5.016 4.340 -0.000 0.000 0.288 23 Q C -2.470 173.680 176.000 0.250 0.000 0.907 23 Q CA -1.034 54.889 55.803 0.199 0.000 0.792 23 Q CB 0.642 29.401 28.738 0.035 0.000 1.534 23 Q HN 0.268 nan 8.270 nan 0.000 0.419 24 L N 1.923 123.320 121.223 0.289 0.000 2.543 24 L HA 0.523 4.863 4.340 -0.000 0.000 0.265 24 L C -0.886 176.179 176.870 0.325 0.000 0.945 24 L CA -1.059 53.973 54.840 0.321 0.000 0.869 24 L CB 2.068 44.407 42.059 0.466 0.000 1.294 24 L HN 0.893 nan 8.230 nan 0.000 0.405 25 N N 0.920 119.757 118.700 0.228 0.000 2.696 25 N HA -0.238 4.502 4.740 -0.000 0.000 0.249 25 N C -0.000 175.534 175.510 0.040 0.000 1.090 25 N CA 0.846 54.012 53.050 0.194 0.000 0.716 25 N CB -1.084 37.566 38.487 0.271 0.000 1.020 25 N HN 0.653 nan 8.380 nan 0.000 0.548 26 R N 0.806 121.174 120.500 -0.220 0.000 2.312 26 R HA 0.385 4.725 4.340 -0.000 0.000 0.311 26 R C 1.040 177.117 176.300 -0.370 0.000 1.004 26 R CA -0.599 55.023 56.100 -0.796 0.000 0.902 26 R CB 0.750 30.626 30.300 -0.706 0.000 1.073 26 R HN 0.104 nan 8.270 nan 0.000 0.457 27 L N 1.954 122.971 121.223 -0.344 0.000 2.240 27 L HA 0.076 4.416 4.340 -0.000 0.000 0.166 27 L C 0.692 177.531 176.870 -0.052 0.000 0.893 27 L CA 0.128 54.897 54.840 -0.118 0.000 1.058 27 L CB -0.197 41.843 42.059 -0.032 0.000 1.371 27 L HN 0.665 nan 8.230 nan 0.000 0.480 28 A N -0.671 122.174 122.820 0.041 0.000 2.317 28 A HA 0.664 4.984 4.320 -0.000 0.000 0.327 28 A C -0.064 177.649 177.584 0.214 0.000 1.178 28 A CA -0.339 51.755 52.037 0.095 0.000 0.817 28 A CB 1.035 20.096 19.000 0.103 0.000 1.189 28 A HN 0.651 nan 8.150 nan 0.000 0.489 29 A N 1.668 124.559 122.820 0.117 0.000 2.429 29 A HA 0.615 4.935 4.320 -0.000 0.000 0.242 29 A C 0.260 177.948 177.584 0.174 0.000 1.088 29 A CA 1.081 53.152 52.037 0.056 0.000 0.784 29 A CB -0.195 18.809 19.000 0.006 0.000 1.038 29 A HN 2.134 nan 8.150 nan 0.000 0.501 30 H N -3.118 115.951 119.070 -0.001 0.000 2.883 30 H HA 0.481 5.037 4.556 -0.000 0.000 0.266 30 H C -3.289 171.957 175.328 -0.137 0.000 1.446 30 H CA -1.244 54.797 56.048 -0.013 0.000 1.179 30 H CB -0.192 29.621 29.762 0.086 0.000 1.806 30 H HN 0.418 nan 8.280 nan 0.000 0.467 31 P HA 0.200 nan 4.420 nan 0.000 0.310 31 P C -2.526 174.572 177.300 -0.336 0.000 1.309 31 P CA -0.951 62.020 63.100 -0.214 0.000 0.753 31 P CB -0.592 31.010 31.700 -0.162 0.000 1.491 32 P HA 0.396 nan 4.420 nan 0.000 0.305 32 P C -1.161 176.023 177.300 -0.194 0.000 1.378 32 P CA -0.213 62.768 63.100 -0.199 0.000 0.926 32 P CB 0.655 32.333 31.700 -0.037 0.000 1.051 33 F N 1.087 121.190 119.950 0.254 0.000 2.469 33 F HA 0.610 5.137 4.527 -0.000 0.000 0.332 33 F C 1.155 176.969 175.800 0.025 0.000 1.103 33 F CA -0.779 57.312 58.000 0.152 0.000 0.979 33 F CB 1.439 40.494 39.000 0.091 0.000 1.137 33 F HN 0.316 nan 8.300 nan 0.000 0.463 34 A N 0.921 123.825 122.820 0.141 0.000 2.382 34 A HA 0.292 4.612 4.320 -0.000 0.000 0.228 34 A C 1.115 178.531 177.584 -0.279 0.000 1.217 34 A CA 0.575 52.411 52.037 -0.334 0.000 0.923 34 A CB -0.338 17.889 19.000 -1.288 0.000 0.979 34 A HN 0.834 nan 8.150 nan 0.000 0.515 35 S N -0.000 115.708 115.700 0.014 0.000 3.486 35 S HA -0.165 4.305 4.470 -0.000 0.000 0.371 35 S C 0.440 175.065 174.600 0.042 0.000 1.001 35 S CA 0.505 58.698 58.200 -0.011 0.000 1.164 35 S CB -1.749 61.377 63.200 -0.124 0.000 0.911 35 S HN 0.516 nan 8.310 nan 0.000 0.472 36 W N 0.380 121.682 121.300 0.002 0.000 1.763 36 W HA 0.075 4.735 4.660 -0.000 0.000 0.328 36 W C 1.661 178.175 176.519 -0.008 0.000 1.331 36 W CA -0.130 57.221 57.345 0.009 0.000 1.539 36 W CB -0.025 29.441 29.460 0.011 0.000 1.424 36 W HN 0.325 nan 8.180 nan 0.000 0.729 37 R N 0.302 120.991 120.500 0.315 0.000 2.518 37 R HA 0.065 4.405 4.340 -0.000 0.000 0.419 37 R C -0.895 175.492 176.300 0.146 0.000 0.902 37 R CA -0.260 55.939 56.100 0.164 0.000 1.146 37 R CB -0.307 30.060 30.300 0.112 0.000 1.652 37 R HN 0.386 nan 8.270 nan 0.000 0.555 38 N N 0.117 118.927 118.700 0.184 0.000 2.478 38 N HA 0.028 4.768 4.740 -0.000 0.000 0.291 38 N C 0.750 176.245 175.510 -0.026 0.000 1.090 38 N CA 0.058 53.164 53.050 0.093 0.000 0.911 38 N CB 1.819 40.367 38.487 0.102 0.000 1.546 38 N HN -0.099 nan 8.380 nan 0.000 0.500 39 S N 2.753 118.416 115.700 -0.061 0.000 2.398 39 S HA -0.235 4.235 4.470 -0.000 0.000 0.220 39 S C 1.288 175.744 174.600 -0.240 0.000 1.038 39 S CA 1.630 59.749 58.200 -0.136 0.000 1.080 39 S CB -0.772 62.387 63.200 -0.069 0.000 1.039 39 S HN 0.727 nan 8.310 nan 0.000 0.419 40 E N 0.857 120.955 120.200 -0.171 0.000 2.233 40 E HA -0.225 4.125 4.350 -0.000 0.000 0.199 40 E C 2.151 178.626 176.600 -0.207 0.000 1.004 40 E CA 1.594 57.874 56.400 -0.199 0.000 0.819 40 E CB -0.151 29.475 29.700 -0.125 0.000 0.738 40 E HN 0.762 nan 8.360 nan 0.000 0.478 41 E N -0.351 119.742 120.200 -0.178 0.000 2.021 41 E HA -0.105 4.245 4.350 -0.000 0.000 0.189 41 E C 2.085 178.363 176.600 -0.538 0.000 0.980 41 E CA 0.690 57.035 56.400 -0.092 0.000 0.803 41 E CB -0.117 29.766 29.700 0.305 0.000 0.766 41 E HN 0.223 nan 8.360 nan 0.000 0.449 42 A N 1.907 123.839 122.820 -1.480 0.000 1.908 42 A HA -0.281 4.039 4.320 -0.000 0.000 0.218 42 A C 2.102 179.084 177.584 -1.002 0.000 1.181 42 A CA 2.012 52.659 52.037 -2.317 0.000 0.627 42 A CB -0.626 17.280 19.000 -1.824 0.000 0.818 42 A HN 0.153 nan 8.150 nan 0.000 0.445 43 R N 0.203 120.331 120.500 -0.620 0.000 2.103 43 R HA -0.166 4.174 4.340 -0.000 0.000 0.234 43 R C 1.911 178.009 176.300 -0.337 0.000 1.132 43 R CA 2.611 58.445 56.100 -0.443 0.000 0.925 43 R CB -1.047 28.933 30.300 -0.532 0.000 0.842 43 R HN 0.505 nan 8.270 nan 0.000 0.430 44 T N -2.010 112.370 114.554 -0.289 0.000 3.380 44 T HA 0.068 4.418 4.350 -0.000 0.000 0.250 44 T C 0.396 175.081 174.700 -0.025 0.000 1.082 44 T CA 0.469 62.480 62.100 -0.149 0.000 0.968 44 T CB -0.147 68.643 68.868 -0.130 0.000 1.027 44 T HN 0.503 nan 8.240 nan 0.000 0.575 45 D N 1.216 121.610 120.400 -0.010 0.000 3.059 45 D HA -0.202 4.438 4.640 -0.000 0.000 0.222 45 D C 0.497 177.014 176.300 0.363 0.000 1.185 45 D CA 0.658 54.800 54.000 0.236 0.000 0.904 45 D CB -0.826 40.078 40.800 0.173 0.000 1.122 45 D HN 0.686 nan 8.370 nan 0.000 0.410 46 R N 0.005 120.703 120.500 0.329 0.000 3.026 46 R HA 0.167 4.507 4.340 -0.000 0.000 0.284 46 R C -1.915 174.576 176.300 0.317 0.000 1.013 46 R CA -0.209 56.068 56.100 0.295 0.000 1.188 46 R CB -0.809 29.634 30.300 0.238 0.000 1.151 46 R HN 0.222 nan 8.270 nan 0.000 0.514 47 P HA 0.057 nan 4.420 nan 0.000 0.276 47 P C -0.861 176.388 177.300 -0.085 0.000 1.244 47 P CA -0.323 62.800 63.100 0.039 0.000 0.801 47 P CB 1.139 32.864 31.700 0.040 0.000 1.006 48 S N 0.912 116.445 115.700 -0.279 0.000 2.596 48 S HA 0.111 4.581 4.470 -0.000 0.000 0.318 48 S C 1.203 175.712 174.600 -0.152 0.000 1.097 48 S CA -0.598 57.354 58.200 -0.414 0.000 1.080 48 S CB 0.436 62.991 63.200 -1.074 0.000 0.991 48 S HN 0.303 nan 8.310 nan 0.000 0.471 49 Q N 3.144 122.928 119.800 -0.025 0.000 2.197 49 Q HA -0.253 4.087 4.340 -0.000 0.000 0.211 49 Q C 1.048 177.197 176.000 0.247 0.000 0.993 49 Q CA 1.841 57.706 55.803 0.105 0.000 0.883 49 Q CB -0.341 28.477 28.738 0.133 0.000 0.916 49 Q HN 0.769 nan 8.270 nan 0.000 0.418 50 Q N -0.156 119.737 119.800 0.155 0.000 2.488 50 Q HA 0.044 4.384 4.340 -0.000 0.000 0.211 50 Q C -0.117 175.981 176.000 0.164 0.000 0.967 50 Q CA 0.351 56.252 55.803 0.162 0.000 0.926 50 Q CB 0.141 28.838 28.738 -0.068 0.000 0.992 50 Q HN 0.101 nan 8.270 nan 0.000 0.506 51 L N 0.780 122.072 121.223 0.115 0.000 2.296 51 L HA 0.434 4.774 4.340 -0.000 0.000 0.286 51 L C -0.966 175.992 176.870 0.147 0.000 1.023 51 L CA -0.220 54.674 54.840 0.090 0.000 0.812 51 L CB 1.068 43.097 42.059 -0.049 0.000 1.223 51 L HN -0.075 nan 8.230 nan 0.000 0.421 52 R N 2.740 123.347 120.500 0.177 0.000 2.538 52 R HA 0.356 4.696 4.340 -0.000 0.000 0.292 52 R C -1.156 175.170 176.300 0.044 0.000 1.008 52 R CA -0.505 55.657 56.100 0.104 0.000 0.896 52 R CB 2.213 32.566 30.300 0.089 0.000 1.187 52 R HN 0.670 nan 8.270 nan 0.000 0.440 53 S N 3.520 119.230 115.700 0.016 0.000 2.475 53 S HA 0.273 4.743 4.470 -0.000 0.000 0.281 53 S C 1.253 175.852 174.600 -0.001 0.000 1.198 53 S CA -0.579 57.622 58.200 0.002 0.000 1.063 53 S CB 0.572 63.782 63.200 0.015 0.000 0.972 53 S HN 0.552 nan 8.310 nan 0.000 0.486 54 L N 3.465 124.687 121.223 -0.001 0.000 2.612 54 L HA 0.178 4.518 4.340 -0.000 0.000 0.230 54 L C 0.361 177.427 176.870 0.327 0.000 1.140 54 L CA -0.106 54.772 54.840 0.063 0.000 0.896 54 L CB -0.812 41.237 42.059 -0.015 0.000 1.065 54 L HN 0.538 nan 8.230 nan 0.000 0.447 55 N N 1.745 120.547 118.700 0.170 0.000 2.411 55 N HA 0.297 5.037 4.740 -0.000 0.000 0.265 55 N C 0.625 176.240 175.510 0.176 0.000 1.266 55 N CA 0.961 54.087 53.050 0.128 0.000 0.889 55 N CB 1.107 39.618 38.487 0.040 0.000 1.069 55 N HN 0.381 nan 8.380 nan 0.000 0.476 56 G N 1.754 110.680 108.800 0.211 0.000 2.534 56 G HA2 -0.022 3.938 3.960 -0.000 0.000 0.142 56 G HA3 -0.022 3.938 3.960 -0.000 0.000 0.142 56 G C -1.385 173.697 174.900 0.303 0.000 1.178 56 G CA -0.725 44.501 45.100 0.210 0.000 1.037 56 G HN 0.438 nan 8.290 nan 0.000 0.474 57 E N -0.079 120.307 120.200 0.310 0.000 2.259 57 E HA 0.526 4.876 4.350 -0.000 0.000 0.281 57 E C -1.160 175.741 176.600 0.502 0.000 1.027 57 E CA -0.239 56.348 56.400 0.312 0.000 0.838 57 E CB 1.125 30.927 29.700 0.171 0.000 1.066 57 E HN 0.361 nan 8.360 nan 0.000 0.401 58 W N 1.316 122.674 121.300 0.097 0.000 3.032 58 W HA 0.442 5.102 4.660 -0.000 0.000 0.341 58 W C -0.041 176.552 176.519 0.123 0.000 1.202 58 W CA -0.751 56.676 57.345 0.137 0.000 1.132 58 W CB 0.826 30.416 29.460 0.218 0.000 1.465 58 W HN 0.280 nan 8.180 nan 0.000 0.576 59 R N 0.768 121.490 120.500 0.371 0.000 2.674 59 R HA 0.734 5.074 4.340 -0.000 0.000 0.266 59 R C -1.295 175.152 176.300 0.246 0.000 1.016 59 R CA -0.836 55.412 56.100 0.248 0.000 1.062 59 R CB 1.813 32.217 30.300 0.173 0.000 1.142 59 R HN 0.418 nan 8.270 nan 0.000 0.517 60 F N -0.386 119.521 119.950 -0.071 0.000 2.650 60 F HA 0.717 5.244 4.527 -0.000 0.000 0.320 60 F C -1.553 174.080 175.800 -0.278 0.000 1.091 60 F CA -0.590 57.238 58.000 -0.287 0.000 0.962 60 F CB 2.057 40.762 39.000 -0.493 0.000 1.363 60 F HN 0.616 nan 8.300 nan 0.000 0.482 61 A N 1.843 123.627 122.820 -1.728 0.000 2.609 61 A HA 0.684 5.004 4.320 -0.000 0.000 0.291 61 A C -2.556 174.129 177.584 -1.498 0.000 1.096 61 A CA -0.536 50.841 52.037 -1.100 0.000 0.684 61 A CB 0.993 19.624 19.000 -0.615 0.000 1.282 61 A HN 1.003 nan 8.150 nan 0.000 0.412 62 W N 0.444 121.178 121.300 -0.944 0.000 3.127 62 W HA 0.778 5.438 4.660 -0.000 0.000 0.330 62 W C -2.425 173.714 176.519 -0.633 0.000 1.187 62 W CA -0.498 56.417 57.345 -0.717 0.000 1.198 62 W CB 1.656 30.901 29.460 -0.360 0.000 1.408 62 W HN 0.572 nan 8.180 nan 0.000 0.529 63 F N 4.686 123.790 119.950 -1.410 0.000 2.650 63 F HA 0.302 4.829 4.527 -0.000 0.000 0.310 63 F C -1.592 173.239 175.800 -1.616 0.000 1.112 63 F CA -1.897 55.464 58.000 -1.067 0.000 0.986 63 F CB 1.536 40.172 39.000 -0.607 0.000 1.285 63 F HN 0.081 nan 8.300 nan 0.000 0.440 64 P HA -0.117 nan 4.420 nan 0.000 0.214 64 P C -0.185 176.990 177.300 -0.207 0.000 1.169 64 P CA 1.916 64.827 63.100 -0.315 0.000 0.908 64 P CB 0.234 31.983 31.700 0.081 0.000 0.791 65 A N -2.431 120.321 122.820 -0.114 0.000 2.454 65 A HA 0.567 4.887 4.320 -0.000 0.000 0.302 65 A C -2.002 175.499 177.584 -0.138 0.000 1.079 65 A CA -1.686 50.318 52.037 -0.056 0.000 0.731 65 A CB 0.726 19.757 19.000 0.051 0.000 1.299 65 A HN -0.135 nan 8.150 nan 0.000 0.413 66 P HA -0.223 nan 4.420 nan 0.000 0.215 66 P C 0.569 177.773 177.300 -0.160 0.000 1.157 66 P CA 1.596 64.578 63.100 -0.196 0.000 0.874 66 P CB -0.161 31.442 31.700 -0.161 0.000 0.790 67 E N -0.397 119.790 120.200 -0.021 0.000 2.412 67 E HA 0.064 4.414 4.350 -0.000 0.000 0.207 67 E C 1.010 177.583 176.600 -0.045 0.000 1.252 67 E CA 0.577 56.984 56.400 0.011 0.000 1.004 67 E CB -0.730 29.021 29.700 0.085 0.000 1.027 67 E HN 0.276 nan 8.360 nan 0.000 0.517 68 A N 0.338 123.061 122.820 -0.161 0.000 2.474 68 A HA 0.194 4.514 4.320 -0.000 0.000 0.221 68 A C 0.733 178.017 177.584 -0.501 0.000 1.298 68 A CA -0.359 51.582 52.037 -0.161 0.000 1.008 68 A CB 0.707 19.735 19.000 0.048 0.000 1.217 68 A HN 0.105 nan 8.150 nan 0.000 0.553 69 V N 2.579 122.075 119.914 -0.697 0.000 2.811 69 V HA 0.243 4.363 4.120 -0.000 0.000 0.302 69 V C -2.323 173.554 176.094 -0.361 0.000 1.063 69 V CA -1.053 60.729 62.300 -0.864 0.000 1.088 69 V CB 0.439 31.812 31.823 -0.749 0.000 0.982 69 V HN 0.306 nan 8.190 nan 0.000 0.485 70 P HA 0.334 nan 4.420 nan 0.000 0.290 70 P C 0.426 177.724 177.300 -0.004 0.000 1.276 70 P CA -0.481 62.589 63.100 -0.051 0.000 0.808 70 P CB 1.265 32.985 31.700 0.032 0.000 0.966 71 E N 1.698 121.880 120.200 -0.031 0.000 2.130 71 E HA -0.221 4.129 4.350 -0.000 0.000 0.196 71 E C 1.817 178.376 176.600 -0.069 0.000 0.998 71 E CA 2.211 58.575 56.400 -0.059 0.000 0.806 71 E CB -0.233 29.435 29.700 -0.054 0.000 0.738 71 E HN 0.526 nan 8.360 nan 0.000 0.459 72 S N -0.174 115.515 115.700 -0.019 0.000 2.387 72 S HA -0.259 4.211 4.470 -0.000 0.000 0.230 72 S C 1.777 176.366 174.600 -0.019 0.000 1.035 72 S CA 1.134 59.325 58.200 -0.015 0.000 1.014 72 S CB -1.012 62.201 63.200 0.021 0.000 0.836 72 S HN 0.593 nan 8.310 nan 0.000 0.466 73 W N 2.625 123.845 121.300 -0.134 0.000 2.292 73 W HA -0.205 4.455 4.660 -0.000 0.000 0.304 73 W C 1.687 178.101 176.519 -0.175 0.000 1.228 73 W CA 1.414 58.670 57.345 -0.149 0.000 1.241 73 W CB -0.856 28.482 29.460 -0.203 0.000 1.142 73 W HN 0.342 nan 8.180 nan 0.000 0.520 74 L N 0.088 120.969 121.223 -0.571 0.000 2.017 74 L HA -0.226 4.114 4.340 -0.000 0.000 0.208 74 L C 2.635 179.222 176.870 -0.472 0.000 1.073 74 L CA 2.047 56.435 54.840 -0.754 0.000 0.745 74 L CB -0.854 40.852 42.059 -0.588 0.000 0.894 74 L HN -0.018 nan 8.230 nan 0.000 0.432 75 E N -1.757 118.280 120.200 -0.271 0.000 2.251 75 E HA 0.076 4.426 4.350 -0.000 0.000 0.194 75 E C 0.239 176.773 176.600 -0.111 0.000 0.964 75 E CA 0.293 56.597 56.400 -0.160 0.000 0.868 75 E CB 0.426 30.065 29.700 -0.101 0.000 0.828 75 E HN 0.327 nan 8.360 nan 0.000 0.481 76 C N 1.975 121.228 119.300 -0.079 0.000 2.498 76 C HA 0.308 4.768 4.460 -0.000 0.000 0.316 76 C C -0.197 174.828 174.990 0.058 0.000 1.209 76 C CA -1.164 57.846 59.018 -0.013 0.000 1.518 76 C CB 1.348 29.088 27.740 0.001 0.000 2.147 76 C HN 0.204 nan 8.230 nan 0.000 0.483 77 D N 2.350 122.793 120.400 0.072 0.000 2.455 77 D HA 0.159 4.799 4.640 -0.000 0.000 0.241 77 D C -0.006 176.370 176.300 0.127 0.000 1.138 77 D CA 0.418 54.498 54.000 0.134 0.000 0.877 77 D CB 0.714 41.575 40.800 0.102 0.000 1.187 77 D HN 0.383 nan 8.370 nan 0.000 0.451 78 L N 4.831 126.145 121.223 0.152 0.000 2.461 78 L HA 0.094 4.434 4.340 -0.000 0.000 0.272 78 L C -0.937 175.972 176.870 0.064 0.000 1.197 78 L CA -1.304 53.595 54.840 0.099 0.000 0.836 78 L CB 0.260 42.371 42.059 0.085 0.000 1.105 78 L HN 0.309 nan 8.230 nan 0.000 0.477 79 P HA -0.128 nan 4.420 nan 0.000 0.215 79 P C 0.144 177.461 177.300 0.028 0.000 1.157 79 P CA 1.078 64.200 63.100 0.035 0.000 0.859 79 P CB 0.074 31.792 31.700 0.029 0.000 0.786 80 E N 0.367 120.580 120.200 0.021 0.000 2.261 80 E HA 0.479 4.829 4.350 -0.000 0.000 0.308 80 E C -0.239 176.364 176.600 0.005 0.000 1.400 80 E CA -0.423 55.981 56.400 0.007 0.000 1.542 80 E CB -0.542 29.151 29.700 -0.011 0.000 1.369 80 E HN 0.112 nan 8.360 nan 0.000 0.493 81 A N 2.163 124.999 122.820 0.027 0.000 2.375 81 A HA 0.368 4.688 4.320 -0.000 0.000 0.291 81 A C -0.830 176.796 177.584 0.069 0.000 1.160 81 A CA -1.060 50.996 52.037 0.033 0.000 0.747 81 A CB 0.635 19.655 19.000 0.034 0.000 1.170 81 A HN 0.267 nan 8.150 nan 0.000 0.458 82 D N 0.737 121.202 120.400 0.108 0.000 2.243 82 D HA 0.291 4.931 4.640 -0.000 0.000 0.237 82 D C 0.270 176.635 176.300 0.109 0.000 1.364 82 D CA 1.100 55.173 54.000 0.121 0.000 0.927 82 D CB 0.310 41.227 40.800 0.195 0.000 1.216 82 D HN 0.338 nan 8.370 nan 0.000 0.517 83 T N 0.311 114.912 114.554 0.079 0.000 3.305 83 T HA 0.309 4.659 4.350 -0.000 0.000 0.348 83 T C -0.250 174.477 174.700 0.046 0.000 1.394 83 T CA -0.519 61.632 62.100 0.085 0.000 1.549 83 T CB 0.213 69.126 68.868 0.076 0.000 0.962 83 T HN 0.051 nan 8.240 nan 0.000 0.609 84 V N 2.005 121.943 119.914 0.039 0.000 3.432 84 V HA 0.233 4.353 4.120 -0.000 0.000 0.304 84 V C 0.561 176.683 176.094 0.046 0.000 1.107 84 V CA -0.317 61.955 62.300 -0.046 0.000 1.153 84 V CB 0.923 32.680 31.823 -0.109 0.000 1.072 84 V HN 0.438 nan 8.190 nan 0.000 0.485 85 V N 2.415 122.342 119.914 0.022 0.000 2.417 85 V HA 0.421 4.541 4.120 -0.000 0.000 0.291 85 V C -0.200 175.891 176.094 -0.005 0.000 1.024 85 V CA -0.480 61.843 62.300 0.039 0.000 0.861 85 V CB 1.606 33.446 31.823 0.029 0.000 0.985 85 V HN 0.530 nan 8.190 nan 0.000 0.436 86 V N 7.819 127.663 119.914 -0.116 0.000 2.459 86 V HA 0.533 4.653 4.120 -0.000 0.000 0.295 86 V C -2.102 173.869 176.094 -0.205 0.000 1.029 86 V CA -1.813 60.306 62.300 -0.302 0.000 0.874 86 V CB 2.711 33.987 31.823 -0.911 0.000 0.985 86 V HN 0.767 nan 8.190 nan 0.000 0.438 87 P HA 0.510 nan 4.420 nan 0.000 0.279 87 P C -0.958 176.284 177.300 -0.096 0.000 1.252 87 P CA -0.198 62.795 63.100 -0.179 0.000 0.811 87 P CB 1.556 33.184 31.700 -0.119 0.000 1.035 88 S N 0.044 115.711 115.700 -0.054 0.000 2.636 88 S HA 0.417 4.887 4.470 -0.000 0.000 0.266 88 S C -1.359 173.228 174.600 -0.022 0.000 1.147 88 S CA -0.929 57.255 58.200 -0.027 0.000 0.815 88 S CB 0.395 63.633 63.200 0.063 0.000 1.119 88 S HN 0.327 nan 8.310 nan 0.000 0.470 89 N N 1.239 119.859 118.700 -0.134 0.000 2.696 89 N HA 0.341 5.081 4.740 -0.000 0.000 0.246 89 N C 0.580 175.957 175.510 -0.221 0.000 1.057 89 N CA -0.733 52.193 53.050 -0.208 0.000 0.867 89 N CB 0.469 38.778 38.487 -0.296 0.000 1.141 89 N HN 0.785 nan 8.380 nan 0.000 0.517 90 W N 2.652 123.890 121.300 -0.103 0.000 2.200 90 W HA -0.397 4.263 4.660 -0.000 0.000 0.328 90 W C 1.063 177.564 176.519 -0.030 0.000 1.343 90 W CA 1.685 58.943 57.345 -0.145 0.000 1.379 90 W CB -0.786 28.500 29.460 -0.290 0.000 1.102 90 W HN 0.409 nan 8.180 nan 0.000 0.501 91 Q N 0.061 119.870 119.800 0.016 0.000 2.077 91 Q HA -0.194 4.146 4.340 -0.000 0.000 0.206 91 Q C 2.045 177.983 176.000 -0.103 0.000 0.989 91 Q CA 2.226 58.027 55.803 -0.004 0.000 0.853 91 Q CB -1.098 27.531 28.738 -0.182 0.000 0.907 91 Q HN 0.309 nan 8.270 nan 0.000 0.418 92 M N 0.262 119.705 119.600 -0.262 0.000 2.800 92 M HA -0.067 4.413 4.480 -0.000 0.000 0.235 92 M C 0.003 176.123 176.300 -0.299 0.000 1.057 92 M CA 1.195 56.298 55.300 -0.328 0.000 1.066 92 M CB -1.178 31.156 32.600 -0.444 0.000 1.558 92 M HN 0.364 nan 8.290 nan 0.000 0.551 93 H N -2.049 117.042 119.070 0.035 0.000 2.865 93 H HA 0.341 4.897 4.556 -0.000 0.000 0.247 93 H C 1.333 176.584 175.328 -0.128 0.000 1.181 93 H CA -0.067 55.991 56.048 0.017 0.000 0.975 93 H CB 0.476 30.349 29.762 0.184 0.000 1.899 93 H HN 0.445 nan 8.280 nan 0.000 0.651 94 G N 0.846 109.659 108.800 0.022 0.000 2.200 94 G HA2 -0.458 3.502 3.960 -0.000 0.000 0.268 94 G HA3 -0.458 3.502 3.960 -0.000 0.000 0.268 94 G C 0.635 175.437 174.900 -0.163 0.000 0.986 94 G CA 1.246 46.304 45.100 -0.070 0.000 0.677 94 G HN 0.511 nan 8.290 nan 0.000 0.532 95 Y N 1.302 121.560 120.300 -0.070 0.000 2.241 95 Y HA 0.119 4.669 4.550 -0.000 0.000 0.286 95 Y C 1.775 177.386 175.900 -0.482 0.000 1.166 95 Y CA 1.697 59.591 58.100 -0.343 0.000 1.203 95 Y CB -0.138 38.069 38.460 -0.423 0.000 0.977 95 Y HN 0.748 nan 8.280 nan 0.000 0.529 96 D N -2.307 118.128 120.400 0.058 0.000 2.643 96 D HA 0.540 5.180 4.640 -0.000 0.000 0.283 96 D C -1.163 175.202 176.300 0.108 0.000 1.242 96 D CA -0.734 53.322 54.000 0.093 0.000 0.863 96 D CB 0.815 41.774 40.800 0.264 0.000 1.382 96 D HN -0.007 nan 8.370 nan 0.000 0.444 97 A N 0.072 122.965 122.820 0.121 0.000 2.327 97 A HA 0.677 4.997 4.320 -0.000 0.000 0.283 97 A C -2.382 175.208 177.584 0.010 0.000 1.127 97 A CA -1.071 51.006 52.037 0.067 0.000 0.810 97 A CB 0.034 19.140 19.000 0.177 0.000 1.066 97 A HN 0.498 nan 8.150 nan 0.000 0.492 98 P HA 0.545 nan 4.420 nan 0.000 0.279 98 P C -0.992 176.432 177.300 0.208 0.000 1.252 98 P CA -0.181 62.822 63.100 -0.162 0.000 0.811 98 P CB 0.744 32.070 31.700 -0.624 0.000 1.035 99 I N 1.182 122.024 120.570 0.453 0.000 2.509 99 I HA 0.256 4.426 4.170 -0.000 0.000 0.293 99 I C -0.533 175.779 176.117 0.325 0.000 1.020 99 I CA -0.555 61.011 61.300 0.444 0.000 1.088 99 I CB 1.417 39.581 38.000 0.274 0.000 1.267 99 I HN 0.255 nan 8.210 nan 0.000 0.430 100 Y N 5.641 125.943 120.300 0.004 0.000 2.958 100 Y HA 0.521 5.071 4.550 -0.000 0.000 0.336 100 Y C -0.358 175.410 175.900 -0.220 0.000 1.160 100 Y CA -0.246 57.586 58.100 -0.448 0.000 1.292 100 Y CB 0.232 37.780 38.460 -1.519 0.000 1.306 100 Y HN 0.628 nan 8.280 nan 0.000 0.547 101 T N 2.330 116.261 114.554 -1.038 0.000 2.924 101 T HA 0.227 4.577 4.350 -0.000 0.000 0.291 101 T C 0.537 174.676 174.700 -0.935 0.000 1.045 101 T CA -0.902 60.699 62.100 -0.831 0.000 1.015 101 T CB 2.131 70.756 68.868 -0.404 0.000 1.103 101 T HN 0.626 nan 8.240 nan 0.000 0.496 102 N N 0.344 118.644 118.700 -0.668 0.000 2.765 102 N HA 0.022 4.762 4.740 -0.000 0.000 0.230 102 N C 1.028 176.248 175.510 -0.484 0.000 1.022 102 N CA 0.382 53.144 53.050 -0.481 0.000 1.106 102 N CB 0.265 38.502 38.487 -0.417 0.000 1.527 102 N HN 0.295 nan 8.380 nan 0.000 0.507 103 V N 1.771 121.340 119.914 -0.574 0.000 2.523 103 V HA 0.036 4.156 4.120 -0.000 0.000 0.226 103 V C 0.467 176.222 176.094 -0.566 0.000 1.107 103 V CA 1.067 62.933 62.300 -0.724 0.000 1.121 103 V CB -0.726 30.627 31.823 -0.784 0.000 0.753 103 V HN 0.489 nan 8.190 nan 0.000 0.497 104 T N 0.889 115.191 114.554 -0.420 0.000 2.828 104 T HA -0.134 4.216 4.350 -0.000 0.000 0.282 104 T C -0.567 173.959 174.700 -0.291 0.000 1.031 104 T CA 0.460 62.384 62.100 -0.294 0.000 1.136 104 T CB -0.549 68.202 68.868 -0.194 0.000 1.057 104 T HN 0.211 nan 8.240 nan 0.000 0.499 105 Y N 3.991 124.195 120.300 -0.160 0.000 2.442 105 Y HA 0.222 4.772 4.550 -0.000 0.000 0.330 105 Y C -0.905 174.879 175.900 -0.194 0.000 1.129 105 Y CA -2.108 55.883 58.100 -0.182 0.000 1.365 105 Y CB 0.388 38.714 38.460 -0.224 0.000 1.233 105 Y HN 0.502 nan 8.280 nan 0.000 0.529 106 P HA -0.129 nan 4.420 nan 0.000 0.226 106 P C -0.052 177.096 177.300 -0.252 0.000 1.146 106 P CA 1.424 64.462 63.100 -0.102 0.000 0.773 106 P CB 0.075 31.761 31.700 -0.023 0.000 0.772 107 I N -5.745 114.644 120.570 -0.301 0.000 3.206 107 I HA 0.466 4.636 4.170 -0.000 0.000 0.313 107 I C -0.347 175.641 176.117 -0.214 0.000 1.103 107 I CA -1.188 59.868 61.300 -0.406 0.000 0.985 107 I CB 1.459 39.042 38.000 -0.696 0.000 1.240 107 I HN -0.445 nan 8.210 nan 0.000 0.464 108 T N 1.390 115.848 114.554 -0.160 0.000 2.802 108 T HA 0.190 4.540 4.350 -0.000 0.000 0.305 108 T C 0.157 174.819 174.700 -0.063 0.000 1.053 108 T CA -0.258 61.803 62.100 -0.064 0.000 1.058 108 T CB 1.283 70.145 68.868 -0.010 0.000 0.988 108 T HN 0.387 nan 8.240 nan 0.000 0.539 109 V N 3.378 123.294 119.914 0.003 0.000 2.221 109 V HA 0.260 4.380 4.120 -0.000 0.000 0.258 109 V C 0.358 176.522 176.094 0.115 0.000 1.179 109 V CA -0.204 62.123 62.300 0.045 0.000 1.022 109 V CB -0.366 31.489 31.823 0.054 0.000 1.228 109 V HN 0.767 nan 8.190 nan 0.000 0.487 110 N N 5.042 123.866 118.700 0.207 0.000 2.703 110 N HA 0.323 5.063 4.740 -0.000 0.000 0.283 110 N C -2.926 172.606 175.510 0.037 0.000 1.851 110 N CA -1.525 51.619 53.050 0.158 0.000 0.826 110 N CB 1.575 40.195 38.487 0.223 0.000 1.239 110 N HN 0.227 nan 8.380 nan 0.000 0.495 111 P HA 0.172 nan 4.420 nan 0.000 0.268 111 P C -2.222 174.671 177.300 -0.678 0.000 1.204 111 P CA -0.844 61.825 63.100 -0.717 0.000 0.768 111 P CB 0.630 31.589 31.700 -1.236 0.000 0.842 112 P HA 0.177 nan 4.420 nan 0.000 0.266 112 P C -0.424 176.737 177.300 -0.232 0.000 1.381 112 P CA -0.318 62.483 63.100 -0.499 0.000 0.940 112 P CB -0.020 31.520 31.700 -0.267 0.000 1.435 113 F N 0.254 120.271 119.950 0.113 0.000 2.557 113 F HA 0.035 4.562 4.527 -0.000 0.000 0.384 113 F C 1.483 177.423 175.800 0.234 0.000 1.057 113 F CA -0.276 57.810 58.000 0.142 0.000 1.169 113 F CB -0.472 38.574 39.000 0.077 0.000 1.070 113 F HN -0.198 nan 8.300 nan 0.000 0.554 114 V N 5.077 125.251 119.914 0.433 0.000 3.610 114 V HA 0.440 4.560 4.120 -0.000 0.000 0.285 114 V C -1.835 174.422 176.094 0.272 0.000 1.012 114 V CA -1.593 60.923 62.300 0.359 0.000 0.975 114 V CB 1.551 33.691 31.823 0.527 0.000 1.247 114 V HN 0.580 nan 8.190 nan 0.000 0.424 115 P HA 0.298 nan 4.420 nan 0.000 0.298 115 P C 0.281 177.737 177.300 0.259 0.000 1.314 115 P CA -0.273 62.916 63.100 0.149 0.000 0.854 115 P CB 1.221 32.919 31.700 -0.004 0.000 1.019 116 T N -0.437 114.240 114.554 0.205 0.000 2.822 116 T HA -0.180 4.170 4.350 -0.000 0.000 0.270 116 T C 0.422 175.251 174.700 0.215 0.000 1.064 116 T CA 1.326 63.550 62.100 0.206 0.000 1.131 116 T CB -0.679 68.272 68.868 0.138 0.000 0.858 116 T HN 0.385 nan 8.240 nan 0.000 0.483 117 E N 2.490 122.818 120.200 0.214 0.000 1.964 117 E HA 0.363 4.713 4.350 -0.000 0.000 0.264 117 E C -0.480 176.337 176.600 0.361 0.000 1.120 117 E CA -0.301 56.241 56.400 0.236 0.000 1.061 117 E CB -0.040 29.781 29.700 0.201 0.000 1.190 117 E HN 0.276 nan 8.360 nan 0.000 0.459 118 N N 2.433 121.337 118.700 0.339 0.000 2.531 118 N HA 0.274 5.014 4.740 -0.000 0.000 0.268 118 N C -2.804 172.768 175.510 0.103 0.000 1.023 118 N CA -2.760 50.535 53.050 0.409 0.000 0.896 118 N CB 1.214 40.015 38.487 0.523 0.000 1.233 118 N HN -0.088 nan 8.380 nan 0.000 0.512 119 P HA 0.022 nan 4.420 nan 0.000 0.252 119 P C -0.712 176.487 177.300 -0.168 0.000 1.183 119 P CA 0.507 63.583 63.100 -0.040 0.000 0.973 119 P CB -0.216 31.753 31.700 0.448 0.000 0.990 120 T N 2.474 116.721 114.554 -0.512 0.000 2.806 120 T HA 0.481 4.831 4.350 -0.000 0.000 0.290 120 T C 0.912 175.164 174.700 -0.746 0.000 0.966 120 T CA -0.393 61.435 62.100 -0.453 0.000 1.060 120 T CB 1.183 69.799 68.868 -0.420 0.000 0.927 120 T HN 0.258 nan 8.240 nan 0.000 0.485 121 G N 1.221 109.731 108.800 -0.483 0.000 3.205 121 G HA2 0.393 4.353 3.960 -0.000 0.000 0.343 121 G HA3 0.393 4.353 3.960 -0.000 0.000 0.343 121 G C 0.153 174.888 174.900 -0.275 0.000 1.305 121 G CA -0.629 44.144 45.100 -0.545 0.000 1.120 121 G HN 0.947 nan 8.290 nan 0.000 0.472 122 C N 3.422 122.258 119.300 -0.773 0.000 2.612 122 C HA 0.222 4.681 4.460 -0.000 0.000 0.403 122 C C 0.526 175.228 174.990 -0.480 0.000 1.056 122 C CA -1.373 57.115 59.018 -0.884 0.000 1.256 122 C CB -2.548 24.169 27.740 -1.705 0.000 1.741 122 C HN 0.556 nan 8.230 nan 0.000 0.542 123 Y N 1.490 121.806 120.300 0.026 0.000 2.220 123 Y HA 0.485 5.035 4.550 -0.000 0.000 0.347 123 Y C 1.034 177.280 175.900 0.576 0.000 1.311 123 Y CA 0.333 58.669 58.100 0.394 0.000 1.593 123 Y CB 0.329 39.122 38.460 0.555 0.000 1.419 123 Y HN 0.623 nan 8.280 nan 0.000 0.614 124 S N 0.405 116.568 115.700 0.771 0.000 2.675 124 S HA 0.497 4.967 4.470 -0.000 0.000 0.297 124 S C -2.449 172.236 174.600 0.141 0.000 1.035 124 S CA -0.840 57.647 58.200 0.478 0.000 0.852 124 S CB 0.580 64.093 63.200 0.522 0.000 1.051 124 S HN 0.814 nan 8.310 nan 0.000 0.451 125 L N 2.581 123.746 121.223 -0.095 0.000 2.588 125 L HA 0.725 5.065 4.340 -0.000 0.000 0.263 125 L C -0.692 176.174 176.870 -0.007 0.000 0.935 125 L CA 0.217 54.867 54.840 -0.316 0.000 0.891 125 L CB 1.938 43.291 42.059 -1.176 0.000 1.318 125 L HN 0.777 nan 8.230 nan 0.000 0.409 126 T N 5.614 120.188 114.554 0.034 0.000 2.806 126 T HA 0.794 5.144 4.350 -0.000 0.000 0.290 126 T C -0.918 173.911 174.700 0.216 0.000 0.966 126 T CA 0.254 62.411 62.100 0.094 0.000 1.060 126 T CB 0.210 69.082 68.868 0.007 0.000 0.927 126 T HN 0.526 nan 8.240 nan 0.000 0.485 127 F N 0.916 120.794 119.950 -0.121 0.000 2.741 127 F HA 0.597 5.124 4.527 -0.000 0.000 0.311 127 F C -1.339 174.404 175.800 -0.096 0.000 1.149 127 F CA -1.607 56.324 58.000 -0.116 0.000 0.930 127 F CB 1.031 39.946 39.000 -0.141 0.000 1.312 127 F HN 0.288 nan 8.300 nan 0.000 0.450 128 N N 0.867 119.523 118.700 -0.073 0.000 2.444 128 N HA 0.646 5.386 4.740 -0.000 0.000 0.262 128 N C -1.172 174.270 175.510 -0.112 0.000 0.974 128 N CA -0.495 52.463 53.050 -0.152 0.000 0.933 128 N CB 1.864 40.292 38.487 -0.099 0.000 1.137 128 N HN 0.615 nan 8.380 nan 0.000 0.498 129 V N 1.302 121.116 119.914 -0.166 0.000 2.904 129 V HA 0.206 4.326 4.120 -0.000 0.000 0.305 129 V C 0.162 176.144 176.094 -0.187 0.000 1.067 129 V CA -0.503 61.705 62.300 -0.153 0.000 1.044 129 V CB 1.480 33.262 31.823 -0.068 0.000 1.050 129 V HN 0.604 nan 8.190 nan 0.000 0.475 130 D N 1.707 121.932 120.400 -0.292 0.000 2.359 130 D HA 0.165 4.805 4.640 -0.000 0.000 0.230 130 D C 1.281 177.531 176.300 -0.083 0.000 1.118 130 D CA -0.254 53.608 54.000 -0.230 0.000 0.844 130 D CB 1.211 41.814 40.800 -0.328 0.000 1.059 130 D HN 0.783 nan 8.370 nan 0.000 0.493 131 E N 2.172 122.347 120.200 -0.041 0.000 2.170 131 E HA -0.390 3.960 4.350 -0.000 0.000 0.229 131 E C 1.540 178.172 176.600 0.053 0.000 1.074 131 E CA 2.150 58.554 56.400 0.007 0.000 0.930 131 E CB -0.758 28.945 29.700 0.004 0.000 0.806 131 E HN 0.505 nan 8.360 nan 0.000 0.478 132 S N 1.276 117.015 115.700 0.065 0.000 2.426 132 S HA -0.305 4.165 4.470 -0.000 0.000 0.259 132 S C 1.639 176.346 174.600 0.178 0.000 1.096 132 S CA 1.781 60.059 58.200 0.131 0.000 1.219 132 S CB -1.446 61.856 63.200 0.171 0.000 1.124 132 S HN 0.461 nan 8.310 nan 0.000 0.436 133 W N 2.067 123.238 121.300 -0.216 0.000 2.290 133 W HA -0.056 4.604 4.660 -0.000 0.000 0.311 133 W C 2.400 178.763 176.519 -0.259 0.000 1.238 133 W CA 0.677 57.686 57.345 -0.560 0.000 1.255 133 W CB -1.229 27.867 29.460 -0.607 0.000 1.145 133 W HN 0.304 nan 8.180 nan 0.000 0.506 134 L N -0.581 120.713 121.223 0.119 0.000 2.275 134 L HA -0.193 4.147 4.340 -0.000 0.000 0.215 134 L C 2.244 179.171 176.870 0.095 0.000 1.119 134 L CA 1.096 55.998 54.840 0.103 0.000 0.790 134 L CB -0.770 41.332 42.059 0.071 0.000 0.919 134 L HN 0.039 nan 8.230 nan 0.000 0.443 135 Q N -0.612 119.246 119.800 0.097 0.000 2.245 135 Q HA -0.014 4.326 4.340 -0.000 0.000 0.201 135 Q C 0.716 176.768 176.000 0.088 0.000 0.955 135 Q CA 0.775 56.626 55.803 0.081 0.000 0.870 135 Q CB 0.389 29.170 28.738 0.072 0.000 0.945 135 Q HN 0.554 nan 8.270 nan 0.000 0.461 136 E N -1.089 119.191 120.200 0.133 0.000 2.698 136 E HA 0.377 4.727 4.350 -0.000 0.000 0.185 136 E C 0.637 177.308 176.600 0.118 0.000 0.702 136 E CA -0.432 56.035 56.400 0.112 0.000 1.104 136 E CB -0.405 29.359 29.700 0.106 0.000 1.831 136 E HN 0.144 nan 8.360 nan 0.000 0.370 137 G N 1.043 109.842 108.800 -0.002 0.000 2.551 137 G HA2 -0.266 3.694 3.960 -0.000 0.000 1.026 137 G HA3 -0.266 3.694 3.960 -0.000 0.000 1.026 137 G C 0.044 174.865 174.900 -0.133 0.000 1.166 137 G CA 0.560 45.547 45.100 -0.187 0.000 1.220 137 G HN 0.360 nan 8.290 nan 0.000 0.884 138 Q N -0.869 118.739 119.800 -0.320 0.000 2.340 138 Q HA 0.440 4.780 4.340 -0.000 0.000 0.268 138 Q C -1.387 174.571 176.000 -0.071 0.000 1.031 138 Q CA -0.482 55.251 55.803 -0.118 0.000 0.804 138 Q CB 1.635 30.335 28.738 -0.064 0.000 1.286 138 Q HN 0.345 nan 8.270 nan 0.000 0.448 139 T N 5.346 120.007 114.554 0.177 0.000 2.801 139 T HA 0.422 4.772 4.350 -0.000 0.000 0.306 139 T C -0.423 174.400 174.700 0.206 0.000 1.020 139 T CA -0.605 61.635 62.100 0.232 0.000 0.948 139 T CB 0.194 69.282 68.868 0.367 0.000 0.962 139 T HN 0.588 nan 8.240 nan 0.000 0.465 140 R N 2.598 123.194 120.500 0.160 0.000 2.604 140 R HA 0.773 5.113 4.340 -0.000 0.000 0.287 140 R C -0.873 175.551 176.300 0.206 0.000 0.970 140 R CA -0.916 55.295 56.100 0.186 0.000 0.946 140 R CB 1.114 31.503 30.300 0.148 0.000 1.127 140 R HN 0.420 nan 8.270 nan 0.000 0.473 141 I N 2.814 123.535 120.570 0.251 0.000 2.385 141 I HA 0.343 4.513 4.170 -0.000 0.000 0.294 141 I C -1.027 175.254 176.117 0.273 0.000 0.988 141 I CA -0.894 60.546 61.300 0.233 0.000 1.265 141 I CB 1.214 39.409 38.000 0.326 0.000 1.388 141 I HN 0.617 nan 8.210 nan 0.000 0.480 142 I N 7.570 128.193 120.570 0.089 0.000 2.439 142 I HA 0.258 4.428 4.170 -0.000 0.000 0.285 142 I C -1.092 174.990 176.117 -0.059 0.000 1.021 142 I CA -0.078 61.291 61.300 0.114 0.000 1.091 142 I CB 1.158 39.201 38.000 0.071 0.000 1.242 142 I HN 0.306 nan 8.210 nan 0.000 0.439 143 F N 4.649 124.642 119.950 0.072 0.000 2.395 143 F HA 0.257 4.784 4.527 -0.000 0.000 0.347 143 F C 1.480 177.217 175.800 -0.105 0.000 1.157 143 F CA -0.477 57.505 58.000 -0.031 0.000 1.272 143 F CB 0.065 39.046 39.000 -0.031 0.000 1.607 143 F HN 0.503 nan 8.300 nan 0.000 0.571 144 D N 1.755 122.133 120.400 -0.037 0.000 2.311 144 D HA -0.142 4.498 4.640 -0.000 0.000 0.204 144 D C 1.082 177.298 176.300 -0.140 0.000 1.000 144 D CA 1.465 55.414 54.000 -0.085 0.000 0.910 144 D CB 0.298 41.024 40.800 -0.123 0.000 0.900 144 D HN 0.602 nan 8.370 nan 0.000 0.463 145 G N -1.475 107.158 108.800 -0.277 0.000 2.716 145 G HA2 0.435 4.395 3.960 -0.000 0.000 0.299 145 G HA3 0.435 4.395 3.960 -0.000 0.000 0.299 145 G C -1.737 172.695 174.900 -0.780 0.000 1.450 145 G CA -0.489 44.243 45.100 -0.614 0.000 0.968 145 G HN 0.001 nan 8.290 nan 0.000 0.566 146 V N 2.098 121.632 119.914 -0.634 0.000 2.817 146 V HA 0.647 4.767 4.120 -0.000 0.000 0.303 146 V C -1.273 174.674 176.094 -0.245 0.000 1.151 146 V CA -1.034 60.948 62.300 -0.529 0.000 0.929 146 V CB 2.315 33.736 31.823 -0.669 0.000 1.030 146 V HN 0.815 nan 8.190 nan 0.000 0.427 147 N N 1.996 120.603 118.700 -0.156 0.000 2.410 147 N HA 0.414 5.154 4.740 -0.000 0.000 0.287 147 N C 0.403 175.834 175.510 -0.132 0.000 1.044 147 N CA 0.338 53.377 53.050 -0.018 0.000 0.881 147 N CB 2.498 41.112 38.487 0.211 0.000 1.405 147 N HN 0.652 nan 8.380 nan 0.000 0.490 148 S N 3.312 118.955 115.700 -0.095 0.000 2.297 148 S HA 0.428 4.898 4.470 -0.000 0.000 0.200 148 S C 0.866 175.498 174.600 0.053 0.000 1.011 148 S CA 0.690 58.887 58.200 -0.005 0.000 0.938 148 S CB -0.565 62.648 63.200 0.022 0.000 0.924 148 S HN 0.623 nan 8.310 nan 0.000 0.504 149 A N 0.759 123.623 122.820 0.073 0.000 2.239 149 A HA 0.754 5.074 4.320 -0.000 0.000 0.303 149 A C -0.417 177.253 177.584 0.143 0.000 1.114 149 A CA -0.438 51.624 52.037 0.041 0.000 0.871 149 A CB -0.006 19.061 19.000 0.112 0.000 1.201 149 A HN 1.544 nan 8.150 nan 0.000 0.506 150 F N -2.272 117.453 119.950 -0.376 0.000 2.780 150 F HA 0.402 4.929 4.527 -0.000 0.000 0.320 150 F C -1.648 174.061 175.800 -0.151 0.000 1.118 150 F CA -0.899 56.977 58.000 -0.207 0.000 0.964 150 F CB 0.390 39.293 39.000 -0.161 0.000 1.249 150 F HN 0.597 nan 8.300 nan 0.000 0.455 151 H N 3.398 122.619 119.070 0.253 0.000 2.467 151 H HA 0.717 5.273 4.556 -0.000 0.000 0.326 151 H C -1.063 174.274 175.328 0.016 0.000 1.094 151 H CA -0.558 55.571 56.048 0.136 0.000 1.253 151 H CB 2.154 32.082 29.762 0.277 0.000 1.439 151 H HN 0.788 nan 8.280 nan 0.000 0.479 152 L N 3.349 124.355 121.223 -0.362 0.000 2.330 152 L HA 0.464 4.804 4.340 -0.000 0.000 0.271 152 L C -1.375 175.117 176.870 -0.630 0.000 1.013 152 L CA -0.661 53.958 54.840 -0.368 0.000 0.816 152 L CB 1.349 42.986 42.059 -0.703 0.000 1.287 152 L HN 0.530 nan 8.230 nan 0.000 0.435 153 W N 3.825 124.928 121.300 -0.329 0.000 3.022 153 W HA 0.537 5.197 4.660 -0.000 0.000 0.335 153 W C -1.403 174.934 176.519 -0.302 0.000 1.133 153 W CA -0.700 56.451 57.345 -0.322 0.000 1.219 153 W CB 2.056 31.376 29.460 -0.234 0.000 1.409 153 W HN 0.618 nan 8.180 nan 0.000 0.507 154 C N 5.170 124.408 119.300 -0.103 0.000 2.446 154 C HA 0.305 4.765 4.460 -0.000 0.000 0.329 154 C C 0.200 175.223 174.990 0.054 0.000 1.166 154 C CA -0.374 58.591 59.018 -0.088 0.000 1.341 154 C CB -0.314 27.284 27.740 -0.238 0.000 1.970 154 C HN 0.795 nan 8.230 nan 0.000 0.452 155 N N 3.624 122.351 118.700 0.045 0.000 2.710 155 N HA -0.191 4.549 4.740 -0.000 0.000 0.249 155 N C 0.993 176.534 175.510 0.052 0.000 1.059 155 N CA 2.192 55.262 53.050 0.035 0.000 0.720 155 N CB -1.255 37.261 38.487 0.048 0.000 0.983 155 N HN 1.821 nan 8.380 nan 0.000 0.544 156 G N -1.322 107.494 108.800 0.027 0.000 2.258 156 G HA2 -0.339 3.621 3.960 -0.000 0.000 0.233 156 G HA3 -0.339 3.621 3.960 -0.000 0.000 0.233 156 G C 0.093 175.121 174.900 0.213 0.000 1.006 156 G CA 0.273 45.389 45.100 0.028 0.000 0.620 156 G HN 0.502 nan 8.290 nan 0.000 0.511 157 R N -0.284 120.390 120.500 0.290 0.000 2.207 157 R HA 0.374 4.714 4.340 -0.000 0.000 0.334 157 R C -0.012 176.487 176.300 0.331 0.000 1.013 157 R CA -0.830 55.525 56.100 0.425 0.000 0.858 157 R CB 0.716 31.356 30.300 0.567 0.000 1.094 157 R HN 0.294 nan 8.270 nan 0.000 0.457 158 W N 4.438 125.836 121.300 0.163 0.000 2.443 158 W HA -0.076 4.584 4.660 -0.000 0.000 0.335 158 W C 0.122 176.421 176.519 -0.366 0.000 1.382 158 W CA 0.296 57.325 57.345 -0.527 0.000 1.305 158 W CB 0.556 29.641 29.460 -0.625 0.000 1.283 158 W HN 0.372 nan 8.180 nan 0.000 0.567 159 V N 5.994 125.066 119.914 -1.403 0.000 2.922 159 V HA 0.458 4.578 4.120 -0.000 0.000 0.242 159 V C 1.196 176.241 176.094 -1.748 0.000 1.094 159 V CA 1.134 62.612 62.300 -1.370 0.000 1.106 159 V CB -0.337 30.699 31.823 -1.312 0.000 0.799 159 V HN 0.874 nan 8.190 nan 0.000 0.474 160 G N -1.725 105.586 108.800 -2.482 0.000 2.393 160 G HA2 0.435 4.395 3.960 -0.000 0.000 0.264 160 G HA3 0.435 4.395 3.960 -0.000 0.000 0.264 160 G C -2.183 172.379 174.900 -0.563 0.000 1.221 160 G CA -0.005 44.114 45.100 -1.636 0.000 0.912 160 G HN -0.001 nan 8.290 nan 0.000 0.483 161 Y N -0.783 119.395 120.300 -0.204 0.000 2.689 161 Y HA 0.646 5.196 4.550 -0.000 0.000 0.333 161 Y C -0.302 175.470 175.900 -0.213 0.000 1.208 161 Y CA 0.113 58.067 58.100 -0.244 0.000 1.055 161 Y CB 1.904 40.411 38.460 0.079 0.000 1.304 161 Y HN 1.578 nan 8.280 nan 0.000 0.455 162 G N 2.511 110.639 108.800 -1.121 0.000 2.655 162 G HA2 0.536 4.496 3.960 -0.000 0.000 0.296 162 G HA3 0.536 4.496 3.960 -0.000 0.000 0.296 162 G C -2.495 171.980 174.900 -0.708 0.000 1.485 162 G CA -0.956 43.708 45.100 -0.727 0.000 0.869 162 G HN 0.556 nan 8.290 nan 0.000 0.540 163 Q N 0.608 120.245 119.800 -0.272 0.000 2.359 163 Q HA 0.626 4.966 4.340 -0.000 0.000 0.274 163 Q C -1.682 174.327 176.000 0.014 0.000 1.074 163 Q CA -0.891 54.858 55.803 -0.091 0.000 0.810 163 Q CB 3.223 31.953 28.738 -0.014 0.000 1.342 163 Q HN 0.621 nan 8.270 nan 0.000 0.427 164 D N 0.891 121.327 120.400 0.060 0.000 3.292 164 D HA -0.066 4.574 4.640 -0.000 0.000 0.130 164 D C -0.310 176.041 176.300 0.086 0.000 0.858 164 D CA 0.106 54.154 54.000 0.080 0.000 1.785 164 D CB -0.163 40.678 40.800 0.069 0.000 0.577 164 D HN 0.551 nan 8.370 nan 0.000 0.794 165 S N 1.440 117.201 115.700 0.102 0.000 2.493 165 S HA -0.137 4.333 4.470 -0.000 0.000 0.243 165 S C 1.679 176.386 174.600 0.178 0.000 0.991 165 S CA 0.669 58.943 58.200 0.122 0.000 0.957 165 S CB 0.375 63.652 63.200 0.128 0.000 0.756 165 S HN 0.389 nan 8.310 nan 0.000 0.521 166 R N -0.208 120.384 120.500 0.153 0.000 2.344 166 R HA 0.464 4.804 4.340 -0.000 0.000 0.209 166 R C -0.019 176.385 176.300 0.174 0.000 0.886 166 R CA 0.064 56.287 56.100 0.205 0.000 1.040 166 R CB -0.289 30.163 30.300 0.253 0.000 1.114 166 R HN 0.327 nan 8.270 nan 0.000 0.547 167 L N 1.534 122.825 121.223 0.112 0.000 2.342 167 L HA 0.486 4.826 4.340 -0.000 0.000 0.271 167 L C -2.244 174.650 176.870 0.040 0.000 1.008 167 L CA -2.296 52.590 54.840 0.076 0.000 0.818 167 L CB 1.869 43.964 42.059 0.060 0.000 1.296 167 L HN -0.158 nan 8.230 nan 0.000 0.427 168 P HA 0.043 nan 4.420 nan 0.000 0.267 168 P C -0.974 176.355 177.300 0.049 0.000 1.201 168 P CA -0.098 63.016 63.100 0.023 0.000 0.775 168 P CB 0.562 32.248 31.700 -0.024 0.000 0.854 169 S N 0.871 116.653 115.700 0.136 0.000 2.561 169 S HA 0.319 4.789 4.470 -0.000 0.000 0.303 169 S C -0.645 174.065 174.600 0.182 0.000 1.110 169 S CA -0.616 57.669 58.200 0.141 0.000 1.034 169 S CB 0.950 64.338 63.200 0.313 0.000 1.010 169 S HN 0.341 nan 8.310 nan 0.000 0.482 170 E N 1.804 121.928 120.200 -0.126 0.000 2.207 170 E HA 0.677 5.027 4.350 -0.000 0.000 0.270 170 E C -1.451 174.866 176.600 -0.472 0.000 0.927 170 E CA -0.590 55.766 56.400 -0.073 0.000 0.799 170 E CB 1.620 31.357 29.700 0.062 0.000 1.172 170 E HN 0.429 nan 8.360 nan 0.000 0.404 171 F N 0.281 120.316 119.950 0.141 0.000 2.641 171 F HA 0.162 4.689 4.527 -0.000 0.000 0.308 171 F C -0.488 175.378 175.800 0.111 0.000 1.105 171 F CA -1.091 56.965 58.000 0.092 0.000 0.964 171 F CB 1.548 40.564 39.000 0.027 0.000 1.294 171 F HN 0.239 nan 8.300 nan 0.000 0.442 172 D N 2.572 123.152 120.400 0.300 0.000 2.347 172 D HA 0.311 4.951 4.640 -0.000 0.000 0.235 172 D C 0.375 176.850 176.300 0.292 0.000 1.149 172 D CA 0.202 54.347 54.000 0.242 0.000 0.850 172 D CB 1.146 42.059 40.800 0.189 0.000 1.061 172 D HN 0.588 nan 8.370 nan 0.000 0.487 173 L N 2.535 123.923 121.223 0.276 0.000 2.529 173 L HA -0.012 4.328 4.340 -0.000 0.000 0.223 173 L C 2.232 179.310 176.870 0.346 0.000 1.113 173 L CA -0.069 54.959 54.840 0.314 0.000 0.861 173 L CB 0.010 42.234 42.059 0.275 0.000 1.012 173 L HN 0.318 nan 8.230 nan 0.000 0.461 174 S N 0.778 116.639 115.700 0.268 0.000 2.381 174 S HA -0.323 4.147 4.470 -0.000 0.000 0.230 174 S C 2.159 176.859 174.600 0.167 0.000 1.052 174 S CA 1.882 60.205 58.200 0.204 0.000 1.068 174 S CB -0.166 63.126 63.200 0.153 0.000 0.918 174 S HN 0.569 nan 8.310 nan 0.000 0.448 175 A N 0.022 122.937 122.820 0.159 0.000 2.019 175 A HA 0.009 4.329 4.320 -0.000 0.000 0.219 175 A C 1.574 179.066 177.584 -0.154 0.000 1.164 175 A CA 1.365 53.361 52.037 -0.069 0.000 0.644 175 A CB -0.539 18.285 19.000 -0.293 0.000 0.805 175 A HN 0.561 nan 8.150 nan 0.000 0.449 176 F N -0.426 119.560 119.950 0.060 0.000 2.731 176 F HA 0.345 4.872 4.527 -0.000 0.000 0.298 176 F C 0.547 176.369 175.800 0.038 0.000 1.106 176 F CA -0.866 57.162 58.000 0.047 0.000 1.329 176 F CB -0.529 38.498 39.000 0.045 0.000 1.100 176 F HN -0.084 nan 8.300 nan 0.000 0.592 177 L N 2.341 123.716 121.223 0.253 0.000 2.455 177 L HA 0.226 4.566 4.340 -0.000 0.000 0.272 177 L C 0.675 177.587 176.870 0.070 0.000 1.174 177 L CA 0.180 55.108 54.840 0.147 0.000 0.869 177 L CB 0.267 42.431 42.059 0.174 0.000 1.130 177 L HN 0.084 nan 8.230 nan 0.000 0.474 178 R N 1.707 122.210 120.500 0.005 0.000 2.691 178 R HA 0.702 5.042 4.340 -0.000 0.000 0.259 178 R C -0.431 175.838 176.300 -0.051 0.000 1.048 178 R CA -0.852 55.232 56.100 -0.027 0.000 1.086 178 R CB 1.745 32.008 30.300 -0.061 0.000 1.166 178 R HN 0.731 nan 8.270 nan 0.000 0.526 179 A N 0.578 123.370 122.820 -0.047 0.000 2.328 179 A HA 0.578 4.898 4.320 -0.000 0.000 0.284 179 A C 0.553 178.084 177.584 -0.088 0.000 1.160 179 A CA 0.582 52.584 52.037 -0.057 0.000 0.818 179 A CB 0.386 19.364 19.000 -0.036 0.000 1.087 179 A HN 0.857 nan 8.150 nan 0.000 0.504 180 G N 1.170 109.901 108.800 -0.114 0.000 2.481 180 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.230 180 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.230 180 G C 0.018 174.792 174.900 -0.210 0.000 1.210 180 G CA -0.003 45.017 45.100 -0.134 0.000 0.936 180 G HN 0.959 nan 8.290 nan 0.000 0.583 181 E N 1.996 122.086 120.200 -0.183 0.000 2.603 181 E HA 0.053 4.403 4.350 -0.000 0.000 0.242 181 E C -0.230 176.183 176.600 -0.312 0.000 1.083 181 E CA 0.307 56.574 56.400 -0.222 0.000 0.950 181 E CB -0.253 29.365 29.700 -0.135 0.000 0.952 181 E HN 0.343 nan 8.360 nan 0.000 0.498 182 N N 3.328 121.683 118.700 -0.575 0.000 2.321 182 N HA 0.257 4.997 4.740 -0.000 0.000 0.299 182 N C -0.678 174.473 175.510 -0.599 0.000 1.048 182 N CA -0.450 52.167 53.050 -0.722 0.000 0.836 182 N CB 1.834 39.628 38.487 -1.155 0.000 1.269 182 N HN 0.328 nan 8.380 nan 0.000 0.486 183 R N 3.379 123.749 120.500 -0.216 0.000 2.422 183 R HA 0.365 4.705 4.340 -0.000 0.000 0.307 183 R C -0.683 175.672 176.300 0.093 0.000 1.004 183 R CA -0.461 55.633 56.100 -0.009 0.000 0.882 183 R CB 0.541 30.814 30.300 -0.045 0.000 1.164 183 R HN 0.520 nan 8.270 nan 0.000 0.489 184 L N 2.390 123.762 121.223 0.249 0.000 2.472 184 L HA 0.427 4.767 4.340 -0.000 0.000 0.260 184 L C 0.428 177.354 176.870 0.093 0.000 1.209 184 L CA -0.216 54.723 54.840 0.166 0.000 0.817 184 L CB 1.047 43.178 42.059 0.120 0.000 1.106 184 L HN 0.738 nan 8.230 nan 0.000 0.479 185 A N 1.669 124.554 122.820 0.108 0.000 3.005 185 A HA 0.510 4.830 4.320 -0.000 0.000 0.308 185 A C -0.799 176.978 177.584 0.322 0.000 1.173 185 A CA -0.488 51.584 52.037 0.059 0.000 0.796 185 A CB 0.296 18.930 19.000 -0.609 0.000 1.325 185 A HN 0.303 nan 8.150 nan 0.000 0.467 186 V N 1.957 122.251 119.914 0.634 0.000 2.637 186 V HA 0.340 4.460 4.120 -0.000 0.000 0.296 186 V C 0.690 177.281 176.094 0.829 0.000 1.046 186 V CA 0.223 62.908 62.300 0.642 0.000 1.066 186 V CB 1.250 33.314 31.823 0.403 0.000 0.968 186 V HN 0.845 nan 8.190 nan 0.000 0.483 187 M N 5.405 125.431 119.600 0.710 0.000 2.126 187 M HA 0.350 4.830 4.480 -0.000 0.000 0.217 187 M C -1.101 175.424 176.300 0.375 0.000 0.873 187 M CA -0.431 55.201 55.300 0.554 0.000 0.707 187 M CB 0.919 33.971 32.600 0.752 0.000 1.515 187 M HN 0.494 nan 8.290 nan 0.000 0.369 188 V N 5.067 125.146 119.914 0.276 0.000 2.403 188 V HA 0.146 4.266 4.120 -0.000 0.000 0.265 188 V C 0.597 176.824 176.094 0.220 0.000 1.034 188 V CA 0.019 62.452 62.300 0.222 0.000 1.036 188 V CB -0.430 31.533 31.823 0.233 0.000 1.032 188 V HN 0.666 nan 8.190 nan 0.000 0.478 189 L N 4.469 125.743 121.223 0.084 0.000 2.454 189 L HA 0.541 4.881 4.340 -0.000 0.000 0.256 189 L C 1.441 178.301 176.870 -0.016 0.000 1.136 189 L CA -0.626 54.198 54.840 -0.026 0.000 0.804 189 L CB 0.821 42.718 42.059 -0.270 0.000 1.181 189 L HN 0.541 nan 8.230 nan 0.000 0.469 190 R N 0.265 120.661 120.500 -0.173 0.000 2.038 190 R HA 0.092 4.432 4.340 -0.000 0.000 0.214 190 R C -0.114 175.798 176.300 -0.648 0.000 1.249 190 R CA 0.385 56.143 56.100 -0.570 0.000 1.025 190 R CB 0.078 29.831 30.300 -0.912 0.000 0.911 190 R HN 0.522 nan 8.270 nan 0.000 0.456 191 W N 1.247 122.633 121.300 0.143 0.000 2.184 191 W HA 0.156 4.816 4.660 -0.000 0.000 0.338 191 W C 0.772 177.425 176.519 0.224 0.000 1.257 191 W CA -0.468 56.975 57.345 0.163 0.000 1.243 191 W CB 0.739 30.310 29.460 0.184 0.000 1.122 191 W HN 0.197 nan 8.180 nan 0.000 0.585 192 S N -0.475 115.545 115.700 0.533 0.000 3.341 192 S HA 0.317 4.787 4.470 -0.000 0.000 0.326 192 S C 0.062 174.971 174.600 0.515 0.000 1.178 192 S CA -0.113 58.395 58.200 0.513 0.000 1.002 192 S CB 1.006 64.459 63.200 0.420 0.000 1.385 192 S HN 0.530 nan 8.310 nan 0.000 0.710 193 D N 0.069 120.752 120.400 0.471 0.000 2.394 193 D HA 0.227 4.867 4.640 -0.000 0.000 0.226 193 D C 1.757 178.374 176.300 0.529 0.000 0.990 193 D CA 0.424 54.723 54.000 0.497 0.000 0.902 193 D CB -0.799 40.196 40.800 0.325 0.000 1.038 193 D HN 0.642 nan 8.370 nan 0.000 0.499 194 G N 0.116 109.157 108.800 0.401 0.000 2.708 194 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.210 194 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.210 194 G C 1.423 176.501 174.900 0.297 0.000 1.141 194 G CA 0.567 45.860 45.100 0.321 0.000 0.788 194 G HN 0.226 nan 8.290 nan 0.000 0.531 195 S N 0.267 116.167 115.700 0.334 0.000 2.329 195 S HA -0.093 4.377 4.470 -0.000 0.000 0.215 195 S C 1.875 176.630 174.600 0.259 0.000 1.031 195 S CA 0.777 59.145 58.200 0.280 0.000 0.985 195 S CB -0.573 62.814 63.200 0.311 0.000 0.917 195 S HN 0.451 nan 8.310 nan 0.000 0.441 196 Y N 1.549 121.917 120.300 0.114 0.000 2.387 196 Y HA -0.112 4.438 4.550 -0.000 0.000 0.280 196 Y C 1.721 177.685 175.900 0.107 0.000 1.196 196 Y CA 0.723 58.817 58.100 -0.010 0.000 1.322 196 Y CB -0.433 37.847 38.460 -0.301 0.000 0.970 196 Y HN 0.208 nan 8.280 nan 0.000 0.564 197 L N -0.329 121.048 121.223 0.257 0.000 2.640 197 L HA 0.084 4.424 4.340 -0.000 0.000 0.230 197 L C 0.255 177.249 176.870 0.207 0.000 1.123 197 L CA 0.556 55.511 54.840 0.192 0.000 0.900 197 L CB 0.031 42.202 42.059 0.187 0.000 1.146 197 L HN 0.277 nan 8.230 nan 0.000 0.484 198 E N -0.590 119.749 120.200 0.232 0.000 3.157 198 E HA 0.021 4.371 4.350 -0.000 0.000 0.203 198 E C -0.445 176.268 176.600 0.188 0.000 0.982 198 E CA -0.090 56.431 56.400 0.202 0.000 1.217 198 E CB 0.449 30.251 29.700 0.170 0.000 1.123 198 E HN 0.025 nan 8.360 nan 0.000 0.457 199 D N 1.791 122.294 120.400 0.172 0.000 3.008 199 D HA 0.001 4.641 4.640 -0.000 0.000 0.242 199 D C -0.353 175.968 176.300 0.035 0.000 1.222 199 D CA 0.149 54.155 54.000 0.010 0.000 0.883 199 D CB -0.021 40.608 40.800 -0.286 0.000 1.110 199 D HN 0.074 nan 8.370 nan 0.000 0.455 200 Q N 0.281 120.165 119.800 0.141 0.000 2.299 200 Q HA 0.190 4.530 4.340 -0.000 0.000 0.246 200 Q C -0.276 175.813 176.000 0.148 0.000 0.935 200 Q CA -0.452 55.492 55.803 0.234 0.000 0.887 200 Q CB 1.007 29.975 28.738 0.383 0.000 1.223 200 Q HN 0.137 nan 8.270 nan 0.000 0.439 201 D N 3.163 123.665 120.400 0.170 0.000 2.398 201 D HA 0.216 4.856 4.640 -0.000 0.000 0.250 201 D C -0.817 175.608 176.300 0.209 0.000 1.287 201 D CA 0.253 54.308 54.000 0.093 0.000 0.992 201 D CB -0.262 40.589 40.800 0.086 0.000 1.071 201 D HN 0.459 nan 8.370 nan 0.000 0.514 202 M N 0.678 120.360 119.600 0.137 0.000 3.493 202 M HA 0.391 4.871 4.480 -0.000 0.000 0.300 202 M C -1.477 174.922 176.300 0.164 0.000 1.288 202 M CA -1.180 54.208 55.300 0.145 0.000 0.867 202 M CB 0.901 33.566 32.600 0.108 0.000 1.735 202 M HN -0.037 nan 8.290 nan 0.000 0.518 203 W N 2.314 123.741 121.300 0.211 0.000 2.253 203 W HA 0.407 5.067 4.660 -0.000 0.000 0.322 203 W C 0.204 176.733 176.519 0.016 0.000 1.342 203 W CA -0.216 57.218 57.345 0.149 0.000 1.218 203 W CB 0.541 30.034 29.460 0.055 0.000 1.205 203 W HN 0.253 nan 8.180 nan 0.000 0.551 204 R N 5.396 126.092 120.500 0.326 0.000 2.216 204 R HA 0.389 4.729 4.340 -0.000 0.000 0.332 204 R C 0.012 176.356 176.300 0.073 0.000 1.056 204 R CA -0.021 56.181 56.100 0.171 0.000 0.901 204 R CB 0.323 30.747 30.300 0.206 0.000 1.039 204 R HN 0.588 nan 8.270 nan 0.000 0.456 205 M N 0.352 119.900 119.600 -0.087 0.000 2.555 205 M HA 0.496 4.976 4.480 -0.000 0.000 0.265 205 M C -0.209 175.852 176.300 -0.399 0.000 1.020 205 M CA -0.928 54.218 55.300 -0.256 0.000 1.162 205 M CB 1.782 34.192 32.600 -0.315 0.000 1.557 205 M HN 0.658 nan 8.290 nan 0.000 0.643 206 S N -1.076 114.288 115.700 -0.561 0.000 2.714 206 S HA 0.651 5.121 4.470 -0.000 0.000 0.284 206 S C -0.736 173.367 174.600 -0.828 0.000 1.019 206 S CA -0.238 57.518 58.200 -0.740 0.000 0.856 206 S CB 0.830 63.493 63.200 -0.894 0.000 1.075 206 S HN 1.842 nan 8.310 nan 0.000 0.455 207 G N 0.831 109.331 108.800 -0.501 0.000 2.384 207 G HA2 0.142 4.102 3.960 -0.000 0.000 0.668 207 G HA3 0.142 4.102 3.960 -0.000 0.000 0.668 207 G C -0.797 173.955 174.900 -0.247 0.000 1.280 207 G CA -0.565 44.403 45.100 -0.220 0.000 0.992 207 G HN 1.589 nan 8.290 nan 0.000 0.512 208 I N 1.953 122.245 120.570 -0.464 0.000 2.352 208 I HA 0.191 4.361 4.170 -0.000 0.000 0.303 208 I C 1.444 177.356 176.117 -0.342 0.000 1.194 208 I CA 0.056 61.022 61.300 -0.557 0.000 1.518 208 I CB -0.612 36.910 38.000 -0.797 0.000 1.489 208 I HN 0.479 nan 8.210 nan 0.000 0.702 209 F N 3.059 122.866 119.950 -0.238 0.000 2.797 209 F HA 0.385 4.912 4.527 -0.000 0.000 0.302 209 F C 0.658 176.392 175.800 -0.110 0.000 1.130 209 F CA -0.499 57.395 58.000 -0.176 0.000 1.387 209 F CB -0.103 38.791 39.000 -0.176 0.000 1.107 209 F HN 0.119 nan 8.300 nan 0.000 0.577 210 R N 0.817 121.148 120.500 -0.282 0.000 2.698 210 R HA 0.172 4.512 4.340 -0.000 0.000 0.275 210 R C -1.047 175.163 176.300 -0.151 0.000 1.001 210 R CA -1.127 54.920 56.100 -0.089 0.000 0.896 210 R CB 1.183 31.446 30.300 -0.060 0.000 1.218 210 R HN 0.008 nan 8.270 nan 0.000 0.462 211 D N 0.771 121.133 120.400 -0.062 0.000 2.800 211 D HA -0.103 4.537 4.640 -0.000 0.000 0.193 211 D C -0.422 175.763 176.300 -0.192 0.000 1.141 211 D CA 0.789 54.730 54.000 -0.098 0.000 0.786 211 D CB 0.396 41.173 40.800 -0.038 0.000 1.166 211 D HN 0.026 nan 8.370 nan 0.000 0.517 212 V N 0.989 120.778 119.914 -0.209 0.000 2.577 212 V HA 0.552 4.672 4.120 -0.000 0.000 0.303 212 V C -0.398 175.572 176.094 -0.207 0.000 1.042 212 V CA -0.307 61.779 62.300 -0.356 0.000 0.872 212 V CB 1.898 33.495 31.823 -0.377 0.000 0.998 212 V HN 0.814 nan 8.190 nan 0.000 0.423 213 S N 5.700 121.265 115.700 -0.225 0.000 2.685 213 S HA 0.809 5.279 4.470 -0.000 0.000 0.282 213 S C -1.268 173.310 174.600 -0.037 0.000 1.159 213 S CA -0.959 57.187 58.200 -0.091 0.000 0.833 213 S CB 2.106 65.286 63.200 -0.033 0.000 1.151 213 S HN 0.454 nan 8.310 nan 0.000 0.485 214 L N 1.283 122.547 121.223 0.068 0.000 2.385 214 L HA 0.634 4.974 4.340 -0.000 0.000 0.273 214 L C -1.720 175.307 176.870 0.261 0.000 0.990 214 L CA -0.752 54.208 54.840 0.201 0.000 0.821 214 L CB 1.799 44.033 42.059 0.292 0.000 1.279 214 L HN 0.609 nan 8.230 nan 0.000 0.412 215 L N 3.094 124.422 121.223 0.175 0.000 2.372 215 L HA 0.474 4.814 4.340 -0.000 0.000 0.274 215 L C -0.846 175.932 176.870 -0.153 0.000 0.988 215 L CA -0.235 54.627 54.840 0.037 0.000 0.833 215 L CB 1.366 43.461 42.059 0.061 0.000 1.236 215 L HN 0.439 nan 8.230 nan 0.000 0.410 216 H N 4.685 123.378 119.070 -0.628 0.000 2.488 216 H HA 0.593 5.149 4.556 -0.000 0.000 0.322 216 H C -1.053 173.974 175.328 -0.502 0.000 1.078 216 H CA -0.084 55.411 56.048 -0.920 0.000 1.260 216 H CB 0.852 29.305 29.762 -2.182 0.000 1.425 216 H HN 0.560 nan 8.280 nan 0.000 0.471 217 K N 5.071 124.992 120.400 -0.798 0.000 2.443 217 K HA 0.370 4.690 4.320 -0.000 0.000 0.251 217 K C -2.759 173.489 176.600 -0.587 0.000 0.972 217 K CA -2.212 53.742 56.287 -0.556 0.000 0.833 217 K CB 2.258 34.534 32.500 -0.373 0.000 1.317 217 K HN 0.454 nan 8.250 nan 0.000 0.441 218 P HA 0.089 nan 4.420 nan 0.000 0.277 218 P C 0.309 177.466 177.300 -0.239 0.000 1.276 218 P CA -0.073 62.859 63.100 -0.281 0.000 0.788 218 P CB 0.326 31.919 31.700 -0.179 0.000 1.114 219 T N -2.997 111.459 114.554 -0.163 0.000 2.894 219 T HA -0.008 4.342 4.350 -0.000 0.000 0.258 219 T C 0.686 175.305 174.700 -0.135 0.000 1.043 219 T CA 1.283 63.306 62.100 -0.128 0.000 1.141 219 T CB -0.739 68.080 68.868 -0.082 0.000 0.873 219 T HN 0.308 nan 8.240 nan 0.000 0.449 220 T N 3.748 118.222 114.554 -0.133 0.000 2.811 220 T HA 0.390 4.739 4.350 -0.000 0.000 0.309 220 T C -0.212 174.386 174.700 -0.171 0.000 1.005 220 T CA -0.655 61.353 62.100 -0.154 0.000 0.955 220 T CB 0.411 69.198 68.868 -0.136 0.000 0.970 220 T HN 0.456 nan 8.240 nan 0.000 0.496 221 Q N 3.317 122.996 119.800 -0.201 0.000 2.587 221 Q HA 0.516 4.856 4.340 -0.000 0.000 0.293 221 Q C -1.180 174.682 176.000 -0.230 0.000 1.083 221 Q CA -1.059 54.605 55.803 -0.231 0.000 0.792 221 Q CB 1.422 29.984 28.738 -0.294 0.000 1.484 221 Q HN 0.444 nan 8.270 nan 0.000 0.446 222 I N 3.177 123.572 120.570 -0.292 0.000 2.269 222 I HA 0.056 4.226 4.170 -0.000 0.000 0.293 222 I C 0.958 176.810 176.117 -0.441 0.000 1.106 222 I CA -0.127 61.011 61.300 -0.269 0.000 1.248 222 I CB 0.869 38.675 38.000 -0.323 0.000 1.444 222 I HN 0.760 nan 8.210 nan 0.000 0.497 223 S N 3.102 118.667 115.700 -0.225 0.000 2.631 223 S HA 0.104 4.574 4.470 -0.000 0.000 0.217 223 S C 0.279 174.981 174.600 0.170 0.000 0.958 223 S CA -0.108 57.999 58.200 -0.154 0.000 0.920 223 S CB 0.055 63.198 63.200 -0.094 0.000 0.776 223 S HN 0.719 nan 8.310 nan 0.000 0.517 224 D N -0.640 119.961 120.400 0.335 0.000 2.926 224 D HA 0.417 5.057 4.640 -0.000 0.000 0.282 224 D C -1.851 174.791 176.300 0.570 0.000 1.201 224 D CA -0.345 53.950 54.000 0.492 0.000 0.735 224 D CB 1.402 42.333 40.800 0.218 0.000 1.257 224 D HN 0.237 nan 8.370 nan 0.000 0.428 225 F N -0.677 119.374 119.950 0.169 0.000 2.767 225 F HA 0.494 5.021 4.527 -0.000 0.000 0.317 225 F C -2.115 173.871 175.800 0.309 0.000 1.119 225 F CA -0.708 57.361 58.000 0.116 0.000 0.971 225 F CB 0.530 39.611 39.000 0.134 0.000 1.251 225 F HN 0.331 nan 8.300 nan 0.000 0.450 226 H N 1.219 120.206 119.070 -0.138 0.000 2.806 226 H HA 0.828 5.384 4.556 -0.000 0.000 0.367 226 H C -1.434 173.793 175.328 -0.169 0.000 1.136 226 H CA -1.444 54.461 56.048 -0.239 0.000 1.178 226 H CB 2.840 32.524 29.762 -0.130 0.000 1.718 226 H HN 0.626 nan 8.280 nan 0.000 0.540 227 V N 1.202 121.058 119.914 -0.098 0.000 2.864 227 V HA 0.832 4.952 4.120 -0.000 0.000 0.314 227 V C -0.512 175.508 176.094 -0.123 0.000 1.073 227 V CA -0.648 61.590 62.300 -0.102 0.000 0.956 227 V CB 1.734 33.483 31.823 -0.124 0.000 1.023 227 V HN 0.953 nan 8.190 nan 0.000 0.435 228 A N 1.813 124.542 122.820 -0.151 0.000 2.577 228 A HA 0.838 5.158 4.320 -0.000 0.000 0.297 228 A C -0.550 176.885 177.584 -0.248 0.000 1.060 228 A CA -0.314 51.630 52.037 -0.156 0.000 0.697 228 A CB 1.985 20.925 19.000 -0.099 0.000 1.281 228 A HN 0.989 nan 8.150 nan 0.000 0.402 229 T N -0.057 114.337 114.554 -0.266 0.000 2.876 229 T HA 0.870 5.220 4.350 -0.000 0.000 0.289 229 T C -0.380 174.040 174.700 -0.465 0.000 1.014 229 T CA -0.866 60.940 62.100 -0.490 0.000 0.986 229 T CB 1.576 70.064 68.868 -0.633 0.000 1.021 229 T HN 0.850 nan 8.240 nan 0.000 0.458 230 R N 1.023 121.103 120.500 -0.699 0.000 2.867 230 R HA 0.845 5.185 4.340 -0.000 0.000 0.268 230 R C -1.497 174.379 176.300 -0.707 0.000 1.014 230 R CA -0.949 54.888 56.100 -0.439 0.000 0.946 230 R CB 1.521 31.706 30.300 -0.192 0.000 1.208 230 R HN 0.543 nan 8.270 nan 0.000 0.477 231 F N -0.455 119.449 119.950 -0.077 0.000 2.685 231 F HA 0.323 4.850 4.527 -0.000 0.000 0.315 231 F C 0.020 175.682 175.800 -0.230 0.000 1.126 231 F CA -1.391 56.525 58.000 -0.140 0.000 0.950 231 F CB 0.604 39.460 39.000 -0.240 0.000 1.360 231 F HN 0.491 nan 8.300 nan 0.000 0.469 232 N N 0.585 119.279 118.700 -0.010 0.000 2.294 232 N HA 0.027 4.767 4.740 -0.000 0.000 0.248 232 N C 0.656 176.036 175.510 -0.216 0.000 1.300 232 N CA 0.171 53.172 53.050 -0.081 0.000 0.925 232 N CB 0.132 38.599 38.487 -0.033 0.000 1.188 232 N HN 0.732 nan 8.380 nan 0.000 0.512 233 D N -0.824 119.494 120.400 -0.136 0.000 2.149 233 D HA -0.248 4.392 4.640 -0.000 0.000 0.198 233 D C 0.422 176.624 176.300 -0.163 0.000 0.990 233 D CA 1.622 55.542 54.000 -0.134 0.000 0.839 233 D CB -0.408 40.363 40.800 -0.048 0.000 0.948 233 D HN 0.754 nan 8.370 nan 0.000 0.460 234 D N -1.178 119.171 120.400 -0.085 0.000 2.462 234 D HA -0.024 4.616 4.640 -0.000 0.000 0.221 234 D C 0.104 176.556 176.300 0.255 0.000 1.173 234 D CA -0.756 53.300 54.000 0.093 0.000 0.831 234 D CB -0.835 40.031 40.800 0.109 0.000 1.001 234 D HN 0.183 nan 8.370 nan 0.000 0.499 235 F N 0.125 120.122 119.950 0.078 0.000 3.006 235 F HA -0.302 4.225 4.527 -0.000 0.000 0.289 235 F C 1.691 177.568 175.800 0.129 0.000 0.772 235 F CA 0.810 58.876 58.000 0.111 0.000 1.162 235 F CB -2.542 36.436 39.000 -0.036 0.000 1.382 235 F HN 0.022 nan 8.300 nan 0.000 0.406 236 S N -0.664 115.151 115.700 0.193 0.000 2.453 236 S HA -0.001 4.469 4.470 -0.000 0.000 0.231 236 S C 0.778 175.454 174.600 0.128 0.000 1.005 236 S CA 0.832 59.116 58.200 0.140 0.000 0.949 236 S CB 0.058 63.308 63.200 0.084 0.000 0.774 236 S HN 0.366 nan 8.310 nan 0.000 0.510 237 R N 0.466 121.051 120.500 0.143 0.000 2.651 237 R HA 0.824 5.164 4.340 -0.000 0.000 0.278 237 R C -1.047 175.329 176.300 0.125 0.000 1.010 237 R CA -0.501 55.660 56.100 0.103 0.000 0.896 237 R CB 1.415 31.737 30.300 0.036 0.000 1.211 237 R HN 0.139 nan 8.270 nan 0.000 0.456 238 A N 1.130 123.990 122.820 0.067 0.000 2.485 238 A HA 0.785 5.105 4.320 -0.000 0.000 0.292 238 A C -1.148 176.361 177.584 -0.125 0.000 1.147 238 A CA -0.759 51.189 52.037 -0.148 0.000 0.750 238 A CB 2.159 21.011 19.000 -0.248 0.000 1.331 238 A HN 0.309 nan 8.150 nan 0.000 0.419 239 V N 1.590 121.339 119.914 -0.275 0.000 2.380 239 V HA 0.315 4.435 4.120 -0.000 0.000 0.286 239 V C -0.821 175.131 176.094 -0.237 0.000 1.015 239 V CA -0.406 61.784 62.300 -0.184 0.000 0.834 239 V CB 1.099 32.828 31.823 -0.157 0.000 1.009 239 V HN 0.778 nan 8.190 nan 0.000 0.428 240 L N 5.156 126.278 121.223 -0.167 0.000 2.369 240 L HA 0.450 4.790 4.340 -0.000 0.000 0.279 240 L C 0.173 176.949 176.870 -0.157 0.000 1.108 240 L CA 0.538 55.239 54.840 -0.232 0.000 0.852 240 L CB 0.551 42.500 42.059 -0.184 0.000 1.169 240 L HN 0.839 nan 8.230 nan 0.000 0.452 241 E N 4.913 125.015 120.200 -0.164 0.000 2.186 241 E HA 0.684 5.034 4.350 -0.000 0.000 0.255 241 E C -1.503 175.049 176.600 -0.079 0.000 0.881 241 E CA -0.717 55.618 56.400 -0.109 0.000 0.752 241 E CB 1.171 30.806 29.700 -0.108 0.000 1.176 241 E HN 0.835 nan 8.360 nan 0.000 0.421 242 A N 4.339 127.130 122.820 -0.048 0.000 2.324 242 A HA 0.480 4.800 4.320 -0.000 0.000 0.330 242 A C -0.663 176.917 177.584 -0.007 0.000 1.165 242 A CA -0.682 51.354 52.037 -0.002 0.000 0.813 242 A CB 1.236 20.260 19.000 0.040 0.000 1.197 242 A HN 0.760 nan 8.150 nan 0.000 0.484 243 E N 2.103 122.311 120.200 0.014 0.000 2.191 243 E HA 0.571 4.921 4.350 -0.000 0.000 0.263 243 E C -1.692 174.899 176.600 -0.014 0.000 0.881 243 E CA -0.470 55.907 56.400 -0.037 0.000 0.757 243 E CB 1.604 31.250 29.700 -0.090 0.000 1.147 243 E HN 0.385 nan 8.360 nan 0.000 0.414 244 V N 4.303 124.197 119.914 -0.034 0.000 2.667 244 V HA 0.371 4.491 4.120 -0.000 0.000 0.308 244 V C -0.663 175.443 176.094 0.019 0.000 1.048 244 V CA -0.633 61.677 62.300 0.017 0.000 0.928 244 V CB 1.830 33.624 31.823 -0.049 0.000 1.004 244 V HN 0.745 nan 8.190 nan 0.000 0.444 245 Q N 4.258 124.109 119.800 0.084 0.000 2.304 245 Q HA 0.707 5.047 4.340 -0.000 0.000 0.270 245 Q C -0.848 175.229 176.000 0.128 0.000 1.035 245 Q CA -0.772 55.086 55.803 0.091 0.000 0.781 245 Q CB 2.504 31.230 28.738 -0.020 0.000 1.261 245 Q HN 0.811 nan 8.270 nan 0.000 0.444 246 M N -0.380 119.320 119.600 0.166 0.000 2.613 246 M HA 0.801 5.281 4.480 -0.000 0.000 0.301 246 M C -1.024 175.204 176.300 -0.120 0.000 1.205 246 M CA -0.354 54.933 55.300 -0.022 0.000 0.950 246 M CB 1.867 34.294 32.600 -0.288 0.000 1.585 246 M HN 0.575 nan 8.290 nan 0.000 0.490 247 C N 1.067 120.261 119.300 -0.176 0.000 2.609 247 C HA 0.972 5.432 4.460 -0.000 0.000 0.313 247 C C 0.359 175.243 174.990 -0.177 0.000 1.175 247 C CA 0.848 59.771 59.018 -0.159 0.000 1.434 247 C CB 0.793 28.453 27.740 -0.134 0.000 2.005 247 C HN 1.356 nan 8.230 nan 0.000 0.471 248 G N 3.925 112.636 108.800 -0.148 0.000 2.295 248 G HA2 0.029 3.989 3.960 -0.000 0.000 0.195 248 G HA3 0.029 3.989 3.960 -0.000 0.000 0.195 248 G C -1.246 173.575 174.900 -0.132 0.000 1.269 248 G CA -0.726 44.293 45.100 -0.134 0.000 1.170 248 G HN 0.713 nan 8.290 nan 0.000 0.511 249 E N 0.010 120.135 120.200 -0.125 0.000 2.289 249 E HA 0.542 4.892 4.350 -0.000 0.000 0.278 249 E C 0.120 176.611 176.600 -0.181 0.000 1.032 249 E CA -0.290 56.042 56.400 -0.113 0.000 0.854 249 E CB 1.403 31.066 29.700 -0.062 0.000 1.046 249 E HN 0.453 nan 8.360 nan 0.000 0.409 250 L N 3.889 125.013 121.223 -0.164 0.000 2.331 250 L HA 0.337 4.677 4.340 -0.000 0.000 0.278 250 L C 0.220 176.974 176.870 -0.193 0.000 1.106 250 L CA 0.314 55.026 54.840 -0.215 0.000 0.824 250 L CB 0.427 42.397 42.059 -0.149 0.000 1.142 250 L HN 0.432 nan 8.230 nan 0.000 0.443 251 R N 2.887 123.200 120.500 -0.311 0.000 3.107 251 R HA 0.017 4.357 4.340 -0.000 0.000 0.251 251 R C 0.551 176.533 176.300 -0.530 0.000 1.818 251 R CA -0.216 55.685 56.100 -0.330 0.000 1.228 251 R CB 0.435 30.561 30.300 -0.290 0.000 1.459 251 R HN 0.929 nan 8.270 nan 0.000 0.520 252 D N 2.209 122.489 120.400 -0.201 0.000 6.539 252 D HA -0.406 4.234 4.640 -0.000 0.000 0.328 252 D C 1.049 177.265 176.300 -0.139 0.000 1.918 252 D CA 2.873 56.815 54.000 -0.096 0.000 0.853 252 D CB -0.742 40.076 40.800 0.029 0.000 0.502 252 D HN 0.682 nan 8.370 nan 0.000 1.020 253 Y N 0.721 121.011 120.300 -0.016 0.000 2.651 253 Y HA 0.248 4.798 4.550 -0.000 0.000 0.293 253 Y C 1.268 177.150 175.900 -0.030 0.000 1.151 253 Y CA -0.192 57.892 58.100 -0.027 0.000 1.362 253 Y CB -0.898 37.542 38.460 -0.032 0.000 0.973 253 Y HN 0.034 nan 8.280 nan 0.000 0.561 254 L N 2.821 123.756 121.223 -0.480 0.000 2.418 254 L HA 0.244 4.584 4.340 -0.000 0.000 0.274 254 L C 0.106 177.000 176.870 0.040 0.000 1.135 254 L CA 0.162 54.863 54.840 -0.231 0.000 0.870 254 L CB 0.222 42.075 42.059 -0.343 0.000 1.154 254 L HN 0.111 nan 8.230 nan 0.000 0.462 255 R N 2.400 122.916 120.500 0.027 0.000 2.740 255 R HA 0.716 5.056 4.340 -0.000 0.000 0.282 255 R C -1.161 175.255 176.300 0.194 0.000 0.969 255 R CA -0.841 55.238 56.100 -0.036 0.000 0.918 255 R CB 2.227 32.259 30.300 -0.446 0.000 1.175 255 R HN 0.256 nan 8.270 nan 0.000 0.464 256 V N 1.423 121.404 119.914 0.111 0.000 2.680 256 V HA 0.657 4.777 4.120 -0.000 0.000 0.309 256 V C -0.519 175.661 176.094 0.144 0.000 1.052 256 V CA -0.466 61.886 62.300 0.086 0.000 0.908 256 V CB 2.490 34.140 31.823 -0.287 0.000 1.001 256 V HN 0.792 nan 8.190 nan 0.000 0.431 257 T N 3.139 117.720 114.554 0.044 0.000 2.916 257 T HA 0.636 4.986 4.350 -0.000 0.000 0.298 257 T C -1.107 173.555 174.700 -0.063 0.000 1.031 257 T CA -0.430 61.654 62.100 -0.026 0.000 0.993 257 T CB 1.816 70.626 68.868 -0.098 0.000 1.045 257 T HN 0.350 nan 8.240 nan 0.000 0.454 258 V N 3.301 123.188 119.914 -0.046 0.000 2.462 258 V HA 0.479 4.599 4.120 -0.000 0.000 0.288 258 V C -0.241 175.826 176.094 -0.045 0.000 1.020 258 V CA -0.912 61.369 62.300 -0.033 0.000 0.857 258 V CB 1.514 33.322 31.823 -0.024 0.000 1.013 258 V HN 1.044 nan 8.190 nan 0.000 0.431 259 S N 5.255 120.936 115.700 -0.033 0.000 2.549 259 S HA 0.814 5.284 4.470 -0.000 0.000 0.297 259 S C -0.804 173.719 174.600 -0.128 0.000 1.115 259 S CA -0.761 57.365 58.200 -0.124 0.000 1.059 259 S CB 2.390 65.490 63.200 -0.167 0.000 1.046 259 S HN 0.391 nan 8.310 nan 0.000 0.506 260 L N 2.359 123.413 121.223 -0.282 0.000 2.272 260 L HA 0.619 4.959 4.340 -0.000 0.000 0.289 260 L C -1.586 175.112 176.870 -0.286 0.000 1.032 260 L CA -0.821 53.925 54.840 -0.157 0.000 0.810 260 L CB 0.295 42.295 42.059 -0.097 0.000 1.205 260 L HN 0.868 nan 8.230 nan 0.000 0.422 261 W N 4.124 125.516 121.300 0.155 0.000 2.819 261 W HA 0.566 5.226 4.660 -0.000 0.000 0.337 261 W C -0.345 176.321 176.519 0.245 0.000 1.077 261 W CA -0.580 56.855 57.345 0.151 0.000 1.226 261 W CB 1.476 30.981 29.460 0.075 0.000 1.419 261 W HN 0.394 nan 8.180 nan 0.000 0.502 262 Q N 3.214 123.292 119.800 0.462 0.000 2.616 262 Q HA 0.478 4.818 4.340 -0.000 0.000 0.250 262 Q C 0.556 176.659 176.000 0.172 0.000 0.991 262 Q CA 0.518 56.442 55.803 0.202 0.000 0.707 262 Q CB 0.697 29.487 28.738 0.087 0.000 1.247 262 Q HN 0.807 nan 8.270 nan 0.000 0.491 263 G N 3.117 111.991 108.800 0.123 0.000 2.536 263 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.277 263 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.277 263 G C 0.329 175.287 174.900 0.097 0.000 1.155 263 G CA 0.346 45.490 45.100 0.074 0.000 0.960 263 G HN 0.616 nan 8.290 nan 0.000 0.544 264 E N 0.918 121.189 120.200 0.118 0.000 2.498 264 E HA 0.204 4.554 4.350 -0.000 0.000 0.203 264 E C 0.113 176.965 176.600 0.421 0.000 1.013 264 E CA 0.417 56.879 56.400 0.103 0.000 0.927 264 E CB 0.593 30.301 29.700 0.014 0.000 1.012 264 E HN 0.377 nan 8.360 nan 0.000 0.482 265 T N 1.462 116.287 114.554 0.452 0.000 2.771 265 T HA 0.137 4.487 4.350 -0.000 0.000 0.291 265 T C -0.091 174.779 174.700 0.285 0.000 0.954 265 T CA -0.293 62.028 62.100 0.368 0.000 1.045 265 T CB 1.841 70.812 68.868 0.173 0.000 0.917 265 T HN -0.020 nan 8.240 nan 0.000 0.484 266 Q N 2.598 122.224 119.800 -0.290 0.000 2.294 266 Q HA 0.286 4.626 4.340 -0.000 0.000 0.257 266 Q C 0.514 176.237 176.000 -0.462 0.000 0.955 266 Q CA -0.376 54.757 55.803 -1.117 0.000 0.936 266 Q CB 0.850 28.650 28.738 -1.563 0.000 1.188 266 Q HN 0.648 nan 8.270 nan 0.000 0.420 267 V N 1.182 120.876 119.914 -0.365 0.000 3.263 267 V HA 0.432 4.552 4.120 -0.000 0.000 0.248 267 V C 0.276 176.261 176.094 -0.182 0.000 1.145 267 V CA 0.503 62.698 62.300 -0.175 0.000 1.107 267 V CB 0.296 32.094 31.823 -0.041 0.000 0.797 267 V HN 0.671 nan 8.190 nan 0.000 0.467 268 A N -0.378 122.301 122.820 -0.234 0.000 2.518 268 A HA 0.713 5.033 4.320 -0.000 0.000 0.295 268 A C -0.755 176.711 177.584 -0.196 0.000 1.052 268 A CA 0.024 51.956 52.037 -0.176 0.000 0.824 268 A CB 1.636 20.561 19.000 -0.125 0.000 1.325 268 A HN 0.113 nan 8.150 nan 0.000 0.394 269 S N 0.814 116.416 115.700 -0.164 0.000 2.536 269 S HA 0.851 5.321 4.470 -0.000 0.000 0.287 269 S C -0.220 174.328 174.600 -0.087 0.000 1.101 269 S CA 0.176 58.293 58.200 -0.138 0.000 0.950 269 S CB 1.627 64.736 63.200 -0.150 0.000 1.056 269 S HN 2.035 nan 8.310 nan 0.000 0.481 270 G N 2.275 111.036 108.800 -0.066 0.000 2.723 270 G HA2 0.545 4.505 3.960 -0.000 0.000 0.295 270 G HA3 0.545 4.505 3.960 -0.000 0.000 0.295 270 G C -1.094 173.788 174.900 -0.031 0.000 1.464 270 G CA -0.399 44.671 45.100 -0.049 0.000 1.012 270 G HN 0.622 nan 8.290 nan 0.000 0.522 271 T N 0.946 115.494 114.554 -0.010 0.000 2.771 271 T HA 0.772 5.122 4.350 -0.000 0.000 0.281 271 T C -0.005 174.690 174.700 -0.009 0.000 0.982 271 T CA -0.064 62.052 62.100 0.026 0.000 0.978 271 T CB 1.570 70.490 68.868 0.088 0.000 0.930 271 T HN 1.206 nan 8.240 nan 0.000 0.447 272 A N 4.791 127.589 122.820 -0.036 0.000 2.589 272 A HA 0.836 5.156 4.320 -0.000 0.000 0.296 272 A C -3.084 174.418 177.584 -0.136 0.000 1.062 272 A CA -1.776 50.213 52.037 -0.079 0.000 0.686 272 A CB 1.408 20.360 19.000 -0.080 0.000 1.282 272 A HN 0.505 nan 8.150 nan 0.000 0.404 273 P HA 0.450 nan 4.420 nan 0.000 0.278 273 P C -0.422 176.826 177.300 -0.087 0.000 1.238 273 P CA -0.057 63.019 63.100 -0.040 0.000 0.794 273 P CB 0.181 31.886 31.700 0.008 0.000 0.955 274 F N 1.204 121.125 119.950 -0.049 0.000 2.650 274 F HA 0.318 4.845 4.527 -0.000 0.000 0.355 274 F C 1.724 177.508 175.800 -0.027 0.000 1.163 274 F CA 2.034 60.011 58.000 -0.039 0.000 1.374 274 F CB -0.412 38.554 39.000 -0.057 0.000 1.065 274 F HN 0.631 nan 8.300 nan 0.000 0.616 275 G N 1.220 110.099 108.800 0.131 0.000 3.071 275 G HA2 0.401 4.361 3.960 -0.000 0.000 0.620 275 G HA3 0.401 4.361 3.960 -0.000 0.000 0.620 275 G C -0.659 174.262 174.900 0.035 0.000 1.204 275 G CA -0.737 44.408 45.100 0.076 0.000 1.200 275 G HN 1.087 nan 8.290 nan 0.000 0.530 276 G N 0.824 109.661 108.800 0.062 0.000 2.379 276 G HA2 0.714 4.674 3.960 -0.000 0.000 0.327 276 G HA3 0.714 4.674 3.960 -0.000 0.000 0.327 276 G C 0.185 175.099 174.900 0.023 0.000 1.145 276 G CA -0.519 44.611 45.100 0.050 0.000 0.905 276 G HN 0.821 nan 8.290 nan 0.000 0.466 277 E N 0.199 120.402 120.200 0.005 0.000 2.864 277 E HA -0.166 4.184 4.350 -0.000 0.000 0.285 277 E C 0.191 176.771 176.600 -0.032 0.000 0.965 277 E CA 0.700 57.093 56.400 -0.013 0.000 0.985 277 E CB 0.630 30.323 29.700 -0.011 0.000 1.000 277 E HN 0.391 nan 8.360 nan 0.000 0.475 278 I N 3.200 123.745 120.570 -0.042 0.000 2.668 278 I HA -0.126 4.044 4.170 -0.000 0.000 0.285 278 I C 1.451 177.528 176.117 -0.067 0.000 1.168 278 I CA 0.602 61.864 61.300 -0.063 0.000 1.424 278 I CB 0.091 38.061 38.000 -0.050 0.000 1.377 278 I HN 0.522 nan 8.210 nan 0.000 0.560 279 I N 1.463 121.973 120.570 -0.101 0.000 3.616 279 I HA 0.302 4.472 4.170 -0.000 0.000 0.296 279 I C 0.000 176.074 176.117 -0.072 0.000 1.226 279 I CA 0.183 61.434 61.300 -0.082 0.000 1.394 279 I CB 0.242 38.183 38.000 -0.099 0.000 1.171 279 I HN 0.626 nan 8.210 nan 0.000 0.442 280 D N -0.275 120.072 120.400 -0.088 0.000 2.921 280 D HA 0.146 4.786 4.640 -0.000 0.000 0.329 280 D C 0.339 176.601 176.300 -0.063 0.000 1.293 280 D CA -0.575 53.385 54.000 -0.066 0.000 0.964 280 D CB 0.333 41.096 40.800 -0.061 0.000 1.435 280 D HN -0.005 nan 8.370 nan 0.000 0.548 281 E N -0.946 119.224 120.200 -0.050 0.000 2.273 281 E HA -0.109 4.241 4.350 -0.000 0.000 0.198 281 E C 0.888 177.459 176.600 -0.049 0.000 1.002 281 E CA 0.905 57.280 56.400 -0.043 0.000 0.828 281 E CB -0.008 29.672 29.700 -0.033 0.000 0.747 281 E HN 0.175 nan 8.360 nan 0.000 0.491 282 R N 0.085 120.547 120.500 -0.063 0.000 2.586 282 R HA 0.248 4.588 4.340 -0.000 0.000 0.336 282 R C 0.398 176.644 176.300 -0.090 0.000 1.060 282 R CA 0.443 56.503 56.100 -0.066 0.000 1.079 282 R CB 1.116 31.380 30.300 -0.060 0.000 1.317 282 R HN 0.179 nan 8.270 nan 0.000 0.568 283 G N -0.240 108.503 108.800 -0.096 0.000 2.451 283 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.208 283 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.208 283 G C -0.214 174.578 174.900 -0.180 0.000 1.248 283 G CA -0.642 44.389 45.100 -0.115 0.000 0.989 283 G HN 0.451 nan 8.290 nan 0.000 0.559 284 G N -2.213 106.457 108.800 -0.217 0.000 3.135 284 G HA2 0.706 4.666 3.960 -0.000 0.000 0.278 284 G HA3 0.706 4.666 3.960 -0.000 0.000 0.278 284 G C -1.651 173.009 174.900 -0.401 0.000 1.302 284 G CA -0.586 44.319 45.100 -0.325 0.000 0.880 284 G HN 0.879 nan 8.290 nan 0.000 0.574 285 Y N 0.212 120.511 120.300 -0.001 0.000 2.330 285 Y HA 0.552 5.102 4.550 -0.000 0.000 0.336 285 Y C 1.216 177.131 175.900 0.025 0.000 1.036 285 Y CA -0.039 58.067 58.100 0.009 0.000 1.125 285 Y CB 2.097 40.563 38.460 0.010 0.000 1.194 285 Y HN 0.558 nan 8.280 nan 0.000 0.469 286 A N 1.437 124.362 122.820 0.174 0.000 1.943 286 A HA -0.083 4.237 4.320 -0.000 0.000 0.213 286 A C 1.407 179.103 177.584 0.186 0.000 1.181 286 A CA 1.075 53.187 52.037 0.125 0.000 0.653 286 A CB -0.396 18.641 19.000 0.061 0.000 0.833 286 A HN 0.821 nan 8.150 nan 0.000 0.451 287 D N -0.077 120.426 120.400 0.172 0.000 2.348 287 D HA 0.019 4.659 4.640 -0.000 0.000 0.248 287 D C 0.636 177.100 176.300 0.273 0.000 1.142 287 D CA 0.155 54.249 54.000 0.156 0.000 0.904 287 D CB -0.180 40.648 40.800 0.046 0.000 0.901 287 D HN 0.458 nan 8.370 nan 0.000 0.523 288 R N -1.406 119.265 120.500 0.285 0.000 2.885 288 R HA 0.793 5.133 4.340 -0.000 0.000 0.260 288 R C -1.411 174.909 176.300 0.033 0.000 1.107 288 R CA -1.279 54.909 56.100 0.147 0.000 0.978 288 R CB 2.314 32.635 30.300 0.035 0.000 1.227 288 R HN -0.026 nan 8.270 nan 0.000 0.473 289 V N -0.340 119.519 119.914 -0.092 0.000 3.155 289 V HA 0.411 4.531 4.120 -0.000 0.000 0.272 289 V C -1.948 174.070 176.094 -0.126 0.000 1.639 289 V CA -0.288 61.911 62.300 -0.168 0.000 1.006 289 V CB 2.629 34.214 31.823 -0.397 0.000 1.244 289 V HN 0.843 nan 8.190 nan 0.000 0.458 290 T N 6.665 121.161 114.554 -0.097 0.000 2.937 290 T HA 0.706 5.056 4.350 -0.000 0.000 0.297 290 T C -0.993 173.662 174.700 -0.075 0.000 0.991 290 T CA -0.313 61.743 62.100 -0.073 0.000 0.990 290 T CB 1.172 70.011 68.868 -0.048 0.000 0.991 290 T HN 0.588 nan 8.240 nan 0.000 0.440 291 L N 2.516 123.696 121.223 -0.072 0.000 2.387 291 L HA 0.691 5.031 4.340 -0.000 0.000 0.266 291 L C 0.571 177.403 176.870 -0.064 0.000 1.059 291 L CA -0.649 54.150 54.840 -0.069 0.000 0.801 291 L CB 0.568 42.585 42.059 -0.070 0.000 1.223 291 L HN 0.425 nan 8.230 nan 0.000 0.456 292 R N 1.347 121.809 120.500 -0.064 0.000 2.507 292 R HA 0.582 4.922 4.340 -0.000 0.000 0.298 292 R C -1.497 174.763 176.300 -0.066 0.000 1.087 292 R CA -0.442 55.618 56.100 -0.068 0.000 0.917 292 R CB 1.279 31.541 30.300 -0.064 0.000 1.173 292 R HN 0.473 nan 8.270 nan 0.000 0.472 293 L N 2.730 123.910 121.223 -0.072 0.000 2.322 293 L HA 0.484 4.824 4.340 -0.000 0.000 0.279 293 L C -0.481 176.352 176.870 -0.061 0.000 1.036 293 L CA -0.968 53.833 54.840 -0.066 0.000 0.807 293 L CB 1.693 43.714 42.059 -0.063 0.000 1.226 293 L HN 0.525 nan 8.230 nan 0.000 0.433 294 N N 2.410 121.076 118.700 -0.055 0.000 2.443 294 N HA 0.365 5.105 4.740 -0.000 0.000 0.269 294 N C -0.983 174.497 175.510 -0.050 0.000 0.985 294 N CA -0.321 52.700 53.050 -0.048 0.000 0.921 294 N CB 2.232 40.691 38.487 -0.047 0.000 1.195 294 N HN 0.154 nan 8.380 nan 0.000 0.492 295 V N 0.651 120.541 119.914 -0.040 0.000 2.313 295 V HA 0.324 4.444 4.120 -0.000 0.000 0.278 295 V C 0.510 176.564 176.094 -0.067 0.000 1.017 295 V CA -0.876 61.371 62.300 -0.089 0.000 0.823 295 V CB 1.472 33.192 31.823 -0.173 0.000 1.010 295 V HN 0.459 nan 8.190 nan 0.000 0.443 296 E N 4.090 124.258 120.200 -0.053 0.000 2.289 296 E HA 0.192 4.542 4.350 -0.000 0.000 0.278 296 E C -0.140 176.449 176.600 -0.018 0.000 1.032 296 E CA -0.179 56.208 56.400 -0.022 0.000 0.854 296 E CB 0.465 30.157 29.700 -0.014 0.000 1.046 296 E HN 0.743 nan 8.360 nan 0.000 0.409 297 N N 2.382 121.091 118.700 0.015 0.000 2.688 297 N HA -0.123 4.617 4.740 -0.000 0.000 0.258 297 N C -2.424 173.085 175.510 -0.002 0.000 1.016 297 N CA 0.350 53.416 53.050 0.027 0.000 0.747 297 N CB -1.308 37.193 38.487 0.024 0.000 0.895 297 N HN 0.401 nan 8.380 nan 0.000 0.543 298 P HA 0.055 nan 4.420 nan 0.000 0.270 298 P C -0.012 177.277 177.300 -0.018 0.000 1.223 298 P CA 0.293 63.275 63.100 -0.196 0.000 0.785 298 P CB 0.930 32.398 31.700 -0.387 0.000 0.923 299 K N 1.943 122.387 120.400 0.073 0.000 2.264 299 K HA 0.326 4.646 4.320 -0.000 0.000 0.277 299 K C 0.120 176.789 176.600 0.115 0.000 1.067 299 K CA -0.588 55.741 56.287 0.069 0.000 0.900 299 K CB 0.365 32.874 32.500 0.014 0.000 1.124 299 K HN 0.397 nan 8.250 nan 0.000 0.469 300 L N 1.489 122.734 121.223 0.037 0.000 2.472 300 L HA 0.281 4.621 4.340 -0.000 0.000 0.260 300 L C 0.024 176.958 176.870 0.106 0.000 1.209 300 L CA -0.565 54.309 54.840 0.055 0.000 0.817 300 L CB 0.216 42.179 42.059 -0.159 0.000 1.106 300 L HN 0.565 nan 8.230 nan 0.000 0.479 301 W N 1.815 123.116 121.300 0.001 0.000 2.376 301 W HA 0.570 5.230 4.660 -0.000 0.000 0.312 301 W C -0.445 176.061 176.519 -0.022 0.000 1.060 301 W CA -0.160 57.199 57.345 0.023 0.000 1.221 301 W CB 1.455 30.987 29.460 0.120 0.000 1.281 301 W HN 0.627 nan 8.180 nan 0.000 0.456 302 S N 3.402 118.598 115.700 -0.840 0.000 2.556 302 S HA 0.617 5.087 4.470 -0.000 0.000 0.271 302 S C 0.348 174.285 174.600 -1.106 0.000 1.135 302 S CA -0.381 57.401 58.200 -0.697 0.000 0.858 302 S CB 1.425 64.556 63.200 -0.114 0.000 1.114 302 S HN 0.930 nan 8.310 nan 0.000 0.468 303 A N 1.148 123.442 122.820 -0.878 0.000 1.986 303 A HA -0.129 4.191 4.320 -0.000 0.000 0.220 303 A C 1.786 179.063 177.584 -0.513 0.000 1.171 303 A CA 1.923 53.469 52.037 -0.818 0.000 0.640 303 A CB -0.985 17.406 19.000 -1.015 0.000 0.811 303 A HN 0.925 nan 8.150 nan 0.000 0.451 304 E N -0.814 119.185 120.200 -0.334 0.000 2.107 304 E HA 0.001 4.351 4.350 -0.000 0.000 0.191 304 E C 0.001 176.454 176.600 -0.246 0.000 0.982 304 E CA 0.897 57.144 56.400 -0.255 0.000 0.809 304 E CB -0.057 29.572 29.700 -0.118 0.000 0.756 304 E HN 0.691 nan 8.360 nan 0.000 0.459 305 I N 0.922 121.305 120.570 -0.312 0.000 2.700 305 I HA 0.155 4.325 4.170 -0.000 0.000 0.272 305 I C -2.649 173.204 176.117 -0.441 0.000 1.293 305 I CA -1.738 59.399 61.300 -0.272 0.000 0.989 305 I CB 1.503 39.405 38.000 -0.165 0.000 1.301 305 I HN -0.241 nan 8.210 nan 0.000 0.525 306 P HA 0.032 nan 4.420 nan 0.000 0.238 306 P C -0.275 177.034 177.300 0.015 0.000 1.729 306 P CA 0.125 62.796 63.100 -0.715 0.000 1.055 306 P CB -0.227 31.392 31.700 -0.134 0.000 1.980 307 N N 2.056 120.779 118.700 0.038 0.000 2.483 307 N HA 0.169 4.909 4.740 -0.000 0.000 0.264 307 N C 0.102 175.822 175.510 0.351 0.000 1.197 307 N CA 0.256 53.382 53.050 0.127 0.000 0.927 307 N CB 0.667 39.183 38.487 0.048 0.000 1.065 307 N HN 0.283 nan 8.380 nan 0.000 0.461 308 L N 2.176 123.492 121.223 0.155 0.000 2.301 308 L HA 0.517 4.857 4.340 -0.000 0.000 0.264 308 L C -1.008 175.863 176.870 0.001 0.000 1.016 308 L CA -0.833 54.111 54.840 0.173 0.000 0.821 308 L CB 1.328 43.483 42.059 0.162 0.000 1.346 308 L HN 0.423 nan 8.230 nan 0.000 0.429 309 Y N 0.068 120.494 120.300 0.209 0.000 2.504 309 Y HA 0.457 5.007 4.550 -0.000 0.000 0.344 309 Y C -0.371 175.643 175.900 0.191 0.000 1.023 309 Y CA -0.701 57.531 58.100 0.219 0.000 1.020 309 Y CB 2.295 40.946 38.460 0.318 0.000 1.282 309 Y HN 0.395 nan 8.280 nan 0.000 0.454 310 R N 2.010 122.734 120.500 0.374 0.000 2.343 310 R HA 0.846 5.186 4.340 -0.000 0.000 0.320 310 R C -1.311 175.185 176.300 0.326 0.000 0.956 310 R CA -0.536 55.730 56.100 0.277 0.000 0.836 310 R CB 0.897 31.296 30.300 0.165 0.000 1.151 310 R HN 0.755 nan 8.270 nan 0.000 0.450 311 A N 4.321 127.284 122.820 0.237 0.000 2.271 311 A HA 0.501 4.821 4.320 -0.000 0.000 0.317 311 A C -0.765 176.911 177.584 0.153 0.000 1.245 311 A CA -0.654 51.502 52.037 0.199 0.000 0.857 311 A CB 1.073 20.169 19.000 0.159 0.000 1.175 311 A HN 0.491 nan 8.150 nan 0.000 0.512 312 V N 2.611 122.616 119.914 0.153 0.000 2.394 312 V HA 0.404 4.524 4.120 -0.000 0.000 0.282 312 V C -0.051 176.048 176.094 0.008 0.000 1.031 312 V CA -0.648 61.685 62.300 0.055 0.000 0.881 312 V CB 1.344 33.216 31.823 0.083 0.000 0.982 312 V HN 0.529 nan 8.190 nan 0.000 0.451 313 V N 5.232 125.115 119.914 -0.053 0.000 2.277 313 V HA 0.299 4.419 4.120 -0.000 0.000 0.269 313 V C 0.154 176.188 176.094 -0.100 0.000 1.036 313 V CA -0.440 61.811 62.300 -0.082 0.000 0.821 313 V CB 0.879 32.605 31.823 -0.162 0.000 1.052 313 V HN 1.056 nan 8.190 nan 0.000 0.462 314 E N 4.935 125.063 120.200 -0.121 0.000 2.035 314 E HA 0.375 4.725 4.350 -0.000 0.000 0.271 314 E C -0.426 176.107 176.600 -0.111 0.000 0.953 314 E CA -0.891 55.408 56.400 -0.168 0.000 0.777 314 E CB 1.615 31.160 29.700 -0.257 0.000 1.104 314 E HN 0.463 nan 8.360 nan 0.000 0.408 315 L N 5.471 126.709 121.223 0.025 0.000 2.515 315 L HA 0.115 4.455 4.340 -0.000 0.000 0.281 315 L C -0.520 176.496 176.870 0.244 0.000 1.131 315 L CA 0.449 55.395 54.840 0.176 0.000 0.905 315 L CB -0.851 41.281 42.059 0.121 0.000 1.246 315 L HN 0.603 nan 8.230 nan 0.000 0.463 316 H N 1.534 120.651 119.070 0.079 0.000 3.690 316 H HA 0.807 5.363 4.556 -0.000 0.000 0.330 316 H C -0.755 174.629 175.328 0.093 0.000 1.693 316 H CA -0.548 55.542 56.048 0.071 0.000 1.349 316 H CB 0.234 30.031 29.762 0.058 0.000 1.539 316 H HN 0.415 nan 8.280 nan 0.000 0.757 317 T N -3.284 111.276 114.554 0.010 0.000 2.876 317 T HA 0.624 4.974 4.350 -0.000 0.000 0.289 317 T C 1.153 175.779 174.700 -0.123 0.000 1.014 317 T CA -0.366 61.738 62.100 0.006 0.000 0.986 317 T CB 2.005 70.999 68.868 0.211 0.000 1.021 317 T HN 0.828 nan 8.240 nan 0.000 0.458 318 A N 2.463 125.237 122.820 -0.077 0.000 1.958 318 A HA -0.217 4.103 4.320 -0.000 0.000 0.221 318 A C 1.799 179.363 177.584 -0.033 0.000 1.178 318 A CA 2.472 54.459 52.037 -0.085 0.000 0.642 318 A CB -1.340 17.645 19.000 -0.025 0.000 0.816 318 A HN 1.054 nan 8.150 nan 0.000 0.453 319 D N -1.953 118.451 120.400 0.006 0.000 2.351 319 D HA 0.253 4.893 4.640 -0.000 0.000 0.216 319 D C 1.075 177.394 176.300 0.031 0.000 0.968 319 D CA 0.995 55.003 54.000 0.014 0.000 0.899 319 D CB -0.603 40.202 40.800 0.009 0.000 0.907 319 D HN 1.108 nan 8.370 nan 0.000 0.514 320 G N -0.978 107.846 108.800 0.039 0.000 2.467 320 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.242 320 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.242 320 G C -0.162 174.818 174.900 0.133 0.000 1.127 320 G CA -0.073 45.097 45.100 0.117 0.000 0.924 320 G HN 0.379 nan 8.290 nan 0.000 0.499 321 T N 0.635 115.271 114.554 0.137 0.000 2.809 321 T HA 0.520 4.870 4.350 -0.000 0.000 0.284 321 T C 0.403 175.211 174.700 0.180 0.000 0.992 321 T CA -0.478 61.699 62.100 0.129 0.000 0.957 321 T CB 1.537 70.455 68.868 0.084 0.000 0.942 321 T HN 0.573 nan 8.240 nan 0.000 0.439 322 L N 5.520 126.830 121.223 0.145 0.000 2.500 322 L HA 0.157 4.497 4.340 -0.000 0.000 0.272 322 L C 0.707 177.634 176.870 0.094 0.000 1.149 322 L CA -0.143 54.770 54.840 0.121 0.000 0.897 322 L CB 0.185 42.284 42.059 0.066 0.000 1.178 322 L HN 0.627 nan 8.230 nan 0.000 0.473 323 I N 3.338 123.966 120.570 0.097 0.000 2.277 323 I HA 0.106 4.276 4.170 -0.000 0.000 0.243 323 I C 0.966 177.094 176.117 0.018 0.000 1.094 323 I CA 0.853 62.183 61.300 0.050 0.000 1.393 323 I CB -0.702 37.319 38.000 0.035 0.000 1.078 323 I HN 0.747 nan 8.210 nan 0.000 0.417 324 E N -1.220 118.991 120.200 0.018 0.000 2.388 324 E HA 0.606 4.956 4.350 -0.000 0.000 0.269 324 E C -1.887 174.725 176.600 0.021 0.000 1.172 324 E CA -0.520 55.887 56.400 0.012 0.000 0.887 324 E CB 1.352 31.021 29.700 -0.051 0.000 1.544 324 E HN -0.028 nan 8.360 nan 0.000 0.451 325 A N 0.994 123.854 122.820 0.068 0.000 2.569 325 A HA 0.831 5.151 4.320 -0.000 0.000 0.290 325 A C -1.520 176.149 177.584 0.141 0.000 1.136 325 A CA -0.529 51.548 52.037 0.066 0.000 0.710 325 A CB 2.045 21.064 19.000 0.031 0.000 1.303 325 A HN 0.435 nan 8.150 nan 0.000 0.413 326 E N -1.129 119.096 120.200 0.041 0.000 2.378 326 E HA 0.654 5.004 4.350 -0.000 0.000 0.283 326 E C -0.774 175.780 176.600 -0.077 0.000 0.979 326 E CA -0.056 56.377 56.400 0.055 0.000 0.795 326 E CB 1.909 31.528 29.700 -0.134 0.000 1.221 326 E HN 1.346 nan 8.360 nan 0.000 0.428 327 A N 0.415 123.247 122.820 0.019 0.000 2.533 327 A HA 0.964 5.284 4.320 -0.000 0.000 0.293 327 A C -0.983 176.705 177.584 0.174 0.000 1.228 327 A CA -0.099 51.938 52.037 0.001 0.000 0.689 327 A CB 1.177 20.043 19.000 -0.224 0.000 1.303 327 A HN 1.307 nan 8.150 nan 0.000 0.444 328 C N -1.300 118.089 119.300 0.148 0.000 2.854 328 C HA 0.511 4.971 4.460 -0.000 0.000 0.317 328 C C -2.098 172.975 174.990 0.138 0.000 1.273 328 C CA -0.984 58.133 59.018 0.165 0.000 1.203 328 C CB 0.155 28.017 27.740 0.204 0.000 1.308 328 C HN 0.906 nan 8.230 nan 0.000 0.468 329 D N 0.926 121.395 120.400 0.114 0.000 2.177 329 D HA 0.555 5.195 4.640 -0.000 0.000 0.247 329 D C -0.645 175.709 176.300 0.090 0.000 1.063 329 D CA -0.065 54.007 54.000 0.121 0.000 0.867 329 D CB 2.292 43.157 40.800 0.109 0.000 1.168 329 D HN 0.545 nan 8.370 nan 0.000 0.445 330 V N 1.187 121.196 119.914 0.159 0.000 2.448 330 V HA 0.545 4.665 4.120 -0.000 0.000 0.295 330 V C 0.433 176.671 176.094 0.240 0.000 1.025 330 V CA -0.634 61.756 62.300 0.149 0.000 0.859 330 V CB 1.931 33.896 31.823 0.236 0.000 0.988 330 V HN 0.673 nan 8.190 nan 0.000 0.431 331 G N 3.743 112.587 108.800 0.074 0.000 2.437 331 G HA2 0.581 4.541 3.960 -0.000 0.000 0.315 331 G HA3 0.581 4.541 3.960 -0.000 0.000 0.315 331 G C -0.938 174.135 174.900 0.288 0.000 1.210 331 G CA -0.359 44.829 45.100 0.147 0.000 0.943 331 G HN 0.436 nan 8.290 nan 0.000 0.471 332 F N 2.672 122.816 119.950 0.323 0.000 2.464 332 F HA 0.432 4.959 4.527 -0.000 0.000 0.353 332 F C 1.073 177.086 175.800 0.354 0.000 1.191 332 F CA -0.446 57.800 58.000 0.411 0.000 1.147 332 F CB 0.517 39.804 39.000 0.478 0.000 1.294 332 F HN 0.472 nan 8.300 nan 0.000 0.583 333 R N 0.858 121.611 120.500 0.423 0.000 2.707 333 R HA 0.576 4.916 4.340 -0.000 0.000 0.272 333 R C -1.443 174.962 176.300 0.175 0.000 1.011 333 R CA -1.102 55.120 56.100 0.204 0.000 0.893 333 R CB 1.943 32.411 30.300 0.281 0.000 1.233 333 R HN 0.394 nan 8.270 nan 0.000 0.464 334 E N 2.012 122.240 120.200 0.046 0.000 2.191 334 E HA 0.357 4.707 4.350 -0.000 0.000 0.263 334 E C -1.299 175.344 176.600 0.070 0.000 0.881 334 E CA -0.927 55.541 56.400 0.114 0.000 0.757 334 E CB 1.952 31.753 29.700 0.168 0.000 1.147 334 E HN 0.465 nan 8.360 nan 0.000 0.414 335 V N 5.553 125.508 119.914 0.068 0.000 2.293 335 V HA 0.462 4.582 4.120 -0.000 0.000 0.275 335 V C -0.030 176.090 176.094 0.044 0.000 1.021 335 V CA -0.635 61.683 62.300 0.030 0.000 0.815 335 V CB 0.812 32.636 31.823 0.002 0.000 1.025 335 V HN 0.582 nan 8.190 nan 0.000 0.448 336 R N 3.847 124.373 120.500 0.044 0.000 2.534 336 R HA 0.626 4.966 4.340 -0.000 0.000 0.301 336 R C -0.823 175.495 176.300 0.030 0.000 0.961 336 R CA -0.683 55.444 56.100 0.047 0.000 0.871 336 R CB 1.964 32.301 30.300 0.062 0.000 1.170 336 R HN 0.649 nan 8.270 nan 0.000 0.446 337 I N 3.797 124.384 120.570 0.028 0.000 2.269 337 I HA 0.101 4.271 4.170 -0.000 0.000 0.293 337 I C -0.009 176.120 176.117 0.021 0.000 1.106 337 I CA 0.085 61.395 61.300 0.017 0.000 1.248 337 I CB 0.769 38.779 38.000 0.017 0.000 1.444 337 I HN 0.532 nan 8.210 nan 0.000 0.497 338 E N 7.059 127.271 120.200 0.019 0.000 2.145 338 E HA 0.182 4.532 4.350 -0.000 0.000 0.270 338 E C 0.046 176.654 176.600 0.013 0.000 0.906 338 E CA -0.556 55.857 56.400 0.021 0.000 0.761 338 E CB 0.731 30.448 29.700 0.028 0.000 1.116 338 E HN 0.474 nan 8.360 nan 0.000 0.408 339 N N 3.743 122.450 118.700 0.012 0.000 2.738 339 N HA -0.195 4.545 4.740 -0.000 0.000 0.249 339 N C 0.428 175.939 175.510 0.002 0.000 1.047 339 N CA 1.612 54.666 53.050 0.008 0.000 0.707 339 N CB -1.331 37.161 38.487 0.008 0.000 0.937 339 N HN 1.047 nan 8.380 nan 0.000 0.545 340 G N -1.393 107.407 108.800 -0.001 0.000 2.155 340 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.257 340 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.257 340 G C -0.116 174.773 174.900 -0.017 0.000 0.983 340 G CA 0.575 45.669 45.100 -0.010 0.000 0.676 340 G HN 0.484 nan 8.290 nan 0.000 0.528 341 L N 0.089 121.305 121.223 -0.013 0.000 2.406 341 L HA 0.521 4.861 4.340 -0.000 0.000 0.272 341 L C 0.022 176.882 176.870 -0.017 0.000 0.980 341 L CA -1.227 53.602 54.840 -0.019 0.000 0.831 341 L CB 1.822 43.875 42.059 -0.010 0.000 1.253 341 L HN 0.124 nan 8.230 nan 0.000 0.406 342 L N 5.216 126.420 121.223 -0.032 0.000 2.433 342 L HA 0.346 4.686 4.340 -0.000 0.000 0.275 342 L C -0.787 176.067 176.870 -0.027 0.000 1.128 342 L CA 0.714 55.535 54.840 -0.031 0.000 0.875 342 L CB 0.208 42.237 42.059 -0.051 0.000 1.171 342 L HN 0.404 nan 8.230 nan 0.000 0.463 343 L N 5.635 126.854 121.223 -0.007 0.000 2.313 343 L HA 0.639 4.979 4.340 -0.000 0.000 0.268 343 L C -0.843 176.032 176.870 0.008 0.000 1.010 343 L CA -0.941 53.905 54.840 0.010 0.000 0.814 343 L CB 1.895 43.979 42.059 0.041 0.000 1.304 343 L HN 0.590 nan 8.230 nan 0.000 0.441 344 L N 2.146 123.390 121.223 0.035 0.000 2.611 344 L HA 0.394 4.734 4.340 -0.000 0.000 0.263 344 L C -1.044 175.823 176.870 -0.005 0.000 0.969 344 L CA -0.151 54.701 54.840 0.021 0.000 0.894 344 L CB 0.819 42.883 42.059 0.007 0.000 1.229 344 L HN 0.697 nan 8.230 nan 0.000 0.416 345 N N 3.066 121.668 118.700 -0.163 0.000 2.776 345 N HA -0.180 4.560 4.740 -0.000 0.000 0.249 345 N C 0.791 176.127 175.510 -0.290 0.000 1.111 345 N CA 1.432 54.116 53.050 -0.610 0.000 0.711 345 N CB -1.630 36.253 38.487 -1.007 0.000 1.065 345 N HN 1.161 nan 8.380 nan 0.000 0.556 346 G N -1.553 107.284 108.800 0.061 0.000 2.143 346 G HA2 -0.355 3.605 3.960 -0.000 0.000 0.248 346 G HA3 -0.355 3.605 3.960 -0.000 0.000 0.248 346 G C -0.192 174.769 174.900 0.101 0.000 0.991 346 G CA 0.875 46.064 45.100 0.148 0.000 0.689 346 G HN 0.523 nan 8.290 nan 0.000 0.522 347 K N 0.231 120.692 120.400 0.101 0.000 2.318 347 K HA 0.555 4.875 4.320 -0.000 0.000 0.249 347 K C -2.937 173.679 176.600 0.027 0.000 0.942 347 K CA -2.066 54.259 56.287 0.063 0.000 0.808 347 K CB 2.965 35.504 32.500 0.064 0.000 1.189 347 K HN 0.004 nan 8.250 nan 0.000 0.428 348 P HA 0.292 nan 4.420 nan 0.000 0.284 348 P C -0.323 176.953 177.300 -0.041 0.000 1.253 348 P CA -0.398 62.688 63.100 -0.023 0.000 0.800 348 P CB 0.765 32.450 31.700 -0.025 0.000 0.961 349 L N 2.614 123.809 121.223 -0.048 0.000 2.379 349 L HA 0.431 4.771 4.340 -0.000 0.000 0.269 349 L C 0.025 176.869 176.870 -0.043 0.000 1.084 349 L CA -0.947 53.864 54.840 -0.049 0.000 0.802 349 L CB 1.024 43.029 42.059 -0.091 0.000 1.175 349 L HN 0.207 nan 8.230 nan 0.000 0.448 350 L N 4.056 125.280 121.223 0.000 0.000 2.388 350 L HA 0.421 4.761 4.340 -0.000 0.000 0.267 350 L C -0.676 176.236 176.870 0.071 0.000 0.995 350 L CA -0.400 54.450 54.840 0.017 0.000 0.864 350 L CB 1.043 43.144 42.059 0.070 0.000 1.216 350 L HN 0.236 nan 8.230 nan 0.000 0.430 351 I N 4.852 125.418 120.570 -0.007 0.000 2.308 351 I HA 0.264 4.434 4.170 -0.000 0.000 0.293 351 I C 0.725 176.873 176.117 0.052 0.000 1.078 351 I CA -0.030 61.273 61.300 0.004 0.000 1.292 351 I CB 0.480 38.422 38.000 -0.096 0.000 1.423 351 I HN 0.443 nan 8.210 nan 0.000 0.493 352 R N 4.453 125.005 120.500 0.087 0.000 3.657 352 R HA 0.540 4.880 4.340 -0.000 0.000 0.220 352 R C 0.512 176.795 176.300 -0.027 0.000 1.548 352 R CA -0.225 55.889 56.100 0.023 0.000 1.465 352 R CB 0.482 30.641 30.300 -0.234 0.000 1.330 352 R HN 0.806 nan 8.270 nan 0.000 0.707 353 G N -0.554 108.215 108.800 -0.052 0.000 2.798 353 G HA2 0.583 4.543 3.960 -0.000 0.000 0.286 353 G HA3 0.583 4.543 3.960 -0.000 0.000 0.286 353 G C -1.654 173.377 174.900 0.219 0.000 1.389 353 G CA -0.455 44.661 45.100 0.028 0.000 0.894 353 G HN 0.194 nan 8.290 nan 0.000 0.488 354 V N -0.720 119.385 119.914 0.317 0.000 3.040 354 V HA 0.584 4.704 4.120 -0.000 0.000 0.312 354 V C -0.836 175.536 176.094 0.464 0.000 1.115 354 V CA -1.227 61.317 62.300 0.408 0.000 0.998 354 V CB 2.108 34.056 31.823 0.208 0.000 1.042 354 V HN 0.814 nan 8.190 nan 0.000 0.433 355 N N 3.808 122.756 118.700 0.413 0.000 2.518 355 N HA 0.535 5.275 4.740 -0.000 0.000 0.283 355 N C -0.837 174.683 175.510 0.017 0.000 1.119 355 N CA -0.566 52.655 53.050 0.284 0.000 0.983 355 N CB 1.317 40.094 38.487 0.485 0.000 1.139 355 N HN 0.647 nan 8.380 nan 0.000 0.465 356 R N 1.732 122.196 120.500 -0.060 0.000 2.508 356 R HA 0.234 4.574 4.340 -0.000 0.000 0.283 356 R C -1.361 174.817 176.300 -0.204 0.000 1.120 356 R CA -0.532 55.501 56.100 -0.111 0.000 0.958 356 R CB 0.725 30.933 30.300 -0.152 0.000 1.215 356 R HN 0.614 nan 8.270 nan 0.000 0.427 357 H N 1.436 120.403 119.070 -0.171 0.000 2.509 357 H HA 0.240 4.796 4.556 -0.000 0.000 0.360 357 H C -0.415 174.871 175.328 -0.070 0.000 1.398 357 H CA 0.045 56.043 56.048 -0.082 0.000 1.429 357 H CB 0.944 30.735 29.762 0.048 0.000 1.611 357 H HN 0.497 nan 8.280 nan 0.000 0.606 358 E N 0.468 120.778 120.200 0.183 0.000 2.121 358 E HA 0.216 4.566 4.350 -0.000 0.000 0.255 358 E C -1.109 175.548 176.600 0.095 0.000 0.906 358 E CA -0.227 56.200 56.400 0.045 0.000 0.745 358 E CB 0.806 30.500 29.700 -0.011 0.000 1.155 358 E HN 0.452 nan 8.360 nan 0.000 0.424 359 H N 1.195 120.280 119.070 0.025 0.000 2.771 359 H HA 0.323 4.879 4.556 -0.000 0.000 0.361 359 H C -1.499 173.856 175.328 0.045 0.000 1.108 359 H CA -0.731 55.335 56.048 0.030 0.000 1.201 359 H CB 1.215 30.990 29.762 0.021 0.000 1.681 359 H HN 0.383 nan 8.280 nan 0.000 0.534 360 H N 6.148 125.189 119.070 -0.048 0.000 3.018 360 H HA 0.158 4.714 4.556 -0.000 0.000 0.334 360 H C -2.345 172.934 175.328 -0.081 0.000 0.983 360 H CA -2.285 53.761 56.048 -0.004 0.000 1.363 360 H CB 2.343 32.056 29.762 -0.081 0.000 1.668 360 H HN 0.546 nan 8.280 nan 0.000 0.513 361 P HA -0.151 nan 4.420 nan 0.000 0.216 361 P C 1.485 178.800 177.300 0.025 0.000 1.150 361 P CA 0.967 64.100 63.100 0.055 0.000 0.843 361 P CB 0.811 32.470 31.700 -0.068 0.000 0.787 362 L N -1.601 119.755 121.223 0.222 0.000 2.121 362 L HA -0.022 4.318 4.340 -0.000 0.000 0.200 362 L C 2.556 179.302 176.870 -0.206 0.000 1.077 362 L CA 1.244 56.061 54.840 -0.039 0.000 0.766 362 L CB -1.052 40.897 42.059 -0.183 0.000 0.931 362 L HN 0.045 nan 8.230 nan 0.000 0.452 363 H N -0.631 118.276 119.070 -0.272 0.000 2.551 363 H HA 0.190 4.746 4.556 -0.000 0.000 0.266 363 H C 1.438 176.586 175.328 -0.301 0.000 0.977 363 H CA 0.184 55.996 56.048 -0.393 0.000 1.163 363 H CB 0.230 29.623 29.762 -0.615 0.000 1.381 363 H HN 0.484 nan 8.280 nan 0.000 0.581 364 G N 1.232 109.914 108.800 -0.197 0.000 2.588 364 G HA2 -0.399 3.561 3.960 -0.000 0.000 0.273 364 G HA3 -0.399 3.561 3.960 -0.000 0.000 0.273 364 G C 0.845 175.499 174.900 -0.410 0.000 1.211 364 G CA 0.415 45.285 45.100 -0.384 0.000 0.958 364 G HN 0.429 nan 8.290 nan 0.000 0.543 365 Q N -0.096 119.475 119.800 -0.382 0.000 2.354 365 Q HA 0.369 4.709 4.340 -0.000 0.000 0.203 365 Q C 1.211 177.058 176.000 -0.254 0.000 0.933 365 Q CA 0.484 56.051 55.803 -0.394 0.000 0.901 365 Q CB 0.499 28.856 28.738 -0.635 0.000 1.007 365 Q HN 0.422 nan 8.270 nan 0.000 0.495 366 V N 2.779 122.601 119.914 -0.153 0.000 2.452 366 V HA -0.110 4.010 4.120 -0.000 0.000 0.286 366 V C 0.574 176.653 176.094 -0.025 0.000 0.995 366 V CA 0.522 62.804 62.300 -0.029 0.000 1.116 366 V CB -0.074 31.714 31.823 -0.059 0.000 0.954 366 V HN 0.331 nan 8.190 nan 0.000 0.473 367 M N 4.622 124.219 119.600 -0.006 0.000 2.012 367 M HA 0.448 4.928 4.480 -0.000 0.000 0.248 367 M C 0.071 176.299 176.300 -0.120 0.000 1.238 367 M CA 0.064 55.316 55.300 -0.080 0.000 0.980 367 M CB 0.931 33.419 32.600 -0.186 0.000 1.346 367 M HN 0.951 nan 8.290 nan 0.000 0.511 368 D N -1.461 118.853 120.400 -0.145 0.000 2.842 368 D HA 0.050 4.690 4.640 -0.000 0.000 0.248 368 D C -0.191 176.097 176.300 -0.021 0.000 1.140 368 D CA -0.428 53.521 54.000 -0.085 0.000 0.728 368 D CB 1.053 41.843 40.800 -0.017 0.000 1.595 368 D HN 0.608 nan 8.370 nan 0.000 0.450 369 E N 0.599 120.814 120.200 0.025 0.000 2.063 369 E HA -0.318 4.032 4.350 -0.000 0.000 0.221 369 E C 1.642 178.311 176.600 0.115 0.000 1.052 369 E CA 2.208 58.666 56.400 0.096 0.000 0.891 369 E CB 0.022 29.793 29.700 0.118 0.000 0.792 369 E HN 0.474 nan 8.360 nan 0.000 0.482 370 Q N -0.555 119.310 119.800 0.108 0.000 2.007 370 Q HA -0.260 4.080 4.340 -0.000 0.000 0.214 370 Q C 2.321 178.391 176.000 0.117 0.000 1.031 370 Q CA 2.739 58.610 55.803 0.113 0.000 0.886 370 Q CB -0.838 27.968 28.738 0.113 0.000 0.992 370 Q HN 0.405 nan 8.270 nan 0.000 0.415 371 T N 1.491 116.120 114.554 0.125 0.000 2.536 371 T HA -0.276 4.074 4.350 -0.000 0.000 0.263 371 T C 1.936 176.698 174.700 0.103 0.000 1.115 371 T CA 2.014 64.185 62.100 0.119 0.000 1.180 371 T CB -0.482 68.470 68.868 0.141 0.000 0.864 371 T HN 0.234 nan 8.240 nan 0.000 0.419 372 M N 0.410 120.065 119.600 0.092 0.000 3.023 372 M HA -0.241 4.239 4.480 -0.000 0.000 0.274 372 M C 2.424 178.864 176.300 0.234 0.000 1.053 372 M CA 2.039 57.445 55.300 0.178 0.000 1.063 372 M CB -1.118 31.635 32.600 0.256 0.000 1.223 372 M HN 0.128 nan 8.290 nan 0.000 0.530 373 V N -0.129 119.909 119.914 0.206 0.000 2.280 373 V HA -0.408 3.712 4.120 -0.000 0.000 0.258 373 V C 2.249 178.359 176.094 0.026 0.000 1.081 373 V CA 2.564 64.937 62.300 0.122 0.000 1.070 373 V CB -1.260 30.647 31.823 0.140 0.000 0.666 373 V HN 0.597 nan 8.190 nan 0.000 0.450 374 Q N -0.270 119.576 119.800 0.076 0.000 1.956 374 Q HA -0.298 4.042 4.340 -0.000 0.000 0.208 374 Q C 2.181 178.236 176.000 0.092 0.000 0.998 374 Q CA 2.419 58.268 55.803 0.078 0.000 0.855 374 Q CB -0.301 28.497 28.738 0.100 0.000 0.928 374 Q HN 0.674 nan 8.270 nan 0.000 0.418 375 D N 0.424 120.904 120.400 0.133 0.000 2.204 375 D HA -0.244 4.396 4.640 -0.000 0.000 0.189 375 D C 1.912 178.159 176.300 -0.089 0.000 1.006 375 D CA 1.688 55.752 54.000 0.107 0.000 0.855 375 D CB -0.552 40.249 40.800 0.003 0.000 0.946 375 D HN 0.368 nan 8.370 nan 0.000 0.448 376 I N 0.529 121.079 120.570 -0.035 0.000 2.185 376 I HA -0.282 3.888 4.170 -0.000 0.000 0.246 376 I C 2.531 178.530 176.117 -0.197 0.000 1.088 376 I CA 0.830 62.042 61.300 -0.146 0.000 1.347 376 I CB -0.297 37.606 38.000 -0.161 0.000 1.041 376 I HN 0.110 nan 8.210 nan 0.000 0.415 377 L N 0.100 121.239 121.223 -0.140 0.000 2.141 377 L HA -0.196 4.144 4.340 -0.000 0.000 0.209 377 L C 2.531 179.429 176.870 0.047 0.000 1.094 377 L CA 1.294 56.092 54.840 -0.070 0.000 0.763 377 L CB -0.296 41.732 42.059 -0.052 0.000 0.908 377 L HN 0.326 nan 8.230 nan 0.000 0.437 378 L N -1.007 120.275 121.223 0.100 0.000 2.007 378 L HA -0.229 4.111 4.340 -0.000 0.000 0.205 378 L C 2.707 179.686 176.870 0.182 0.000 1.073 378 L CA 1.204 56.181 54.840 0.229 0.000 0.744 378 L CB -0.469 41.880 42.059 0.484 0.000 0.898 378 L HN 0.243 nan 8.230 nan 0.000 0.435 379 M N -0.224 119.334 119.600 -0.070 0.000 2.113 379 M HA -0.312 4.168 4.480 -0.000 0.000 0.255 379 M C 2.302 178.601 176.300 -0.002 0.000 1.073 379 M CA 1.947 57.096 55.300 -0.252 0.000 1.091 379 M CB -0.667 31.579 32.600 -0.590 0.000 1.309 379 M HN 0.138 nan 8.290 nan 0.000 0.407 380 K N 0.099 120.421 120.400 -0.131 0.000 2.063 380 K HA -0.217 4.103 4.320 -0.000 0.000 0.208 380 K C 2.071 178.569 176.600 -0.171 0.000 1.048 380 K CA 1.737 57.844 56.287 -0.301 0.000 0.928 380 K CB -0.309 31.824 32.500 -0.611 0.000 0.713 380 K HN 0.442 nan 8.250 nan 0.000 0.442 381 Q N 0.460 120.314 119.800 0.089 0.000 2.181 381 Q HA -0.077 4.263 4.340 -0.000 0.000 0.205 381 Q C 0.858 177.115 176.000 0.427 0.000 0.980 381 Q CA 1.107 57.094 55.803 0.307 0.000 0.862 381 Q CB 0.091 29.015 28.738 0.311 0.000 0.905 381 Q HN 0.309 nan 8.270 nan 0.000 0.429 382 N N 0.526 119.446 118.700 0.366 0.000 2.327 382 N HA 0.036 4.776 4.740 -0.000 0.000 0.231 382 N C -0.704 175.008 175.510 0.337 0.000 1.130 382 N CA -0.100 53.198 53.050 0.413 0.000 0.845 382 N CB 0.469 39.268 38.487 0.519 0.000 1.073 382 N HN 0.189 nan 8.380 nan 0.000 0.496 383 N N 0.379 119.223 118.700 0.241 0.000 2.747 383 N HA -0.172 4.568 4.740 -0.000 0.000 0.249 383 N C -1.088 174.395 175.510 -0.045 0.000 1.107 383 N CA 0.923 54.035 53.050 0.104 0.000 0.707 383 N CB -1.654 36.751 38.487 -0.137 0.000 1.054 383 N HN 0.227 nan 8.380 nan 0.000 0.555 384 F N 0.544 120.488 119.950 -0.009 0.000 2.384 384 F HA 0.338 4.865 4.527 -0.000 0.000 0.338 384 F C 1.895 177.663 175.800 -0.055 0.000 1.103 384 F CA -0.732 57.245 58.000 -0.039 0.000 1.157 384 F CB 0.683 39.641 39.000 -0.071 0.000 1.167 384 F HN -0.184 nan 8.300 nan 0.000 0.529 385 N N 1.002 119.765 118.700 0.105 0.000 2.305 385 N HA 0.317 5.057 4.740 -0.000 0.000 0.179 385 N C -0.215 175.259 175.510 -0.060 0.000 1.019 385 N CA 0.842 53.910 53.050 0.030 0.000 0.869 385 N CB 0.367 38.935 38.487 0.135 0.000 1.000 385 N HN 0.670 nan 8.380 nan 0.000 0.431 386 A N -0.893 121.950 122.820 0.037 0.000 2.566 386 A HA 0.538 4.858 4.320 -0.000 0.000 0.290 386 A C -1.455 176.205 177.584 0.127 0.000 1.071 386 A CA -0.479 51.602 52.037 0.072 0.000 0.658 386 A CB 0.726 19.868 19.000 0.235 0.000 1.285 386 A HN 0.009 nan 8.150 nan 0.000 0.427 387 V N -0.343 119.733 119.914 0.271 0.000 2.960 387 V HA 0.927 5.047 4.120 -0.000 0.000 0.315 387 V C -0.316 176.152 176.094 0.624 0.000 1.087 387 V CA -0.783 61.759 62.300 0.402 0.000 0.982 387 V CB 1.795 33.770 31.823 0.252 0.000 1.039 387 V HN 1.278 nan 8.190 nan 0.000 0.437 388 R N 3.533 124.343 120.500 0.516 0.000 2.343 388 R HA 0.484 4.824 4.340 -0.000 0.000 0.320 388 R C -0.888 175.450 176.300 0.063 0.000 0.956 388 R CA -0.466 55.697 56.100 0.104 0.000 0.836 388 R CB 1.131 31.230 30.300 -0.334 0.000 1.151 388 R HN 0.900 nan 8.270 nan 0.000 0.450 389 C N 4.427 123.739 119.300 0.019 0.000 3.329 389 C HA 0.039 4.499 4.460 -0.000 0.000 0.537 389 C C 0.630 175.479 174.990 -0.234 0.000 1.034 389 C CA -0.230 58.731 59.018 -0.095 0.000 1.086 389 C CB -2.129 25.606 27.740 -0.009 0.000 1.392 389 C HN 0.809 nan 8.230 nan 0.000 0.612 390 S N 2.981 118.528 115.700 -0.255 0.000 3.364 390 S HA -0.100 4.370 4.470 -0.000 0.000 0.398 390 S C 0.713 174.801 174.600 -0.854 0.000 1.011 390 S CA 0.575 58.583 58.200 -0.319 0.000 1.756 390 S CB -0.645 62.426 63.200 -0.215 0.000 1.100 390 S HN 0.917 nan 8.310 nan 0.000 0.613 391 H N -1.143 117.722 119.070 -0.341 0.000 3.257 391 H HA -0.194 4.362 4.556 -0.000 0.000 0.222 391 H C -0.171 175.256 175.328 0.164 0.000 1.143 391 H CA 1.457 57.472 56.048 -0.055 0.000 1.152 391 H CB -3.377 26.464 29.762 0.132 0.000 1.188 391 H HN 1.065 nan 8.280 nan 0.000 0.315 392 Y N -5.405 115.001 120.300 0.176 0.000 2.810 392 Y HA 0.680 5.229 4.550 -0.000 0.000 0.355 392 Y C -3.185 172.830 175.900 0.191 0.000 1.211 392 Y CA -2.603 55.602 58.100 0.174 0.000 1.112 392 Y CB 0.185 38.736 38.460 0.152 0.000 1.383 392 Y HN -0.170 nan 8.280 nan 0.000 0.458 393 P HA 0.282 nan 4.420 nan 0.000 0.274 393 P C -0.916 176.675 177.300 0.484 0.000 1.237 393 P CA -0.154 63.209 63.100 0.438 0.000 0.793 393 P CB 0.752 32.683 31.700 0.385 0.000 0.977 394 N N -0.491 118.500 118.700 0.486 0.000 2.563 394 N HA 0.156 4.896 4.740 -0.000 0.000 0.288 394 N C -0.371 175.453 175.510 0.524 0.000 1.246 394 N CA -0.578 52.673 53.050 0.334 0.000 0.946 394 N CB 0.526 38.961 38.487 -0.087 0.000 1.213 394 N HN 0.570 nan 8.380 nan 0.000 0.578 395 H N 2.233 121.471 119.070 0.279 0.000 2.878 395 H HA 0.106 4.662 4.556 -0.000 0.000 0.290 395 H C -1.795 173.777 175.328 0.407 0.000 1.065 395 H CA -1.522 54.702 56.048 0.293 0.000 1.477 395 H CB 0.983 30.859 29.762 0.190 0.000 1.484 395 H HN 0.412 nan 8.280 nan 0.000 0.504 396 P HA -0.341 nan 4.420 nan 0.000 0.232 396 P C 1.858 179.437 177.300 0.464 0.000 1.135 396 P CA 1.026 64.306 63.100 0.301 0.000 0.969 396 P CB 0.187 31.880 31.700 -0.011 0.000 0.777 397 L N -1.186 120.335 121.223 0.497 0.000 2.043 397 L HA -0.154 4.186 4.340 -0.000 0.000 0.212 397 L C 2.473 179.619 176.870 0.461 0.000 1.075 397 L CA 1.548 56.688 54.840 0.499 0.000 0.752 397 L CB -1.904 40.508 42.059 0.588 0.000 0.891 397 L HN 0.169 nan 8.230 nan 0.000 0.432 398 W N -0.225 121.223 121.300 0.247 0.000 2.289 398 W HA -0.426 4.234 4.660 -0.000 0.000 0.331 398 W C 2.445 178.923 176.519 -0.068 0.000 1.283 398 W CA 2.235 59.572 57.345 -0.012 0.000 1.252 398 W CB -0.602 28.693 29.460 -0.275 0.000 1.153 398 W HN 0.281 nan 8.180 nan 0.000 0.467 399 Y N 0.522 120.798 120.300 -0.041 0.000 2.151 399 Y HA -0.281 4.269 4.550 -0.000 0.000 0.284 399 Y C 2.790 178.397 175.900 -0.488 0.000 1.166 399 Y CA 2.132 59.931 58.100 -0.503 0.000 1.163 399 Y CB -1.605 36.352 38.460 -0.838 0.000 0.974 399 Y HN -0.130 nan 8.280 nan 0.000 0.511 400 T N 0.602 115.157 114.554 0.001 0.000 2.746 400 T HA -0.131 4.219 4.350 -0.000 0.000 0.267 400 T C 1.989 176.698 174.700 0.015 0.000 1.039 400 T CA 1.435 63.594 62.100 0.098 0.000 1.142 400 T CB -0.525 68.468 68.868 0.207 0.000 0.866 400 T HN 0.231 nan 8.240 nan 0.000 0.444 401 L N 0.234 121.462 121.223 0.008 0.000 2.027 401 L HA -0.080 4.260 4.340 -0.000 0.000 0.206 401 L C 2.936 179.763 176.870 -0.072 0.000 1.074 401 L CA 0.862 55.716 54.840 0.022 0.000 0.745 401 L CB -0.825 41.346 42.059 0.188 0.000 0.898 401 L HN 0.326 nan 8.230 nan 0.000 0.433 402 C N 0.216 119.306 119.300 -0.350 0.000 2.403 402 C HA -0.204 4.256 4.460 -0.000 0.000 0.277 402 C C 2.489 177.442 174.990 -0.061 0.000 1.248 402 C CA 0.975 59.755 59.018 -0.396 0.000 1.762 402 C CB -0.870 26.447 27.740 -0.705 0.000 2.014 402 C HN 0.563 nan 8.230 nan 0.000 0.486 403 D N -0.045 120.329 120.400 -0.043 0.000 2.117 403 D HA -0.083 4.557 4.640 -0.000 0.000 0.198 403 D C 2.363 178.816 176.300 0.255 0.000 0.982 403 D CA 1.150 55.205 54.000 0.091 0.000 0.828 403 D CB -0.376 40.437 40.800 0.022 0.000 0.967 403 D HN 0.507 nan 8.370 nan 0.000 0.464 404 R N -0.700 119.831 120.500 0.051 0.000 2.075 404 R HA -0.037 4.303 4.340 -0.000 0.000 0.226 404 R C 2.291 178.500 176.300 -0.152 0.000 1.114 404 R CA 0.681 56.741 56.100 -0.067 0.000 0.972 404 R CB -0.249 29.923 30.300 -0.213 0.000 0.869 404 R HN 0.209 nan 8.270 nan 0.000 0.437 405 Y N -0.459 119.876 120.300 0.058 0.000 2.184 405 Y HA 0.102 4.652 4.550 -0.000 0.000 0.290 405 Y C 1.392 177.260 175.900 -0.053 0.000 1.129 405 Y CA 1.355 59.464 58.100 0.015 0.000 1.144 405 Y CB 0.040 38.478 38.460 -0.037 0.000 0.995 405 Y HN 0.279 nan 8.280 nan 0.000 0.513 406 G N 0.026 108.866 108.800 0.066 0.000 2.678 406 G HA2 -0.066 3.894 3.960 -0.000 0.000 0.175 406 G HA3 -0.066 3.894 3.960 -0.000 0.000 0.175 406 G C -0.911 173.848 174.900 -0.235 0.000 1.078 406 G CA -0.654 44.360 45.100 -0.144 0.000 0.864 406 G HN 0.086 nan 8.290 nan 0.000 0.521 407 L N 0.339 121.509 121.223 -0.088 0.000 2.342 407 L HA 0.572 4.912 4.340 -0.000 0.000 0.271 407 L C -0.132 176.702 176.870 -0.060 0.000 1.008 407 L CA -1.270 53.449 54.840 -0.202 0.000 0.818 407 L CB 1.637 43.565 42.059 -0.219 0.000 1.296 407 L HN 0.221 nan 8.230 nan 0.000 0.427 408 Y N 1.643 122.034 120.300 0.151 0.000 2.359 408 Y HA 0.326 4.876 4.550 -0.000 0.000 0.334 408 Y C 0.396 176.381 175.900 0.142 0.000 1.058 408 Y CA -0.574 57.639 58.100 0.189 0.000 1.244 408 Y CB 0.838 39.406 38.460 0.179 0.000 1.187 408 Y HN 0.108 nan 8.280 nan 0.000 0.510 409 V N 3.931 123.990 119.914 0.242 0.000 2.769 409 V HA 0.564 4.684 4.120 -0.000 0.000 0.312 409 V C -0.340 175.827 176.094 0.121 0.000 1.058 409 V CA -1.125 61.273 62.300 0.163 0.000 0.952 409 V CB 2.155 34.016 31.823 0.064 0.000 1.019 409 V HN 0.433 nan 8.190 nan 0.000 0.445 410 V N 1.816 121.794 119.914 0.106 0.000 2.459 410 V HA 0.408 4.528 4.120 -0.000 0.000 0.295 410 V C -0.414 175.708 176.094 0.047 0.000 1.029 410 V CA -0.507 61.792 62.300 -0.002 0.000 0.874 410 V CB 1.753 33.507 31.823 -0.115 0.000 0.985 410 V HN 0.875 nan 8.190 nan 0.000 0.438 411 D N 3.476 123.909 120.400 0.054 0.000 2.175 411 D HA 0.391 5.031 4.640 -0.000 0.000 0.248 411 D C -0.495 175.944 176.300 0.232 0.000 1.047 411 D CA -0.070 54.069 54.000 0.231 0.000 0.883 411 D CB 2.041 43.064 40.800 0.371 0.000 1.180 411 D HN 0.686 nan 8.370 nan 0.000 0.438 412 E N 0.860 121.198 120.200 0.230 0.000 2.246 412 E HA 0.511 4.861 4.350 -0.000 0.000 0.266 412 E C -1.342 175.397 176.600 0.231 0.000 0.880 412 E CA -0.947 55.572 56.400 0.199 0.000 0.762 412 E CB 1.586 31.354 29.700 0.113 0.000 1.180 412 E HN 0.403 nan 8.360 nan 0.000 0.416 413 A N 4.398 127.355 122.820 0.227 0.000 2.515 413 A HA 0.012 4.332 4.320 -0.000 0.000 0.263 413 A C 0.484 178.200 177.584 0.220 0.000 1.096 413 A CA -0.195 51.965 52.037 0.206 0.000 0.769 413 A CB -0.116 18.980 19.000 0.160 0.000 1.040 413 A HN 0.664 nan 8.150 nan 0.000 0.505 414 N N 2.710 121.559 118.700 0.248 0.000 2.453 414 N HA 0.028 4.768 4.740 -0.000 0.000 0.302 414 N C -0.748 174.892 175.510 0.218 0.000 1.241 414 N CA 0.753 53.971 53.050 0.281 0.000 1.129 414 N CB -0.958 37.691 38.487 0.269 0.000 1.482 414 N HN 0.529 nan 8.380 nan 0.000 0.494 415 I N 0.628 121.327 120.570 0.215 0.000 2.649 415 I HA 0.256 4.426 4.170 -0.000 0.000 0.289 415 I C -0.696 175.531 176.117 0.183 0.000 1.222 415 I CA -0.736 60.670 61.300 0.177 0.000 1.046 415 I CB 2.167 40.248 38.000 0.133 0.000 1.272 415 I HN 0.188 nan 8.210 nan 0.000 0.425 416 E N 3.249 123.553 120.200 0.174 0.000 2.321 416 E HA 0.465 4.815 4.350 -0.000 0.000 0.281 416 E C -0.658 176.029 176.600 0.145 0.000 0.910 416 E CA -0.487 56.004 56.400 0.152 0.000 0.770 416 E CB 1.844 31.653 29.700 0.182 0.000 1.225 416 E HN 0.640 nan 8.360 nan 0.000 0.417 417 T N 0.955 115.580 114.554 0.118 0.000 3.460 417 T HA 0.143 4.493 4.350 -0.000 0.000 0.304 417 T C 0.954 175.728 174.700 0.124 0.000 0.991 417 T CA 0.118 62.312 62.100 0.157 0.000 0.975 417 T CB -0.423 68.503 68.868 0.097 0.000 1.196 417 T HN 0.686 nan 8.240 nan 0.000 0.490 418 H N 1.574 120.603 119.070 -0.069 0.000 2.266 418 H HA -0.162 4.394 4.556 -0.000 0.000 0.286 418 H C 2.214 177.427 175.328 -0.192 0.000 1.102 418 H CA 1.791 57.753 56.048 -0.144 0.000 1.182 418 H CB -0.484 29.159 29.762 -0.198 0.000 1.345 418 H HN 0.545 nan 8.280 nan 0.000 0.485 419 G N 0.692 109.359 108.800 -0.223 0.000 2.894 419 G HA2 -0.096 3.864 3.960 -0.000 0.000 0.203 419 G HA3 -0.096 3.864 3.960 -0.000 0.000 0.203 419 G C 0.307 175.245 174.900 0.064 0.000 1.173 419 G CA 0.090 44.980 45.100 -0.349 0.000 0.854 419 G HN 0.188 nan 8.290 nan 0.000 0.510 420 M N -0.584 119.110 119.600 0.157 0.000 2.369 420 M HA 0.479 4.959 4.480 -0.000 0.000 0.291 420 M C -0.419 175.933 176.300 0.087 0.000 1.178 420 M CA -0.668 54.744 55.300 0.187 0.000 0.996 420 M CB 1.688 34.374 32.600 0.143 0.000 1.472 420 M HN -0.207 nan 8.290 nan 0.000 0.496 421 V N 2.197 122.146 119.914 0.058 0.000 2.509 421 V HA 0.312 4.432 4.120 -0.000 0.000 0.289 421 V C -2.237 173.867 176.094 0.017 0.000 1.026 421 V CA -1.261 61.056 62.300 0.029 0.000 0.872 421 V CB 1.792 33.627 31.823 0.020 0.000 1.017 421 V HN 0.702 nan 8.190 nan 0.000 0.436 422 P HA 0.385 nan 4.420 nan 0.000 0.274 422 P C 1.286 178.600 177.300 0.023 0.000 1.256 422 P CA -0.592 62.517 63.100 0.015 0.000 0.795 422 P CB 0.612 32.322 31.700 0.016 0.000 1.038 423 M N -0.472 119.143 119.600 0.025 0.000 2.108 423 M HA -0.286 4.194 4.480 -0.000 0.000 0.257 423 M C 1.791 178.112 176.300 0.035 0.000 1.071 423 M CA 2.017 57.338 55.300 0.036 0.000 1.093 423 M CB -1.204 31.405 32.600 0.016 0.000 1.345 423 M HN 0.423 nan 8.290 nan 0.000 0.403 424 N N 0.322 119.047 118.700 0.041 0.000 2.161 424 N HA -0.298 4.442 4.740 -0.000 0.000 0.199 424 N C 1.576 177.081 175.510 -0.008 0.000 0.990 424 N CA 2.154 55.225 53.050 0.035 0.000 0.902 424 N CB -0.172 38.333 38.487 0.031 0.000 1.074 424 N HN 0.265 nan 8.380 nan 0.000 0.556 425 R N 0.130 120.618 120.500 -0.020 0.000 2.335 425 R HA -0.273 4.067 4.340 -0.000 0.000 0.224 425 R C 2.095 178.337 176.300 -0.097 0.000 1.071 425 R CA 2.372 58.442 56.100 -0.050 0.000 0.786 425 R CB -0.665 29.599 30.300 -0.061 0.000 0.969 425 R HN 0.304 nan 8.270 nan 0.000 0.375 426 L N -0.766 120.323 121.223 -0.223 0.000 2.131 426 L HA -0.086 4.254 4.340 -0.000 0.000 0.206 426 L C 2.607 179.388 176.870 -0.148 0.000 1.087 426 L CA 1.807 56.402 54.840 -0.409 0.000 0.767 426 L CB -0.844 40.746 42.059 -0.781 0.000 0.917 426 L HN 0.600 nan 8.230 nan 0.000 0.441 427 T N -4.363 110.122 114.554 -0.115 0.000 2.951 427 T HA -0.165 4.185 4.350 -0.000 0.000 0.268 427 T C 1.444 176.074 174.700 -0.117 0.000 1.073 427 T CA 1.135 63.153 62.100 -0.136 0.000 1.134 427 T CB -0.195 68.580 68.868 -0.155 0.000 0.884 427 T HN 0.076 nan 8.240 nan 0.000 0.479 428 D N 1.424 121.793 120.400 -0.052 0.000 2.317 428 D HA 0.028 4.668 4.640 -0.000 0.000 0.211 428 D C 0.369 176.666 176.300 -0.005 0.000 0.966 428 D CA 0.328 54.304 54.000 -0.039 0.000 0.876 428 D CB -0.413 40.376 40.800 -0.020 0.000 0.927 428 D HN 0.347 nan 8.370 nan 0.000 0.519 429 D N 0.110 120.539 120.400 0.048 0.000 2.359 429 D HA 0.003 4.643 4.640 -0.000 0.000 0.250 429 D C -1.495 174.859 176.300 0.090 0.000 1.264 429 D CA -1.874 52.201 54.000 0.124 0.000 0.911 429 D CB 1.365 42.374 40.800 0.348 0.000 1.056 429 D HN 0.040 nan 8.370 nan 0.000 0.499 430 P HA -0.256 nan 4.420 nan 0.000 0.219 430 P C 1.136 178.404 177.300 -0.053 0.000 1.161 430 P CA 1.472 64.559 63.100 -0.020 0.000 0.909 430 P CB 0.129 31.810 31.700 -0.032 0.000 0.793 431 R N -1.619 118.825 120.500 -0.093 0.000 2.174 431 R HA -0.185 4.155 4.340 -0.000 0.000 0.253 431 R C 2.327 178.384 176.300 -0.404 0.000 1.165 431 R CA 1.969 57.916 56.100 -0.256 0.000 0.984 431 R CB -1.160 28.957 30.300 -0.306 0.000 0.873 431 R HN 0.361 nan 8.270 nan 0.000 0.456 432 W N -0.220 121.024 121.300 -0.094 0.000 2.640 432 W HA 0.086 4.746 4.660 -0.000 0.000 0.268 432 W C 1.805 178.263 176.519 -0.101 0.000 1.263 432 W CA -0.435 56.852 57.345 -0.098 0.000 1.344 432 W CB -0.277 29.121 29.460 -0.102 0.000 1.093 432 W HN 0.005 nan 8.180 nan 0.000 0.603 433 L N 2.354 123.601 121.223 0.039 0.000 2.054 433 L HA -0.220 4.120 4.340 -0.000 0.000 0.220 433 L C -0.603 176.234 176.870 -0.056 0.000 1.081 433 L CA 2.454 57.276 54.840 -0.030 0.000 0.780 433 L CB -2.125 39.905 42.059 -0.049 0.000 0.893 433 L HN -0.137 nan 8.230 nan 0.000 0.438 434 P HA -0.136 nan 4.420 nan 0.000 0.215 434 P C 1.650 178.913 177.300 -0.062 0.000 1.157 434 P CA 2.267 65.317 63.100 -0.083 0.000 0.868 434 P CB -0.285 31.354 31.700 -0.102 0.000 0.788 435 A N 0.430 123.238 122.820 -0.020 0.000 1.834 435 A HA -0.231 4.089 4.320 -0.000 0.000 0.216 435 A C 2.309 179.917 177.584 0.041 0.000 1.203 435 A CA 2.818 54.883 52.037 0.048 0.000 0.621 435 A CB -1.670 17.435 19.000 0.176 0.000 0.841 435 A HN 0.072 nan 8.150 nan 0.000 0.446 436 M N 0.071 119.703 119.600 0.053 0.000 2.082 436 M HA -0.194 4.286 4.480 -0.000 0.000 0.258 436 M C 2.488 178.748 176.300 -0.067 0.000 1.069 436 M CA 2.055 57.357 55.300 0.004 0.000 1.102 436 M CB -1.186 31.388 32.600 -0.043 0.000 1.336 436 M HN 0.632 nan 8.290 nan 0.000 0.404 437 S N 0.745 116.377 115.700 -0.112 0.000 2.381 437 S HA -0.242 4.228 4.470 -0.000 0.000 0.230 437 S C 1.769 176.225 174.600 -0.240 0.000 1.052 437 S CA 2.044 60.115 58.200 -0.215 0.000 1.068 437 S CB -0.466 62.605 63.200 -0.213 0.000 0.918 437 S HN 0.546 nan 8.310 nan 0.000 0.448 438 E N 0.407 120.521 120.200 -0.144 0.000 2.118 438 E HA -0.171 4.179 4.350 -0.000 0.000 0.195 438 E C 2.438 178.978 176.600 -0.101 0.000 0.992 438 E CA 1.191 57.520 56.400 -0.120 0.000 0.804 438 E CB -0.164 29.499 29.700 -0.062 0.000 0.741 438 E HN 0.550 nan 8.360 nan 0.000 0.458 439 R N 0.207 120.671 120.500 -0.060 0.000 2.080 439 R HA -0.142 4.198 4.340 -0.000 0.000 0.236 439 R C 2.496 178.770 176.300 -0.042 0.000 1.137 439 R CA 1.408 57.500 56.100 -0.013 0.000 0.943 439 R CB -0.551 29.770 30.300 0.035 0.000 0.846 439 R HN 0.019 nan 8.270 nan 0.000 0.431 440 V N 0.631 120.480 119.914 -0.107 0.000 2.261 440 V HA -0.268 3.852 4.120 -0.000 0.000 0.246 440 V C 2.328 178.295 176.094 -0.212 0.000 1.047 440 V CA 2.362 64.587 62.300 -0.124 0.000 1.015 440 V CB -1.079 30.659 31.823 -0.142 0.000 0.642 440 V HN 0.575 nan 8.190 nan 0.000 0.446 441 T N -0.570 113.730 114.554 -0.423 0.000 2.746 441 T HA -0.218 4.132 4.350 -0.000 0.000 0.267 441 T C 1.943 176.549 174.700 -0.156 0.000 1.039 441 T CA 1.284 63.104 62.100 -0.467 0.000 1.142 441 T CB -0.390 68.093 68.868 -0.641 0.000 0.866 441 T HN 0.392 nan 8.240 nan 0.000 0.444 442 R N 0.248 120.672 120.500 -0.126 0.000 2.115 442 R HA 0.159 4.499 4.340 -0.000 0.000 0.226 442 R C 2.580 178.856 176.300 -0.040 0.000 1.100 442 R CA 0.987 57.050 56.100 -0.063 0.000 0.980 442 R CB -0.483 29.788 30.300 -0.049 0.000 0.875 442 R HN 0.457 nan 8.270 nan 0.000 0.445 443 M N 0.925 120.513 119.600 -0.020 0.000 2.064 443 M HA -0.162 4.318 4.480 -0.000 0.000 0.260 443 M C 2.096 178.389 176.300 -0.011 0.000 1.073 443 M CA 1.753 57.076 55.300 0.038 0.000 1.124 443 M CB -0.137 32.537 32.600 0.123 0.000 1.326 443 M HN -0.073 nan 8.290 nan 0.000 0.410 444 V N 1.043 120.868 119.914 -0.148 0.000 2.250 444 V HA -0.377 3.743 4.120 -0.000 0.000 0.253 444 V C 2.259 178.244 176.094 -0.182 0.000 1.065 444 V CA 2.488 64.555 62.300 -0.387 0.000 1.039 444 V CB -1.211 30.438 31.823 -0.289 0.000 0.647 444 V HN 0.609 nan 8.190 nan 0.000 0.446 445 Q N -1.244 118.508 119.800 -0.080 0.000 2.291 445 Q HA -0.194 4.146 4.340 -0.000 0.000 0.206 445 Q C 2.455 178.406 176.000 -0.080 0.000 0.976 445 Q CA 1.490 57.265 55.803 -0.045 0.000 0.875 445 Q CB -0.084 28.669 28.738 0.025 0.000 0.927 445 Q HN 0.561 nan 8.270 nan 0.000 0.450 446 R N -0.228 120.219 120.500 -0.088 0.000 2.142 446 R HA -0.048 4.292 4.340 -0.000 0.000 0.204 446 R C 1.048 177.278 176.300 -0.116 0.000 1.059 446 R CA 0.957 56.983 56.100 -0.124 0.000 1.055 446 R CB 0.359 30.583 30.300 -0.126 0.000 0.976 446 R HN 0.262 nan 8.270 nan 0.000 0.483 447 D N 1.272 121.663 120.400 -0.015 0.000 2.091 447 D HA -0.205 4.435 4.640 -0.000 0.000 0.199 447 D C 1.757 178.139 176.300 0.136 0.000 0.980 447 D CA 1.247 55.301 54.000 0.091 0.000 0.831 447 D CB -0.410 40.407 40.800 0.028 0.000 0.987 447 D HN 0.214 nan 8.370 nan 0.000 0.460 448 R N 1.460 122.109 120.500 0.248 0.000 2.489 448 R HA -0.276 4.064 4.340 -0.000 0.000 0.239 448 R C 1.049 177.320 176.300 -0.048 0.000 0.966 448 R CA 2.244 58.425 56.100 0.135 0.000 0.898 448 R CB -0.751 29.453 30.300 -0.160 0.000 0.879 448 R HN 0.093 nan 8.270 nan 0.000 0.461 449 N N 0.044 118.617 118.700 -0.211 0.000 2.314 449 N HA 0.001 4.741 4.740 -0.000 0.000 0.200 449 N C -0.647 174.706 175.510 -0.262 0.000 1.135 449 N CA 0.288 53.172 53.050 -0.277 0.000 0.835 449 N CB 0.135 38.381 38.487 -0.402 0.000 0.989 449 N HN 0.349 nan 8.380 nan 0.000 0.478 450 H N 1.026 120.020 119.070 -0.126 0.000 2.761 450 H HA 0.151 4.707 4.556 -0.000 0.000 0.284 450 H C -1.281 173.907 175.328 -0.233 0.000 1.105 450 H CA -1.754 54.204 56.048 -0.150 0.000 1.352 450 H CB 1.492 31.201 29.762 -0.089 0.000 1.423 450 H HN 0.037 nan 8.280 nan 0.000 0.464 451 P HA -0.247 nan 4.420 nan 0.000 0.211 451 P C 1.763 178.751 177.300 -0.521 0.000 1.181 451 P CA 2.298 65.116 63.100 -0.470 0.000 0.929 451 P CB 0.018 31.172 31.700 -0.910 0.000 0.789 452 S N -0.729 114.486 115.700 -0.808 0.000 2.468 452 S HA -0.201 4.269 4.470 -0.000 0.000 0.261 452 S C 1.032 175.602 174.600 -0.049 0.000 1.127 452 S CA 1.563 59.578 58.200 -0.308 0.000 1.092 452 S CB -2.092 61.037 63.200 -0.118 0.000 0.945 452 S HN 0.013 nan 8.310 nan 0.000 0.463 453 V N 3.234 123.097 119.914 -0.085 0.000 2.572 453 V HA 0.306 4.426 4.120 -0.000 0.000 0.291 453 V C 1.147 177.120 176.094 -0.201 0.000 1.039 453 V CA 0.650 62.876 62.300 -0.124 0.000 1.055 453 V CB 0.788 32.485 31.823 -0.211 0.000 0.969 453 V HN 0.685 nan 8.190 nan 0.000 0.482 454 I N 2.431 122.877 120.570 -0.207 0.000 4.779 454 I HA 0.479 4.649 4.170 -0.000 0.000 0.339 454 I C 0.087 176.046 176.117 -0.264 0.000 1.293 454 I CA 0.250 61.437 61.300 -0.188 0.000 1.324 454 I CB 0.637 38.601 38.000 -0.060 0.000 1.424 454 I HN 0.312 nan 8.210 nan 0.000 0.489 455 I N 0.643 121.002 120.570 -0.352 0.000 2.802 455 I HA 0.370 4.540 4.170 -0.000 0.000 0.298 455 I C -1.713 174.171 176.117 -0.387 0.000 1.176 455 I CA -0.400 60.728 61.300 -0.287 0.000 1.025 455 I CB 2.107 40.044 38.000 -0.105 0.000 1.243 455 I HN 0.034 nan 8.210 nan 0.000 0.424 456 W N 2.934 124.283 121.300 0.081 0.000 2.478 456 W HA 0.528 5.188 4.660 -0.000 0.000 0.318 456 W C 0.313 176.887 176.519 0.093 0.000 1.062 456 W CA -0.706 56.699 57.345 0.099 0.000 1.210 456 W CB 1.643 31.177 29.460 0.123 0.000 1.325 456 W HN 0.269 nan 8.180 nan 0.000 0.496 457 S N 2.846 118.729 115.700 0.306 0.000 2.449 457 S HA 0.364 4.834 4.470 -0.000 0.000 0.310 457 S C 0.688 175.437 174.600 0.248 0.000 1.096 457 S CA -0.652 57.676 58.200 0.214 0.000 1.095 457 S CB 0.564 63.831 63.200 0.111 0.000 1.007 457 S HN 0.574 nan 8.310 nan 0.000 0.474 458 L N 4.287 125.662 121.223 0.252 0.000 2.622 458 L HA 0.252 4.592 4.340 -0.000 0.000 0.233 458 L C 1.482 178.464 176.870 0.187 0.000 1.156 458 L CA 0.513 55.468 54.840 0.191 0.000 0.866 458 L CB -1.042 41.066 42.059 0.082 0.000 0.980 458 L HN 0.941 nan 8.230 nan 0.000 0.448 459 G N -0.306 108.631 108.800 0.227 0.000 2.204 459 G HA2 -0.138 3.821 3.960 -0.000 0.000 0.153 459 G HA3 -0.138 3.821 3.960 -0.000 0.000 0.153 459 G C -1.431 173.530 174.900 0.101 0.000 1.295 459 G CA -0.472 44.741 45.100 0.188 0.000 1.257 459 G HN 0.176 nan 8.290 nan 0.000 0.495 460 N N 0.909 119.661 118.700 0.088 0.000 2.446 460 N HA 0.433 5.173 4.740 -0.000 0.000 0.272 460 N C -0.369 175.096 175.510 -0.075 0.000 1.127 460 N CA 0.143 53.108 53.050 -0.143 0.000 0.896 460 N CB 1.575 39.731 38.487 -0.552 0.000 1.658 460 N HN 0.841 nan 8.380 nan 0.000 0.483 461 E N 0.195 120.255 120.200 -0.234 0.000 1.948 461 E HA -0.245 4.105 4.350 -0.000 0.000 0.176 461 E C -0.397 176.108 176.600 -0.158 0.000 1.347 461 E CA 0.629 56.837 56.400 -0.320 0.000 0.652 461 E CB -1.414 27.885 29.700 -0.667 0.000 1.039 461 E HN 0.356 nan 8.360 nan 0.000 0.304 462 S N -0.407 115.343 115.700 0.084 0.000 2.511 462 S HA 0.334 4.804 4.470 -0.000 0.000 0.214 462 S C 0.914 175.638 174.600 0.207 0.000 0.997 462 S CA 0.180 58.483 58.200 0.173 0.000 0.908 462 S CB 1.150 64.508 63.200 0.263 0.000 0.803 462 S HN 0.892 nan 8.310 nan 0.000 0.504 463 G N 1.156 110.078 108.800 0.203 0.000 2.416 463 G HA2 -0.138 3.822 3.960 -0.000 0.000 0.203 463 G HA3 -0.138 3.822 3.960 -0.000 0.000 0.203 463 G C -0.808 174.266 174.900 0.289 0.000 1.227 463 G CA -0.606 44.600 45.100 0.177 0.000 1.041 463 G HN 0.419 nan 8.290 nan 0.000 0.546 464 H N 0.852 120.015 119.070 0.155 0.000 2.791 464 H HA 0.555 5.111 4.556 -0.000 0.000 0.272 464 H C 0.362 175.854 175.328 0.275 0.000 1.188 464 H CA 0.165 56.314 56.048 0.169 0.000 1.436 464 H CB 0.182 30.011 29.762 0.110 0.000 1.467 464 H HN 1.019 nan 8.280 nan 0.000 0.500 465 G N 1.389 110.412 108.800 0.372 0.000 2.389 465 G HA2 0.407 4.367 3.960 -0.000 0.000 0.328 465 G HA3 0.407 4.367 3.960 -0.000 0.000 0.328 465 G C 0.843 175.625 174.900 -0.196 0.000 1.133 465 G CA -0.052 45.032 45.100 -0.026 0.000 0.891 465 G HN 0.664 nan 8.290 nan 0.000 0.485 466 A N 1.778 124.487 122.820 -0.185 0.000 2.076 466 A HA -0.124 4.196 4.320 -0.000 0.000 0.220 466 A C 2.121 179.651 177.584 -0.090 0.000 1.160 466 A CA 1.755 53.719 52.037 -0.122 0.000 0.653 466 A CB -0.351 18.611 19.000 -0.063 0.000 0.801 466 A HN 0.594 nan 8.150 nan 0.000 0.455 467 N N -0.383 118.218 118.700 -0.164 0.000 2.289 467 N HA -0.105 4.635 4.740 -0.000 0.000 0.184 467 N C 1.286 176.673 175.510 -0.206 0.000 1.016 467 N CA 1.548 54.483 53.050 -0.191 0.000 0.872 467 N CB -0.564 37.785 38.487 -0.229 0.000 0.973 467 N HN 0.784 nan 8.380 nan 0.000 0.433 468 H N 0.416 119.430 119.070 -0.093 0.000 2.270 468 H HA -0.055 4.501 4.556 -0.000 0.000 0.299 468 H C 1.279 176.658 175.328 0.085 0.000 1.077 468 H CA 1.552 57.552 56.048 -0.081 0.000 1.294 468 H CB -0.037 29.637 29.762 -0.148 0.000 1.371 468 H HN 0.149 nan 8.280 nan 0.000 0.491 469 D N 0.623 121.181 120.400 0.263 0.000 2.154 469 D HA -0.260 4.380 4.640 -0.000 0.000 0.190 469 D C 2.308 178.755 176.300 0.245 0.000 1.003 469 D CA 1.444 55.631 54.000 0.311 0.000 0.849 469 D CB -0.798 40.140 40.800 0.231 0.000 0.942 469 D HN 0.457 nan 8.370 nan 0.000 0.446 470 A N 0.600 123.500 122.820 0.134 0.000 1.869 470 A HA -0.209 4.111 4.320 -0.000 0.000 0.218 470 A C 2.405 180.072 177.584 0.138 0.000 1.203 470 A CA 1.780 53.876 52.037 0.099 0.000 0.638 470 A CB -1.016 18.006 19.000 0.037 0.000 0.831 470 A HN 0.269 nan 8.150 nan 0.000 0.450 471 L N -2.003 119.294 121.223 0.123 0.000 2.291 471 L HA -0.087 4.253 4.340 -0.000 0.000 0.214 471 L C 2.419 179.446 176.870 0.261 0.000 1.120 471 L CA 1.061 55.991 54.840 0.150 0.000 0.799 471 L CB -0.615 41.458 42.059 0.023 0.000 0.925 471 L HN 0.588 nan 8.230 nan 0.000 0.446 472 Y N 0.645 121.026 120.300 0.134 0.000 2.109 472 Y HA -0.172 4.378 4.550 -0.000 0.000 0.285 472 Y C 2.789 178.768 175.900 0.132 0.000 1.131 472 Y CA 1.287 59.471 58.100 0.140 0.000 1.121 472 Y CB -0.314 38.227 38.460 0.135 0.000 0.987 472 Y HN -0.062 nan 8.280 nan 0.000 0.495 473 R N 0.202 120.629 120.500 -0.121 0.000 2.132 473 R HA -0.296 4.044 4.340 -0.000 0.000 0.233 473 R C 2.167 178.404 176.300 -0.105 0.000 1.125 473 R CA 2.191 58.162 56.100 -0.215 0.000 0.914 473 R CB -1.976 28.286 30.300 -0.064 0.000 0.845 473 R HN 0.660 nan 8.270 nan 0.000 0.431 474 W N 1.334 122.567 121.300 -0.111 0.000 2.235 474 W HA -0.314 4.346 4.660 -0.000 0.000 0.330 474 W C 2.051 178.495 176.519 -0.127 0.000 1.329 474 W CA 2.826 60.112 57.345 -0.098 0.000 1.337 474 W CB -0.554 28.861 29.460 -0.075 0.000 1.115 474 W HN 0.218 nan 8.180 nan 0.000 0.491 475 I N -0.109 120.466 120.570 0.009 0.000 2.252 475 I HA -0.299 3.871 4.170 -0.000 0.000 0.245 475 I C 2.436 178.391 176.117 -0.271 0.000 1.102 475 I CA 1.210 62.405 61.300 -0.175 0.000 1.385 475 I CB -0.971 37.042 38.000 0.023 0.000 1.064 475 I HN -0.113 nan 8.210 nan 0.000 0.414 476 K N 1.477 121.747 120.400 -0.217 0.000 2.034 476 K HA -0.161 4.159 4.320 -0.000 0.000 0.214 476 K C 2.305 178.774 176.600 -0.218 0.000 1.051 476 K CA 2.008 58.167 56.287 -0.213 0.000 0.931 476 K CB -0.889 31.411 32.500 -0.333 0.000 0.715 476 K HN 0.350 nan 8.250 nan 0.000 0.446 477 S N 0.763 116.289 115.700 -0.290 0.000 2.345 477 S HA -0.094 4.376 4.470 -0.000 0.000 0.220 477 S C 2.315 176.682 174.600 -0.389 0.000 1.031 477 S CA 1.554 59.569 58.200 -0.308 0.000 0.996 477 S CB -0.628 62.380 63.200 -0.321 0.000 0.882 477 S HN 0.056 nan 8.310 nan 0.000 0.445 478 V N 1.469 120.996 119.914 -0.645 0.000 2.379 478 V HA 0.021 4.141 4.120 -0.000 0.000 0.245 478 V C 0.696 176.552 176.094 -0.396 0.000 1.044 478 V CA 1.314 63.228 62.300 -0.644 0.000 1.036 478 V CB -0.554 30.592 31.823 -1.129 0.000 0.664 478 V HN 0.400 nan 8.190 nan 0.000 0.453 479 D N 0.490 120.686 120.400 -0.340 0.000 2.473 479 D HA 0.296 4.936 4.640 -0.000 0.000 0.253 479 D C -2.499 173.780 176.300 -0.035 0.000 1.233 479 D CA -1.976 51.938 54.000 -0.145 0.000 0.908 479 D CB 2.424 43.180 40.800 -0.073 0.000 1.170 479 D HN 0.139 nan 8.370 nan 0.000 0.558 480 P HA 0.112 nan 4.420 nan 0.000 0.280 480 P C 0.788 178.121 177.300 0.054 0.000 1.431 480 P CA -0.026 63.078 63.100 0.008 0.000 1.058 480 P CB 0.615 32.295 31.700 -0.032 0.000 1.521 481 S N -0.215 115.534 115.700 0.082 0.000 2.496 481 S HA 0.135 4.605 4.470 -0.000 0.000 0.224 481 S C 0.812 175.476 174.600 0.107 0.000 0.996 481 S CA 0.007 58.260 58.200 0.088 0.000 0.927 481 S CB -0.216 63.027 63.200 0.071 0.000 0.774 481 S HN 0.035 nan 8.310 nan 0.000 0.524 482 R N 1.051 121.656 120.500 0.174 0.000 2.686 482 R HA 0.557 4.897 4.340 -0.000 0.000 0.283 482 R C -3.067 173.348 176.300 0.192 0.000 0.978 482 R CA -2.237 53.939 56.100 0.128 0.000 0.897 482 R CB 1.769 32.094 30.300 0.042 0.000 1.192 482 R HN 0.174 nan 8.270 nan 0.000 0.457 483 P HA 0.171 nan 4.420 nan 0.000 0.274 483 P C -0.845 176.588 177.300 0.222 0.000 1.246 483 P CA -0.477 62.711 63.100 0.146 0.000 0.795 483 P CB 0.765 32.509 31.700 0.073 0.000 1.006 484 V N 2.020 122.098 119.914 0.273 0.000 2.448 484 V HA 0.379 4.499 4.120 -0.000 0.000 0.295 484 V C 0.038 176.221 176.094 0.149 0.000 1.025 484 V CA -0.295 62.197 62.300 0.320 0.000 0.859 484 V CB 1.236 33.373 31.823 0.523 0.000 0.988 484 V HN 0.632 nan 8.190 nan 0.000 0.431 485 Q N 4.262 124.129 119.800 0.113 0.000 2.394 485 Q HA 0.795 5.135 4.340 -0.000 0.000 0.273 485 Q C -1.567 174.483 176.000 0.082 0.000 1.089 485 Q CA -0.949 54.863 55.803 0.016 0.000 0.812 485 Q CB 2.774 31.473 28.738 -0.064 0.000 1.353 485 Q HN 0.658 nan 8.270 nan 0.000 0.438 486 Y N 0.927 121.134 120.300 -0.156 0.000 2.275 486 Y HA 0.167 4.717 4.550 -0.000 0.000 0.319 486 Y C -0.135 175.630 175.900 -0.225 0.000 1.204 486 Y CA -0.665 57.330 58.100 -0.174 0.000 1.136 486 Y CB 1.881 40.244 38.460 -0.162 0.000 1.228 486 Y HN 0.970 nan 8.280 nan 0.000 0.413 487 E N 3.857 123.520 120.200 -0.895 0.000 2.112 487 E HA 0.059 4.409 4.350 -0.000 0.000 0.190 487 E C 0.882 176.987 176.600 -0.826 0.000 0.979 487 E CA 1.062 57.031 56.400 -0.718 0.000 0.814 487 E CB -0.040 29.356 29.700 -0.508 0.000 0.762 487 E HN 0.903 nan 8.360 nan 0.000 0.460 488 G N -0.417 107.546 108.800 -1.394 0.000 2.818 488 G HA2 0.121 4.081 3.960 -0.000 0.000 0.235 488 G HA3 0.121 4.081 3.960 -0.000 0.000 0.235 488 G C 0.948 175.665 174.900 -0.306 0.000 1.244 488 G CA 0.701 45.352 45.100 -0.748 0.000 0.853 488 G HN 0.503 nan 8.290 nan 0.000 0.596 489 G N -1.059 107.686 108.800 -0.091 0.000 2.196 489 G HA2 0.175 4.135 3.960 -0.000 0.000 0.268 489 G HA3 0.175 4.135 3.960 -0.000 0.000 0.268 489 G C 1.316 176.196 174.900 -0.033 0.000 0.975 489 G CA 1.359 46.467 45.100 0.013 0.000 0.648 489 G HN 2.610 nan 8.290 nan 0.000 0.538 490 G N -1.719 107.039 108.800 -0.070 0.000 2.834 490 G HA2 0.460 4.420 3.960 -0.000 0.000 0.217 490 G HA3 0.460 4.420 3.960 -0.000 0.000 0.217 490 G C 1.155 176.083 174.900 0.046 0.000 0.974 490 G CA 1.156 46.278 45.100 0.036 0.000 0.826 490 G HN 2.174 nan 8.290 nan 0.000 0.584 491 A N 0.489 123.221 122.820 -0.147 0.000 2.766 491 A HA -0.180 4.140 4.320 -0.000 0.000 0.287 491 A C 1.343 178.739 177.584 -0.314 0.000 1.383 491 A CA 2.796 54.671 52.037 -0.270 0.000 0.996 491 A CB -1.364 17.445 19.000 -0.319 0.000 0.935 491 A HN 1.868 nan 8.150 nan 0.000 0.605 492 D N -1.715 118.589 120.400 -0.160 0.000 2.636 492 D HA 0.197 4.837 4.640 -0.000 0.000 0.270 492 D C 0.367 176.603 176.300 -0.107 0.000 1.430 492 D CA 0.742 54.653 54.000 -0.149 0.000 0.796 492 D CB -1.154 39.619 40.800 -0.044 0.000 1.117 492 D HN 0.757 nan 8.370 nan 0.000 0.480 493 T N -1.832 112.615 114.554 -0.179 0.000 2.788 493 T HA 0.199 4.549 4.350 -0.000 0.000 0.287 493 T C 1.753 176.327 174.700 -0.210 0.000 1.007 493 T CA 0.613 62.568 62.100 -0.242 0.000 1.005 493 T CB 1.270 69.814 68.868 -0.539 0.000 1.012 493 T HN 0.073 nan 8.240 nan 0.000 0.530 494 T N -1.550 112.912 114.554 -0.153 0.000 2.946 494 T HA -0.044 4.306 4.350 -0.000 0.000 0.271 494 T C 1.930 176.503 174.700 -0.213 0.000 1.104 494 T CA 0.900 62.963 62.100 -0.062 0.000 1.114 494 T CB -0.803 68.114 68.868 0.082 0.000 0.867 494 T HN 0.869 nan 8.240 nan 0.000 0.513 495 A N 0.158 122.828 122.820 -0.249 0.000 2.238 495 A HA 0.373 4.693 4.320 -0.000 0.000 0.208 495 A C 1.214 178.385 177.584 -0.689 0.000 1.177 495 A CA 0.420 52.211 52.037 -0.409 0.000 0.804 495 A CB -0.194 18.822 19.000 0.027 0.000 0.823 495 A HN 0.508 nan 8.150 nan 0.000 0.482 496 T N -1.519 112.714 114.554 -0.536 0.000 2.886 496 T HA 0.380 4.730 4.350 -0.000 0.000 0.292 496 T C -0.453 174.094 174.700 -0.256 0.000 1.012 496 T CA -0.494 61.387 62.100 -0.366 0.000 0.982 496 T CB 1.331 70.071 68.868 -0.214 0.000 1.018 496 T HN 0.066 nan 8.240 nan 0.000 0.451 497 D N 2.801 123.127 120.400 -0.124 0.000 2.355 497 D HA 0.311 4.951 4.640 -0.000 0.000 0.218 497 D C 0.179 176.448 176.300 -0.051 0.000 1.004 497 D CA 0.696 54.689 54.000 -0.011 0.000 0.880 497 D CB 0.279 41.131 40.800 0.087 0.000 0.911 497 D HN 0.508 nan 8.370 nan 0.000 0.528 498 I N 0.308 120.815 120.570 -0.105 0.000 2.722 498 I HA 0.239 4.409 4.170 -0.000 0.000 0.295 498 I C -0.685 175.304 176.117 -0.213 0.000 1.161 498 I CA -0.854 60.364 61.300 -0.137 0.000 1.032 498 I CB 3.016 40.947 38.000 -0.116 0.000 1.244 498 I HN -0.353 nan 8.210 nan 0.000 0.421 499 I N 5.414 125.821 120.570 -0.272 0.000 2.308 499 I HA 0.130 4.300 4.170 -0.000 0.000 0.293 499 I C 0.035 175.903 176.117 -0.414 0.000 1.078 499 I CA -0.230 60.813 61.300 -0.427 0.000 1.292 499 I CB 0.194 37.826 38.000 -0.613 0.000 1.423 499 I HN 0.576 nan 8.210 nan 0.000 0.493 500 C N 5.678 124.745 119.300 -0.389 0.000 2.842 500 C HA 0.532 4.992 4.460 -0.000 0.000 0.311 500 C C -2.316 172.482 174.990 -0.321 0.000 1.312 500 C CA -2.402 56.428 59.018 -0.314 0.000 1.651 500 C CB -1.193 26.387 27.740 -0.266 0.000 1.826 500 C HN 0.381 nan 8.230 nan 0.000 0.491 501 P HA 0.401 nan 4.420 nan 0.000 0.279 501 P C -0.509 176.703 177.300 -0.146 0.000 1.252 501 P CA -0.126 62.858 63.100 -0.193 0.000 0.811 501 P CB 1.093 32.764 31.700 -0.048 0.000 1.035 502 M N 1.328 120.830 119.600 -0.162 0.000 2.114 502 M HA 0.458 4.938 4.480 -0.000 0.000 0.332 502 M C -1.240 174.937 176.300 -0.204 0.000 1.014 502 M CA -0.538 54.537 55.300 -0.374 0.000 0.956 502 M CB 0.768 33.019 32.600 -0.581 0.000 1.551 502 M HN 0.186 nan 8.290 nan 0.000 0.427 503 Y N 0.344 120.769 120.300 0.208 0.000 3.233 503 Y HA -0.103 4.447 4.550 -0.000 0.000 0.201 503 Y C -0.149 175.900 175.900 0.248 0.000 1.486 503 Y CA 0.560 58.800 58.100 0.234 0.000 1.326 503 Y CB -2.419 36.166 38.460 0.208 0.000 1.460 503 Y HN 0.966 nan 8.280 nan 0.000 0.512 504 A N 0.726 123.779 122.820 0.389 0.000 2.312 504 A HA 0.863 5.183 4.320 -0.000 0.000 0.328 504 A C 0.364 178.139 177.584 0.319 0.000 1.158 504 A CA -1.003 51.231 52.037 0.329 0.000 0.821 504 A CB 0.879 20.096 19.000 0.363 0.000 1.170 504 A HN 0.369 nan 8.150 nan 0.000 0.490 505 R N 1.291 121.893 120.500 0.170 0.000 2.357 505 R HA 0.335 4.675 4.340 -0.000 0.000 0.296 505 R C 1.064 177.310 176.300 -0.090 0.000 1.052 505 R CA -0.530 55.603 56.100 0.054 0.000 0.988 505 R CB 1.211 31.529 30.300 0.029 0.000 1.025 505 R HN 0.521 nan 8.270 nan 0.000 0.469 506 V N 1.950 121.669 119.914 -0.325 0.000 2.250 506 V HA -0.331 3.789 4.120 -0.000 0.000 0.253 506 V C 0.939 176.924 176.094 -0.181 0.000 1.065 506 V CA 2.141 64.225 62.300 -0.359 0.000 1.039 506 V CB -0.197 31.359 31.823 -0.444 0.000 0.647 506 V HN 0.849 nan 8.190 nan 0.000 0.446 507 D N -2.197 118.129 120.400 -0.124 0.000 2.500 507 D HA 0.135 4.775 4.640 -0.000 0.000 0.218 507 D C 0.736 177.012 176.300 -0.041 0.000 1.140 507 D CA -0.032 53.924 54.000 -0.073 0.000 0.830 507 D CB 0.928 41.694 40.800 -0.057 0.000 1.055 507 D HN 0.514 nan 8.370 nan 0.000 0.512 508 E N 1.583 121.762 120.200 -0.036 0.000 2.191 508 E HA 0.147 4.497 4.350 -0.000 0.000 0.278 508 E C -1.015 175.561 176.600 -0.039 0.000 0.972 508 E CA -0.577 55.805 56.400 -0.029 0.000 0.804 508 E CB 1.247 30.935 29.700 -0.020 0.000 1.110 508 E HN -0.210 nan 8.360 nan 0.000 0.394 509 D N 3.593 123.962 120.400 -0.052 0.000 2.225 509 D HA 0.129 4.769 4.640 -0.000 0.000 0.248 509 D C -0.724 175.424 176.300 -0.253 0.000 1.096 509 D CA -0.038 53.906 54.000 -0.094 0.000 0.863 509 D CB 1.388 42.193 40.800 0.008 0.000 1.156 509 D HN 0.357 nan 8.370 nan 0.000 0.450 510 Q N 2.553 122.076 119.800 -0.461 0.000 2.563 510 Q HA 0.246 4.586 4.340 -0.000 0.000 0.232 510 Q C -2.052 173.157 176.000 -1.318 0.000 1.106 510 Q CA -1.705 53.590 55.803 -0.847 0.000 0.913 510 Q CB 1.554 29.775 28.738 -0.861 0.000 1.175 510 Q HN 0.137 nan 8.270 nan 0.000 0.540 511 P HA -0.055 nan 4.420 nan 0.000 0.237 511 P C -0.875 176.079 177.300 -0.577 0.000 1.701 511 P CA 0.035 62.698 63.100 -0.728 0.000 0.955 511 P CB -0.558 30.925 31.700 -0.362 0.000 1.937 512 F N 2.332 122.116 119.950 -0.277 0.000 2.484 512 F HA 0.220 4.747 4.527 -0.000 0.000 0.360 512 F C -1.333 174.358 175.800 -0.182 0.000 1.101 512 F CA -3.018 54.873 58.000 -0.182 0.000 1.251 512 F CB -0.947 37.963 39.000 -0.151 0.000 1.132 512 F HN 0.055 nan 8.300 nan 0.000 0.570 513 P HA 0.109 nan 4.420 nan 0.000 0.266 513 P C 0.475 177.788 177.300 0.023 0.000 1.195 513 P CA 1.096 64.209 63.100 0.020 0.000 0.768 513 P CB 0.915 32.630 31.700 0.025 0.000 0.838 514 A N 2.743 125.567 122.820 0.007 0.000 2.617 514 A HA -0.256 4.064 4.320 -0.000 0.000 0.236 514 A C 0.779 178.369 177.584 0.010 0.000 0.551 514 A CA 2.083 54.130 52.037 0.018 0.000 1.144 514 A CB -2.701 16.313 19.000 0.023 0.000 1.384 514 A HN 0.566 nan 8.150 nan 0.000 0.694 515 V N -3.188 116.730 119.914 0.006 0.000 2.711 515 V HA 0.438 4.558 4.120 -0.000 0.000 0.335 515 V C -2.679 173.385 176.094 -0.050 0.000 1.235 515 V CA -1.125 61.176 62.300 0.001 0.000 1.250 515 V CB 0.244 32.083 31.823 0.027 0.000 1.469 515 V HN 0.391 nan 8.190 nan 0.000 0.646 516 P HA 0.091 nan 4.420 nan 0.000 0.263 516 P C -0.108 176.641 177.300 -0.918 0.000 1.175 516 P CA 0.728 63.374 63.100 -0.756 0.000 0.761 516 P CB 0.573 31.416 31.700 -1.429 0.000 0.794 517 K N 2.471 122.384 120.400 -0.810 0.000 2.118 517 K HA 0.406 4.726 4.320 -0.000 0.000 0.267 517 K C -0.546 175.555 176.600 -0.831 0.000 0.991 517 K CA -0.229 55.718 56.287 -0.568 0.000 0.916 517 K CB 1.074 33.529 32.500 -0.075 0.000 1.041 517 K HN 0.485 nan 8.250 nan 0.000 0.455 518 W N 0.103 121.062 121.300 -0.567 0.000 2.864 518 W HA 0.182 4.842 4.660 -0.000 0.000 0.343 518 W C 0.311 176.718 176.519 -0.186 0.000 1.109 518 W CA -1.067 55.974 57.345 -0.507 0.000 1.192 518 W CB 1.819 30.761 29.460 -0.864 0.000 1.426 518 W HN 0.476 nan 8.180 nan 0.000 0.529 519 S N 3.745 119.520 115.700 0.125 0.000 2.626 519 S HA -0.107 4.363 4.470 -0.000 0.000 0.303 519 S C 1.484 176.161 174.600 0.128 0.000 1.256 519 S CA 0.131 58.370 58.200 0.065 0.000 1.069 519 S CB 0.037 63.241 63.200 0.006 0.000 0.807 519 S HN 0.563 nan 8.310 nan 0.000 0.500 520 I N 3.414 124.062 120.570 0.131 0.000 2.185 520 I HA -0.280 3.890 4.170 -0.000 0.000 0.246 520 I C 1.905 178.049 176.117 0.045 0.000 1.088 520 I CA 1.790 63.195 61.300 0.175 0.000 1.347 520 I CB -0.644 37.416 38.000 0.101 0.000 1.041 520 I HN 0.665 nan 8.210 nan 0.000 0.415 521 K N 1.599 121.928 120.400 -0.118 0.000 2.152 521 K HA -0.204 4.116 4.320 -0.000 0.000 0.206 521 K C 2.181 178.749 176.600 -0.054 0.000 1.048 521 K CA 1.947 58.092 56.287 -0.238 0.000 0.933 521 K CB -0.314 31.966 32.500 -0.368 0.000 0.721 521 K HN 0.441 nan 8.250 nan 0.000 0.447 522 K N 0.660 121.048 120.400 -0.021 0.000 2.057 522 K HA -0.164 4.156 4.320 -0.000 0.000 0.206 522 K C 1.891 178.449 176.600 -0.069 0.000 1.050 522 K CA 0.890 57.135 56.287 -0.070 0.000 0.935 522 K CB -0.125 32.297 32.500 -0.132 0.000 0.715 522 K HN 0.177 nan 8.250 nan 0.000 0.439 523 W N 1.952 123.171 121.300 -0.136 0.000 2.301 523 W HA -0.256 4.404 4.660 -0.000 0.000 0.325 523 W C 1.668 178.123 176.519 -0.107 0.000 1.250 523 W CA 1.466 58.738 57.345 -0.123 0.000 1.261 523 W CB -0.917 28.558 29.460 0.024 0.000 1.157 523 W HN 0.142 nan 8.180 nan 0.000 0.473 524 L N 0.504 121.848 121.223 0.202 0.000 2.054 524 L HA -0.350 3.990 4.340 -0.000 0.000 0.220 524 L C 2.478 179.388 176.870 0.066 0.000 1.081 524 L CA 2.559 57.456 54.840 0.094 0.000 0.780 524 L CB -1.544 40.566 42.059 0.085 0.000 0.893 524 L HN 0.127 nan 8.230 nan 0.000 0.438 525 S N -1.057 114.666 115.700 0.038 0.000 2.558 525 S HA 0.088 4.558 4.470 -0.000 0.000 0.217 525 S C 0.809 175.381 174.600 -0.048 0.000 0.975 525 S CA -0.441 57.757 58.200 -0.003 0.000 0.912 525 S CB -0.326 62.867 63.200 -0.010 0.000 0.776 525 S HN 0.220 nan 8.310 nan 0.000 0.526 526 L N 2.556 123.736 121.223 -0.071 0.000 2.543 526 L HA 0.218 4.558 4.340 -0.000 0.000 0.285 526 L C -2.189 174.646 176.870 -0.058 0.000 1.236 526 L CA -1.464 53.301 54.840 -0.125 0.000 0.871 526 L CB -0.484 41.474 42.059 -0.169 0.000 1.121 526 L HN 0.098 nan 8.230 nan 0.000 0.501 527 P HA -0.008 nan 4.420 nan 0.000 0.260 527 P C 0.849 178.141 177.300 -0.014 0.000 1.172 527 P CA 1.221 64.298 63.100 -0.038 0.000 0.760 527 P CB 0.682 32.357 31.700 -0.042 0.000 0.773 528 G N 2.510 111.307 108.800 -0.005 0.000 2.490 528 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.214 528 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.214 528 G C 0.275 175.182 174.900 0.012 0.000 1.151 528 G CA -0.121 44.983 45.100 0.007 0.000 0.684 528 G HN 0.597 nan 8.290 nan 0.000 0.518 529 E N 1.721 121.932 120.200 0.018 0.000 2.765 529 E HA 0.382 4.732 4.350 -0.000 0.000 0.256 529 E C 1.302 177.908 176.600 0.010 0.000 0.935 529 E CA 1.520 57.934 56.400 0.023 0.000 0.954 529 E CB 0.432 30.163 29.700 0.052 0.000 0.908 529 E HN 0.553 nan 8.360 nan 0.000 0.500 530 T N 2.301 116.855 114.554 0.001 0.000 3.092 530 T HA 0.203 4.553 4.350 -0.000 0.000 0.273 530 T C 0.378 175.069 174.700 -0.015 0.000 0.898 530 T CA -0.489 61.609 62.100 -0.003 0.000 0.868 530 T CB 0.225 69.094 68.868 0.002 0.000 1.228 530 T HN 0.227 nan 8.240 nan 0.000 0.555 531 R N 2.233 122.713 120.500 -0.032 0.000 2.649 531 R HA 0.434 4.774 4.340 -0.000 0.000 0.270 531 R C -2.561 173.696 176.300 -0.071 0.000 1.105 531 R CA -1.694 54.373 56.100 -0.054 0.000 1.193 531 R CB -0.251 30.000 30.300 -0.083 0.000 1.120 531 R HN 0.158 nan 8.270 nan 0.000 0.561 532 P HA 0.110 nan 4.420 nan 0.000 0.276 532 P C -1.182 176.026 177.300 -0.153 0.000 1.261 532 P CA -0.341 62.701 63.100 -0.096 0.000 0.800 532 P CB 0.598 32.247 31.700 -0.086 0.000 1.066 533 L N 1.993 123.111 121.223 -0.176 0.000 2.376 533 L HA 0.549 4.889 4.340 -0.000 0.000 0.275 533 L C -1.200 175.516 176.870 -0.257 0.000 0.987 533 L CA -0.800 53.897 54.840 -0.238 0.000 0.828 533 L CB 0.202 42.131 42.059 -0.217 0.000 1.249 533 L HN 0.284 nan 8.230 nan 0.000 0.409 534 I N 6.059 126.477 120.570 -0.253 0.000 2.503 534 I HA 0.254 4.424 4.170 -0.000 0.000 0.282 534 I C -0.694 175.308 176.117 -0.193 0.000 1.059 534 I CA -0.706 60.447 61.300 -0.246 0.000 1.081 534 I CB 1.879 39.796 38.000 -0.139 0.000 1.210 534 I HN 0.407 nan 8.210 nan 0.000 0.450 535 L N 5.356 126.443 121.223 -0.226 0.000 2.462 535 L HA 0.041 4.381 4.340 -0.000 0.000 0.272 535 L C 1.507 178.382 176.870 0.008 0.000 1.166 535 L CA -0.014 54.747 54.840 -0.132 0.000 0.880 535 L CB 0.604 42.585 42.059 -0.131 0.000 1.142 535 L HN 0.859 nan 8.230 nan 0.000 0.473 536 C N 0.337 119.596 119.300 -0.068 0.000 2.466 536 C HA 0.082 4.542 4.460 -0.000 0.000 0.278 536 C C 0.801 175.829 174.990 0.063 0.000 1.288 536 C CA -0.120 58.860 59.018 -0.064 0.000 1.722 536 C CB -0.726 26.882 27.740 -0.219 0.000 2.017 536 C HN 0.809 nan 8.230 nan 0.000 0.488 537 E N 0.134 120.277 120.200 -0.095 0.000 2.255 537 E HA 0.558 4.908 4.350 -0.000 0.000 0.256 537 E C -1.290 175.191 176.600 -0.198 0.000 0.887 537 E CA -0.277 56.009 56.400 -0.191 0.000 0.782 537 E CB 1.478 30.757 29.700 -0.702 0.000 1.214 537 E HN 0.661 nan 8.360 nan 0.000 0.417 538 Y N 0.336 120.717 120.300 0.134 0.000 2.588 538 Y HA 0.668 5.218 4.550 -0.000 0.000 0.343 538 Y C -0.383 175.753 175.900 0.392 0.000 1.065 538 Y CA -1.387 56.871 58.100 0.263 0.000 1.038 538 Y CB 0.934 39.341 38.460 -0.088 0.000 1.297 538 Y HN 0.510 nan 8.280 nan 0.000 0.467 539 A N 1.922 124.785 122.820 0.072 0.000 2.734 539 A HA -0.276 4.044 4.320 -0.000 0.000 0.294 539 A C -0.038 177.644 177.584 0.164 0.000 1.455 539 A CA 0.854 52.870 52.037 -0.035 0.000 0.730 539 A CB -2.888 15.894 19.000 -0.363 0.000 1.077 539 A HN 1.297 nan 8.150 nan 0.000 0.448 540 H N 0.458 119.575 119.070 0.077 0.000 4.828 540 H HA 0.184 4.740 4.556 -0.000 0.000 0.179 540 H C 1.482 176.809 175.328 -0.002 0.000 1.064 540 H CA 0.240 56.325 56.048 0.062 0.000 1.445 540 H CB -0.247 29.384 29.762 -0.218 0.000 1.663 540 H HN 0.973 nan 8.280 nan 0.000 0.878 541 A N 5.031 127.870 122.820 0.031 0.000 1.992 541 A HA -0.147 4.173 4.320 -0.000 0.000 0.203 541 A C 1.118 178.489 177.584 -0.356 0.000 1.420 541 A CA 0.199 52.118 52.037 -0.196 0.000 1.302 541 A CB -0.908 17.966 19.000 -0.209 0.000 0.726 541 A HN 0.757 nan 8.150 nan 0.000 0.565 542 M N 1.129 120.384 119.600 -0.574 0.000 2.429 542 M HA 0.362 4.841 4.480 -0.000 0.000 0.334 542 M C 1.175 177.161 176.300 -0.523 0.000 1.560 542 M CA 1.256 56.200 55.300 -0.592 0.000 1.291 542 M CB -0.672 31.450 32.600 -0.797 0.000 1.754 542 M HN 0.826 nan 8.290 nan 0.000 0.456 543 G N 4.378 112.877 108.800 -0.503 0.000 2.531 543 G HA2 -0.345 3.615 3.960 -0.000 0.000 0.274 543 G HA3 -0.345 3.615 3.960 -0.000 0.000 0.274 543 G C -0.175 174.189 174.900 -0.893 0.000 1.159 543 G CA 0.181 44.863 45.100 -0.697 0.000 0.969 543 G HN 0.812 nan 8.290 nan 0.000 0.554 544 N N 1.474 119.571 118.700 -1.004 0.000 2.605 544 N HA 0.550 5.290 4.740 -0.000 0.000 0.258 544 N C 0.117 175.343 175.510 -0.472 0.000 1.156 544 N CA 1.049 53.687 53.050 -0.687 0.000 1.008 544 N CB 0.369 38.592 38.487 -0.441 0.000 1.354 544 N HN 0.677 nan 8.380 nan 0.000 0.509 545 S N 1.364 116.835 115.700 -0.381 0.000 3.605 545 S HA 0.532 5.002 4.470 -0.000 0.000 0.301 545 S C -0.261 174.206 174.600 -0.221 0.000 1.083 545 S CA -0.454 57.565 58.200 -0.303 0.000 1.109 545 S CB 0.103 63.115 63.200 -0.314 0.000 1.364 545 S HN 0.386 nan 8.310 nan 0.000 0.758 546 L N 0.431 121.555 121.223 -0.165 0.000 4.089 546 L HA -0.100 4.240 4.340 -0.000 0.000 0.408 546 L C 0.345 177.203 176.870 -0.019 0.000 1.184 546 L CA 0.816 55.599 54.840 -0.094 0.000 0.947 546 L CB -1.656 40.279 42.059 -0.207 0.000 2.066 546 L HN 0.610 nan 8.230 nan 0.000 0.851 547 G N -0.698 108.066 108.800 -0.061 0.000 2.394 547 G HA2 0.522 4.482 3.960 -0.000 0.000 0.298 547 G HA3 0.522 4.482 3.960 -0.000 0.000 0.298 547 G C 1.104 176.003 174.900 -0.002 0.000 1.087 547 G CA 0.270 45.318 45.100 -0.087 0.000 1.035 547 G HN 1.173 nan 8.290 nan 0.000 0.420 548 G N 2.135 110.977 108.800 0.070 0.000 2.260 548 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.179 548 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.179 548 G C 1.021 176.109 174.900 0.313 0.000 1.002 548 G CA 0.363 45.552 45.100 0.148 0.000 0.677 548 G HN 0.592 nan 8.290 nan 0.000 0.486 549 F N 2.262 122.325 119.950 0.188 0.000 2.135 549 F HA -0.109 4.418 4.527 -0.000 0.000 0.300 549 F C 2.683 178.679 175.800 0.328 0.000 1.074 549 F CA 2.943 61.112 58.000 0.282 0.000 1.262 549 F CB -0.269 38.833 39.000 0.170 0.000 1.013 549 F HN 0.376 nan 8.300 nan 0.000 0.489 550 A N -0.514 122.498 122.820 0.321 0.000 2.015 550 A HA -0.162 4.158 4.320 -0.000 0.000 0.219 550 A C 2.286 179.911 177.584 0.068 0.000 1.163 550 A CA 1.369 53.530 52.037 0.207 0.000 0.646 550 A CB -0.503 18.621 19.000 0.206 0.000 0.806 550 A HN 0.386 nan 8.150 nan 0.000 0.448 551 K N -0.994 119.429 120.400 0.038 0.000 1.991 551 K HA -0.189 4.131 4.320 -0.000 0.000 0.212 551 K C 1.833 178.233 176.600 -0.333 0.000 1.049 551 K CA 1.922 58.138 56.287 -0.117 0.000 0.932 551 K CB -0.585 31.819 32.500 -0.161 0.000 0.717 551 K HN 0.584 nan 8.250 nan 0.000 0.441 552 Y N 0.190 120.206 120.300 -0.474 0.000 1.993 552 Y HA -0.315 4.235 4.550 -0.000 0.000 0.267 552 Y C 2.411 177.430 175.900 -1.469 0.000 1.155 552 Y CA 1.863 59.303 58.100 -1.100 0.000 1.105 552 Y CB -1.187 36.550 38.460 -1.205 0.000 0.960 552 Y HN 0.210 nan 8.280 nan 0.000 0.486 553 W N 0.221 121.081 121.300 -0.733 0.000 2.276 553 W HA -0.309 4.351 4.660 -0.000 0.000 0.307 553 W C 2.562 178.905 176.519 -0.293 0.000 1.240 553 W CA 1.920 58.973 57.345 -0.486 0.000 1.249 553 W CB -0.990 28.286 29.460 -0.307 0.000 1.140 553 W HN 0.216 nan 8.180 nan 0.000 0.519 554 Q N -0.251 119.453 119.800 -0.160 0.000 2.020 554 Q HA -0.187 4.153 4.340 -0.000 0.000 0.202 554 Q C 2.451 178.399 176.000 -0.087 0.000 0.982 554 Q CA 1.933 57.692 55.803 -0.074 0.000 0.838 554 Q CB -0.617 28.095 28.738 -0.043 0.000 0.899 554 Q HN 0.314 nan 8.270 nan 0.000 0.423 555 A N 0.848 123.543 122.820 -0.208 0.000 1.851 555 A HA -0.207 4.113 4.320 -0.000 0.000 0.216 555 A C 1.747 179.336 177.584 0.009 0.000 1.195 555 A CA 1.690 53.652 52.037 -0.125 0.000 0.622 555 A CB -1.124 17.687 19.000 -0.315 0.000 0.831 555 A HN 0.401 nan 8.150 nan 0.000 0.444 556 F N 0.173 119.962 119.950 -0.268 0.000 2.184 556 F HA -0.208 4.319 4.527 -0.000 0.000 0.301 556 F C 2.471 178.203 175.800 -0.114 0.000 1.076 556 F CA 1.396 59.220 58.000 -0.293 0.000 1.295 556 F CB -0.895 37.734 39.000 -0.617 0.000 1.026 556 F HN 0.223 nan 8.300 nan 0.000 0.494 557 R N -0.414 120.147 120.500 0.102 0.000 2.173 557 R HA -0.038 4.302 4.340 -0.000 0.000 0.208 557 R C 2.069 178.417 176.300 0.080 0.000 1.035 557 R CA 0.613 56.769 56.100 0.092 0.000 1.004 557 R CB -0.358 29.985 30.300 0.072 0.000 0.917 557 R HN 0.377 nan 8.270 nan 0.000 0.462 558 Q N -0.081 119.790 119.800 0.118 0.000 2.354 558 Q HA -0.009 4.331 4.340 -0.000 0.000 0.203 558 Q C -0.545 175.475 176.000 0.034 0.000 0.933 558 Q CA 0.692 56.541 55.803 0.077 0.000 0.901 558 Q CB 0.513 29.311 28.738 0.099 0.000 1.007 558 Q HN 0.180 nan 8.270 nan 0.000 0.495 559 Y N 0.276 120.568 120.300 -0.014 0.000 2.369 559 Y HA 0.268 4.818 4.550 -0.000 0.000 0.337 559 Y C -1.728 174.157 175.900 -0.025 0.000 0.961 559 Y CA -2.761 55.329 58.100 -0.017 0.000 1.186 559 Y CB 1.428 39.881 38.460 -0.012 0.000 1.139 559 Y HN 0.098 nan 8.280 nan 0.000 0.494 560 P HA -0.229 nan 4.420 nan 0.000 0.215 560 P C 1.149 178.467 177.300 0.031 0.000 1.163 560 P CA 1.845 64.966 63.100 0.034 0.000 0.894 560 P CB 0.324 32.025 31.700 0.002 0.000 0.791 561 R N -1.083 119.450 120.500 0.056 0.000 2.323 561 R HA 0.085 4.425 4.340 -0.000 0.000 0.198 561 R C 0.405 176.685 176.300 -0.033 0.000 0.988 561 R CA 0.208 56.314 56.100 0.011 0.000 1.041 561 R CB -0.569 29.744 30.300 0.023 0.000 0.926 561 R HN 0.293 nan 8.270 nan 0.000 0.476 562 L N 1.481 122.695 121.223 -0.015 0.000 2.259 562 L HA 0.163 4.503 4.340 -0.000 0.000 0.288 562 L C 0.920 177.654 176.870 -0.227 0.000 1.051 562 L CA -0.023 54.743 54.840 -0.124 0.000 0.824 562 L CB 1.430 43.469 42.059 -0.033 0.000 1.206 562 L HN -0.049 nan 8.230 nan 0.000 0.429 563 Q N 2.477 122.080 119.800 -0.328 0.000 2.319 563 Q HA 0.320 4.660 4.340 -0.000 0.000 0.202 563 Q C 0.920 176.596 176.000 -0.540 0.000 0.896 563 Q CA 0.257 55.862 55.803 -0.331 0.000 0.942 563 Q CB 0.897 29.526 28.738 -0.183 0.000 1.083 563 Q HN 0.969 nan 8.270 nan 0.000 0.510 564 G N -0.587 107.531 108.800 -1.136 0.000 2.250 564 G HA2 0.232 4.192 3.960 -0.000 0.000 0.196 564 G HA3 0.232 4.192 3.960 -0.000 0.000 0.196 564 G C -0.496 173.569 174.900 -1.392 0.000 1.308 564 G CA -0.710 43.388 45.100 -1.670 0.000 1.207 564 G HN 0.480 nan 8.290 nan 0.000 0.505 565 G N -1.943 106.429 108.800 -0.714 0.000 2.342 565 G HA2 0.637 4.597 3.960 -0.000 0.000 0.297 565 G HA3 0.637 4.597 3.960 -0.000 0.000 0.297 565 G C -2.069 172.898 174.900 0.110 0.000 1.313 565 G CA -0.390 44.517 45.100 -0.322 0.000 0.830 565 G HN 1.041 nan 8.290 nan 0.000 0.506 566 F N 0.531 120.662 119.950 0.302 0.000 2.467 566 F HA 0.553 5.080 4.527 -0.000 0.000 0.336 566 F C 0.658 176.820 175.800 0.602 0.000 1.123 566 F CA -0.784 57.480 58.000 0.439 0.000 0.964 566 F CB 2.230 41.400 39.000 0.283 0.000 1.136 566 F HN 0.288 nan 8.300 nan 0.000 0.447 567 V N 2.594 122.898 119.914 0.650 0.000 2.686 567 V HA 0.011 4.131 4.120 -0.000 0.000 0.295 567 V C -0.337 176.039 176.094 0.470 0.000 1.055 567 V CA -0.791 61.761 62.300 0.420 0.000 1.050 567 V CB 1.073 33.058 31.823 0.270 0.000 0.984 567 V HN 0.821 nan 8.190 nan 0.000 0.482 568 W N 6.354 127.829 121.300 0.291 0.000 2.282 568 W HA 0.545 5.205 4.660 -0.000 0.000 0.322 568 W C -1.053 175.626 176.519 0.267 0.000 1.011 568 W CA -0.521 57.020 57.345 0.326 0.000 1.392 568 W CB 1.254 30.991 29.460 0.461 0.000 1.215 568 W HN 0.999 nan 8.180 nan 0.000 0.394 569 D N 2.335 122.551 120.400 -0.307 0.000 2.683 569 D HA 0.049 4.689 4.640 -0.000 0.000 0.246 569 D C 0.762 176.896 176.300 -0.278 0.000 1.238 569 D CA -0.721 53.001 54.000 -0.465 0.000 0.759 569 D CB 0.332 40.290 40.800 -1.402 0.000 1.349 569 D HN 0.292 nan 8.370 nan 0.000 0.426 570 W N 1.560 122.644 121.300 -0.361 0.000 2.287 570 W HA -0.246 4.414 4.660 -0.000 0.000 0.341 570 W C 0.125 176.434 176.519 -0.349 0.000 1.361 570 W CA 2.427 59.570 57.345 -0.336 0.000 1.241 570 W CB -0.286 29.007 29.460 -0.278 0.000 1.120 570 W HN 0.408 nan 8.180 nan 0.000 0.468 571 V N -0.470 119.268 119.914 -0.293 0.000 2.881 571 V HA 0.373 4.493 4.120 -0.000 0.000 0.316 571 V C -0.992 174.867 176.094 -0.392 0.000 1.070 571 V CA -0.964 61.079 62.300 -0.430 0.000 0.976 571 V CB 1.456 33.130 31.823 -0.248 0.000 1.038 571 V HN -0.015 nan 8.190 nan 0.000 0.446 572 D N 1.269 121.443 120.400 -0.378 0.000 2.255 572 D HA 0.358 4.998 4.640 -0.000 0.000 0.249 572 D C -0.253 175.824 176.300 -0.372 0.000 1.078 572 D CA -0.175 53.633 54.000 -0.319 0.000 0.896 572 D CB 0.947 41.629 40.800 -0.197 0.000 1.194 572 D HN 0.632 nan 8.370 nan 0.000 0.429 573 Q N 1.375 120.956 119.800 -0.364 0.000 2.810 573 Q HA 0.276 4.616 4.340 -0.000 0.000 0.236 573 Q C -0.838 175.173 176.000 0.018 0.000 1.278 573 Q CA -0.388 55.156 55.803 -0.432 0.000 1.065 573 Q CB 0.294 28.869 28.738 -0.272 0.000 1.364 573 Q HN 0.511 nan 8.270 nan 0.000 0.570 574 S N 1.155 116.843 115.700 -0.020 0.000 2.538 574 S HA 0.747 5.217 4.470 -0.000 0.000 0.288 574 S C -0.608 174.065 174.600 0.120 0.000 1.108 574 S CA -0.852 57.459 58.200 0.185 0.000 0.971 574 S CB 1.403 64.680 63.200 0.127 0.000 1.041 574 S HN 0.304 nan 8.310 nan 0.000 0.483 575 L N 2.094 123.360 121.223 0.071 0.000 2.319 575 L HA 0.652 4.992 4.340 -0.000 0.000 0.267 575 L C -0.103 176.682 176.870 -0.143 0.000 1.011 575 L CA -1.089 53.716 54.840 -0.058 0.000 0.818 575 L CB 0.906 42.833 42.059 -0.221 0.000 1.316 575 L HN 0.633 nan 8.230 nan 0.000 0.432 576 I N 0.884 121.331 120.570 -0.205 0.000 3.004 576 I HA 0.224 4.394 4.170 -0.000 0.000 0.287 576 I C 0.187 175.988 176.117 -0.527 0.000 1.144 576 I CA 0.296 61.364 61.300 -0.386 0.000 1.353 576 I CB 0.546 38.332 38.000 -0.356 0.000 1.417 576 I HN 0.590 nan 8.210 nan 0.000 0.602 577 K N 2.737 122.575 120.400 -0.938 0.000 2.499 577 K HA 0.541 4.861 4.320 -0.000 0.000 0.277 577 K C -1.892 174.110 176.600 -0.996 0.000 1.025 577 K CA -0.860 54.856 56.287 -0.951 0.000 0.900 577 K CB 2.084 33.789 32.500 -1.324 0.000 1.494 577 K HN 0.224 nan 8.250 nan 0.000 0.442 578 Y N 0.826 121.029 120.300 -0.161 0.000 2.373 578 Y HA 0.181 4.731 4.550 -0.000 0.000 0.336 578 Y C -0.500 175.599 175.900 0.332 0.000 0.979 578 Y CA -1.523 56.670 58.100 0.155 0.000 1.080 578 Y CB 1.243 39.743 38.460 0.067 0.000 1.190 578 Y HN 0.603 nan 8.280 nan 0.000 0.446 579 D N 0.538 121.251 120.400 0.522 0.000 2.329 579 D HA 0.135 4.775 4.640 -0.000 0.000 0.246 579 D C 0.702 177.117 176.300 0.192 0.000 1.111 579 D CA -0.416 53.760 54.000 0.293 0.000 0.941 579 D CB 0.884 41.732 40.800 0.080 0.000 1.169 579 D HN 0.700 nan 8.370 nan 0.000 0.441 580 E N 0.556 120.822 120.200 0.110 0.000 2.330 580 E HA -0.360 3.990 4.350 -0.000 0.000 0.239 580 E C 1.144 177.784 176.600 0.067 0.000 1.097 580 E CA 2.179 58.620 56.400 0.068 0.000 1.031 580 E CB -0.438 29.280 29.700 0.029 0.000 0.885 580 E HN 0.582 nan 8.360 nan 0.000 0.479 581 N N 0.344 119.085 118.700 0.067 0.000 2.609 581 N HA -0.032 4.708 4.740 -0.000 0.000 0.190 581 N C 0.872 176.438 175.510 0.094 0.000 1.157 581 N CA 0.786 53.873 53.050 0.061 0.000 0.918 581 N CB 0.301 38.813 38.487 0.043 0.000 0.978 581 N HN 0.310 nan 8.380 nan 0.000 0.448 582 G N 1.740 110.625 108.800 0.142 0.000 2.338 582 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.296 582 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.296 582 G C -0.519 174.569 174.900 0.313 0.000 1.040 582 G CA -0.221 45.003 45.100 0.207 0.000 1.004 582 G HN 0.500 nan 8.290 nan 0.000 0.509 583 N N 0.870 119.752 118.700 0.305 0.000 2.417 583 N HA 0.479 5.219 4.740 -0.000 0.000 0.300 583 N C -3.003 172.614 175.510 0.179 0.000 1.102 583 N CA -1.775 51.419 53.050 0.239 0.000 0.886 583 N CB 2.440 41.015 38.487 0.146 0.000 1.203 583 N HN 0.043 nan 8.380 nan 0.000 0.496 584 P HA 0.069 nan 4.420 nan 0.000 0.276 584 P C -0.676 176.545 177.300 -0.132 0.000 1.253 584 P CA -0.021 62.871 63.100 -0.347 0.000 0.766 584 P CB 0.080 31.653 31.700 -0.211 0.000 0.845 585 W N 1.912 122.947 121.300 -0.441 0.000 2.728 585 W HA 0.295 4.955 4.660 -0.000 0.000 0.324 585 W C -1.096 175.222 176.519 -0.335 0.000 1.012 585 W CA -1.073 56.054 57.345 -0.363 0.000 1.279 585 W CB -0.233 28.962 29.460 -0.441 0.000 1.289 585 W HN 0.158 nan 8.180 nan 0.000 0.418 586 S N 2.812 118.454 115.700 -0.096 0.000 3.959 586 S HA 0.140 4.610 4.470 -0.000 0.000 0.473 586 S C 0.662 175.256 174.600 -0.010 0.000 1.041 586 S CA 1.111 59.275 58.200 -0.060 0.000 1.364 586 S CB -0.533 62.676 63.200 0.015 0.000 0.851 586 S HN 0.598 nan 8.310 nan 0.000 0.543 587 A N 3.519 126.241 122.820 -0.163 0.000 2.304 587 A HA 0.759 5.079 4.320 -0.000 0.000 0.301 587 A C -0.264 177.512 177.584 0.319 0.000 1.132 587 A CA -0.674 51.308 52.037 -0.093 0.000 0.819 587 A CB 0.505 19.270 19.000 -0.391 0.000 1.094 587 A HN 0.860 nan 8.150 nan 0.000 0.492 588 Y N -0.409 120.106 120.300 0.358 0.000 2.805 588 Y HA 0.727 5.277 4.550 -0.000 0.000 0.323 588 Y C 0.490 176.667 175.900 0.462 0.000 1.279 588 Y CA -1.487 56.834 58.100 0.370 0.000 1.103 588 Y CB 0.111 38.636 38.460 0.108 0.000 1.324 588 Y HN 0.979 nan 8.280 nan 0.000 0.498 589 G N 0.374 109.572 108.800 0.663 0.000 2.138 589 G HA2 0.366 4.326 3.960 -0.000 0.000 0.244 589 G HA3 0.366 4.326 3.960 -0.000 0.000 0.244 589 G C 1.010 176.244 174.900 0.558 0.000 1.166 589 G CA 0.565 45.985 45.100 0.534 0.000 0.902 589 G HN 2.077 nan 8.290 nan 0.000 0.460 590 G N 2.396 111.495 108.800 0.497 0.000 2.179 590 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.260 590 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.260 590 G C 0.809 175.875 174.900 0.276 0.000 0.977 590 G CA 0.636 45.952 45.100 0.361 0.000 0.641 590 G HN 0.673 nan 8.290 nan 0.000 0.533 591 D N -0.464 120.106 120.400 0.283 0.000 2.378 591 D HA 0.164 4.804 4.640 -0.000 0.000 0.227 591 D C 1.224 177.230 176.300 -0.490 0.000 1.012 591 D CA 0.557 54.500 54.000 -0.096 0.000 0.905 591 D CB -0.179 40.479 40.800 -0.237 0.000 0.895 591 D HN 0.509 nan 8.370 nan 0.000 0.532 592 F N -1.272 118.767 119.950 0.147 0.000 2.781 592 F HA 0.291 4.818 4.527 -0.000 0.000 0.322 592 F C 1.727 177.601 175.800 0.124 0.000 1.108 592 F CA -0.246 57.815 58.000 0.101 0.000 1.179 592 F CB 0.761 39.815 39.000 0.089 0.000 1.072 592 F HN -0.061 nan 8.300 nan 0.000 0.545 593 G N 0.638 109.587 108.800 0.248 0.000 2.168 593 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.263 593 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.263 593 G C -0.311 174.725 174.900 0.226 0.000 0.977 593 G CA 0.222 45.439 45.100 0.195 0.000 0.659 593 G HN 0.377 nan 8.290 nan 0.000 0.533 594 D N 1.092 121.680 120.400 0.313 0.000 2.426 594 D HA 0.352 4.992 4.640 -0.000 0.000 0.261 594 D C 0.163 176.594 176.300 0.218 0.000 1.245 594 D CA 0.811 54.990 54.000 0.298 0.000 0.917 594 D CB 0.649 41.703 40.800 0.422 0.000 1.123 594 D HN 0.111 nan 8.370 nan 0.000 0.508 595 T N 2.900 117.550 114.554 0.160 0.000 2.881 595 T HA 0.454 4.804 4.350 -0.000 0.000 0.290 595 T C -2.079 172.664 174.700 0.071 0.000 1.000 595 T CA -1.068 61.098 62.100 0.111 0.000 0.978 595 T CB 1.801 70.730 68.868 0.103 0.000 0.997 595 T HN 0.245 nan 8.240 nan 0.000 0.443 596 P HA 0.437 nan 4.420 nan 0.000 0.275 596 P C -0.762 176.554 177.300 0.027 0.000 1.266 596 P CA -0.716 62.402 63.100 0.030 0.000 0.793 596 P CB 0.563 32.257 31.700 -0.009 0.000 1.074 597 N N -1.071 117.656 118.700 0.045 0.000 2.416 597 N HA 0.154 4.894 4.740 -0.000 0.000 0.276 597 N C -1.359 174.196 175.510 0.075 0.000 1.261 597 N CA -0.580 52.507 53.050 0.062 0.000 0.790 597 N CB 1.769 40.381 38.487 0.209 0.000 1.554 597 N HN 0.208 nan 8.380 nan 0.000 0.481 598 D N 0.777 121.254 120.400 0.128 0.000 2.894 598 D HA 0.103 4.743 4.640 -0.000 0.000 0.273 598 D C 0.904 177.482 176.300 0.463 0.000 1.328 598 D CA -0.247 53.920 54.000 0.277 0.000 0.845 598 D CB 0.808 41.644 40.800 0.061 0.000 1.072 598 D HN 0.645 nan 8.370 nan 0.000 0.484 599 R N 0.778 121.480 120.500 0.336 0.000 3.420 599 R HA -0.412 3.928 4.340 -0.000 0.000 0.609 599 R C 1.117 177.289 176.300 -0.213 0.000 0.241 599 R CA 1.865 58.104 56.100 0.231 0.000 1.874 599 R CB -1.351 29.022 30.300 0.122 0.000 0.810 599 R HN 0.099 nan 8.270 nan 0.000 0.638 600 Q N 0.213 119.514 119.800 -0.832 0.000 2.291 600 Q HA 0.052 4.392 4.340 -0.000 0.000 0.205 600 Q C 1.978 177.582 176.000 -0.660 0.000 0.970 600 Q CA 1.729 56.879 55.803 -1.089 0.000 0.876 600 Q CB -0.283 27.696 28.738 -1.265 0.000 0.935 600 Q HN 0.471 nan 8.270 nan 0.000 0.455 601 F N 1.288 121.023 119.950 -0.358 0.000 2.257 601 F HA -0.266 4.261 4.527 -0.000 0.000 0.302 601 F C 1.838 177.487 175.800 -0.251 0.000 1.056 601 F CA 1.062 58.957 58.000 -0.175 0.000 1.353 601 F CB -0.564 38.443 39.000 0.013 0.000 1.064 601 F HN 0.381 nan 8.300 nan 0.000 0.520 602 C N -1.484 117.462 119.300 -0.591 0.000 2.578 602 C HA 0.352 4.812 4.460 -0.000 0.000 0.285 602 C C 0.721 175.495 174.990 -0.361 0.000 1.297 602 C CA -0.600 58.006 59.018 -0.687 0.000 1.690 602 C CB -1.989 24.861 27.740 -1.484 0.000 1.773 602 C HN 0.186 nan 8.230 nan 0.000 0.594 603 M N 2.693 122.126 119.600 -0.278 0.000 2.006 603 M HA 0.362 4.842 4.480 -0.000 0.000 0.314 603 M C -0.593 175.571 176.300 -0.226 0.000 0.926 603 M CA 0.184 55.340 55.300 -0.241 0.000 0.906 603 M CB 0.768 33.252 32.600 -0.193 0.000 1.422 603 M HN 0.151 nan 8.290 nan 0.000 0.397 604 N N 1.447 120.020 118.700 -0.211 0.000 2.305 604 N HA 0.157 4.897 4.740 -0.000 0.000 0.248 604 N C 0.287 175.588 175.510 -0.348 0.000 1.290 604 N CA -0.127 52.813 53.050 -0.183 0.000 0.873 604 N CB 1.312 39.918 38.487 0.198 0.000 1.261 604 N HN 0.752 nan 8.380 nan 0.000 0.504 605 G N 0.183 108.690 108.800 -0.489 0.000 2.569 605 G HA2 0.340 4.300 3.960 -0.000 0.000 0.249 605 G HA3 0.340 4.300 3.960 -0.000 0.000 0.249 605 G C 0.905 175.243 174.900 -0.938 0.000 1.216 605 G CA -0.406 44.301 45.100 -0.655 0.000 0.845 605 G HN 0.162 nan 8.290 nan 0.000 0.568 606 L N 0.256 120.994 121.223 -0.808 0.000 2.567 606 L HA 0.174 4.514 4.340 -0.000 0.000 0.225 606 L C 0.381 176.727 176.870 -0.873 0.000 1.119 606 L CA 0.189 54.595 54.840 -0.724 0.000 0.871 606 L CB -0.288 41.497 42.059 -0.457 0.000 1.036 606 L HN 0.386 nan 8.230 nan 0.000 0.459 607 V N -5.117 114.165 119.914 -1.054 0.000 3.007 607 V HA 0.518 4.638 4.120 -0.000 0.000 0.311 607 V C -0.627 175.067 176.094 -0.666 0.000 1.120 607 V CA -1.015 60.765 62.300 -0.868 0.000 0.980 607 V CB 1.989 33.245 31.823 -0.945 0.000 1.033 607 V HN -0.194 nan 8.190 nan 0.000 0.429 608 F N 1.950 121.771 119.950 -0.214 0.000 2.399 608 F HA 0.659 5.186 4.527 -0.000 0.000 0.342 608 F C 1.756 177.441 175.800 -0.191 0.000 1.106 608 F CA 0.182 58.120 58.000 -0.103 0.000 1.196 608 F CB 1.563 40.536 39.000 -0.044 0.000 1.163 608 F HN 0.854 nan 8.300 nan 0.000 0.547 609 A N 2.056 124.919 122.820 0.072 0.000 2.067 609 A HA -0.252 4.067 4.320 -0.000 0.000 0.224 609 A C 1.610 179.137 177.584 -0.095 0.000 1.172 609 A CA 2.241 54.238 52.037 -0.068 0.000 0.662 609 A CB -0.949 18.010 19.000 -0.069 0.000 0.814 609 A HN 0.794 nan 8.150 nan 0.000 0.468 610 D N -2.803 117.569 120.400 -0.046 0.000 2.358 610 D HA 0.206 4.846 4.640 -0.000 0.000 0.224 610 D C 0.186 176.464 176.300 -0.037 0.000 1.123 610 D CA -0.175 53.781 54.000 -0.073 0.000 0.833 610 D CB -0.047 40.709 40.800 -0.074 0.000 0.946 610 D HN 0.183 nan 8.370 nan 0.000 0.505 611 R N 0.080 120.556 120.500 -0.040 0.000 3.532 611 R HA -0.121 4.219 4.340 -0.000 0.000 0.284 611 R C -0.584 175.701 176.300 -0.024 0.000 1.140 611 R CA 1.122 57.188 56.100 -0.057 0.000 0.768 611 R CB -3.005 27.296 30.300 0.001 0.000 1.252 611 R HN 0.465 nan 8.270 nan 0.000 0.454 612 T N -1.829 112.758 114.554 0.055 0.000 2.758 612 T HA 0.617 4.967 4.350 -0.000 0.000 0.285 612 T C -2.473 172.315 174.700 0.146 0.000 0.981 612 T CA -2.334 59.844 62.100 0.130 0.000 0.965 612 T CB 2.210 71.177 68.868 0.164 0.000 0.927 612 T HN -0.181 nan 8.240 nan 0.000 0.448 613 P HA 0.148 nan 4.420 nan 0.000 0.267 613 P C -0.016 177.272 177.300 -0.020 0.000 1.209 613 P CA -0.015 63.047 63.100 -0.063 0.000 0.763 613 P CB 0.198 31.873 31.700 -0.041 0.000 0.816 614 H N 5.461 124.296 119.070 -0.392 0.000 2.598 614 H HA 0.077 4.633 4.556 -0.000 0.000 0.371 614 H C -0.982 174.235 175.328 -0.186 0.000 1.468 614 H CA -1.178 54.657 56.048 -0.354 0.000 1.454 614 H CB -0.770 28.753 29.762 -0.398 0.000 1.579 614 H HN 0.328 nan 8.280 nan 0.000 0.611 615 P HA -0.055 nan 4.420 nan 0.000 0.217 615 P C 1.110 178.391 177.300 -0.031 0.000 1.154 615 P CA 1.840 64.915 63.100 -0.042 0.000 0.841 615 P CB -0.148 31.528 31.700 -0.041 0.000 0.788 616 A N 0.470 123.271 122.820 -0.031 0.000 1.896 616 A HA -0.269 4.051 4.320 -0.000 0.000 0.220 616 A C 2.204 179.719 177.584 -0.115 0.000 1.206 616 A CA 2.203 54.179 52.037 -0.100 0.000 0.647 616 A CB -1.882 17.023 19.000 -0.157 0.000 0.828 616 A HN 0.122 nan 8.150 nan 0.000 0.455 617 L N -0.404 120.759 121.223 -0.099 0.000 2.077 617 L HA -0.332 4.008 4.340 -0.000 0.000 0.231 617 L C 2.712 179.597 176.870 0.024 0.000 1.100 617 L CA 3.022 57.837 54.840 -0.041 0.000 0.819 617 L CB -1.233 40.803 42.059 -0.039 0.000 0.913 617 L HN 0.550 nan 8.230 nan 0.000 0.446 618 T N -1.571 113.010 114.554 0.045 0.000 2.685 618 T HA -0.299 4.051 4.350 -0.000 0.000 0.268 618 T C 1.679 176.485 174.700 0.178 0.000 1.034 618 T CA 1.547 63.729 62.100 0.137 0.000 1.149 618 T CB -0.356 68.549 68.868 0.063 0.000 0.860 618 T HN 0.365 nan 8.240 nan 0.000 0.449 619 E N 1.489 121.718 120.200 0.048 0.000 2.007 619 E HA -0.052 4.298 4.350 -0.000 0.000 0.194 619 E C 2.395 178.965 176.600 -0.049 0.000 0.999 619 E CA 1.533 57.954 56.400 0.035 0.000 0.811 619 E CB -0.928 28.732 29.700 -0.066 0.000 0.762 619 E HN 0.408 nan 8.360 nan 0.000 0.450 620 A N 1.371 124.012 122.820 -0.299 0.000 1.870 620 A HA -0.364 3.956 4.320 -0.000 0.000 0.219 620 A C 2.239 179.711 177.584 -0.187 0.000 1.224 620 A CA 2.907 54.711 52.037 -0.388 0.000 0.650 620 A CB -1.006 17.822 19.000 -0.287 0.000 0.836 620 A HN 0.369 nan 8.150 nan 0.000 0.454 621 K N -1.403 118.983 120.400 -0.023 0.000 2.113 621 K HA -0.280 4.040 4.320 -0.000 0.000 0.208 621 K C 2.084 178.596 176.600 -0.146 0.000 1.047 621 K CA 1.988 58.280 56.287 0.007 0.000 0.928 621 K CB -0.388 32.247 32.500 0.224 0.000 0.716 621 K HN 0.816 nan 8.250 nan 0.000 0.446 622 H N -0.601 118.332 119.070 -0.229 0.000 2.372 622 H HA -0.025 4.531 4.556 -0.000 0.000 0.301 622 H C 1.864 176.939 175.328 -0.422 0.000 1.065 622 H CA 0.891 56.618 56.048 -0.534 0.000 1.364 622 H CB 0.393 29.935 29.762 -0.367 0.000 1.406 622 H HN 0.251 nan 8.280 nan 0.000 0.521 623 Q N 0.924 120.492 119.800 -0.387 0.000 2.096 623 Q HA -0.148 4.192 4.340 -0.000 0.000 0.204 623 Q C 1.905 177.433 176.000 -0.787 0.000 0.982 623 Q CA 1.450 56.991 55.803 -0.437 0.000 0.850 623 Q CB -0.261 28.484 28.738 0.011 0.000 0.901 623 Q HN 0.699 nan 8.270 nan 0.000 0.422 624 Q N 1.099 120.348 119.800 -0.917 0.000 2.415 624 Q HA 0.010 4.350 4.340 -0.000 0.000 0.206 624 Q C 0.270 175.665 176.000 -1.008 0.000 0.946 624 Q CA -0.254 54.855 55.803 -1.155 0.000 0.951 624 Q CB -0.022 28.036 28.738 -1.132 0.000 1.026 624 Q HN 0.432 nan 8.270 nan 0.000 0.510 625 Q N -0.388 118.956 119.800 -0.761 0.000 2.428 625 Q HA -0.052 4.288 4.340 -0.000 0.000 0.276 625 Q C -0.343 175.204 176.000 -0.755 0.000 1.059 625 Q CA 0.307 55.746 55.803 -0.608 0.000 0.923 625 Q CB 0.394 28.921 28.738 -0.351 0.000 1.283 625 Q HN 0.186 nan 8.270 nan 0.000 0.447 626 F N 0.016 119.782 119.950 -0.307 0.000 2.743 626 F HA 0.258 4.785 4.527 -0.000 0.000 0.297 626 F C -0.012 175.304 175.800 -0.807 0.000 1.131 626 F CA -0.116 57.480 58.000 -0.673 0.000 1.426 626 F CB 0.329 38.608 39.000 -1.202 0.000 1.116 626 F HN 0.346 nan 8.300 nan 0.000 0.583 627 F N -0.017 119.784 119.950 -0.249 0.000 2.483 627 F HA 0.586 5.113 4.527 -0.000 0.000 0.329 627 F C -0.054 175.419 175.800 -0.546 0.000 1.064 627 F CA -1.066 56.699 58.000 -0.391 0.000 0.986 627 F CB 0.907 39.694 39.000 -0.355 0.000 1.218 627 F HN -0.308 nan 8.300 nan 0.000 0.484 628 Q N 1.705 121.131 119.800 -0.622 0.000 2.309 628 Q HA 0.460 4.800 4.340 -0.000 0.000 0.273 628 Q C -1.754 173.909 176.000 -0.561 0.000 1.040 628 Q CA -0.600 54.932 55.803 -0.451 0.000 0.834 628 Q CB 3.028 31.652 28.738 -0.190 0.000 1.345 628 Q HN 0.511 nan 8.270 nan 0.000 0.414 629 F N 0.178 120.260 119.950 0.220 0.000 2.577 629 F HA 0.671 5.198 4.527 -0.000 0.000 0.318 629 F C 0.246 176.268 175.800 0.370 0.000 1.065 629 F CA -0.871 57.327 58.000 0.329 0.000 0.929 629 F CB 1.799 41.148 39.000 0.582 0.000 1.237 629 F HN 0.147 nan 8.300 nan 0.000 0.468 630 R N 1.466 122.208 120.500 0.405 0.000 2.621 630 R HA 0.661 5.001 4.340 -0.000 0.000 0.284 630 R C -1.968 174.281 176.300 -0.085 0.000 0.998 630 R CA -1.114 55.107 56.100 0.201 0.000 0.895 630 R CB 3.010 33.370 30.300 0.101 0.000 1.195 630 R HN 0.653 nan 8.270 nan 0.000 0.450 631 L N 1.219 122.257 121.223 -0.307 0.000 2.319 631 L HA 0.440 4.780 4.340 -0.000 0.000 0.281 631 L C -0.905 175.789 176.870 -0.293 0.000 1.005 631 L CA 0.137 54.650 54.840 -0.546 0.000 0.828 631 L CB 1.922 43.263 42.059 -1.196 0.000 1.227 631 L HN 0.471 nan 8.230 nan 0.000 0.415 632 S N 3.835 119.406 115.700 -0.215 0.000 2.718 632 S HA 0.734 5.204 4.470 -0.000 0.000 0.294 632 S C 0.349 174.868 174.600 -0.135 0.000 1.157 632 S CA 0.231 58.347 58.200 -0.140 0.000 1.121 632 S CB 0.469 63.617 63.200 -0.087 0.000 1.015 632 S HN 1.309 nan 8.310 nan 0.000 0.479 633 G N 4.414 113.134 108.800 -0.132 0.000 2.523 633 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.271 633 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.271 633 G C -0.133 174.678 174.900 -0.148 0.000 1.146 633 G CA 0.509 45.539 45.100 -0.116 0.000 0.961 633 G HN 0.732 nan 8.290 nan 0.000 0.549 634 Q N 0.763 120.480 119.800 -0.139 0.000 2.201 634 Q HA 0.512 4.852 4.340 -0.000 0.000 0.236 634 Q C 0.060 175.949 176.000 -0.184 0.000 0.857 634 Q CA 0.570 56.271 55.803 -0.170 0.000 1.025 634 Q CB 0.437 29.082 28.738 -0.156 0.000 1.124 634 Q HN 0.517 nan 8.270 nan 0.000 0.473 635 T N 0.807 115.258 114.554 -0.171 0.000 2.792 635 T HA 0.582 4.932 4.350 -0.000 0.000 0.280 635 T C -0.184 174.415 174.700 -0.169 0.000 0.990 635 T CA -0.555 61.458 62.100 -0.146 0.000 0.960 635 T CB 1.124 69.931 68.868 -0.101 0.000 0.939 635 T HN 0.189 nan 8.240 nan 0.000 0.439 636 I N 2.451 122.940 120.570 -0.135 0.000 2.392 636 I HA 0.360 4.530 4.170 -0.000 0.000 0.295 636 I C 0.507 176.627 176.117 0.005 0.000 0.985 636 I CA -0.711 60.528 61.300 -0.102 0.000 1.221 636 I CB 1.701 39.683 38.000 -0.030 0.000 1.366 636 I HN 0.656 nan 8.210 nan 0.000 0.467 637 E N 6.332 126.559 120.200 0.045 0.000 2.063 637 E HA 0.354 4.704 4.350 -0.000 0.000 0.265 637 E C -1.325 175.329 176.600 0.090 0.000 0.919 637 E CA -0.583 55.852 56.400 0.058 0.000 0.756 637 E CB 1.156 30.873 29.700 0.028 0.000 1.120 637 E HN 0.412 nan 8.360 nan 0.000 0.414 638 V N 3.691 123.653 119.914 0.080 0.000 2.488 638 V HA 0.290 4.410 4.120 -0.000 0.000 0.277 638 V C 0.257 176.335 176.094 -0.027 0.000 1.046 638 V CA -0.336 61.974 62.300 0.016 0.000 0.986 638 V CB 1.277 33.163 31.823 0.106 0.000 0.989 638 V HN 0.629 nan 8.190 nan 0.000 0.475 639 T N 3.531 118.013 114.554 -0.119 0.000 2.881 639 T HA 0.314 4.664 4.350 -0.000 0.000 0.291 639 T C -0.118 174.449 174.700 -0.223 0.000 0.990 639 T CA -0.242 61.782 62.100 -0.126 0.000 0.976 639 T CB 1.562 70.357 68.868 -0.122 0.000 0.970 639 T HN 0.780 nan 8.240 nan 0.000 0.438 640 S N 2.045 117.602 115.700 -0.239 0.000 2.584 640 S HA 0.241 4.711 4.470 -0.000 0.000 0.273 640 S C 0.581 174.930 174.600 -0.417 0.000 1.311 640 S CA -0.385 57.537 58.200 -0.463 0.000 1.034 640 S CB 0.516 63.528 63.200 -0.314 0.000 0.939 640 S HN 0.723 nan 8.310 nan 0.000 0.513 641 E N 2.484 122.324 120.200 -0.600 0.000 2.685 641 E HA 0.133 4.483 4.350 -0.000 0.000 0.208 641 E C -1.234 175.122 176.600 -0.406 0.000 0.996 641 E CA -0.153 56.014 56.400 -0.387 0.000 1.054 641 E CB 0.391 29.920 29.700 -0.285 0.000 1.075 641 E HN 0.578 nan 8.360 nan 0.000 0.460 642 Y N 0.696 120.818 120.300 -0.297 0.000 2.316 642 Y HA 0.141 4.691 4.550 -0.000 0.000 0.331 642 Y C 1.224 176.896 175.900 -0.380 0.000 1.083 642 Y CA -0.436 57.455 58.100 -0.348 0.000 1.206 642 Y CB 0.732 38.985 38.460 -0.345 0.000 1.195 642 Y HN 0.043 nan 8.280 nan 0.000 0.497 643 L N 1.789 122.773 121.223 -0.398 0.000 2.102 643 L HA -0.098 4.242 4.340 -0.000 0.000 0.202 643 L C 1.078 177.468 176.870 -0.801 0.000 1.076 643 L CA 1.122 55.455 54.840 -0.844 0.000 0.761 643 L CB -0.176 40.965 42.059 -1.531 0.000 0.921 643 L HN 0.524 nan 8.230 nan 0.000 0.444 644 F N -0.363 119.568 119.950 -0.032 0.000 2.399 644 F HA 0.152 4.679 4.527 -0.000 0.000 0.282 644 F C 1.601 177.355 175.800 -0.078 0.000 1.027 644 F CA -0.612 57.344 58.000 -0.074 0.000 1.333 644 F CB -0.659 38.273 39.000 -0.113 0.000 1.132 644 F HN -0.074 nan 8.300 nan 0.000 0.590 645 R N 0.412 120.893 120.500 -0.030 0.000 2.637 645 R HA 0.335 4.675 4.340 -0.000 0.000 0.269 645 R C -0.882 175.396 176.300 -0.036 0.000 1.089 645 R CA -0.508 55.535 56.100 -0.096 0.000 1.177 645 R CB 0.295 30.428 30.300 -0.278 0.000 1.091 645 R HN 0.223 nan 8.270 nan 0.000 0.540 646 H N -0.401 118.634 119.070 -0.059 0.000 2.533 646 H HA 0.159 4.715 4.556 -0.000 0.000 0.343 646 H C -0.260 175.099 175.328 0.051 0.000 1.160 646 H CA -0.393 55.666 56.048 0.017 0.000 1.218 646 H CB 1.593 31.371 29.762 0.026 0.000 1.566 646 H HN 0.747 nan 8.280 nan 0.000 0.522 647 S N 2.277 117.849 115.700 -0.215 0.000 4.053 647 S HA -0.046 4.424 4.470 -0.000 0.000 0.184 647 S C 0.182 174.930 174.600 0.247 0.000 1.324 647 S CA -0.080 58.203 58.200 0.139 0.000 0.956 647 S CB -0.871 62.435 63.200 0.177 0.000 1.503 647 S HN 0.734 nan 8.310 nan 0.000 0.440 648 D N 0.834 121.388 120.400 0.257 0.000 2.340 648 D HA 0.010 4.650 4.640 -0.000 0.000 0.220 648 D C 0.501 176.864 176.300 0.106 0.000 1.039 648 D CA 0.115 54.230 54.000 0.192 0.000 0.866 648 D CB -0.272 40.607 40.800 0.131 0.000 0.913 648 D HN 0.521 nan 8.370 nan 0.000 0.523 649 N N -0.141 118.617 118.700 0.098 0.000 2.646 649 N HA 0.165 4.905 4.740 -0.000 0.000 0.296 649 N C -1.626 173.926 175.510 0.070 0.000 1.886 649 N CA -0.285 52.803 53.050 0.064 0.000 0.855 649 N CB 0.379 38.891 38.487 0.042 0.000 1.336 649 N HN -0.098 nan 8.380 nan 0.000 0.496 650 E N 0.169 120.404 120.200 0.059 0.000 2.241 650 E HA 0.397 4.747 4.350 -0.000 0.000 0.263 650 E C -1.575 175.005 176.600 -0.032 0.000 0.882 650 E CA -0.604 55.800 56.400 0.005 0.000 0.769 650 E CB 1.752 31.430 29.700 -0.036 0.000 1.185 650 E HN 0.076 nan 8.360 nan 0.000 0.415 651 L N 3.679 124.851 121.223 -0.086 0.000 2.313 651 L HA 0.528 4.868 4.340 -0.000 0.000 0.283 651 L C -1.436 175.309 176.870 -0.208 0.000 1.013 651 L CA -0.966 53.785 54.840 -0.148 0.000 0.816 651 L CB 1.378 43.312 42.059 -0.210 0.000 1.236 651 L HN 0.566 nan 8.230 nan 0.000 0.419 652 L N 5.249 126.419 121.223 -0.089 0.000 2.272 652 L HA 0.441 4.781 4.340 -0.000 0.000 0.289 652 L C -0.806 176.139 176.870 0.126 0.000 1.032 652 L CA 0.120 54.975 54.840 0.026 0.000 0.810 652 L CB 0.706 42.851 42.059 0.144 0.000 1.205 652 L HN 0.608 nan 8.230 nan 0.000 0.422 653 H N 5.677 124.822 119.070 0.126 0.000 2.511 653 H HA 0.407 4.963 4.556 -0.000 0.000 0.328 653 H C -1.272 174.132 175.328 0.127 0.000 1.044 653 H CA -0.740 55.342 56.048 0.057 0.000 1.212 653 H CB 0.984 30.737 29.762 -0.014 0.000 1.428 653 H HN 0.700 nan 8.280 nan 0.000 0.483 654 W N 5.413 126.819 121.300 0.177 0.000 2.587 654 W HA 0.575 5.235 4.660 -0.000 0.000 0.324 654 W C -1.932 174.638 176.519 0.086 0.000 1.040 654 W CA -1.244 56.177 57.345 0.126 0.000 1.222 654 W CB 1.434 30.964 29.460 0.116 0.000 1.381 654 W HN 0.406 nan 8.180 nan 0.000 0.483 655 M N 4.862 124.606 119.600 0.240 0.000 2.277 655 M HA 0.335 4.815 4.480 -0.000 0.000 0.282 655 M C -2.045 174.402 176.300 0.244 0.000 1.074 655 M CA -0.397 54.945 55.300 0.070 0.000 0.954 655 M CB 2.139 34.679 32.600 -0.101 0.000 1.672 655 M HN 0.271 nan 8.290 nan 0.000 0.471 656 V N 3.929 124.011 119.914 0.281 0.000 2.432 656 V HA 0.889 5.009 4.120 -0.000 0.000 0.275 656 V C 0.185 176.372 176.094 0.155 0.000 1.043 656 V CA -0.419 62.035 62.300 0.256 0.000 0.925 656 V CB 0.638 32.638 31.823 0.295 0.000 0.985 656 V HN 0.892 nan 8.190 nan 0.000 0.466 657 A N 4.866 127.789 122.820 0.171 0.000 2.515 657 A HA 0.826 5.146 4.320 -0.000 0.000 0.298 657 A C -1.565 176.131 177.584 0.187 0.000 1.059 657 A CA -0.593 51.520 52.037 0.126 0.000 0.698 657 A CB 1.796 20.830 19.000 0.056 0.000 1.289 657 A HN 0.673 nan 8.150 nan 0.000 0.404 658 L N 1.982 123.284 121.223 0.132 0.000 2.295 658 L HA 0.486 4.826 4.340 -0.000 0.000 0.281 658 L C -0.531 176.425 176.870 0.143 0.000 1.018 658 L CA 0.032 54.964 54.840 0.154 0.000 0.841 658 L CB 0.031 42.149 42.059 0.099 0.000 1.218 658 L HN 0.795 nan 8.230 nan 0.000 0.424 659 D N 4.675 125.225 120.400 0.249 0.000 2.692 659 D HA -0.200 4.440 4.640 -0.000 0.000 0.233 659 D C 1.224 177.525 176.300 0.002 0.000 1.172 659 D CA 1.458 55.578 54.000 0.199 0.000 0.636 659 D CB -1.042 39.862 40.800 0.172 0.000 1.028 659 D HN 1.112 nan 8.370 nan 0.000 0.419 660 G N -1.013 107.745 108.800 -0.069 0.000 2.194 660 G HA2 -0.355 3.605 3.960 -0.000 0.000 0.236 660 G HA3 -0.355 3.605 3.960 -0.000 0.000 0.236 660 G C 0.221 175.045 174.900 -0.126 0.000 0.987 660 G CA 0.272 45.248 45.100 -0.208 0.000 0.635 660 G HN 0.457 nan 8.290 nan 0.000 0.520 661 K N 2.075 122.449 120.400 -0.042 0.000 2.263 661 K HA 0.497 4.817 4.320 -0.000 0.000 0.282 661 K C -2.591 174.004 176.600 -0.007 0.000 1.089 661 K CA -1.871 54.400 56.287 -0.027 0.000 0.907 661 K CB 1.551 34.051 32.500 -0.001 0.000 1.148 661 K HN 0.045 nan 8.250 nan 0.000 0.470 662 P HA 0.001 nan 4.420 nan 0.000 0.269 662 P C -0.120 177.176 177.300 -0.007 0.000 1.263 662 P CA 0.217 63.300 63.100 -0.028 0.000 0.813 662 P CB 0.442 32.102 31.700 -0.067 0.000 0.868 663 L N 1.773 123.014 121.223 0.029 0.000 2.408 663 L HA 0.466 4.806 4.340 -0.000 0.000 0.215 663 L C 0.971 177.869 176.870 0.047 0.000 1.081 663 L CA 0.290 55.155 54.840 0.041 0.000 0.840 663 L CB -0.115 41.984 42.059 0.066 0.000 1.002 663 L HN 0.262 nan 8.230 nan 0.000 0.468 664 A N -0.537 122.316 122.820 0.055 0.000 2.566 664 A HA 0.738 5.058 4.320 -0.000 0.000 0.297 664 A C -0.886 176.554 177.584 -0.240 0.000 1.059 664 A CA -0.307 51.751 52.037 0.035 0.000 0.691 664 A CB 1.650 20.807 19.000 0.261 0.000 1.282 664 A HN -0.039 nan 8.150 nan 0.000 0.401 665 S N -0.593 114.745 115.700 -0.604 0.000 2.569 665 S HA 0.960 5.430 4.470 -0.000 0.000 0.280 665 S C -0.085 173.692 174.600 -1.372 0.000 1.111 665 S CA -0.139 57.403 58.200 -1.098 0.000 0.887 665 S CB 2.137 64.989 63.200 -0.580 0.000 1.095 665 S HN 1.969 nan 8.310 nan 0.000 0.476 666 G N 0.607 108.312 108.800 -1.825 0.000 2.646 666 G HA2 0.657 4.617 3.960 -0.000 0.000 0.291 666 G HA3 0.657 4.617 3.960 -0.000 0.000 0.291 666 G C -2.351 172.304 174.900 -0.408 0.000 1.445 666 G CA -0.837 43.767 45.100 -0.827 0.000 0.814 666 G HN 0.591 nan 8.290 nan 0.000 0.495 667 E N -0.437 119.838 120.200 0.125 0.000 2.263 667 E HA 0.569 4.919 4.350 -0.000 0.000 0.268 667 E C -1.356 175.425 176.600 0.302 0.000 0.884 667 E CA -0.881 55.715 56.400 0.328 0.000 0.766 667 E CB 3.082 33.027 29.700 0.408 0.000 1.196 667 E HN 0.292 nan 8.360 nan 0.000 0.416 668 V N 2.969 123.058 119.914 0.292 0.000 2.638 668 V HA 0.419 4.539 4.120 -0.000 0.000 0.306 668 V C -2.391 173.787 176.094 0.140 0.000 1.052 668 V CA -2.220 60.205 62.300 0.208 0.000 0.885 668 V CB 2.022 33.969 31.823 0.207 0.000 0.999 668 V HN 0.600 nan 8.190 nan 0.000 0.424 669 P HA 0.277 nan 4.420 nan 0.000 0.276 669 P C -0.457 176.894 177.300 0.085 0.000 1.230 669 P CA -0.118 63.031 63.100 0.081 0.000 0.776 669 P CB 0.902 32.651 31.700 0.082 0.000 0.888 670 L N 2.818 124.080 121.223 0.065 0.000 2.453 670 L HA 0.320 4.660 4.340 -0.000 0.000 0.261 670 L C 0.556 177.496 176.870 0.116 0.000 1.179 670 L CA 0.551 55.433 54.840 0.070 0.000 0.813 670 L CB 0.435 42.495 42.059 0.002 0.000 1.110 670 L HN 0.415 nan 8.230 nan 0.000 0.466 671 D N 1.563 122.036 120.400 0.121 0.000 2.914 671 D HA 0.282 4.922 4.640 -0.000 0.000 0.236 671 D C -1.562 174.766 176.300 0.048 0.000 1.405 671 D CA -0.140 53.981 54.000 0.203 0.000 0.900 671 D CB 0.664 41.611 40.800 0.245 0.000 1.518 671 D HN 0.071 nan 8.370 nan 0.000 0.548 672 V N 0.537 120.283 119.914 -0.281 0.000 2.709 672 V HA 0.935 5.055 4.120 -0.000 0.000 0.308 672 V C 0.621 176.382 176.094 -0.555 0.000 1.062 672 V CA -1.233 60.927 62.300 -0.233 0.000 0.901 672 V CB 1.571 33.388 31.823 -0.010 0.000 1.003 672 V HN 0.538 nan 8.190 nan 0.000 0.425 673 A N 5.408 128.122 122.820 -0.177 0.000 2.401 673 A HA 0.739 5.059 4.320 -0.000 0.000 0.259 673 A C -2.309 175.256 177.584 -0.031 0.000 1.103 673 A CA -1.507 50.532 52.037 0.003 0.000 0.789 673 A CB -0.159 18.912 19.000 0.117 0.000 1.035 673 A HN 0.711 nan 8.150 nan 0.000 0.491 674 P HA -0.060 nan 4.420 nan 0.000 0.261 674 P C -0.114 177.151 177.300 -0.058 0.000 1.165 674 P CA 0.788 63.871 63.100 -0.029 0.000 0.759 674 P CB 0.148 31.832 31.700 -0.026 0.000 0.772 675 Q N -1.073 118.666 119.800 -0.102 0.000 2.362 675 Q HA -0.192 4.148 4.340 -0.000 0.000 0.220 675 Q C 0.797 176.756 176.000 -0.068 0.000 0.713 675 Q CA 1.337 57.081 55.803 -0.098 0.000 1.345 675 Q CB -2.030 26.658 28.738 -0.084 0.000 1.570 675 Q HN 0.770 nan 8.270 nan 0.000 0.701 676 G N 0.301 109.067 108.800 -0.057 0.000 2.531 676 G HA2 0.580 4.540 3.960 -0.000 0.000 0.313 676 G HA3 0.580 4.540 3.960 -0.000 0.000 0.313 676 G C -0.495 174.386 174.900 -0.033 0.000 1.238 676 G CA -0.549 44.533 45.100 -0.030 0.000 0.994 676 G HN -0.034 nan 8.290 nan 0.000 0.493 677 K N -0.495 119.900 120.400 -0.009 0.000 2.318 677 K HA 0.434 4.754 4.320 -0.000 0.000 0.249 677 K C -0.890 175.724 176.600 0.023 0.000 0.942 677 K CA -0.566 55.721 56.287 0.000 0.000 0.808 677 K CB 2.582 35.081 32.500 -0.002 0.000 1.189 677 K HN 0.530 nan 8.250 nan 0.000 0.428 678 Q N 2.547 122.369 119.800 0.037 0.000 2.375 678 Q HA 0.425 4.765 4.340 -0.000 0.000 0.271 678 Q C -1.553 174.475 176.000 0.047 0.000 1.074 678 Q CA -0.707 55.127 55.803 0.052 0.000 0.808 678 Q CB 1.456 30.239 28.738 0.075 0.000 1.327 678 Q HN 0.481 nan 8.270 nan 0.000 0.441 679 L N 5.873 127.118 121.223 0.038 0.000 2.324 679 L HA 0.476 4.816 4.340 -0.000 0.000 0.274 679 L C -0.706 176.174 176.870 0.017 0.000 1.012 679 L CA -0.585 54.267 54.840 0.021 0.000 0.859 679 L CB 1.059 43.122 42.059 0.006 0.000 1.224 679 L HN 0.632 nan 8.230 nan 0.000 0.429 680 I N 2.458 123.038 120.570 0.016 0.000 2.312 680 I HA 0.288 4.458 4.170 -0.000 0.000 0.290 680 I C 0.347 176.428 176.117 -0.060 0.000 1.008 680 I CA -0.446 60.853 61.300 -0.001 0.000 1.226 680 I CB 1.463 39.480 38.000 0.029 0.000 1.371 680 I HN 0.581 nan 8.210 nan 0.000 0.468 681 E N 5.522 125.681 120.200 -0.068 0.000 2.319 681 E HA 0.554 4.904 4.350 -0.000 0.000 0.268 681 E C -0.941 175.550 176.600 -0.181 0.000 1.050 681 E CA -0.585 55.750 56.400 -0.108 0.000 0.878 681 E CB 1.648 31.303 29.700 -0.076 0.000 1.066 681 E HN 0.439 nan 8.360 nan 0.000 0.406 682 L N 3.425 124.508 121.223 -0.235 0.000 2.334 682 L HA 0.479 4.819 4.340 -0.000 0.000 0.273 682 L C -2.105 174.621 176.870 -0.240 0.000 1.013 682 L CA -2.264 52.360 54.840 -0.360 0.000 0.816 682 L CB 1.106 42.833 42.059 -0.554 0.000 1.278 682 L HN 0.415 nan 8.230 nan 0.000 0.431 683 P HA 0.006 nan 4.420 nan 0.000 0.269 683 P C -0.628 176.618 177.300 -0.091 0.000 1.215 683 P CA -0.420 62.623 63.100 -0.095 0.000 0.780 683 P CB 0.422 32.118 31.700 -0.006 0.000 0.898 684 E N 1.379 121.554 120.200 -0.042 0.000 2.765 684 E HA -0.035 4.315 4.350 -0.000 0.000 0.256 684 E C -0.479 176.110 176.600 -0.020 0.000 0.935 684 E CA 0.165 56.545 56.400 -0.034 0.000 0.954 684 E CB -0.078 29.615 29.700 -0.011 0.000 0.908 684 E HN 0.272 nan 8.360 nan 0.000 0.500 685 L N 6.580 127.784 121.223 -0.032 0.000 2.399 685 L HA 0.397 4.737 4.340 -0.000 0.000 0.266 685 L C -1.663 175.220 176.870 0.023 0.000 1.114 685 L CA -2.241 52.600 54.840 0.001 0.000 0.804 685 L CB 0.515 42.564 42.059 -0.017 0.000 1.146 685 L HN 0.611 nan 8.230 nan 0.000 0.451 686 P HA 0.073 nan 4.420 nan 0.000 0.269 686 P C -1.454 175.865 177.300 0.033 0.000 1.209 686 P CA -0.234 62.894 63.100 0.046 0.000 0.776 686 P CB 0.563 32.301 31.700 0.064 0.000 0.876 687 Q N 2.600 122.415 119.800 0.024 0.000 2.401 687 Q HA 0.404 4.744 4.340 -0.000 0.000 0.260 687 Q C -2.056 173.956 176.000 0.020 0.000 1.034 687 Q CA -1.632 54.182 55.803 0.017 0.000 0.737 687 Q CB 1.126 29.869 28.738 0.008 0.000 1.227 687 Q HN 0.429 nan 8.270 nan 0.000 0.488 688 P HA 0.197 nan 4.420 nan 0.000 0.278 688 P C -0.030 177.282 177.300 0.021 0.000 1.258 688 P CA -0.428 62.688 63.100 0.026 0.000 0.811 688 P CB 1.591 33.311 31.700 0.034 0.000 1.063 689 E N -0.370 119.843 120.200 0.022 0.000 2.206 689 E HA 0.048 4.398 4.350 -0.000 0.000 0.195 689 E C 0.303 176.917 176.600 0.024 0.000 0.935 689 E CA 0.255 56.666 56.400 0.020 0.000 0.875 689 E CB -0.201 29.510 29.700 0.018 0.000 0.841 689 E HN 0.434 nan 8.360 nan 0.000 0.477 690 S N 1.850 117.567 115.700 0.027 0.000 2.537 690 S HA 0.116 4.586 4.470 -0.000 0.000 0.280 690 S C 0.321 174.943 174.600 0.036 0.000 1.335 690 S CA 0.031 58.250 58.200 0.032 0.000 1.025 690 S CB 0.477 63.698 63.200 0.035 0.000 0.836 690 S HN 0.339 nan 8.310 nan 0.000 0.523 691 A N 1.190 124.034 122.820 0.041 0.000 2.304 691 A HA 0.778 5.098 4.320 -0.000 0.000 0.271 691 A C 0.859 178.477 177.584 0.057 0.000 1.091 691 A CA 0.201 52.265 52.037 0.044 0.000 0.812 691 A CB -0.091 18.937 19.000 0.047 0.000 1.056 691 A HN 1.913 nan 8.150 nan 0.000 0.489 692 G N -0.469 108.367 108.800 0.059 0.000 2.347 692 G HA2 0.238 4.198 3.960 -0.000 0.000 0.477 692 G HA3 0.238 4.198 3.960 -0.000 0.000 0.477 692 G C -1.018 173.925 174.900 0.072 0.000 1.349 692 G CA -0.800 44.350 45.100 0.084 0.000 1.000 692 G HN 0.879 nan 8.290 nan 0.000 0.605 693 Q N -0.504 119.365 119.800 0.116 0.000 2.296 693 Q HA 0.520 4.860 4.340 -0.000 0.000 0.257 693 Q C -0.291 175.785 176.000 0.126 0.000 0.942 693 Q CA -0.713 55.133 55.803 0.071 0.000 0.939 693 Q CB 1.425 30.262 28.738 0.165 0.000 1.198 693 Q HN 0.506 nan 8.270 nan 0.000 0.429 694 L N 4.834 126.039 121.223 -0.030 0.000 2.278 694 L HA 0.319 4.659 4.340 -0.000 0.000 0.287 694 L C -1.633 175.183 176.870 -0.090 0.000 1.072 694 L CA 0.215 55.068 54.840 0.021 0.000 0.819 694 L CB 0.183 42.237 42.059 -0.009 0.000 1.176 694 L HN 0.579 nan 8.230 nan 0.000 0.435 695 W N 6.026 127.385 121.300 0.099 0.000 2.471 695 W HA 0.453 5.113 4.660 -0.000 0.000 0.318 695 W C -0.704 175.914 176.519 0.164 0.000 1.034 695 W CA -0.774 56.649 57.345 0.130 0.000 1.224 695 W CB 1.418 30.978 29.460 0.166 0.000 1.335 695 W HN 0.232 nan 8.180 nan 0.000 0.452 696 L N 4.099 125.558 121.223 0.394 0.000 2.290 696 L HA 0.601 4.941 4.340 -0.000 0.000 0.284 696 L C -0.071 177.071 176.870 0.453 0.000 1.078 696 L CA 0.557 55.644 54.840 0.412 0.000 0.815 696 L CB 0.610 42.909 42.059 0.399 0.000 1.162 696 L HN 0.313 nan 8.230 nan 0.000 0.435 697 T N 5.123 119.899 114.554 0.371 0.000 2.848 697 T HA 0.643 4.993 4.350 -0.000 0.000 0.285 697 T C -0.969 173.890 174.700 0.264 0.000 0.995 697 T CA -0.441 61.817 62.100 0.264 0.000 0.970 697 T CB 1.464 70.433 68.868 0.168 0.000 0.976 697 T HN 0.528 nan 8.240 nan 0.000 0.441 698 V N 2.285 122.305 119.914 0.177 0.000 2.540 698 V HA 0.895 5.015 4.120 -0.000 0.000 0.302 698 V C -0.887 175.248 176.094 0.069 0.000 1.035 698 V CA -1.310 61.069 62.300 0.131 0.000 0.873 698 V CB 1.536 33.392 31.823 0.055 0.000 0.992 698 V HN 0.920 nan 8.190 nan 0.000 0.428 699 R N 3.062 123.640 120.500 0.130 0.000 2.574 699 R HA 0.816 5.156 4.340 -0.000 0.000 0.288 699 R C -1.596 174.759 176.300 0.091 0.000 1.004 699 R CA -0.786 55.406 56.100 0.153 0.000 0.895 699 R CB 2.111 32.519 30.300 0.179 0.000 1.191 699 R HN 0.479 nan 8.270 nan 0.000 0.444 700 V N 3.740 123.709 119.914 0.092 0.000 2.406 700 V HA 0.375 4.495 4.120 -0.000 0.000 0.272 700 V C -0.041 176.046 176.094 -0.012 0.000 1.043 700 V CA -0.477 61.818 62.300 -0.009 0.000 0.915 700 V CB 1.424 33.197 31.823 -0.084 0.000 0.988 700 V HN 0.617 nan 8.190 nan 0.000 0.466 701 V N 3.561 123.413 119.914 -0.103 0.000 2.769 701 V HA 0.538 4.658 4.120 -0.000 0.000 0.312 701 V C -0.451 175.626 176.094 -0.028 0.000 1.061 701 V CA -1.015 61.243 62.300 -0.070 0.000 0.931 701 V CB 1.820 33.549 31.823 -0.156 0.000 1.010 701 V HN 0.786 nan 8.190 nan 0.000 0.433 702 Q N 3.535 123.362 119.800 0.044 0.000 2.430 702 Q HA 0.332 4.672 4.340 -0.000 0.000 0.245 702 Q C -1.704 174.311 176.000 0.026 0.000 1.021 702 Q CA -1.887 53.949 55.803 0.054 0.000 0.867 702 Q CB 1.952 30.756 28.738 0.110 0.000 1.210 702 Q HN 0.563 nan 8.270 nan 0.000 0.487 703 P HA -0.200 nan 4.420 nan 0.000 0.216 703 P C -0.662 176.641 177.300 0.005 0.000 1.153 703 P CA 1.407 64.515 63.100 0.013 0.000 0.858 703 P CB 0.270 31.979 31.700 0.015 0.000 0.789 704 N N -1.046 117.647 118.700 -0.013 0.000 2.335 704 N HA 0.494 5.234 4.740 -0.000 0.000 0.304 704 N C -0.358 175.104 175.510 -0.080 0.000 1.135 704 N CA -0.880 52.149 53.050 -0.035 0.000 0.817 704 N CB 0.727 39.195 38.487 -0.031 0.000 1.294 704 N HN 0.016 nan 8.380 nan 0.000 0.497 705 A N 0.448 123.212 122.820 -0.094 0.000 2.307 705 A HA 0.592 4.912 4.320 -0.000 0.000 0.271 705 A C 0.376 177.807 177.584 -0.256 0.000 1.188 705 A CA 0.387 52.325 52.037 -0.164 0.000 0.810 705 A CB -0.320 18.608 19.000 -0.119 0.000 1.123 705 A HN 0.971 nan 8.150 nan 0.000 0.509 706 T N -5.288 109.032 114.554 -0.390 0.000 2.957 706 T HA 0.550 4.900 4.350 -0.000 0.000 0.336 706 T C 0.551 174.982 174.700 -0.449 0.000 1.462 706 T CA 0.247 62.041 62.100 -0.510 0.000 1.073 706 T CB 0.883 69.127 68.868 -1.041 0.000 1.319 706 T HN 1.935 nan 8.240 nan 0.000 0.485 707 A N 1.680 124.377 122.820 -0.204 0.000 2.023 707 A HA -0.093 4.227 4.320 -0.000 0.000 0.223 707 A C 1.714 179.332 177.584 0.057 0.000 1.180 707 A CA 2.176 54.238 52.037 0.041 0.000 0.659 707 A CB -1.048 18.119 19.000 0.279 0.000 0.817 707 A HN 1.079 nan 8.150 nan 0.000 0.466 708 W N -1.374 119.931 121.300 0.008 0.000 3.127 708 W HA 0.445 5.105 4.660 -0.000 0.000 0.344 708 W C 0.067 176.503 176.519 -0.139 0.000 1.151 708 W CA 0.495 57.783 57.345 -0.095 0.000 1.765 708 W CB -0.850 28.542 29.460 -0.113 0.000 1.085 708 W HN 0.555 nan 8.180 nan 0.000 0.596 709 S N 1.137 116.413 115.700 -0.707 0.000 2.546 709 S HA 0.336 4.805 4.470 -0.000 0.000 0.272 709 S C -0.669 173.702 174.600 -0.381 0.000 1.140 709 S CA -0.669 57.158 58.200 -0.622 0.000 0.920 709 S CB 2.248 64.757 63.200 -1.151 0.000 1.083 709 S HN 0.191 nan 8.310 nan 0.000 0.476 710 E N 2.302 122.401 120.200 -0.168 0.000 2.343 710 E HA 0.529 4.879 4.350 -0.000 0.000 0.269 710 E C 0.570 177.157 176.600 -0.023 0.000 1.047 710 E CA -0.834 55.526 56.400 -0.067 0.000 0.874 710 E CB 0.732 30.431 29.700 -0.002 0.000 1.033 710 E HN 0.895 nan 8.360 nan 0.000 0.409 711 A N 1.638 124.448 122.820 -0.018 0.000 2.586 711 A HA 0.276 4.596 4.320 -0.000 0.000 0.231 711 A C 1.378 178.993 177.584 0.051 0.000 1.055 711 A CA 0.785 52.827 52.037 0.008 0.000 0.756 711 A CB -0.702 18.301 19.000 0.005 0.000 0.988 711 A HN 1.036 nan 8.150 nan 0.000 0.509 712 G N -0.004 108.832 108.800 0.059 0.000 2.155 712 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.257 712 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.257 712 G C 0.355 175.319 174.900 0.107 0.000 0.983 712 G CA 0.655 45.800 45.100 0.075 0.000 0.676 712 G HN 1.478 nan 8.290 nan 0.000 0.528 713 H N 0.428 119.522 119.070 0.039 0.000 2.929 713 H HA 0.267 4.823 4.556 -0.000 0.000 0.358 713 H C 0.376 175.781 175.328 0.128 0.000 1.111 713 H CA 0.504 56.604 56.048 0.086 0.000 1.409 713 H CB 0.335 30.149 29.762 0.086 0.000 1.373 713 H HN 0.208 nan 8.280 nan 0.000 0.610 714 I N 4.654 124.939 120.570 -0.475 0.000 2.330 714 I HA -0.024 4.146 4.170 -0.000 0.000 0.289 714 I C 1.408 177.448 176.117 -0.128 0.000 1.001 714 I CA -0.335 60.856 61.300 -0.180 0.000 1.193 714 I CB 1.475 39.452 38.000 -0.038 0.000 1.345 714 I HN 0.565 nan 8.210 nan 0.000 0.461 715 S N 4.849 120.633 115.700 0.139 0.000 2.371 715 S HA 0.327 4.797 4.470 -0.000 0.000 0.219 715 S C 0.846 175.613 174.600 0.279 0.000 1.040 715 S CA 0.242 58.625 58.200 0.305 0.000 0.958 715 S CB 0.349 63.802 63.200 0.422 0.000 0.860 715 S HN 0.727 nan 8.310 nan 0.000 0.487 716 A N 0.282 123.264 122.820 0.270 0.000 2.527 716 A HA 0.735 5.054 4.320 -0.000 0.000 0.293 716 A C -1.817 175.949 177.584 0.303 0.000 1.117 716 A CA -0.924 51.217 52.037 0.172 0.000 0.723 716 A CB 0.903 20.078 19.000 0.292 0.000 1.313 716 A HN 0.952 nan 8.150 nan 0.000 0.411 717 W N -0.417 120.988 121.300 0.175 0.000 3.419 717 W HA 0.730 5.390 4.660 -0.000 0.000 0.298 717 W C -1.380 175.100 176.519 -0.064 0.000 1.260 717 W CA -0.468 56.867 57.345 -0.016 0.000 1.199 717 W CB 0.974 30.413 29.460 -0.035 0.000 1.349 717 W HN 0.846 nan 8.180 nan 0.000 0.557 718 Q N 2.015 121.725 119.800 -0.150 0.000 2.456 718 Q HA 0.581 4.921 4.340 -0.000 0.000 0.284 718 Q C -1.424 174.263 176.000 -0.523 0.000 1.061 718 Q CA -0.692 54.850 55.803 -0.435 0.000 0.799 718 Q CB 2.684 30.871 28.738 -0.919 0.000 1.445 718 Q HN 0.607 nan 8.270 nan 0.000 0.411 719 Q N 1.846 121.209 119.800 -0.728 0.000 2.353 719 Q HA 0.516 4.856 4.340 -0.000 0.000 0.275 719 Q C -1.497 174.210 176.000 -0.488 0.000 1.029 719 Q CA -0.676 54.880 55.803 -0.411 0.000 0.848 719 Q CB 1.523 30.304 28.738 0.072 0.000 1.390 719 Q HN 0.621 nan 8.270 nan 0.000 0.401 720 W N 1.848 123.295 121.300 0.245 0.000 2.882 720 W HA 0.532 5.192 4.660 -0.000 0.000 0.345 720 W C -0.411 176.097 176.519 -0.018 0.000 1.125 720 W CA -0.849 56.569 57.345 0.122 0.000 1.167 720 W CB 2.127 31.617 29.460 0.049 0.000 1.431 720 W HN 0.733 nan 8.180 nan 0.000 0.543 721 R N 2.049 122.460 120.500 -0.149 0.000 2.239 721 R HA 0.350 4.690 4.340 -0.000 0.000 0.332 721 R C 0.502 176.591 176.300 -0.352 0.000 0.988 721 R CA -0.202 55.445 56.100 -0.756 0.000 0.859 721 R CB 0.426 29.976 30.300 -1.249 0.000 1.148 721 R HN 0.535 nan 8.270 nan 0.000 0.482 722 L N 2.694 123.783 121.223 -0.223 0.000 1.961 722 L HA 0.151 4.491 4.340 -0.000 0.000 0.209 722 L C 1.172 177.949 176.870 -0.156 0.000 1.075 722 L CA 1.473 56.238 54.840 -0.124 0.000 0.749 722 L CB -0.476 41.552 42.059 -0.051 0.000 0.890 722 L HN 0.679 nan 8.230 nan 0.000 0.433 723 A N -0.994 121.727 122.820 -0.164 0.000 2.686 723 A HA 0.718 5.038 4.320 -0.000 0.000 0.263 723 A C -1.119 176.379 177.584 -0.144 0.000 1.264 723 A CA -0.308 51.651 52.037 -0.131 0.000 0.799 723 A CB 1.721 20.679 19.000 -0.071 0.000 1.363 723 A HN 0.186 nan 8.150 nan 0.000 0.507 724 E N -0.307 119.844 120.200 -0.083 0.000 2.422 724 E HA 0.284 4.634 4.350 -0.000 0.000 0.289 724 E C -2.166 174.420 176.600 -0.022 0.000 0.985 724 E CA -0.608 55.758 56.400 -0.056 0.000 0.812 724 E CB 1.129 30.787 29.700 -0.071 0.000 1.226 724 E HN 0.520 nan 8.360 nan 0.000 0.419 725 N N 4.477 123.176 118.700 -0.001 0.000 2.511 725 N HA 0.333 5.073 4.740 -0.000 0.000 0.249 725 N C -0.651 174.871 175.510 0.020 0.000 0.971 725 N CA -0.337 52.719 53.050 0.011 0.000 0.938 725 N CB 1.229 39.727 38.487 0.018 0.000 1.131 725 N HN 0.486 nan 8.380 nan 0.000 0.505 726 L N 1.046 122.279 121.223 0.017 0.000 2.426 726 L HA 0.143 4.483 4.340 -0.000 0.000 0.271 726 L C 1.112 178.001 176.870 0.031 0.000 1.169 726 L CA -0.117 54.739 54.840 0.026 0.000 0.836 726 L CB 0.756 42.828 42.059 0.021 0.000 1.112 726 L HN 0.432 nan 8.230 nan 0.000 0.465 727 S N 2.502 118.225 115.700 0.040 0.000 2.465 727 S HA 0.229 4.699 4.470 -0.000 0.000 0.279 727 S C 0.427 175.048 174.600 0.035 0.000 1.201 727 S CA -0.864 57.360 58.200 0.040 0.000 1.053 727 S CB 1.201 64.431 63.200 0.049 0.000 0.953 727 S HN 0.466 nan 8.310 nan 0.000 0.488 728 V N 2.333 122.264 119.914 0.029 0.000 3.271 728 V HA 0.322 4.442 4.120 -0.000 0.000 0.327 728 V C 0.826 176.936 176.094 0.025 0.000 1.389 728 V CA 0.180 62.495 62.300 0.025 0.000 1.156 728 V CB -1.222 30.613 31.823 0.020 0.000 1.103 728 V HN 0.933 nan 8.190 nan 0.000 0.453 729 T N 0.436 115.007 114.554 0.029 0.000 2.882 729 T HA 0.636 4.986 4.350 -0.000 0.000 0.287 729 T C -0.238 174.478 174.700 0.027 0.000 1.014 729 T CA -0.432 61.684 62.100 0.027 0.000 1.049 729 T CB 1.348 70.233 68.868 0.028 0.000 1.001 729 T HN 0.379 nan 8.240 nan 0.000 0.525 730 L N 2.453 123.689 121.223 0.023 0.000 2.322 730 L HA 0.519 4.859 4.340 -0.000 0.000 0.279 730 L C -1.894 174.988 176.870 0.021 0.000 1.036 730 L CA -2.417 52.435 54.840 0.020 0.000 0.807 730 L CB 0.756 42.822 42.059 0.013 0.000 1.226 730 L HN 0.574 nan 8.230 nan 0.000 0.433 731 P HA 0.207 nan 4.420 nan 0.000 0.271 731 P C -0.339 176.969 177.300 0.013 0.000 1.226 731 P CA -0.350 62.764 63.100 0.023 0.000 0.765 731 P CB 0.903 32.617 31.700 0.023 0.000 0.835 732 A N 3.392 126.224 122.820 0.019 0.000 2.547 732 A HA 0.388 4.708 4.320 -0.000 0.000 0.233 732 A C 0.880 178.456 177.584 -0.012 0.000 1.067 732 A CA 0.165 52.209 52.037 0.012 0.000 0.763 732 A CB -0.399 18.621 19.000 0.034 0.000 1.007 732 A HN 0.751 nan 8.150 nan 0.000 0.506 733 A N 1.720 124.511 122.820 -0.048 0.000 2.492 733 A HA 0.483 4.803 4.320 -0.000 0.000 0.236 733 A C 0.894 178.373 177.584 -0.175 0.000 1.078 733 A CA 0.513 52.480 52.037 -0.116 0.000 0.773 733 A CB -0.363 18.535 19.000 -0.169 0.000 1.023 733 A HN 1.939 nan 8.150 nan 0.000 0.504 734 S N -0.643 114.937 115.700 -0.200 0.000 2.593 734 S HA 0.553 5.023 4.470 -0.000 0.000 0.297 734 S C -0.320 174.052 174.600 -0.380 0.000 1.112 734 S CA -0.601 57.499 58.200 -0.167 0.000 1.043 734 S CB 0.991 64.174 63.200 -0.029 0.000 1.054 734 S HN 0.645 nan 8.310 nan 0.000 0.516 735 H N 0.243 119.319 119.070 0.009 0.000 2.505 735 H HA 0.724 5.280 4.556 -0.000 0.000 0.289 735 H C 0.479 175.810 175.328 0.005 0.000 1.052 735 H CA 0.632 56.683 56.048 0.006 0.000 1.156 735 H CB 0.220 29.986 29.762 0.006 0.000 1.507 735 H HN 0.919 nan 8.280 nan 0.000 0.548 736 A N 0.689 123.551 122.820 0.070 0.000 2.410 736 A HA 0.569 4.889 4.320 -0.000 0.000 0.300 736 A C -1.676 175.927 177.584 0.031 0.000 1.077 736 A CA -0.559 51.510 52.037 0.052 0.000 0.610 736 A CB 0.696 19.740 19.000 0.073 0.000 1.371 736 A HN 0.274 nan 8.150 nan 0.000 0.510 737 I N -2.467 118.121 120.570 0.031 0.000 2.743 737 I HA 0.676 4.846 4.170 -0.000 0.000 0.292 737 I C -3.036 173.109 176.117 0.046 0.000 1.343 737 I CA -2.124 59.190 61.300 0.022 0.000 1.038 737 I CB 2.128 40.127 38.000 -0.001 0.000 1.311 737 I HN 0.435 nan 8.210 nan 0.000 0.426 738 P HA -0.081 nan 4.420 nan 0.000 0.271 738 P C -1.199 176.182 177.300 0.134 0.000 1.197 738 P CA 0.480 63.634 63.100 0.091 0.000 0.777 738 P CB 0.136 31.848 31.700 0.020 0.000 0.827 739 H N 1.589 120.680 119.070 0.036 0.000 2.595 739 H HA 0.353 4.909 4.556 -0.000 0.000 0.313 739 H C -0.843 174.494 175.328 0.016 0.000 1.023 739 H CA -1.151 54.905 56.048 0.015 0.000 1.218 739 H CB 0.635 30.406 29.762 0.015 0.000 1.403 739 H HN 0.194 nan 8.280 nan 0.000 0.477 740 L N 6.415 127.575 121.223 -0.105 0.000 2.342 740 L HA 0.211 4.551 4.340 -0.000 0.000 0.285 740 L C -0.370 176.309 176.870 -0.319 0.000 1.095 740 L CA 0.183 54.901 54.840 -0.203 0.000 0.843 740 L CB 0.632 42.595 42.059 -0.160 0.000 1.201 740 L HN 0.573 nan 8.230 nan 0.000 0.445 741 T N 2.724 117.100 114.554 -0.296 0.000 2.884 741 T HA 0.704 5.054 4.350 -0.000 0.000 0.277 741 T C -0.398 174.258 174.700 -0.074 0.000 0.976 741 T CA -0.590 61.386 62.100 -0.206 0.000 0.956 741 T CB 1.306 70.067 68.868 -0.178 0.000 1.113 741 T HN 0.643 nan 8.240 nan 0.000 0.554 742 T N 0.888 115.441 114.554 -0.001 0.000 3.295 742 T HA 0.515 4.865 4.350 -0.000 0.000 0.331 742 T C -0.474 174.300 174.700 0.123 0.000 1.142 742 T CA -0.750 61.418 62.100 0.113 0.000 1.078 742 T CB 1.629 70.510 68.868 0.022 0.000 1.150 742 T HN 0.658 nan 8.240 nan 0.000 0.465 743 S N 1.274 117.080 115.700 0.177 0.000 2.795 743 S HA 0.507 4.977 4.470 -0.000 0.000 0.308 743 S C 0.732 175.381 174.600 0.081 0.000 1.098 743 S CA -0.665 57.592 58.200 0.096 0.000 0.934 743 S CB 1.278 64.516 63.200 0.065 0.000 1.300 743 S HN 0.574 nan 8.310 nan 0.000 0.566 744 E N 0.454 120.674 120.200 0.034 0.000 2.086 744 E HA 0.024 4.374 4.350 -0.000 0.000 0.190 744 E C 1.708 178.289 176.600 -0.031 0.000 0.975 744 E CA 0.895 57.300 56.400 0.009 0.000 0.813 744 E CB -0.136 29.565 29.700 0.001 0.000 0.768 744 E HN 0.621 nan 8.360 nan 0.000 0.457 745 M N 0.976 120.559 119.600 -0.029 0.000 2.509 745 M HA 0.073 4.553 4.480 -0.000 0.000 0.250 745 M C -0.201 176.054 176.300 -0.074 0.000 1.132 745 M CA 0.622 55.892 55.300 -0.049 0.000 1.080 745 M CB -0.322 32.268 32.600 -0.018 0.000 1.408 745 M HN -0.000 nan 8.290 nan 0.000 0.484 746 D N -1.240 119.121 120.400 -0.064 0.000 2.792 746 D HA 0.435 5.075 4.640 -0.000 0.000 0.335 746 D C -1.357 174.999 176.300 0.093 0.000 1.353 746 D CA -0.599 53.362 54.000 -0.065 0.000 0.839 746 D CB 0.810 41.629 40.800 0.033 0.000 1.396 746 D HN -0.189 nan 8.370 nan 0.000 0.479 747 F N 0.134 120.147 119.950 0.104 0.000 2.612 747 F HA 0.472 4.999 4.527 -0.000 0.000 0.332 747 F C -0.304 175.581 175.800 0.142 0.000 1.167 747 F CA -1.699 56.351 58.000 0.084 0.000 0.970 747 F CB 1.403 40.438 39.000 0.058 0.000 1.234 747 F HN 0.549 nan 8.300 nan 0.000 0.453 748 C N 4.567 124.017 119.300 0.250 0.000 2.382 748 C HA 0.750 5.210 4.460 -0.000 0.000 0.363 748 C C -0.023 175.057 174.990 0.150 0.000 1.213 748 C CA -0.409 58.716 59.018 0.178 0.000 2.363 748 C CB 0.774 28.546 27.740 0.053 0.000 2.397 748 C HN 0.529 nan 8.230 nan 0.000 0.573 749 I N 2.619 123.326 120.570 0.228 0.000 2.586 749 I HA 0.362 4.532 4.170 -0.000 0.000 0.288 749 I C -0.554 175.776 176.117 0.355 0.000 1.147 749 I CA -0.122 61.326 61.300 0.248 0.000 1.047 749 I CB 1.484 39.653 38.000 0.281 0.000 1.244 749 I HN 0.695 nan 8.210 nan 0.000 0.429 750 E N 5.239 125.572 120.200 0.223 0.000 2.227 750 E HA 0.733 5.083 4.350 -0.000 0.000 0.268 750 E C -1.636 175.128 176.600 0.273 0.000 0.907 750 E CA -0.756 55.769 56.400 0.208 0.000 0.786 750 E CB 2.869 32.623 29.700 0.090 0.000 1.191 750 E HN 0.488 nan 8.360 nan 0.000 0.411 751 L N 4.388 125.769 121.223 0.263 0.000 2.491 751 L HA 0.445 4.785 4.340 -0.000 0.000 0.260 751 L C -0.128 176.823 176.870 0.135 0.000 1.200 751 L CA 0.792 55.775 54.840 0.238 0.000 0.882 751 L CB 0.786 43.049 42.059 0.339 0.000 1.058 751 L HN 0.781 nan 8.230 nan 0.000 0.487 752 G N 3.138 111.987 108.800 0.081 0.000 2.509 752 G HA2 -0.378 3.582 3.960 -0.000 0.000 0.259 752 G HA3 -0.378 3.582 3.960 -0.000 0.000 0.259 752 G C 0.717 175.615 174.900 -0.003 0.000 1.169 752 G CA 0.345 45.466 45.100 0.035 0.000 0.953 752 G HN 0.977 nan 8.290 nan 0.000 0.563 753 N N 1.285 119.970 118.700 -0.026 0.000 2.520 753 N HA -0.039 4.701 4.740 -0.000 0.000 0.185 753 N C 0.592 176.042 175.510 -0.099 0.000 1.068 753 N CA 1.492 54.507 53.050 -0.058 0.000 0.911 753 N CB -0.074 38.383 38.487 -0.051 0.000 0.961 753 N HN 0.796 nan 8.380 nan 0.000 0.446 754 K N 0.623 120.943 120.400 -0.134 0.000 2.123 754 K HA 0.496 4.816 4.320 -0.000 0.000 0.259 754 K C -0.152 176.218 176.600 -0.383 0.000 0.960 754 K CA -0.627 55.464 56.287 -0.326 0.000 0.872 754 K CB 1.625 33.851 32.500 -0.457 0.000 1.079 754 K HN 0.112 nan 8.250 nan 0.000 0.440 755 R N 1.348 121.542 120.500 -0.510 0.000 2.739 755 R HA 0.461 4.801 4.340 -0.000 0.000 0.271 755 R C -1.282 174.841 176.300 -0.294 0.000 1.010 755 R CA -1.077 54.883 56.100 -0.233 0.000 0.897 755 R CB 1.658 31.912 30.300 -0.076 0.000 1.236 755 R HN 0.528 nan 8.270 nan 0.000 0.466 756 W N 1.924 123.311 121.300 0.145 0.000 2.715 756 W HA 0.297 4.957 4.660 -0.000 0.000 0.331 756 W C -0.595 175.991 176.519 0.110 0.000 1.031 756 W CA -0.493 56.901 57.345 0.081 0.000 1.237 756 W CB 2.307 31.820 29.460 0.088 0.000 1.378 756 W HN 0.545 nan 8.180 nan 0.000 0.454 757 Q N 2.481 122.385 119.800 0.174 0.000 2.274 757 Q HA 0.534 4.874 4.340 -0.000 0.000 0.260 757 Q C -1.814 174.055 176.000 -0.218 0.000 0.974 757 Q CA -0.393 55.487 55.803 0.129 0.000 0.876 757 Q CB 1.484 30.351 28.738 0.216 0.000 1.297 757 Q HN 0.368 nan 8.270 nan 0.000 0.446 758 F N 3.117 123.103 119.950 0.061 0.000 2.500 758 F HA 0.246 4.773 4.527 -0.000 0.000 0.349 758 F C 0.268 175.983 175.800 -0.142 0.000 1.127 758 F CA -0.942 57.031 58.000 -0.045 0.000 0.998 758 F CB 1.286 40.250 39.000 -0.060 0.000 1.237 758 F HN 0.549 nan 8.300 nan 0.000 0.439 759 N N 3.750 122.438 118.700 -0.020 0.000 2.434 759 N HA -0.008 4.732 4.740 -0.000 0.000 0.268 759 N C 1.075 176.476 175.510 -0.181 0.000 1.256 759 N CA 0.310 53.313 53.050 -0.079 0.000 0.914 759 N CB 0.693 39.156 38.487 -0.040 0.000 1.088 759 N HN 0.679 nan 8.380 nan 0.000 0.478 760 R N 2.823 123.161 120.500 -0.270 0.000 2.235 760 R HA -0.103 4.237 4.340 -0.000 0.000 0.213 760 R C 1.320 177.471 176.300 -0.248 0.000 1.059 760 R CA 0.953 56.836 56.100 -0.363 0.000 0.997 760 R CB 0.219 30.246 30.300 -0.455 0.000 0.884 760 R HN 0.664 nan 8.270 nan 0.000 0.462 761 Q N 0.097 119.788 119.800 -0.182 0.000 2.013 761 Q HA -0.078 4.262 4.340 -0.000 0.000 0.195 761 Q C 2.371 178.254 176.000 -0.196 0.000 0.974 761 Q CA 1.850 57.562 55.803 -0.152 0.000 0.826 761 Q CB 0.044 28.726 28.738 -0.093 0.000 0.895 761 Q HN 0.281 nan 8.270 nan 0.000 0.448 762 S N -0.901 114.695 115.700 -0.175 0.000 2.355 762 S HA -0.022 4.448 4.470 -0.000 0.000 0.222 762 S C 1.619 175.885 174.600 -0.558 0.000 1.031 762 S CA 1.140 59.209 58.200 -0.219 0.000 0.993 762 S CB -0.342 62.853 63.200 -0.007 0.000 0.859 762 S HN 0.609 nan 8.310 nan 0.000 0.453 763 G N -0.037 108.488 108.800 -0.459 0.000 2.144 763 G HA2 -0.128 3.832 3.960 -0.000 0.000 0.218 763 G HA3 -0.128 3.832 3.960 -0.000 0.000 0.218 763 G C -0.188 174.470 174.900 -0.404 0.000 0.988 763 G CA 0.107 44.915 45.100 -0.487 0.000 0.659 763 G HN 0.516 nan 8.290 nan 0.000 0.522 764 F N -0.761 119.293 119.950 0.173 0.000 2.577 764 F HA 0.693 5.220 4.527 -0.000 0.000 0.318 764 F C 0.330 176.057 175.800 -0.123 0.000 1.065 764 F CA -1.830 56.246 58.000 0.127 0.000 0.929 764 F CB 1.336 40.406 39.000 0.116 0.000 1.237 764 F HN 0.035 nan 8.300 nan 0.000 0.468 765 L N 1.821 122.963 121.223 -0.135 0.000 2.745 765 L HA 0.110 4.450 4.340 -0.000 0.000 0.273 765 L C 0.643 177.351 176.870 -0.270 0.000 1.156 765 L CA 0.961 55.366 54.840 -0.725 0.000 0.982 765 L CB -0.091 41.567 42.059 -0.668 0.000 1.295 765 L HN 0.662 nan 8.230 nan 0.000 0.483 766 S N 3.196 118.742 115.700 -0.256 0.000 2.535 766 S HA 0.263 4.733 4.470 -0.000 0.000 0.214 766 S C 0.378 174.860 174.600 -0.196 0.000 0.980 766 S CA -0.040 58.082 58.200 -0.130 0.000 0.907 766 S CB 0.020 63.186 63.200 -0.058 0.000 0.790 766 S HN 0.757 nan 8.310 nan 0.000 0.510 767 Q N -0.220 119.412 119.800 -0.279 0.000 2.829 767 Q HA 0.484 4.824 4.340 -0.000 0.000 0.296 767 Q C -1.811 173.906 176.000 -0.472 0.000 0.893 767 Q CA -0.439 55.094 55.803 -0.450 0.000 0.772 767 Q CB 2.095 30.420 28.738 -0.688 0.000 1.489 767 Q HN 0.373 nan 8.270 nan 0.000 0.420 768 M N -0.451 118.728 119.600 -0.702 0.000 2.333 768 M HA 0.599 5.079 4.480 -0.000 0.000 0.286 768 M C -2.180 173.769 176.300 -0.585 0.000 1.113 768 M CA -0.397 54.585 55.300 -0.529 0.000 0.959 768 M CB 1.756 34.045 32.600 -0.519 0.000 1.776 768 M HN 0.447 nan 8.290 nan 0.000 0.492 769 W N 4.261 125.321 121.300 -0.401 0.000 2.639 769 W HA 0.702 5.362 4.660 -0.000 0.000 0.347 769 W C -1.062 175.247 176.519 -0.350 0.000 1.067 769 W CA -0.947 56.214 57.345 -0.307 0.000 1.218 769 W CB 1.920 31.236 29.460 -0.241 0.000 1.393 769 W HN 0.581 nan 8.180 nan 0.000 0.557 770 I N 2.895 123.458 120.570 -0.011 0.000 2.466 770 I HA 0.321 4.491 4.170 -0.000 0.000 0.279 770 I C 0.762 176.867 176.117 -0.021 0.000 1.033 770 I CA 0.049 61.300 61.300 -0.082 0.000 1.123 770 I CB 0.989 38.912 38.000 -0.128 0.000 1.237 770 I HN 0.726 nan 8.210 nan 0.000 0.460 771 G N 6.187 114.969 108.800 -0.030 0.000 2.550 771 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.277 771 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.277 771 G C 0.474 175.387 174.900 0.021 0.000 1.190 771 G CA 0.487 45.572 45.100 -0.024 0.000 0.971 771 G HN 0.738 nan 8.290 nan 0.000 0.559 772 D N 1.073 121.491 120.400 0.029 0.000 2.339 772 D HA 0.073 4.713 4.640 -0.000 0.000 0.217 772 D C 0.649 177.059 176.300 0.183 0.000 1.050 772 D CA 0.502 54.543 54.000 0.069 0.000 0.856 772 D CB 0.011 40.818 40.800 0.012 0.000 0.922 772 D HN 0.606 nan 8.370 nan 0.000 0.518 773 K N 1.851 122.330 120.400 0.131 0.000 2.276 773 K HA 0.194 4.514 4.320 -0.000 0.000 0.285 773 K C 0.489 177.050 176.600 -0.065 0.000 1.062 773 K CA -0.431 55.880 56.287 0.039 0.000 0.918 773 K CB 1.578 34.055 32.500 -0.038 0.000 1.055 773 K HN -0.020 nan 8.250 nan 0.000 0.477 774 K N 2.237 122.498 120.400 -0.232 0.000 2.219 774 K HA 0.017 4.337 4.320 -0.000 0.000 0.258 774 K C 0.815 177.192 176.600 -0.372 0.000 1.008 774 K CA -0.167 55.762 56.287 -0.598 0.000 0.928 774 K CB 0.720 32.899 32.500 -0.535 0.000 0.983 774 K HN 0.525 nan 8.250 nan 0.000 0.484 775 Q N 0.598 120.160 119.800 -0.397 0.000 2.280 775 Q HA 0.224 4.564 4.340 -0.000 0.000 0.228 775 Q C 0.180 176.112 176.000 -0.113 0.000 0.857 775 Q CA 0.259 55.957 55.803 -0.175 0.000 0.939 775 Q CB 0.658 29.368 28.738 -0.047 0.000 1.114 775 Q HN 0.475 nan 8.270 nan 0.000 0.514 776 L N 0.088 121.187 121.223 -0.207 0.000 2.371 776 L HA 0.422 4.762 4.340 -0.000 0.000 0.262 776 L C 0.285 177.031 176.870 -0.207 0.000 1.006 776 L CA -0.580 54.156 54.840 -0.173 0.000 0.818 776 L CB 1.519 43.486 42.059 -0.153 0.000 1.354 776 L HN -0.125 nan 8.230 nan 0.000 0.415 777 L N -0.246 120.846 121.223 -0.218 0.000 2.731 777 L HA 0.315 4.654 4.340 -0.000 0.000 0.240 777 L C 0.075 176.837 176.870 -0.181 0.000 1.120 777 L CA 0.456 55.178 54.840 -0.196 0.000 0.913 777 L CB 0.558 42.501 42.059 -0.194 0.000 1.213 777 L HN 0.643 nan 8.230 nan 0.000 0.515 778 T N -1.312 113.118 114.554 -0.206 0.000 2.894 778 T HA 0.489 4.839 4.350 -0.000 0.000 0.309 778 T C -2.832 171.803 174.700 -0.109 0.000 1.208 778 T CA -1.305 60.706 62.100 -0.148 0.000 1.016 778 T CB 2.400 71.155 68.868 -0.189 0.000 1.192 778 T HN -0.362 nan 8.240 nan 0.000 0.491 779 P HA 0.345 nan 4.420 nan 0.000 0.274 779 P C -0.796 176.471 177.300 -0.056 0.000 1.237 779 P CA -0.780 62.302 63.100 -0.030 0.000 0.793 779 P CB 0.446 32.176 31.700 0.050 0.000 0.977 780 L N 3.571 124.785 121.223 -0.015 0.000 2.325 780 L HA 0.267 4.607 4.340 -0.000 0.000 0.284 780 L C 0.362 177.109 176.870 -0.205 0.000 1.089 780 L CA 0.439 55.282 54.840 0.005 0.000 0.836 780 L CB -0.782 41.394 42.059 0.195 0.000 1.184 780 L HN 0.399 nan 8.230 nan 0.000 0.444 781 R N 2.626 122.945 120.500 -0.300 0.000 2.774 781 R HA 0.546 4.886 4.340 -0.000 0.000 0.272 781 R C -1.249 174.859 176.300 -0.319 0.000 1.000 781 R CA -1.023 54.729 56.100 -0.580 0.000 0.906 781 R CB 0.989 30.764 30.300 -0.876 0.000 1.227 781 R HN 0.373 nan 8.270 nan 0.000 0.468 782 D N 1.649 121.886 120.400 -0.272 0.000 2.414 782 D HA 0.004 4.644 4.640 -0.000 0.000 0.242 782 D C -0.592 175.282 176.300 -0.711 0.000 1.129 782 D CA 0.514 54.257 54.000 -0.428 0.000 0.885 782 D CB 1.230 41.831 40.800 -0.332 0.000 1.198 782 D HN 0.301 nan 8.370 nan 0.000 0.437 783 Q N 1.056 120.300 119.800 -0.927 0.000 2.353 783 Q HA 0.309 4.649 4.340 -0.000 0.000 0.268 783 Q C -0.575 174.668 176.000 -1.261 0.000 1.045 783 Q CA -0.629 54.656 55.803 -0.863 0.000 0.811 783 Q CB 1.198 29.641 28.738 -0.492 0.000 1.305 783 Q HN 0.346 nan 8.270 nan 0.000 0.447 784 F N -0.807 118.788 119.950 -0.591 0.000 2.819 784 F HA 0.097 4.624 4.527 -0.000 0.000 0.325 784 F C 1.120 176.531 175.800 -0.648 0.000 1.041 784 F CA 0.003 57.543 58.000 -0.766 0.000 1.184 784 F CB 0.661 38.892 39.000 -1.281 0.000 1.019 784 F HN 0.478 nan 8.300 nan 0.000 0.590 785 T N 0.090 114.371 114.554 -0.456 0.000 2.893 785 T HA 0.731 5.081 4.350 -0.000 0.000 0.279 785 T C -0.245 174.233 174.700 -0.370 0.000 0.991 785 T CA -0.670 61.084 62.100 -0.577 0.000 0.950 785 T CB 2.306 70.687 68.868 -0.811 0.000 1.223 785 T HN 0.292 nan 8.240 nan 0.000 0.585 786 R N -0.747 119.587 120.500 -0.276 0.000 2.680 786 R HA 0.661 5.001 4.340 -0.000 0.000 0.269 786 R C -1.309 175.072 176.300 0.135 0.000 1.026 786 R CA -1.029 55.040 56.100 -0.053 0.000 0.889 786 R CB 1.203 31.526 30.300 0.039 0.000 1.241 786 R HN 0.821 nan 8.270 nan 0.000 0.463 787 A N 3.819 126.698 122.820 0.099 0.000 2.545 787 A HA 0.305 4.625 4.320 -0.000 0.000 0.297 787 A C -1.960 175.719 177.584 0.158 0.000 1.340 787 A CA -1.421 50.681 52.037 0.110 0.000 1.016 787 A CB -0.618 18.390 19.000 0.014 0.000 1.122 787 A HN 0.563 nan 8.150 nan 0.000 0.537 788 P HA -0.074 nan 4.420 nan 0.000 0.263 788 P C -0.350 177.070 177.300 0.200 0.000 1.145 788 P CA 0.858 64.134 63.100 0.293 0.000 0.755 788 P CB 0.169 32.035 31.700 0.276 0.000 0.746 789 L N 2.546 123.854 121.223 0.141 0.000 2.448 789 L HA 0.291 4.631 4.340 -0.000 0.000 0.258 789 L C 1.956 178.809 176.870 -0.029 0.000 1.104 789 L CA -0.474 54.382 54.840 0.027 0.000 0.800 789 L CB 0.049 42.058 42.059 -0.083 0.000 1.241 789 L HN 0.267 nan 8.230 nan 0.000 0.472 790 D N 0.289 120.589 120.400 -0.166 0.000 2.123 790 D HA -0.154 4.486 4.640 -0.000 0.000 0.196 790 D C 1.480 177.671 176.300 -0.181 0.000 0.992 790 D CA 1.439 55.272 54.000 -0.278 0.000 0.833 790 D CB 0.025 40.528 40.800 -0.495 0.000 0.954 790 D HN 0.556 nan 8.370 nan 0.000 0.455 791 N N 1.455 120.055 118.700 -0.167 0.000 2.289 791 N HA -0.128 4.612 4.740 -0.000 0.000 0.184 791 N C 1.182 176.678 175.510 -0.023 0.000 1.016 791 N CA 0.748 53.736 53.050 -0.103 0.000 0.872 791 N CB -0.245 38.165 38.487 -0.129 0.000 0.973 791 N HN 0.372 nan 8.380 nan 0.000 0.433 792 D N 1.681 122.077 120.400 -0.007 0.000 2.097 792 D HA -0.048 4.592 4.640 -0.000 0.000 0.197 792 D C 2.176 178.486 176.300 0.017 0.000 0.984 792 D CA 0.819 54.840 54.000 0.035 0.000 0.826 792 D CB -0.017 40.866 40.800 0.139 0.000 0.973 792 D HN 0.367 nan 8.370 nan 0.000 0.460 793 I N 0.607 121.188 120.570 0.018 0.000 2.315 793 I HA -0.028 4.142 4.170 -0.000 0.000 0.248 793 I C 2.097 178.221 176.117 0.011 0.000 1.117 793 I CA 0.812 62.117 61.300 0.008 0.000 1.404 793 I CB -0.827 37.173 38.000 0.000 0.000 1.071 793 I HN 0.065 nan 8.210 nan 0.000 0.419 794 G N 1.883 110.697 108.800 0.023 0.000 2.620 794 G HA2 -0.371 3.589 3.960 -0.000 0.000 0.315 794 G HA3 -0.371 3.589 3.960 -0.000 0.000 0.315 794 G C 0.749 175.801 174.900 0.253 0.000 1.179 794 G CA 1.467 46.639 45.100 0.120 0.000 0.971 794 G HN 0.724 nan 8.290 nan 0.000 0.544 795 V N -2.323 117.710 119.914 0.198 0.000 3.319 795 V HA 0.694 4.814 4.120 -0.000 0.000 0.317 795 V C 1.070 177.227 176.094 0.105 0.000 1.411 795 V CA 1.040 63.459 62.300 0.199 0.000 1.112 795 V CB 0.325 32.206 31.823 0.097 0.000 1.031 795 V HN 1.020 nan 8.190 nan 0.000 0.448 796 S N 1.463 117.204 115.700 0.070 0.000 2.558 796 S HA 0.295 4.765 4.470 -0.000 0.000 0.288 796 S C -0.035 174.594 174.600 0.047 0.000 1.318 796 S CA 0.451 58.675 58.200 0.039 0.000 1.056 796 S CB 0.254 63.463 63.200 0.016 0.000 0.853 796 S HN 0.822 nan 8.310 nan 0.000 0.505 797 E N 0.588 120.811 120.200 0.038 0.000 2.356 797 E HA 0.480 4.830 4.350 -0.000 0.000 0.275 797 E C 0.515 177.138 176.600 0.039 0.000 0.904 797 E CA -0.480 55.948 56.400 0.045 0.000 0.757 797 E CB 1.475 31.203 29.700 0.047 0.000 1.232 797 E HN 0.576 nan 8.360 nan 0.000 0.442 798 A N 1.508 124.357 122.820 0.048 0.000 1.903 798 A HA -0.242 4.078 4.320 -0.000 0.000 0.219 798 A C 1.891 179.496 177.584 0.036 0.000 1.191 798 A CA 2.698 54.761 52.037 0.044 0.000 0.638 798 A CB -0.794 18.237 19.000 0.052 0.000 0.823 798 A HN 0.656 nan 8.150 nan 0.000 0.451 799 T N -1.195 113.380 114.554 0.035 0.000 2.701 799 T HA 0.000 4.350 4.350 -0.000 0.000 0.263 799 T C 1.184 175.896 174.700 0.019 0.000 1.040 799 T CA 1.195 63.312 62.100 0.028 0.000 1.147 799 T CB -0.053 68.832 68.868 0.028 0.000 0.865 799 T HN 0.401 nan 8.240 nan 0.000 0.426 800 R N 0.985 121.495 120.500 0.018 0.000 2.265 800 R HA 0.448 4.788 4.340 -0.000 0.000 0.328 800 R C -1.022 175.284 176.300 0.010 0.000 0.969 800 R CA -0.313 55.792 56.100 0.008 0.000 0.832 800 R CB 0.669 30.969 30.300 -0.001 0.000 1.139 800 R HN 0.243 nan 8.270 nan 0.000 0.457 801 I N 2.574 123.147 120.570 0.004 0.000 2.359 801 I HA 0.112 4.282 4.170 -0.000 0.000 0.294 801 I C -0.320 175.790 176.117 -0.011 0.000 0.987 801 I CA -0.595 60.705 61.300 0.001 0.000 1.225 801 I CB 1.780 39.783 38.000 0.004 0.000 1.366 801 I HN 0.528 nan 8.210 nan 0.000 0.466 802 D N 9.356 129.746 120.400 -0.016 0.000 2.456 802 D HA 0.253 4.893 4.640 -0.000 0.000 0.219 802 D C -1.906 174.361 176.300 -0.056 0.000 1.126 802 D CA -2.198 51.783 54.000 -0.032 0.000 0.890 802 D CB 1.296 42.081 40.800 -0.024 0.000 1.025 802 D HN 0.147 nan 8.370 nan 0.000 0.511 803 P HA 0.045 nan 4.420 nan 0.000 0.274 803 P C -0.034 177.188 177.300 -0.130 0.000 1.370 803 P CA 0.440 63.494 63.100 -0.077 0.000 0.760 803 P CB 0.098 31.763 31.700 -0.059 0.000 1.308 804 N N -1.431 117.178 118.700 -0.152 0.000 2.145 804 N HA 0.105 4.845 4.740 -0.000 0.000 0.219 804 N C 0.595 175.919 175.510 -0.310 0.000 1.266 804 N CA -0.121 52.787 53.050 -0.236 0.000 0.902 804 N CB 0.629 38.999 38.487 -0.196 0.000 1.078 804 N HN 0.051 nan 8.380 nan 0.000 0.513 805 A N 0.294 122.986 122.820 -0.213 0.000 2.466 805 A HA 0.081 4.401 4.320 -0.000 0.000 0.238 805 A C 0.797 178.172 177.584 -0.349 0.000 1.074 805 A CA -0.147 51.763 52.037 -0.212 0.000 0.774 805 A CB 0.149 19.090 19.000 -0.098 0.000 1.015 805 A HN 0.323 nan 8.150 nan 0.000 0.498 806 W N 1.187 122.207 121.300 -0.467 0.000 2.338 806 W HA -0.134 4.526 4.660 -0.000 0.000 0.304 806 W C 2.197 178.102 176.519 -1.023 0.000 1.212 806 W CA 1.550 58.332 57.345 -0.938 0.000 1.264 806 W CB -0.307 28.386 29.460 -1.279 0.000 1.142 806 W HN 0.503 nan 8.180 nan 0.000 0.512 807 V N 0.632 120.375 119.914 -0.285 0.000 2.469 807 V HA -0.268 3.852 4.120 -0.000 0.000 0.251 807 V C 2.130 178.288 176.094 0.107 0.000 1.064 807 V CA 1.928 64.294 62.300 0.111 0.000 1.066 807 V CB -0.348 31.557 31.823 0.136 0.000 0.667 807 V HN 0.078 nan 8.190 nan 0.000 0.461 808 E N -0.590 119.594 120.200 -0.026 0.000 2.158 808 E HA -0.058 4.292 4.350 -0.000 0.000 0.191 808 E C 2.386 178.987 176.600 0.002 0.000 0.982 808 E CA 0.463 56.862 56.400 -0.002 0.000 0.823 808 E CB -0.249 29.425 29.700 -0.042 0.000 0.766 808 E HN 0.505 nan 8.360 nan 0.000 0.468 809 R N -0.151 120.291 120.500 -0.097 0.000 2.073 809 R HA -0.134 4.206 4.340 -0.000 0.000 0.234 809 R C 2.123 178.459 176.300 0.060 0.000 1.134 809 R CA 1.084 57.116 56.100 -0.114 0.000 0.952 809 R CB -0.318 29.784 30.300 -0.330 0.000 0.850 809 R HN 0.283 nan 8.270 nan 0.000 0.433 810 W N 1.392 122.718 121.300 0.044 0.000 2.379 810 W HA -0.036 4.624 4.660 -0.000 0.000 0.307 810 W C 2.148 178.756 176.519 0.149 0.000 1.200 810 W CA 0.471 57.825 57.345 0.015 0.000 1.297 810 W CB -0.800 28.851 29.460 0.319 0.000 1.140 810 W HN 0.108 nan 8.180 nan 0.000 0.507 811 K N 0.142 120.827 120.400 0.475 0.000 2.002 811 K HA -0.114 4.206 4.320 -0.000 0.000 0.209 811 K C 2.189 178.899 176.600 0.183 0.000 1.048 811 K CA 1.835 58.308 56.287 0.310 0.000 0.930 811 K CB -0.693 31.896 32.500 0.147 0.000 0.714 811 K HN -0.022 nan 8.250 nan 0.000 0.438 812 A N 0.938 123.837 122.820 0.131 0.000 2.076 812 A HA -0.138 4.182 4.320 -0.000 0.000 0.220 812 A C 2.079 179.713 177.584 0.082 0.000 1.160 812 A CA 1.947 54.041 52.037 0.094 0.000 0.653 812 A CB -0.466 18.567 19.000 0.054 0.000 0.801 812 A HN 0.386 nan 8.150 nan 0.000 0.455 813 A N -2.867 119.977 122.820 0.040 0.000 2.220 813 A HA 0.460 4.779 4.320 -0.000 0.000 0.211 813 A C 1.765 179.258 177.584 -0.151 0.000 1.176 813 A CA 1.120 53.162 52.037 0.008 0.000 0.834 813 A CB -0.250 18.739 19.000 -0.018 0.000 0.868 813 A HN 1.745 nan 8.150 nan 0.000 0.488 814 G N -1.456 107.147 108.800 -0.327 0.000 2.238 814 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.217 814 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.217 814 G C 0.819 175.690 174.900 -0.049 0.000 0.996 814 G CA 0.507 45.116 45.100 -0.818 0.000 0.632 814 G HN 0.619 nan 8.290 nan 0.000 0.503 815 H N -0.680 118.354 119.070 -0.060 0.000 2.368 815 H HA -0.216 4.340 4.556 -0.000 0.000 0.292 815 H C 2.088 177.377 175.328 -0.064 0.000 1.117 815 H CA 1.887 57.929 56.048 -0.010 0.000 1.231 815 H CB -0.040 29.672 29.762 -0.083 0.000 1.359 815 H HN 0.588 nan 8.280 nan 0.000 0.490 816 Y N 0.476 120.886 120.300 0.184 0.000 2.546 816 Y HA -0.036 4.514 4.550 -0.000 0.000 0.287 816 Y C 0.698 176.681 175.900 0.139 0.000 1.158 816 Y CA 0.383 58.564 58.100 0.136 0.000 1.307 816 Y CB 0.508 39.043 38.460 0.126 0.000 1.036 816 Y HN 0.339 nan 8.280 nan 0.000 0.532 817 Q N -0.866 119.092 119.800 0.264 0.000 3.112 817 Q HA 0.543 4.883 4.340 -0.000 0.000 0.300 817 Q C -0.804 175.388 176.000 0.321 0.000 0.760 817 Q CA -0.279 55.687 55.803 0.271 0.000 0.979 817 Q CB 0.378 29.275 28.738 0.266 0.000 1.512 817 Q HN 0.092 nan 8.270 nan 0.000 0.378 818 A N 1.505 124.519 122.820 0.324 0.000 2.306 818 A HA 0.635 4.955 4.320 -0.000 0.000 0.314 818 A C -0.342 177.518 177.584 0.460 0.000 1.164 818 A CA -0.545 51.733 52.037 0.401 0.000 0.822 818 A CB 0.599 19.839 19.000 0.400 0.000 1.130 818 A HN 0.480 nan 8.150 nan 0.000 0.496 819 E N 1.653 122.084 120.200 0.386 0.000 2.187 819 E HA 0.605 4.955 4.350 -0.000 0.000 0.268 819 E C -0.434 176.266 176.600 0.167 0.000 0.896 819 E CA -0.916 55.663 56.400 0.299 0.000 0.766 819 E CB 1.781 31.599 29.700 0.198 0.000 1.142 819 E HN 0.667 nan 8.360 nan 0.000 0.408 820 A N 2.436 125.239 122.820 -0.028 0.000 2.440 820 A HA 0.499 4.819 4.320 -0.000 0.000 0.251 820 A C -0.111 177.345 177.584 -0.213 0.000 1.089 820 A CA -0.065 51.675 52.037 -0.493 0.000 0.779 820 A CB 0.329 18.933 19.000 -0.660 0.000 1.022 820 A HN 0.699 nan 8.150 nan 0.000 0.492 821 A N 3.219 125.902 122.820 -0.228 0.000 2.311 821 A HA 0.557 4.877 4.320 -0.000 0.000 0.306 821 A C -0.289 177.146 177.584 -0.248 0.000 1.189 821 A CA -0.620 51.319 52.037 -0.163 0.000 0.791 821 A CB 0.415 19.369 19.000 -0.078 0.000 1.172 821 A HN 0.919 nan 8.150 nan 0.000 0.481 822 L N 3.101 124.118 121.223 -0.343 0.000 2.559 822 L HA 0.069 4.409 4.340 -0.000 0.000 0.274 822 L C 0.658 177.374 176.870 -0.256 0.000 1.205 822 L CA 0.358 54.920 54.840 -0.463 0.000 0.907 822 L CB 0.167 41.968 42.059 -0.429 0.000 1.153 822 L HN 0.831 nan 8.230 nan 0.000 0.490 823 L N 3.652 124.747 121.223 -0.214 0.000 2.672 823 L HA 0.233 4.573 4.340 -0.000 0.000 0.236 823 L C 0.294 177.121 176.870 -0.072 0.000 1.092 823 L CA 0.132 54.916 54.840 -0.093 0.000 0.887 823 L CB 0.428 42.475 42.059 -0.021 0.000 1.168 823 L HN 0.781 nan 8.230 nan 0.000 0.502 824 Q N -0.428 119.309 119.800 -0.106 0.000 2.646 824 Q HA 0.195 4.535 4.340 -0.000 0.000 0.260 824 Q C -2.073 173.897 176.000 -0.050 0.000 0.975 824 Q CA -0.584 55.187 55.803 -0.053 0.000 0.936 824 Q CB 2.142 30.881 28.738 0.002 0.000 1.591 824 Q HN 0.008 nan 8.270 nan 0.000 0.412 825 C N 3.141 122.429 119.300 -0.021 0.000 2.727 825 C HA 0.837 5.297 4.460 -0.000 0.000 0.369 825 C C -0.894 174.160 174.990 0.106 0.000 1.067 825 C CA 0.752 59.777 59.018 0.011 0.000 1.273 825 C CB 0.814 28.500 27.740 -0.090 0.000 1.778 825 C HN 0.861 nan 8.230 nan 0.000 0.467 826 T N 2.686 117.319 114.554 0.130 0.000 2.906 826 T HA 0.910 5.260 4.350 -0.000 0.000 0.295 826 T C -0.531 174.211 174.700 0.070 0.000 1.075 826 T CA -0.212 61.970 62.100 0.135 0.000 1.005 826 T CB 1.937 70.828 68.868 0.039 0.000 1.136 826 T HN 1.815 nan 8.240 nan 0.000 0.498 827 A N 1.446 124.169 122.820 -0.160 0.000 2.393 827 A HA 0.786 5.106 4.320 -0.000 0.000 0.306 827 A C -1.176 176.231 177.584 -0.295 0.000 1.050 827 A CA -0.657 51.132 52.037 -0.413 0.000 0.724 827 A CB 1.342 19.703 19.000 -1.065 0.000 1.248 827 A HN 0.909 nan 8.150 nan 0.000 0.424 828 D N 0.574 120.840 120.400 -0.224 0.000 2.837 828 D HA 0.401 5.041 4.640 -0.000 0.000 0.220 828 D C -1.226 174.996 176.300 -0.129 0.000 1.236 828 D CA -0.067 53.841 54.000 -0.154 0.000 0.838 828 D CB 2.542 43.281 40.800 -0.101 0.000 1.647 828 D HN 0.412 nan 8.370 nan 0.000 0.486 829 T N 1.985 116.480 114.554 -0.100 0.000 2.767 829 T HA 0.479 4.829 4.350 -0.000 0.000 0.284 829 T C 0.032 174.698 174.700 -0.056 0.000 0.973 829 T CA -0.372 61.685 62.100 -0.073 0.000 0.996 829 T CB 1.019 69.859 68.868 -0.047 0.000 0.927 829 T HN 0.105 nan 8.240 nan 0.000 0.456 830 L N 1.617 122.810 121.223 -0.051 0.000 2.299 830 L HA 0.693 5.033 4.340 -0.000 0.000 0.268 830 L C 1.585 178.435 176.870 -0.034 0.000 1.012 830 L CA -0.387 54.428 54.840 -0.040 0.000 0.816 830 L CB 0.521 42.555 42.059 -0.041 0.000 1.355 830 L HN 0.689 nan 8.230 nan 0.000 0.457 831 A N -0.629 122.173 122.820 -0.030 0.000 2.066 831 A HA -0.071 4.249 4.320 -0.000 0.000 0.218 831 A C 0.816 178.383 177.584 -0.029 0.000 1.157 831 A CA 1.680 53.700 52.037 -0.027 0.000 0.670 831 A CB -0.614 18.371 19.000 -0.025 0.000 0.804 831 A HN 0.831 nan 8.150 nan 0.000 0.453 832 D N -2.058 118.324 120.400 -0.031 0.000 2.469 832 D HA 0.543 5.183 4.640 -0.000 0.000 0.213 832 D C 0.310 176.589 176.300 -0.036 0.000 1.135 832 D CA 0.765 54.746 54.000 -0.032 0.000 0.834 832 D CB 0.461 41.244 40.800 -0.029 0.000 1.009 832 D HN 0.471 nan 8.370 nan 0.000 0.507 833 A N -0.384 122.410 122.820 -0.043 0.000 2.544 833 A HA 0.540 4.860 4.320 -0.000 0.000 0.291 833 A C -1.633 175.908 177.584 -0.072 0.000 1.055 833 A CA -0.814 51.188 52.037 -0.059 0.000 0.651 833 A CB 0.652 19.613 19.000 -0.064 0.000 1.296 833 A HN -0.051 nan 8.150 nan 0.000 0.431 834 V N 0.785 120.638 119.914 -0.102 0.000 2.465 834 V HA 0.531 4.651 4.120 -0.000 0.000 0.279 834 V C -0.519 175.494 176.094 -0.135 0.000 1.045 834 V CA -0.263 61.963 62.300 -0.123 0.000 0.938 834 V CB 1.069 32.806 31.823 -0.143 0.000 0.986 834 V HN 0.760 nan 8.190 nan 0.000 0.467 835 L N 6.964 128.110 121.223 -0.128 0.000 2.325 835 L HA 0.610 4.950 4.340 -0.000 0.000 0.281 835 L C -0.466 176.324 176.870 -0.133 0.000 1.004 835 L CA 0.061 54.837 54.840 -0.107 0.000 0.823 835 L CB 1.196 43.211 42.059 -0.073 0.000 1.236 835 L HN 0.440 nan 8.230 nan 0.000 0.415 836 I N 3.209 123.701 120.570 -0.130 0.000 2.525 836 I HA 0.488 4.658 4.170 -0.000 0.000 0.301 836 I C -0.103 176.031 176.117 0.029 0.000 0.992 836 I CA -0.454 60.761 61.300 -0.140 0.000 1.162 836 I CB 1.812 39.554 38.000 -0.430 0.000 1.332 836 I HN 0.474 nan 8.210 nan 0.000 0.458 837 T N 3.541 118.125 114.554 0.051 0.000 2.879 837 T HA 0.552 4.902 4.350 -0.000 0.000 0.290 837 T C -0.153 174.629 174.700 0.138 0.000 0.993 837 T CA -0.447 61.714 62.100 0.103 0.000 0.975 837 T CB 1.784 70.687 68.868 0.058 0.000 0.981 837 T HN 0.845 nan 8.240 nan 0.000 0.439 838 T N -0.109 114.572 114.554 0.211 0.000 2.916 838 T HA 0.876 5.226 4.350 -0.000 0.000 0.292 838 T C -0.812 174.031 174.700 0.239 0.000 1.064 838 T CA -1.156 61.089 62.100 0.240 0.000 1.011 838 T CB 2.064 71.179 68.868 0.411 0.000 1.152 838 T HN 0.697 nan 8.240 nan 0.000 0.510 839 A N 1.831 124.807 122.820 0.260 0.000 2.839 839 A HA 0.599 4.919 4.320 -0.000 0.000 0.303 839 A C -0.920 176.851 177.584 0.311 0.000 1.181 839 A CA -0.782 51.415 52.037 0.267 0.000 0.808 839 A CB -0.068 19.017 19.000 0.141 0.000 1.391 839 A HN 0.869 nan 8.150 nan 0.000 0.433 840 H N 0.668 119.763 119.070 0.042 0.000 2.530 840 H HA 0.872 5.428 4.556 -0.000 0.000 0.342 840 H C 0.430 175.728 175.328 -0.049 0.000 1.312 840 H CA -0.578 55.396 56.048 -0.122 0.000 1.376 840 H CB 1.251 30.755 29.762 -0.430 0.000 1.692 840 H HN 0.852 nan 8.280 nan 0.000 0.622 841 A N 0.324 123.138 122.820 -0.010 0.000 2.449 841 A HA 0.491 4.811 4.320 -0.000 0.000 0.302 841 A C -1.456 176.181 177.584 0.089 0.000 1.048 841 A CA -0.784 51.338 52.037 0.141 0.000 0.708 841 A CB 1.287 20.364 19.000 0.128 0.000 1.274 841 A HN 0.561 nan 8.150 nan 0.000 0.410 842 W N 1.467 122.888 121.300 0.201 0.000 2.520 842 W HA 0.531 5.191 4.660 -0.000 0.000 0.323 842 W C -0.323 176.211 176.519 0.025 0.000 1.062 842 W CA -0.379 57.068 57.345 0.170 0.000 1.215 842 W CB 1.783 31.414 29.460 0.285 0.000 1.340 842 W HN 0.787 nan 8.180 nan 0.000 0.516 843 Q N 1.161 121.140 119.800 0.299 0.000 2.544 843 Q HA 0.476 4.816 4.340 -0.000 0.000 0.291 843 Q C -1.225 174.929 176.000 0.257 0.000 1.068 843 Q CA -1.004 54.911 55.803 0.187 0.000 0.785 843 Q CB 3.679 32.491 28.738 0.125 0.000 1.481 843 Q HN 0.449 nan 8.270 nan 0.000 0.430 844 H N 0.991 120.103 119.070 0.070 0.000 2.947 844 H HA 0.078 4.634 4.556 -0.000 0.000 0.354 844 H C -0.769 174.599 175.328 0.066 0.000 1.085 844 H CA -0.310 55.787 56.048 0.082 0.000 1.253 844 H CB 1.402 31.218 29.762 0.089 0.000 1.757 844 H HN 0.751 nan 8.280 nan 0.000 0.523 845 Q N 2.736 122.368 119.800 -0.280 0.000 2.369 845 Q HA -0.234 4.106 4.340 -0.000 0.000 0.365 845 Q C 0.855 176.832 176.000 -0.039 0.000 1.305 845 Q CA 0.997 56.690 55.803 -0.182 0.000 1.129 845 Q CB -1.545 27.044 28.738 -0.249 0.000 1.338 845 Q HN 1.066 nan 8.270 nan 0.000 0.370 846 G N 0.109 108.908 108.800 -0.002 0.000 2.160 846 G HA2 -0.352 3.608 3.960 -0.000 0.000 0.251 846 G HA3 -0.352 3.608 3.960 -0.000 0.000 0.251 846 G C -0.079 174.845 174.900 0.041 0.000 1.008 846 G CA 0.712 45.825 45.100 0.022 0.000 0.724 846 G HN 0.521 nan 8.290 nan 0.000 0.514 847 K N 0.475 120.914 120.400 0.064 0.000 2.397 847 K HA 0.654 4.974 4.320 -0.000 0.000 0.253 847 K C 0.051 176.683 176.600 0.054 0.000 0.932 847 K CA -0.353 55.972 56.287 0.062 0.000 0.795 847 K CB 1.234 33.780 32.500 0.076 0.000 1.159 847 K HN 0.019 nan 8.250 nan 0.000 0.424 848 T N 5.662 120.234 114.554 0.031 0.000 2.723 848 T HA 0.222 4.572 4.350 -0.000 0.000 0.297 848 T C 1.130 175.777 174.700 -0.088 0.000 0.925 848 T CA -0.570 61.537 62.100 0.012 0.000 1.030 848 T CB 0.265 69.162 68.868 0.047 0.000 0.905 848 T HN 0.507 nan 8.240 nan 0.000 0.502 849 L N 1.469 122.518 121.223 -0.290 0.000 2.116 849 L HA 0.330 4.670 4.340 -0.000 0.000 0.200 849 L C 0.164 176.600 176.870 -0.724 0.000 1.084 849 L CA 0.758 55.153 54.840 -0.742 0.000 0.766 849 L CB -0.236 40.849 42.059 -1.624 0.000 0.930 849 L HN 0.444 nan 8.230 nan 0.000 0.453 850 F N -0.630 119.249 119.950 -0.117 0.000 2.594 850 F HA 0.631 5.158 4.527 -0.000 0.000 0.335 850 F C -0.197 175.750 175.800 0.245 0.000 1.058 850 F CA -1.324 56.574 58.000 -0.171 0.000 0.981 850 F CB 1.453 39.918 39.000 -0.891 0.000 1.289 850 F HN -0.231 nan 8.300 nan 0.000 0.490 851 I N 1.242 122.100 120.570 0.480 0.000 2.586 851 I HA 0.124 4.294 4.170 -0.000 0.000 0.281 851 I C -0.971 175.447 176.117 0.502 0.000 1.145 851 I CA -0.192 61.393 61.300 0.475 0.000 1.073 851 I CB 1.773 39.942 38.000 0.282 0.000 1.238 851 I HN 0.562 nan 8.210 nan 0.000 0.461 852 S N 6.989 123.118 115.700 0.715 0.000 2.423 852 S HA 0.497 4.967 4.470 -0.000 0.000 0.317 852 S C -0.291 174.528 174.600 0.365 0.000 1.065 852 S CA -0.545 57.994 58.200 0.565 0.000 1.111 852 S CB 0.242 63.924 63.200 0.803 0.000 0.968 852 S HN 0.494 nan 8.310 nan 0.000 0.474 853 R N 3.835 124.487 120.500 0.253 0.000 2.255 853 R HA 0.470 4.810 4.340 -0.000 0.000 0.326 853 R C -0.344 176.014 176.300 0.097 0.000 0.986 853 R CA -0.533 55.677 56.100 0.185 0.000 0.847 853 R CB 1.290 31.681 30.300 0.152 0.000 1.111 853 R HN 0.603 nan 8.270 nan 0.000 0.452 854 K N 0.433 120.882 120.400 0.082 0.000 2.395 854 K HA 0.527 4.847 4.320 -0.000 0.000 0.245 854 K C -0.766 175.803 176.600 -0.051 0.000 1.017 854 K CA -1.040 55.200 56.287 -0.079 0.000 0.852 854 K CB 2.027 34.359 32.500 -0.279 0.000 1.311 854 K HN 0.493 nan 8.250 nan 0.000 0.452 855 T N -1.141 113.319 114.554 -0.158 0.000 2.881 855 T HA 0.472 4.822 4.350 -0.000 0.000 0.291 855 T C -1.182 173.452 174.700 -0.110 0.000 0.990 855 T CA -0.733 61.339 62.100 -0.047 0.000 0.976 855 T CB 0.152 69.016 68.868 -0.008 0.000 0.970 855 T HN 0.413 nan 8.240 nan 0.000 0.438 856 Y N 1.697 121.976 120.300 -0.034 0.000 2.420 856 Y HA 0.749 5.299 4.550 -0.000 0.000 0.334 856 Y C 0.735 176.575 175.900 -0.101 0.000 1.094 856 Y CA -1.437 56.641 58.100 -0.036 0.000 1.126 856 Y CB 1.626 40.096 38.460 0.016 0.000 1.217 856 Y HN 0.863 nan 8.280 nan 0.000 0.462 857 R N 3.438 123.966 120.500 0.046 0.000 2.631 857 R HA 0.487 4.827 4.340 -0.000 0.000 0.289 857 R C -2.241 173.992 176.300 -0.111 0.000 1.303 857 R CA -0.254 55.819 56.100 -0.046 0.000 0.989 857 R CB 0.352 30.636 30.300 -0.026 0.000 1.208 857 R HN 0.776 nan 8.270 nan 0.000 0.461 858 I N 5.019 125.459 120.570 -0.217 0.000 2.304 858 I HA 0.239 4.409 4.170 -0.000 0.000 0.291 858 I C -0.070 175.915 176.117 -0.221 0.000 1.018 858 I CA -0.635 60.456 61.300 -0.348 0.000 1.260 858 I CB 0.914 38.510 38.000 -0.674 0.000 1.390 858 I HN 0.704 nan 8.210 nan 0.000 0.475 859 D N 4.630 124.941 120.400 -0.149 0.000 2.616 859 D HA 0.275 4.915 4.640 -0.000 0.000 0.260 859 D C 1.243 177.527 176.300 -0.026 0.000 1.158 859 D CA -0.530 53.426 54.000 -0.073 0.000 1.085 859 D CB 0.516 41.291 40.800 -0.042 0.000 1.222 859 D HN 0.455 nan 8.370 nan 0.000 0.626 860 G N -0.325 108.472 108.800 -0.004 0.000 2.529 860 G HA2 -0.342 3.618 3.960 -0.000 0.000 0.219 860 G HA3 -0.342 3.618 3.960 -0.000 0.000 0.219 860 G C 1.459 176.394 174.900 0.059 0.000 1.177 860 G CA 2.443 47.559 45.100 0.027 0.000 0.773 860 G HN 0.640 nan 8.290 nan 0.000 0.573 861 S N -0.203 115.528 115.700 0.051 0.000 2.419 861 S HA 0.214 4.684 4.470 -0.000 0.000 0.235 861 S C 1.969 176.625 174.600 0.094 0.000 1.019 861 S CA 1.388 59.630 58.200 0.070 0.000 0.982 861 S CB -0.446 62.788 63.200 0.056 0.000 0.789 861 S HN 1.838 nan 8.310 nan 0.000 0.490 862 G N 0.353 109.209 108.800 0.093 0.000 2.134 862 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.209 862 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.209 862 G C -0.350 174.642 174.900 0.154 0.000 0.993 862 G CA -0.173 45.038 45.100 0.185 0.000 0.669 862 G HN 0.599 nan 8.290 nan 0.000 0.519 863 Q N -0.329 119.502 119.800 0.052 0.000 2.256 863 Q HA 0.646 4.986 4.340 -0.000 0.000 0.254 863 Q C 0.189 176.172 176.000 -0.028 0.000 0.916 863 Q CA -0.269 55.563 55.803 0.050 0.000 0.932 863 Q CB 1.683 30.455 28.738 0.056 0.000 1.207 863 Q HN 0.402 nan 8.270 nan 0.000 0.426 864 M N 2.324 121.934 119.600 0.017 0.000 2.066 864 M HA 0.461 4.941 4.480 -0.000 0.000 0.340 864 M C -1.228 175.132 176.300 0.100 0.000 1.053 864 M CA -0.478 54.819 55.300 -0.004 0.000 0.983 864 M CB 0.789 33.380 32.600 -0.015 0.000 1.520 864 M HN 0.720 nan 8.290 nan 0.000 0.428 865 A N 7.069 129.924 122.820 0.057 0.000 2.252 865 A HA 0.653 4.973 4.320 -0.000 0.000 0.309 865 A C -0.582 177.020 177.584 0.030 0.000 1.285 865 A CA -0.634 51.440 52.037 0.061 0.000 0.900 865 A CB 0.054 19.077 19.000 0.037 0.000 1.157 865 A HN 0.919 nan 8.150 nan 0.000 0.536 866 I N 1.234 121.809 120.570 0.009 0.000 2.566 866 I HA 0.519 4.689 4.170 -0.000 0.000 0.303 866 I C 0.304 176.290 176.117 -0.218 0.000 0.983 866 I CA -0.314 60.899 61.300 -0.145 0.000 1.235 866 I CB 2.086 39.993 38.000 -0.155 0.000 1.386 866 I HN 0.460 nan 8.210 nan 0.000 0.494 867 T N 3.824 118.179 114.554 -0.332 0.000 3.011 867 T HA 0.516 4.866 4.350 -0.000 0.000 0.303 867 T C -0.791 173.645 174.700 -0.439 0.000 0.997 867 T CA -0.398 61.498 62.100 -0.341 0.000 1.007 867 T CB 1.585 70.349 68.868 -0.173 0.000 1.017 867 T HN 0.267 nan 8.240 nan 0.000 0.443 868 V N 3.423 122.941 119.914 -0.661 0.000 2.604 868 V HA 0.627 4.747 4.120 -0.000 0.000 0.305 868 V C -0.656 175.251 176.094 -0.312 0.000 1.043 868 V CA -0.866 61.089 62.300 -0.576 0.000 0.888 868 V CB 2.183 33.407 31.823 -0.998 0.000 0.995 868 V HN 0.842 nan 8.190 nan 0.000 0.429 869 D N 2.722 123.109 120.400 -0.022 0.000 2.336 869 D HA 0.384 5.024 4.640 -0.000 0.000 0.248 869 D C -0.860 175.576 176.300 0.227 0.000 1.326 869 D CA -0.021 54.076 54.000 0.162 0.000 0.973 869 D CB 2.495 43.406 40.800 0.184 0.000 1.255 869 D HN 0.288 nan 8.370 nan 0.000 0.558 870 V N 1.456 121.557 119.914 0.311 0.000 2.863 870 V HA 0.404 4.524 4.120 -0.000 0.000 0.307 870 V C 0.358 176.606 176.094 0.258 0.000 1.061 870 V CA -0.503 61.978 62.300 0.303 0.000 1.024 870 V CB 2.233 34.242 31.823 0.310 0.000 1.049 870 V HN 0.379 nan 8.190 nan 0.000 0.471 871 E N 1.028 121.358 120.200 0.217 0.000 2.260 871 E HA 0.532 4.882 4.350 -0.000 0.000 0.266 871 E C -1.762 174.937 176.600 0.166 0.000 0.887 871 E CA -0.409 56.096 56.400 0.175 0.000 0.777 871 E CB 2.284 32.079 29.700 0.158 0.000 1.205 871 E HN 0.499 nan 8.360 nan 0.000 0.414 872 V N 2.235 122.245 119.914 0.161 0.000 2.398 872 V HA 0.489 4.609 4.120 -0.000 0.000 0.286 872 V C 0.409 176.581 176.094 0.130 0.000 1.026 872 V CA -1.000 61.401 62.300 0.168 0.000 0.868 872 V CB 1.316 33.256 31.823 0.194 0.000 0.982 872 V HN 0.822 nan 8.190 nan 0.000 0.443 873 A N 3.379 126.254 122.820 0.091 0.000 2.567 873 A HA 0.232 4.552 4.320 -0.000 0.000 0.240 873 A C 1.644 179.301 177.584 0.121 0.000 1.053 873 A CA 0.655 52.739 52.037 0.078 0.000 0.755 873 A CB 0.214 19.234 19.000 0.034 0.000 0.978 873 A HN 1.397 nan 8.150 nan 0.000 0.507 874 S N 1.202 116.965 115.700 0.104 0.000 2.474 874 S HA -0.106 4.364 4.470 -0.000 0.000 0.235 874 S C 0.586 175.267 174.600 0.135 0.000 0.997 874 S CA 1.169 59.442 58.200 0.121 0.000 0.949 874 S CB -0.254 62.999 63.200 0.087 0.000 0.766 874 S HN 0.787 nan 8.310 nan 0.000 0.517 875 D N 1.598 122.066 120.400 0.113 0.000 3.123 875 D HA 0.180 4.820 4.640 -0.000 0.000 0.305 875 D C -0.320 176.052 176.300 0.119 0.000 1.373 875 D CA -0.288 53.774 54.000 0.103 0.000 0.889 875 D CB 0.071 40.913 40.800 0.070 0.000 1.070 875 D HN 0.399 nan 8.370 nan 0.000 0.494 876 T N -3.234 111.428 114.554 0.181 0.000 2.933 876 T HA 0.439 4.789 4.350 -0.000 0.000 0.305 876 T C -3.114 171.767 174.700 0.302 0.000 1.092 876 T CA -1.872 60.367 62.100 0.231 0.000 1.008 876 T CB 1.689 70.753 68.868 0.327 0.000 1.102 876 T HN -0.263 nan 8.240 nan 0.000 0.469 877 P HA -0.008 nan 4.420 nan 0.000 0.261 877 P C 0.162 177.841 177.300 0.632 0.000 1.158 877 P CA 0.349 63.636 63.100 0.312 0.000 0.758 877 P CB 0.085 31.956 31.700 0.284 0.000 0.763 878 H N 3.892 123.340 119.070 0.630 0.000 2.895 878 H HA 0.125 4.681 4.556 -0.000 0.000 0.371 878 H C -1.890 173.755 175.328 0.529 0.000 1.219 878 H CA -1.032 55.306 56.048 0.483 0.000 1.431 878 H CB -0.928 29.047 29.762 0.355 0.000 1.414 878 H HN 0.350 nan 8.280 nan 0.000 0.617 879 P HA 0.263 nan 4.420 nan 0.000 0.292 879 P C -0.051 177.158 177.300 -0.152 0.000 1.308 879 P CA -0.549 62.565 63.100 0.023 0.000 0.933 879 P CB 1.608 33.206 31.700 -0.169 0.000 1.217 880 A N 2.774 125.298 122.820 -0.493 0.000 1.940 880 A HA -0.126 4.194 4.320 -0.000 0.000 0.219 880 A C 1.037 178.588 177.584 -0.055 0.000 1.176 880 A CA 1.627 53.479 52.037 -0.308 0.000 0.631 880 A CB -0.611 18.075 19.000 -0.523 0.000 0.814 880 A HN 0.737 nan 8.150 nan 0.000 0.446 881 R N -3.466 116.938 120.500 -0.161 0.000 2.829 881 R HA 0.785 5.125 4.340 -0.000 0.000 0.267 881 R C -1.587 174.601 176.300 -0.188 0.000 1.051 881 R CA -0.880 55.153 56.100 -0.111 0.000 0.927 881 R CB 0.868 31.063 30.300 -0.174 0.000 1.292 881 R HN 0.038 nan 8.270 nan 0.000 0.445 882 I N 0.563 121.011 120.570 -0.203 0.000 2.602 882 I HA 0.468 4.638 4.170 -0.000 0.000 0.274 882 I C -0.823 175.095 176.117 -0.333 0.000 1.191 882 I CA -0.387 60.814 61.300 -0.164 0.000 1.068 882 I CB 1.726 39.669 38.000 -0.095 0.000 1.274 882 I HN 0.984 nan 8.210 nan 0.000 0.485 883 G N 5.426 113.983 108.800 -0.405 0.000 2.846 883 G HA2 0.858 4.818 3.960 -0.000 0.000 0.299 883 G HA3 0.858 4.818 3.960 -0.000 0.000 0.299 883 G C -1.629 173.096 174.900 -0.291 0.000 1.242 883 G CA -0.544 44.343 45.100 -0.355 0.000 0.800 883 G HN 0.238 nan 8.290 nan 0.000 0.538 884 L N 0.600 121.692 121.223 -0.219 0.000 2.376 884 L HA 0.634 4.974 4.340 -0.000 0.000 0.258 884 L C -0.954 175.803 176.870 -0.189 0.000 1.013 884 L CA -1.155 53.571 54.840 -0.190 0.000 0.822 884 L CB 2.547 44.561 42.059 -0.075 0.000 1.388 884 L HN 0.777 nan 8.230 nan 0.000 0.413 885 N N 0.633 119.249 118.700 -0.141 0.000 2.525 885 N HA 0.766 5.506 4.740 -0.000 0.000 0.270 885 N C -1.275 174.232 175.510 -0.004 0.000 1.321 885 N CA -0.597 52.418 53.050 -0.059 0.000 0.797 885 N CB 2.432 40.919 38.487 0.001 0.000 1.529 885 N HN 0.917 nan 8.380 nan 0.000 0.491 886 C N -1.351 117.954 119.300 0.010 0.000 3.292 886 C HA 0.398 4.858 4.460 -0.000 0.000 0.368 886 C C -0.673 174.071 174.990 -0.410 0.000 1.141 886 C CA -0.860 58.085 59.018 -0.121 0.000 1.194 886 C CB 0.707 28.413 27.740 -0.056 0.000 1.533 886 C HN 0.847 nan 8.230 nan 0.000 0.532 887 Q N 2.467 121.813 119.800 -0.756 0.000 2.513 887 Q HA 0.404 4.744 4.340 -0.000 0.000 0.227 887 Q C -0.111 175.598 176.000 -0.486 0.000 1.257 887 Q CA -0.142 55.033 55.803 -1.046 0.000 0.915 887 Q CB 0.174 28.078 28.738 -1.389 0.000 1.507 887 Q HN 0.764 nan 8.270 nan 0.000 0.543 888 L N 1.788 122.831 121.223 -0.301 0.000 2.514 888 L HA -0.027 4.313 4.340 -0.000 0.000 0.280 888 L C 1.254 178.051 176.870 -0.122 0.000 1.223 888 L CA -0.017 54.766 54.840 -0.094 0.000 0.864 888 L CB 0.383 42.499 42.059 0.096 0.000 1.118 888 L HN 0.652 nan 8.230 nan 0.000 0.494 889 A N 2.357 125.123 122.820 -0.089 0.000 2.123 889 A HA -0.040 4.280 4.320 -0.000 0.000 0.214 889 A C 1.099 178.632 177.584 -0.084 0.000 1.152 889 A CA 0.327 52.300 52.037 -0.108 0.000 0.728 889 A CB -0.116 18.808 19.000 -0.127 0.000 0.814 889 A HN 0.833 nan 8.150 nan 0.000 0.464 890 Q N -0.874 118.885 119.800 -0.068 0.000 2.397 890 Q HA 0.491 4.831 4.340 -0.000 0.000 0.193 890 Q C -1.138 174.826 176.000 -0.060 0.000 1.083 890 Q CA 0.208 55.945 55.803 -0.109 0.000 1.108 890 Q CB 0.754 29.371 28.738 -0.201 0.000 1.172 890 Q HN 0.199 nan 8.270 nan 0.000 0.617 891 V N 0.888 120.756 119.914 -0.078 0.000 2.812 891 V HA 0.551 4.671 4.120 -0.000 0.000 0.280 891 V C -1.225 174.880 176.094 0.019 0.000 1.324 891 V CA -0.033 62.300 62.300 0.055 0.000 0.933 891 V CB 1.094 32.927 31.823 0.017 0.000 1.091 891 V HN 0.890 nan 8.190 nan 0.000 0.455 892 A N 3.497 126.398 122.820 0.134 0.000 2.468 892 A HA 0.984 5.304 4.320 -0.000 0.000 0.277 892 A C 0.602 178.288 177.584 0.170 0.000 1.203 892 A CA -0.189 51.904 52.037 0.093 0.000 0.932 892 A CB 1.137 20.105 19.000 -0.053 0.000 1.438 892 A HN 0.631 nan 8.150 nan 0.000 0.468 893 E N -0.115 120.158 120.200 0.122 0.000 2.099 893 E HA 0.121 4.471 4.350 -0.000 0.000 0.191 893 E C 0.712 177.388 176.600 0.127 0.000 0.962 893 E CA 0.946 57.406 56.400 0.099 0.000 0.826 893 E CB 0.075 29.810 29.700 0.059 0.000 0.788 893 E HN 0.518 nan 8.360 nan 0.000 0.461 894 R N -0.566 120.030 120.500 0.159 0.000 2.944 894 R HA 0.682 5.022 4.340 -0.000 0.000 0.233 894 R C -0.736 175.703 176.300 0.232 0.000 1.346 894 R CA -0.923 55.277 56.100 0.167 0.000 1.082 894 R CB 1.654 32.038 30.300 0.141 0.000 1.434 894 R HN -0.201 nan 8.270 nan 0.000 0.510 895 V N 0.949 120.984 119.914 0.201 0.000 2.777 895 V HA 0.331 4.451 4.120 -0.000 0.000 0.306 895 V C -0.816 175.479 176.094 0.336 0.000 1.112 895 V CA -1.038 61.377 62.300 0.191 0.000 0.917 895 V CB 1.930 33.745 31.823 -0.013 0.000 1.018 895 V HN 0.731 nan 8.190 nan 0.000 0.426 896 N N 3.308 122.215 118.700 0.344 0.000 2.225 896 N HA 0.671 5.411 4.740 -0.000 0.000 0.298 896 N C -1.470 174.346 175.510 0.509 0.000 1.076 896 N CA -0.423 52.870 53.050 0.406 0.000 0.792 896 N CB 3.323 41.938 38.487 0.214 0.000 1.498 896 N HN 0.896 nan 8.380 nan 0.000 0.474 897 W N 2.566 123.891 121.300 0.041 0.000 3.059 897 W HA 0.548 5.208 4.660 -0.000 0.000 0.329 897 W C -2.312 174.156 176.519 -0.084 0.000 1.246 897 W CA -1.037 56.319 57.345 0.020 0.000 1.190 897 W CB 0.712 30.229 29.460 0.094 0.000 1.423 897 W HN 0.299 nan 8.180 nan 0.000 0.571 898 L N 3.861 125.046 121.223 -0.063 0.000 2.353 898 L HA 0.907 5.247 4.340 -0.000 0.000 0.270 898 L C -0.064 176.608 176.870 -0.330 0.000 1.003 898 L CA 0.400 54.989 54.840 -0.418 0.000 0.862 898 L CB 0.911 42.827 42.059 -0.238 0.000 1.221 898 L HN 1.013 nan 8.230 nan 0.000 0.430 899 G N 3.594 112.028 108.800 -0.610 0.000 2.450 899 G HA2 0.235 4.195 3.960 -0.000 0.000 0.273 899 G HA3 0.235 4.195 3.960 -0.000 0.000 0.273 899 G C -1.645 173.198 174.900 -0.095 0.000 1.221 899 G CA -0.957 44.061 45.100 -0.135 0.000 0.900 899 G HN 0.314 nan 8.290 nan 0.000 0.483 900 L N 1.568 122.909 121.223 0.197 0.000 2.278 900 L HA 0.643 4.983 4.340 -0.000 0.000 0.287 900 L C 0.854 177.778 176.870 0.091 0.000 1.072 900 L CA 0.267 55.200 54.840 0.154 0.000 0.819 900 L CB 0.429 42.542 42.059 0.090 0.000 1.176 900 L HN 1.027 nan 8.230 nan 0.000 0.435 901 G N 3.557 112.233 108.800 -0.207 0.000 2.489 901 G HA2 0.359 4.319 3.960 -0.000 0.000 0.305 901 G HA3 0.359 4.319 3.960 -0.000 0.000 0.305 901 G C -2.790 171.060 174.900 -1.751 0.000 1.311 901 G CA -0.316 44.164 45.100 -1.033 0.000 0.813 901 G HN 0.256 nan 8.290 nan 0.000 0.480 902 P HA 0.086 nan 4.420 nan 0.000 0.228 902 P C 0.558 177.606 177.300 -0.421 0.000 1.166 902 P CA 0.529 62.936 63.100 -1.156 0.000 0.812 902 P CB 0.392 31.582 31.700 -0.850 0.000 0.857 903 Q N 0.780 120.345 119.800 -0.391 0.000 2.584 903 Q HA 0.053 4.393 4.340 -0.000 0.000 0.218 903 Q C 0.544 176.435 176.000 -0.182 0.000 1.079 903 Q CA -0.238 55.428 55.803 -0.229 0.000 1.008 903 Q CB 0.395 29.019 28.738 -0.190 0.000 1.267 903 Q HN 0.196 nan 8.270 nan 0.000 0.586 904 E N 1.660 121.772 120.200 -0.146 0.000 2.498 904 E HA -0.078 4.272 4.350 -0.000 0.000 0.252 904 E C -1.043 175.538 176.600 -0.031 0.000 1.025 904 E CA 0.029 56.362 56.400 -0.112 0.000 0.938 904 E CB 0.088 29.764 29.700 -0.041 0.000 0.947 904 E HN 0.520 nan 8.360 nan 0.000 0.478 905 N N 3.123 121.754 118.700 -0.115 0.000 2.402 905 N HA 0.421 5.161 4.740 -0.000 0.000 0.294 905 N C -1.545 173.882 175.510 -0.139 0.000 1.203 905 N CA -0.670 52.360 53.050 -0.033 0.000 0.838 905 N CB 0.898 39.349 38.487 -0.059 0.000 1.306 905 N HN 0.283 nan 8.380 nan 0.000 0.510 906 Y N -1.641 118.623 120.300 -0.061 0.000 2.634 906 Y HA 0.457 5.007 4.550 -0.000 0.000 0.340 906 Y C -1.702 174.173 175.900 -0.042 0.000 1.058 906 Y CA -2.077 55.986 58.100 -0.061 0.000 1.081 906 Y CB 1.576 39.973 38.460 -0.105 0.000 1.295 906 Y HN 0.437 nan 8.280 nan 0.000 0.487 907 P HA -0.148 nan 4.420 nan 0.000 0.214 907 P C 0.287 177.618 177.300 0.051 0.000 1.163 907 P CA 2.043 65.245 63.100 0.169 0.000 0.883 907 P CB 0.141 32.014 31.700 0.289 0.000 0.788 908 D N -0.729 119.380 120.400 -0.485 0.000 2.561 908 D HA 0.034 4.674 4.640 -0.000 0.000 0.232 908 D C 0.294 176.394 176.300 -0.333 0.000 1.198 908 D CA -0.349 53.033 54.000 -1.030 0.000 0.826 908 D CB -0.617 39.142 40.800 -1.734 0.000 0.992 908 D HN 0.283 nan 8.370 nan 0.000 0.490 909 R N 0.205 120.651 120.500 -0.090 0.000 2.880 909 R HA 0.229 4.569 4.340 -0.000 0.000 0.189 909 R C -1.102 175.241 176.300 0.072 0.000 1.460 909 R CA -0.571 55.539 56.100 0.017 0.000 1.164 909 R CB -1.008 29.291 30.300 -0.001 0.000 1.533 909 R HN 0.080 nan 8.270 nan 0.000 0.666 910 L N -1.766 119.510 121.223 0.090 0.000 3.606 910 L HA 0.405 4.745 4.340 -0.000 0.000 0.336 910 L C 1.205 178.132 176.870 0.094 0.000 1.300 910 L CA 0.267 55.154 54.840 0.079 0.000 1.050 910 L CB 0.492 42.593 42.059 0.070 0.000 1.439 910 L HN 0.285 nan 8.230 nan 0.000 0.621 911 T N -2.459 112.179 114.554 0.140 0.000 2.867 911 T HA -0.006 4.344 4.350 -0.000 0.000 0.268 911 T C 1.791 176.530 174.700 0.065 0.000 1.057 911 T CA 1.449 63.649 62.100 0.167 0.000 1.136 911 T CB -0.219 68.809 68.868 0.267 0.000 0.874 911 T HN 0.429 nan 8.240 nan 0.000 0.466 912 A N 1.954 124.835 122.820 0.101 0.000 1.968 912 A HA 0.583 4.903 4.320 -0.000 0.000 0.217 912 A C 1.758 179.369 177.584 0.046 0.000 1.169 912 A CA 0.735 52.820 52.037 0.081 0.000 0.638 912 A CB -1.151 17.995 19.000 0.244 0.000 0.812 912 A HN 0.896 nan 8.150 nan 0.000 0.446 913 A N -0.332 122.474 122.820 -0.023 0.000 2.492 913 A HA 0.393 4.713 4.320 -0.000 0.000 0.254 913 A C 0.324 177.873 177.584 -0.059 0.000 1.091 913 A CA -0.101 51.874 52.037 -0.103 0.000 0.768 913 A CB -0.667 18.290 19.000 -0.073 0.000 1.028 913 A HN 0.573 nan 8.150 nan 0.000 0.498 914 C N 1.773 121.027 119.300 -0.077 0.000 2.370 914 C HA 0.501 4.961 4.460 -0.000 0.000 0.354 914 C C 0.282 175.327 174.990 0.091 0.000 1.218 914 C CA -0.578 58.452 59.018 0.020 0.000 2.154 914 C CB 0.028 27.778 27.740 0.017 0.000 2.391 914 C HN 0.776 nan 8.230 nan 0.000 0.540 915 F N 3.542 123.298 119.950 -0.325 0.000 2.405 915 F HA 0.404 4.931 4.527 -0.000 0.000 0.358 915 F C 0.210 175.615 175.800 -0.657 0.000 1.151 915 F CA 0.646 58.302 58.000 -0.572 0.000 1.161 915 F CB -0.412 37.768 39.000 -1.367 0.000 1.245 915 F HN 0.692 nan 8.300 nan 0.000 0.545 916 D N 3.542 123.158 120.400 -1.306 0.000 3.057 916 D HA 0.239 4.879 4.640 -0.000 0.000 0.328 916 D C -1.271 173.928 176.300 -1.835 0.000 1.317 916 D CA -0.808 52.267 54.000 -1.541 0.000 0.973 916 D CB 1.910 41.783 40.800 -1.544 0.000 1.424 916 D HN 0.419 nan 8.370 nan 0.000 0.569 917 R N 0.833 120.416 120.500 -1.529 0.000 2.230 917 R HA 0.333 4.673 4.340 -0.000 0.000 0.337 917 R C -1.167 174.399 176.300 -1.223 0.000 1.063 917 R CA -0.425 54.986 56.100 -1.149 0.000 0.935 917 R CB 0.118 30.041 30.300 -0.629 0.000 1.121 917 R HN 0.210 nan 8.270 nan 0.000 0.486 918 W N 2.935 123.721 121.300 -0.857 0.000 2.512 918 W HA 0.337 4.997 4.660 -0.000 0.000 0.335 918 W C -0.062 176.228 176.519 -0.382 0.000 1.088 918 W CA -0.698 56.110 57.345 -0.895 0.000 1.236 918 W CB 1.286 29.559 29.460 -1.977 0.000 1.307 918 W HN 0.317 nan 8.180 nan 0.000 0.567 919 D N 3.378 123.857 120.400 0.131 0.000 2.336 919 D HA 0.362 5.002 4.640 -0.000 0.000 0.248 919 D C -1.485 174.967 176.300 0.255 0.000 1.326 919 D CA -0.143 53.997 54.000 0.233 0.000 0.973 919 D CB 0.635 41.498 40.800 0.106 0.000 1.255 919 D HN 0.348 nan 8.370 nan 0.000 0.558 920 L N 2.947 124.381 121.223 0.352 0.000 2.371 920 L HA 0.554 4.894 4.340 -0.000 0.000 0.262 920 L C -2.195 174.768 176.870 0.156 0.000 1.006 920 L CA -2.143 52.831 54.840 0.224 0.000 0.818 920 L CB 2.281 44.483 42.059 0.239 0.000 1.354 920 L HN 0.102 nan 8.230 nan 0.000 0.415 921 P HA -0.078 nan 4.420 nan 0.000 0.272 921 P C 0.428 177.763 177.300 0.058 0.000 1.243 921 P CA -0.308 62.839 63.100 0.079 0.000 0.803 921 P CB 0.657 32.390 31.700 0.056 0.000 0.974 922 L N 1.264 122.512 121.223 0.042 0.000 2.240 922 L HA -0.093 4.247 4.340 -0.000 0.000 0.211 922 L C 2.326 179.199 176.870 0.004 0.000 1.106 922 L CA 2.097 56.935 54.840 -0.003 0.000 0.793 922 L CB -1.662 40.400 42.059 0.005 0.000 0.927 922 L HN 0.439 nan 8.230 nan 0.000 0.446 923 S N -0.688 115.028 115.700 0.028 0.000 2.359 923 S HA -0.214 4.256 4.470 -0.000 0.000 0.224 923 S C 1.434 176.066 174.600 0.054 0.000 1.035 923 S CA 1.530 59.759 58.200 0.048 0.000 1.018 923 S CB -0.752 62.472 63.200 0.039 0.000 0.876 923 S HN 0.516 nan 8.310 nan 0.000 0.448 924 D N 1.015 121.427 120.400 0.020 0.000 2.348 924 D HA 0.126 4.766 4.640 -0.000 0.000 0.248 924 D C 0.785 177.060 176.300 -0.041 0.000 1.142 924 D CA 0.477 54.471 54.000 -0.010 0.000 0.904 924 D CB -0.041 40.761 40.800 0.003 0.000 0.901 924 D HN 0.501 nan 8.370 nan 0.000 0.523 925 M N -0.695 118.888 119.600 -0.028 0.000 2.412 925 M HA 0.114 4.594 4.480 -0.000 0.000 0.315 925 M C -0.386 175.894 176.300 -0.033 0.000 1.092 925 M CA -0.329 54.916 55.300 -0.092 0.000 0.974 925 M CB 0.491 33.004 32.600 -0.146 0.000 1.437 925 M HN -0.076 nan 8.290 nan 0.000 0.524 926 Y N 0.700 120.910 120.300 -0.150 0.000 2.409 926 Y HA 0.529 5.079 4.550 -0.000 0.000 0.343 926 Y C -0.867 174.887 175.900 -0.243 0.000 0.973 926 Y CA -0.743 57.260 58.100 -0.163 0.000 1.064 926 Y CB 1.531 39.935 38.460 -0.094 0.000 1.207 926 Y HN -0.118 nan 8.280 nan 0.000 0.452 927 T N 8.870 122.853 114.554 -0.952 0.000 2.788 927 T HA 0.255 4.605 4.350 -0.000 0.000 0.296 927 T C -2.365 171.400 174.700 -1.558 0.000 1.009 927 T CA -1.462 59.942 62.100 -1.160 0.000 0.949 927 T CB 1.142 69.332 68.868 -1.131 0.000 0.946 927 T HN 0.462 nan 8.240 nan 0.000 0.453 928 P HA -0.019 nan 4.420 nan 0.000 0.274 928 P C -0.195 176.894 177.300 -0.351 0.000 1.370 928 P CA -0.194 62.418 63.100 -0.813 0.000 0.760 928 P CB -0.646 30.736 31.700 -0.529 0.000 1.308 929 Y N -0.256 119.890 120.300 -0.258 0.000 2.954 929 Y HA -0.132 4.418 4.550 -0.000 0.000 0.351 929 Y C 2.262 178.150 175.900 -0.021 0.000 1.282 929 Y CA -0.263 57.797 58.100 -0.068 0.000 1.614 929 Y CB -0.718 37.671 38.460 -0.118 0.000 1.183 929 Y HN -0.175 nan 8.280 nan 0.000 0.566 930 V N 4.601 124.671 119.914 0.261 0.000 2.317 930 V HA -0.296 3.824 4.120 -0.000 0.000 0.251 930 V C 0.669 176.869 176.094 0.177 0.000 1.065 930 V CA 1.821 64.229 62.300 0.179 0.000 1.049 930 V CB -0.521 31.432 31.823 0.215 0.000 0.651 930 V HN 0.578 nan 8.190 nan 0.000 0.450 931 F N 3.449 123.402 119.950 0.005 0.000 2.361 931 F HA 0.594 5.121 4.527 -0.000 0.000 0.364 931 F C -2.501 173.288 175.800 -0.019 0.000 1.117 931 F CA -3.451 54.516 58.000 -0.054 0.000 1.071 931 F CB 1.306 40.187 39.000 -0.199 0.000 1.188 931 F HN -0.039 nan 8.300 nan 0.000 0.464 932 P HA 0.454 nan 4.420 nan 0.000 0.286 932 P C -1.382 175.774 177.300 -0.240 0.000 1.261 932 P CA -0.247 62.744 63.100 -0.182 0.000 0.821 932 P CB 2.031 33.615 31.700 -0.194 0.000 1.013 933 S N -0.097 115.581 115.700 -0.036 0.000 2.800 933 S HA 0.408 4.878 4.470 -0.000 0.000 0.293 933 S C -0.565 174.061 174.600 0.044 0.000 1.209 933 S CA -0.809 57.394 58.200 0.004 0.000 0.884 933 S CB 0.091 63.344 63.200 0.087 0.000 1.244 933 S HN 0.380 nan 8.310 nan 0.000 0.540 934 E N 1.660 121.903 120.200 0.072 0.000 2.558 934 E HA 0.349 4.699 4.350 -0.000 0.000 0.255 934 E C -0.243 176.447 176.600 0.150 0.000 0.968 934 E CA 0.792 57.252 56.400 0.101 0.000 0.939 934 E CB -0.724 29.070 29.700 0.158 0.000 0.921 934 E HN 0.768 nan 8.360 nan 0.000 0.477 935 N N 1.644 120.426 118.700 0.138 0.000 3.227 935 N HA 0.529 5.269 4.740 -0.000 0.000 0.241 935 N C 0.320 175.856 175.510 0.045 0.000 1.480 935 N CA -0.630 52.518 53.050 0.164 0.000 0.886 935 N CB 0.802 39.287 38.487 -0.004 0.000 1.406 935 N HN 0.635 nan 8.380 nan 0.000 0.514 936 G N -0.923 107.877 108.800 -0.000 0.000 2.225 936 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.254 936 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.254 936 G C -0.027 174.676 174.900 -0.328 0.000 0.988 936 G CA 0.164 45.164 45.100 -0.167 0.000 0.625 936 G HN 0.803 nan 8.290 nan 0.000 0.527 937 L N 1.686 122.702 121.223 -0.345 0.000 2.573 937 L HA 0.341 4.681 4.340 -0.000 0.000 0.290 937 L C 0.552 176.996 176.870 -0.711 0.000 1.247 937 L CA 0.282 54.735 54.840 -0.645 0.000 0.876 937 L CB 0.308 41.863 42.059 -0.840 0.000 1.123 937 L HN 0.306 nan 8.230 nan 0.000 0.505 938 R N 4.408 124.397 120.500 -0.852 0.000 2.599 938 R HA 0.462 4.802 4.340 -0.000 0.000 0.295 938 R C -1.005 175.035 176.300 -0.432 0.000 0.963 938 R CA -0.687 55.036 56.100 -0.628 0.000 0.883 938 R CB 1.214 31.098 30.300 -0.694 0.000 1.171 938 R HN 0.608 nan 8.270 nan 0.000 0.450 939 C N -0.148 119.026 119.300 -0.211 0.000 2.345 939 C HA 0.610 5.070 4.460 -0.000 0.000 0.370 939 C C 1.270 176.252 174.990 -0.012 0.000 1.209 939 C CA 0.297 59.243 59.018 -0.120 0.000 2.133 939 C CB 1.191 28.885 27.740 -0.076 0.000 2.293 939 C HN 1.053 nan 8.230 nan 0.000 0.544 940 G N 2.614 111.403 108.800 -0.019 0.000 2.393 940 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.299 940 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.299 940 G C -0.073 174.867 174.900 0.067 0.000 0.990 940 G CA 0.580 45.700 45.100 0.032 0.000 1.118 940 G HN 0.849 nan 8.290 nan 0.000 0.513 941 T N -0.686 113.797 114.554 -0.119 0.000 2.882 941 T HA 0.585 4.935 4.350 -0.000 0.000 0.287 941 T C 1.387 175.847 174.700 -0.401 0.000 0.992 941 T CA -0.501 61.503 62.100 -0.159 0.000 1.076 941 T CB 2.156 70.931 68.868 -0.155 0.000 0.961 941 T HN 0.355 nan 8.240 nan 0.000 0.490 942 R N 0.432 120.884 120.500 -0.080 0.000 2.287 942 R HA 0.232 4.572 4.340 -0.000 0.000 0.197 942 R C 0.466 176.867 176.300 0.169 0.000 0.900 942 R CA 0.140 56.266 56.100 0.042 0.000 1.052 942 R CB 0.794 31.209 30.300 0.191 0.000 1.117 942 R HN 0.741 nan 8.270 nan 0.000 0.568 943 E N 1.116 121.424 120.200 0.180 0.000 2.321 943 E HA 0.234 4.584 4.350 -0.000 0.000 0.281 943 E C -1.952 174.809 176.600 0.269 0.000 0.910 943 E CA -0.618 55.942 56.400 0.267 0.000 0.770 943 E CB 1.939 31.755 29.700 0.193 0.000 1.225 943 E HN -0.075 nan 8.360 nan 0.000 0.417 944 L N 4.295 125.718 121.223 0.333 0.000 2.376 944 L HA 0.557 4.897 4.340 -0.000 0.000 0.275 944 L C -1.843 175.242 176.870 0.357 0.000 0.987 944 L CA -0.417 54.548 54.840 0.209 0.000 0.828 944 L CB 1.615 43.603 42.059 -0.119 0.000 1.249 944 L HN 0.448 nan 8.230 nan 0.000 0.409 945 N N 4.861 123.723 118.700 0.270 0.000 2.518 945 N HA 0.241 4.981 4.740 -0.000 0.000 0.254 945 N C -1.796 173.925 175.510 0.351 0.000 0.979 945 N CA -0.168 53.056 53.050 0.291 0.000 0.930 945 N CB 1.334 39.937 38.487 0.192 0.000 1.152 945 N HN 0.549 nan 8.380 nan 0.000 0.505 946 Y N 2.210 122.686 120.300 0.293 0.000 2.749 946 Y HA 0.489 5.039 4.550 -0.000 0.000 0.343 946 Y C 0.673 176.684 175.900 0.185 0.000 1.015 946 Y CA -0.231 58.001 58.100 0.220 0.000 1.270 946 Y CB -0.026 38.565 38.460 0.218 0.000 1.097 946 Y HN 0.804 nan 8.280 nan 0.000 0.571 947 G N 5.228 113.955 108.800 -0.122 0.000 2.601 947 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.224 947 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.224 947 G C -1.876 172.913 174.900 -0.186 0.000 1.171 947 G CA -0.166 44.777 45.100 -0.262 0.000 1.009 947 G HN 0.335 nan 8.290 nan 0.000 0.589 948 P HA 0.054 nan 4.420 nan 0.000 0.219 948 P C 0.785 177.964 177.300 -0.202 0.000 1.150 948 P CA 1.316 64.244 63.100 -0.287 0.000 0.814 948 P CB -0.277 31.145 31.700 -0.462 0.000 0.787 949 H N -0.389 118.588 119.070 -0.155 0.000 2.895 949 H HA 0.278 4.834 4.556 -0.000 0.000 0.371 949 H C 0.720 175.855 175.328 -0.322 0.000 1.219 949 H CA 0.156 56.007 56.048 -0.329 0.000 1.431 949 H CB 0.234 29.655 29.762 -0.567 0.000 1.414 949 H HN 0.075 nan 8.280 nan 0.000 0.617 950 Q N 1.702 121.232 119.800 -0.449 0.000 2.541 950 Q HA 0.130 4.470 4.340 -0.000 0.000 0.259 950 Q C -2.017 173.792 176.000 -0.318 0.000 0.974 950 Q CA -0.610 55.090 55.803 -0.172 0.000 0.955 950 Q CB 1.440 30.189 28.738 0.018 0.000 1.517 950 Q HN 0.647 nan 8.270 nan 0.000 0.412 951 W N 2.838 124.117 121.300 -0.035 0.000 2.902 951 W HA 0.695 5.355 4.660 -0.000 0.000 0.346 951 W C -0.243 176.340 176.519 0.106 0.000 1.139 951 W CA -0.912 56.388 57.345 -0.076 0.000 1.139 951 W CB 2.289 31.539 29.460 -0.350 0.000 1.439 951 W HN 0.568 nan 8.180 nan 0.000 0.558 952 R N 0.113 120.839 120.500 0.377 0.000 2.707 952 R HA 0.736 5.076 4.340 -0.000 0.000 0.272 952 R C -0.128 176.441 176.300 0.448 0.000 1.011 952 R CA -0.646 55.697 56.100 0.405 0.000 0.893 952 R CB 2.269 32.732 30.300 0.272 0.000 1.233 952 R HN 0.770 nan 8.270 nan 0.000 0.464 953 G N 0.662 109.783 108.800 0.535 0.000 2.403 953 G HA2 0.013 3.973 3.960 -0.000 0.000 0.223 953 G HA3 0.013 3.973 3.960 -0.000 0.000 0.223 953 G C -1.798 173.346 174.900 0.407 0.000 1.287 953 G CA -0.515 44.882 45.100 0.494 0.000 0.982 953 G HN 0.476 nan 8.290 nan 0.000 0.471 954 D N 0.451 121.110 120.400 0.431 0.000 2.364 954 D HA 0.583 5.223 4.640 -0.000 0.000 0.251 954 D C -0.908 175.461 176.300 0.114 0.000 1.282 954 D CA -0.158 53.916 54.000 0.123 0.000 0.927 954 D CB 0.563 41.435 40.800 0.120 0.000 1.267 954 D HN 0.480 nan 8.370 nan 0.000 0.531 955 F N -0.503 119.439 119.950 -0.013 0.000 2.824 955 F HA 0.642 5.169 4.527 -0.000 0.000 0.330 955 F C -1.014 174.740 175.800 -0.077 0.000 1.175 955 F CA -1.053 56.872 58.000 -0.124 0.000 0.974 955 F CB 0.675 39.596 39.000 -0.132 0.000 1.430 955 F HN -0.281 nan 8.300 nan 0.000 0.507 956 Q N 1.845 121.655 119.800 0.017 0.000 2.333 956 Q HA 0.498 4.838 4.340 -0.000 0.000 0.267 956 Q C -1.198 174.826 176.000 0.040 0.000 1.012 956 Q CA -0.456 55.300 55.803 -0.079 0.000 0.824 956 Q CB 2.187 30.818 28.738 -0.178 0.000 1.290 956 Q HN 0.761 nan 8.270 nan 0.000 0.449 957 F N -0.050 119.803 119.950 -0.162 0.000 2.579 957 F HA 0.815 5.342 4.527 -0.000 0.000 0.324 957 F C -0.774 174.828 175.800 -0.330 0.000 1.058 957 F CA -1.096 56.764 58.000 -0.232 0.000 0.944 957 F CB 1.767 40.637 39.000 -0.217 0.000 1.245 957 F HN 0.480 nan 8.300 nan 0.000 0.477 958 N N 2.788 121.411 118.700 -0.128 0.000 2.454 958 N HA 0.484 5.224 4.740 -0.000 0.000 0.291 958 N C -2.263 173.218 175.510 -0.047 0.000 1.079 958 N CA -0.621 52.309 53.050 -0.200 0.000 0.893 958 N CB 1.897 40.232 38.487 -0.252 0.000 1.512 958 N HN 1.072 nan 8.380 nan 0.000 0.497 959 I N 2.051 122.591 120.570 -0.049 0.000 2.478 959 I HA 0.715 4.885 4.170 -0.000 0.000 0.287 959 I C -1.119 174.935 176.117 -0.105 0.000 1.042 959 I CA -0.108 61.122 61.300 -0.117 0.000 1.067 959 I CB 1.313 39.155 38.000 -0.263 0.000 1.233 959 I HN 0.932 nan 8.210 nan 0.000 0.431 960 S N 6.665 122.345 115.700 -0.032 0.000 2.752 960 S HA 0.559 5.029 4.470 -0.000 0.000 0.284 960 S C -0.113 174.495 174.600 0.014 0.000 1.189 960 S CA -0.946 57.265 58.200 0.017 0.000 0.835 960 S CB 1.887 65.165 63.200 0.131 0.000 1.192 960 S HN 0.652 nan 8.310 nan 0.000 0.506 961 R N -0.095 120.315 120.500 -0.151 0.000 2.388 961 R HA 0.277 4.617 4.340 -0.000 0.000 0.247 961 R C -0.955 175.038 176.300 -0.512 0.000 0.931 961 R CA 0.190 56.095 56.100 -0.325 0.000 1.082 961 R CB -0.648 29.320 30.300 -0.554 0.000 1.135 961 R HN 0.625 nan 8.270 nan 0.000 0.525 962 Y N -0.099 120.162 120.300 -0.064 0.000 2.485 962 Y HA 0.318 4.868 4.550 -0.000 0.000 0.345 962 Y C 0.619 176.252 175.900 -0.444 0.000 0.998 962 Y CA -1.388 56.578 58.100 -0.224 0.000 1.059 962 Y CB 1.481 39.778 38.460 -0.272 0.000 1.234 962 Y HN -0.134 nan 8.280 nan 0.000 0.461 963 S N 1.472 116.850 115.700 -0.536 0.000 2.578 963 S HA 0.196 4.666 4.470 -0.000 0.000 0.283 963 S C 0.688 174.991 174.600 -0.495 0.000 1.195 963 S CA -0.778 56.849 58.200 -0.955 0.000 1.050 963 S CB 1.546 63.948 63.200 -1.330 0.000 1.012 963 S HN 0.738 nan 8.310 nan 0.000 0.511 964 Q N 1.657 121.183 119.800 -0.457 0.000 2.084 964 Q HA -0.323 4.017 4.340 -0.000 0.000 0.215 964 Q C 2.042 177.931 176.000 -0.185 0.000 1.020 964 Q CA 2.578 58.235 55.803 -0.243 0.000 0.887 964 Q CB -0.770 27.855 28.738 -0.188 0.000 0.975 964 Q HN 0.991 nan 8.270 nan 0.000 0.413 965 Q N 0.340 120.015 119.800 -0.208 0.000 2.096 965 Q HA -0.224 4.116 4.340 -0.000 0.000 0.204 965 Q C 2.090 178.013 176.000 -0.128 0.000 0.982 965 Q CA 1.680 57.407 55.803 -0.127 0.000 0.850 965 Q CB -0.097 28.591 28.738 -0.083 0.000 0.901 965 Q HN 0.458 nan 8.270 nan 0.000 0.422 966 Q N -0.002 119.694 119.800 -0.173 0.000 2.224 966 Q HA -0.123 4.217 4.340 -0.000 0.000 0.203 966 Q C 2.208 178.118 176.000 -0.151 0.000 0.970 966 Q CA 0.750 56.465 55.803 -0.146 0.000 0.865 966 Q CB 0.039 28.677 28.738 -0.165 0.000 0.922 966 Q HN 0.490 nan 8.270 nan 0.000 0.445 967 L N 0.195 121.326 121.223 -0.154 0.000 2.027 967 L HA -0.155 4.185 4.340 -0.000 0.000 0.206 967 L C 2.600 179.369 176.870 -0.168 0.000 1.074 967 L CA 1.259 56.004 54.840 -0.159 0.000 0.745 967 L CB -0.332 41.653 42.059 -0.123 0.000 0.898 967 L HN 0.358 nan 8.230 nan 0.000 0.433 968 M N -0.852 118.678 119.600 -0.117 0.000 2.722 968 M HA -0.073 4.407 4.480 -0.000 0.000 0.238 968 M C 1.179 177.430 176.300 -0.081 0.000 1.098 968 M CA 1.356 56.606 55.300 -0.083 0.000 1.062 968 M CB 0.033 32.619 32.600 -0.024 0.000 1.573 968 M HN 0.161 nan 8.290 nan 0.000 0.531 969 E N -0.639 119.502 120.200 -0.097 0.000 2.441 969 E HA 0.130 4.480 4.350 -0.000 0.000 0.212 969 E C -0.235 176.323 176.600 -0.071 0.000 0.840 969 E CA 0.169 56.530 56.400 -0.066 0.000 1.143 969 E CB 0.820 30.492 29.700 -0.047 0.000 1.153 969 E HN 0.357 nan 8.360 nan 0.000 0.539 970 T N 1.214 115.696 114.554 -0.120 0.000 2.780 970 T HA 0.086 4.436 4.350 -0.000 0.000 0.294 970 T C 1.055 175.664 174.700 -0.152 0.000 0.949 970 T CA -0.161 61.870 62.100 -0.114 0.000 1.074 970 T CB 1.518 70.296 68.868 -0.151 0.000 0.910 970 T HN 0.035 nan 8.240 nan 0.000 0.501 971 S N 1.700 117.403 115.700 0.005 0.000 2.524 971 S HA 0.091 4.561 4.470 -0.000 0.000 0.216 971 S C 0.186 174.866 174.600 0.133 0.000 0.987 971 S CA 0.027 58.276 58.200 0.081 0.000 0.909 971 S CB -0.153 63.276 63.200 0.382 0.000 0.781 971 S HN 0.723 nan 8.310 nan 0.000 0.521 972 H N 1.055 120.145 119.070 0.033 0.000 2.667 972 H HA 0.487 5.043 4.556 -0.000 0.000 0.353 972 H C 1.013 176.399 175.328 0.097 0.000 1.072 972 H CA -0.667 55.476 56.048 0.159 0.000 1.214 972 H CB 1.551 31.497 29.762 0.305 0.000 1.600 972 H HN 0.143 nan 8.280 nan 0.000 0.527 973 R N 1.897 122.510 120.500 0.189 0.000 2.154 973 R HA -0.238 4.102 4.340 -0.000 0.000 0.248 973 R C 1.038 177.400 176.300 0.103 0.000 1.155 973 R CA 2.158 58.311 56.100 0.089 0.000 0.979 973 R CB -0.468 29.867 30.300 0.059 0.000 0.869 973 R HN 0.759 nan 8.270 nan 0.000 0.452 974 H N 1.089 120.151 119.070 -0.013 0.000 2.547 974 H HA 0.087 4.643 4.556 -0.000 0.000 0.272 974 H C 1.450 176.691 175.328 -0.145 0.000 0.989 974 H CA 0.533 56.526 56.048 -0.092 0.000 1.214 974 H CB -0.154 29.531 29.762 -0.128 0.000 1.389 974 H HN 0.328 nan 8.280 nan 0.000 0.577 975 L N 0.950 121.969 121.223 -0.339 0.000 2.592 975 L HA 0.237 4.577 4.340 -0.000 0.000 0.227 975 L C 0.199 176.949 176.870 -0.199 0.000 1.127 975 L CA -0.075 54.553 54.840 -0.353 0.000 0.884 975 L CB -0.024 41.841 42.059 -0.322 0.000 1.065 975 L HN 0.043 nan 8.230 nan 0.000 0.457 976 L N 1.773 122.895 121.223 -0.169 0.000 2.290 976 L HA 0.245 4.585 4.340 -0.000 0.000 0.284 976 L C 0.272 177.145 176.870 0.006 0.000 1.078 976 L CA -0.299 54.446 54.840 -0.159 0.000 0.815 976 L CB 0.403 42.278 42.059 -0.308 0.000 1.162 976 L HN 0.168 nan 8.230 nan 0.000 0.435 977 H N 2.160 121.297 119.070 0.111 0.000 2.469 977 H HA 0.670 5.226 4.556 -0.000 0.000 0.342 977 H C -0.288 175.010 175.328 -0.050 0.000 1.115 977 H CA -1.140 54.925 56.048 0.027 0.000 1.204 977 H CB 1.298 31.038 29.762 -0.036 0.000 1.492 977 H HN 0.698 nan 8.280 nan 0.000 0.499 978 A N 3.147 125.927 122.820 -0.067 0.000 2.536 978 A HA 0.019 4.339 4.320 -0.000 0.000 0.234 978 A C 0.326 177.821 177.584 -0.149 0.000 1.076 978 A CA -0.015 51.780 52.037 -0.405 0.000 0.769 978 A CB -0.013 18.836 19.000 -0.251 0.000 1.020 978 A HN 0.885 nan 8.150 nan 0.000 0.508 979 E N -0.391 119.679 120.200 -0.217 0.000 2.250 979 E HA 0.164 4.514 4.350 -0.000 0.000 0.265 979 E C 0.772 177.377 176.600 0.009 0.000 1.033 979 E CA -0.638 55.785 56.400 0.038 0.000 0.888 979 E CB 0.856 30.703 29.700 0.244 0.000 1.151 979 E HN 0.799 nan 8.360 nan 0.000 0.412 980 E N 0.843 121.061 120.200 0.031 0.000 2.070 980 E HA -0.197 4.153 4.350 -0.000 0.000 0.197 980 E C 0.941 177.500 176.600 -0.068 0.000 1.004 980 E CA 1.609 57.992 56.400 -0.028 0.000 0.805 980 E CB 0.060 29.741 29.700 -0.033 0.000 0.744 980 E HN 0.612 nan 8.360 nan 0.000 0.451 981 G N -1.243 107.489 108.800 -0.113 0.000 3.441 981 G HA2 0.204 4.164 3.960 -0.000 0.000 0.195 981 G HA3 0.204 4.164 3.960 -0.000 0.000 0.195 981 G C -0.482 174.359 174.900 -0.099 0.000 1.633 981 G CA 0.019 45.036 45.100 -0.138 0.000 0.895 981 G HN 0.118 nan 8.290 nan 0.000 0.654 982 T N 0.541 115.017 114.554 -0.130 0.000 3.050 982 T HA 0.289 4.639 4.350 -0.000 0.000 0.310 982 T C -1.585 173.028 174.700 -0.145 0.000 0.978 982 T CA -0.291 61.794 62.100 -0.024 0.000 1.013 982 T CB 0.890 69.895 68.868 0.228 0.000 1.000 982 T HN 0.312 nan 8.240 nan 0.000 0.447 983 W N 3.581 124.834 121.300 -0.077 0.000 2.303 983 W HA 0.519 5.179 4.660 -0.000 0.000 0.318 983 W C -0.133 176.301 176.519 -0.143 0.000 1.362 983 W CA -0.499 56.788 57.345 -0.097 0.000 1.234 983 W CB 0.401 29.801 29.460 -0.099 0.000 1.248 983 W HN 0.312 nan 8.180 nan 0.000 0.546 984 L N 5.170 126.424 121.223 0.052 0.000 2.329 984 L HA 0.448 4.788 4.340 -0.000 0.000 0.279 984 L C -0.563 176.262 176.870 -0.074 0.000 1.014 984 L CA -0.616 54.158 54.840 -0.111 0.000 0.814 984 L CB 1.092 42.960 42.059 -0.317 0.000 1.257 984 L HN 0.343 nan 8.230 nan 0.000 0.424 985 N N 5.990 124.595 118.700 -0.159 0.000 2.410 985 N HA 0.516 5.256 4.740 -0.000 0.000 0.287 985 N C -1.389 173.975 175.510 -0.243 0.000 1.044 985 N CA -0.294 52.643 53.050 -0.188 0.000 0.881 985 N CB 2.391 40.771 38.487 -0.179 0.000 1.405 985 N HN 0.391 nan 8.380 nan 0.000 0.490 986 I N 1.447 121.847 120.570 -0.283 0.000 2.468 986 I HA 0.291 4.461 4.170 -0.000 0.000 0.284 986 I C -0.936 175.005 176.117 -0.293 0.000 1.038 986 I CA -0.559 60.561 61.300 -0.301 0.000 1.083 986 I CB 1.960 39.681 38.000 -0.465 0.000 1.223 986 I HN 0.164 nan 8.210 nan 0.000 0.443 987 D N 4.270 124.503 120.400 -0.279 0.000 2.256 987 D HA 0.330 4.970 4.640 -0.000 0.000 0.246 987 D C 0.954 176.944 176.300 -0.517 0.000 1.042 987 D CA -0.244 53.509 54.000 -0.412 0.000 0.841 987 D CB 3.004 43.574 40.800 -0.384 0.000 1.223 987 D HN 0.726 nan 8.370 nan 0.000 0.470 988 G N 0.894 109.104 108.800 -0.983 0.000 2.603 988 G HA2 0.079 4.039 3.960 -0.000 0.000 0.214 988 G HA3 0.079 4.039 3.960 -0.000 0.000 0.214 988 G C 0.039 173.973 174.900 -1.610 0.000 1.140 988 G CA 0.376 44.672 45.100 -1.339 0.000 0.800 988 G HN 0.339 nan 8.290 nan 0.000 0.533 989 F N -1.695 118.058 119.950 -0.329 0.000 2.641 989 F HA 0.477 5.004 4.527 -0.000 0.000 0.308 989 F C -0.713 175.019 175.800 -0.114 0.000 1.105 989 F CA -1.292 56.592 58.000 -0.194 0.000 0.964 989 F CB 1.751 40.566 39.000 -0.309 0.000 1.294 989 F HN -0.021 nan 8.300 nan 0.000 0.442 990 H N 3.318 122.409 119.070 0.035 0.000 3.018 990 H HA 0.462 5.018 4.556 -0.000 0.000 0.334 990 H C -0.680 174.678 175.328 0.050 0.000 0.983 990 H CA -1.008 55.030 56.048 -0.017 0.000 1.363 990 H CB 1.742 31.463 29.762 -0.068 0.000 1.668 990 H HN 0.860 nan 8.280 nan 0.000 0.513 991 M N 3.992 123.540 119.600 -0.087 0.000 2.252 991 M HA 0.242 4.722 4.480 -0.000 0.000 0.333 991 M C 0.181 176.362 176.300 -0.199 0.000 1.111 991 M CA 0.442 55.673 55.300 -0.115 0.000 1.140 991 M CB 0.583 33.105 32.600 -0.131 0.000 1.538 991 M HN 0.651 nan 8.290 nan 0.000 0.448 992 G N 3.543 112.326 108.800 -0.029 0.000 2.554 992 G HA2 0.315 4.275 3.960 -0.000 0.000 0.238 992 G HA3 0.315 4.275 3.960 -0.000 0.000 0.238 992 G C 0.696 175.481 174.900 -0.192 0.000 1.259 992 G CA -0.325 44.712 45.100 -0.105 0.000 0.843 992 G HN 1.026 nan 8.290 nan 0.000 0.582 993 I N 0.748 121.178 120.570 -0.234 0.000 2.235 993 I HA 0.329 4.499 4.170 -0.000 0.000 0.241 993 I C 1.578 177.578 176.117 -0.195 0.000 1.085 993 I CA 0.837 61.981 61.300 -0.260 0.000 1.378 993 I CB -0.821 36.950 38.000 -0.381 0.000 1.076 993 I HN 0.912 nan 8.210 nan 0.000 0.415 994 G N 0.726 109.421 108.800 -0.175 0.000 2.578 994 G HA2 0.103 4.063 3.960 -0.000 0.000 0.232 994 G HA3 0.103 4.063 3.960 -0.000 0.000 0.232 994 G C 0.696 175.535 174.900 -0.101 0.000 1.176 994 G CA 0.093 45.131 45.100 -0.103 0.000 0.968 994 G HN 1.617 nan 8.290 nan 0.000 0.583 995 G N -1.051 107.685 108.800 -0.105 0.000 2.141 995 G HA2 -0.021 3.939 3.960 -0.000 0.000 0.195 995 G HA3 -0.021 3.939 3.960 -0.000 0.000 0.195 995 G C 0.489 175.366 174.900 -0.038 0.000 1.012 995 G CA 1.028 46.055 45.100 -0.122 0.000 0.696 995 G HN 1.112 nan 8.290 nan 0.000 0.508 996 D N 0.686 121.072 120.400 -0.024 0.000 2.224 996 D HA 0.217 4.857 4.640 -0.000 0.000 0.205 996 D C 1.233 177.488 176.300 -0.075 0.000 0.965 996 D CA 1.926 55.969 54.000 0.072 0.000 0.852 996 D CB 0.248 41.105 40.800 0.096 0.000 0.947 996 D HN 0.868 nan 8.370 nan 0.000 0.494 997 D N -3.660 116.534 120.400 -0.343 0.000 2.851 997 D HA 0.320 4.960 4.640 -0.000 0.000 0.339 997 D C -0.740 175.130 176.300 -0.717 0.000 1.347 997 D CA -0.648 52.813 54.000 -0.898 0.000 0.888 997 D CB 0.636 40.528 40.800 -1.514 0.000 1.431 997 D HN -0.286 nan 8.370 nan 0.000 0.509 998 S N -1.214 113.892 115.700 -0.991 0.000 2.941 998 S HA 0.251 4.721 4.470 -0.000 0.000 0.251 998 S C -0.764 174.001 174.600 0.275 0.000 1.029 998 S CA -0.679 57.469 58.200 -0.086 0.000 1.062 998 S CB -0.335 63.040 63.200 0.292 0.000 0.977 998 S HN 0.599 nan 8.310 nan 0.000 0.552 999 W N 1.149 122.488 121.300 0.065 0.000 2.036 999 W HA 0.578 5.238 4.660 -0.000 0.000 0.298 999 W C 0.094 176.601 176.519 -0.021 0.000 0.885 999 W CA -0.500 56.852 57.345 0.011 0.000 1.488 999 W CB -0.330 29.077 29.460 -0.089 0.000 1.079 999 W HN 0.200 nan 8.180 nan 0.000 0.506 1000 S N -0.223 115.372 115.700 -0.175 0.000 2.547 1000 S HA 0.536 5.006 4.470 -0.000 0.000 0.270 1000 S C -3.042 171.478 174.600 -0.133 0.000 1.150 1000 S CA -1.539 56.578 58.200 -0.138 0.000 0.850 1000 S CB 1.367 64.500 63.200 -0.110 0.000 1.118 1000 S HN -0.138 nan 8.310 nan 0.000 0.461 1001 P HA 0.115 nan 4.420 nan 0.000 0.256 1001 P C 0.450 177.760 177.300 0.018 0.000 1.173 1001 P CA 0.296 63.375 63.100 -0.035 0.000 0.768 1001 P CB 0.454 32.051 31.700 -0.172 0.000 0.758 1002 S N 1.676 117.411 115.700 0.060 0.000 2.650 1002 S HA 0.150 4.620 4.470 -0.000 0.000 0.240 1002 S C 0.155 174.803 174.600 0.079 0.000 1.007 1002 S CA -0.391 57.826 58.200 0.030 0.000 0.984 1002 S CB -0.131 63.038 63.200 -0.053 0.000 0.910 1002 S HN 0.107 nan 8.310 nan 0.000 0.509 1003 V N 4.179 124.191 119.914 0.163 0.000 2.368 1003 V HA 0.407 4.527 4.120 -0.000 0.000 0.266 1003 V C 0.788 177.016 176.094 0.223 0.000 1.045 1003 V CA -0.369 62.032 62.300 0.168 0.000 0.899 1003 V CB 0.335 32.232 31.823 0.124 0.000 1.006 1003 V HN 0.676 nan 8.190 nan 0.000 0.470 1004 S N 4.631 120.472 115.700 0.236 0.000 2.584 1004 S HA 0.378 4.848 4.470 -0.000 0.000 0.270 1004 S C 1.526 176.283 174.600 0.262 0.000 1.346 1004 S CA 0.028 58.374 58.200 0.244 0.000 1.018 1004 S CB 1.386 64.714 63.200 0.214 0.000 0.899 1004 S HN 0.985 nan 8.310 nan 0.000 0.542 1005 A N 1.719 124.650 122.820 0.185 0.000 1.892 1005 A HA -0.173 4.147 4.320 -0.000 0.000 0.218 1005 A C 1.827 179.467 177.584 0.093 0.000 1.188 1005 A CA 1.986 54.119 52.037 0.161 0.000 0.631 1005 A CB -1.423 17.646 19.000 0.115 0.000 0.822 1005 A HN 0.975 nan 8.150 nan 0.000 0.447 1006 E N -0.904 119.296 120.200 -0.001 0.000 2.501 1006 E HA -0.104 4.246 4.350 -0.000 0.000 0.203 1006 E C 0.224 176.531 176.600 -0.489 0.000 1.072 1006 E CA 0.827 57.083 56.400 -0.239 0.000 0.885 1006 E CB -0.546 28.933 29.700 -0.369 0.000 0.813 1006 E HN 0.728 nan 8.360 nan 0.000 0.556 1007 F N 0.218 120.208 119.950 0.067 0.000 2.775 1007 F HA 0.265 4.792 4.527 -0.000 0.000 0.313 1007 F C 0.085 175.903 175.800 0.029 0.000 1.121 1007 F CA -0.515 57.513 58.000 0.046 0.000 1.206 1007 F CB 0.479 39.498 39.000 0.031 0.000 1.052 1007 F HN -0.172 nan 8.300 nan 0.000 0.524 1008 Q N 1.501 121.403 119.800 0.169 0.000 2.322 1008 Q HA 0.479 4.819 4.340 -0.000 0.000 0.265 1008 Q C -0.401 175.634 176.000 0.059 0.000 0.985 1008 Q CA -0.675 55.226 55.803 0.163 0.000 0.849 1008 Q CB 2.426 31.379 28.738 0.358 0.000 1.274 1008 Q HN 0.247 nan 8.270 nan 0.000 0.449 1009 L N 2.456 123.676 121.223 -0.005 0.000 2.505 1009 L HA 0.056 4.396 4.340 -0.000 0.000 0.279 1009 L C 0.496 177.242 176.870 -0.207 0.000 1.211 1009 L CA 0.065 54.850 54.840 -0.091 0.000 1.059 1009 L CB -0.584 41.319 42.059 -0.260 0.000 1.340 1009 L HN 0.697 nan 8.230 nan 0.000 0.447 1010 S N -0.628 114.940 115.700 -0.221 0.000 2.730 1010 S HA 0.214 4.684 4.470 -0.000 0.000 0.244 1010 S C 1.577 176.080 174.600 -0.162 0.000 1.022 1010 S CA 0.107 58.004 58.200 -0.505 0.000 1.014 1010 S CB 0.887 63.856 63.200 -0.384 0.000 0.963 1010 S HN 0.559 nan 8.310 nan 0.000 0.540 1011 A N 1.906 124.688 122.820 -0.063 0.000 2.019 1011 A HA 0.397 4.717 4.320 -0.000 0.000 0.219 1011 A C 2.158 179.560 177.584 -0.303 0.000 1.164 1011 A CA 1.526 53.362 52.037 -0.334 0.000 0.644 1011 A CB -1.238 17.258 19.000 -0.840 0.000 0.805 1011 A HN 1.546 nan 8.150 nan 0.000 0.449 1012 G N -2.088 106.641 108.800 -0.118 0.000 2.268 1012 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.240 1012 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.240 1012 G C 0.335 175.219 174.900 -0.026 0.000 1.010 1012 G CA 0.330 45.409 45.100 -0.035 0.000 0.618 1012 G HN 0.735 nan 8.290 nan 0.000 0.516 1013 R N -1.002 119.368 120.500 -0.217 0.000 2.522 1013 R HA 0.559 4.899 4.340 -0.000 0.000 0.273 1013 R C -1.740 174.340 176.300 -0.366 0.000 1.133 1013 R CA -0.632 55.402 56.100 -0.110 0.000 0.969 1013 R CB 1.351 31.600 30.300 -0.085 0.000 1.235 1013 R HN 0.179 nan 8.270 nan 0.000 0.433 1014 Y N 0.108 120.442 120.300 0.058 0.000 2.576 1014 Y HA 0.472 5.022 4.550 -0.000 0.000 0.346 1014 Y C -0.305 175.821 175.900 0.376 0.000 1.018 1014 Y CA -0.832 57.335 58.100 0.112 0.000 1.050 1014 Y CB 2.294 40.729 38.460 -0.040 0.000 1.280 1014 Y HN 0.604 nan 8.280 nan 0.000 0.474 1015 H N 1.229 120.650 119.070 0.585 0.000 2.865 1015 H HA 0.607 5.163 4.556 -0.000 0.000 0.362 1015 H C -1.938 173.750 175.328 0.600 0.000 1.114 1015 H CA -0.786 55.543 56.048 0.469 0.000 1.208 1015 H CB 1.390 31.304 29.762 0.253 0.000 1.727 1015 H HN 0.533 nan 8.280 nan 0.000 0.534 1016 Y N 1.363 121.521 120.300 -0.236 0.000 2.597 1016 Y HA 0.530 5.080 4.550 -0.000 0.000 0.340 1016 Y C -1.599 174.114 175.900 -0.312 0.000 1.097 1016 Y CA -1.241 56.765 58.100 -0.156 0.000 1.037 1016 Y CB 1.369 39.773 38.460 -0.092 0.000 1.305 1016 Y HN 0.714 nan 8.280 nan 0.000 0.463 1017 Q N 1.599 121.375 119.800 -0.041 0.000 2.375 1017 Q HA 0.828 5.168 4.340 -0.000 0.000 0.271 1017 Q C -1.771 174.253 176.000 0.041 0.000 1.074 1017 Q CA -0.722 55.044 55.803 -0.061 0.000 0.808 1017 Q CB 2.768 31.557 28.738 0.086 0.000 1.327 1017 Q HN 0.841 nan 8.270 nan 0.000 0.441 1018 L N 1.284 122.506 121.223 -0.001 0.000 2.409 1018 L HA 0.740 5.080 4.340 -0.000 0.000 0.255 1018 L C -1.434 175.498 176.870 0.102 0.000 1.027 1018 L CA -1.050 53.821 54.840 0.052 0.000 0.834 1018 L CB 2.698 44.760 42.059 0.005 0.000 1.426 1018 L HN 0.354 nan 8.230 nan 0.000 0.411 1019 V N 0.664 120.673 119.914 0.159 0.000 2.509 1019 V HA 0.274 4.394 4.120 -0.000 0.000 0.289 1019 V C -1.521 174.724 176.094 0.251 0.000 1.026 1019 V CA -0.414 62.000 62.300 0.190 0.000 0.872 1019 V CB 1.793 33.708 31.823 0.153 0.000 1.017 1019 V HN 0.591 nan 8.190 nan 0.000 0.436 1020 W N 7.303 128.612 121.300 0.014 0.000 2.376 1020 W HA 0.751 5.411 4.660 -0.000 0.000 0.312 1020 W C -0.245 176.228 176.519 -0.077 0.000 1.060 1020 W CA -1.239 56.026 57.345 -0.133 0.000 1.221 1020 W CB 1.389 30.792 29.460 -0.096 0.000 1.281 1020 W HN 0.815 nan 8.180 nan 0.000 0.456 1021 C N 5.165 124.677 119.300 0.353 0.000 3.173 1021 C HA 0.755 5.215 4.460 -0.000 0.000 0.310 1021 C C -0.351 174.740 174.990 0.168 0.000 1.306 1021 C CA -0.669 58.474 59.018 0.208 0.000 1.426 1021 C CB 1.379 29.205 27.740 0.143 0.000 1.800 1021 C HN 0.647 nan 8.230 nan 0.000 0.470 1022 Q N 1.188 121.060 119.800 0.119 0.000 2.386 1022 Q HA 0.842 5.182 4.340 -0.000 0.000 0.172 1022 Q C -0.396 175.615 176.000 0.018 0.000 1.009 1022 Q CA -0.333 55.504 55.803 0.058 0.000 1.039 1022 Q CB 0.672 29.412 28.738 0.003 0.000 1.544 1022 Q HN 0.806 nan 8.270 nan 0.000 0.515 1023 K N 0.000 120.384 120.400 -0.027 0.000 2.780 1023 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 1023 K CA 0.000 56.268 56.287 -0.031 0.000 0.838 1023 K CB 0.000 32.480 32.500 -0.033 0.000 1.064 1023 K HN 0.000 nan 8.250 nan 0.000 0.543