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 1jz3_1_D DATA FIRST_RESID 13 DATA SEQUENCE RRDWENPGVT QLNRLAAHPP FASWRNSEEA RTDRPSQQLR SLNGEWRFAW DATA SEQUENCE FPAPEAVPES WLECDLPEAD TVVVPSNWQM HGYDAPIYTN VTYPITVNPP DATA SEQUENCE FVPTENPTGC YSLTFNVDES WLQEGQTRII FDGVNSAFHL WCNGRWVGYG DATA SEQUENCE QDSRLPSEFD LSAFLRAGEN RLAVMVLRWS DGSYLEDQDM WRMSGIFRDV DATA SEQUENCE SLLHKPTTQI SDFHVATRFN DDFSRAVLEA EVQMCGELRD YLRVTVSLWQ DATA SEQUENCE GETQVASGTA PFGGEIIDER GGYADRVTLR LNVENPKLWS AEIPNLYRAV DATA SEQUENCE VELHTADGTL IEAEACDVGF REVRIENGLL LLNGKPLLIR GVNRHEHHPL DATA SEQUENCE HGQVMDEQTM VQDILLMKQN NFNAVRCSHY PNHPLWYTLC DRYGLYVVDE DATA SEQUENCE ANIETHGMVP MNRLTDDPRW LPAMSERVTR MVQRDRNHPS VIIWSLGNES DATA SEQUENCE GHGANHDALY RWIKSVDPSR PVQYEGGGAD TTATDIICPM YARVDEDQPF DATA SEQUENCE PAVPKWSIKK WLSLPGETRP LILCEYAHAM GNSLGGFAKY WQAFRQYPRL DATA SEQUENCE QGGFVWDWVD QSLIKYDENG NPWSAYGGDF GDTPNDRQFC MNGLVFADRT DATA SEQUENCE PHPALTEAKH QQQFFQFRLS GQTIEVTSEY LFRHSDNELL HWMVALDGKP DATA SEQUENCE LASGEVPLDV APQGKQLIEL PELPQPESAG QLWLTVRVVQ PNATAWSEAG DATA SEQUENCE HISAWQQWRL AENLSVTLPA ASHAIPHLTT SEMDFCIELG NKRWQFNRQS DATA SEQUENCE GFLSQMWIGD KKQLLTPLRD QFTRAPLDND IGVSEATRID PNAWVERWKA DATA SEQUENCE AGHYQAEAAL LQCTADTLAD AVLITTAHAW QHQGKTLFIS RKTYRIDGSG DATA SEQUENCE QMAITVDVEV ASDTPHPARI GLNCQLAQVA ERVNWLGLGP QENYPDRLTA DATA SEQUENCE ACFDRWDLPL SDMYTPYVFP SENGLRCGTR ELNYGPHQWR GDFQFNISRY DATA SEQUENCE SQQQLMETSH RHLLHAEEGT WLNIDGFHMG IGGDDSWSPS VSAEFQLSAG DATA SEQUENCE RYHYQLVWCQ K VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 13 R HA 0.000 nan 4.340 nan 0.000 0.208 13 R C 0.000 176.070 176.300 -0.383 0.000 0.893 13 R CA 0.000 55.957 56.100 -0.238 0.000 0.921 13 R CB 0.000 30.161 30.300 -0.232 0.000 0.687 14 R N 1.257 121.428 120.500 -0.548 0.000 3.436 14 R HA 0.160 4.508 4.340 0.014 0.000 0.247 14 R C -0.261 175.513 176.300 -0.877 0.000 1.434 14 R CA -0.379 55.007 56.100 -1.190 0.000 1.543 14 R CB 0.317 30.061 30.300 -0.927 0.000 1.289 14 R HN 0.508 nan 8.270 nan 0.000 0.664 15 D N 1.046 121.118 120.400 -0.546 0.000 2.311 15 D HA -0.180 4.469 4.640 0.014 0.000 0.212 15 D C 1.291 177.492 176.300 -0.166 0.000 0.972 15 D CA 1.135 54.898 54.000 -0.395 0.000 0.887 15 D CB 0.169 40.568 40.800 -0.668 0.000 0.915 15 D HN 0.642 nan 8.370 nan 0.000 0.497 16 W N 1.154 122.455 121.300 0.001 0.000 3.180 16 W HA 0.208 4.876 4.660 0.013 0.000 0.254 16 W C 0.480 177.085 176.519 0.144 0.000 1.318 16 W CA -0.265 57.185 57.345 0.175 0.000 1.608 16 W CB -0.178 29.439 29.460 0.260 0.000 1.124 16 W HN -0.202 nan 8.180 nan 0.000 0.694 17 E N 1.203 121.303 120.200 -0.167 0.000 3.157 17 E HA 0.061 4.419 4.350 0.014 0.000 0.203 17 E C -0.802 175.658 176.600 -0.232 0.000 0.982 17 E CA -0.219 56.099 56.400 -0.136 0.000 1.217 17 E CB -0.171 29.443 29.700 -0.143 0.000 1.123 17 E HN 0.028 nan 8.360 nan 0.000 0.457 18 N N 0.986 119.578 118.700 -0.180 0.000 2.599 18 N HA 0.136 4.884 4.740 0.014 0.000 0.283 18 N C -2.456 172.914 175.510 -0.233 0.000 1.160 18 N CA -1.835 51.071 53.050 -0.240 0.000 0.869 18 N CB 1.574 39.932 38.487 -0.215 0.000 1.448 18 N HN -0.190 nan 8.380 nan 0.000 0.535 19 P HA 0.111 nan 4.420 nan 0.000 0.233 19 P C 1.059 178.124 177.300 -0.392 0.000 1.167 19 P CA 0.562 63.338 63.100 -0.540 0.000 0.770 19 P CB 0.173 31.101 31.700 -1.287 0.000 0.837 20 G N -0.419 108.195 108.800 -0.311 0.000 2.623 20 G HA2 0.043 4.011 3.960 0.014 0.000 0.214 20 G HA3 0.043 4.011 3.960 0.014 0.000 0.214 20 G C 0.297 175.119 174.900 -0.131 0.000 1.138 20 G CA 0.181 45.151 45.100 -0.217 0.000 0.794 20 G HN 0.194 nan 8.290 nan 0.000 0.535 21 V N 1.892 121.743 119.914 -0.104 0.000 2.293 21 V HA 0.290 4.419 4.120 0.014 0.000 0.275 21 V C 0.908 177.042 176.094 0.067 0.000 1.021 21 V CA 0.173 62.457 62.300 -0.026 0.000 0.815 21 V CB 1.102 32.890 31.823 -0.059 0.000 1.025 21 V HN 0.331 nan 8.190 nan 0.000 0.448 22 T N 0.755 115.352 114.554 0.071 0.000 3.054 22 T HA 0.375 4.733 4.350 0.014 0.000 0.255 22 T C 0.239 175.001 174.700 0.102 0.000 1.035 22 T CA -0.006 62.151 62.100 0.095 0.000 0.941 22 T CB 0.246 69.122 68.868 0.013 0.000 1.026 22 T HN 0.694 nan 8.240 nan 0.000 0.533 23 Q N 0.224 120.128 119.800 0.173 0.000 2.776 23 Q HA 0.662 5.010 4.340 0.014 0.000 0.289 23 Q C -2.278 173.866 176.000 0.240 0.000 0.912 23 Q CA -1.050 54.853 55.803 0.166 0.000 0.789 23 Q CB 0.778 29.526 28.738 0.017 0.000 1.498 23 Q HN 0.216 nan 8.270 nan 0.000 0.408 24 L N 1.678 123.072 121.223 0.286 0.000 2.470 24 L HA 0.620 4.968 4.340 0.014 0.000 0.268 24 L C -0.583 176.419 176.870 0.220 0.000 0.964 24 L CA -0.870 54.134 54.840 0.274 0.000 0.839 24 L CB 1.914 44.245 42.059 0.454 0.000 1.276 24 L HN 0.845 nan 8.230 nan 0.000 0.403 25 N N 0.745 119.540 118.700 0.157 0.000 2.828 25 N HA -0.197 4.551 4.740 0.014 0.000 0.248 25 N C 0.200 175.791 175.510 0.135 0.000 1.044 25 N CA 0.829 53.960 53.050 0.134 0.000 0.851 25 N CB -0.741 37.782 38.487 0.059 0.000 1.136 25 N HN 0.662 nan 8.380 nan 0.000 0.572 26 R N 0.938 121.444 120.500 0.010 0.000 2.490 26 R HA 0.395 4.743 4.340 0.014 0.000 0.280 26 R C 0.480 176.650 176.300 -0.218 0.000 1.077 26 R CA -0.318 55.585 56.100 -0.328 0.000 1.065 26 R CB 0.525 30.614 30.300 -0.352 0.000 1.003 26 R HN 0.122 nan 8.270 nan 0.000 0.470 27 L N 2.990 124.047 121.223 -0.277 0.000 2.453 27 L HA 0.313 4.661 4.340 0.014 0.000 0.261 27 L C 0.667 177.481 176.870 -0.093 0.000 1.179 27 L CA -0.554 54.214 54.840 -0.121 0.000 0.813 27 L CB 0.915 42.930 42.059 -0.074 0.000 1.110 27 L HN 0.772 nan 8.230 nan 0.000 0.466 28 A N 1.484 124.289 122.820 -0.024 0.000 2.466 28 A HA 0.489 4.818 4.320 0.014 0.000 0.238 28 A C 0.318 177.910 177.584 0.012 0.000 1.074 28 A CA 0.066 52.098 52.037 -0.009 0.000 0.774 28 A CB 0.158 19.174 19.000 0.027 0.000 1.015 28 A HN 0.804 nan 8.150 nan 0.000 0.498 29 A N 0.993 123.774 122.820 -0.066 0.000 2.332 29 A HA 0.692 5.020 4.320 0.014 0.000 0.258 29 A C 0.112 177.599 177.584 -0.162 0.000 1.087 29 A CA 0.509 52.427 52.037 -0.198 0.000 0.802 29 A CB -0.040 18.839 19.000 -0.201 0.000 1.042 29 A HN 1.926 nan 8.150 nan 0.000 0.489 30 H N -2.514 116.396 119.070 -0.267 0.000 2.904 30 H HA 0.627 5.191 4.556 0.014 0.000 0.290 30 H C -3.388 171.664 175.328 -0.460 0.000 1.437 30 H CA -1.711 54.123 56.048 -0.358 0.000 1.147 30 H CB 0.108 29.547 29.762 -0.538 0.000 1.824 30 H HN 0.388 nan 8.280 nan 0.000 0.505 31 P HA 0.253 nan 4.420 nan 0.000 0.276 31 P C -2.608 174.551 177.300 -0.235 0.000 1.261 31 P CA -1.610 61.298 63.100 -0.320 0.000 0.800 31 P CB -0.217 31.224 31.700 -0.432 0.000 1.066 32 P HA 0.079 nan 4.420 nan 0.000 0.263 32 P C -0.716 176.815 177.300 0.385 0.000 1.195 32 P CA 1.111 64.263 63.100 0.086 0.000 0.762 32 P CB -0.068 31.719 31.700 0.145 0.000 0.799 33 F N 1.266 121.317 119.950 0.167 0.000 2.556 33 F HA 0.612 5.147 4.527 0.013 0.000 0.327 33 F C 0.925 176.650 175.800 -0.125 0.000 1.059 33 F CA -1.056 56.987 58.000 0.072 0.000 0.953 33 F CB 2.220 41.224 39.000 0.005 0.000 1.227 33 F HN 0.202 nan 8.300 nan 0.000 0.478 34 A N 0.314 123.041 122.820 -0.155 0.000 2.701 34 A HA 0.244 4.572 4.320 0.014 0.000 0.241 34 A C 0.524 177.810 177.584 -0.496 0.000 1.231 34 A CA 0.354 52.055 52.037 -0.560 0.000 1.003 34 A CB -0.086 18.017 19.000 -1.495 0.000 1.281 34 A HN 0.733 nan 8.150 nan 0.000 0.600 35 S N 0.476 116.007 115.700 -0.282 0.000 3.524 35 S HA -0.150 4.328 4.470 0.014 0.000 0.377 35 S C -0.021 174.524 174.600 -0.092 0.000 0.949 35 S CA 0.438 58.527 58.200 -0.185 0.000 1.264 35 S CB -1.489 61.592 63.200 -0.199 0.000 0.918 35 S HN 0.475 nan 8.310 nan 0.000 0.517 36 W N 1.867 123.149 121.300 -0.030 0.000 2.170 36 W HA 0.266 4.934 4.660 0.013 0.000 0.336 36 W C 1.335 177.843 176.519 -0.018 0.000 1.283 36 W CA -0.588 56.752 57.345 -0.008 0.000 1.224 36 W CB 0.339 29.791 29.460 -0.013 0.000 1.132 36 W HN 0.340 nan 8.180 nan 0.000 0.571 37 R N 1.949 122.593 120.500 0.239 0.000 2.509 37 R HA 0.083 4.431 4.340 0.014 0.000 0.300 37 R C -0.051 176.320 176.300 0.118 0.000 0.985 37 R CA -0.105 56.078 56.100 0.139 0.000 1.092 37 R CB -0.098 30.267 30.300 0.107 0.000 1.237 37 R HN 0.353 nan 8.270 nan 0.000 0.546 38 N N 0.172 118.954 118.700 0.137 0.000 2.454 38 N HA 0.118 4.866 4.740 0.014 0.000 0.291 38 N C -0.063 175.432 175.510 -0.026 0.000 1.079 38 N CA -0.007 53.074 53.050 0.052 0.000 0.893 38 N CB 1.851 40.370 38.487 0.052 0.000 1.512 38 N HN -0.262 nan 8.380 nan 0.000 0.497 39 S N 2.386 118.048 115.700 -0.062 0.000 2.370 39 S HA -0.180 4.298 4.470 0.014 0.000 0.226 39 S C 1.407 175.853 174.600 -0.257 0.000 1.033 39 S CA 1.337 59.456 58.200 -0.135 0.000 1.011 39 S CB -0.035 63.113 63.200 -0.086 0.000 0.852 39 S HN 0.761 nan 8.310 nan 0.000 0.457 40 E N 1.466 121.534 120.200 -0.219 0.000 2.106 40 E HA -0.140 4.218 4.350 0.014 0.000 0.192 40 E C 1.893 178.301 176.600 -0.320 0.000 0.984 40 E CA 1.141 57.372 56.400 -0.281 0.000 0.806 40 E CB -0.148 29.440 29.700 -0.186 0.000 0.750 40 E HN 0.290 nan 8.360 nan 0.000 0.458 41 E N 0.156 120.197 120.200 -0.264 0.000 2.106 41 E HA -0.126 4.233 4.350 0.014 0.000 0.192 41 E C 2.000 178.130 176.600 -0.784 0.000 0.984 41 E CA 1.096 57.320 56.400 -0.292 0.000 0.806 41 E CB -0.500 29.181 29.700 -0.033 0.000 0.750 41 E HN 0.388 nan 8.360 nan 0.000 0.458 42 A N 1.616 123.748 122.820 -1.147 0.000 1.902 42 A HA -0.201 4.128 4.320 0.014 0.000 0.217 42 A C 2.242 179.204 177.584 -1.036 0.000 1.181 42 A CA 1.690 52.642 52.037 -1.808 0.000 0.623 42 A CB -0.514 17.907 19.000 -0.965 0.000 0.818 42 A HN 0.141 nan 8.150 nan 0.000 0.443 43 R N -0.199 119.891 120.500 -0.685 0.000 2.091 43 R HA -0.141 4.207 4.340 0.014 0.000 0.238 43 R C 2.007 178.030 176.300 -0.462 0.000 1.136 43 R CA 2.129 57.870 56.100 -0.598 0.000 0.959 43 R CB -0.497 29.323 30.300 -0.800 0.000 0.856 43 R HN 0.631 nan 8.270 nan 0.000 0.437 44 T N -2.695 111.615 114.554 -0.406 0.000 3.129 44 T HA 0.034 4.392 4.350 0.014 0.000 0.251 44 T C 0.341 174.947 174.700 -0.158 0.000 1.117 44 T CA 0.615 62.568 62.100 -0.244 0.000 1.034 44 T CB 0.061 68.819 68.868 -0.184 0.000 0.968 44 T HN 0.378 nan 8.240 nan 0.000 0.526 45 D N 0.482 120.747 120.400 -0.224 0.000 3.041 45 D HA -0.154 4.494 4.640 0.014 0.000 0.220 45 D C 0.161 176.582 176.300 0.201 0.000 1.157 45 D CA 0.470 54.481 54.000 0.018 0.000 0.876 45 D CB -1.122 39.733 40.800 0.091 0.000 1.107 45 D HN 0.580 nan 8.370 nan 0.000 0.422 46 R N 0.003 120.594 120.500 0.152 0.000 2.649 46 R HA 0.493 4.841 4.340 0.014 0.000 0.270 46 R C -2.093 174.474 176.300 0.446 0.000 1.105 46 R CA -1.237 55.000 56.100 0.228 0.000 1.193 46 R CB 0.118 30.492 30.300 0.124 0.000 1.120 46 R HN 0.054 nan 8.270 nan 0.000 0.561 47 P HA -0.020 nan 4.420 nan 0.000 0.270 47 P C -0.884 176.559 177.300 0.238 0.000 1.223 47 P CA 0.109 63.341 63.100 0.220 0.000 0.785 47 P CB 0.746 32.525 31.700 0.132 0.000 0.923 48 S N 0.726 116.435 115.700 0.016 0.000 2.478 48 S HA 0.152 4.630 4.470 0.014 0.000 0.312 48 S C 0.795 175.410 174.600 0.024 0.000 1.094 48 S CA -0.471 57.685 58.200 -0.073 0.000 1.081 48 S CB 0.470 63.364 63.200 -0.511 0.000 1.007 48 S HN 0.307 nan 8.310 nan 0.000 0.475 49 Q N 2.165 122.025 119.800 0.099 0.000 2.500 49 Q HA -0.016 4.332 4.340 0.014 0.000 0.213 49 Q C 1.070 177.214 176.000 0.240 0.000 0.974 49 Q CA 0.765 56.654 55.803 0.143 0.000 0.918 49 Q CB 0.129 28.956 28.738 0.148 0.000 0.980 49 Q HN 0.686 nan 8.270 nan 0.000 0.505 50 Q N -0.151 119.754 119.800 0.175 0.000 2.403 50 Q HA 0.054 4.402 4.340 0.014 0.000 0.203 50 Q C -0.118 175.971 176.000 0.149 0.000 0.932 50 Q CA 0.295 56.229 55.803 0.217 0.000 0.945 50 Q CB 0.369 29.128 28.738 0.034 0.000 1.045 50 Q HN 0.143 nan 8.270 nan 0.000 0.511 51 L N 0.515 121.800 121.223 0.102 0.000 2.372 51 L HA 0.415 4.763 4.340 0.014 0.000 0.274 51 L C -1.124 175.809 176.870 0.105 0.000 0.988 51 L CA -0.301 54.577 54.840 0.063 0.000 0.833 51 L CB 1.379 43.395 42.059 -0.071 0.000 1.236 51 L HN -0.185 nan 8.230 nan 0.000 0.410 52 R N 2.500 123.090 120.500 0.150 0.000 2.711 52 R HA 0.655 5.003 4.340 0.014 0.000 0.284 52 R C -0.796 175.537 176.300 0.055 0.000 0.968 52 R CA -0.765 55.397 56.100 0.104 0.000 0.924 52 R CB 2.174 32.548 30.300 0.124 0.000 1.162 52 R HN 0.692 nan 8.270 nan 0.000 0.465 53 S N 1.910 117.633 115.700 0.039 0.000 2.541 53 S HA 0.315 4.793 4.470 0.014 0.000 0.283 53 S C 0.500 175.120 174.600 0.034 0.000 1.196 53 S CA -0.660 57.556 58.200 0.027 0.000 1.062 53 S CB 0.624 63.846 63.200 0.037 0.000 1.009 53 S HN 0.560 nan 8.310 nan 0.000 0.502 54 L N 3.341 124.589 121.223 0.043 0.000 2.818 54 L HA 0.316 4.665 4.340 0.014 0.000 0.243 54 L C 0.136 177.187 176.870 0.302 0.000 1.185 54 L CA -0.408 54.497 54.840 0.108 0.000 0.988 54 L CB -0.400 41.703 42.059 0.073 0.000 1.292 54 L HN 0.508 nan 8.230 nan 0.000 0.519 55 N N 1.239 120.053 118.700 0.189 0.000 2.453 55 N HA 0.498 5.246 4.740 0.014 0.000 0.253 55 N C 0.665 176.313 175.510 0.231 0.000 1.252 55 N CA 1.011 54.173 53.050 0.187 0.000 0.917 55 N CB 1.221 39.749 38.487 0.068 0.000 1.117 55 N HN 0.296 nan 8.380 nan 0.000 0.442 56 G N 0.312 109.264 108.800 0.252 0.000 2.247 56 G HA2 -0.087 3.881 3.960 0.014 0.000 0.229 56 G HA3 -0.087 3.881 3.960 0.014 0.000 0.229 56 G C -1.524 173.585 174.900 0.349 0.000 1.345 56 G CA -0.795 44.443 45.100 0.230 0.000 1.100 56 G HN 0.471 nan 8.290 nan 0.000 0.473 57 E N 0.139 120.511 120.200 0.286 0.000 2.194 57 E HA 0.455 4.813 4.350 0.014 0.000 0.284 57 E C -0.911 175.931 176.600 0.403 0.000 1.035 57 E CA -0.175 56.411 56.400 0.311 0.000 0.836 57 E CB 1.017 30.818 29.700 0.168 0.000 1.070 57 E HN 0.350 nan 8.360 nan 0.000 0.401 58 W N 1.712 123.107 121.300 0.157 0.000 2.804 58 W HA 0.403 5.071 4.660 0.014 0.000 0.352 58 W C 0.239 176.891 176.519 0.222 0.000 1.153 58 W CA -0.716 56.754 57.345 0.210 0.000 1.119 58 W CB 0.737 30.380 29.460 0.304 0.000 1.448 58 W HN 0.184 nan 8.180 nan 0.000 0.600 59 R N 1.348 122.143 120.500 0.490 0.000 2.474 59 R HA 0.604 4.952 4.340 0.014 0.000 0.295 59 R C -1.489 175.075 176.300 0.439 0.000 0.980 59 R CA -0.888 55.432 56.100 0.367 0.000 0.934 59 R CB 1.394 31.850 30.300 0.261 0.000 1.101 59 R HN 0.466 nan 8.270 nan 0.000 0.469 60 F N 0.308 120.306 119.950 0.082 0.000 2.601 60 F HA 0.650 5.185 4.527 0.014 0.000 0.309 60 F C -1.571 174.075 175.800 -0.257 0.000 1.089 60 F CA -0.657 57.253 58.000 -0.150 0.000 0.940 60 F CB 2.051 40.862 39.000 -0.314 0.000 1.273 60 F HN 0.625 nan 8.300 nan 0.000 0.450 61 A N 4.152 126.205 122.820 -1.279 0.000 2.449 61 A HA 0.589 4.918 4.320 0.014 0.000 0.302 61 A C -2.394 174.175 177.584 -1.692 0.000 1.048 61 A CA -0.539 50.809 52.037 -1.148 0.000 0.708 61 A CB 0.775 19.357 19.000 -0.697 0.000 1.274 61 A HN 0.961 nan 8.150 nan 0.000 0.410 62 W N 2.504 122.884 121.300 -1.532 0.000 2.496 62 W HA 0.752 5.420 4.660 0.013 0.000 0.327 62 W C -1.794 174.022 176.519 -1.171 0.000 1.086 62 W CA -0.399 56.199 57.345 -1.245 0.000 1.222 62 W CB 1.064 30.058 29.460 -0.776 0.000 1.304 62 W HN 0.502 nan 8.180 nan 0.000 0.547 63 F N 5.934 125.201 119.950 -1.139 0.000 2.588 63 F HA 0.364 4.899 4.527 0.013 0.000 0.314 63 F C -1.263 173.659 175.800 -1.465 0.000 1.069 63 F CA -2.135 55.310 58.000 -0.924 0.000 0.931 63 F CB 1.907 40.521 39.000 -0.644 0.000 1.260 63 F HN 0.213 nan 8.300 nan 0.000 0.465 64 P HA 0.070 nan 4.420 nan 0.000 0.225 64 P C -0.289 176.875 177.300 -0.227 0.000 1.156 64 P CA 0.965 63.819 63.100 -0.409 0.000 0.787 64 P CB 0.659 32.380 31.700 0.035 0.000 0.802 65 A N -0.944 121.758 122.820 -0.197 0.000 2.601 65 A HA 0.535 4.864 4.320 0.014 0.000 0.291 65 A C -2.423 175.051 177.584 -0.184 0.000 1.075 65 A CA -1.050 50.914 52.037 -0.121 0.000 0.671 65 A CB 0.503 19.497 19.000 -0.012 0.000 1.277 65 A HN -0.285 nan 8.150 nan 0.000 0.417 66 P HA -0.085 nan 4.420 nan 0.000 0.218 66 P C 0.681 177.894 177.300 -0.145 0.000 1.149 66 P CA 1.425 64.398 63.100 -0.211 0.000 0.817 66 P CB 0.213 31.772 31.700 -0.234 0.000 0.785 67 E N 0.257 120.430 120.200 -0.045 0.000 2.265 67 E HA -0.078 4.280 4.350 0.014 0.000 0.196 67 E C 1.990 178.517 176.600 -0.122 0.000 0.996 67 E CA 1.267 57.645 56.400 -0.036 0.000 0.832 67 E CB -1.007 28.706 29.700 0.020 0.000 0.756 67 E HN 0.256 nan 8.360 nan 0.000 0.491 68 A N 0.321 123.026 122.820 -0.192 0.000 2.218 68 A HA 0.100 4.428 4.320 0.014 0.000 0.209 68 A C 0.706 177.934 177.584 -0.594 0.000 1.168 68 A CA -0.147 51.748 52.037 -0.236 0.000 0.804 68 A CB 0.266 19.222 19.000 -0.073 0.000 0.834 68 A HN 0.046 nan 8.150 nan 0.000 0.482 69 V N 3.068 122.519 119.914 -0.772 0.000 2.470 69 V HA 0.181 4.309 4.120 0.014 0.000 0.276 69 V C -2.211 173.551 176.094 -0.554 0.000 1.040 69 V CA -1.398 60.235 62.300 -1.112 0.000 1.008 69 V CB 0.564 31.836 31.823 -0.918 0.000 0.990 69 V HN 0.292 nan 8.190 nan 0.000 0.477 70 P HA 0.221 nan 4.420 nan 0.000 0.276 70 P C 0.380 177.630 177.300 -0.083 0.000 1.230 70 P CA -0.302 62.694 63.100 -0.173 0.000 0.776 70 P CB 1.079 32.733 31.700 -0.077 0.000 0.888 71 E N 1.246 121.405 120.200 -0.069 0.000 2.265 71 E HA -0.165 4.193 4.350 0.014 0.000 0.196 71 E C 1.868 178.438 176.600 -0.051 0.000 0.996 71 E CA 1.556 57.919 56.400 -0.063 0.000 0.832 71 E CB -0.568 29.094 29.700 -0.063 0.000 0.756 71 E HN 0.542 nan 8.360 nan 0.000 0.491 72 S N -0.615 115.076 115.700 -0.015 0.000 2.419 72 S HA -0.206 4.272 4.470 0.014 0.000 0.233 72 S C 1.855 176.459 174.600 0.006 0.000 1.016 72 S CA 0.845 59.041 58.200 -0.007 0.000 0.974 72 S CB -0.680 62.530 63.200 0.016 0.000 0.786 72 S HN 0.565 nan 8.310 nan 0.000 0.492 73 W N 2.274 123.483 121.300 -0.152 0.000 2.364 73 W HA 0.001 4.669 4.660 0.013 0.000 0.281 73 W C 1.634 178.045 176.519 -0.180 0.000 1.219 73 W CA 1.001 58.257 57.345 -0.149 0.000 1.220 73 W CB -0.381 28.969 29.460 -0.183 0.000 1.127 73 W HN 0.288 nan 8.180 nan 0.000 0.556 74 L N 0.135 121.091 121.223 -0.446 0.000 2.083 74 L HA -0.173 4.175 4.340 0.014 0.000 0.209 74 L C 2.299 178.927 176.870 -0.402 0.000 1.083 74 L CA 1.965 56.413 54.840 -0.654 0.000 0.752 74 L CB -0.760 40.958 42.059 -0.568 0.000 0.899 74 L HN -0.013 nan 8.230 nan 0.000 0.433 75 E N -1.002 119.056 120.200 -0.236 0.000 2.166 75 E HA -0.025 4.333 4.350 0.014 0.000 0.192 75 E C 0.285 176.813 176.600 -0.119 0.000 0.967 75 E CA 0.396 56.712 56.400 -0.139 0.000 0.840 75 E CB 0.566 30.219 29.700 -0.079 0.000 0.795 75 E HN 0.565 nan 8.360 nan 0.000 0.470 76 C N -0.799 118.436 119.300 -0.108 0.000 3.173 76 C HA 0.552 5.020 4.460 0.014 0.000 0.310 76 C C -0.408 174.571 174.990 -0.017 0.000 1.306 76 C CA -1.669 57.312 59.018 -0.062 0.000 1.426 76 C CB 0.785 28.508 27.740 -0.028 0.000 1.800 76 C HN 0.238 nan 8.230 nan 0.000 0.470 77 D N 0.801 121.208 120.400 0.011 0.000 2.571 77 D HA 0.220 4.868 4.640 0.014 0.000 0.231 77 D C -0.140 176.231 176.300 0.119 0.000 1.133 77 D CA 0.445 54.496 54.000 0.085 0.000 0.862 77 D CB 0.519 41.360 40.800 0.069 0.000 1.179 77 D HN 0.600 nan 8.370 nan 0.000 0.474 78 L N 5.858 127.194 121.223 0.187 0.000 2.360 78 L HA 0.220 4.568 4.340 0.014 0.000 0.276 78 L C -1.106 175.818 176.870 0.091 0.000 1.121 78 L CA -1.464 53.463 54.840 0.146 0.000 0.845 78 L CB 1.145 43.297 42.059 0.155 0.000 1.143 78 L HN 0.550 nan 8.230 nan 0.000 0.452 79 P HA -0.124 nan 4.420 nan 0.000 0.221 79 P C 0.654 177.977 177.300 0.039 0.000 1.150 79 P CA 0.994 64.122 63.100 0.047 0.000 0.800 79 P CB 0.275 31.996 31.700 0.036 0.000 0.787 80 E N 0.058 120.277 120.200 0.031 0.000 2.427 80 E HA 0.142 4.500 4.350 0.014 0.000 0.196 80 E C 1.145 177.743 176.600 -0.003 0.000 1.028 80 E CA 0.144 56.548 56.400 0.008 0.000 0.864 80 E CB -0.770 28.919 29.700 -0.019 0.000 0.813 80 E HN 0.236 nan 8.360 nan 0.000 0.514 81 A N 1.120 123.947 122.820 0.012 0.000 2.386 81 A HA 0.181 4.509 4.320 0.014 0.000 0.246 81 A C -0.020 177.603 177.584 0.066 0.000 1.089 81 A CA -0.275 51.765 52.037 0.005 0.000 0.790 81 A CB 0.337 19.368 19.000 0.051 0.000 1.042 81 A HN -0.051 nan 8.150 nan 0.000 0.497 82 D N -0.482 119.986 120.400 0.114 0.000 2.340 82 D HA 0.513 5.161 4.640 0.014 0.000 0.243 82 D C -0.645 175.765 176.300 0.183 0.000 0.988 82 D CA 0.014 54.107 54.000 0.155 0.000 0.959 82 D CB 1.430 42.377 40.800 0.245 0.000 1.226 82 D HN 0.379 nan 8.370 nan 0.000 0.509 83 T N 0.587 115.231 114.554 0.151 0.000 2.744 83 T HA 0.495 4.853 4.350 0.014 0.000 0.291 83 T C 0.079 174.866 174.700 0.145 0.000 0.957 83 T CA -0.536 61.662 62.100 0.162 0.000 1.002 83 T CB 0.566 69.505 68.868 0.118 0.000 0.919 83 T HN 0.258 nan 8.240 nan 0.000 0.468 84 V N 1.510 121.542 119.914 0.197 0.000 3.040 84 V HA 0.796 4.924 4.120 0.014 0.000 0.312 84 V C -0.301 175.917 176.094 0.207 0.000 1.115 84 V CA -1.029 61.348 62.300 0.128 0.000 0.998 84 V CB 1.719 33.607 31.823 0.109 0.000 1.042 84 V HN 0.510 nan 8.190 nan 0.000 0.433 85 V N 2.492 122.502 119.914 0.161 0.000 2.649 85 V HA 0.495 4.623 4.120 0.014 0.000 0.292 85 V C 0.113 176.300 176.094 0.155 0.000 1.055 85 V CA -0.053 62.349 62.300 0.169 0.000 1.023 85 V CB 1.367 33.254 31.823 0.107 0.000 0.992 85 V HN 0.766 nan 8.190 nan 0.000 0.480 86 V N 6.769 126.710 119.914 0.044 0.000 2.656 86 V HA 0.463 4.591 4.120 0.014 0.000 0.307 86 V C -2.307 173.699 176.094 -0.146 0.000 1.051 86 V CA -1.797 60.391 62.300 -0.186 0.000 0.893 86 V CB 2.551 33.945 31.823 -0.715 0.000 0.999 86 V HN 0.766 nan 8.190 nan 0.000 0.426 87 P HA 0.413 nan 4.420 nan 0.000 0.274 87 P C -0.871 176.352 177.300 -0.128 0.000 1.231 87 P CA -0.069 62.916 63.100 -0.192 0.000 0.790 87 P CB 1.140 32.735 31.700 -0.176 0.000 0.951 88 S N 0.415 116.043 115.700 -0.121 0.000 2.595 88 S HA 0.411 4.889 4.470 0.014 0.000 0.270 88 S C -1.238 173.268 174.600 -0.156 0.000 1.145 88 S CA -1.039 57.065 58.200 -0.160 0.000 0.825 88 S CB 0.505 63.558 63.200 -0.245 0.000 1.107 88 S HN 0.318 nan 8.310 nan 0.000 0.461 89 N N 0.931 119.482 118.700 -0.248 0.000 2.421 89 N HA 0.435 5.184 4.740 0.014 0.000 0.285 89 N C 0.626 175.960 175.510 -0.294 0.000 1.027 89 N CA -0.780 52.104 53.050 -0.277 0.000 0.918 89 N CB 0.667 38.963 38.487 -0.320 0.000 1.152 89 N HN 0.864 nan 8.380 nan 0.000 0.485 90 W N 2.450 123.628 121.300 -0.204 0.000 2.392 90 W HA -0.091 4.577 4.660 0.014 0.000 0.279 90 W C 1.016 177.522 176.519 -0.023 0.000 1.225 90 W CA 0.755 57.992 57.345 -0.179 0.000 1.233 90 W CB -0.387 28.975 29.460 -0.163 0.000 1.122 90 W HN 0.514 nan 8.180 nan 0.000 0.561 91 Q N 0.526 120.305 119.800 -0.035 0.000 2.226 91 Q HA -0.117 4.231 4.340 0.014 0.000 0.204 91 Q C 2.140 178.093 176.000 -0.079 0.000 0.975 91 Q CA 1.832 57.616 55.803 -0.031 0.000 0.866 91 Q CB -0.585 28.011 28.738 -0.237 0.000 0.915 91 Q HN 0.290 nan 8.270 nan 0.000 0.440 92 M N -0.948 118.561 119.600 -0.152 0.000 2.557 92 M HA -0.039 4.449 4.480 0.014 0.000 0.259 92 M C 0.651 176.996 176.300 0.075 0.000 1.086 92 M CA 1.304 56.536 55.300 -0.114 0.000 1.096 92 M CB -0.520 31.989 32.600 -0.152 0.000 1.424 92 M HN 0.373 nan 8.290 nan 0.000 0.488 93 H N -0.754 118.343 119.070 0.047 0.000 2.586 93 H HA 0.275 4.839 4.556 0.014 0.000 0.273 93 H C 1.189 176.436 175.328 -0.135 0.000 0.997 93 H CA 0.099 56.161 56.048 0.023 0.000 1.177 93 H CB 0.469 30.357 29.762 0.210 0.000 1.471 93 H HN 0.552 nan 8.280 nan 0.000 0.538 94 G N 0.636 109.457 108.800 0.036 0.000 2.136 94 G HA2 -0.363 3.605 3.960 0.014 0.000 0.242 94 G HA3 -0.363 3.605 3.960 0.014 0.000 0.242 94 G C 0.323 175.091 174.900 -0.221 0.000 0.989 94 G CA 0.382 45.423 45.100 -0.098 0.000 0.682 94 G HN 0.481 nan 8.290 nan 0.000 0.522 95 Y N 1.365 121.675 120.300 0.018 0.000 2.314 95 Y HA 0.277 4.835 4.550 0.014 0.000 0.293 95 Y C 1.650 177.296 175.900 -0.422 0.000 1.129 95 Y CA 1.477 59.453 58.100 -0.207 0.000 1.201 95 Y CB 0.286 38.683 38.460 -0.105 0.000 0.999 95 Y HN 0.645 nan 8.280 nan 0.000 0.541 96 D N -1.834 118.618 120.400 0.087 0.000 2.692 96 D HA 0.491 5.139 4.640 0.014 0.000 0.303 96 D C -1.211 175.170 176.300 0.136 0.000 1.278 96 D CA -0.906 53.150 54.000 0.092 0.000 0.852 96 D CB 0.764 41.736 40.800 0.287 0.000 1.375 96 D HN -0.066 nan 8.370 nan 0.000 0.453 97 A N 0.074 122.986 122.820 0.155 0.000 2.310 97 A HA 0.693 5.021 4.320 0.014 0.000 0.299 97 A C -2.324 175.290 177.584 0.050 0.000 1.147 97 A CA -1.213 50.894 52.037 0.117 0.000 0.818 97 A CB 0.154 19.286 19.000 0.220 0.000 1.096 97 A HN 0.542 nan 8.150 nan 0.000 0.495 98 P HA 0.410 nan 4.420 nan 0.000 0.278 98 P C -0.898 176.546 177.300 0.241 0.000 1.238 98 P CA 0.096 63.122 63.100 -0.124 0.000 0.794 98 P CB 0.821 32.163 31.700 -0.595 0.000 0.955 99 I N 2.792 123.607 120.570 0.409 0.000 2.433 99 I HA 0.236 4.414 4.170 0.014 0.000 0.292 99 I C -0.416 175.918 176.117 0.360 0.000 1.001 99 I CA -0.993 60.560 61.300 0.422 0.000 1.119 99 I CB 1.521 39.702 38.000 0.302 0.000 1.289 99 I HN 0.300 nan 8.210 nan 0.000 0.438 100 Y N 6.391 126.669 120.300 -0.037 0.000 2.593 100 Y HA 0.471 5.029 4.550 0.013 0.000 0.331 100 Y C -0.216 175.543 175.900 -0.235 0.000 0.986 100 Y CA -0.450 57.334 58.100 -0.528 0.000 1.262 100 Y CB 0.935 38.521 38.460 -1.457 0.000 1.098 100 Y HN 0.529 nan 8.280 nan 0.000 0.506 101 T N 4.757 118.803 114.554 -0.846 0.000 2.893 101 T HA 0.274 4.632 4.350 0.014 0.000 0.291 101 T C 0.232 174.499 174.700 -0.722 0.000 1.028 101 T CA -0.569 61.079 62.100 -0.753 0.000 0.995 101 T CB 1.194 69.853 68.868 -0.348 0.000 1.051 101 T HN 0.745 nan 8.240 nan 0.000 0.470 102 N N 2.501 120.849 118.700 -0.585 0.000 2.358 102 N HA 0.079 4.828 4.740 0.014 0.000 0.209 102 N C 1.546 176.847 175.510 -0.348 0.000 1.033 102 N CA 1.428 54.295 53.050 -0.305 0.000 1.021 102 N CB -0.661 37.693 38.487 -0.222 0.000 1.244 102 N HN 0.369 nan 8.380 nan 0.000 0.523 103 V N 0.397 120.024 119.914 -0.478 0.000 2.436 103 V HA 0.113 4.241 4.120 0.014 0.000 0.240 103 V C 0.361 176.161 176.094 -0.490 0.000 1.040 103 V CA 0.933 62.859 62.300 -0.624 0.000 1.052 103 V CB -0.728 30.619 31.823 -0.793 0.000 0.707 103 V HN 0.352 nan 8.190 nan 0.000 0.469 104 T N 1.175 115.508 114.554 -0.369 0.000 2.871 104 T HA 0.101 4.459 4.350 0.014 0.000 0.296 104 T C -0.299 174.272 174.700 -0.216 0.000 0.998 104 T CA 0.303 62.256 62.100 -0.245 0.000 1.162 104 T CB -0.298 68.458 68.868 -0.187 0.000 0.947 104 T HN 0.179 nan 8.240 nan 0.000 0.536 105 Y N 4.768 124.979 120.300 -0.147 0.000 2.652 105 Y HA 0.102 4.660 4.550 0.013 0.000 0.344 105 Y C -0.790 174.990 175.900 -0.200 0.000 1.254 105 Y CA -1.529 56.473 58.100 -0.163 0.000 1.480 105 Y CB 0.388 38.745 38.460 -0.171 0.000 1.345 105 Y HN 0.505 nan 8.280 nan 0.000 0.617 106 P HA 0.051 nan 4.420 nan 0.000 0.249 106 P C -0.476 176.604 177.300 -0.366 0.000 1.229 106 P CA 0.931 63.923 63.100 -0.180 0.000 0.788 106 P CB -0.007 31.615 31.700 -0.129 0.000 1.072 107 I N -5.431 114.914 120.570 -0.375 0.000 3.042 107 I HA 0.504 4.682 4.170 0.014 0.000 0.310 107 I C -0.591 175.400 176.117 -0.209 0.000 1.117 107 I CA -1.235 59.811 61.300 -0.423 0.000 1.003 107 I CB 1.725 39.323 38.000 -0.671 0.000 1.228 107 I HN -0.472 nan 8.210 nan 0.000 0.443 108 T N 2.845 117.316 114.554 -0.139 0.000 2.908 108 T HA 0.128 4.486 4.350 0.014 0.000 0.301 108 T C 0.197 174.886 174.700 -0.017 0.000 1.019 108 T CA -0.156 61.916 62.100 -0.047 0.000 1.152 108 T CB 0.420 69.283 68.868 -0.007 0.000 0.966 108 T HN 0.379 nan 8.240 nan 0.000 0.540 109 V N 5.103 125.022 119.914 0.009 0.000 2.370 109 V HA 0.226 4.355 4.120 0.014 0.000 0.257 109 V C 0.720 176.868 176.094 0.090 0.000 1.064 109 V CA -0.187 62.136 62.300 0.040 0.000 0.975 109 V CB -0.209 31.622 31.823 0.015 0.000 1.067 109 V HN 0.870 nan 8.190 nan 0.000 0.485 110 N N 5.899 124.714 118.700 0.192 0.000 2.666 110 N HA 0.237 4.985 4.740 0.014 0.000 0.253 110 N C -2.873 172.716 175.510 0.131 0.000 1.621 110 N CA -1.217 51.932 53.050 0.164 0.000 0.785 110 N CB 1.373 39.992 38.487 0.221 0.000 1.332 110 N HN 0.286 nan 8.380 nan 0.000 0.514 111 P HA 0.147 nan 4.420 nan 0.000 0.265 111 P C -2.215 174.851 177.300 -0.389 0.000 1.187 111 P CA -0.585 62.090 63.100 -0.707 0.000 0.766 111 P CB 0.579 31.757 31.700 -0.869 0.000 0.820 112 P HA 0.207 nan 4.420 nan 0.000 0.263 112 P C -0.322 176.824 177.300 -0.257 0.000 1.448 112 P CA -0.308 62.550 63.100 -0.403 0.000 0.983 112 P CB 0.005 31.458 31.700 -0.412 0.000 1.481 113 F N 1.083 121.140 119.950 0.178 0.000 2.406 113 F HA 0.298 4.833 4.527 0.014 0.000 0.327 113 F C 1.406 177.383 175.800 0.295 0.000 1.153 113 F CA -0.578 57.543 58.000 0.201 0.000 1.218 113 F CB 0.553 39.618 39.000 0.109 0.000 1.215 113 F HN -0.199 nan 8.300 nan 0.000 0.570 114 V N -1.293 118.897 119.914 0.459 0.000 3.141 114 V HA 0.692 4.820 4.120 0.014 0.000 0.312 114 V C -2.834 173.429 176.094 0.283 0.000 1.157 114 V CA -2.921 59.574 62.300 0.326 0.000 1.041 114 V CB 1.482 33.545 31.823 0.400 0.000 1.071 114 V HN 0.472 nan 8.190 nan 0.000 0.441 115 P HA 0.190 nan 4.420 nan 0.000 0.266 115 P C 1.050 178.492 177.300 0.237 0.000 1.195 115 P CA 0.582 63.780 63.100 0.162 0.000 0.768 115 P CB 0.587 32.349 31.700 0.103 0.000 0.838 116 T N -1.551 113.113 114.554 0.184 0.000 2.995 116 T HA -0.079 4.279 4.350 0.014 0.000 0.269 116 T C 0.517 175.328 174.700 0.184 0.000 1.091 116 T CA 0.792 63.008 62.100 0.193 0.000 1.128 116 T CB -0.483 68.468 68.868 0.138 0.000 0.891 116 T HN 0.381 nan 8.240 nan 0.000 0.492 117 E N 2.392 122.700 120.200 0.179 0.000 1.941 117 E HA 0.282 4.641 4.350 0.014 0.000 0.275 117 E C -0.807 175.947 176.600 0.257 0.000 1.113 117 E CA -0.410 56.099 56.400 0.182 0.000 0.878 117 E CB 0.238 30.050 29.700 0.186 0.000 1.070 117 E HN 0.221 nan 8.360 nan 0.000 0.399 118 N N 4.548 123.370 118.700 0.202 0.000 2.573 118 N HA 0.250 4.998 4.740 0.014 0.000 0.262 118 N C -2.867 172.660 175.510 0.028 0.000 1.029 118 N CA -2.475 50.722 53.050 0.245 0.000 0.882 118 N CB 1.177 39.792 38.487 0.213 0.000 1.204 118 N HN 0.061 nan 8.380 nan 0.000 0.519 119 P HA 0.027 nan 4.420 nan 0.000 0.260 119 P C -0.800 176.374 177.300 -0.211 0.000 1.172 119 P CA 0.495 63.501 63.100 -0.156 0.000 0.760 119 P CB 0.439 32.361 31.700 0.371 0.000 0.773 120 T N 2.634 116.797 114.554 -0.652 0.000 2.824 120 T HA 0.590 4.949 4.350 0.014 0.000 0.282 120 T C 0.209 174.360 174.700 -0.916 0.000 0.993 120 T CA -0.571 61.213 62.100 -0.526 0.000 0.967 120 T CB 1.661 70.281 68.868 -0.414 0.000 0.960 120 T HN 0.334 nan 8.240 nan 0.000 0.441 121 G N 0.963 109.321 108.800 -0.736 0.000 2.437 121 G HA2 0.487 4.455 3.960 0.014 0.000 0.315 121 G HA3 0.487 4.455 3.960 0.014 0.000 0.315 121 G C -0.347 174.324 174.900 -0.382 0.000 1.210 121 G CA -0.359 44.252 45.100 -0.815 0.000 0.943 121 G HN 0.873 nan 8.290 nan 0.000 0.471 122 C N 3.251 122.085 119.300 -0.777 0.000 2.223 122 C HA 0.490 4.958 4.460 0.014 0.000 0.324 122 C C -0.539 174.409 174.990 -0.070 0.000 1.196 122 C CA -0.866 57.818 59.018 -0.556 0.000 1.628 122 C CB -1.671 25.293 27.740 -1.293 0.000 2.229 122 C HN 0.638 nan 8.230 nan 0.000 0.486 123 Y N 2.008 122.595 120.300 0.478 0.000 2.420 123 Y HA 0.657 5.215 4.550 0.014 0.000 0.334 123 Y C 0.757 177.141 175.900 0.806 0.000 1.094 123 Y CA -0.074 58.418 58.100 0.654 0.000 1.126 123 Y CB 1.669 40.458 38.460 0.549 0.000 1.217 123 Y HN 0.687 nan 8.280 nan 0.000 0.462 124 S N 2.258 118.507 115.700 0.916 0.000 2.596 124 S HA 0.849 5.327 4.470 0.014 0.000 0.270 124 S C -1.979 172.719 174.600 0.163 0.000 1.155 124 S CA -0.794 57.726 58.200 0.533 0.000 0.827 124 S CB 2.236 65.626 63.200 0.316 0.000 1.130 124 S HN 0.636 nan 8.310 nan 0.000 0.467 125 L N 0.536 121.680 121.223 -0.131 0.000 2.549 125 L HA 0.683 5.031 4.340 0.014 0.000 0.259 125 L C -1.123 175.675 176.870 -0.120 0.000 0.934 125 L CA 0.130 54.726 54.840 -0.406 0.000 0.865 125 L CB 2.198 43.482 42.059 -1.292 0.000 1.352 125 L HN 0.932 nan 8.230 nan 0.000 0.410 126 T N 4.982 119.488 114.554 -0.079 0.000 2.795 126 T HA 0.774 5.132 4.350 0.014 0.000 0.282 126 T C -0.816 173.912 174.700 0.047 0.000 0.980 126 T CA 0.044 62.135 62.100 -0.016 0.000 1.012 126 T CB 0.421 69.258 68.868 -0.051 0.000 0.936 126 T HN 0.479 nan 8.240 nan 0.000 0.457 127 F N 1.204 121.080 119.950 -0.122 0.000 2.711 127 F HA 0.799 5.335 4.527 0.014 0.000 0.313 127 F C -1.042 174.709 175.800 -0.083 0.000 1.141 127 F CA -1.442 56.490 58.000 -0.113 0.000 0.941 127 F CB 1.348 40.275 39.000 -0.123 0.000 1.349 127 F HN 0.526 nan 8.300 nan 0.000 0.464 128 N N -0.083 118.545 118.700 -0.121 0.000 2.697 128 N HA 0.737 5.485 4.740 0.014 0.000 0.272 128 N C -1.515 173.950 175.510 -0.075 0.000 1.381 128 N CA -0.601 52.306 53.050 -0.239 0.000 0.797 128 N CB 2.147 40.508 38.487 -0.210 0.000 1.523 128 N HN 0.915 nan 8.380 nan 0.000 0.518 129 V N -3.955 115.876 119.914 -0.138 0.000 3.102 129 V HA 0.571 4.699 4.120 0.014 0.000 0.312 129 V C -0.405 175.473 176.094 -0.359 0.000 1.135 129 V CA -1.054 61.096 62.300 -0.249 0.000 1.022 129 V CB 1.778 33.570 31.823 -0.052 0.000 1.056 129 V HN 0.863 nan 8.190 nan 0.000 0.436 130 D N 1.069 121.059 120.400 -0.683 0.000 2.472 130 D HA -0.053 4.595 4.640 0.014 0.000 0.237 130 D C 0.986 177.121 176.300 -0.275 0.000 1.141 130 D CA 0.590 54.278 54.000 -0.519 0.000 0.875 130 D CB 1.712 42.053 40.800 -0.764 0.000 1.192 130 D HN 0.925 nan 8.370 nan 0.000 0.450 131 E N 2.160 122.274 120.200 -0.144 0.000 2.097 131 E HA -0.236 4.122 4.350 0.014 0.000 0.196 131 E C 1.836 178.444 176.600 0.013 0.000 1.000 131 E CA 2.218 58.587 56.400 -0.051 0.000 0.804 131 E CB -0.408 29.271 29.700 -0.036 0.000 0.740 131 E HN 0.465 nan 8.360 nan 0.000 0.454 132 S N -0.885 114.834 115.700 0.031 0.000 2.419 132 S HA -0.152 4.327 4.470 0.014 0.000 0.233 132 S C 1.676 176.403 174.600 0.212 0.000 1.016 132 S CA 1.022 59.302 58.200 0.133 0.000 0.974 132 S CB -0.815 62.486 63.200 0.170 0.000 0.786 132 S HN 0.418 nan 8.310 nan 0.000 0.492 133 W N 1.530 122.686 121.300 -0.239 0.000 2.584 133 W HA 0.383 5.052 4.660 0.014 0.000 0.264 133 W C 1.900 178.373 176.519 -0.078 0.000 1.264 133 W CA -0.563 56.566 57.345 -0.360 0.000 1.306 133 W CB -0.908 28.312 29.460 -0.399 0.000 1.110 133 W HN 0.329 nan 8.180 nan 0.000 0.606 134 L N -0.305 121.026 121.223 0.180 0.000 2.341 134 L HA -0.081 4.267 4.340 0.014 0.000 0.214 134 L C 2.337 179.273 176.870 0.110 0.000 1.115 134 L CA 0.833 55.749 54.840 0.127 0.000 0.820 134 L CB -0.644 41.456 42.059 0.068 0.000 0.944 134 L HN -0.021 nan 8.230 nan 0.000 0.452 135 Q N -0.250 119.618 119.800 0.114 0.000 2.016 135 Q HA -0.003 4.345 4.340 0.014 0.000 0.200 135 Q C 0.230 176.297 176.000 0.111 0.000 0.978 135 Q CA 0.975 56.837 55.803 0.098 0.000 0.833 135 Q CB 0.366 29.158 28.738 0.090 0.000 0.895 135 Q HN 0.356 nan 8.270 nan 0.000 0.427 136 E N -2.081 118.214 120.200 0.158 0.000 2.447 136 E HA 0.478 4.836 4.350 0.014 0.000 0.279 136 E C -0.644 176.095 176.600 0.232 0.000 1.053 136 E CA 0.087 56.576 56.400 0.148 0.000 0.840 136 E CB 1.764 31.533 29.700 0.116 0.000 1.409 136 E HN 0.274 nan 8.360 nan 0.000 0.461 137 G N 0.953 109.813 108.800 0.101 0.000 2.756 137 G HA2 -0.200 3.768 3.960 0.014 0.000 0.678 137 G HA3 -0.200 3.768 3.960 0.014 0.000 0.678 137 G C -0.798 174.084 174.900 -0.030 0.000 1.349 137 G CA -0.262 44.811 45.100 -0.044 0.000 0.847 137 G HN 0.417 nan 8.290 nan 0.000 0.548 138 Q N -0.092 119.585 119.800 -0.204 0.000 2.325 138 Q HA 0.609 4.957 4.340 0.014 0.000 0.262 138 Q C -0.668 175.281 176.000 -0.086 0.000 0.968 138 Q CA -0.418 55.332 55.803 -0.088 0.000 0.877 138 Q CB 1.024 29.699 28.738 -0.104 0.000 1.253 138 Q HN 0.571 nan 8.270 nan 0.000 0.448 139 T N 5.566 120.156 114.554 0.060 0.000 2.770 139 T HA 0.417 4.775 4.350 0.014 0.000 0.297 139 T C -0.466 174.288 174.700 0.090 0.000 0.997 139 T CA -0.605 61.533 62.100 0.065 0.000 0.949 139 T CB 0.410 69.404 68.868 0.211 0.000 0.941 139 T HN 0.620 nan 8.240 nan 0.000 0.457 140 R N 2.991 123.514 120.500 0.040 0.000 2.873 140 R HA 0.793 5.141 4.340 0.014 0.000 0.264 140 R C -1.022 175.317 176.300 0.064 0.000 1.026 140 R CA -0.998 55.146 56.100 0.073 0.000 1.002 140 R CB 1.502 31.832 30.300 0.050 0.000 1.174 140 R HN 0.548 nan 8.270 nan 0.000 0.488 141 I N 2.043 122.667 120.570 0.091 0.000 2.493 141 I HA 0.449 4.627 4.170 0.014 0.000 0.298 141 I C -1.126 174.998 176.117 0.011 0.000 0.998 141 I CA -1.320 59.981 61.300 0.000 0.000 1.137 141 I CB 1.523 39.520 38.000 -0.005 0.000 1.310 141 I HN 0.614 nan 8.210 nan 0.000 0.445 142 I N 7.327 127.804 120.570 -0.154 0.000 2.418 142 I HA 0.291 4.470 4.170 0.014 0.000 0.287 142 I C -1.286 174.652 176.117 -0.299 0.000 1.008 142 I CA -0.418 60.815 61.300 -0.112 0.000 1.104 142 I CB 1.450 39.397 38.000 -0.088 0.000 1.264 142 I HN 0.408 nan 8.210 nan 0.000 0.438 143 F N 4.582 124.523 119.950 -0.015 0.000 2.313 143 F HA 0.262 4.797 4.527 0.013 0.000 0.369 143 F C 1.352 177.051 175.800 -0.167 0.000 1.109 143 F CA -0.474 57.451 58.000 -0.124 0.000 1.132 143 F CB 0.686 39.582 39.000 -0.173 0.000 1.291 143 F HN 0.457 nan 8.300 nan 0.000 0.496 144 D N 2.376 122.694 120.400 -0.135 0.000 2.264 144 D HA 0.024 4.672 4.640 0.014 0.000 0.208 144 D C 1.011 177.148 176.300 -0.272 0.000 0.966 144 D CA 0.929 54.800 54.000 -0.215 0.000 0.864 144 D CB 0.386 40.992 40.800 -0.324 0.000 0.933 144 D HN 0.635 nan 8.370 nan 0.000 0.499 145 G N -0.372 108.219 108.800 -0.348 0.000 2.505 145 G HA2 0.422 4.390 3.960 0.014 0.000 0.292 145 G HA3 0.422 4.390 3.960 0.014 0.000 0.292 145 G C -1.486 173.204 174.900 -0.351 0.000 1.332 145 G CA -0.429 44.382 45.100 -0.482 0.000 1.286 145 G HN -0.048 nan 8.290 nan 0.000 0.606 146 V N 2.575 122.469 119.914 -0.035 0.000 2.577 146 V HA 0.545 4.673 4.120 0.014 0.000 0.303 146 V C -0.845 175.327 176.094 0.130 0.000 1.042 146 V CA -1.151 61.118 62.300 -0.053 0.000 0.872 146 V CB 2.023 33.596 31.823 -0.416 0.000 0.998 146 V HN 0.720 nan 8.190 nan 0.000 0.423 147 N N 2.436 121.193 118.700 0.095 0.000 2.446 147 N HA 0.311 5.059 4.740 0.014 0.000 0.265 147 N C 0.651 176.084 175.510 -0.128 0.000 0.975 147 N CA 0.198 53.220 53.050 -0.046 0.000 0.928 147 N CB 2.199 40.512 38.487 -0.290 0.000 1.160 147 N HN 0.666 nan 8.380 nan 0.000 0.495 148 S N 2.178 117.840 115.700 -0.063 0.000 2.506 148 S HA 0.548 5.026 4.470 0.014 0.000 0.219 148 S C 0.384 175.037 174.600 0.087 0.000 1.031 148 S CA 0.228 58.443 58.200 0.026 0.000 0.911 148 S CB 0.273 63.505 63.200 0.054 0.000 0.812 148 S HN 0.686 nan 8.310 nan 0.000 0.497 149 A N 0.632 123.512 122.820 0.101 0.000 2.612 149 A HA 0.752 5.081 4.320 0.014 0.000 0.293 149 A C -1.282 176.374 177.584 0.120 0.000 1.075 149 A CA -0.970 51.089 52.037 0.037 0.000 0.680 149 A CB 0.753 19.813 19.000 0.101 0.000 1.279 149 A HN 1.088 nan 8.150 nan 0.000 0.411 150 F N -0.786 118.947 119.950 -0.362 0.000 2.741 150 F HA 0.750 5.285 4.527 0.013 0.000 0.311 150 F C -1.094 174.575 175.800 -0.218 0.000 1.149 150 F CA -0.849 57.046 58.000 -0.175 0.000 0.930 150 F CB 1.125 40.014 39.000 -0.184 0.000 1.312 150 F HN 0.628 nan 8.300 nan 0.000 0.450 151 H N 1.627 120.853 119.070 0.260 0.000 2.529 151 H HA 0.723 5.287 4.556 0.014 0.000 0.348 151 H C -1.461 173.827 175.328 -0.067 0.000 1.152 151 H CA -0.714 55.350 56.048 0.027 0.000 1.202 151 H CB 2.494 32.265 29.762 0.014 0.000 1.562 151 H HN 0.755 nan 8.280 nan 0.000 0.515 152 L N 2.788 123.783 121.223 -0.380 0.000 2.386 152 L HA 0.426 4.775 4.340 0.014 0.000 0.271 152 L C -1.637 174.925 176.870 -0.512 0.000 0.993 152 L CA -0.541 54.144 54.840 -0.259 0.000 0.819 152 L CB 1.552 43.330 42.059 -0.469 0.000 1.294 152 L HN 0.526 nan 8.230 nan 0.000 0.414 153 W N 4.135 125.398 121.300 -0.063 0.000 2.844 153 W HA 0.611 5.280 4.660 0.014 0.000 0.340 153 W C -1.197 175.261 176.519 -0.102 0.000 1.093 153 W CA -0.807 56.484 57.345 -0.091 0.000 1.212 153 W CB 2.065 31.512 29.460 -0.022 0.000 1.422 153 W HN 0.620 nan 8.180 nan 0.000 0.515 154 C N 4.309 123.680 119.300 0.119 0.000 2.431 154 C HA 0.303 4.771 4.460 0.014 0.000 0.321 154 C C 0.171 175.293 174.990 0.221 0.000 1.202 154 C CA -0.399 58.701 59.018 0.138 0.000 1.398 154 C CB -0.347 27.413 27.740 0.032 0.000 2.047 154 C HN 0.800 nan 8.230 nan 0.000 0.465 155 N N 3.697 122.488 118.700 0.152 0.000 2.714 155 N HA -0.194 4.554 4.740 0.014 0.000 0.252 155 N C 1.011 176.593 175.510 0.120 0.000 1.014 155 N CA 1.898 55.010 53.050 0.103 0.000 0.735 155 N CB -1.274 37.279 38.487 0.111 0.000 0.924 155 N HN 1.839 nan 8.380 nan 0.000 0.540 156 G N -1.101 107.756 108.800 0.095 0.000 2.184 156 G HA2 -0.380 3.588 3.960 0.014 0.000 0.264 156 G HA3 -0.380 3.588 3.960 0.014 0.000 0.264 156 G C 0.127 175.188 174.900 0.267 0.000 0.975 156 G CA 0.731 45.877 45.100 0.076 0.000 0.642 156 G HN 0.595 nan 8.290 nan 0.000 0.536 157 R N -1.043 119.683 120.500 0.376 0.000 2.393 157 R HA 0.406 4.754 4.340 0.014 0.000 0.310 157 R C -0.171 176.451 176.300 0.537 0.000 0.968 157 R CA -0.915 55.480 56.100 0.492 0.000 0.867 157 R CB 1.076 31.688 30.300 0.521 0.000 1.124 157 R HN 0.197 nan 8.270 nan 0.000 0.450 158 W N 3.844 125.329 121.300 0.309 0.000 2.322 158 W HA 0.013 4.681 4.660 0.013 0.000 0.328 158 W C 0.169 176.602 176.519 -0.143 0.000 1.395 158 W CA 0.180 57.417 57.345 -0.179 0.000 1.267 158 W CB 0.601 29.942 29.460 -0.197 0.000 1.259 158 W HN 0.362 nan 8.180 nan 0.000 0.560 159 V N 5.384 124.553 119.914 -1.243 0.000 2.599 159 V HA 0.556 4.684 4.120 0.014 0.000 0.237 159 V C 1.114 176.204 176.094 -1.673 0.000 1.081 159 V CA 1.075 62.617 62.300 -1.264 0.000 1.107 159 V CB -0.564 30.585 31.823 -1.122 0.000 0.808 159 V HN 0.800 nan 8.190 nan 0.000 0.486 160 G N -1.851 105.764 108.800 -1.976 0.000 2.428 160 G HA2 0.470 4.438 3.960 0.014 0.000 0.304 160 G HA3 0.470 4.438 3.960 0.014 0.000 0.304 160 G C -2.445 171.983 174.900 -0.787 0.000 1.303 160 G CA -0.264 44.011 45.100 -1.376 0.000 0.825 160 G HN 0.046 nan 8.290 nan 0.000 0.484 161 Y N -0.506 119.534 120.300 -0.434 0.000 2.562 161 Y HA 0.715 5.274 4.550 0.013 0.000 0.345 161 Y C -0.044 175.646 175.900 -0.350 0.000 1.045 161 Y CA -0.080 57.723 58.100 -0.495 0.000 1.028 161 Y CB 2.267 40.593 38.460 -0.223 0.000 1.297 161 Y HN 1.180 nan 8.280 nan 0.000 0.463 162 G N 3.563 111.523 108.800 -1.401 0.000 2.696 162 G HA2 0.599 4.567 3.960 0.014 0.000 0.295 162 G HA3 0.599 4.567 3.960 0.014 0.000 0.295 162 G C -2.075 172.346 174.900 -0.798 0.000 1.398 162 G CA -0.885 43.700 45.100 -0.859 0.000 0.920 162 G HN 0.622 nan 8.290 nan 0.000 0.492 163 Q N -0.257 119.339 119.800 -0.339 0.000 2.633 163 Q HA 0.586 4.934 4.340 0.014 0.000 0.292 163 Q C -1.376 174.622 176.000 -0.002 0.000 1.089 163 Q CA -0.880 54.858 55.803 -0.109 0.000 0.811 163 Q CB 2.627 31.364 28.738 -0.002 0.000 1.472 163 Q HN 0.629 nan 8.270 nan 0.000 0.464 164 D N -0.102 120.334 120.400 0.061 0.000 4.303 164 D HA -0.097 4.551 4.640 0.014 0.000 0.230 164 D C -0.558 175.805 176.300 0.106 0.000 1.172 164 D CA 0.392 54.443 54.000 0.085 0.000 1.001 164 D CB -0.596 40.239 40.800 0.057 0.000 0.641 164 D HN 0.541 nan 8.370 nan 0.000 0.296 165 S N 3.261 119.036 115.700 0.126 0.000 2.595 165 S HA -0.056 4.422 4.470 0.014 0.000 0.235 165 S C 1.533 176.269 174.600 0.226 0.000 0.974 165 S CA 0.522 58.825 58.200 0.171 0.000 0.942 165 S CB 0.228 63.487 63.200 0.099 0.000 0.766 165 S HN 0.459 nan 8.310 nan 0.000 0.536 166 R N 0.062 120.657 120.500 0.158 0.000 2.535 166 R HA 0.421 4.769 4.340 0.014 0.000 0.323 166 R C -0.384 175.981 176.300 0.107 0.000 0.979 166 R CA 0.061 56.259 56.100 0.162 0.000 1.120 166 R CB 0.302 30.727 30.300 0.209 0.000 1.306 166 R HN 0.314 nan 8.270 nan 0.000 0.540 167 L N 1.670 122.927 121.223 0.055 0.000 2.350 167 L HA 0.520 4.868 4.340 0.014 0.000 0.260 167 L C -2.388 174.462 176.870 -0.035 0.000 1.015 167 L CA -2.311 52.529 54.840 0.001 0.000 0.821 167 L CB 2.952 45.002 42.059 -0.015 0.000 1.370 167 L HN -0.214 nan 8.230 nan 0.000 0.416 168 P HA 0.095 nan 4.420 nan 0.000 0.271 168 P C -0.969 176.294 177.300 -0.061 0.000 1.216 168 P CA -0.187 62.867 63.100 -0.076 0.000 0.776 168 P CB 1.165 32.780 31.700 -0.142 0.000 0.881 169 S N 1.908 117.634 115.700 0.044 0.000 2.449 169 S HA 0.319 4.797 4.470 0.014 0.000 0.310 169 S C -0.361 174.176 174.600 -0.105 0.000 1.096 169 S CA -0.570 57.599 58.200 -0.053 0.000 1.095 169 S CB 0.870 64.187 63.200 0.194 0.000 1.007 169 S HN 0.374 nan 8.310 nan 0.000 0.474 170 E N 1.910 121.847 120.200 -0.438 0.000 2.256 170 E HA 0.616 4.974 4.350 0.014 0.000 0.267 170 E C -1.431 174.777 176.600 -0.652 0.000 0.892 170 E CA -0.617 55.608 56.400 -0.292 0.000 0.775 170 E CB 1.728 31.359 29.700 -0.115 0.000 1.207 170 E HN 0.413 nan 8.360 nan 0.000 0.420 171 F N 0.339 120.336 119.950 0.078 0.000 2.588 171 F HA 0.211 4.747 4.527 0.014 0.000 0.310 171 F C -0.160 175.657 175.800 0.028 0.000 1.082 171 F CA -1.118 56.893 58.000 0.019 0.000 0.929 171 F CB 1.603 40.584 39.000 -0.032 0.000 1.254 171 F HN 0.272 nan 8.300 nan 0.000 0.455 172 D N 2.441 122.965 120.400 0.206 0.000 2.325 172 D HA 0.262 4.910 4.640 0.014 0.000 0.251 172 D C 0.270 176.709 176.300 0.231 0.000 1.196 172 D CA 0.275 54.380 54.000 0.175 0.000 0.866 172 D CB 1.046 41.936 40.800 0.150 0.000 1.101 172 D HN 0.566 nan 8.370 nan 0.000 0.476 173 L N 2.713 124.075 121.223 0.232 0.000 2.640 173 L HA 0.030 4.379 4.340 0.014 0.000 0.230 173 L C 2.116 179.231 176.870 0.409 0.000 1.123 173 L CA -0.157 54.877 54.840 0.324 0.000 0.900 173 L CB 0.071 42.285 42.059 0.257 0.000 1.146 173 L HN 0.290 nan 8.230 nan 0.000 0.484 174 S N 1.432 117.303 115.700 0.284 0.000 2.393 174 S HA -0.309 4.170 4.470 0.014 0.000 0.234 174 S C 1.987 176.696 174.600 0.182 0.000 1.064 174 S CA 1.975 60.303 58.200 0.213 0.000 1.088 174 S CB -0.190 63.094 63.200 0.140 0.000 0.939 174 S HN 0.573 nan 8.310 nan 0.000 0.448 175 A N -0.739 122.167 122.820 0.144 0.000 2.238 175 A HA 0.340 4.668 4.320 0.014 0.000 0.208 175 A C 1.299 178.762 177.584 -0.202 0.000 1.177 175 A CA 0.271 52.271 52.037 -0.062 0.000 0.804 175 A CB -0.413 18.472 19.000 -0.191 0.000 0.823 175 A HN 0.479 nan 8.150 nan 0.000 0.482 176 F N -0.501 119.502 119.950 0.088 0.000 2.717 176 F HA 0.334 4.869 4.527 0.014 0.000 0.295 176 F C 0.710 176.563 175.800 0.087 0.000 1.117 176 F CA -0.253 57.799 58.000 0.088 0.000 1.361 176 F CB 0.025 39.089 39.000 0.105 0.000 1.112 176 F HN -0.028 nan 8.300 nan 0.000 0.594 177 L N 2.171 123.561 121.223 0.278 0.000 2.461 177 L HA 0.266 4.614 4.340 0.014 0.000 0.272 177 L C 0.420 177.345 176.870 0.091 0.000 1.197 177 L CA 0.006 54.960 54.840 0.190 0.000 0.836 177 L CB 0.475 42.661 42.059 0.212 0.000 1.105 177 L HN 0.159 nan 8.230 nan 0.000 0.477 178 R N 2.018 122.533 120.500 0.025 0.000 2.836 178 R HA 0.806 5.154 4.340 0.014 0.000 0.269 178 R C -1.053 175.222 176.300 -0.042 0.000 1.010 178 R CA -0.959 55.138 56.100 -0.005 0.000 0.930 178 R CB 1.407 31.700 30.300 -0.012 0.000 1.218 178 R HN 0.524 nan 8.270 nan 0.000 0.473 179 A N 0.969 123.769 122.820 -0.034 0.000 2.498 179 A HA 0.483 4.811 4.320 0.014 0.000 0.239 179 A C 1.104 178.641 177.584 -0.077 0.000 1.068 179 A CA 1.017 53.025 52.037 -0.049 0.000 0.766 179 A CB -0.722 18.258 19.000 -0.033 0.000 1.003 179 A HN 1.380 nan 8.150 nan 0.000 0.497 180 G N 1.272 110.015 108.800 -0.095 0.000 2.509 180 G HA2 -0.199 3.769 3.960 0.014 0.000 0.259 180 G HA3 -0.199 3.769 3.960 0.014 0.000 0.259 180 G C -0.056 174.743 174.900 -0.169 0.000 1.169 180 G CA 0.288 45.322 45.100 -0.111 0.000 0.953 180 G HN 1.015 nan 8.290 nan 0.000 0.563 181 E N 1.826 121.930 120.200 -0.160 0.000 2.316 181 E HA 0.316 4.674 4.350 0.014 0.000 0.275 181 E C -0.006 176.433 176.600 -0.268 0.000 1.029 181 E CA -0.088 56.186 56.400 -0.209 0.000 0.871 181 E CB 0.359 29.975 29.700 -0.140 0.000 1.022 181 E HN 0.406 nan 8.360 nan 0.000 0.418 182 N N 2.608 121.024 118.700 -0.473 0.000 2.292 182 N HA 0.379 5.127 4.740 0.014 0.000 0.303 182 N C -0.833 174.475 175.510 -0.336 0.000 1.140 182 N CA -0.668 52.075 53.050 -0.511 0.000 0.788 182 N CB 2.280 40.176 38.487 -0.984 0.000 1.361 182 N HN 0.276 nan 8.380 nan 0.000 0.489 183 R N 2.011 122.467 120.500 -0.073 0.000 2.476 183 R HA 0.454 4.802 4.340 0.014 0.000 0.305 183 R C -1.282 175.110 176.300 0.153 0.000 0.965 183 R CA -0.471 55.655 56.100 0.043 0.000 0.867 183 R CB 0.882 31.160 30.300 -0.036 0.000 1.176 183 R HN 0.478 nan 8.270 nan 0.000 0.447 184 L N 3.145 124.492 121.223 0.206 0.000 2.343 184 L HA 0.747 5.095 4.340 0.014 0.000 0.275 184 L C -0.252 176.709 176.870 0.153 0.000 1.056 184 L CA -0.892 54.078 54.840 0.217 0.000 0.804 184 L CB 1.925 44.118 42.059 0.224 0.000 1.203 184 L HN 0.782 nan 8.230 nan 0.000 0.440 185 A N 3.145 126.067 122.820 0.171 0.000 2.353 185 A HA 0.729 5.058 4.320 0.014 0.000 0.299 185 A C -1.102 176.788 177.584 0.511 0.000 1.089 185 A CA -0.431 51.622 52.037 0.027 0.000 0.736 185 A CB 1.471 19.970 19.000 -0.835 0.000 1.195 185 A HN 0.367 nan 8.150 nan 0.000 0.447 186 V N 3.517 123.889 119.914 0.763 0.000 2.443 186 V HA 0.453 4.581 4.120 0.014 0.000 0.293 186 V C -0.082 176.543 176.094 0.884 0.000 1.021 186 V CA -0.295 62.442 62.300 0.727 0.000 0.848 186 V CB 1.579 33.650 31.823 0.415 0.000 0.998 186 V HN 0.964 nan 8.190 nan 0.000 0.424 187 M N 6.123 126.276 119.600 0.921 0.000 2.055 187 M HA 0.549 5.037 4.480 0.014 0.000 0.347 187 M C -1.425 175.131 176.300 0.427 0.000 1.123 187 M CA -0.294 55.375 55.300 0.616 0.000 1.035 187 M CB 0.968 33.974 32.600 0.678 0.000 1.484 187 M HN 0.478 nan 8.290 nan 0.000 0.428 188 V N 6.701 126.819 119.914 0.341 0.000 2.427 188 V HA 0.421 4.550 4.120 0.014 0.000 0.286 188 V C -0.116 176.127 176.094 0.248 0.000 1.034 188 V CA -0.702 61.795 62.300 0.328 0.000 0.893 188 V CB 1.616 33.722 31.823 0.473 0.000 0.982 188 V HN 0.789 nan 8.190 nan 0.000 0.452 189 L N 4.790 126.089 121.223 0.127 0.000 2.289 189 L HA 0.539 4.887 4.340 0.014 0.000 0.285 189 L C 1.492 178.361 176.870 -0.001 0.000 1.049 189 L CA -0.438 54.397 54.840 -0.007 0.000 0.804 189 L CB 1.228 43.179 42.059 -0.180 0.000 1.195 189 L HN 0.627 nan 8.230 nan 0.000 0.428 190 R N 2.634 123.088 120.500 -0.076 0.000 2.070 190 R HA -0.054 4.294 4.340 0.014 0.000 0.233 190 R C -0.317 175.638 176.300 -0.575 0.000 1.137 190 R CA 1.439 57.252 56.100 -0.479 0.000 0.945 190 R CB 0.188 30.057 30.300 -0.719 0.000 0.845 190 R HN 0.569 nan 8.270 nan 0.000 0.430 191 W N -0.101 121.255 121.300 0.093 0.000 2.639 191 W HA 0.410 5.078 4.660 0.013 0.000 0.347 191 W C -0.224 176.396 176.519 0.169 0.000 1.067 191 W CA -0.741 56.667 57.345 0.105 0.000 1.218 191 W CB 1.712 31.238 29.460 0.111 0.000 1.393 191 W HN 0.047 nan 8.180 nan 0.000 0.557 192 S N -1.221 114.753 115.700 0.457 0.000 2.672 192 S HA 0.203 4.681 4.470 0.014 0.000 0.271 192 S C 0.082 174.939 174.600 0.428 0.000 1.171 192 S CA -0.389 58.095 58.200 0.473 0.000 0.817 192 S CB 1.106 64.558 63.200 0.420 0.000 1.150 192 S HN 0.620 nan 8.310 nan 0.000 0.478 193 D N 0.444 121.103 120.400 0.433 0.000 2.218 193 D HA 0.066 4.714 4.640 0.014 0.000 0.204 193 D C 1.822 178.447 176.300 0.542 0.000 0.976 193 D CA 1.220 55.526 54.000 0.510 0.000 0.853 193 D CB -0.774 40.185 40.800 0.265 0.000 0.939 193 D HN 0.702 nan 8.370 nan 0.000 0.481 194 G N 0.197 109.225 108.800 0.379 0.000 2.450 194 G HA2 -0.289 3.679 3.960 0.014 0.000 0.220 194 G HA3 -0.289 3.679 3.960 0.014 0.000 0.220 194 G C 1.719 176.810 174.900 0.318 0.000 1.130 194 G CA 0.858 46.151 45.100 0.322 0.000 0.760 194 G HN 0.331 nan 8.290 nan 0.000 0.557 195 S N -0.050 115.824 115.700 0.289 0.000 2.419 195 S HA -0.110 4.368 4.470 0.014 0.000 0.233 195 S C 1.908 176.617 174.600 0.183 0.000 1.016 195 S CA 0.802 59.142 58.200 0.232 0.000 0.974 195 S CB -0.415 62.937 63.200 0.252 0.000 0.786 195 S HN 0.557 nan 8.310 nan 0.000 0.492 196 Y N 1.205 121.642 120.300 0.228 0.000 2.403 196 Y HA 0.052 4.610 4.550 0.013 0.000 0.291 196 Y C 1.583 177.597 175.900 0.191 0.000 1.143 196 Y CA 0.667 58.823 58.100 0.093 0.000 1.257 196 Y CB -0.211 38.176 38.460 -0.121 0.000 0.984 196 Y HN 0.199 nan 8.280 nan 0.000 0.550 197 L N -0.313 121.115 121.223 0.342 0.000 2.700 197 L HA 0.146 4.494 4.340 0.014 0.000 0.234 197 L C -0.005 177.014 176.870 0.247 0.000 1.156 197 L CA 0.347 55.345 54.840 0.263 0.000 0.946 197 L CB 0.081 42.294 42.059 0.256 0.000 1.216 197 L HN 0.126 nan 8.230 nan 0.000 0.493 198 E N -0.141 120.218 120.200 0.265 0.000 3.646 198 E HA 0.040 4.398 4.350 0.014 0.000 0.211 198 E C -0.414 176.306 176.600 0.199 0.000 1.034 198 E CA -0.083 56.455 56.400 0.230 0.000 1.341 198 E CB 0.487 30.310 29.700 0.205 0.000 1.202 198 E HN 0.036 nan 8.360 nan 0.000 0.447 199 D N 1.145 121.630 120.400 0.142 0.000 2.538 199 D HA 0.023 4.671 4.640 0.014 0.000 0.234 199 D C -0.225 176.093 176.300 0.029 0.000 1.191 199 D CA -0.073 53.907 54.000 -0.033 0.000 0.828 199 D CB 0.114 40.664 40.800 -0.417 0.000 0.981 199 D HN 0.072 nan 8.370 nan 0.000 0.490 200 Q N 0.449 120.352 119.800 0.173 0.000 2.395 200 Q HA 0.090 4.438 4.340 0.014 0.000 0.271 200 Q C 0.006 176.151 176.000 0.242 0.000 1.026 200 Q CA 0.104 56.078 55.803 0.284 0.000 0.900 200 Q CB 0.572 29.626 28.738 0.528 0.000 1.266 200 Q HN 0.035 nan 8.270 nan 0.000 0.430 201 D N 3.222 123.794 120.400 0.287 0.000 2.489 201 D HA 0.128 4.776 4.640 0.014 0.000 0.237 201 D C -0.791 175.707 176.300 0.330 0.000 1.212 201 D CA 0.192 54.364 54.000 0.287 0.000 1.058 201 D CB -0.506 40.464 40.800 0.282 0.000 1.098 201 D HN 0.503 nan 8.370 nan 0.000 0.509 202 M N 0.008 119.762 119.600 0.258 0.000 3.012 202 M HA 0.361 4.849 4.480 0.014 0.000 0.272 202 M C -1.299 175.105 176.300 0.174 0.000 1.187 202 M CA -1.156 54.197 55.300 0.088 0.000 0.813 202 M CB 1.015 33.587 32.600 -0.047 0.000 1.626 202 M HN -0.121 nan 8.290 nan 0.000 0.507 203 W N 1.865 123.242 121.300 0.127 0.000 2.231 203 W HA 0.264 4.932 4.660 0.014 0.000 0.341 203 W C 0.297 176.838 176.519 0.037 0.000 1.298 203 W CA 0.012 57.429 57.345 0.120 0.000 1.266 203 W CB 0.328 29.794 29.460 0.009 0.000 1.172 203 W HN 0.309 nan 8.180 nan 0.000 0.568 204 R N 4.605 125.296 120.500 0.318 0.000 2.215 204 R HA 0.438 4.787 4.340 0.014 0.000 0.337 204 R C -0.150 176.157 176.300 0.013 0.000 1.010 204 R CA -0.286 55.913 56.100 0.165 0.000 0.871 204 R CB 0.304 30.779 30.300 0.290 0.000 1.134 204 R HN 0.558 nan 8.270 nan 0.000 0.477 205 M N 0.168 119.659 119.600 -0.182 0.000 2.752 205 M HA 0.543 5.031 4.480 0.014 0.000 0.285 205 M C -0.092 175.861 176.300 -0.578 0.000 1.140 205 M CA -0.843 54.234 55.300 -0.371 0.000 0.767 205 M CB 2.228 34.599 32.600 -0.382 0.000 1.736 205 M HN 0.632 nan 8.290 nan 0.000 0.452 206 S N -1.288 113.940 115.700 -0.788 0.000 2.615 206 S HA 0.922 5.400 4.470 0.014 0.000 0.268 206 S C -0.613 173.469 174.600 -0.863 0.000 1.146 206 S CA -0.183 57.471 58.200 -0.910 0.000 0.818 206 S CB 1.612 64.105 63.200 -1.178 0.000 1.111 206 S HN 1.543 nan 8.310 nan 0.000 0.465 207 G N 0.048 108.563 108.800 -0.475 0.000 2.331 207 G HA2 0.161 4.129 3.960 0.014 0.000 0.479 207 G HA3 0.161 4.129 3.960 0.014 0.000 0.479 207 G C -1.463 173.408 174.900 -0.048 0.000 1.262 207 G CA -0.567 44.548 45.100 0.025 0.000 1.029 207 G HN 1.214 nan 8.290 nan 0.000 0.487 208 I N 2.047 122.442 120.570 -0.293 0.000 2.276 208 I HA 0.314 4.492 4.170 0.014 0.000 0.290 208 I C 1.016 176.989 176.117 -0.241 0.000 1.109 208 I CA -0.230 60.804 61.300 -0.443 0.000 1.229 208 I CB -0.044 37.410 38.000 -0.910 0.000 1.452 208 I HN 0.523 nan 8.210 nan 0.000 0.497 209 F N 4.551 124.336 119.950 -0.276 0.000 2.678 209 F HA 0.485 5.020 4.527 0.013 0.000 0.305 209 F C 0.635 176.344 175.800 -0.152 0.000 1.090 209 F CA -0.546 57.327 58.000 -0.212 0.000 1.272 209 F CB 0.168 39.047 39.000 -0.203 0.000 1.060 209 F HN 0.134 nan 8.300 nan 0.000 0.576 210 R N 0.425 120.487 120.500 -0.730 0.000 2.930 210 R HA 0.246 4.595 4.340 0.014 0.000 0.257 210 R C -0.739 175.344 176.300 -0.362 0.000 1.107 210 R CA -1.175 54.599 56.100 -0.543 0.000 0.999 210 R CB 0.693 30.577 30.300 -0.694 0.000 1.209 210 R HN -0.037 nan 8.270 nan 0.000 0.486 211 D N 0.718 120.954 120.400 -0.273 0.000 2.443 211 D HA 0.092 4.740 4.640 0.014 0.000 0.234 211 D C -0.452 175.706 176.300 -0.237 0.000 1.172 211 D CA 0.483 54.364 54.000 -0.199 0.000 0.878 211 D CB 0.661 41.381 40.800 -0.134 0.000 1.204 211 D HN -0.011 nan 8.370 nan 0.000 0.453 212 V N 0.809 120.598 119.914 -0.209 0.000 2.604 212 V HA 0.575 4.703 4.120 0.014 0.000 0.305 212 V C 0.043 176.024 176.094 -0.188 0.000 1.043 212 V CA -0.577 61.539 62.300 -0.307 0.000 0.888 212 V CB 1.742 33.396 31.823 -0.281 0.000 0.995 212 V HN 0.769 nan 8.190 nan 0.000 0.429 213 S N 4.405 119.966 115.700 -0.231 0.000 2.638 213 S HA 0.847 5.326 4.470 0.014 0.000 0.274 213 S C -1.351 173.185 174.600 -0.108 0.000 1.157 213 S CA -0.944 57.185 58.200 -0.117 0.000 0.826 213 S CB 1.868 65.030 63.200 -0.063 0.000 1.139 213 S HN 0.466 nan 8.310 nan 0.000 0.474 214 L N 1.333 122.553 121.223 -0.005 0.000 2.362 214 L HA 0.709 5.057 4.340 0.014 0.000 0.275 214 L C -1.463 175.471 176.870 0.107 0.000 0.998 214 L CA -0.869 54.016 54.840 0.075 0.000 0.820 214 L CB 1.746 43.944 42.059 0.232 0.000 1.270 214 L HN 0.674 nan 8.230 nan 0.000 0.415 215 L N 3.180 124.410 121.223 0.012 0.000 2.381 215 L HA 0.419 4.767 4.340 0.014 0.000 0.274 215 L C -0.783 175.951 176.870 -0.226 0.000 0.988 215 L CA -0.094 54.702 54.840 -0.073 0.000 0.824 215 L CB 1.467 43.510 42.059 -0.027 0.000 1.263 215 L HN 0.518 nan 8.230 nan 0.000 0.410 216 H N 5.670 124.393 119.070 -0.578 0.000 2.661 216 H HA 0.403 4.968 4.556 0.014 0.000 0.290 216 H C -1.051 174.006 175.328 -0.451 0.000 1.082 216 H CA -0.677 54.880 56.048 -0.818 0.000 1.234 216 H CB 0.770 29.406 29.762 -1.876 0.000 1.387 216 H HN 0.521 nan 8.280 nan 0.000 0.476 217 K N 5.012 125.048 120.400 -0.607 0.000 2.185 217 K HA 0.386 4.714 4.320 0.014 0.000 0.240 217 K C -2.598 173.687 176.600 -0.526 0.000 0.983 217 K CA -1.973 54.037 56.287 -0.461 0.000 0.873 217 K CB 1.676 34.007 32.500 -0.282 0.000 1.118 217 K HN 0.494 nan 8.250 nan 0.000 0.441 218 P HA 0.071 nan 4.420 nan 0.000 0.276 218 P C 0.698 177.887 177.300 -0.184 0.000 1.252 218 P CA -0.106 62.845 63.100 -0.248 0.000 0.802 218 P CB 0.307 31.919 31.700 -0.146 0.000 1.035 219 T N -2.972 111.506 114.554 -0.127 0.000 2.904 219 T HA -0.032 4.326 4.350 0.014 0.000 0.267 219 T C 0.691 175.338 174.700 -0.088 0.000 1.059 219 T CA 1.226 63.271 62.100 -0.091 0.000 1.137 219 T CB -1.008 67.827 68.868 -0.056 0.000 0.879 219 T HN 0.292 nan 8.240 nan 0.000 0.467 220 T N 3.286 117.790 114.554 -0.083 0.000 2.762 220 T HA 0.487 4.846 4.350 0.014 0.000 0.303 220 T C -0.374 174.268 174.700 -0.097 0.000 0.977 220 T CA -0.747 61.297 62.100 -0.093 0.000 0.961 220 T CB 0.783 69.609 68.868 -0.069 0.000 0.944 220 T HN 0.700 nan 8.240 nan 0.000 0.481 221 Q N 2.513 122.244 119.800 -0.115 0.000 2.553 221 Q HA 0.627 4.975 4.340 0.014 0.000 0.293 221 Q C -1.169 174.767 176.000 -0.106 0.000 1.038 221 Q CA -1.184 54.545 55.803 -0.122 0.000 0.777 221 Q CB 1.350 29.996 28.738 -0.154 0.000 1.487 221 Q HN 0.435 nan 8.270 nan 0.000 0.426 222 I N 2.550 123.037 120.570 -0.138 0.000 2.379 222 I HA 0.034 4.212 4.170 0.014 0.000 0.290 222 I C 0.698 176.736 176.117 -0.133 0.000 1.063 222 I CA 0.019 61.261 61.300 -0.098 0.000 1.351 222 I CB 1.119 39.018 38.000 -0.168 0.000 1.410 222 I HN 0.889 nan 8.210 nan 0.000 0.505 223 S N 2.739 118.467 115.700 0.047 0.000 2.502 223 S HA 0.201 4.680 4.470 0.014 0.000 0.215 223 S C 0.162 174.969 174.600 0.346 0.000 1.009 223 S CA -0.245 58.049 58.200 0.157 0.000 0.908 223 S CB 0.314 63.556 63.200 0.070 0.000 0.801 223 S HN 0.708 nan 8.310 nan 0.000 0.505 224 D N -0.282 120.321 120.400 0.339 0.000 2.728 224 D HA 0.510 5.158 4.640 0.014 0.000 0.249 224 D C -1.935 174.562 176.300 0.328 0.000 1.225 224 D CA -0.719 53.484 54.000 0.339 0.000 0.748 224 D CB 1.517 42.415 40.800 0.163 0.000 1.326 224 D HN 0.215 nan 8.370 nan 0.000 0.426 225 F N -0.603 119.441 119.950 0.157 0.000 2.635 225 F HA 0.598 5.133 4.527 0.014 0.000 0.314 225 F C -1.513 174.386 175.800 0.166 0.000 1.119 225 F CA -0.812 57.211 58.000 0.038 0.000 1.000 225 F CB 1.192 40.238 39.000 0.075 0.000 1.278 225 F HN 0.238 nan 8.300 nan 0.000 0.446 226 H N 2.073 121.224 119.070 0.135 0.000 2.529 226 H HA 0.734 5.298 4.556 0.014 0.000 0.348 226 H C -1.237 174.139 175.328 0.079 0.000 1.079 226 H CA -1.527 54.532 56.048 0.019 0.000 1.198 226 H CB 2.590 32.340 29.762 -0.020 0.000 1.521 226 H HN 0.600 nan 8.280 nan 0.000 0.514 227 V N 2.379 122.399 119.914 0.176 0.000 2.417 227 V HA 0.650 4.778 4.120 0.014 0.000 0.291 227 V C -0.128 175.967 176.094 0.002 0.000 1.024 227 V CA -0.544 61.807 62.300 0.086 0.000 0.861 227 V CB 1.220 33.082 31.823 0.064 0.000 0.985 227 V HN 0.937 nan 8.190 nan 0.000 0.436 228 A N 3.333 126.133 122.820 -0.033 0.000 2.401 228 A HA 0.947 5.275 4.320 0.014 0.000 0.310 228 A C -0.156 177.347 177.584 -0.134 0.000 1.075 228 A CA -0.520 51.481 52.037 -0.061 0.000 0.746 228 A CB 2.020 21.003 19.000 -0.028 0.000 1.277 228 A HN 0.923 nan 8.150 nan 0.000 0.425 229 T N -0.096 114.366 114.554 -0.152 0.000 2.890 229 T HA 0.711 5.069 4.350 0.014 0.000 0.295 229 T C -0.524 173.980 174.700 -0.328 0.000 0.993 229 T CA -0.631 61.300 62.100 -0.282 0.000 0.979 229 T CB 0.853 69.493 68.868 -0.381 0.000 0.967 229 T HN 0.692 nan 8.240 nan 0.000 0.441 230 R N 1.945 122.183 120.500 -0.437 0.000 2.732 230 R HA 0.812 5.160 4.340 0.014 0.000 0.278 230 R C -1.112 174.794 176.300 -0.658 0.000 0.976 230 R CA -0.764 55.130 56.100 -0.343 0.000 0.963 230 R CB 1.492 31.709 30.300 -0.139 0.000 1.150 230 R HN 0.551 nan 8.270 nan 0.000 0.478 231 F N 0.264 120.197 119.950 -0.027 0.000 2.611 231 F HA 0.357 4.891 4.527 0.012 0.000 0.324 231 F C 0.542 176.202 175.800 -0.234 0.000 1.061 231 F CA -1.120 56.797 58.000 -0.138 0.000 0.954 231 F CB 1.011 39.812 39.000 -0.331 0.000 1.301 231 F HN 0.534 nan 8.300 nan 0.000 0.482 232 N N 0.045 118.714 118.700 -0.051 0.000 2.366 232 N HA 0.046 4.795 4.740 0.014 0.000 0.277 232 N C 0.475 175.844 175.510 -0.236 0.000 1.275 232 N CA -0.116 52.871 53.050 -0.104 0.000 0.964 232 N CB 0.095 38.551 38.487 -0.053 0.000 1.167 232 N HN 0.674 nan 8.380 nan 0.000 0.568 233 D N -1.433 118.880 120.400 -0.145 0.000 2.182 233 D HA -0.221 4.427 4.640 0.014 0.000 0.201 233 D C 0.218 176.443 176.300 -0.125 0.000 0.986 233 D CA 1.476 55.396 54.000 -0.133 0.000 0.847 233 D CB -0.512 40.265 40.800 -0.039 0.000 0.942 233 D HN 0.733 nan 8.370 nan 0.000 0.467 234 D N -1.818 118.545 120.400 -0.061 0.000 2.501 234 D HA 0.046 4.694 4.640 0.014 0.000 0.224 234 D C 0.038 176.500 176.300 0.269 0.000 1.202 234 D CA -0.996 53.082 54.000 0.130 0.000 0.829 234 D CB -0.986 39.889 40.800 0.124 0.000 1.023 234 D HN 0.142 nan 8.370 nan 0.000 0.499 235 F N 0.480 120.491 119.950 0.100 0.000 2.988 235 F HA -0.281 4.253 4.527 0.012 0.000 0.287 235 F C 1.550 177.434 175.800 0.140 0.000 0.781 235 F CA 0.813 58.894 58.000 0.134 0.000 1.221 235 F CB -2.498 36.484 39.000 -0.029 0.000 1.392 235 F HN 0.205 nan 8.300 nan 0.000 0.425 236 S N -1.510 114.295 115.700 0.175 0.000 2.548 236 S HA 0.331 4.809 4.470 0.014 0.000 0.215 236 S C 0.617 175.269 174.600 0.086 0.000 0.976 236 S CA -0.023 58.253 58.200 0.126 0.000 0.908 236 S CB 0.464 63.713 63.200 0.081 0.000 0.781 236 S HN 0.457 nan 8.310 nan 0.000 0.519 237 R N 0.129 120.683 120.500 0.090 0.000 2.651 237 R HA 0.787 5.135 4.340 0.014 0.000 0.278 237 R C -1.423 174.894 176.300 0.029 0.000 1.010 237 R CA -0.205 55.912 56.100 0.029 0.000 0.896 237 R CB 2.285 32.580 30.300 -0.009 0.000 1.211 237 R HN 0.261 nan 8.270 nan 0.000 0.456 238 A N 1.748 124.525 122.820 -0.071 0.000 2.498 238 A HA 0.700 5.028 4.320 0.014 0.000 0.298 238 A C -1.317 176.170 177.584 -0.161 0.000 1.075 238 A CA -0.646 51.262 52.037 -0.215 0.000 0.714 238 A CB 1.928 20.767 19.000 -0.268 0.000 1.299 238 A HN 0.357 nan 8.150 nan 0.000 0.407 239 V N 2.084 121.877 119.914 -0.202 0.000 2.384 239 V HA 0.420 4.549 4.120 0.014 0.000 0.287 239 V C -0.282 175.746 176.094 -0.110 0.000 1.020 239 V CA -0.367 61.859 62.300 -0.122 0.000 0.850 239 V CB 1.298 33.057 31.823 -0.107 0.000 0.987 239 V HN 0.785 nan 8.190 nan 0.000 0.436 240 L N 4.903 126.102 121.223 -0.039 0.000 2.264 240 L HA 0.608 4.956 4.340 0.014 0.000 0.289 240 L C -0.016 176.818 176.870 -0.059 0.000 1.044 240 L CA 0.008 54.815 54.840 -0.055 0.000 0.807 240 L CB 1.051 43.106 42.059 -0.007 0.000 1.192 240 L HN 0.804 nan 8.230 nan 0.000 0.425 241 E N 4.578 124.740 120.200 -0.064 0.000 2.199 241 E HA 0.670 5.028 4.350 0.014 0.000 0.265 241 E C -1.535 175.056 176.600 -0.015 0.000 0.882 241 E CA -0.794 55.582 56.400 -0.040 0.000 0.759 241 E CB 1.799 31.475 29.700 -0.040 0.000 1.148 241 E HN 0.716 nan 8.360 nan 0.000 0.412 242 A N 4.583 127.398 122.820 -0.007 0.000 2.311 242 A HA 0.331 4.659 4.320 0.014 0.000 0.306 242 A C -0.715 176.871 177.584 0.004 0.000 1.189 242 A CA -0.669 51.385 52.037 0.029 0.000 0.791 242 A CB 1.170 20.187 19.000 0.028 0.000 1.172 242 A HN 0.743 nan 8.150 nan 0.000 0.481 243 E N 2.280 122.479 120.200 -0.001 0.000 2.227 243 E HA 0.540 4.899 4.350 0.014 0.000 0.282 243 E C -1.285 175.273 176.600 -0.070 0.000 1.015 243 E CA -0.332 56.022 56.400 -0.077 0.000 0.823 243 E CB 1.131 30.730 29.700 -0.167 0.000 1.081 243 E HN 0.392 nan 8.360 nan 0.000 0.396 244 V N 4.838 124.729 119.914 -0.038 0.000 2.540 244 V HA 0.272 4.400 4.120 0.014 0.000 0.302 244 V C -0.504 175.650 176.094 0.100 0.000 1.035 244 V CA -0.801 61.526 62.300 0.046 0.000 0.873 244 V CB 1.733 33.568 31.823 0.020 0.000 0.992 244 V HN 0.732 nan 8.190 nan 0.000 0.428 245 Q N 4.271 124.136 119.800 0.108 0.000 2.306 245 Q HA 0.832 5.180 4.340 0.014 0.000 0.265 245 Q C -0.792 175.275 176.000 0.112 0.000 1.022 245 Q CA -0.847 55.018 55.803 0.102 0.000 0.853 245 Q CB 2.671 31.409 28.738 -0.001 0.000 1.327 245 Q HN 0.822 nan 8.270 nan 0.000 0.449 246 M N -0.940 118.656 119.600 -0.006 0.000 2.690 246 M HA 0.753 5.241 4.480 0.014 0.000 0.302 246 M C -1.308 174.903 176.300 -0.148 0.000 1.234 246 M CA -0.494 54.725 55.300 -0.135 0.000 0.853 246 M CB 1.662 33.998 32.600 -0.440 0.000 1.748 246 M HN 0.491 nan 8.290 nan 0.000 0.469 247 C N 0.849 120.070 119.300 -0.131 0.000 2.634 247 C HA 1.037 5.505 4.460 0.014 0.000 0.313 247 C C 0.552 175.464 174.990 -0.130 0.000 1.198 247 C CA 0.549 59.504 59.018 -0.104 0.000 1.605 247 C CB 0.957 28.661 27.740 -0.059 0.000 2.196 247 C HN 1.371 nan 8.230 nan 0.000 0.486 248 G N 1.747 110.478 108.800 -0.115 0.000 2.373 248 G HA2 0.045 4.013 3.960 0.014 0.000 0.634 248 G HA3 0.045 4.013 3.960 0.014 0.000 0.634 248 G C -1.235 173.587 174.900 -0.130 0.000 1.267 248 G CA -0.690 44.342 45.100 -0.113 0.000 1.008 248 G HN 0.865 nan 8.290 nan 0.000 0.497 249 E N 0.010 120.139 120.200 -0.117 0.000 2.223 249 E HA 0.435 4.794 4.350 0.014 0.000 0.282 249 E C 0.467 176.961 176.600 -0.178 0.000 1.046 249 E CA -0.452 55.876 56.400 -0.120 0.000 0.857 249 E CB 0.384 30.037 29.700 -0.079 0.000 1.055 249 E HN 0.429 nan 8.360 nan 0.000 0.409 250 L N 5.028 126.137 121.223 -0.189 0.000 2.416 250 L HA 0.251 4.599 4.340 0.014 0.000 0.272 250 L C 0.560 177.291 176.870 -0.233 0.000 1.161 250 L CA 0.269 54.970 54.840 -0.232 0.000 0.845 250 L CB 0.374 42.323 42.059 -0.184 0.000 1.119 250 L HN 0.437 nan 8.230 nan 0.000 0.464 251 R N 1.723 122.029 120.500 -0.324 0.000 2.604 251 R HA 0.164 4.512 4.340 0.014 0.000 0.281 251 R C -0.411 175.626 176.300 -0.437 0.000 1.020 251 R CA -0.819 54.999 56.100 -0.470 0.000 0.899 251 R CB 1.883 31.639 30.300 -0.906 0.000 1.205 251 R HN 0.549 nan 8.270 nan 0.000 0.450 252 D N 1.222 121.459 120.400 -0.271 0.000 2.265 252 D HA -0.161 4.488 4.640 0.014 0.000 0.208 252 D C 1.475 177.739 176.300 -0.061 0.000 0.977 252 D CA 1.637 55.569 54.000 -0.114 0.000 0.871 252 D CB 0.053 40.839 40.800 -0.024 0.000 0.925 252 D HN 0.589 nan 8.370 nan 0.000 0.485 253 Y N -0.263 120.046 120.300 0.015 0.000 2.529 253 Y HA 0.281 4.840 4.550 0.014 0.000 0.290 253 Y C 0.776 176.675 175.900 -0.002 0.000 1.177 253 Y CA -0.500 57.605 58.100 0.008 0.000 1.305 253 Y CB -0.851 37.614 38.460 0.009 0.000 1.047 253 Y HN -0.193 nan 8.280 nan 0.000 0.522 254 L N 2.398 123.565 121.223 -0.094 0.000 2.452 254 L HA 0.342 4.690 4.340 0.014 0.000 0.267 254 L C 0.194 177.060 176.870 -0.006 0.000 1.188 254 L CA -0.229 54.631 54.840 0.034 0.000 0.821 254 L CB 0.504 42.598 42.059 0.058 0.000 1.102 254 L HN 0.142 nan 8.230 nan 0.000 0.470 255 R N 1.459 121.850 120.500 -0.182 0.000 2.799 255 R HA 0.698 5.046 4.340 0.014 0.000 0.270 255 R C -1.495 174.495 176.300 -0.518 0.000 1.010 255 R CA -0.819 55.031 56.100 -0.417 0.000 0.916 255 R CB 2.093 32.024 30.300 -0.615 0.000 1.228 255 R HN 0.268 nan 8.270 nan 0.000 0.469 256 V N 0.681 120.326 119.914 -0.450 0.000 2.656 256 V HA 0.552 4.680 4.120 0.014 0.000 0.307 256 V C -0.257 175.806 176.094 -0.051 0.000 1.051 256 V CA -0.591 61.554 62.300 -0.258 0.000 0.893 256 V CB 2.312 33.915 31.823 -0.367 0.000 0.999 256 V HN 0.713 nan 8.190 nan 0.000 0.426 257 T N 3.537 118.165 114.554 0.124 0.000 2.841 257 T HA 0.633 4.991 4.350 0.014 0.000 0.283 257 T C -0.694 174.011 174.700 0.009 0.000 1.000 257 T CA -0.352 61.805 62.100 0.094 0.000 0.977 257 T CB 1.767 70.709 68.868 0.124 0.000 0.979 257 T HN 0.357 nan 8.240 nan 0.000 0.446 258 V N 2.971 122.871 119.914 -0.023 0.000 2.459 258 V HA 0.638 4.766 4.120 0.014 0.000 0.295 258 V C -0.150 175.933 176.094 -0.018 0.000 1.029 258 V CA -0.561 61.721 62.300 -0.030 0.000 0.874 258 V CB 2.009 33.805 31.823 -0.044 0.000 0.985 258 V HN 0.946 nan 8.190 nan 0.000 0.438 259 S N 4.285 119.997 115.700 0.021 0.000 2.536 259 S HA 0.763 5.242 4.470 0.014 0.000 0.298 259 S C -0.998 173.622 174.600 0.034 0.000 1.083 259 S CA -0.477 57.711 58.200 -0.020 0.000 0.995 259 S CB 1.864 65.095 63.200 0.051 0.000 1.058 259 S HN 0.556 nan 8.310 nan 0.000 0.488 260 L N 2.714 123.870 121.223 -0.112 0.000 2.333 260 L HA 0.738 5.087 4.340 0.014 0.000 0.280 260 L C -2.019 174.806 176.870 -0.076 0.000 1.004 260 L CA -0.109 54.756 54.840 0.042 0.000 0.820 260 L CB 0.740 42.823 42.059 0.040 0.000 1.247 260 L HN 0.726 nan 8.230 nan 0.000 0.416 261 W N 3.406 124.813 121.300 0.178 0.000 2.761 261 W HA 0.591 5.259 4.660 0.013 0.000 0.340 261 W C -0.637 176.008 176.519 0.211 0.000 1.072 261 W CA -0.471 56.965 57.345 0.152 0.000 1.215 261 W CB 1.477 30.972 29.460 0.058 0.000 1.420 261 W HN 0.427 nan 8.180 nan 0.000 0.519 262 Q N 2.507 122.503 119.800 0.327 0.000 2.413 262 Q HA 0.499 4.847 4.340 0.014 0.000 0.258 262 Q C 0.735 176.790 176.000 0.093 0.000 1.037 262 Q CA 0.463 56.304 55.803 0.064 0.000 0.764 262 Q CB 0.672 29.403 28.738 -0.012 0.000 1.217 262 Q HN 0.779 nan 8.270 nan 0.000 0.490 263 G N 3.378 112.218 108.800 0.068 0.000 2.583 263 G HA2 -0.374 3.595 3.960 0.014 0.000 0.292 263 G HA3 -0.374 3.595 3.960 0.014 0.000 0.292 263 G C 0.210 175.195 174.900 0.142 0.000 1.203 263 G CA 0.424 45.559 45.100 0.059 0.000 0.987 263 G HN 0.738 nan 8.290 nan 0.000 0.554 264 E N 0.715 120.989 120.200 0.123 0.000 2.445 264 E HA 0.244 4.602 4.350 0.014 0.000 0.189 264 E C 0.217 177.037 176.600 0.366 0.000 1.069 264 E CA 0.463 56.970 56.400 0.177 0.000 0.871 264 E CB 0.235 29.980 29.700 0.075 0.000 0.991 264 E HN 0.284 nan 8.360 nan 0.000 0.481 265 T N 1.282 116.036 114.554 0.333 0.000 2.771 265 T HA 0.118 4.476 4.350 0.014 0.000 0.281 265 T C -0.390 174.350 174.700 0.065 0.000 0.982 265 T CA -0.503 61.718 62.100 0.202 0.000 0.978 265 T CB 1.574 70.493 68.868 0.085 0.000 0.930 265 T HN 0.047 nan 8.240 nan 0.000 0.447 266 Q N 2.909 122.481 119.800 -0.379 0.000 2.293 266 Q HA 0.274 4.623 4.340 0.014 0.000 0.263 266 Q C 0.996 176.744 176.000 -0.420 0.000 1.002 266 Q CA -0.412 54.828 55.803 -0.940 0.000 0.910 266 Q CB 0.654 28.583 28.738 -1.349 0.000 1.185 266 Q HN 0.687 nan 8.270 nan 0.000 0.401 267 V N 1.003 120.741 119.914 -0.293 0.000 3.125 267 V HA 0.592 4.720 4.120 0.014 0.000 0.249 267 V C 0.325 176.324 176.094 -0.158 0.000 1.113 267 V CA 0.692 62.908 62.300 -0.140 0.000 1.106 267 V CB 0.061 31.878 31.823 -0.010 0.000 0.768 267 V HN 0.650 nan 8.190 nan 0.000 0.468 268 A N -0.952 121.746 122.820 -0.203 0.000 2.608 268 A HA 0.832 5.160 4.320 0.014 0.000 0.292 268 A C -0.693 176.785 177.584 -0.176 0.000 1.066 268 A CA 0.204 52.148 52.037 -0.155 0.000 0.676 268 A CB 1.613 20.549 19.000 -0.107 0.000 1.277 268 A HN 0.508 nan 8.150 nan 0.000 0.413 269 S N -1.383 114.239 115.700 -0.130 0.000 2.565 269 S HA 0.817 5.295 4.470 0.014 0.000 0.269 269 S C -0.651 173.904 174.600 -0.074 0.000 1.153 269 S CA 0.158 58.292 58.200 -0.110 0.000 0.835 269 S CB 1.822 64.947 63.200 -0.126 0.000 1.122 269 S HN 2.283 nan 8.310 nan 0.000 0.462 270 G N 1.286 110.052 108.800 -0.056 0.000 2.719 270 G HA2 0.620 4.588 3.960 0.014 0.000 0.298 270 G HA3 0.620 4.588 3.960 0.014 0.000 0.298 270 G C -1.441 173.439 174.900 -0.033 0.000 1.411 270 G CA -0.342 44.730 45.100 -0.047 0.000 0.991 270 G HN 0.667 nan 8.290 nan 0.000 0.509 271 T N -0.022 114.516 114.554 -0.026 0.000 2.893 271 T HA 0.869 5.227 4.350 0.014 0.000 0.293 271 T C -0.269 174.400 174.700 -0.051 0.000 1.027 271 T CA 0.001 62.096 62.100 -0.008 0.000 0.988 271 T CB 1.830 70.728 68.868 0.049 0.000 1.043 271 T HN 1.565 nan 8.240 nan 0.000 0.461 272 A N 3.379 126.135 122.820 -0.105 0.000 2.608 272 A HA 0.902 5.230 4.320 0.014 0.000 0.292 272 A C -3.121 174.337 177.584 -0.209 0.000 1.066 272 A CA -1.523 50.435 52.037 -0.130 0.000 0.676 272 A CB 1.159 20.080 19.000 -0.132 0.000 1.277 272 A HN 0.533 nan 8.150 nan 0.000 0.413 273 P HA 0.558 nan 4.420 nan 0.000 0.278 273 P C -0.588 176.586 177.300 -0.210 0.000 1.266 273 P CA -0.320 62.688 63.100 -0.153 0.000 0.807 273 P CB 0.310 31.982 31.700 -0.048 0.000 1.094 274 F N -0.209 119.700 119.950 -0.068 0.000 2.450 274 F HA 0.465 5.000 4.527 0.013 0.000 0.339 274 F C 1.474 177.255 175.800 -0.032 0.000 1.146 274 F CA 1.550 59.519 58.000 -0.050 0.000 1.267 274 F CB 0.167 39.132 39.000 -0.058 0.000 1.178 274 F HN 0.558 nan 8.300 nan 0.000 0.585 275 G N 1.602 110.511 108.800 0.182 0.000 2.648 275 G HA2 0.352 4.320 3.960 0.014 0.000 0.317 275 G HA3 0.352 4.320 3.960 0.014 0.000 0.317 275 G C -0.423 174.522 174.900 0.075 0.000 1.216 275 G CA -0.722 44.445 45.100 0.112 0.000 1.210 275 G HN 1.039 nan 8.290 nan 0.000 0.583 276 G N 0.583 109.448 108.800 0.109 0.000 2.621 276 G HA2 0.665 4.633 3.960 0.014 0.000 0.271 276 G HA3 0.665 4.633 3.960 0.014 0.000 0.271 276 G C 0.435 175.373 174.900 0.064 0.000 1.236 276 G CA -0.057 45.097 45.100 0.089 0.000 0.958 276 G HN 1.013 nan 8.290 nan 0.000 0.512 277 E N -0.967 119.264 120.200 0.052 0.000 2.392 277 E HA 0.264 4.622 4.350 0.014 0.000 0.256 277 E C -0.127 176.495 176.600 0.037 0.000 1.145 277 E CA -0.560 55.860 56.400 0.034 0.000 0.929 277 E CB 1.052 30.768 29.700 0.026 0.000 0.998 277 E HN 0.296 nan 8.360 nan 0.000 0.442 278 I N 1.800 122.381 120.570 0.017 0.000 2.683 278 I HA -0.085 4.094 4.170 0.014 0.000 0.286 278 I C 1.024 177.148 176.117 0.012 0.000 1.175 278 I CA 0.486 61.789 61.300 0.005 0.000 1.429 278 I CB 0.281 38.279 38.000 -0.003 0.000 1.371 278 I HN 0.636 nan 8.210 nan 0.000 0.569 279 I N 1.285 121.856 120.570 0.002 0.000 4.312 279 I HA 0.340 4.518 4.170 0.014 0.000 0.324 279 I C -0.191 175.924 176.117 -0.003 0.000 1.298 279 I CA -0.035 61.274 61.300 0.015 0.000 1.231 279 I CB 0.459 38.492 38.000 0.055 0.000 1.152 279 I HN 0.596 nan 8.210 nan 0.000 0.421 280 D N -0.467 119.918 120.400 -0.024 0.000 2.838 280 D HA 0.173 4.821 4.640 0.014 0.000 0.334 280 D C 0.271 176.553 176.300 -0.030 0.000 1.315 280 D CA -0.509 53.477 54.000 -0.023 0.000 0.917 280 D CB 0.463 41.249 40.800 -0.024 0.000 1.435 280 D HN -0.133 nan 8.370 nan 0.000 0.517 281 E N -0.970 119.215 120.200 -0.025 0.000 2.273 281 E HA -0.080 4.278 4.350 0.014 0.000 0.198 281 E C 1.155 177.735 176.600 -0.034 0.000 1.002 281 E CA 1.062 57.447 56.400 -0.025 0.000 0.828 281 E CB -0.060 29.629 29.700 -0.019 0.000 0.747 281 E HN 0.221 nan 8.360 nan 0.000 0.491 282 R N -0.401 120.070 120.500 -0.049 0.000 2.393 282 R HA 0.327 4.675 4.340 0.014 0.000 0.244 282 R C 0.730 176.986 176.300 -0.072 0.000 0.920 282 R CA 0.625 56.690 56.100 -0.058 0.000 1.076 282 R CB 0.733 30.992 30.300 -0.069 0.000 1.119 282 R HN 0.204 nan 8.270 nan 0.000 0.524 283 G N -0.481 108.279 108.800 -0.068 0.000 2.408 283 G HA2 -0.112 3.856 3.960 0.014 0.000 0.204 283 G HA3 -0.112 3.856 3.960 0.014 0.000 0.204 283 G C -0.257 174.589 174.900 -0.090 0.000 1.186 283 G CA -0.617 44.442 45.100 -0.067 0.000 1.139 283 G HN 0.455 nan 8.290 nan 0.000 0.563 284 G N -2.046 106.697 108.800 -0.095 0.000 3.176 284 G HA2 0.636 4.605 3.960 0.014 0.000 0.272 284 G HA3 0.636 4.605 3.960 0.014 0.000 0.272 284 G C -1.569 173.234 174.900 -0.161 0.000 1.349 284 G CA -0.714 44.333 45.100 -0.089 0.000 0.953 284 G HN 0.780 nan 8.290 nan 0.000 0.559 285 Y N 1.170 121.479 120.300 0.015 0.000 2.504 285 Y HA 0.406 4.964 4.550 0.013 0.000 0.351 285 Y C 1.508 177.429 175.900 0.034 0.000 0.988 285 Y CA 0.203 58.316 58.100 0.020 0.000 1.239 285 Y CB 1.639 40.116 38.460 0.028 0.000 1.128 285 Y HN 0.547 nan 8.280 nan 0.000 0.525 286 A N 1.858 124.747 122.820 0.115 0.000 2.067 286 A HA -0.150 4.178 4.320 0.014 0.000 0.219 286 A C 1.396 179.047 177.584 0.112 0.000 1.158 286 A CA 1.452 53.542 52.037 0.089 0.000 0.661 286 A CB -0.261 18.750 19.000 0.019 0.000 0.801 286 A HN 0.792 nan 8.150 nan 0.000 0.452 287 D N -0.811 119.655 120.400 0.110 0.000 2.358 287 D HA 0.143 4.791 4.640 0.014 0.000 0.224 287 D C 0.476 176.875 176.300 0.164 0.000 1.123 287 D CA -0.043 53.949 54.000 -0.014 0.000 0.833 287 D CB -0.026 40.749 40.800 -0.041 0.000 0.946 287 D HN 0.422 nan 8.370 nan 0.000 0.505 288 R N -0.847 119.857 120.500 0.340 0.000 2.836 288 R HA 0.767 5.115 4.340 0.014 0.000 0.269 288 R C -1.543 174.893 176.300 0.227 0.000 1.010 288 R CA -1.163 55.115 56.100 0.297 0.000 0.930 288 R CB 2.999 33.339 30.300 0.067 0.000 1.218 288 R HN -0.027 nan 8.270 nan 0.000 0.473 289 V N 0.070 120.008 119.914 0.041 0.000 3.077 289 V HA 0.515 4.643 4.120 0.014 0.000 0.299 289 V C -1.624 174.418 176.094 -0.088 0.000 1.276 289 V CA -0.286 61.962 62.300 -0.088 0.000 0.993 289 V CB 2.807 34.444 31.823 -0.311 0.000 1.076 289 V HN 0.818 nan 8.190 nan 0.000 0.434 290 T N 6.946 121.456 114.554 -0.073 0.000 2.812 290 T HA 0.635 4.993 4.350 0.014 0.000 0.282 290 T C -1.081 173.579 174.700 -0.067 0.000 0.990 290 T CA -0.410 61.654 62.100 -0.060 0.000 0.960 290 T CB 1.163 70.008 68.868 -0.037 0.000 0.948 290 T HN 0.467 nan 8.240 nan 0.000 0.438 291 L N 3.303 124.487 121.223 -0.064 0.000 2.331 291 L HA 0.622 4.970 4.340 0.014 0.000 0.275 291 L C 0.310 177.151 176.870 -0.048 0.000 1.022 291 L CA -0.576 54.226 54.840 -0.063 0.000 0.812 291 L CB 1.655 43.675 42.059 -0.066 0.000 1.257 291 L HN 0.567 nan 8.230 nan 0.000 0.435 292 R N 2.863 123.335 120.500 -0.047 0.000 2.476 292 R HA 0.647 4.996 4.340 0.014 0.000 0.305 292 R C -1.457 174.816 176.300 -0.046 0.000 0.965 292 R CA -0.873 55.200 56.100 -0.045 0.000 0.867 292 R CB 2.130 32.405 30.300 -0.043 0.000 1.176 292 R HN 0.241 nan 8.270 nan 0.000 0.447 293 L N 2.695 123.891 121.223 -0.045 0.000 2.333 293 L HA 0.365 4.713 4.340 0.014 0.000 0.280 293 L C -0.239 176.601 176.870 -0.050 0.000 1.004 293 L CA -0.384 54.427 54.840 -0.047 0.000 0.820 293 L CB 1.743 43.778 42.059 -0.040 0.000 1.247 293 L HN 0.510 nan 8.230 nan 0.000 0.416 294 N N 1.668 120.333 118.700 -0.059 0.000 2.514 294 N HA 0.545 5.293 4.740 0.014 0.000 0.277 294 N C -1.148 174.312 175.510 -0.084 0.000 1.126 294 N CA -0.357 52.653 53.050 -0.066 0.000 0.978 294 N CB 1.406 39.857 38.487 -0.059 0.000 1.106 294 N HN 0.229 nan 8.380 nan 0.000 0.461 295 V N 2.175 122.024 119.914 -0.108 0.000 2.443 295 V HA 0.206 4.334 4.120 0.014 0.000 0.293 295 V C -0.298 175.703 176.094 -0.154 0.000 1.021 295 V CA -0.861 61.336 62.300 -0.172 0.000 0.848 295 V CB 1.433 33.059 31.823 -0.327 0.000 0.998 295 V HN 0.603 nan 8.190 nan 0.000 0.424 296 E N 2.955 123.089 120.200 -0.109 0.000 2.301 296 E HA 0.260 4.618 4.350 0.014 0.000 0.275 296 E C 0.161 176.727 176.600 -0.057 0.000 1.030 296 E CA -0.323 56.038 56.400 -0.065 0.000 0.852 296 E CB 0.594 30.270 29.700 -0.040 0.000 1.060 296 E HN 0.758 nan 8.360 nan 0.000 0.401 297 N N 1.095 119.787 118.700 -0.014 0.000 2.707 297 N HA -0.148 4.600 4.740 0.014 0.000 0.253 297 N C -2.474 173.037 175.510 0.001 0.000 0.998 297 N CA 0.155 53.215 53.050 0.017 0.000 0.751 297 N CB -1.082 37.418 38.487 0.021 0.000 0.920 297 N HN 0.356 nan 8.380 nan 0.000 0.539 298 P HA -0.025 nan 4.420 nan 0.000 0.267 298 P C -0.332 177.005 177.300 0.062 0.000 1.200 298 P CA 0.418 63.426 63.100 -0.154 0.000 0.772 298 P CB 0.719 32.120 31.700 -0.497 0.000 0.855 299 K N 2.788 123.311 120.400 0.204 0.000 2.349 299 K HA 0.261 4.589 4.320 0.014 0.000 0.288 299 K C 0.259 177.028 176.600 0.282 0.000 1.058 299 K CA -0.331 56.074 56.287 0.197 0.000 0.953 299 K CB 0.252 32.833 32.500 0.135 0.000 0.997 299 K HN 0.448 nan 8.250 nan 0.000 0.477 300 L N 2.443 123.757 121.223 0.152 0.000 2.375 300 L HA 0.323 4.671 4.340 0.014 0.000 0.271 300 L C -0.015 176.924 176.870 0.115 0.000 1.107 300 L CA -0.879 54.044 54.840 0.139 0.000 0.806 300 L CB 0.419 42.407 42.059 -0.118 0.000 1.146 300 L HN 0.585 nan 8.230 nan 0.000 0.447 301 W N 3.009 124.323 121.300 0.025 0.000 2.417 301 W HA 0.516 5.184 4.660 0.012 0.000 0.317 301 W C -0.091 176.365 176.519 -0.105 0.000 1.121 301 W CA 0.069 57.415 57.345 0.003 0.000 1.208 301 W CB 1.382 30.893 29.460 0.086 0.000 1.253 301 W HN 0.624 nan 8.180 nan 0.000 0.533 302 S N 2.981 118.095 115.700 -0.977 0.000 2.611 302 S HA 0.610 5.088 4.470 0.014 0.000 0.268 302 S C 0.127 173.909 174.600 -1.364 0.000 1.156 302 S CA -0.379 57.276 58.200 -0.910 0.000 0.817 302 S CB 1.072 63.995 63.200 -0.462 0.000 1.122 302 S HN 1.019 nan 8.310 nan 0.000 0.466 303 A N 0.628 122.768 122.820 -1.132 0.000 2.019 303 A HA 0.003 4.331 4.320 0.014 0.000 0.219 303 A C 1.769 179.008 177.584 -0.574 0.000 1.164 303 A CA 1.666 53.100 52.037 -1.004 0.000 0.644 303 A CB -1.033 17.271 19.000 -1.160 0.000 0.805 303 A HN 0.885 nan 8.150 nan 0.000 0.449 304 E N -0.734 119.265 120.200 -0.334 0.000 2.047 304 E HA -0.016 4.342 4.350 0.014 0.000 0.191 304 E C -0.145 176.303 176.600 -0.254 0.000 0.987 304 E CA 0.835 57.110 56.400 -0.210 0.000 0.799 304 E CB -0.057 29.652 29.700 0.016 0.000 0.752 304 E HN 0.626 nan 8.360 nan 0.000 0.449 305 I N 1.570 121.964 120.570 -0.294 0.000 2.583 305 I HA 0.149 4.327 4.170 0.014 0.000 0.276 305 I C -2.479 173.400 176.117 -0.397 0.000 1.089 305 I CA -1.875 59.274 61.300 -0.252 0.000 1.103 305 I CB 2.115 40.023 38.000 -0.152 0.000 1.209 305 I HN -0.205 nan 8.210 nan 0.000 0.484 306 P HA 0.051 nan 4.420 nan 0.000 0.232 306 P C -0.536 176.709 177.300 -0.092 0.000 1.738 306 P CA -0.126 62.628 63.100 -0.576 0.000 0.948 306 P CB -0.339 31.190 31.700 -0.285 0.000 1.943 307 N N 1.599 120.281 118.700 -0.029 0.000 2.454 307 N HA 0.134 4.882 4.740 0.014 0.000 0.260 307 N C 0.126 175.839 175.510 0.338 0.000 1.218 307 N CA 0.432 53.552 53.050 0.116 0.000 0.904 307 N CB 0.821 39.373 38.487 0.109 0.000 1.065 307 N HN 0.282 nan 8.380 nan 0.000 0.462 308 L N 2.086 123.432 121.223 0.205 0.000 2.388 308 L HA 0.478 4.826 4.340 0.014 0.000 0.264 308 L C -0.872 176.085 176.870 0.144 0.000 0.998 308 L CA -0.853 54.161 54.840 0.291 0.000 0.817 308 L CB 1.338 43.536 42.059 0.232 0.000 1.338 308 L HN 0.389 nan 8.230 nan 0.000 0.414 309 Y N 0.163 120.608 120.300 0.242 0.000 2.650 309 Y HA 0.677 5.235 4.550 0.014 0.000 0.331 309 Y C -0.200 175.812 175.900 0.187 0.000 1.082 309 Y CA -0.854 57.389 58.100 0.238 0.000 1.171 309 Y CB 1.592 40.254 38.460 0.336 0.000 1.326 309 Y HN 0.380 nan 8.280 nan 0.000 0.513 310 R N 0.898 121.626 120.500 0.382 0.000 2.480 310 R HA 0.797 5.145 4.340 0.014 0.000 0.306 310 R C -1.673 174.804 176.300 0.296 0.000 0.958 310 R CA -0.517 55.732 56.100 0.248 0.000 0.861 310 R CB 1.120 31.494 30.300 0.123 0.000 1.171 310 R HN 0.734 nan 8.270 nan 0.000 0.445 311 A N 3.918 126.850 122.820 0.186 0.000 2.288 311 A HA 0.618 4.946 4.320 0.014 0.000 0.320 311 A C -1.059 176.563 177.584 0.062 0.000 1.217 311 A CA -0.644 51.481 52.037 0.147 0.000 0.840 311 A CB 1.260 20.314 19.000 0.092 0.000 1.179 311 A HN 0.486 nan 8.150 nan 0.000 0.504 312 V N 3.374 123.335 119.914 0.078 0.000 2.417 312 V HA 0.399 4.527 4.120 0.014 0.000 0.291 312 V C -0.347 175.705 176.094 -0.070 0.000 1.024 312 V CA -0.498 61.785 62.300 -0.028 0.000 0.861 312 V CB 1.650 33.473 31.823 -0.001 0.000 0.985 312 V HN 0.618 nan 8.190 nan 0.000 0.436 313 V N 4.919 124.720 119.914 -0.188 0.000 2.334 313 V HA 0.437 4.565 4.120 0.014 0.000 0.281 313 V C -0.117 175.906 176.094 -0.119 0.000 1.016 313 V CA -0.552 61.616 62.300 -0.219 0.000 0.832 313 V CB 1.314 32.827 31.823 -0.516 0.000 0.999 313 V HN 0.937 nan 8.190 nan 0.000 0.439 314 E N 3.981 124.167 120.200 -0.024 0.000 2.171 314 E HA 0.512 4.870 4.350 0.014 0.000 0.271 314 E C -1.101 175.587 176.600 0.147 0.000 0.916 314 E CA -0.917 55.518 56.400 0.059 0.000 0.774 314 E CB 2.582 32.326 29.700 0.073 0.000 1.128 314 E HN 0.443 nan 8.360 nan 0.000 0.403 315 L N 4.682 125.977 121.223 0.120 0.000 2.262 315 L HA 0.383 4.731 4.340 0.014 0.000 0.288 315 L C -0.976 175.999 176.870 0.175 0.000 1.035 315 L CA 0.099 55.010 54.840 0.119 0.000 0.820 315 L CB -0.292 41.821 42.059 0.091 0.000 1.204 315 L HN 0.698 nan 8.230 nan 0.000 0.424 316 H N 0.520 119.636 119.070 0.076 0.000 2.947 316 H HA 0.835 5.399 4.556 0.013 0.000 0.290 316 H C -0.735 174.668 175.328 0.124 0.000 1.430 316 H CA -0.454 55.641 56.048 0.078 0.000 1.189 316 H CB 0.899 30.686 29.762 0.042 0.000 1.875 316 H HN 0.459 nan 8.280 nan 0.000 0.568 317 T N -2.326 112.354 114.554 0.211 0.000 2.943 317 T HA 0.580 4.938 4.350 0.014 0.000 0.284 317 T C 1.303 176.123 174.700 0.200 0.000 1.015 317 T CA -0.389 61.821 62.100 0.185 0.000 1.042 317 T CB 1.596 70.536 68.868 0.119 0.000 1.055 317 T HN 0.943 nan 8.240 nan 0.000 0.500 318 A N 0.865 123.772 122.820 0.145 0.000 1.940 318 A HA -0.052 4.276 4.320 0.014 0.000 0.219 318 A C 1.815 179.475 177.584 0.126 0.000 1.176 318 A CA 1.474 53.588 52.037 0.129 0.000 0.631 318 A CB -0.849 18.210 19.000 0.099 0.000 0.814 318 A HN 0.899 nan 8.150 nan 0.000 0.446 319 D N -1.317 119.135 120.400 0.086 0.000 2.336 319 D HA 0.251 4.899 4.640 0.014 0.000 0.229 319 D C 1.249 177.580 176.300 0.053 0.000 1.061 319 D CA 1.073 55.102 54.000 0.049 0.000 0.875 319 D CB 0.106 40.910 40.800 0.007 0.000 0.904 319 D HN 0.628 nan 8.370 nan 0.000 0.525 320 G N 0.404 109.269 108.800 0.107 0.000 2.163 320 G HA2 -0.219 3.749 3.960 0.014 0.000 0.213 320 G HA3 -0.219 3.749 3.960 0.014 0.000 0.213 320 G C 0.491 175.426 174.900 0.058 0.000 0.991 320 G CA -0.114 45.026 45.100 0.067 0.000 0.653 320 G HN 0.261 nan 8.290 nan 0.000 0.518 321 T N 1.318 115.922 114.554 0.083 0.000 2.806 321 T HA 0.552 4.911 4.350 0.014 0.000 0.290 321 T C 0.155 174.923 174.700 0.113 0.000 0.966 321 T CA -0.239 61.900 62.100 0.064 0.000 1.060 321 T CB 1.851 70.737 68.868 0.030 0.000 0.927 321 T HN 0.531 nan 8.240 nan 0.000 0.485 322 L N 4.629 125.901 121.223 0.082 0.000 2.331 322 L HA 0.412 4.761 4.340 0.014 0.000 0.278 322 L C 0.703 177.627 176.870 0.091 0.000 1.106 322 L CA 0.331 55.234 54.840 0.104 0.000 0.824 322 L CB 0.277 42.369 42.059 0.056 0.000 1.142 322 L HN 0.716 nan 8.230 nan 0.000 0.443 323 I N 2.621 123.253 120.570 0.102 0.000 2.556 323 I HA 0.124 4.303 4.170 0.014 0.000 0.251 323 I C 0.209 176.348 176.117 0.037 0.000 1.105 323 I CA 0.481 61.822 61.300 0.067 0.000 1.436 323 I CB 0.186 38.230 38.000 0.075 0.000 1.139 323 I HN 0.817 nan 8.210 nan 0.000 0.438 324 E N -0.249 119.975 120.200 0.040 0.000 2.417 324 E HA 0.696 5.054 4.350 0.014 0.000 0.280 324 E C -1.473 175.145 176.600 0.030 0.000 1.112 324 E CA -1.109 55.304 56.400 0.021 0.000 0.863 324 E CB 1.392 31.067 29.700 -0.042 0.000 1.346 324 E HN -0.045 nan 8.360 nan 0.000 0.443 325 A N 0.834 123.690 122.820 0.060 0.000 2.475 325 A HA 0.736 5.064 4.320 0.014 0.000 0.301 325 A C -1.063 176.597 177.584 0.128 0.000 1.059 325 A CA -0.717 51.354 52.037 0.056 0.000 0.710 325 A CB 1.768 20.807 19.000 0.065 0.000 1.288 325 A HN 0.492 nan 8.150 nan 0.000 0.408 326 E N -0.513 119.695 120.200 0.014 0.000 2.378 326 E HA 0.844 5.203 4.350 0.014 0.000 0.265 326 E C -0.581 176.030 176.600 0.018 0.000 0.932 326 E CA -0.506 55.961 56.400 0.111 0.000 0.795 326 E CB 2.384 32.060 29.700 -0.039 0.000 1.296 326 E HN 1.237 nan 8.360 nan 0.000 0.438 327 A N -0.090 122.872 122.820 0.237 0.000 2.601 327 A HA 0.703 5.031 4.320 0.014 0.000 0.291 327 A C -1.169 176.597 177.584 0.302 0.000 1.075 327 A CA -0.417 51.676 52.037 0.094 0.000 0.671 327 A CB 0.742 19.666 19.000 -0.127 0.000 1.277 327 A HN 0.854 nan 8.150 nan 0.000 0.417 328 C N -0.401 119.025 119.300 0.210 0.000 3.285 328 C HA 0.807 5.275 4.460 0.014 0.000 0.325 328 C C -1.392 173.684 174.990 0.143 0.000 1.304 328 C CA -0.910 58.242 59.018 0.223 0.000 1.319 328 C CB 1.131 29.037 27.740 0.275 0.000 1.640 328 C HN 0.816 nan 8.230 nan 0.000 0.477 329 D N 1.260 121.734 120.400 0.123 0.000 2.304 329 D HA 0.530 5.178 4.640 0.014 0.000 0.250 329 D C -0.291 176.059 176.300 0.083 0.000 1.107 329 D CA 0.204 54.277 54.000 0.121 0.000 0.885 329 D CB 1.798 42.675 40.800 0.128 0.000 1.192 329 D HN 0.553 nan 8.370 nan 0.000 0.436 330 V N 1.345 121.332 119.914 0.121 0.000 2.495 330 V HA 0.660 4.788 4.120 0.014 0.000 0.298 330 V C 0.609 176.762 176.094 0.097 0.000 1.031 330 V CA -0.844 61.472 62.300 0.027 0.000 0.871 330 V CB 2.036 33.848 31.823 -0.019 0.000 0.988 330 V HN 0.603 nan 8.190 nan 0.000 0.432 331 G N 3.173 111.928 108.800 -0.074 0.000 2.437 331 G HA2 0.595 4.563 3.960 0.014 0.000 0.315 331 G HA3 0.595 4.563 3.960 0.014 0.000 0.315 331 G C -0.944 174.007 174.900 0.086 0.000 1.210 331 G CA -0.386 44.753 45.100 0.066 0.000 0.943 331 G HN 0.440 nan 8.290 nan 0.000 0.471 332 F N 4.087 124.229 119.950 0.321 0.000 2.462 332 F HA 0.401 4.936 4.527 0.013 0.000 0.360 332 F C 1.180 177.217 175.800 0.396 0.000 1.134 332 F CA -0.064 58.179 58.000 0.405 0.000 1.148 332 F CB 0.623 39.879 39.000 0.427 0.000 1.147 332 F HN 0.435 nan 8.300 nan 0.000 0.550 333 R N 3.064 123.837 120.500 0.454 0.000 2.680 333 R HA 0.442 4.790 4.340 0.014 0.000 0.269 333 R C -1.785 174.658 176.300 0.238 0.000 1.026 333 R CA -0.801 55.417 56.100 0.197 0.000 0.889 333 R CB 1.671 32.119 30.300 0.245 0.000 1.241 333 R HN 0.582 nan 8.270 nan 0.000 0.463 334 E N 2.093 122.333 120.200 0.065 0.000 2.187 334 E HA 0.470 4.829 4.350 0.014 0.000 0.268 334 E C -1.248 175.420 176.600 0.114 0.000 0.896 334 E CA -0.930 55.593 56.400 0.204 0.000 0.766 334 E CB 2.151 32.035 29.700 0.306 0.000 1.142 334 E HN 0.401 nan 8.360 nan 0.000 0.408 335 V N 5.546 125.527 119.914 0.112 0.000 2.409 335 V HA 0.570 4.698 4.120 0.014 0.000 0.291 335 V C -0.207 175.929 176.094 0.071 0.000 1.020 335 V CA -0.648 61.689 62.300 0.061 0.000 0.848 335 V CB 1.221 33.057 31.823 0.022 0.000 0.990 335 V HN 0.736 nan 8.190 nan 0.000 0.430 336 R N 4.156 124.694 120.500 0.064 0.000 2.710 336 R HA 0.727 5.075 4.340 0.014 0.000 0.270 336 R C -2.005 174.324 176.300 0.048 0.000 1.021 336 R CA -0.964 55.175 56.100 0.065 0.000 0.889 336 R CB 2.007 32.358 30.300 0.085 0.000 1.243 336 R HN 0.496 nan 8.270 nan 0.000 0.464 337 I N 1.225 121.823 120.570 0.047 0.000 2.339 337 I HA 0.343 4.522 4.170 0.014 0.000 0.290 337 I C -0.578 175.563 176.117 0.040 0.000 0.994 337 I CA -0.342 60.980 61.300 0.037 0.000 1.191 337 I CB 1.746 39.769 38.000 0.039 0.000 1.343 337 I HN 0.692 nan 8.210 nan 0.000 0.458 338 E N 5.827 126.047 120.200 0.034 0.000 2.290 338 E HA 0.271 4.629 4.350 0.014 0.000 0.274 338 E C -0.234 176.382 176.600 0.026 0.000 0.889 338 E CA -0.548 55.873 56.400 0.035 0.000 0.760 338 E CB 1.075 30.801 29.700 0.044 0.000 1.206 338 E HN 0.516 nan 8.360 nan 0.000 0.419 339 N N 2.918 121.634 118.700 0.026 0.000 2.714 339 N HA -0.232 4.516 4.740 0.014 0.000 0.250 339 N C 0.467 175.985 175.510 0.015 0.000 1.117 339 N CA 2.121 55.182 53.050 0.019 0.000 0.719 339 N CB -1.160 37.337 38.487 0.017 0.000 1.081 339 N HN 0.985 nan 8.380 nan 0.000 0.557 340 G N -2.365 106.444 108.800 0.015 0.000 2.175 340 G HA2 -0.279 3.689 3.960 0.014 0.000 0.244 340 G HA3 -0.279 3.689 3.960 0.014 0.000 0.244 340 G C -0.094 174.804 174.900 -0.002 0.000 0.982 340 G CA 0.425 45.530 45.100 0.009 0.000 0.641 340 G HN 0.432 nan 8.290 nan 0.000 0.527 341 L N 0.348 121.570 121.223 -0.002 0.000 2.346 341 L HA 0.702 5.050 4.340 0.014 0.000 0.276 341 L C 0.165 177.028 176.870 -0.012 0.000 1.006 341 L CA -1.303 53.528 54.840 -0.015 0.000 0.817 341 L CB 1.859 43.909 42.059 -0.015 0.000 1.272 341 L HN 0.109 nan 8.230 nan 0.000 0.421 342 L N 4.761 125.965 121.223 -0.032 0.000 2.325 342 L HA 0.399 4.747 4.340 0.014 0.000 0.284 342 L C -0.829 176.020 176.870 -0.035 0.000 1.089 342 L CA 0.440 55.260 54.840 -0.033 0.000 0.836 342 L CB 0.154 42.178 42.059 -0.057 0.000 1.184 342 L HN 0.383 nan 8.230 nan 0.000 0.444 343 L N 6.091 127.310 121.223 -0.007 0.000 2.329 343 L HA 0.536 4.884 4.340 0.014 0.000 0.279 343 L C -0.752 176.129 176.870 0.018 0.000 1.014 343 L CA -0.775 54.072 54.840 0.011 0.000 0.814 343 L CB 1.842 43.929 42.059 0.046 0.000 1.257 343 L HN 0.542 nan 8.230 nan 0.000 0.424 344 L N 4.130 125.376 121.223 0.038 0.000 2.325 344 L HA 0.485 4.833 4.340 0.014 0.000 0.281 344 L C -0.102 176.793 176.870 0.041 0.000 1.004 344 L CA -0.054 54.815 54.840 0.047 0.000 0.823 344 L CB 0.918 43.011 42.059 0.057 0.000 1.236 344 L HN 0.594 nan 8.230 nan 0.000 0.415 345 N N 4.153 122.739 118.700 -0.190 0.000 2.710 345 N HA -0.227 4.521 4.740 0.014 0.000 0.249 345 N C 0.937 176.142 175.510 -0.508 0.000 1.059 345 N CA 1.319 53.939 53.050 -0.716 0.000 0.720 345 N CB -1.262 36.699 38.487 -0.877 0.000 0.983 345 N HN 1.166 nan 8.380 nan 0.000 0.544 346 G N -2.036 106.740 108.800 -0.040 0.000 2.184 346 G HA2 -0.354 3.614 3.960 0.014 0.000 0.264 346 G HA3 -0.354 3.614 3.960 0.014 0.000 0.264 346 G C -0.055 174.884 174.900 0.066 0.000 0.975 346 G CA 0.907 46.078 45.100 0.117 0.000 0.642 346 G HN 0.422 nan 8.290 nan 0.000 0.536 347 K N 0.602 121.036 120.400 0.057 0.000 2.259 347 K HA 0.549 4.877 4.320 0.014 0.000 0.249 347 K C -2.816 173.767 176.600 -0.028 0.000 0.942 347 K CA -2.250 54.028 56.287 -0.016 0.000 0.816 347 K CB 2.477 34.884 32.500 -0.155 0.000 1.155 347 K HN 0.032 nan 8.250 nan 0.000 0.428 348 P HA 0.226 nan 4.420 nan 0.000 0.282 348 P C -0.062 177.182 177.300 -0.094 0.000 1.274 348 P CA -0.272 62.789 63.100 -0.066 0.000 0.770 348 P CB 0.518 32.178 31.700 -0.066 0.000 0.867 349 L N 3.283 124.445 121.223 -0.102 0.000 2.472 349 L HA 0.282 4.630 4.340 0.014 0.000 0.260 349 L C 0.659 177.449 176.870 -0.133 0.000 1.209 349 L CA -0.514 54.253 54.840 -0.122 0.000 0.817 349 L CB 0.217 42.157 42.059 -0.199 0.000 1.106 349 L HN 0.264 nan 8.230 nan 0.000 0.479 350 L N 3.210 124.369 121.223 -0.106 0.000 2.427 350 L HA 0.404 4.752 4.340 0.014 0.000 0.264 350 L C -0.541 176.277 176.870 -0.087 0.000 0.989 350 L CA -0.205 54.553 54.840 -0.137 0.000 0.865 350 L CB 0.867 42.875 42.059 -0.084 0.000 1.209 350 L HN 0.241 nan 8.230 nan 0.000 0.430 351 I N 4.765 125.211 120.570 -0.206 0.000 2.494 351 I HA 0.151 4.329 4.170 0.014 0.000 0.289 351 I C 0.624 176.699 176.117 -0.070 0.000 1.106 351 I CA 0.311 61.497 61.300 -0.189 0.000 1.369 351 I CB 0.205 37.966 38.000 -0.399 0.000 1.410 351 I HN 0.567 nan 8.210 nan 0.000 0.523 352 R N 4.773 125.325 120.500 0.087 0.000 3.171 352 R HA 0.415 4.763 4.340 0.014 0.000 0.241 352 R C 0.576 177.000 176.300 0.206 0.000 1.421 352 R CA -0.252 55.940 56.100 0.152 0.000 1.444 352 R CB 0.683 30.896 30.300 -0.144 0.000 1.247 352 R HN 0.760 nan 8.270 nan 0.000 0.636 353 G N 0.019 108.907 108.800 0.147 0.000 2.552 353 G HA2 0.584 4.552 3.960 0.014 0.000 0.324 353 G HA3 0.584 4.552 3.960 0.014 0.000 0.324 353 G C -1.306 173.900 174.900 0.510 0.000 1.217 353 G CA -0.448 44.733 45.100 0.135 0.000 0.989 353 G HN 0.221 nan 8.290 nan 0.000 0.490 354 V N -0.077 120.088 119.914 0.419 0.000 2.971 354 V HA 0.480 4.608 4.120 0.014 0.000 0.309 354 V C -1.047 175.179 176.094 0.219 0.000 1.130 354 V CA -1.216 61.223 62.300 0.231 0.000 0.964 354 V CB 2.188 33.839 31.823 -0.286 0.000 1.029 354 V HN 0.771 nan 8.190 nan 0.000 0.427 355 N N 4.154 122.912 118.700 0.097 0.000 2.529 355 N HA 0.449 5.198 4.740 0.014 0.000 0.278 355 N C -0.758 174.558 175.510 -0.323 0.000 1.146 355 N CA -0.323 52.661 53.050 -0.110 0.000 0.980 355 N CB 1.479 39.882 38.487 -0.140 0.000 1.124 355 N HN 0.622 nan 8.380 nan 0.000 0.458 356 R N 1.765 122.037 120.500 -0.380 0.000 2.515 356 R HA 0.221 4.570 4.340 0.014 0.000 0.291 356 R C -1.081 174.957 176.300 -0.436 0.000 1.046 356 R CA -0.554 55.330 56.100 -0.360 0.000 0.914 356 R CB 0.945 31.027 30.300 -0.362 0.000 1.191 356 R HN 0.595 nan 8.270 nan 0.000 0.435 357 H N 2.045 120.965 119.070 -0.250 0.000 2.488 357 H HA 0.151 4.716 4.556 0.014 0.000 0.347 357 H C -0.500 174.823 175.328 -0.008 0.000 1.174 357 H CA -0.078 55.922 56.048 -0.080 0.000 1.307 357 H CB 1.574 31.346 29.762 0.017 0.000 1.517 357 H HN 0.558 nan 8.280 nan 0.000 0.554 358 E N 1.848 122.239 120.200 0.318 0.000 1.893 358 E HA 0.087 4.445 4.350 0.014 0.000 0.269 358 E C -0.720 176.013 176.600 0.221 0.000 1.129 358 E CA -0.034 56.468 56.400 0.170 0.000 0.904 358 E CB 0.115 29.941 29.700 0.210 0.000 1.077 358 E HN 0.360 nan 8.360 nan 0.000 0.407 359 H N 1.526 120.651 119.070 0.092 0.000 2.679 359 H HA 0.302 4.866 4.556 0.014 0.000 0.360 359 H C -1.539 173.843 175.328 0.090 0.000 1.105 359 H CA -0.684 55.412 56.048 0.080 0.000 1.196 359 H CB 1.091 30.884 29.762 0.051 0.000 1.636 359 H HN 0.353 nan 8.280 nan 0.000 0.531 360 H N 5.989 124.654 119.070 -0.675 0.000 2.877 360 H HA 0.201 4.765 4.556 0.013 0.000 0.347 360 H C -2.361 172.622 175.328 -0.575 0.000 1.042 360 H CA -2.338 53.466 56.048 -0.406 0.000 1.276 360 H CB 2.633 32.291 29.762 -0.173 0.000 1.681 360 H HN 0.537 nan 8.280 nan 0.000 0.521 361 P HA -0.082 nan 4.420 nan 0.000 0.220 361 P C 1.155 178.384 177.300 -0.117 0.000 1.148 361 P CA 0.906 63.909 63.100 -0.162 0.000 0.803 361 P CB 0.728 32.357 31.700 -0.119 0.000 0.782 362 L N -2.178 119.054 121.223 0.016 0.000 2.388 362 L HA 0.142 4.490 4.340 0.014 0.000 0.209 362 L C 2.091 178.754 176.870 -0.344 0.000 1.061 362 L CA 0.656 55.375 54.840 -0.201 0.000 0.834 362 L CB -0.830 41.005 42.059 -0.373 0.000 1.029 362 L HN 0.005 nan 8.230 nan 0.000 0.473 363 H N -0.263 118.728 119.070 -0.133 0.000 2.586 363 H HA 0.312 4.876 4.556 0.013 0.000 0.273 363 H C 1.408 176.600 175.328 -0.228 0.000 0.997 363 H CA 0.222 56.105 56.048 -0.274 0.000 1.177 363 H CB 0.627 30.107 29.762 -0.470 0.000 1.471 363 H HN 0.384 nan 8.280 nan 0.000 0.538 364 G N 1.400 110.094 108.800 -0.176 0.000 2.588 364 G HA2 -0.361 3.607 3.960 0.014 0.000 0.273 364 G HA3 -0.361 3.607 3.960 0.014 0.000 0.273 364 G C 0.546 175.338 174.900 -0.181 0.000 1.211 364 G CA 0.225 45.174 45.100 -0.252 0.000 0.958 364 G HN 0.434 nan 8.290 nan 0.000 0.543 365 Q N -0.035 119.692 119.800 -0.121 0.000 2.188 365 Q HA 0.481 4.830 4.340 0.014 0.000 0.212 365 Q C 0.118 176.204 176.000 0.143 0.000 0.846 365 Q CA -0.161 55.622 55.803 -0.034 0.000 0.989 365 Q CB 1.450 30.064 28.738 -0.207 0.000 1.114 365 Q HN 0.368 nan 8.270 nan 0.000 0.488 366 V N 1.963 121.934 119.914 0.095 0.000 2.461 366 V HA 0.202 4.330 4.120 0.014 0.000 0.275 366 V C 0.169 176.306 176.094 0.072 0.000 1.047 366 V CA 0.075 62.439 62.300 0.107 0.000 0.955 366 V CB 1.018 32.832 31.823 -0.014 0.000 0.988 366 V HN 0.334 nan 8.190 nan 0.000 0.471 367 M N 4.627 124.278 119.600 0.085 0.000 2.472 367 M HA 0.487 4.975 4.480 0.014 0.000 0.331 367 M C -0.482 175.787 176.300 -0.051 0.000 1.170 367 M CA -0.694 54.621 55.300 0.025 0.000 1.009 367 M CB 1.588 34.172 32.600 -0.028 0.000 1.672 367 M HN 0.943 nan 8.290 nan 0.000 0.453 368 D N -1.270 119.110 120.400 -0.034 0.000 2.547 368 D HA 0.264 4.912 4.640 0.014 0.000 0.231 368 D C 0.405 176.692 176.300 -0.022 0.000 1.099 368 D CA -0.672 53.304 54.000 -0.040 0.000 0.901 368 D CB 1.433 42.238 40.800 0.008 0.000 1.478 368 D HN 0.684 nan 8.370 nan 0.000 0.471 369 E N -0.026 120.166 120.200 -0.013 0.000 2.097 369 E HA -0.339 4.019 4.350 0.014 0.000 0.196 369 E C 1.613 178.256 176.600 0.072 0.000 1.000 369 E CA 1.312 57.731 56.400 0.031 0.000 0.804 369 E CB 0.105 29.837 29.700 0.053 0.000 0.740 369 E HN 0.605 nan 8.360 nan 0.000 0.454 370 Q N -0.357 119.489 119.800 0.076 0.000 2.084 370 Q HA -0.150 4.199 4.340 0.014 0.000 0.202 370 Q C 2.033 178.094 176.000 0.102 0.000 0.978 370 Q CA 1.946 57.804 55.803 0.092 0.000 0.844 370 Q CB -0.008 28.787 28.738 0.095 0.000 0.898 370 Q HN 0.317 nan 8.270 nan 0.000 0.426 371 T N 0.806 115.430 114.554 0.116 0.000 2.777 371 T HA -0.102 4.256 4.350 0.014 0.000 0.266 371 T C 1.883 176.654 174.700 0.118 0.000 1.040 371 T CA 1.277 63.454 62.100 0.128 0.000 1.141 371 T CB -0.113 68.864 68.868 0.182 0.000 0.868 371 T HN 0.279 nan 8.240 nan 0.000 0.444 372 M N 0.515 120.189 119.600 0.124 0.000 2.080 372 M HA -0.110 4.378 4.480 0.014 0.000 0.260 372 M C 2.458 178.871 176.300 0.189 0.000 1.068 372 M CA 1.383 56.823 55.300 0.233 0.000 1.109 372 M CB -0.652 32.118 32.600 0.284 0.000 1.342 372 M HN 0.098 nan 8.290 nan 0.000 0.405 373 V N 0.334 120.304 119.914 0.094 0.000 2.287 373 V HA -0.323 3.805 4.120 0.014 0.000 0.248 373 V C 2.354 178.431 176.094 -0.030 0.000 1.053 373 V CA 2.260 64.553 62.300 -0.012 0.000 1.027 373 V CB -0.918 30.938 31.823 0.055 0.000 0.646 373 V HN 0.573 nan 8.190 nan 0.000 0.447 374 Q N -0.350 119.479 119.800 0.049 0.000 2.096 374 Q HA -0.285 4.063 4.340 0.014 0.000 0.204 374 Q C 1.965 178.017 176.000 0.086 0.000 0.982 374 Q CA 2.289 58.133 55.803 0.069 0.000 0.850 374 Q CB -0.170 28.626 28.738 0.096 0.000 0.901 374 Q HN 0.629 nan 8.270 nan 0.000 0.422 375 D N 0.224 120.688 120.400 0.107 0.000 2.097 375 D HA -0.125 4.523 4.640 0.014 0.000 0.197 375 D C 1.944 178.186 176.300 -0.096 0.000 0.984 375 D CA 1.134 55.192 54.000 0.097 0.000 0.826 375 D CB -0.185 40.652 40.800 0.062 0.000 0.973 375 D HN 0.355 nan 8.370 nan 0.000 0.460 376 I N 0.737 121.243 120.570 -0.106 0.000 2.226 376 I HA -0.240 3.938 4.170 0.014 0.000 0.245 376 I C 2.397 178.371 176.117 -0.239 0.000 1.100 376 I CA 0.686 61.826 61.300 -0.267 0.000 1.374 376 I CB -0.128 37.583 38.000 -0.482 0.000 1.057 376 I HN -0.003 nan 8.210 nan 0.000 0.413 377 L N -0.061 121.056 121.223 -0.176 0.000 2.046 377 L HA -0.217 4.131 4.340 0.014 0.000 0.208 377 L C 2.531 179.452 176.870 0.084 0.000 1.077 377 L CA 1.350 56.173 54.840 -0.028 0.000 0.747 377 L CB -0.604 41.467 42.059 0.021 0.000 0.896 377 L HN 0.295 nan 8.230 nan 0.000 0.432 378 L N -0.918 120.370 121.223 0.108 0.000 2.093 378 L HA -0.213 4.135 4.340 0.014 0.000 0.208 378 L C 2.676 179.683 176.870 0.228 0.000 1.085 378 L CA 1.218 56.203 54.840 0.241 0.000 0.755 378 L CB -0.252 42.058 42.059 0.419 0.000 0.904 378 L HN 0.282 nan 8.230 nan 0.000 0.435 379 M N -0.633 118.925 119.600 -0.070 0.000 2.086 379 M HA -0.239 4.249 4.480 0.014 0.000 0.261 379 M C 2.259 178.621 176.300 0.104 0.000 1.067 379 M CA 1.887 57.068 55.300 -0.198 0.000 1.116 379 M CB -0.279 31.959 32.600 -0.603 0.000 1.348 379 M HN 0.041 nan 8.290 nan 0.000 0.407 380 K N -0.110 120.269 120.400 -0.034 0.000 2.097 380 K HA -0.152 4.176 4.320 0.014 0.000 0.205 380 K C 1.961 178.572 176.600 0.019 0.000 1.050 380 K CA 1.195 57.384 56.287 -0.163 0.000 0.938 380 K CB -0.148 32.054 32.500 -0.496 0.000 0.718 380 K HN 0.424 nan 8.250 nan 0.000 0.442 381 Q N 0.304 120.251 119.800 0.246 0.000 2.364 381 Q HA -0.043 4.305 4.340 0.014 0.000 0.207 381 Q C 0.690 176.982 176.000 0.486 0.000 0.970 381 Q CA 0.699 56.744 55.803 0.403 0.000 0.888 381 Q CB 0.148 29.094 28.738 0.348 0.000 0.951 381 Q HN 0.250 nan 8.270 nan 0.000 0.469 382 N N 0.603 119.544 118.700 0.402 0.000 2.321 382 N HA 0.058 4.807 4.740 0.014 0.000 0.242 382 N C -0.665 174.953 175.510 0.181 0.000 1.141 382 N CA 0.030 53.310 53.050 0.383 0.000 0.864 382 N CB 0.701 39.488 38.487 0.501 0.000 1.100 382 N HN 0.156 nan 8.380 nan 0.000 0.510 383 N N 0.105 118.922 118.700 0.195 0.000 2.782 383 N HA -0.188 4.561 4.740 0.014 0.000 0.251 383 N C -0.795 174.664 175.510 -0.085 0.000 1.101 383 N CA 0.789 53.916 53.050 0.129 0.000 0.764 383 N CB -1.736 36.750 38.487 -0.002 0.000 1.122 383 N HN 0.247 nan 8.380 nan 0.000 0.561 384 F N 1.158 121.129 119.950 0.035 0.000 2.375 384 F HA 0.308 4.843 4.527 0.013 0.000 0.333 384 F C 1.792 177.587 175.800 -0.009 0.000 1.104 384 F CA -0.481 57.518 58.000 -0.002 0.000 1.149 384 F CB 0.733 39.705 39.000 -0.047 0.000 1.190 384 F HN 0.054 nan 8.300 nan 0.000 0.533 385 N N 0.369 119.189 118.700 0.200 0.000 2.143 385 N HA 0.445 5.193 4.740 0.014 0.000 0.229 385 N C -0.903 174.658 175.510 0.086 0.000 1.294 385 N CA -0.005 53.090 53.050 0.075 0.000 0.883 385 N CB 0.708 39.285 38.487 0.150 0.000 1.148 385 N HN 0.502 nan 8.380 nan 0.000 0.511 386 A N -0.521 122.414 122.820 0.192 0.000 2.612 386 A HA 0.755 5.083 4.320 0.014 0.000 0.293 386 A C -1.813 175.979 177.584 0.348 0.000 1.075 386 A CA -0.688 51.521 52.037 0.288 0.000 0.680 386 A CB 1.806 20.983 19.000 0.296 0.000 1.279 386 A HN 0.259 nan 8.150 nan 0.000 0.411 387 V N 1.106 121.293 119.914 0.454 0.000 2.888 387 V HA 0.782 4.911 4.120 0.014 0.000 0.309 387 V C -0.645 175.616 176.094 0.278 0.000 1.114 387 V CA -0.690 61.836 62.300 0.375 0.000 0.940 387 V CB 1.871 33.839 31.823 0.241 0.000 1.021 387 V HN 1.106 nan 8.190 nan 0.000 0.426 388 R N 4.969 125.480 120.500 0.018 0.000 2.338 388 R HA 0.478 4.826 4.340 0.014 0.000 0.317 388 R C -0.701 175.469 176.300 -0.216 0.000 0.968 388 R CA -0.471 55.442 56.100 -0.311 0.000 0.849 388 R CB 1.054 30.976 30.300 -0.629 0.000 1.128 388 R HN 0.816 nan 8.270 nan 0.000 0.448 389 C N 4.478 123.675 119.300 -0.172 0.000 3.183 389 C HA 0.111 4.579 4.460 0.014 0.000 0.545 389 C C 0.526 175.245 174.990 -0.452 0.000 1.044 389 C CA -0.455 58.411 59.018 -0.253 0.000 1.117 389 C CB -2.086 25.613 27.740 -0.068 0.000 1.393 389 C HN 0.728 nan 8.230 nan 0.000 0.611 390 S N 1.480 116.798 115.700 -0.638 0.000 2.465 390 S HA 0.180 4.658 4.470 0.014 0.000 0.280 390 S C -0.123 173.651 174.600 -1.376 0.000 1.232 390 S CA 0.145 57.714 58.200 -1.053 0.000 1.066 390 S CB 0.136 62.629 63.200 -1.179 0.000 0.929 390 S HN 0.736 nan 8.310 nan 0.000 0.494 391 H N 3.626 122.168 119.070 -0.879 0.000 2.511 391 H HA 0.311 4.875 4.556 0.013 0.000 0.228 391 H C -1.227 174.031 175.328 -0.118 0.000 1.424 391 H CA -0.354 55.531 56.048 -0.272 0.000 1.321 391 H CB -0.126 29.658 29.762 0.036 0.000 1.720 391 H HN 0.894 nan 8.280 nan 0.000 0.512 392 Y N -2.907 117.512 120.300 0.198 0.000 2.717 392 Y HA 0.377 4.935 4.550 0.014 0.000 0.345 392 Y C -3.316 172.700 175.900 0.193 0.000 1.187 392 Y CA -2.993 55.226 58.100 0.199 0.000 1.128 392 Y CB 0.037 38.619 38.460 0.204 0.000 1.360 392 Y HN -0.080 nan 8.280 nan 0.000 0.467 393 P HA 0.118 nan 4.420 nan 0.000 0.265 393 P C -0.572 177.020 177.300 0.488 0.000 1.193 393 P CA 0.296 63.647 63.100 0.418 0.000 0.765 393 P CB 0.537 32.414 31.700 0.295 0.000 0.823 394 N N 0.694 119.691 118.700 0.496 0.000 2.447 394 N HA 0.089 4.837 4.740 0.014 0.000 0.271 394 N C 0.117 175.872 175.510 0.407 0.000 1.226 394 N CA -0.607 52.653 53.050 0.351 0.000 0.980 394 N CB 0.336 38.827 38.487 0.006 0.000 1.206 394 N HN 0.593 nan 8.380 nan 0.000 0.558 395 H N 2.246 121.422 119.070 0.177 0.000 3.001 395 H HA -0.000 4.564 4.556 0.013 0.000 0.334 395 H C -1.620 173.866 175.328 0.264 0.000 1.034 395 H CA -0.898 55.238 56.048 0.146 0.000 1.420 395 H CB 0.975 30.784 29.762 0.079 0.000 1.405 395 H HN 0.439 nan 8.280 nan 0.000 0.593 396 P HA -0.229 nan 4.420 nan 0.000 0.217 396 P C 1.822 179.444 177.300 0.536 0.000 1.151 396 P CA 0.831 64.183 63.100 0.420 0.000 0.849 396 P CB 0.220 32.020 31.700 0.166 0.000 0.787 397 L N -0.966 120.657 121.223 0.666 0.000 2.191 397 L HA -0.062 4.286 4.340 0.014 0.000 0.212 397 L C 2.414 179.448 176.870 0.274 0.000 1.103 397 L CA 1.372 56.441 54.840 0.382 0.000 0.769 397 L CB -1.510 40.682 42.059 0.222 0.000 0.908 397 L HN 0.044 nan 8.230 nan 0.000 0.438 398 W N -0.650 120.668 121.300 0.030 0.000 2.342 398 W HA -0.311 4.357 4.660 0.013 0.000 0.297 398 W C 2.005 178.370 176.519 -0.255 0.000 1.213 398 W CA 1.699 58.931 57.345 -0.188 0.000 1.251 398 W CB -0.303 28.939 29.460 -0.364 0.000 1.136 398 W HN 0.269 nan 8.180 nan 0.000 0.526 399 Y N 0.768 120.983 120.300 -0.143 0.000 2.242 399 Y HA -0.216 4.342 4.550 0.013 0.000 0.291 399 Y C 2.856 178.509 175.900 -0.410 0.000 1.137 399 Y CA 2.169 59.962 58.100 -0.513 0.000 1.181 399 Y CB -1.171 36.636 38.460 -1.087 0.000 0.989 399 Y HN -0.232 nan 8.280 nan 0.000 0.527 400 T N 0.703 115.263 114.554 0.010 0.000 2.708 400 T HA -0.173 4.185 4.350 0.014 0.000 0.266 400 T C 1.991 176.726 174.700 0.057 0.000 1.037 400 T CA 1.462 63.647 62.100 0.142 0.000 1.146 400 T CB -0.555 68.446 68.868 0.221 0.000 0.865 400 T HN 0.231 nan 8.240 nan 0.000 0.435 401 L N 0.315 121.527 121.223 -0.018 0.000 2.056 401 L HA -0.097 4.251 4.340 0.014 0.000 0.207 401 L C 2.916 179.756 176.870 -0.051 0.000 1.078 401 L CA 0.918 55.772 54.840 0.022 0.000 0.749 401 L CB -0.713 41.319 42.059 -0.044 0.000 0.901 401 L HN 0.378 nan 8.230 nan 0.000 0.433 402 C N -0.140 118.955 119.300 -0.341 0.000 2.429 402 C HA -0.153 4.315 4.460 0.014 0.000 0.277 402 C C 2.423 177.441 174.990 0.046 0.000 1.262 402 C CA 0.505 59.344 59.018 -0.299 0.000 1.733 402 C CB -0.798 26.649 27.740 -0.489 0.000 2.010 402 C HN 0.542 nan 8.230 nan 0.000 0.483 403 D N 0.344 120.786 120.400 0.070 0.000 2.144 403 D HA -0.100 4.548 4.640 0.014 0.000 0.199 403 D C 2.386 178.900 176.300 0.357 0.000 0.984 403 D CA 1.205 55.339 54.000 0.223 0.000 0.834 403 D CB -0.324 40.566 40.800 0.149 0.000 0.955 403 D HN 0.547 nan 8.370 nan 0.000 0.465 404 R N -1.170 119.434 120.500 0.174 0.000 2.112 404 R HA 0.054 4.402 4.340 0.014 0.000 0.216 404 R C 1.960 178.249 176.300 -0.018 0.000 1.080 404 R CA 0.424 56.564 56.100 0.067 0.000 0.996 404 R CB -0.091 30.180 30.300 -0.047 0.000 0.902 404 R HN 0.263 nan 8.270 nan 0.000 0.449 405 Y N 0.048 120.351 120.300 0.006 0.000 2.490 405 Y HA 0.194 4.752 4.550 0.013 0.000 0.285 405 Y C 0.913 176.733 175.900 -0.133 0.000 1.117 405 Y CA 0.661 58.737 58.100 -0.039 0.000 1.262 405 Y CB 0.826 39.240 38.460 -0.076 0.000 1.043 405 Y HN 0.218 nan 8.280 nan 0.000 0.553 406 G N 1.338 110.159 108.800 0.036 0.000 2.830 406 G HA2 -0.160 3.808 3.960 0.014 0.000 0.298 406 G HA3 -0.160 3.808 3.960 0.014 0.000 0.298 406 G C -1.186 173.557 174.900 -0.261 0.000 1.031 406 G CA -0.547 44.446 45.100 -0.178 0.000 1.179 406 G HN 0.167 nan 8.290 nan 0.000 0.527 407 L N 1.134 122.281 121.223 -0.128 0.000 2.455 407 L HA 0.502 4.850 4.340 0.014 0.000 0.264 407 L C -0.006 176.867 176.870 0.005 0.000 0.968 407 L CA -1.314 53.415 54.840 -0.185 0.000 0.827 407 L CB 1.991 43.961 42.059 -0.148 0.000 1.317 407 L HN 0.476 nan 8.230 nan 0.000 0.407 408 Y N 1.773 122.202 120.300 0.215 0.000 2.359 408 Y HA 0.371 4.931 4.550 0.016 0.000 0.330 408 Y C 0.212 176.243 175.900 0.218 0.000 1.143 408 Y CA -0.634 57.629 58.100 0.271 0.000 1.318 408 Y CB 1.210 39.807 38.460 0.229 0.000 1.234 408 Y HN 0.151 nan 8.280 nan 0.000 0.522 409 V N 4.280 124.386 119.914 0.319 0.000 2.555 409 V HA 0.329 4.457 4.120 0.014 0.000 0.302 409 V C -0.582 175.602 176.094 0.151 0.000 1.038 409 V CA -1.002 61.428 62.300 0.218 0.000 0.887 409 V CB 1.935 33.849 31.823 0.152 0.000 0.991 409 V HN 0.459 nan 8.190 nan 0.000 0.434 410 V N 3.295 123.271 119.914 0.103 0.000 2.328 410 V HA 0.337 4.465 4.120 0.014 0.000 0.278 410 V C -0.371 175.767 176.094 0.073 0.000 1.021 410 V CA -0.374 61.934 62.300 0.014 0.000 0.838 410 V CB 1.483 33.205 31.823 -0.167 0.000 0.999 410 V HN 0.890 nan 8.190 nan 0.000 0.447 411 D N 4.198 124.677 120.400 0.131 0.000 2.249 411 D HA 0.321 4.970 4.640 0.014 0.000 0.246 411 D C -0.253 176.237 176.300 0.316 0.000 1.114 411 D CA -0.090 54.082 54.000 0.287 0.000 0.854 411 D CB 1.350 42.361 40.800 0.352 0.000 1.132 411 D HN 0.680 nan 8.370 nan 0.000 0.461 412 E N 1.980 122.332 120.200 0.253 0.000 2.210 412 E HA 0.620 4.978 4.350 0.014 0.000 0.266 412 E C -1.048 175.688 176.600 0.226 0.000 0.883 412 E CA -1.059 55.474 56.400 0.221 0.000 0.761 412 E CB 1.351 31.135 29.700 0.139 0.000 1.156 412 E HN 0.461 nan 8.360 nan 0.000 0.412 413 A N 3.838 126.783 122.820 0.208 0.000 2.445 413 A HA 0.067 4.395 4.320 0.014 0.000 0.242 413 A C 0.274 177.982 177.584 0.207 0.000 1.075 413 A CA -0.211 51.929 52.037 0.172 0.000 0.777 413 A CB 0.130 19.194 19.000 0.107 0.000 1.013 413 A HN 0.710 nan 8.150 nan 0.000 0.493 414 N N 1.266 120.097 118.700 0.218 0.000 3.050 414 N HA 0.302 5.050 4.740 0.014 0.000 0.289 414 N C -1.084 174.557 175.510 0.218 0.000 1.209 414 N CA 0.202 53.416 53.050 0.274 0.000 1.154 414 N CB -0.781 37.874 38.487 0.280 0.000 1.444 414 N HN 0.469 nan 8.380 nan 0.000 0.529 415 I N 1.050 121.743 120.570 0.205 0.000 2.529 415 I HA 0.260 4.438 4.170 0.014 0.000 0.284 415 I C -0.696 175.525 176.117 0.174 0.000 1.088 415 I CA -0.587 60.816 61.300 0.172 0.000 1.062 415 I CB 1.747 39.820 38.000 0.122 0.000 1.218 415 I HN 0.289 nan 8.210 nan 0.000 0.442 416 E N 4.297 124.598 120.200 0.167 0.000 2.278 416 E HA 0.417 4.775 4.350 0.014 0.000 0.272 416 E C -0.613 176.061 176.600 0.123 0.000 0.890 416 E CA -0.515 55.957 56.400 0.121 0.000 0.770 416 E CB 1.704 31.454 29.700 0.084 0.000 1.212 416 E HN 0.571 nan 8.360 nan 0.000 0.415 417 T N 0.648 115.266 114.554 0.107 0.000 3.448 417 T HA 0.168 4.526 4.350 0.014 0.000 0.271 417 T C 0.830 175.594 174.700 0.106 0.000 1.002 417 T CA -0.341 61.848 62.100 0.148 0.000 0.995 417 T CB -0.283 68.652 68.868 0.111 0.000 1.153 417 T HN 0.667 nan 8.240 nan 0.000 0.510 418 H N 1.214 120.212 119.070 -0.120 0.000 2.353 418 H HA -0.038 4.526 4.556 0.014 0.000 0.298 418 H C 2.354 177.568 175.328 -0.190 0.000 1.103 418 H CA 1.327 57.276 56.048 -0.165 0.000 1.293 418 H CB -0.199 29.433 29.762 -0.217 0.000 1.372 418 H HN 0.582 nan 8.280 nan 0.000 0.501 419 G N 0.368 109.023 108.800 -0.243 0.000 2.625 419 G HA2 -0.079 3.890 3.960 0.014 0.000 0.214 419 G HA3 -0.079 3.890 3.960 0.014 0.000 0.214 419 G C 0.534 175.551 174.900 0.195 0.000 1.132 419 G CA -0.052 44.921 45.100 -0.212 0.000 0.782 419 G HN 0.165 nan 8.290 nan 0.000 0.538 420 M N 0.244 120.006 119.600 0.269 0.000 2.198 420 M HA 0.330 4.818 4.480 0.014 0.000 0.315 420 M C -0.391 175.955 176.300 0.075 0.000 1.134 420 M CA -0.189 55.220 55.300 0.182 0.000 1.171 420 M CB 1.364 34.021 32.600 0.096 0.000 1.413 420 M HN -0.208 nan 8.290 nan 0.000 0.467 421 V N 3.513 123.449 119.914 0.035 0.000 2.482 421 V HA 0.367 4.495 4.120 0.014 0.000 0.295 421 V C -1.966 174.125 176.094 -0.005 0.000 1.026 421 V CA -1.270 61.036 62.300 0.009 0.000 0.856 421 V CB 1.874 33.697 31.823 -0.000 0.000 1.001 421 V HN 0.736 nan 8.190 nan 0.000 0.424 422 P HA 0.251 nan 4.420 nan 0.000 0.277 422 P C 0.995 178.301 177.300 0.011 0.000 1.276 422 P CA -0.509 62.590 63.100 -0.001 0.000 0.788 422 P CB 1.019 32.718 31.700 -0.002 0.000 1.114 423 M N 0.388 119.999 119.600 0.019 0.000 2.279 423 M HA -0.154 4.334 4.480 0.014 0.000 0.264 423 M C 1.154 177.479 176.300 0.042 0.000 1.062 423 M CA 1.688 57.010 55.300 0.035 0.000 1.099 423 M CB -0.473 32.136 32.600 0.015 0.000 1.394 423 M HN 0.363 nan 8.290 nan 0.000 0.426 424 N N -0.096 118.627 118.700 0.038 0.000 2.313 424 N HA -0.066 4.682 4.740 0.014 0.000 0.207 424 N C 1.111 176.608 175.510 -0.022 0.000 1.141 424 N CA 0.100 53.176 53.050 0.042 0.000 0.830 424 N CB -0.713 37.816 38.487 0.069 0.000 1.008 424 N HN 0.366 nan 8.380 nan 0.000 0.481 425 R N 0.437 120.911 120.500 -0.044 0.000 2.103 425 R HA -0.023 4.325 4.340 0.014 0.000 0.242 425 R C 1.424 177.632 176.300 -0.154 0.000 1.142 425 R CA 1.337 57.387 56.100 -0.084 0.000 0.960 425 R CB -0.039 30.211 30.300 -0.084 0.000 0.858 425 R HN 0.284 nan 8.270 nan 0.000 0.439 426 L N -0.524 120.550 121.223 -0.248 0.000 2.168 426 L HA -0.025 4.323 4.340 0.014 0.000 0.203 426 L C 2.563 179.306 176.870 -0.212 0.000 1.078 426 L CA 1.372 55.953 54.840 -0.432 0.000 0.780 426 L CB -0.588 40.997 42.059 -0.790 0.000 0.939 426 L HN 0.377 nan 8.230 nan 0.000 0.451 427 T N -4.145 110.314 114.554 -0.158 0.000 3.007 427 T HA -0.184 4.174 4.350 0.014 0.000 0.270 427 T C 1.328 175.945 174.700 -0.139 0.000 1.107 427 T CA 1.317 63.309 62.100 -0.179 0.000 1.118 427 T CB -0.248 68.473 68.868 -0.245 0.000 0.889 427 T HN 0.110 nan 8.240 nan 0.000 0.506 428 D N 1.202 121.554 120.400 -0.080 0.000 2.339 428 D HA 0.089 4.737 4.640 0.014 0.000 0.217 428 D C -0.115 176.165 176.300 -0.033 0.000 1.050 428 D CA -0.120 53.842 54.000 -0.063 0.000 0.856 428 D CB -0.135 40.635 40.800 -0.050 0.000 0.922 428 D HN 0.363 nan 8.370 nan 0.000 0.518 429 D N -0.146 120.249 120.400 -0.009 0.000 2.274 429 D HA 0.108 4.756 4.640 0.014 0.000 0.239 429 D C -1.636 174.710 176.300 0.078 0.000 1.104 429 D CA -2.176 51.853 54.000 0.048 0.000 0.840 429 D CB 2.012 42.875 40.800 0.105 0.000 1.100 429 D HN -0.036 nan 8.370 nan 0.000 0.477 430 P HA -0.121 nan 4.420 nan 0.000 0.219 430 P C 0.953 178.260 177.300 0.010 0.000 1.146 430 P CA 0.779 63.888 63.100 0.016 0.000 0.808 430 P CB 0.314 32.012 31.700 -0.002 0.000 0.779 431 R N -1.757 118.759 120.500 0.027 0.000 2.237 431 R HA -0.072 4.276 4.340 0.014 0.000 0.219 431 R C 1.522 177.726 176.300 -0.160 0.000 1.080 431 R CA 1.058 57.117 56.100 -0.067 0.000 0.995 431 R CB -0.535 29.715 30.300 -0.083 0.000 0.875 431 R HN 0.324 nan 8.270 nan 0.000 0.462 432 W N -0.056 121.190 121.300 -0.090 0.000 3.278 432 W HA 0.139 4.807 4.660 0.013 0.000 0.308 432 W C 1.479 177.940 176.519 -0.097 0.000 1.253 432 W CA -0.503 56.788 57.345 -0.090 0.000 1.759 432 W CB 0.063 29.468 29.460 -0.091 0.000 1.093 432 W HN 0.009 nan 8.180 nan 0.000 0.648 433 L N 2.053 123.302 121.223 0.043 0.000 2.042 433 L HA -0.057 4.292 4.340 0.014 0.000 0.210 433 L C -0.708 176.126 176.870 -0.060 0.000 1.076 433 L CA 2.271 57.099 54.840 -0.020 0.000 0.749 433 L CB -1.572 40.465 42.059 -0.036 0.000 0.893 433 L HN -0.232 nan 8.230 nan 0.000 0.432 434 P HA -0.127 nan 4.420 nan 0.000 0.215 434 P C 1.600 178.843 177.300 -0.096 0.000 1.157 434 P CA 2.091 65.127 63.100 -0.106 0.000 0.863 434 P CB -0.194 31.433 31.700 -0.120 0.000 0.787 435 A N -1.080 121.694 122.820 -0.077 0.000 1.902 435 A HA -0.189 4.139 4.320 0.014 0.000 0.217 435 A C 2.230 179.822 177.584 0.015 0.000 1.181 435 A CA 1.814 53.837 52.037 -0.024 0.000 0.623 435 A CB -1.455 17.553 19.000 0.013 0.000 0.818 435 A HN 0.094 nan 8.150 nan 0.000 0.443 436 M N 0.290 119.911 119.600 0.035 0.000 2.117 436 M HA -0.163 4.325 4.480 0.014 0.000 0.262 436 M C 2.583 178.830 176.300 -0.088 0.000 1.065 436 M CA 1.783 57.082 55.300 -0.002 0.000 1.114 436 M CB -0.441 32.139 32.600 -0.034 0.000 1.361 436 M HN 0.684 nan 8.290 nan 0.000 0.408 437 S N 0.500 116.118 115.700 -0.136 0.000 2.374 437 S HA -0.227 4.251 4.470 0.014 0.000 0.227 437 S C 1.576 176.004 174.600 -0.288 0.000 1.037 437 S CA 1.777 59.828 58.200 -0.249 0.000 1.024 437 S CB -0.712 62.321 63.200 -0.279 0.000 0.861 437 S HN 0.553 nan 8.310 nan 0.000 0.456 438 E N 0.956 121.038 120.200 -0.197 0.000 2.204 438 E HA -0.058 4.300 4.350 0.014 0.000 0.194 438 E C 2.422 178.932 176.600 -0.151 0.000 0.989 438 E CA 0.818 57.107 56.400 -0.185 0.000 0.824 438 E CB -0.131 29.497 29.700 -0.120 0.000 0.756 438 E HN 0.592 nan 8.360 nan 0.000 0.477 439 R N 0.128 120.569 120.500 -0.098 0.000 2.115 439 R HA -0.071 4.277 4.340 0.014 0.000 0.230 439 R C 2.223 178.478 176.300 -0.075 0.000 1.111 439 R CA 0.719 56.793 56.100 -0.042 0.000 0.976 439 R CB 0.011 30.328 30.300 0.028 0.000 0.870 439 R HN 0.022 nan 8.270 nan 0.000 0.445 440 V N 0.151 119.973 119.914 -0.154 0.000 2.374 440 V HA -0.175 3.953 4.120 0.014 0.000 0.241 440 V C 2.500 178.403 176.094 -0.318 0.000 1.034 440 V CA 2.111 64.296 62.300 -0.192 0.000 1.037 440 V CB -0.330 31.372 31.823 -0.202 0.000 0.682 440 V HN 0.504 nan 8.190 nan 0.000 0.463 441 T N -0.635 113.606 114.554 -0.522 0.000 2.746 441 T HA -0.250 4.108 4.350 0.014 0.000 0.267 441 T C 1.928 176.457 174.700 -0.285 0.000 1.039 441 T CA 1.489 63.199 62.100 -0.650 0.000 1.142 441 T CB -0.427 67.868 68.868 -0.954 0.000 0.866 441 T HN 0.395 nan 8.240 nan 0.000 0.444 442 R N 0.263 120.623 120.500 -0.232 0.000 2.148 442 R HA 0.200 4.548 4.340 0.014 0.000 0.227 442 R C 2.636 178.851 176.300 -0.142 0.000 1.103 442 R CA 1.357 57.359 56.100 -0.163 0.000 0.983 442 R CB -0.443 29.771 30.300 -0.143 0.000 0.874 442 R HN 0.503 nan 8.270 nan 0.000 0.451 443 M N 0.499 120.021 119.600 -0.130 0.000 2.156 443 M HA -0.114 4.374 4.480 0.014 0.000 0.264 443 M C 1.780 177.992 176.300 -0.145 0.000 1.067 443 M CA 1.576 56.830 55.300 -0.077 0.000 1.131 443 M CB 0.166 32.766 32.600 -0.000 0.000 1.368 443 M HN -0.030 nan 8.290 nan 0.000 0.416 444 V N 1.193 120.913 119.914 -0.323 0.000 2.343 444 V HA -0.274 3.854 4.120 0.014 0.000 0.247 444 V C 2.261 178.236 176.094 -0.199 0.000 1.051 444 V CA 1.946 63.935 62.300 -0.519 0.000 1.036 444 V CB -0.976 30.511 31.823 -0.561 0.000 0.654 444 V HN 0.586 nan 8.190 nan 0.000 0.451 445 Q N -0.533 119.186 119.800 -0.135 0.000 2.226 445 Q HA -0.231 4.117 4.340 0.014 0.000 0.204 445 Q C 2.428 178.331 176.000 -0.162 0.000 0.975 445 Q CA 1.563 57.292 55.803 -0.123 0.000 0.866 445 Q CB -0.176 28.511 28.738 -0.084 0.000 0.915 445 Q HN 0.554 nan 8.270 nan 0.000 0.440 446 R N 0.289 120.690 120.500 -0.165 0.000 2.090 446 R HA -0.075 4.273 4.340 0.014 0.000 0.219 446 R C 0.676 176.896 176.300 -0.132 0.000 1.100 446 R CA 1.180 57.159 56.100 -0.202 0.000 0.991 446 R CB 0.425 30.611 30.300 -0.189 0.000 0.893 446 R HN 0.124 nan 8.270 nan 0.000 0.443 447 D N 0.164 120.546 120.400 -0.030 0.000 2.360 447 D HA -0.031 4.618 4.640 0.014 0.000 0.210 447 D C 1.493 177.892 176.300 0.165 0.000 1.047 447 D CA 0.234 54.268 54.000 0.057 0.000 0.854 447 D CB 0.119 40.919 40.800 0.001 0.000 0.936 447 D HN 0.358 nan 8.370 nan 0.000 0.514 448 R N 0.747 121.362 120.500 0.192 0.000 2.200 448 R HA -0.052 4.296 4.340 0.014 0.000 0.234 448 R C 0.767 177.065 176.300 -0.004 0.000 1.127 448 R CA 1.017 57.233 56.100 0.193 0.000 0.989 448 R CB -0.307 30.051 30.300 0.096 0.000 0.869 448 R HN -0.037 nan 8.270 nan 0.000 0.459 449 N N 0.150 118.776 118.700 -0.123 0.000 2.280 449 N HA 0.009 4.757 4.740 0.014 0.000 0.192 449 N C -0.503 174.875 175.510 -0.221 0.000 1.109 449 N CA 0.201 53.151 53.050 -0.166 0.000 0.855 449 N CB 0.113 38.485 38.487 -0.193 0.000 0.974 449 N HN 0.291 nan 8.380 nan 0.000 0.482 450 H N 1.340 120.343 119.070 -0.113 0.000 2.690 450 H HA 0.097 4.661 4.556 0.013 0.000 0.314 450 H C -1.193 173.974 175.328 -0.269 0.000 1.069 450 H CA -1.119 54.842 56.048 -0.145 0.000 1.436 450 H CB 1.529 31.234 29.762 -0.095 0.000 1.462 450 H HN 0.054 nan 8.280 nan 0.000 0.511 451 P HA -0.138 nan 4.420 nan 0.000 0.219 451 P C 1.421 178.226 177.300 -0.826 0.000 1.150 451 P CA 1.085 63.804 63.100 -0.634 0.000 0.814 451 P CB 0.261 31.330 31.700 -1.052 0.000 0.787 452 S N -0.771 114.548 115.700 -0.636 0.000 2.442 452 S HA -0.041 4.438 4.470 0.014 0.000 0.236 452 S C 1.096 175.644 174.600 -0.087 0.000 1.007 452 S CA 0.332 58.316 58.200 -0.360 0.000 0.965 452 S CB -1.512 61.659 63.200 -0.048 0.000 0.773 452 S HN -0.070 nan 8.310 nan 0.000 0.504 453 V N 3.583 123.420 119.914 -0.128 0.000 2.446 453 V HA 0.218 4.347 4.120 0.014 0.000 0.276 453 V C 1.105 177.053 176.094 -0.243 0.000 1.030 453 V CA 0.065 62.261 62.300 -0.173 0.000 1.033 453 V CB 0.352 31.967 31.823 -0.346 0.000 0.993 453 V HN 0.637 nan 8.190 nan 0.000 0.477 454 I N 2.560 123.044 120.570 -0.144 0.000 4.323 454 I HA 0.522 4.700 4.170 0.014 0.000 0.328 454 I C 0.358 176.366 176.117 -0.183 0.000 1.310 454 I CA 0.468 61.697 61.300 -0.118 0.000 1.186 454 I CB 0.519 38.535 38.000 0.026 0.000 1.130 454 I HN 0.326 nan 8.210 nan 0.000 0.411 455 I N 0.235 120.671 120.570 -0.222 0.000 2.692 455 I HA 0.348 4.526 4.170 0.014 0.000 0.293 455 I C -1.590 174.433 176.117 -0.157 0.000 1.200 455 I CA -0.362 60.851 61.300 -0.145 0.000 1.036 455 I CB 2.197 40.202 38.000 0.009 0.000 1.258 455 I HN 0.032 nan 8.210 nan 0.000 0.421 456 W N 4.000 125.346 121.300 0.077 0.000 2.438 456 W HA 0.614 5.281 4.660 0.011 0.000 0.324 456 W C 0.387 176.967 176.519 0.101 0.000 1.119 456 W CA -0.605 56.791 57.345 0.084 0.000 1.221 456 W CB 1.729 31.234 29.460 0.074 0.000 1.253 456 W HN 0.301 nan 8.180 nan 0.000 0.555 457 S N 2.706 118.632 115.700 0.375 0.000 2.500 457 S HA 0.373 4.851 4.470 0.014 0.000 0.301 457 S C 0.313 175.071 174.600 0.263 0.000 1.092 457 S CA -0.710 57.659 58.200 0.281 0.000 1.030 457 S CB 0.812 64.135 63.200 0.204 0.000 1.031 457 S HN 0.574 nan 8.310 nan 0.000 0.483 458 L N 4.155 125.520 121.223 0.235 0.000 2.622 458 L HA 0.305 4.654 4.340 0.014 0.000 0.233 458 L C 1.441 178.360 176.870 0.081 0.000 1.156 458 L CA 0.600 55.495 54.840 0.092 0.000 0.866 458 L CB -1.177 40.840 42.059 -0.070 0.000 0.980 458 L HN 0.990 nan 8.230 nan 0.000 0.448 459 G N -0.028 108.910 108.800 0.230 0.000 2.265 459 G HA2 -0.120 3.848 3.960 0.014 0.000 0.246 459 G HA3 -0.120 3.848 3.960 0.014 0.000 0.246 459 G C -1.623 173.471 174.900 0.323 0.000 1.299 459 G CA -0.416 44.831 45.100 0.243 0.000 1.117 459 G HN 0.203 nan 8.290 nan 0.000 0.485 460 N N -0.041 118.792 118.700 0.223 0.000 2.405 460 N HA 0.467 5.215 4.740 0.014 0.000 0.274 460 N C -0.468 175.003 175.510 -0.066 0.000 1.170 460 N CA 0.135 53.179 53.050 -0.011 0.000 0.848 460 N CB 1.598 39.808 38.487 -0.462 0.000 1.629 460 N HN 0.916 nan 8.380 nan 0.000 0.481 461 E N 0.755 120.824 120.200 -0.218 0.000 2.160 461 E HA -0.177 4.182 4.350 0.014 0.000 0.180 461 E C -0.814 175.706 176.600 -0.134 0.000 1.452 461 E CA 0.806 56.996 56.400 -0.351 0.000 0.683 461 E CB -1.266 28.000 29.700 -0.724 0.000 1.072 461 E HN 0.464 nan 8.360 nan 0.000 0.332 462 S N 0.020 115.786 115.700 0.111 0.000 2.952 462 S HA 0.402 4.880 4.470 0.014 0.000 0.251 462 S C 0.598 175.369 174.600 0.284 0.000 1.021 462 S CA -0.123 58.207 58.200 0.217 0.000 1.067 462 S CB 1.445 64.822 63.200 0.296 0.000 1.002 462 S HN 0.861 nan 8.310 nan 0.000 0.574 463 G N 1.936 110.829 108.800 0.154 0.000 2.645 463 G HA2 -0.253 3.715 3.960 0.014 0.000 0.246 463 G HA3 -0.253 3.715 3.960 0.014 0.000 0.246 463 G C -0.579 174.513 174.900 0.320 0.000 1.322 463 G CA -0.272 44.921 45.100 0.155 0.000 0.898 463 G HN 0.618 nan 8.290 nan 0.000 0.573 464 H N 0.486 119.669 119.070 0.189 0.000 2.800 464 H HA 0.575 5.139 4.556 0.014 0.000 0.322 464 H C 0.336 175.831 175.328 0.278 0.000 0.979 464 H CA -0.050 56.150 56.048 0.253 0.000 1.277 464 H CB 0.580 30.422 29.762 0.133 0.000 1.484 464 H HN 1.052 nan 8.280 nan 0.000 0.512 465 G N 1.588 110.491 108.800 0.171 0.000 2.537 465 G HA2 0.446 4.415 3.960 0.014 0.000 0.308 465 G HA3 0.446 4.415 3.960 0.014 0.000 0.308 465 G C 0.609 175.400 174.900 -0.182 0.000 1.237 465 G CA -0.156 44.879 45.100 -0.107 0.000 0.968 465 G HN 0.675 nan 8.290 nan 0.000 0.481 466 A N 0.596 123.324 122.820 -0.153 0.000 2.076 466 A HA -0.095 4.233 4.320 0.014 0.000 0.220 466 A C 2.118 179.680 177.584 -0.037 0.000 1.160 466 A CA 1.766 53.756 52.037 -0.079 0.000 0.653 466 A CB -0.384 18.588 19.000 -0.047 0.000 0.801 466 A HN 0.540 nan 8.150 nan 0.000 0.455 467 N N -0.237 118.404 118.700 -0.098 0.000 2.223 467 N HA -0.144 4.604 4.740 0.014 0.000 0.185 467 N C 1.361 176.809 175.510 -0.104 0.000 1.016 467 N CA 1.673 54.650 53.050 -0.121 0.000 0.863 467 N CB -0.645 37.725 38.487 -0.194 0.000 0.983 467 N HN 0.786 nan 8.380 nan 0.000 0.429 468 H N 0.293 119.355 119.070 -0.014 0.000 2.357 468 H HA -0.018 4.546 4.556 0.014 0.000 0.301 468 H C 1.251 176.652 175.328 0.122 0.000 1.082 468 H CA 1.256 57.308 56.048 0.008 0.000 1.342 468 H CB 0.175 29.969 29.762 0.053 0.000 1.389 468 H HN 0.189 nan 8.280 nan 0.000 0.511 469 D N 0.359 120.920 120.400 0.269 0.000 2.117 469 D HA -0.122 4.526 4.640 0.014 0.000 0.197 469 D C 2.305 178.753 176.300 0.248 0.000 0.987 469 D CA 1.165 55.316 54.000 0.252 0.000 0.829 469 D CB -0.389 40.526 40.800 0.193 0.000 0.961 469 D HN 0.423 nan 8.370 nan 0.000 0.460 470 A N 0.834 123.748 122.820 0.157 0.000 1.902 470 A HA -0.122 4.206 4.320 0.014 0.000 0.217 470 A C 2.415 180.105 177.584 0.178 0.000 1.181 470 A CA 0.956 53.078 52.037 0.142 0.000 0.623 470 A CB -0.728 18.314 19.000 0.069 0.000 0.818 470 A HN 0.197 nan 8.150 nan 0.000 0.443 471 L N -2.271 119.042 121.223 0.149 0.000 2.109 471 L HA -0.130 4.218 4.340 0.014 0.000 0.207 471 L C 2.557 179.567 176.870 0.233 0.000 1.086 471 L CA 1.448 56.374 54.840 0.145 0.000 0.760 471 L CB -0.715 41.361 42.059 0.027 0.000 0.910 471 L HN 0.577 nan 8.230 nan 0.000 0.437 472 Y N 1.391 121.774 120.300 0.138 0.000 2.114 472 Y HA -0.352 4.204 4.550 0.010 0.000 0.282 472 Y C 2.828 178.811 175.900 0.138 0.000 1.165 472 Y CA 1.906 60.091 58.100 0.141 0.000 1.148 472 Y CB -0.184 38.360 38.460 0.141 0.000 0.972 472 Y HN -0.024 nan 8.280 nan 0.000 0.504 473 R N -0.233 120.394 120.500 0.212 0.000 2.081 473 R HA -0.204 4.144 4.340 0.014 0.000 0.235 473 R C 2.083 178.397 176.300 0.023 0.000 1.131 473 R CA 1.997 58.153 56.100 0.094 0.000 0.960 473 R CB -1.486 28.932 30.300 0.197 0.000 0.856 473 R HN 0.639 nan 8.270 nan 0.000 0.436 474 W N 0.587 121.849 121.300 -0.062 0.000 2.333 474 W HA -0.178 4.490 4.660 0.014 0.000 0.316 474 W C 1.676 178.106 176.519 -0.149 0.000 1.215 474 W CA 2.156 59.448 57.345 -0.088 0.000 1.278 474 W CB -0.303 29.108 29.460 -0.081 0.000 1.154 474 W HN 0.089 nan 8.180 nan 0.000 0.486 475 I N 0.815 121.427 120.570 0.069 0.000 2.142 475 I HA -0.364 3.814 4.170 0.014 0.000 0.240 475 I C 2.448 178.374 176.117 -0.319 0.000 1.078 475 I CA 1.483 62.663 61.300 -0.200 0.000 1.343 475 I CB -0.802 37.128 38.000 -0.116 0.000 1.046 475 I HN -0.094 nan 8.210 nan 0.000 0.405 476 K N 0.694 120.908 120.400 -0.310 0.000 2.152 476 K HA -0.106 4.222 4.320 0.014 0.000 0.206 476 K C 2.227 178.690 176.600 -0.227 0.000 1.048 476 K CA 1.286 57.411 56.287 -0.269 0.000 0.933 476 K CB -0.427 31.876 32.500 -0.328 0.000 0.721 476 K HN 0.284 nan 8.250 nan 0.000 0.447 477 S N 0.666 116.197 115.700 -0.281 0.000 2.377 477 S HA -0.046 4.433 4.470 0.014 0.000 0.223 477 S C 2.170 176.563 174.600 -0.346 0.000 1.030 477 S CA 0.748 58.787 58.200 -0.269 0.000 0.970 477 S CB -0.048 62.990 63.200 -0.271 0.000 0.830 477 S HN 0.003 nan 8.310 nan 0.000 0.473 478 V N 1.222 120.790 119.914 -0.577 0.000 2.591 478 V HA 0.017 4.145 4.120 0.014 0.000 0.249 478 V C 0.430 176.295 176.094 -0.381 0.000 1.053 478 V CA 1.216 63.150 62.300 -0.610 0.000 1.068 478 V CB -0.211 30.908 31.823 -1.174 0.000 0.689 478 V HN 0.380 nan 8.190 nan 0.000 0.462 479 D N -1.066 119.164 120.400 -0.284 0.000 2.381 479 D HA 0.240 4.888 4.640 0.014 0.000 0.245 479 D C -2.211 174.080 176.300 -0.014 0.000 1.297 479 D CA -1.565 52.376 54.000 -0.097 0.000 0.931 479 D CB 1.621 42.440 40.800 0.031 0.000 1.334 479 D HN 0.080 nan 8.370 nan 0.000 0.535 480 P HA -0.030 nan 4.420 nan 0.000 0.237 480 P C 1.149 178.468 177.300 0.031 0.000 1.178 480 P CA 0.456 63.550 63.100 -0.011 0.000 0.766 480 P CB 0.147 31.834 31.700 -0.021 0.000 0.876 481 S N -1.211 114.518 115.700 0.048 0.000 2.489 481 S HA 0.051 4.529 4.470 0.014 0.000 0.228 481 S C 0.900 175.528 174.600 0.045 0.000 0.995 481 S CA -0.060 58.172 58.200 0.054 0.000 0.934 481 S CB -0.360 62.867 63.200 0.045 0.000 0.771 481 S HN 0.079 nan 8.310 nan 0.000 0.522 482 R N 1.221 121.759 120.500 0.064 0.000 2.628 482 R HA 0.557 4.905 4.340 0.014 0.000 0.288 482 R C -3.197 173.152 176.300 0.081 0.000 0.980 482 R CA -2.308 53.795 56.100 0.006 0.000 0.891 482 R CB 1.416 31.593 30.300 -0.205 0.000 1.188 482 R HN 0.142 nan 8.270 nan 0.000 0.450 483 P HA 0.050 nan 4.420 nan 0.000 0.270 483 P C -0.785 176.616 177.300 0.170 0.000 1.223 483 P CA -0.338 62.823 63.100 0.101 0.000 0.785 483 P CB 0.622 32.368 31.700 0.077 0.000 0.923 484 V N 2.211 122.252 119.914 0.212 0.000 2.495 484 V HA 0.391 4.520 4.120 0.014 0.000 0.298 484 V C 0.205 176.482 176.094 0.306 0.000 1.031 484 V CA -0.306 62.167 62.300 0.289 0.000 0.871 484 V CB 1.153 33.118 31.823 0.237 0.000 0.988 484 V HN 0.615 nan 8.190 nan 0.000 0.432 485 Q N 3.961 123.919 119.800 0.263 0.000 2.458 485 Q HA 0.830 5.178 4.340 0.014 0.000 0.282 485 Q C -1.802 174.356 176.000 0.262 0.000 1.106 485 Q CA -0.926 54.998 55.803 0.202 0.000 0.814 485 Q CB 3.023 31.826 28.738 0.110 0.000 1.425 485 Q HN 0.633 nan 8.270 nan 0.000 0.437 486 Y N -0.099 120.205 120.300 0.006 0.000 2.393 486 Y HA 0.136 4.694 4.550 0.012 0.000 0.320 486 Y C -0.756 175.077 175.900 -0.110 0.000 1.241 486 Y CA -0.743 57.328 58.100 -0.049 0.000 1.122 486 Y CB 1.933 40.351 38.460 -0.070 0.000 1.322 486 Y HN 0.949 nan 8.280 nan 0.000 0.441 487 E N 3.269 123.000 120.200 -0.782 0.000 2.400 487 E HA 0.160 4.518 4.350 0.014 0.000 0.195 487 E C 0.627 176.785 176.600 -0.737 0.000 1.012 487 E CA 0.687 56.724 56.400 -0.606 0.000 0.875 487 E CB 0.319 29.775 29.700 -0.405 0.000 0.859 487 E HN 0.884 nan 8.360 nan 0.000 0.498 488 G N -0.097 107.853 108.800 -1.416 0.000 2.559 488 G HA2 0.245 4.213 3.960 0.014 0.000 0.235 488 G HA3 0.245 4.213 3.960 0.014 0.000 0.235 488 G C 0.801 175.531 174.900 -0.283 0.000 1.266 488 G CA 0.263 44.921 45.100 -0.736 0.000 0.847 488 G HN 0.323 nan 8.290 nan 0.000 0.583 489 G N -0.595 108.152 108.800 -0.089 0.000 2.160 489 G HA2 0.225 4.193 3.960 0.014 0.000 0.251 489 G HA3 0.225 4.193 3.960 0.014 0.000 0.251 489 G C 1.250 176.151 174.900 0.001 0.000 1.008 489 G CA 1.034 46.152 45.100 0.029 0.000 0.724 489 G HN 2.599 nan 8.290 nan 0.000 0.514 490 G N -1.655 107.135 108.800 -0.017 0.000 2.205 490 G HA2 0.430 4.399 3.960 0.014 0.000 0.180 490 G HA3 0.430 4.399 3.960 0.014 0.000 0.180 490 G C 1.076 176.078 174.900 0.170 0.000 1.004 490 G CA 1.289 46.442 45.100 0.088 0.000 0.670 490 G HN 2.327 nan 8.290 nan 0.000 0.496 491 A N -0.183 122.623 122.820 -0.023 0.000 3.413 491 A HA -0.112 4.216 4.320 0.014 0.000 0.268 491 A C 1.050 178.570 177.584 -0.107 0.000 1.128 491 A CA 2.652 54.623 52.037 -0.109 0.000 1.062 491 A CB -1.772 17.140 19.000 -0.146 0.000 1.121 491 A HN 2.112 nan 8.150 nan 0.000 0.895 492 D N -1.120 119.295 120.400 0.025 0.000 2.785 492 D HA 0.315 4.963 4.640 0.014 0.000 0.324 492 D C 0.331 176.627 176.300 -0.008 0.000 1.523 492 D CA 0.764 54.784 54.000 0.034 0.000 0.789 492 D CB -1.170 39.798 40.800 0.281 0.000 1.171 492 D HN 0.829 nan 8.370 nan 0.000 0.447 493 T N -2.397 112.081 114.554 -0.126 0.000 2.698 493 T HA 0.224 4.582 4.350 0.014 0.000 0.295 493 T C 1.584 176.141 174.700 -0.238 0.000 1.007 493 T CA 0.402 62.352 62.100 -0.251 0.000 0.980 493 T CB 0.925 69.394 68.868 -0.665 0.000 1.036 493 T HN 0.080 nan 8.240 nan 0.000 0.526 494 T N -2.289 112.128 114.554 -0.229 0.000 3.163 494 T HA 0.203 4.561 4.350 0.014 0.000 0.260 494 T C 1.519 175.969 174.700 -0.417 0.000 1.156 494 T CA 0.282 62.258 62.100 -0.206 0.000 1.072 494 T CB -0.488 68.341 68.868 -0.064 0.000 0.937 494 T HN 0.833 nan 8.240 nan 0.000 0.528 495 A N 0.508 123.098 122.820 -0.383 0.000 2.415 495 A HA 0.503 4.831 4.320 0.014 0.000 0.248 495 A C 0.829 178.264 177.584 -0.247 0.000 1.299 495 A CA -0.299 51.499 52.037 -0.398 0.000 0.899 495 A CB 0.028 19.045 19.000 0.027 0.000 0.997 495 A HN 0.419 nan 8.150 nan 0.000 0.506 496 T N -1.453 112.956 114.554 -0.243 0.000 2.952 496 T HA 0.365 4.724 4.350 0.014 0.000 0.305 496 T C -0.587 174.137 174.700 0.040 0.000 1.064 496 T CA -0.447 61.657 62.100 0.007 0.000 1.008 496 T CB 1.248 70.109 68.868 -0.011 0.000 1.078 496 T HN 0.085 nan 8.240 nan 0.000 0.459 497 D N 2.859 123.368 120.400 0.181 0.000 2.348 497 D HA 0.262 4.910 4.640 0.014 0.000 0.211 497 D C 0.369 176.703 176.300 0.057 0.000 0.998 497 D CA 0.716 54.804 54.000 0.147 0.000 0.873 497 D CB 0.396 41.310 40.800 0.190 0.000 0.925 497 D HN 0.537 nan 8.370 nan 0.000 0.524 498 I N 0.952 121.536 120.570 0.023 0.000 2.545 498 I HA 0.255 4.433 4.170 0.014 0.000 0.292 498 I C -0.182 175.869 176.117 -0.110 0.000 1.040 498 I CA -0.901 60.377 61.300 -0.036 0.000 1.068 498 I CB 2.803 40.795 38.000 -0.013 0.000 1.251 498 I HN -0.358 nan 8.210 nan 0.000 0.424 499 I N 5.654 126.111 120.570 -0.188 0.000 2.452 499 I HA 0.059 4.237 4.170 0.014 0.000 0.287 499 I C 0.164 176.068 176.117 -0.355 0.000 1.079 499 I CA 0.012 61.102 61.300 -0.348 0.000 1.387 499 I CB 0.275 37.949 38.000 -0.544 0.000 1.404 499 I HN 0.681 nan 8.210 nan 0.000 0.522 500 C N 5.499 124.602 119.300 -0.327 0.000 3.401 500 C HA 0.451 4.919 4.460 0.014 0.000 0.204 500 C C -2.148 172.701 174.990 -0.235 0.000 1.522 500 C CA -2.242 56.635 59.018 -0.236 0.000 1.409 500 C CB -0.929 26.734 27.740 -0.128 0.000 1.967 500 C HN 0.422 nan 8.230 nan 0.000 0.496 501 P HA 0.275 nan 4.420 nan 0.000 0.272 501 P C -0.404 176.839 177.300 -0.095 0.000 1.240 501 P CA 0.416 63.413 63.100 -0.172 0.000 0.791 501 P CB 0.729 32.363 31.700 -0.110 0.000 0.978 502 M N 0.149 119.720 119.600 -0.050 0.000 2.181 502 M HA 0.439 4.927 4.480 0.014 0.000 0.323 502 M C -0.721 175.562 176.300 -0.029 0.000 1.004 502 M CA -0.663 54.504 55.300 -0.223 0.000 0.941 502 M CB 1.190 33.612 32.600 -0.296 0.000 1.579 502 M HN 0.367 nan 8.290 nan 0.000 0.427 503 Y N -0.353 120.118 120.300 0.285 0.000 4.729 503 Y HA -0.222 4.337 4.550 0.015 0.000 0.239 503 Y C 0.544 176.623 175.900 0.299 0.000 1.043 503 Y CA 0.367 58.642 58.100 0.291 0.000 2.045 503 Y CB -2.206 36.403 38.460 0.248 0.000 1.599 503 Y HN 0.980 nan 8.280 nan 0.000 0.655 504 A N 1.374 124.419 122.820 0.376 0.000 2.440 504 A HA 0.545 4.874 4.320 0.014 0.000 0.251 504 A C 0.716 178.529 177.584 0.381 0.000 1.089 504 A CA -0.394 51.866 52.037 0.372 0.000 0.779 504 A CB 0.350 19.613 19.000 0.438 0.000 1.022 504 A HN 0.410 nan 8.150 nan 0.000 0.492 505 R N 1.547 122.198 120.500 0.251 0.000 2.577 505 R HA 0.321 4.669 4.340 0.014 0.000 0.269 505 R C 0.978 177.245 176.300 -0.055 0.000 1.084 505 R CA -0.716 55.452 56.100 0.113 0.000 1.163 505 R CB 0.540 30.876 30.300 0.060 0.000 1.100 505 R HN 0.479 nan 8.270 nan 0.000 0.547 506 V N 0.679 120.395 119.914 -0.330 0.000 2.283 506 V HA -0.197 3.931 4.120 0.014 0.000 0.243 506 V C 1.019 176.993 176.094 -0.201 0.000 1.039 506 V CA 1.866 63.933 62.300 -0.388 0.000 1.016 506 V CB -0.251 31.213 31.823 -0.598 0.000 0.650 506 V HN 0.743 nan 8.190 nan 0.000 0.449 507 D N -1.343 118.972 120.400 -0.142 0.000 2.454 507 D HA 0.088 4.736 4.640 0.014 0.000 0.219 507 D C 0.959 177.242 176.300 -0.029 0.000 1.081 507 D CA 0.079 54.033 54.000 -0.077 0.000 0.867 507 D CB 0.597 41.358 40.800 -0.065 0.000 1.054 507 D HN 0.488 nan 8.370 nan 0.000 0.500 508 E N 1.811 121.999 120.200 -0.020 0.000 2.229 508 E HA 0.101 4.459 4.350 0.014 0.000 0.283 508 E C -0.792 175.811 176.600 0.005 0.000 1.030 508 E CA -0.556 55.842 56.400 -0.003 0.000 0.836 508 E CB 0.901 30.600 29.700 -0.001 0.000 1.068 508 E HN -0.187 nan 8.360 nan 0.000 0.401 509 D N 3.447 123.853 120.400 0.010 0.000 2.329 509 D HA 0.158 4.806 4.640 0.014 0.000 0.246 509 D C -0.640 175.567 176.300 -0.156 0.000 1.111 509 D CA 0.110 54.115 54.000 0.010 0.000 0.941 509 D CB 1.174 42.055 40.800 0.135 0.000 1.169 509 D HN 0.405 nan 8.370 nan 0.000 0.441 510 Q N 1.132 120.707 119.800 -0.376 0.000 2.891 510 Q HA 0.243 4.592 4.340 0.014 0.000 0.242 510 Q C -2.268 173.100 176.000 -1.053 0.000 0.959 510 Q CA -1.443 53.920 55.803 -0.734 0.000 0.707 510 Q CB 2.453 30.703 28.738 -0.814 0.000 1.283 510 Q HN 0.160 nan 8.270 nan 0.000 0.480 511 P HA 0.002 nan 4.420 nan 0.000 0.225 511 P C -0.631 176.389 177.300 -0.466 0.000 1.768 511 P CA -0.063 62.650 63.100 -0.646 0.000 0.943 511 P CB -0.585 30.970 31.700 -0.243 0.000 1.936 512 F N 2.021 121.805 119.950 -0.276 0.000 2.602 512 F HA 0.099 4.634 4.527 0.013 0.000 0.367 512 F C -1.126 174.574 175.800 -0.167 0.000 1.126 512 F CA -2.160 55.734 58.000 -0.176 0.000 1.321 512 F CB -0.533 38.373 39.000 -0.156 0.000 1.094 512 F HN 0.065 nan 8.300 nan 0.000 0.594 513 P HA 0.098 nan 4.420 nan 0.000 0.268 513 P C 0.297 177.618 177.300 0.035 0.000 1.205 513 P CA 0.969 64.094 63.100 0.041 0.000 0.771 513 P CB 1.152 32.874 31.700 0.037 0.000 0.858 514 A N 2.705 125.538 122.820 0.021 0.000 2.617 514 A HA -0.247 4.081 4.320 0.014 0.000 0.236 514 A C 0.753 178.346 177.584 0.015 0.000 0.551 514 A CA 2.002 54.053 52.037 0.024 0.000 1.144 514 A CB -2.690 16.324 19.000 0.023 0.000 1.384 514 A HN 0.737 nan 8.150 nan 0.000 0.694 515 V N -3.154 116.763 119.914 0.005 0.000 2.562 515 V HA 0.549 4.677 4.120 0.014 0.000 0.274 515 V C -2.434 173.648 176.094 -0.020 0.000 1.075 515 V CA -1.244 61.056 62.300 0.000 0.000 1.204 515 V CB 0.545 32.372 31.823 0.005 0.000 1.478 515 V HN 0.479 nan 8.190 nan 0.000 0.622 516 P HA 0.213 nan 4.420 nan 0.000 0.269 516 P C -0.555 176.311 177.300 -0.724 0.000 1.215 516 P CA 0.306 63.011 63.100 -0.659 0.000 0.780 516 P CB 0.852 31.642 31.700 -1.516 0.000 0.898 517 K N 2.419 122.465 120.400 -0.590 0.000 2.419 517 K HA 0.201 4.529 4.320 0.014 0.000 0.244 517 K C -0.372 175.953 176.600 -0.459 0.000 1.045 517 K CA -0.279 55.856 56.287 -0.255 0.000 1.004 517 K CB 0.365 32.965 32.500 0.168 0.000 1.376 517 K HN 0.467 nan 8.250 nan 0.000 0.460 518 W N 1.378 122.380 121.300 -0.498 0.000 2.126 518 W HA 0.027 4.696 4.660 0.016 0.000 0.346 518 W C 1.345 177.867 176.519 0.005 0.000 1.279 518 W CA -0.465 56.673 57.345 -0.345 0.000 1.259 518 W CB 0.436 29.522 29.460 -0.623 0.000 1.133 518 W HN 0.377 nan 8.180 nan 0.000 0.592 519 S N 3.130 118.988 115.700 0.264 0.000 2.552 519 S HA -0.071 4.407 4.470 0.014 0.000 0.289 519 S C 1.180 175.925 174.600 0.240 0.000 1.304 519 S CA -0.167 58.131 58.200 0.163 0.000 1.063 519 S CB 0.160 63.400 63.200 0.068 0.000 0.848 519 S HN 0.514 nan 8.310 nan 0.000 0.499 520 I N 2.005 122.682 120.570 0.179 0.000 2.264 520 I HA -0.163 4.015 4.170 0.014 0.000 0.248 520 I C 2.045 178.188 176.117 0.044 0.000 1.111 520 I CA 1.342 62.748 61.300 0.178 0.000 1.382 520 I CB -0.441 37.612 38.000 0.088 0.000 1.060 520 I HN 0.591 nan 8.210 nan 0.000 0.418 521 K N 1.489 121.812 120.400 -0.127 0.000 2.097 521 K HA -0.151 4.178 4.320 0.014 0.000 0.205 521 K C 2.300 178.883 176.600 -0.028 0.000 1.050 521 K CA 1.652 57.773 56.287 -0.277 0.000 0.938 521 K CB -0.193 32.053 32.500 -0.423 0.000 0.718 521 K HN 0.384 nan 8.250 nan 0.000 0.442 522 K N 0.040 120.457 120.400 0.028 0.000 2.103 522 K HA -0.161 4.167 4.320 0.014 0.000 0.204 522 K C 1.854 178.490 176.600 0.060 0.000 1.052 522 K CA 0.781 57.077 56.287 0.014 0.000 0.945 522 K CB -0.067 32.406 32.500 -0.044 0.000 0.722 522 K HN 0.212 nan 8.250 nan 0.000 0.443 523 W N 2.203 123.501 121.300 -0.004 0.000 2.318 523 W HA -0.212 4.453 4.660 0.009 0.000 0.313 523 W C 1.614 178.130 176.519 -0.006 0.000 1.221 523 W CA 1.217 58.582 57.345 0.034 0.000 1.266 523 W CB -0.679 28.867 29.460 0.144 0.000 1.150 523 W HN 0.091 nan 8.180 nan 0.000 0.496 524 L N 0.776 122.166 121.223 0.278 0.000 2.081 524 L HA -0.261 4.088 4.340 0.014 0.000 0.212 524 L C 2.178 179.122 176.870 0.124 0.000 1.080 524 L CA 2.086 57.022 54.840 0.160 0.000 0.754 524 L CB -1.081 41.057 42.059 0.132 0.000 0.893 524 L HN -0.005 nan 8.230 nan 0.000 0.433 525 S N -1.358 114.399 115.700 0.094 0.000 2.582 525 S HA 0.274 4.752 4.470 0.014 0.000 0.234 525 S C 0.535 175.133 174.600 -0.003 0.000 0.961 525 S CA -0.531 57.696 58.200 0.045 0.000 0.953 525 S CB -0.457 62.766 63.200 0.039 0.000 0.800 525 S HN 0.148 nan 8.310 nan 0.000 0.471 526 L N 1.861 123.077 121.223 -0.012 0.000 2.499 526 L HA 0.206 4.554 4.340 0.014 0.000 0.281 526 L C -2.192 174.655 176.870 -0.040 0.000 1.234 526 L CA -1.685 53.100 54.840 -0.091 0.000 0.839 526 L CB -0.337 41.648 42.059 -0.123 0.000 1.104 526 L HN 0.011 nan 8.230 nan 0.000 0.500 527 P HA -0.055 nan 4.420 nan 0.000 0.260 527 P C 0.714 178.010 177.300 -0.005 0.000 1.172 527 P CA 1.217 64.298 63.100 -0.032 0.000 0.760 527 P CB 0.448 32.123 31.700 -0.042 0.000 0.773 528 G N 1.848 110.652 108.800 0.005 0.000 2.184 528 G HA2 -0.286 3.682 3.960 0.014 0.000 0.264 528 G HA3 -0.286 3.682 3.960 0.014 0.000 0.264 528 G C 0.278 175.197 174.900 0.032 0.000 0.975 528 G CA 0.232 45.343 45.100 0.018 0.000 0.642 528 G HN 0.612 nan 8.290 nan 0.000 0.536 529 E N 0.806 121.031 120.200 0.043 0.000 2.331 529 E HA 0.618 4.976 4.350 0.014 0.000 0.272 529 E C 1.362 177.991 176.600 0.049 0.000 1.036 529 E CA 0.589 57.028 56.400 0.064 0.000 0.864 529 E CB 0.824 30.591 29.700 0.110 0.000 1.035 529 E HN 0.517 nan 8.360 nan 0.000 0.408 530 T N 0.421 115.000 114.554 0.042 0.000 3.080 530 T HA 0.329 4.687 4.350 0.014 0.000 0.280 530 T C 0.570 175.283 174.700 0.022 0.000 0.926 530 T CA -0.464 61.655 62.100 0.031 0.000 0.883 530 T CB 0.058 68.943 68.868 0.028 0.000 1.194 530 T HN 0.261 nan 8.240 nan 0.000 0.541 531 R N 2.374 122.883 120.500 0.016 0.000 2.707 531 R HA 0.434 4.783 4.340 0.014 0.000 0.270 531 R C -2.488 173.796 176.300 -0.026 0.000 1.083 531 R CA -1.640 54.458 56.100 -0.004 0.000 1.182 531 R CB 0.020 30.309 30.300 -0.017 0.000 1.084 531 R HN 0.243 nan 8.270 nan 0.000 0.528 532 P HA 0.120 nan 4.420 nan 0.000 0.276 532 P C -1.103 176.131 177.300 -0.109 0.000 1.252 532 P CA -0.198 62.865 63.100 -0.062 0.000 0.802 532 P CB 0.697 32.361 31.700 -0.061 0.000 1.035 533 L N 1.957 123.097 121.223 -0.138 0.000 2.376 533 L HA 0.563 4.911 4.340 0.014 0.000 0.275 533 L C -1.059 175.677 176.870 -0.224 0.000 0.987 533 L CA -0.617 54.102 54.840 -0.201 0.000 0.828 533 L CB 0.684 42.617 42.059 -0.209 0.000 1.249 533 L HN 0.222 nan 8.230 nan 0.000 0.409 534 I N 5.641 126.086 120.570 -0.209 0.000 2.468 534 I HA 0.269 4.447 4.170 0.014 0.000 0.285 534 I C -0.738 175.294 176.117 -0.142 0.000 1.039 534 I CA -0.601 60.566 61.300 -0.222 0.000 1.074 534 I CB 1.936 39.864 38.000 -0.121 0.000 1.228 534 I HN 0.455 nan 8.210 nan 0.000 0.436 535 L N 5.679 126.788 121.223 -0.189 0.000 2.462 535 L HA 0.022 4.371 4.340 0.014 0.000 0.272 535 L C 1.504 178.449 176.870 0.126 0.000 1.166 535 L CA -0.092 54.700 54.840 -0.078 0.000 0.880 535 L CB 0.585 42.575 42.059 -0.115 0.000 1.142 535 L HN 0.865 nan 8.230 nan 0.000 0.473 536 C N 0.276 119.621 119.300 0.075 0.000 2.446 536 C HA 0.121 4.590 4.460 0.014 0.000 0.279 536 C C 0.682 175.794 174.990 0.204 0.000 1.366 536 C CA -0.124 58.969 59.018 0.125 0.000 1.763 536 C CB -1.034 26.697 27.740 -0.015 0.000 1.929 536 C HN 0.834 nan 8.230 nan 0.000 0.509 537 E N -0.934 119.319 120.200 0.088 0.000 2.321 537 E HA 0.645 5.003 4.350 0.014 0.000 0.278 537 E C -1.252 175.305 176.600 -0.071 0.000 0.902 537 E CA -0.435 56.009 56.400 0.074 0.000 0.758 537 E CB 2.041 31.609 29.700 -0.220 0.000 1.213 537 E HN 0.676 nan 8.360 nan 0.000 0.426 538 Y N -0.965 119.328 120.300 -0.012 0.000 2.750 538 Y HA 0.636 5.195 4.550 0.016 0.000 0.335 538 Y C -0.733 175.341 175.900 0.289 0.000 1.252 538 Y CA -1.021 57.085 58.100 0.010 0.000 1.064 538 Y CB 0.785 39.091 38.460 -0.257 0.000 1.321 538 Y HN 0.640 nan 8.280 nan 0.000 0.451 539 A N 1.883 124.770 122.820 0.111 0.000 2.251 539 A HA -0.268 4.060 4.320 0.014 0.000 0.283 539 A C -0.356 177.348 177.584 0.201 0.000 1.415 539 A CA 1.122 53.220 52.037 0.102 0.000 0.742 539 A CB -2.410 16.555 19.000 -0.057 0.000 1.151 539 A HN 1.057 nan 8.150 nan 0.000 0.354 540 H N 0.858 120.081 119.070 0.254 0.000 3.138 540 H HA 0.272 4.836 4.556 0.013 0.000 0.275 540 H C 1.099 176.484 175.328 0.095 0.000 0.997 540 H CA 0.830 57.033 56.048 0.259 0.000 1.460 540 H CB 0.515 30.337 29.762 0.099 0.000 1.524 540 H HN 0.782 nan 8.280 nan 0.000 0.532 541 A N 6.559 129.260 122.820 -0.199 0.000 2.648 541 A HA 0.060 4.388 4.320 0.014 0.000 0.269 541 A C 0.929 178.363 177.584 -0.250 0.000 1.392 541 A CA -0.430 51.479 52.037 -0.213 0.000 1.019 541 A CB -0.623 18.232 19.000 -0.241 0.000 1.009 541 A HN 0.810 nan 8.150 nan 0.000 0.565 542 M N 1.369 120.812 119.600 -0.263 0.000 2.220 542 M HA 0.429 4.918 4.480 0.014 0.000 0.343 542 M C 1.044 177.231 176.300 -0.188 0.000 1.470 542 M CA 1.273 56.450 55.300 -0.205 0.000 1.161 542 M CB -0.300 32.267 32.600 -0.056 0.000 1.737 542 M HN 0.796 nan 8.290 nan 0.000 0.464 543 G N 4.366 113.030 108.800 -0.227 0.000 2.574 543 G HA2 -0.356 3.612 3.960 0.014 0.000 0.286 543 G HA3 -0.356 3.612 3.960 0.014 0.000 0.286 543 G C -0.151 174.262 174.900 -0.812 0.000 1.212 543 G CA 0.180 44.959 45.100 -0.534 0.000 0.979 543 G HN 0.848 nan 8.290 nan 0.000 0.557 544 N N 1.374 119.429 118.700 -1.074 0.000 2.421 544 N HA 0.498 5.246 4.740 0.014 0.000 0.260 544 N C -0.024 175.257 175.510 -0.382 0.000 1.173 544 N CA 1.102 53.709 53.050 -0.738 0.000 0.960 544 N CB 0.507 38.587 38.487 -0.679 0.000 1.273 544 N HN 0.831 nan 8.380 nan 0.000 0.497 545 S N 2.178 117.739 115.700 -0.232 0.000 2.880 545 S HA 0.618 5.096 4.470 0.014 0.000 0.308 545 S C -0.211 174.332 174.600 -0.094 0.000 1.195 545 S CA -0.351 57.761 58.200 -0.147 0.000 0.866 545 S CB 0.141 63.270 63.200 -0.118 0.000 1.254 545 S HN 0.352 nan 8.310 nan 0.000 0.571 546 L N 0.042 121.238 121.223 -0.045 0.000 4.793 546 L HA -0.046 4.302 4.340 0.014 0.000 0.404 546 L C 0.546 177.455 176.870 0.065 0.000 1.022 546 L CA 0.922 55.755 54.840 -0.011 0.000 1.242 546 L CB -1.774 40.188 42.059 -0.162 0.000 2.049 546 L HN 0.755 nan 8.230 nan 0.000 0.637 547 G N -0.729 108.079 108.800 0.013 0.000 2.343 547 G HA2 0.474 4.443 3.960 0.014 0.000 0.254 547 G HA3 0.474 4.443 3.960 0.014 0.000 0.254 547 G C 1.235 176.167 174.900 0.054 0.000 1.277 547 G CA 0.249 45.331 45.100 -0.030 0.000 0.909 547 G HN 1.387 nan 8.290 nan 0.000 0.502 548 G N 1.718 110.535 108.800 0.029 0.000 2.157 548 G HA2 -0.315 3.654 3.960 0.014 0.000 0.248 548 G HA3 -0.315 3.654 3.960 0.014 0.000 0.248 548 G C 0.977 176.049 174.900 0.287 0.000 0.979 548 G CA 0.725 45.898 45.100 0.123 0.000 0.650 548 G HN 0.770 nan 8.290 nan 0.000 0.529 549 F N 1.841 121.901 119.950 0.184 0.000 2.134 549 F HA 0.175 4.710 4.527 0.015 0.000 0.299 549 F C 2.687 178.693 175.800 0.343 0.000 1.097 549 F CA 2.480 60.663 58.000 0.306 0.000 1.264 549 F CB -0.416 38.704 39.000 0.200 0.000 1.001 549 F HN 0.332 nan 8.300 nan 0.000 0.479 550 A N -0.244 122.749 122.820 0.288 0.000 2.024 550 A HA -0.262 4.066 4.320 0.014 0.000 0.220 550 A C 2.283 179.895 177.584 0.047 0.000 1.164 550 A CA 1.837 53.975 52.037 0.170 0.000 0.643 550 A CB -0.844 18.255 19.000 0.166 0.000 0.806 550 A HN 0.463 nan 8.150 nan 0.000 0.451 551 K N -1.664 118.744 120.400 0.014 0.000 2.097 551 K HA -0.181 4.147 4.320 0.014 0.000 0.206 551 K C 1.704 178.083 176.600 -0.369 0.000 1.049 551 K CA 1.653 57.861 56.287 -0.132 0.000 0.933 551 K CB -0.305 32.120 32.500 -0.126 0.000 0.717 551 K HN 0.596 nan 8.250 nan 0.000 0.442 552 Y N -0.795 119.233 120.300 -0.453 0.000 2.114 552 Y HA -0.246 4.312 4.550 0.013 0.000 0.284 552 Y C 2.038 176.997 175.900 -1.569 0.000 1.143 552 Y CA 1.622 59.096 58.100 -1.043 0.000 1.135 552 Y CB -0.353 37.492 38.460 -1.026 0.000 0.980 552 Y HN 0.166 nan 8.280 nan 0.000 0.499 553 W N 0.074 120.967 121.300 -0.677 0.000 2.335 553 W HA -0.242 4.427 4.660 0.016 0.000 0.311 553 W C 2.653 179.015 176.519 -0.261 0.000 1.213 553 W CA 1.684 58.778 57.345 -0.419 0.000 1.274 553 W CB -0.790 28.502 29.460 -0.279 0.000 1.148 553 W HN 0.053 nan 8.180 nan 0.000 0.498 554 Q N 0.782 120.503 119.800 -0.133 0.000 2.135 554 Q HA -0.187 4.161 4.340 0.014 0.000 0.204 554 Q C 2.162 178.100 176.000 -0.103 0.000 0.981 554 Q CA 2.172 57.930 55.803 -0.074 0.000 0.856 554 Q CB -0.643 28.070 28.738 -0.042 0.000 0.902 554 Q HN 0.285 nan 8.270 nan 0.000 0.425 555 A N -0.193 122.475 122.820 -0.253 0.000 1.897 555 A HA -0.081 4.247 4.320 0.014 0.000 0.215 555 A C 2.056 179.608 177.584 -0.053 0.000 1.181 555 A CA 0.938 52.860 52.037 -0.192 0.000 0.620 555 A CB -1.002 17.762 19.000 -0.393 0.000 0.821 555 A HN 0.463 nan 8.150 nan 0.000 0.443 556 F N -0.356 119.414 119.950 -0.301 0.000 2.126 556 F HA -0.220 4.315 4.527 0.013 0.000 0.299 556 F C 2.780 178.471 175.800 -0.183 0.000 1.096 556 F CA 1.178 58.966 58.000 -0.353 0.000 1.255 556 F CB -0.166 38.388 39.000 -0.744 0.000 0.997 556 F HN 0.153 nan 8.300 nan 0.000 0.479 557 R N 0.018 120.560 120.500 0.070 0.000 2.090 557 R HA -0.161 4.187 4.340 0.014 0.000 0.228 557 R C 2.152 178.480 176.300 0.047 0.000 1.110 557 R CA 1.168 57.296 56.100 0.047 0.000 0.973 557 R CB -0.405 29.919 30.300 0.041 0.000 0.869 557 R HN 0.350 nan 8.270 nan 0.000 0.440 558 Q N -0.353 119.500 119.800 0.088 0.000 2.172 558 Q HA -0.080 4.268 4.340 0.014 0.000 0.200 558 Q C -0.445 175.569 176.000 0.023 0.000 0.964 558 Q CA 1.019 56.862 55.803 0.068 0.000 0.855 558 Q CB 0.328 29.142 28.738 0.127 0.000 0.918 558 Q HN 0.196 nan 8.270 nan 0.000 0.444 559 Y N 0.102 120.381 120.300 -0.034 0.000 2.385 559 Y HA 0.245 4.802 4.550 0.012 0.000 0.341 559 Y C -1.772 174.102 175.900 -0.043 0.000 0.965 559 Y CA -2.766 55.315 58.100 -0.032 0.000 1.180 559 Y CB 1.340 39.786 38.460 -0.022 0.000 1.139 559 Y HN 0.130 nan 8.280 nan 0.000 0.502 560 P HA -0.191 nan 4.420 nan 0.000 0.215 560 P C 1.161 178.463 177.300 0.004 0.000 1.157 560 P CA 1.923 65.021 63.100 -0.003 0.000 0.874 560 P CB 0.301 31.984 31.700 -0.028 0.000 0.790 561 R N -1.205 119.317 120.500 0.037 0.000 2.316 561 R HA 0.074 4.423 4.340 0.014 0.000 0.202 561 R C 0.446 176.735 176.300 -0.018 0.000 1.029 561 R CA 0.178 56.285 56.100 0.012 0.000 1.018 561 R CB -0.526 29.791 30.300 0.028 0.000 0.888 561 R HN 0.240 nan 8.270 nan 0.000 0.471 562 L N 1.972 123.205 121.223 0.017 0.000 2.334 562 L HA 0.119 4.467 4.340 0.014 0.000 0.286 562 L C 0.524 177.264 176.870 -0.217 0.000 1.108 562 L CA 0.154 54.957 54.840 -0.061 0.000 0.875 562 L CB 1.008 43.098 42.059 0.052 0.000 1.246 562 L HN 0.066 nan 8.230 nan 0.000 0.439 563 Q N 2.791 122.387 119.800 -0.339 0.000 2.211 563 Q HA 0.317 4.666 4.340 0.014 0.000 0.231 563 Q C 0.891 176.475 176.000 -0.692 0.000 0.865 563 Q CA 0.112 55.673 55.803 -0.404 0.000 0.997 563 Q CB 0.943 29.533 28.738 -0.248 0.000 1.101 563 Q HN 0.946 nan 8.270 nan 0.000 0.468 564 G N -0.316 107.677 108.800 -1.345 0.000 2.451 564 G HA2 0.080 4.048 3.960 0.014 0.000 0.208 564 G HA3 0.080 4.048 3.960 0.014 0.000 0.208 564 G C -0.233 173.803 174.900 -1.441 0.000 1.248 564 G CA -0.748 43.137 45.100 -2.024 0.000 0.989 564 G HN 0.601 nan 8.290 nan 0.000 0.559 565 G N -2.292 105.968 108.800 -0.900 0.000 2.342 565 G HA2 0.647 4.615 3.960 0.014 0.000 0.297 565 G HA3 0.647 4.615 3.960 0.014 0.000 0.297 565 G C -1.866 172.974 174.900 -0.100 0.000 1.313 565 G CA -0.263 44.544 45.100 -0.488 0.000 0.830 565 G HN 1.148 nan 8.290 nan 0.000 0.506 566 F N 0.628 120.806 119.950 0.380 0.000 2.427 566 F HA 0.525 5.060 4.527 0.012 0.000 0.348 566 F C 0.731 176.842 175.800 0.518 0.000 1.125 566 F CA -0.746 57.519 58.000 0.441 0.000 0.989 566 F CB 2.108 41.261 39.000 0.255 0.000 1.165 566 F HN 0.251 nan 8.300 nan 0.000 0.442 567 V N 3.323 123.563 119.914 0.544 0.000 2.872 567 V HA -0.133 3.995 4.120 0.014 0.000 0.307 567 V C -0.250 176.002 176.094 0.263 0.000 1.072 567 V CA -0.252 62.155 62.300 0.178 0.000 1.148 567 V CB 0.811 32.736 31.823 0.170 0.000 0.954 567 V HN 0.761 nan 8.190 nan 0.000 0.490 568 W N 6.498 127.871 121.300 0.121 0.000 2.278 568 W HA 0.451 5.119 4.660 0.013 0.000 0.317 568 W C -0.856 175.636 176.519 -0.045 0.000 1.030 568 W CA -0.659 56.770 57.345 0.140 0.000 1.334 568 W CB 1.227 30.919 29.460 0.387 0.000 1.215 568 W HN 0.924 nan 8.180 nan 0.000 0.405 569 D N 2.612 122.651 120.400 -0.602 0.000 2.812 569 D HA 0.107 4.755 4.640 0.014 0.000 0.318 569 D C 0.642 176.670 176.300 -0.453 0.000 1.234 569 D CA -0.569 52.963 54.000 -0.780 0.000 0.989 569 D CB 0.212 39.944 40.800 -1.779 0.000 1.442 569 D HN 0.388 nan 8.370 nan 0.000 0.537 570 W N 0.397 121.349 121.300 -0.580 0.000 2.413 570 W HA 0.167 4.835 4.660 0.014 0.000 0.315 570 W C -0.175 176.089 176.519 -0.425 0.000 1.186 570 W CA 1.030 58.094 57.345 -0.468 0.000 1.326 570 W CB 0.361 29.575 29.460 -0.410 0.000 1.153 570 W HN 0.163 nan 8.180 nan 0.000 0.489 571 V N 2.704 122.345 119.914 -0.456 0.000 2.656 571 V HA 0.242 4.370 4.120 0.014 0.000 0.307 571 V C -0.942 174.922 176.094 -0.385 0.000 1.051 571 V CA -0.775 61.215 62.300 -0.516 0.000 0.893 571 V CB 1.523 33.163 31.823 -0.305 0.000 0.999 571 V HN -0.111 nan 8.190 nan 0.000 0.426 572 D N 4.122 124.305 120.400 -0.362 0.000 2.493 572 D HA 0.098 4.746 4.640 0.014 0.000 0.240 572 D C 0.372 176.497 176.300 -0.292 0.000 1.142 572 D CA 0.658 54.506 54.000 -0.254 0.000 0.872 572 D CB 0.905 41.663 40.800 -0.070 0.000 1.173 572 D HN 0.614 nan 8.370 nan 0.000 0.467 573 Q N 1.205 120.760 119.800 -0.409 0.000 3.170 573 Q HA 0.115 4.463 4.340 0.014 0.000 0.346 573 Q C 0.008 175.965 176.000 -0.072 0.000 1.333 573 Q CA -0.309 55.034 55.803 -0.767 0.000 0.958 573 Q CB -0.015 28.382 28.738 -0.569 0.000 1.600 573 Q HN 0.365 nan 8.270 nan 0.000 0.482 574 S N -0.288 115.480 115.700 0.113 0.000 2.632 574 S HA 0.613 5.092 4.470 0.014 0.000 0.271 574 S C -0.097 174.693 174.600 0.318 0.000 1.260 574 S CA -0.772 57.618 58.200 0.316 0.000 1.010 574 S CB 1.369 64.733 63.200 0.274 0.000 0.965 574 S HN 0.322 nan 8.310 nan 0.000 0.534 575 L N 1.529 122.873 121.223 0.202 0.000 2.342 575 L HA 0.523 4.871 4.340 0.014 0.000 0.271 575 L C -0.426 176.371 176.870 -0.122 0.000 1.008 575 L CA -1.205 53.625 54.840 -0.016 0.000 0.818 575 L CB 1.387 43.310 42.059 -0.226 0.000 1.296 575 L HN 0.548 nan 8.230 nan 0.000 0.427 576 I N 2.335 122.776 120.570 -0.216 0.000 2.441 576 I HA 0.264 4.442 4.170 0.014 0.000 0.287 576 I C 0.185 175.910 176.117 -0.653 0.000 1.049 576 I CA 0.057 61.097 61.300 -0.433 0.000 1.381 576 I CB 0.990 38.738 38.000 -0.420 0.000 1.409 576 I HN 0.587 nan 8.210 nan 0.000 0.523 577 K N 5.104 124.836 120.400 -1.112 0.000 2.352 577 K HA 0.572 4.901 4.320 0.014 0.000 0.240 577 K C -1.547 174.250 176.600 -1.338 0.000 1.017 577 K CA -0.691 54.864 56.287 -1.220 0.000 0.851 577 K CB 2.224 33.668 32.500 -1.761 0.000 1.261 577 K HN 0.221 nan 8.250 nan 0.000 0.451 578 Y N 0.713 120.749 120.300 -0.440 0.000 2.409 578 Y HA 0.142 4.700 4.550 0.014 0.000 0.343 578 Y C 0.134 176.123 175.900 0.149 0.000 0.973 578 Y CA -1.143 56.888 58.100 -0.115 0.000 1.064 578 Y CB 1.226 39.645 38.460 -0.068 0.000 1.207 578 Y HN 0.676 nan 8.280 nan 0.000 0.452 579 D N 0.218 120.870 120.400 0.419 0.000 2.447 579 D HA 0.037 4.685 4.640 0.014 0.000 0.265 579 D C 0.771 177.182 176.300 0.186 0.000 1.250 579 D CA -0.262 53.930 54.000 0.320 0.000 1.046 579 D CB 0.638 41.555 40.800 0.196 0.000 1.095 579 D HN 0.512 nan 8.370 nan 0.000 0.555 580 E N -0.455 119.814 120.200 0.115 0.000 2.209 580 E HA -0.158 4.200 4.350 0.014 0.000 0.196 580 E C 1.210 177.849 176.600 0.065 0.000 0.993 580 E CA 0.911 57.355 56.400 0.073 0.000 0.819 580 E CB -0.293 29.432 29.700 0.042 0.000 0.745 580 E HN 0.520 nan 8.360 nan 0.000 0.477 581 N N -0.181 118.566 118.700 0.078 0.000 2.467 581 N HA -0.021 4.727 4.740 0.014 0.000 0.184 581 N C 1.302 176.859 175.510 0.078 0.000 1.106 581 N CA 0.865 53.954 53.050 0.065 0.000 0.892 581 N CB 0.858 39.380 38.487 0.058 0.000 0.969 581 N HN 0.231 nan 8.380 nan 0.000 0.454 582 G N 0.934 109.806 108.800 0.120 0.000 2.157 582 G HA2 -0.222 3.746 3.960 0.014 0.000 0.239 582 G HA3 -0.222 3.746 3.960 0.014 0.000 0.239 582 G C -0.328 174.714 174.900 0.236 0.000 0.982 582 G CA -0.436 44.740 45.100 0.128 0.000 0.650 582 G HN 0.302 nan 8.290 nan 0.000 0.527 583 N N 1.993 120.826 118.700 0.222 0.000 2.479 583 N HA 0.472 5.220 4.740 0.014 0.000 0.285 583 N C -2.531 173.111 175.510 0.220 0.000 1.075 583 N CA -1.128 52.046 53.050 0.206 0.000 0.967 583 N CB 1.964 40.535 38.487 0.141 0.000 1.137 583 N HN 0.205 nan 8.380 nan 0.000 0.472 584 P HA 0.287 nan 4.420 nan 0.000 0.278 584 P C -0.546 176.715 177.300 -0.066 0.000 1.238 584 P CA -0.382 62.575 63.100 -0.239 0.000 0.794 584 P CB 0.829 32.378 31.700 -0.251 0.000 0.955 585 W N -0.404 120.652 121.300 -0.406 0.000 3.167 585 W HA 0.431 5.099 4.660 0.013 0.000 0.324 585 W C -1.540 174.806 176.519 -0.288 0.000 1.230 585 W CA -1.087 56.031 57.345 -0.379 0.000 1.184 585 W CB 0.498 29.501 29.460 -0.761 0.000 1.414 585 W HN 0.115 nan 8.180 nan 0.000 0.551 586 S N 1.709 117.502 115.700 0.154 0.000 2.448 586 S HA 0.554 5.032 4.470 0.014 0.000 0.279 586 S C 0.185 174.980 174.600 0.324 0.000 1.195 586 S CA -0.237 58.052 58.200 0.149 0.000 1.051 586 S CB 0.741 64.077 63.200 0.226 0.000 0.948 586 S HN 0.589 nan 8.310 nan 0.000 0.493 587 A N 3.215 126.087 122.820 0.087 0.000 2.320 587 A HA 0.857 5.185 4.320 0.014 0.000 0.334 587 A C -0.602 177.259 177.584 0.462 0.000 1.147 587 A CA -0.714 51.420 52.037 0.163 0.000 0.820 587 A CB 0.584 19.405 19.000 -0.298 0.000 1.218 587 A HN 0.832 nan 8.150 nan 0.000 0.482 588 Y N -0.361 120.287 120.300 0.580 0.000 3.013 588 Y HA 0.781 5.339 4.550 0.014 0.000 0.310 588 Y C 0.696 176.994 175.900 0.664 0.000 1.450 588 Y CA -1.413 57.031 58.100 0.573 0.000 1.091 588 Y CB -0.134 38.487 38.460 0.269 0.000 1.373 588 Y HN 0.867 nan 8.280 nan 0.000 0.590 589 G N -0.262 108.963 108.800 0.708 0.000 2.321 589 G HA2 0.369 4.337 3.960 0.014 0.000 0.237 589 G HA3 0.369 4.337 3.960 0.014 0.000 0.237 589 G C 0.960 176.194 174.900 0.556 0.000 1.282 589 G CA 0.367 45.790 45.100 0.538 0.000 0.886 589 G HN 1.957 nan 8.290 nan 0.000 0.528 590 G N 2.168 111.258 108.800 0.484 0.000 2.253 590 G HA2 -0.287 3.681 3.960 0.014 0.000 0.251 590 G HA3 -0.287 3.681 3.960 0.014 0.000 0.251 590 G C 0.911 176.013 174.900 0.337 0.000 0.998 590 G CA 0.673 45.994 45.100 0.369 0.000 0.621 590 G HN 0.652 nan 8.290 nan 0.000 0.524 591 D N -0.287 120.335 120.400 0.370 0.000 2.392 591 D HA 0.154 4.803 4.640 0.014 0.000 0.228 591 D C 1.223 177.422 176.300 -0.168 0.000 1.003 591 D CA 0.500 54.566 54.000 0.109 0.000 0.917 591 D CB -0.208 40.616 40.800 0.039 0.000 0.890 591 D HN 0.489 nan 8.370 nan 0.000 0.532 592 F N -1.146 118.934 119.950 0.217 0.000 2.683 592 F HA 0.298 4.833 4.527 0.014 0.000 0.306 592 F C 1.763 177.650 175.800 0.144 0.000 1.102 592 F CA -0.169 57.915 58.000 0.140 0.000 1.244 592 F CB 0.884 39.959 39.000 0.127 0.000 1.029 592 F HN -0.048 nan 8.300 nan 0.000 0.545 593 G N 0.444 109.402 108.800 0.264 0.000 2.179 593 G HA2 -0.267 3.702 3.960 0.014 0.000 0.260 593 G HA3 -0.267 3.702 3.960 0.014 0.000 0.260 593 G C -0.250 174.784 174.900 0.223 0.000 0.977 593 G CA 0.118 45.340 45.100 0.202 0.000 0.641 593 G HN 0.381 nan 8.290 nan 0.000 0.533 594 D N 0.557 121.137 120.400 0.300 0.000 2.417 594 D HA 0.500 5.148 4.640 0.014 0.000 0.250 594 D C 0.178 176.594 176.300 0.193 0.000 1.166 594 D CA 0.958 55.120 54.000 0.269 0.000 0.881 594 D CB 1.619 42.634 40.800 0.358 0.000 1.164 594 D HN 0.425 nan 8.370 nan 0.000 0.467 595 T N 0.954 115.591 114.554 0.139 0.000 3.047 595 T HA 0.406 4.764 4.350 0.014 0.000 0.340 595 T C -2.774 171.958 174.700 0.054 0.000 1.421 595 T CA -1.170 60.982 62.100 0.087 0.000 1.090 595 T CB 1.026 69.948 68.868 0.089 0.000 1.292 595 T HN 0.215 nan 8.240 nan 0.000 0.480 596 P HA 0.458 nan 4.420 nan 0.000 0.270 596 P C -0.899 176.381 177.300 -0.032 0.000 1.223 596 P CA -0.217 62.875 63.100 -0.012 0.000 0.785 596 P CB 0.264 31.933 31.700 -0.053 0.000 0.923 597 N N -1.659 117.013 118.700 -0.047 0.000 2.732 597 N HA 0.295 5.043 4.740 0.014 0.000 0.259 597 N C -1.182 174.237 175.510 -0.152 0.000 1.402 597 N CA -0.776 52.214 53.050 -0.101 0.000 0.829 597 N CB 0.861 39.378 38.487 0.051 0.000 1.495 597 N HN 0.077 nan 8.380 nan 0.000 0.511 598 D N -0.166 120.063 120.400 -0.285 0.000 2.755 598 D HA 0.146 4.794 4.640 0.014 0.000 0.257 598 D C 0.463 176.873 176.300 0.182 0.000 1.291 598 D CA -0.128 53.783 54.000 -0.149 0.000 0.836 598 D CB 0.115 40.733 40.800 -0.303 0.000 1.059 598 D HN 0.745 nan 8.370 nan 0.000 0.486 599 R N 0.780 121.417 120.500 0.228 0.000 3.657 599 R HA -0.316 4.032 4.340 0.014 0.000 0.533 599 R C 0.944 177.276 176.300 0.053 0.000 0.241 599 R CA 1.467 57.723 56.100 0.260 0.000 1.659 599 R CB -1.509 28.862 30.300 0.117 0.000 0.920 599 R HN 0.107 nan 8.270 nan 0.000 0.599 600 Q N 1.190 120.712 119.800 -0.464 0.000 2.466 600 Q HA -0.036 4.312 4.340 0.014 0.000 0.210 600 Q C 1.472 177.328 176.000 -0.241 0.000 0.961 600 Q CA 1.196 56.589 55.803 -0.684 0.000 0.953 600 Q CB -0.044 28.126 28.738 -0.948 0.000 1.011 600 Q HN 0.579 nan 8.270 nan 0.000 0.516 601 F N 2.124 121.996 119.950 -0.131 0.000 2.494 601 F HA -0.138 4.396 4.527 0.013 0.000 0.298 601 F C 1.889 177.642 175.800 -0.078 0.000 1.106 601 F CA 0.825 58.822 58.000 -0.004 0.000 1.452 601 F CB -0.009 39.054 39.000 0.106 0.000 1.085 601 F HN 0.427 nan 8.300 nan 0.000 0.569 602 C N -1.169 117.793 119.300 -0.564 0.000 2.562 602 C HA 0.257 4.726 4.460 0.014 0.000 0.266 602 C C 1.104 175.818 174.990 -0.459 0.000 1.382 602 C CA -0.502 58.005 59.018 -0.852 0.000 1.742 602 C CB -1.803 24.901 27.740 -1.727 0.000 1.812 602 C HN 0.211 nan 8.230 nan 0.000 0.559 603 M N 2.817 122.216 119.600 -0.334 0.000 2.152 603 M HA 0.266 4.755 4.480 0.014 0.000 0.354 603 M C -0.336 175.811 176.300 -0.254 0.000 1.173 603 M CA 0.383 55.548 55.300 -0.225 0.000 1.110 603 M CB -0.133 32.407 32.600 -0.099 0.000 1.366 603 M HN 0.383 nan 8.290 nan 0.000 0.415 604 N N 1.157 119.673 118.700 -0.308 0.000 2.305 604 N HA 0.202 4.950 4.740 0.014 0.000 0.248 604 N C 0.244 175.491 175.510 -0.438 0.000 1.290 604 N CA -0.575 52.243 53.050 -0.387 0.000 0.873 604 N CB 1.234 39.501 38.487 -0.366 0.000 1.261 604 N HN 0.660 nan 8.380 nan 0.000 0.504 605 G N -0.052 108.480 108.800 -0.446 0.000 2.477 605 G HA2 0.369 4.337 3.960 0.014 0.000 0.304 605 G HA3 0.369 4.337 3.960 0.014 0.000 0.304 605 G C 0.693 175.117 174.900 -0.794 0.000 1.175 605 G CA -0.523 44.207 45.100 -0.616 0.000 0.907 605 G HN 0.098 nan 8.290 nan 0.000 0.509 606 L N -0.121 120.625 121.223 -0.795 0.000 2.341 606 L HA 0.128 4.477 4.340 0.014 0.000 0.214 606 L C 0.870 177.077 176.870 -1.106 0.000 1.115 606 L CA 0.367 54.750 54.840 -0.762 0.000 0.820 606 L CB -0.133 41.622 42.059 -0.507 0.000 0.944 606 L HN 0.395 nan 8.230 nan 0.000 0.452 607 V N -4.811 114.347 119.914 -1.261 0.000 2.864 607 V HA 0.465 4.593 4.120 0.014 0.000 0.314 607 V C -0.183 175.425 176.094 -0.811 0.000 1.073 607 V CA -1.260 60.438 62.300 -1.004 0.000 0.956 607 V CB 1.538 32.849 31.823 -0.853 0.000 1.023 607 V HN -0.134 nan 8.190 nan 0.000 0.435 608 F N 1.602 121.412 119.950 -0.233 0.000 2.480 608 F HA 0.526 5.062 4.527 0.014 0.000 0.319 608 F C 1.995 177.720 175.800 -0.125 0.000 1.230 608 F CA 0.608 58.600 58.000 -0.012 0.000 1.285 608 F CB 0.760 39.784 39.000 0.040 0.000 1.208 608 F HN 0.775 nan 8.300 nan 0.000 0.579 609 A N 0.726 123.634 122.820 0.147 0.000 1.986 609 A HA -0.240 4.088 4.320 0.014 0.000 0.220 609 A C 1.618 179.189 177.584 -0.021 0.000 1.171 609 A CA 2.007 54.082 52.037 0.063 0.000 0.640 609 A CB -0.969 18.104 19.000 0.120 0.000 0.811 609 A HN 0.789 nan 8.150 nan 0.000 0.451 610 D N -3.037 117.366 120.400 0.005 0.000 2.325 610 D HA 0.160 4.808 4.640 0.014 0.000 0.225 610 D C 0.605 176.892 176.300 -0.022 0.000 1.096 610 D CA -0.035 53.934 54.000 -0.051 0.000 0.844 610 D CB -0.054 40.719 40.800 -0.045 0.000 0.925 610 D HN 0.205 nan 8.370 nan 0.000 0.513 611 R N -1.894 118.595 120.500 -0.018 0.000 3.728 611 R HA -0.120 4.228 4.340 0.014 0.000 0.478 611 R C -0.201 176.104 176.300 0.008 0.000 0.932 611 R CA 1.074 57.159 56.100 -0.026 0.000 1.317 611 R CB -3.226 27.091 30.300 0.030 0.000 1.987 611 R HN 0.244 nan 8.270 nan 0.000 0.509 612 T N 2.766 117.367 114.554 0.079 0.000 2.884 612 T HA 0.382 4.740 4.350 0.014 0.000 0.298 612 T C -2.339 172.479 174.700 0.198 0.000 0.998 612 T CA -0.853 61.327 62.100 0.133 0.000 1.124 612 T CB 1.107 70.052 68.868 0.128 0.000 0.931 612 T HN -0.098 nan 8.240 nan 0.000 0.531 613 P HA 0.227 nan 4.420 nan 0.000 0.278 613 P C -0.143 177.228 177.300 0.118 0.000 1.238 613 P CA -0.351 62.757 63.100 0.013 0.000 0.794 613 P CB 0.474 32.177 31.700 0.006 0.000 0.955 614 H N 2.432 121.328 119.070 -0.290 0.000 2.544 614 H HA 0.111 4.675 4.556 0.014 0.000 0.365 614 H C -1.287 173.942 175.328 -0.164 0.000 1.268 614 H CA -1.835 54.010 56.048 -0.338 0.000 1.400 614 H CB 0.173 29.690 29.762 -0.407 0.000 1.538 614 H HN 0.324 nan 8.280 nan 0.000 0.597 615 P HA -0.139 nan 4.420 nan 0.000 0.218 615 P C 1.148 178.450 177.300 0.003 0.000 1.149 615 P CA 1.413 64.511 63.100 -0.004 0.000 0.817 615 P CB -0.010 31.688 31.700 -0.005 0.000 0.785 616 A N -0.636 122.186 122.820 0.004 0.000 2.131 616 A HA -0.177 4.151 4.320 0.014 0.000 0.220 616 A C 2.037 179.561 177.584 -0.099 0.000 1.158 616 A CA 1.104 53.102 52.037 -0.066 0.000 0.665 616 A CB -1.560 17.376 19.000 -0.107 0.000 0.795 616 A HN 0.163 nan 8.150 nan 0.000 0.460 617 L N -0.374 120.811 121.223 -0.063 0.000 2.083 617 L HA -0.106 4.242 4.340 0.014 0.000 0.209 617 L C 2.386 179.289 176.870 0.056 0.000 1.083 617 L CA 2.687 57.520 54.840 -0.011 0.000 0.752 617 L CB -0.851 41.203 42.059 -0.007 0.000 0.899 617 L HN 0.346 nan 8.230 nan 0.000 0.433 618 T N -1.158 113.442 114.554 0.077 0.000 2.867 618 T HA -0.162 4.196 4.350 0.014 0.000 0.268 618 T C 1.700 176.510 174.700 0.183 0.000 1.057 618 T CA 1.304 63.513 62.100 0.182 0.000 1.136 618 T CB -0.120 68.839 68.868 0.152 0.000 0.874 618 T HN 0.326 nan 8.240 nan 0.000 0.466 619 E N 1.574 121.816 120.200 0.069 0.000 2.072 619 E HA -0.001 4.357 4.350 0.014 0.000 0.191 619 E C 2.223 178.811 176.600 -0.021 0.000 0.985 619 E CA 1.238 57.675 56.400 0.061 0.000 0.801 619 E CB -0.483 29.215 29.700 -0.003 0.000 0.750 619 E HN 0.440 nan 8.360 nan 0.000 0.452 620 A N 0.909 123.610 122.820 -0.198 0.000 1.898 620 A HA -0.187 4.142 4.320 0.014 0.000 0.216 620 A C 2.151 179.596 177.584 -0.232 0.000 1.181 620 A CA 1.786 53.638 52.037 -0.307 0.000 0.620 620 A CB -0.589 18.205 19.000 -0.343 0.000 0.819 620 A HN 0.253 nan 8.150 nan 0.000 0.442 621 K N -1.088 119.259 120.400 -0.089 0.000 2.044 621 K HA -0.300 4.028 4.320 0.014 0.000 0.210 621 K C 2.060 178.551 176.600 -0.181 0.000 1.049 621 K CA 2.093 58.348 56.287 -0.053 0.000 0.927 621 K CB -0.363 32.263 32.500 0.210 0.000 0.713 621 K HN 0.636 nan 8.250 nan 0.000 0.443 622 H N 0.375 119.256 119.070 -0.315 0.000 2.326 622 H HA -0.023 4.541 4.556 0.014 0.000 0.301 622 H C 1.977 177.038 175.328 -0.446 0.000 1.081 622 H CA 1.820 57.497 56.048 -0.619 0.000 1.334 622 H CB 0.074 29.500 29.762 -0.560 0.000 1.385 622 H HN 0.247 nan 8.280 nan 0.000 0.504 623 Q N 0.203 119.753 119.800 -0.416 0.000 2.224 623 Q HA -0.084 4.264 4.340 0.014 0.000 0.203 623 Q C 1.529 177.030 176.000 -0.832 0.000 0.970 623 Q CA 1.127 56.631 55.803 -0.498 0.000 0.865 623 Q CB 0.057 28.673 28.738 -0.203 0.000 0.922 623 Q HN 0.713 nan 8.270 nan 0.000 0.445 624 Q N 0.315 119.561 119.800 -0.923 0.000 2.322 624 Q HA 0.073 4.421 4.340 0.014 0.000 0.203 624 Q C -0.065 175.391 176.000 -0.907 0.000 0.923 624 Q CA -0.195 54.907 55.803 -1.169 0.000 0.949 624 Q CB 0.301 28.366 28.738 -1.121 0.000 1.039 624 Q HN 0.380 nan 8.270 nan 0.000 0.496 625 Q N -0.513 118.906 119.800 -0.634 0.000 2.479 625 Q HA -0.023 4.326 4.340 0.014 0.000 0.267 625 Q C -0.106 175.540 176.000 -0.590 0.000 1.071 625 Q CA 0.427 55.985 55.803 -0.408 0.000 0.935 625 Q CB 0.441 29.030 28.738 -0.249 0.000 1.295 625 Q HN 0.296 nan 8.270 nan 0.000 0.476 626 F N -0.220 119.501 119.950 -0.381 0.000 2.695 626 F HA 0.246 4.781 4.527 0.013 0.000 0.303 626 F C -0.225 174.982 175.800 -0.989 0.000 1.091 626 F CA -0.094 57.439 58.000 -0.778 0.000 1.300 626 F CB 0.614 38.837 39.000 -1.295 0.000 1.071 626 F HN 0.292 nan 8.300 nan 0.000 0.578 627 F N 0.662 120.527 119.950 -0.140 0.000 2.507 627 F HA 0.478 5.014 4.527 0.015 0.000 0.325 627 F C -0.013 175.437 175.800 -0.583 0.000 1.116 627 F CA -1.108 56.694 58.000 -0.329 0.000 0.930 627 F CB 1.217 40.010 39.000 -0.344 0.000 1.146 627 F HN -0.293 nan 8.300 nan 0.000 0.447 628 Q N 2.959 122.518 119.800 -0.402 0.000 2.257 628 Q HA 0.615 4.963 4.340 0.014 0.000 0.262 628 Q C -1.298 174.441 176.000 -0.434 0.000 0.997 628 Q CA -0.644 54.963 55.803 -0.326 0.000 0.873 628 Q CB 2.782 31.449 28.738 -0.119 0.000 1.312 628 Q HN 0.580 nan 8.270 nan 0.000 0.450 629 F N 0.263 120.337 119.950 0.207 0.000 2.588 629 F HA 0.586 5.121 4.527 0.014 0.000 0.310 629 F C 0.108 176.128 175.800 0.366 0.000 1.082 629 F CA -1.058 57.129 58.000 0.312 0.000 0.929 629 F CB 1.765 41.073 39.000 0.513 0.000 1.254 629 F HN 0.111 nan 8.300 nan 0.000 0.455 630 R N 1.664 122.448 120.500 0.474 0.000 2.725 630 R HA 0.684 5.032 4.340 0.014 0.000 0.277 630 R C -1.946 174.378 176.300 0.041 0.000 0.987 630 R CA -1.144 55.139 56.100 0.306 0.000 0.901 630 R CB 2.212 32.608 30.300 0.160 0.000 1.207 630 R HN 0.626 nan 8.270 nan 0.000 0.463 631 L N 0.062 121.182 121.223 -0.172 0.000 2.362 631 L HA 0.665 5.013 4.340 0.014 0.000 0.275 631 L C -0.883 175.829 176.870 -0.264 0.000 0.998 631 L CA 0.070 54.613 54.840 -0.495 0.000 0.820 631 L CB 2.203 43.578 42.059 -1.141 0.000 1.270 631 L HN 0.530 nan 8.230 nan 0.000 0.415 632 S N 3.419 118.992 115.700 -0.212 0.000 2.789 632 S HA 0.691 5.169 4.470 0.014 0.000 0.286 632 S C 0.296 174.810 174.600 -0.143 0.000 1.153 632 S CA 0.203 58.321 58.200 -0.136 0.000 1.084 632 S CB 0.512 63.664 63.200 -0.080 0.000 1.036 632 S HN 1.467 nan 8.310 nan 0.000 0.484 633 G N 4.517 113.234 108.800 -0.138 0.000 2.601 633 G HA2 -0.335 3.634 3.960 0.014 0.000 0.306 633 G HA3 -0.335 3.634 3.960 0.014 0.000 0.306 633 G C 0.254 175.055 174.900 -0.165 0.000 1.172 633 G CA 0.840 45.864 45.100 -0.126 0.000 0.966 633 G HN 0.961 nan 8.290 nan 0.000 0.542 634 Q N -0.501 119.204 119.800 -0.157 0.000 2.157 634 Q HA 0.550 4.898 4.340 0.014 0.000 0.229 634 Q C -0.035 175.833 176.000 -0.221 0.000 0.827 634 Q CA 0.441 56.124 55.803 -0.201 0.000 1.055 634 Q CB 0.568 29.189 28.738 -0.194 0.000 1.157 634 Q HN 0.414 nan 8.270 nan 0.000 0.482 635 T N 1.469 115.906 114.554 -0.194 0.000 2.771 635 T HA 0.525 4.883 4.350 0.014 0.000 0.281 635 T C -0.346 174.237 174.700 -0.195 0.000 0.982 635 T CA -0.430 61.569 62.100 -0.167 0.000 0.978 635 T CB 0.914 69.714 68.868 -0.113 0.000 0.930 635 T HN 0.228 nan 8.240 nan 0.000 0.447 636 I N 2.830 123.296 120.570 -0.173 0.000 2.359 636 I HA 0.320 4.498 4.170 0.014 0.000 0.294 636 I C 0.536 176.651 176.117 -0.003 0.000 0.987 636 I CA -0.611 60.607 61.300 -0.137 0.000 1.225 636 I CB 1.332 39.269 38.000 -0.107 0.000 1.366 636 I HN 0.556 nan 8.210 nan 0.000 0.466 637 E N 6.753 126.986 120.200 0.055 0.000 2.113 637 E HA 0.420 4.778 4.350 0.014 0.000 0.273 637 E C -1.600 175.097 176.600 0.160 0.000 0.924 637 E CA -0.577 55.873 56.400 0.084 0.000 0.764 637 E CB 1.608 31.341 29.700 0.055 0.000 1.104 637 E HN 0.348 nan 8.360 nan 0.000 0.406 638 V N 4.153 124.143 119.914 0.125 0.000 2.398 638 V HA 0.326 4.454 4.120 0.014 0.000 0.286 638 V C -0.026 176.088 176.094 0.034 0.000 1.026 638 V CA -0.562 61.784 62.300 0.076 0.000 0.868 638 V CB 1.717 33.601 31.823 0.102 0.000 0.982 638 V HN 0.701 nan 8.190 nan 0.000 0.443 639 T N 3.192 117.731 114.554 -0.025 0.000 2.807 639 T HA 0.320 4.678 4.350 0.014 0.000 0.279 639 T C -0.020 174.687 174.700 0.011 0.000 0.993 639 T CA -0.263 61.837 62.100 -0.001 0.000 0.970 639 T CB 1.527 70.378 68.868 -0.029 0.000 0.950 639 T HN 0.686 nan 8.240 nan 0.000 0.441 640 S N 1.962 117.687 115.700 0.040 0.000 2.513 640 S HA 0.177 4.655 4.470 0.014 0.000 0.276 640 S C 0.870 175.364 174.600 -0.177 0.000 1.254 640 S CA -0.513 57.658 58.200 -0.049 0.000 1.053 640 S CB 0.476 63.726 63.200 0.083 0.000 0.958 640 S HN 0.712 nan 8.310 nan 0.000 0.491 641 E N 3.201 123.188 120.200 -0.355 0.000 2.474 641 E HA 0.074 4.432 4.350 0.014 0.000 0.195 641 E C -0.628 175.805 176.600 -0.280 0.000 1.039 641 E CA -0.091 56.134 56.400 -0.292 0.000 0.881 641 E CB 0.233 29.735 29.700 -0.331 0.000 0.970 641 E HN 0.712 nan 8.360 nan 0.000 0.486 642 Y N 0.381 120.574 120.300 -0.179 0.000 2.457 642 Y HA -0.046 4.512 4.550 0.013 0.000 0.341 642 Y C 1.479 177.231 175.900 -0.246 0.000 1.240 642 Y CA 0.110 58.109 58.100 -0.168 0.000 1.437 642 Y CB 0.690 39.036 38.460 -0.190 0.000 1.328 642 Y HN -0.043 nan 8.280 nan 0.000 0.588 643 L N 0.841 121.917 121.223 -0.246 0.000 2.408 643 L HA 0.063 4.412 4.340 0.014 0.000 0.215 643 L C 0.680 177.094 176.870 -0.759 0.000 1.081 643 L CA 0.624 55.056 54.840 -0.680 0.000 0.840 643 L CB 0.024 41.267 42.059 -1.360 0.000 1.002 643 L HN 0.643 nan 8.230 nan 0.000 0.468 644 F N -0.590 119.385 119.950 0.041 0.000 2.658 644 F HA 0.211 4.746 4.527 0.012 0.000 0.293 644 F C 1.212 177.000 175.800 -0.020 0.000 0.986 644 F CA -0.818 57.177 58.000 -0.008 0.000 1.182 644 F CB 0.327 39.299 39.000 -0.046 0.000 0.965 644 F HN -0.159 nan 8.300 nan 0.000 0.659 645 R N 0.342 120.893 120.500 0.086 0.000 2.536 645 R HA 0.445 4.794 4.340 0.014 0.000 0.279 645 R C -0.921 175.379 176.300 0.000 0.000 1.001 645 R CA -0.649 55.444 56.100 -0.012 0.000 1.027 645 R CB 0.880 31.058 30.300 -0.202 0.000 1.096 645 R HN 0.068 nan 8.270 nan 0.000 0.502 646 H N 0.614 119.665 119.070 -0.031 0.000 2.547 646 H HA 0.110 4.674 4.556 0.013 0.000 0.362 646 H C -0.091 175.247 175.328 0.017 0.000 1.181 646 H CA 0.187 56.246 56.048 0.018 0.000 1.376 646 H CB 1.157 30.932 29.762 0.022 0.000 1.488 646 H HN 0.757 nan 8.280 nan 0.000 0.583 647 S N 1.902 117.459 115.700 -0.239 0.000 4.183 647 S HA -0.009 4.469 4.470 0.014 0.000 0.195 647 S C -0.066 174.618 174.600 0.140 0.000 1.421 647 S CA -0.285 57.943 58.200 0.046 0.000 0.920 647 S CB -0.730 62.522 63.200 0.086 0.000 1.525 647 S HN 0.702 nan 8.310 nan 0.000 0.447 648 D N 0.629 121.135 120.400 0.176 0.000 2.325 648 D HA 0.053 4.701 4.640 0.014 0.000 0.234 648 D C 0.285 176.640 176.300 0.091 0.000 1.122 648 D CA -0.223 53.878 54.000 0.169 0.000 0.850 648 D CB -0.353 40.526 40.800 0.131 0.000 0.921 648 D HN 0.501 nan 8.370 nan 0.000 0.513 649 N N 0.116 118.867 118.700 0.085 0.000 2.639 649 N HA 0.158 4.906 4.740 0.014 0.000 0.265 649 N C -1.610 173.951 175.510 0.085 0.000 1.689 649 N CA -0.198 52.893 53.050 0.069 0.000 0.813 649 N CB 0.313 38.834 38.487 0.057 0.000 1.353 649 N HN -0.052 nan 8.380 nan 0.000 0.510 650 E N -0.117 120.117 120.200 0.057 0.000 2.352 650 E HA 0.500 4.858 4.350 0.014 0.000 0.280 650 E C -1.551 175.034 176.600 -0.026 0.000 0.930 650 E CA -0.769 55.646 56.400 0.025 0.000 0.765 650 E CB 1.883 31.565 29.700 -0.031 0.000 1.219 650 E HN 0.244 nan 8.360 nan 0.000 0.434 651 L N -0.008 121.184 121.223 -0.051 0.000 2.371 651 L HA 0.757 5.105 4.340 0.014 0.000 0.262 651 L C -1.537 175.242 176.870 -0.152 0.000 1.006 651 L CA -1.016 53.754 54.840 -0.117 0.000 0.818 651 L CB 0.949 42.917 42.059 -0.150 0.000 1.354 651 L HN 0.541 nan 8.230 nan 0.000 0.415 652 L N 2.061 123.206 121.223 -0.131 0.000 2.287 652 L HA 0.617 4.965 4.340 0.014 0.000 0.287 652 L C -0.850 175.978 176.870 -0.070 0.000 1.022 652 L CA 0.189 55.016 54.840 -0.022 0.000 0.814 652 L CB 0.770 42.888 42.059 0.097 0.000 1.217 652 L HN 0.737 nan 8.230 nan 0.000 0.420 653 H N 4.552 123.703 119.070 0.136 0.000 2.463 653 H HA 0.581 5.145 4.556 0.014 0.000 0.332 653 H C -1.127 174.307 175.328 0.178 0.000 1.127 653 H CA -0.202 55.894 56.048 0.080 0.000 1.238 653 H CB 1.087 30.847 29.762 -0.004 0.000 1.478 653 H HN 0.638 nan 8.280 nan 0.000 0.499 654 W N 4.592 125.995 121.300 0.172 0.000 3.022 654 W HA 0.569 5.237 4.660 0.014 0.000 0.335 654 W C -1.824 174.757 176.519 0.104 0.000 1.133 654 W CA -1.321 56.097 57.345 0.123 0.000 1.219 654 W CB 1.255 30.767 29.460 0.087 0.000 1.409 654 W HN 0.614 nan 8.180 nan 0.000 0.507 655 M N 2.865 122.660 119.600 0.325 0.000 2.484 655 M HA 0.746 5.234 4.480 0.014 0.000 0.289 655 M C -2.410 174.086 176.300 0.327 0.000 1.206 655 M CA -0.893 54.489 55.300 0.137 0.000 0.892 655 M CB 2.145 34.707 32.600 -0.064 0.000 1.712 655 M HN 0.146 nan 8.290 nan 0.000 0.462 656 V N 1.998 122.076 119.914 0.273 0.000 2.588 656 V HA 0.946 5.074 4.120 0.014 0.000 0.304 656 V C -0.550 175.650 176.094 0.177 0.000 1.042 656 V CA -0.385 62.084 62.300 0.281 0.000 0.877 656 V CB 1.662 33.685 31.823 0.334 0.000 0.996 656 V HN 1.067 nan 8.190 nan 0.000 0.425 657 A N 4.350 127.284 122.820 0.191 0.000 2.449 657 A HA 0.876 5.204 4.320 0.014 0.000 0.302 657 A C -1.484 176.213 177.584 0.190 0.000 1.048 657 A CA -0.614 51.503 52.037 0.134 0.000 0.708 657 A CB 1.707 20.746 19.000 0.065 0.000 1.274 657 A HN 0.848 nan 8.150 nan 0.000 0.410 658 L N 1.886 123.189 121.223 0.134 0.000 2.255 658 L HA 0.455 4.804 4.340 0.014 0.000 0.289 658 L C -0.512 176.452 176.870 0.156 0.000 1.046 658 L CA 0.206 55.137 54.840 0.152 0.000 0.816 658 L CB 0.165 42.282 42.059 0.095 0.000 1.197 658 L HN 0.752 nan 8.230 nan 0.000 0.427 659 D N 4.924 125.485 120.400 0.267 0.000 2.755 659 D HA -0.223 4.425 4.640 0.014 0.000 0.227 659 D C 1.190 177.521 176.300 0.052 0.000 1.211 659 D CA 1.338 55.490 54.000 0.254 0.000 0.663 659 D CB -1.073 39.851 40.800 0.206 0.000 0.983 659 D HN 1.159 nan 8.370 nan 0.000 0.407 660 G N -0.377 108.409 108.800 -0.023 0.000 2.225 660 G HA2 -0.365 3.603 3.960 0.014 0.000 0.254 660 G HA3 -0.365 3.603 3.960 0.014 0.000 0.254 660 G C 0.179 174.993 174.900 -0.144 0.000 0.988 660 G CA 0.553 45.529 45.100 -0.207 0.000 0.625 660 G HN 0.541 nan 8.290 nan 0.000 0.527 661 K N 1.828 122.196 120.400 -0.053 0.000 2.264 661 K HA 0.486 4.815 4.320 0.014 0.000 0.277 661 K C -2.778 173.810 176.600 -0.020 0.000 1.067 661 K CA -2.000 54.261 56.287 -0.045 0.000 0.900 661 K CB 1.767 34.256 32.500 -0.018 0.000 1.124 661 K HN 0.053 nan 8.250 nan 0.000 0.469 662 P HA -0.088 nan 4.420 nan 0.000 0.262 662 P C 0.048 177.345 177.300 -0.005 0.000 1.182 662 P CA 0.028 63.107 63.100 -0.034 0.000 0.761 662 P CB 0.629 32.288 31.700 -0.068 0.000 0.795 663 L N 1.420 122.657 121.223 0.024 0.000 2.730 663 L HA 0.498 4.846 4.340 0.014 0.000 0.236 663 L C 0.515 177.416 176.870 0.050 0.000 1.061 663 L CA 0.587 55.454 54.840 0.046 0.000 0.898 663 L CB 0.398 42.508 42.059 0.084 0.000 1.270 663 L HN 0.475 nan 8.230 nan 0.000 0.500 664 A N -0.740 122.106 122.820 0.044 0.000 2.569 664 A HA 0.576 4.904 4.320 0.014 0.000 0.292 664 A C -0.962 176.502 177.584 -0.200 0.000 1.032 664 A CA 0.279 52.325 52.037 0.015 0.000 0.669 664 A CB 1.188 20.311 19.000 0.206 0.000 1.290 664 A HN 0.151 nan 8.150 nan 0.000 0.422 665 S N -0.766 114.592 115.700 -0.571 0.000 2.615 665 S HA 0.960 5.439 4.470 0.014 0.000 0.268 665 S C -0.252 173.501 174.600 -1.412 0.000 1.146 665 S CA 0.067 57.538 58.200 -1.215 0.000 0.818 665 S CB 0.914 63.767 63.200 -0.579 0.000 1.111 665 S HN 2.704 nan 8.310 nan 0.000 0.465 666 G N -0.069 107.678 108.800 -1.757 0.000 2.550 666 G HA2 0.647 4.615 3.960 0.014 0.000 0.293 666 G HA3 0.647 4.615 3.960 0.014 0.000 0.293 666 G C -2.235 172.395 174.900 -0.450 0.000 1.402 666 G CA -0.638 43.971 45.100 -0.819 0.000 0.784 666 G HN 1.082 nan 8.290 nan 0.000 0.482 667 E N -1.537 118.646 120.200 -0.028 0.000 2.317 667 E HA 0.756 5.114 4.350 0.014 0.000 0.270 667 E C -1.465 175.196 176.600 0.102 0.000 0.885 667 E CA -1.097 55.320 56.400 0.028 0.000 0.760 667 E CB 3.050 32.711 29.700 -0.065 0.000 1.227 667 E HN 0.428 nan 8.360 nan 0.000 0.434 668 V N 1.929 121.882 119.914 0.064 0.000 2.851 668 V HA 0.414 4.542 4.120 0.014 0.000 0.307 668 V C -2.505 173.596 176.094 0.011 0.000 1.129 668 V CA -1.884 60.459 62.300 0.072 0.000 0.932 668 V CB 2.203 34.098 31.823 0.121 0.000 1.024 668 V HN 0.697 nan 8.190 nan 0.000 0.426 669 P HA 0.348 nan 4.420 nan 0.000 0.275 669 P C -0.888 176.415 177.300 0.006 0.000 1.228 669 P CA -0.207 62.894 63.100 0.001 0.000 0.786 669 P CB 0.770 32.481 31.700 0.019 0.000 0.927 670 L N 2.612 123.827 121.223 -0.015 0.000 2.295 670 L HA 0.347 4.695 4.340 0.014 0.000 0.285 670 L C 0.264 177.139 176.870 0.010 0.000 1.035 670 L CA -0.008 54.812 54.840 -0.033 0.000 0.806 670 L CB 1.095 43.072 42.059 -0.137 0.000 1.214 670 L HN 0.332 nan 8.230 nan 0.000 0.426 671 D N 3.379 123.796 120.400 0.028 0.000 2.552 671 D HA 0.213 4.861 4.640 0.014 0.000 0.285 671 D C -1.342 174.957 176.300 -0.002 0.000 1.206 671 D CA -0.043 54.020 54.000 0.105 0.000 0.826 671 D CB 1.179 42.077 40.800 0.163 0.000 1.179 671 D HN 0.103 nan 8.370 nan 0.000 0.508 672 V N 1.459 121.243 119.914 -0.216 0.000 2.495 672 V HA 0.876 5.004 4.120 0.014 0.000 0.298 672 V C 0.057 175.913 176.094 -0.395 0.000 1.031 672 V CA -0.418 61.786 62.300 -0.161 0.000 0.871 672 V CB 1.340 33.173 31.823 0.017 0.000 0.988 672 V HN 0.466 nan 8.190 nan 0.000 0.432 673 A N 8.589 131.328 122.820 -0.134 0.000 2.296 673 A HA 0.725 5.053 4.320 0.014 0.000 0.264 673 A C -2.432 175.153 177.584 0.001 0.000 1.097 673 A CA -1.413 50.617 52.037 -0.012 0.000 0.811 673 A CB -0.057 19.022 19.000 0.131 0.000 1.072 673 A HN 0.767 nan 8.150 nan 0.000 0.495 674 P HA 0.053 nan 4.420 nan 0.000 0.267 674 P C -0.648 176.646 177.300 -0.010 0.000 1.205 674 P CA 0.510 63.622 63.100 0.021 0.000 0.765 674 P CB 0.850 32.549 31.700 -0.002 0.000 0.828 675 Q N -0.809 118.974 119.800 -0.029 0.000 2.362 675 Q HA -0.165 4.184 4.340 0.014 0.000 0.220 675 Q C 0.776 176.769 176.000 -0.013 0.000 0.713 675 Q CA 1.778 57.556 55.803 -0.041 0.000 1.345 675 Q CB -2.554 26.154 28.738 -0.051 0.000 1.570 675 Q HN 0.769 nan 8.270 nan 0.000 0.701 676 G N 0.208 109.013 108.800 0.009 0.000 2.543 676 G HA2 0.541 4.509 3.960 0.014 0.000 0.290 676 G HA3 0.541 4.509 3.960 0.014 0.000 0.290 676 G C -0.179 174.737 174.900 0.026 0.000 1.310 676 G CA -0.468 44.644 45.100 0.020 0.000 1.025 676 G HN 0.009 nan 8.290 nan 0.000 0.502 677 K N -1.063 119.355 120.400 0.030 0.000 2.444 677 K HA 0.546 4.874 4.320 0.014 0.000 0.252 677 K C -0.923 175.700 176.600 0.039 0.000 0.993 677 K CA -0.654 55.654 56.287 0.034 0.000 0.847 677 K CB 2.479 34.995 32.500 0.026 0.000 1.340 677 K HN 0.565 nan 8.250 nan 0.000 0.446 678 Q N 2.042 121.868 119.800 0.043 0.000 2.320 678 Q HA 0.370 4.718 4.340 0.014 0.000 0.272 678 Q C -1.847 174.176 176.000 0.039 0.000 1.023 678 Q CA -0.659 55.168 55.803 0.040 0.000 0.855 678 Q CB 1.451 30.214 28.738 0.041 0.000 1.367 678 Q HN 0.521 nan 8.270 nan 0.000 0.406 679 L N 4.714 125.951 121.223 0.024 0.000 2.296 679 L HA 0.581 4.929 4.340 0.014 0.000 0.286 679 L C -0.615 176.253 176.870 -0.002 0.000 1.023 679 L CA -0.728 54.116 54.840 0.008 0.000 0.812 679 L CB 1.292 43.347 42.059 -0.006 0.000 1.223 679 L HN 0.593 nan 8.230 nan 0.000 0.421 680 I N 3.375 123.934 120.570 -0.018 0.000 2.418 680 I HA 0.203 4.382 4.170 0.014 0.000 0.287 680 I C -0.325 175.733 176.117 -0.099 0.000 1.008 680 I CA -0.474 60.802 61.300 -0.040 0.000 1.104 680 I CB 1.869 39.856 38.000 -0.023 0.000 1.264 680 I HN 0.517 nan 8.210 nan 0.000 0.438 681 E N 7.639 127.779 120.200 -0.100 0.000 2.081 681 E HA 0.322 4.680 4.350 0.014 0.000 0.281 681 E C -0.352 176.132 176.600 -0.193 0.000 0.986 681 E CA -0.546 55.775 56.400 -0.133 0.000 0.796 681 E CB 1.484 31.131 29.700 -0.088 0.000 1.085 681 E HN 0.509 nan 8.360 nan 0.000 0.398 682 L N 4.505 125.545 121.223 -0.305 0.000 2.483 682 L HA 0.074 4.422 4.340 0.014 0.000 0.276 682 L C -1.803 174.887 176.870 -0.300 0.000 1.213 682 L CA -1.296 53.252 54.840 -0.486 0.000 0.843 682 L CB -0.016 41.646 42.059 -0.661 0.000 1.107 682 L HN 0.169 nan 8.230 nan 0.000 0.487 683 P HA 0.009 nan 4.420 nan 0.000 0.272 683 P C -0.530 176.729 177.300 -0.069 0.000 1.223 683 P CA -0.359 62.703 63.100 -0.064 0.000 0.784 683 P CB 0.421 32.177 31.700 0.094 0.000 0.923 684 E N 1.834 122.019 120.200 -0.026 0.000 2.414 684 E HA 0.035 4.393 4.350 0.014 0.000 0.263 684 E C -0.888 175.721 176.600 0.014 0.000 1.000 684 E CA 0.051 56.438 56.400 -0.021 0.000 0.914 684 E CB 0.174 29.868 29.700 -0.010 0.000 0.948 684 E HN 0.249 nan 8.360 nan 0.000 0.444 685 L N 5.951 127.178 121.223 0.007 0.000 2.352 685 L HA 0.455 4.803 4.340 0.014 0.000 0.269 685 L C -1.889 175.005 176.870 0.041 0.000 1.034 685 L CA -1.878 52.990 54.840 0.046 0.000 0.806 685 L CB 1.102 43.195 42.059 0.057 0.000 1.244 685 L HN 0.563 nan 8.230 nan 0.000 0.447 686 P HA 0.171 nan 4.420 nan 0.000 0.276 686 P C -1.757 175.564 177.300 0.035 0.000 1.244 686 P CA -0.640 62.485 63.100 0.041 0.000 0.801 686 P CB 0.658 32.385 31.700 0.046 0.000 1.006 687 Q N 1.914 121.729 119.800 0.025 0.000 2.290 687 Q HA 0.471 4.819 4.340 0.014 0.000 0.259 687 Q C -2.176 173.838 176.000 0.023 0.000 0.941 687 Q CA -1.600 54.215 55.803 0.021 0.000 0.912 687 Q CB 1.119 29.865 28.738 0.013 0.000 1.244 687 Q HN 0.403 nan 8.270 nan 0.000 0.441 688 P HA 0.331 nan 4.420 nan 0.000 0.253 688 P C -0.782 176.532 177.300 0.024 0.000 1.599 688 P CA -0.576 62.540 63.100 0.027 0.000 1.189 688 P CB 0.921 32.642 31.700 0.035 0.000 1.347 689 E N -0.062 120.150 120.200 0.020 0.000 2.512 689 E HA 0.007 4.365 4.350 0.014 0.000 0.195 689 E C 0.695 177.307 176.600 0.021 0.000 1.083 689 E CA 0.014 56.424 56.400 0.018 0.000 0.873 689 E CB 0.019 29.727 29.700 0.014 0.000 0.897 689 E HN 0.268 nan 8.360 nan 0.000 0.514 690 S N 1.404 117.120 115.700 0.026 0.000 2.443 690 S HA 0.374 4.853 4.470 0.014 0.000 0.284 690 S C 0.470 175.091 174.600 0.035 0.000 1.206 690 S CA -0.550 57.668 58.200 0.030 0.000 1.074 690 S CB 0.095 63.314 63.200 0.031 0.000 0.963 690 S HN 0.335 nan 8.310 nan 0.000 0.501 691 A N 4.366 127.208 122.820 0.036 0.000 2.615 691 A HA 0.535 4.863 4.320 0.014 0.000 0.230 691 A C 1.110 178.725 177.584 0.053 0.000 1.062 691 A CA 0.545 52.606 52.037 0.040 0.000 0.758 691 A CB -0.829 18.196 19.000 0.042 0.000 0.995 691 A HN 2.127 nan 8.150 nan 0.000 0.511 692 G N -0.447 108.386 108.800 0.054 0.000 2.347 692 G HA2 0.453 4.422 3.960 0.014 0.000 0.477 692 G HA3 0.453 4.422 3.960 0.014 0.000 0.477 692 G C -1.014 173.920 174.900 0.056 0.000 1.349 692 G CA -0.064 45.082 45.100 0.076 0.000 1.000 692 G HN 1.317 nan 8.290 nan 0.000 0.605 693 Q N -0.308 119.542 119.800 0.083 0.000 2.290 693 Q HA 0.739 5.087 4.340 0.014 0.000 0.259 693 Q C -0.293 175.749 176.000 0.070 0.000 0.941 693 Q CA -0.576 55.228 55.803 0.001 0.000 0.912 693 Q CB 1.279 29.985 28.738 -0.053 0.000 1.244 693 Q HN 0.596 nan 8.270 nan 0.000 0.441 694 L N 4.168 125.381 121.223 -0.017 0.000 2.350 694 L HA 0.505 4.853 4.340 0.014 0.000 0.275 694 L C -0.834 176.054 176.870 0.031 0.000 1.099 694 L CA -0.399 54.485 54.840 0.074 0.000 0.808 694 L CB 0.765 42.849 42.059 0.042 0.000 1.149 694 L HN 0.699 nan 8.230 nan 0.000 0.442 695 W N 3.948 125.309 121.300 0.103 0.000 2.915 695 W HA 0.512 5.180 4.660 0.013 0.000 0.337 695 W C -0.980 175.644 176.519 0.174 0.000 1.102 695 W CA -0.517 56.908 57.345 0.134 0.000 1.224 695 W CB 1.749 31.304 29.460 0.158 0.000 1.416 695 W HN 0.093 nan 8.180 nan 0.000 0.503 696 L N 3.059 124.560 121.223 0.462 0.000 2.313 696 L HA 0.780 5.128 4.340 0.014 0.000 0.283 696 L C -0.405 176.758 176.870 0.488 0.000 1.013 696 L CA 0.063 55.160 54.840 0.427 0.000 0.816 696 L CB 1.435 43.715 42.059 0.368 0.000 1.236 696 L HN 0.322 nan 8.230 nan 0.000 0.419 697 T N 5.048 119.839 114.554 0.394 0.000 2.824 697 T HA 0.701 5.059 4.350 0.014 0.000 0.282 697 T C -0.692 174.199 174.700 0.318 0.000 0.993 697 T CA -0.406 61.885 62.100 0.318 0.000 0.967 697 T CB 1.568 70.561 68.868 0.208 0.000 0.960 697 T HN 0.630 nan 8.240 nan 0.000 0.441 698 V N 1.506 121.580 119.914 0.266 0.000 2.914 698 V HA 0.870 4.998 4.120 0.014 0.000 0.314 698 V C -0.936 175.261 176.094 0.172 0.000 1.084 698 V CA -1.224 61.210 62.300 0.223 0.000 0.963 698 V CB 2.055 33.970 31.823 0.154 0.000 1.025 698 V HN 0.845 nan 8.190 nan 0.000 0.432 699 R N 1.821 122.454 120.500 0.221 0.000 2.651 699 R HA 0.756 5.104 4.340 0.014 0.000 0.278 699 R C -1.716 174.749 176.300 0.276 0.000 1.010 699 R CA -0.757 55.512 56.100 0.282 0.000 0.896 699 R CB 2.683 33.132 30.300 0.248 0.000 1.211 699 R HN 0.672 nan 8.270 nan 0.000 0.456 700 V N 3.375 123.475 119.914 0.310 0.000 2.383 700 V HA 0.374 4.502 4.120 0.014 0.000 0.275 700 V C -0.234 175.992 176.094 0.220 0.000 1.036 700 V CA -0.601 61.830 62.300 0.218 0.000 0.889 700 V CB 1.548 33.486 31.823 0.192 0.000 0.985 700 V HN 0.437 nan 8.190 nan 0.000 0.459 701 V N 5.016 125.032 119.914 0.170 0.000 2.555 701 V HA 0.427 4.555 4.120 0.014 0.000 0.302 701 V C -0.255 175.926 176.094 0.145 0.000 1.038 701 V CA -0.788 61.623 62.300 0.185 0.000 0.887 701 V CB 1.909 33.906 31.823 0.290 0.000 0.991 701 V HN 0.871 nan 8.190 nan 0.000 0.434 702 Q N 5.269 125.169 119.800 0.166 0.000 2.360 702 Q HA 0.287 4.636 4.340 0.014 0.000 0.254 702 Q C -1.766 174.289 176.000 0.091 0.000 0.975 702 Q CA -1.788 54.096 55.803 0.134 0.000 0.912 702 Q CB 2.091 30.928 28.738 0.166 0.000 1.212 702 Q HN 0.484 nan 8.270 nan 0.000 0.452 703 P HA -0.120 nan 4.420 nan 0.000 0.222 703 P C -0.569 176.746 177.300 0.024 0.000 1.153 703 P CA 0.966 64.098 63.100 0.052 0.000 0.798 703 P CB 0.425 32.151 31.700 0.043 0.000 0.796 704 N N -0.437 118.266 118.700 0.005 0.000 2.456 704 N HA 0.461 5.209 4.740 0.014 0.000 0.296 704 N C -0.332 175.136 175.510 -0.071 0.000 1.102 704 N CA -0.726 52.309 53.050 -0.025 0.000 0.924 704 N CB 1.133 39.606 38.487 -0.024 0.000 1.186 704 N HN -0.076 nan 8.380 nan 0.000 0.492 705 A N 0.722 123.491 122.820 -0.085 0.000 2.366 705 A HA 0.487 4.815 4.320 0.014 0.000 0.249 705 A C 0.556 178.019 177.584 -0.201 0.000 1.084 705 A CA -0.038 51.912 52.037 -0.146 0.000 0.794 705 A CB 0.036 18.976 19.000 -0.099 0.000 1.034 705 A HN 0.714 nan 8.150 nan 0.000 0.491 706 T N -3.014 111.336 114.554 -0.339 0.000 2.742 706 T HA 0.631 4.989 4.350 0.014 0.000 0.282 706 T C 0.903 175.436 174.700 -0.278 0.000 1.025 706 T CA 0.048 61.925 62.100 -0.370 0.000 1.020 706 T CB 1.110 69.517 68.868 -0.768 0.000 1.317 706 T HN 1.332 nan 8.240 nan 0.000 0.538 707 A N -0.164 122.576 122.820 -0.134 0.000 2.119 707 A HA 0.146 4.474 4.320 0.014 0.000 0.217 707 A C 1.538 179.246 177.584 0.206 0.000 1.153 707 A CA 0.798 52.863 52.037 0.047 0.000 0.692 707 A CB -0.832 18.229 19.000 0.101 0.000 0.799 707 A HN 0.899 nan 8.150 nan 0.000 0.458 708 W N -0.636 120.731 121.300 0.113 0.000 2.702 708 W HA 0.432 5.101 4.660 0.015 0.000 0.369 708 W C -0.234 176.257 176.519 -0.047 0.000 0.987 708 W CA 0.413 57.797 57.345 0.064 0.000 1.702 708 W CB -1.037 28.448 29.460 0.041 0.000 1.138 708 W HN 0.389 nan 8.180 nan 0.000 0.552 709 S N -0.163 115.144 115.700 -0.655 0.000 2.570 709 S HA 0.477 4.955 4.470 0.014 0.000 0.270 709 S C -0.992 173.393 174.600 -0.359 0.000 1.149 709 S CA -0.756 57.074 58.200 -0.616 0.000 0.837 709 S CB 2.788 65.248 63.200 -1.234 0.000 1.124 709 S HN 0.118 nan 8.310 nan 0.000 0.465 710 E N 0.436 120.533 120.200 -0.171 0.000 2.280 710 E HA 0.619 4.977 4.350 0.014 0.000 0.264 710 E C 0.149 176.723 176.600 -0.042 0.000 1.064 710 E CA -1.001 55.352 56.400 -0.077 0.000 0.900 710 E CB 1.286 30.986 29.700 -0.000 0.000 1.123 710 E HN 0.885 nan 8.360 nan 0.000 0.418 711 A N 0.476 123.281 122.820 -0.026 0.000 2.540 711 A HA 0.360 4.688 4.320 0.014 0.000 0.239 711 A C 1.123 178.732 177.584 0.043 0.000 1.061 711 A CA 0.876 52.913 52.037 0.001 0.000 0.758 711 A CB -0.605 18.396 19.000 0.002 0.000 0.991 711 A HN 0.816 nan 8.150 nan 0.000 0.502 712 G N 0.724 109.566 108.800 0.070 0.000 2.176 712 G HA2 -0.253 3.715 3.960 0.014 0.000 0.253 712 G HA3 -0.253 3.715 3.960 0.014 0.000 0.253 712 G C 0.250 175.221 174.900 0.118 0.000 0.979 712 G CA 0.709 45.862 45.100 0.087 0.000 0.641 712 G HN 1.818 nan 8.290 nan 0.000 0.530 713 H N 0.595 119.691 119.070 0.044 0.000 3.034 713 H HA 0.418 4.982 4.556 0.013 0.000 0.324 713 H C 0.708 176.129 175.328 0.156 0.000 1.015 713 H CA 0.366 56.464 56.048 0.084 0.000 1.429 713 H CB 0.163 29.954 29.762 0.049 0.000 1.429 713 H HN 0.306 nan 8.280 nan 0.000 0.585 714 I N 4.631 124.976 120.570 -0.375 0.000 2.325 714 I HA 0.035 4.213 4.170 0.014 0.000 0.291 714 I C 0.872 176.820 176.117 -0.282 0.000 1.019 714 I CA 0.118 61.319 61.300 -0.165 0.000 1.302 714 I CB 1.432 39.405 38.000 -0.044 0.000 1.401 714 I HN 0.801 nan 8.210 nan 0.000 0.485 715 S N 4.205 119.969 115.700 0.106 0.000 2.512 715 S HA 0.570 5.048 4.470 0.014 0.000 0.216 715 S C 0.394 175.263 174.600 0.449 0.000 1.006 715 S CA -0.072 58.331 58.200 0.340 0.000 0.915 715 S CB 0.611 64.135 63.200 0.540 0.000 0.824 715 S HN 0.685 nan 8.310 nan 0.000 0.497 716 A N 0.558 123.683 122.820 0.509 0.000 2.605 716 A HA 0.676 5.004 4.320 0.014 0.000 0.294 716 A C -1.701 176.255 177.584 0.620 0.000 1.062 716 A CA -0.948 51.370 52.037 0.470 0.000 0.682 716 A CB 0.467 19.798 19.000 0.552 0.000 1.278 716 A HN 0.885 nan 8.150 nan 0.000 0.410 717 W N -0.077 121.420 121.300 0.327 0.000 3.025 717 W HA 0.827 5.496 4.660 0.015 0.000 0.343 717 W C -1.102 175.480 176.519 0.104 0.000 1.246 717 W CA -0.690 56.741 57.345 0.144 0.000 1.178 717 W CB 1.236 30.737 29.460 0.069 0.000 1.463 717 W HN 1.044 nan 8.180 nan 0.000 0.578 718 Q N 0.927 120.779 119.800 0.088 0.000 2.617 718 Q HA 0.377 4.725 4.340 0.014 0.000 0.270 718 Q C -1.721 174.096 176.000 -0.304 0.000 0.967 718 Q CA -0.415 55.268 55.803 -0.201 0.000 0.887 718 Q CB 2.136 30.563 28.738 -0.519 0.000 1.516 718 Q HN 0.640 nan 8.270 nan 0.000 0.395 719 Q N 1.425 120.994 119.800 -0.386 0.000 2.451 719 Q HA 0.673 5.021 4.340 0.014 0.000 0.281 719 Q C -1.133 174.722 176.000 -0.243 0.000 1.099 719 Q CA -0.739 55.011 55.803 -0.088 0.000 0.806 719 Q CB 2.414 31.293 28.738 0.235 0.000 1.419 719 Q HN 0.604 nan 8.270 nan 0.000 0.427 720 W N 0.735 122.194 121.300 0.265 0.000 3.107 720 W HA 0.449 5.117 4.660 0.013 0.000 0.331 720 W C -0.437 176.055 176.519 -0.045 0.000 1.204 720 W CA -0.640 56.778 57.345 0.121 0.000 1.184 720 W CB 1.827 31.314 29.460 0.045 0.000 1.421 720 W HN 0.449 nan 8.180 nan 0.000 0.544 721 R N 1.479 121.897 120.500 -0.138 0.000 2.441 721 R HA 0.508 4.857 4.340 0.014 0.000 0.284 721 R C 0.456 176.632 176.300 -0.207 0.000 1.070 721 R CA -0.189 55.564 56.100 -0.580 0.000 1.047 721 R CB 1.126 30.970 30.300 -0.760 0.000 1.016 721 R HN 0.287 nan 8.270 nan 0.000 0.477 722 L N 1.057 122.165 121.223 -0.192 0.000 2.783 722 L HA 0.558 4.906 4.340 0.014 0.000 0.205 722 L C 0.510 177.308 176.870 -0.119 0.000 1.985 722 L CA -1.162 53.619 54.840 -0.099 0.000 2.546 722 L CB -0.058 41.978 42.059 -0.038 0.000 2.829 722 L HN 0.592 nan 8.230 nan 0.000 0.614 723 A N 0.354 123.129 122.820 -0.076 0.000 2.483 723 A HA 0.189 4.517 4.320 0.014 0.000 0.238 723 A C -0.278 177.261 177.584 -0.076 0.000 1.070 723 A CA 0.243 52.240 52.037 -0.066 0.000 0.770 723 A CB 0.057 19.035 19.000 -0.037 0.000 1.008 723 A HN 0.620 nan 8.150 nan 0.000 0.497 724 E N 1.143 121.302 120.200 -0.068 0.000 2.222 724 E HA 0.331 4.689 4.350 0.014 0.000 0.267 724 E C -1.365 175.220 176.600 -0.025 0.000 0.884 724 E CA -0.703 55.663 56.400 -0.058 0.000 0.764 724 E CB 0.880 30.534 29.700 -0.076 0.000 1.169 724 E HN 0.670 nan 8.360 nan 0.000 0.413 725 N N 5.102 123.799 118.700 -0.005 0.000 2.564 725 N HA 0.256 5.004 4.740 0.014 0.000 0.248 725 N C -0.649 174.870 175.510 0.016 0.000 0.986 725 N CA -0.343 52.711 53.050 0.006 0.000 0.921 725 N CB 1.112 39.607 38.487 0.012 0.000 1.136 725 N HN 0.496 nan 8.380 nan 0.000 0.509 726 L N 0.870 122.102 121.223 0.013 0.000 2.490 726 L HA 0.068 4.416 4.340 0.014 0.000 0.274 726 L C 1.349 178.236 176.870 0.027 0.000 1.201 726 L CA 0.176 55.029 54.840 0.022 0.000 0.869 726 L CB 0.392 42.462 42.059 0.020 0.000 1.123 726 L HN 0.357 nan 8.230 nan 0.000 0.484 727 S N 2.048 117.770 115.700 0.036 0.000 2.505 727 S HA 0.247 4.725 4.470 0.014 0.000 0.276 727 S C 0.524 175.143 174.600 0.032 0.000 1.274 727 S CA -0.794 57.428 58.200 0.037 0.000 1.053 727 S CB 0.815 64.043 63.200 0.045 0.000 0.919 727 S HN 0.471 nan 8.310 nan 0.000 0.490 728 V N 2.214 122.144 119.914 0.027 0.000 3.276 728 V HA 0.364 4.492 4.120 0.014 0.000 0.319 728 V C 0.500 176.608 176.094 0.023 0.000 1.427 728 V CA 0.036 62.350 62.300 0.024 0.000 1.102 728 V CB -0.636 31.198 31.823 0.019 0.000 1.020 728 V HN 0.864 nan 8.190 nan 0.000 0.456 729 T N 0.123 114.692 114.554 0.025 0.000 2.767 729 T HA 0.729 5.088 4.350 0.014 0.000 0.288 729 T C -0.360 174.355 174.700 0.025 0.000 0.963 729 T CA -0.457 61.657 62.100 0.023 0.000 1.019 729 T CB 1.604 70.486 68.868 0.023 0.000 0.923 729 T HN 0.204 nan 8.240 nan 0.000 0.468 730 L N 5.093 126.328 121.223 0.020 0.000 2.410 730 L HA 0.345 4.693 4.340 0.014 0.000 0.273 730 L C -1.365 175.516 176.870 0.018 0.000 1.152 730 L CA -1.369 53.482 54.840 0.018 0.000 0.855 730 L CB -0.437 41.628 42.059 0.011 0.000 1.129 730 L HN 0.594 nan 8.230 nan 0.000 0.463 731 P HA 0.146 nan 4.420 nan 0.000 0.269 731 P C -0.605 176.699 177.300 0.006 0.000 1.209 731 P CA -0.569 62.545 63.100 0.023 0.000 0.776 731 P CB 0.527 32.245 31.700 0.031 0.000 0.876 732 A N 2.387 125.213 122.820 0.009 0.000 2.580 732 A HA 0.343 4.672 4.320 0.014 0.000 0.244 732 A C 0.902 178.439 177.584 -0.079 0.000 1.045 732 A CA 0.205 52.235 52.037 -0.013 0.000 0.761 732 A CB -0.732 18.283 19.000 0.025 0.000 0.962 732 A HN 0.753 nan 8.150 nan 0.000 0.512 733 A N 3.570 126.324 122.820 -0.110 0.000 2.561 733 A HA 0.406 4.735 4.320 0.014 0.000 0.234 733 A C 0.911 178.258 177.584 -0.395 0.000 1.055 733 A CA 0.324 52.259 52.037 -0.170 0.000 0.756 733 A CB -0.236 18.696 19.000 -0.112 0.000 0.986 733 A HN 1.251 nan 8.150 nan 0.000 0.505 734 S N 2.483 118.001 115.700 -0.303 0.000 2.457 734 S HA 0.157 4.635 4.470 0.014 0.000 0.294 734 S C 0.769 175.210 174.600 -0.264 0.000 1.201 734 S CA -0.007 58.002 58.200 -0.318 0.000 1.112 734 S CB -0.140 63.009 63.200 -0.086 0.000 1.018 734 S HN 0.800 nan 8.310 nan 0.000 0.511 735 H N 2.487 121.573 119.070 0.027 0.000 2.290 735 H HA 0.130 4.695 4.556 0.014 0.000 0.298 735 H C 1.187 176.531 175.328 0.028 0.000 1.087 735 H CA 1.313 57.375 56.048 0.024 0.000 1.291 735 H CB -0.242 29.534 29.762 0.023 0.000 1.369 735 H HN 0.677 nan 8.280 nan 0.000 0.492 736 A N 0.490 123.435 122.820 0.208 0.000 2.352 736 A HA 0.659 4.987 4.320 0.014 0.000 0.299 736 A C -0.701 176.947 177.584 0.107 0.000 1.160 736 A CA -0.487 51.631 52.037 0.134 0.000 0.933 736 A CB 0.765 19.839 19.000 0.123 0.000 1.387 736 A HN 0.327 nan 8.150 nan 0.000 0.487 737 I N -0.646 119.992 120.570 0.112 0.000 2.571 737 I HA 0.604 4.783 4.170 0.014 0.000 0.289 737 I C -2.902 173.318 176.117 0.171 0.000 1.115 737 I CA -1.965 59.403 61.300 0.114 0.000 1.045 737 I CB 2.398 40.459 38.000 0.101 0.000 1.238 737 I HN 0.338 nan 8.210 nan 0.000 0.424 738 P HA 0.286 nan 4.420 nan 0.000 0.274 738 P C -1.367 176.110 177.300 0.295 0.000 1.237 738 P CA 0.048 63.258 63.100 0.184 0.000 0.793 738 P CB 0.352 32.117 31.700 0.108 0.000 0.977 739 H N 0.348 119.459 119.070 0.069 0.000 2.469 739 H HA 0.396 4.960 4.556 0.014 0.000 0.342 739 H C -0.608 174.758 175.328 0.062 0.000 1.115 739 H CA -1.022 55.055 56.048 0.049 0.000 1.204 739 H CB 1.785 31.575 29.762 0.046 0.000 1.492 739 H HN 0.262 nan 8.280 nan 0.000 0.499 740 L N 2.560 123.851 121.223 0.114 0.000 2.289 740 L HA 0.304 4.652 4.340 0.014 0.000 0.285 740 L C -0.430 176.502 176.870 0.103 0.000 1.049 740 L CA 0.092 54.984 54.840 0.087 0.000 0.804 740 L CB 1.413 43.467 42.059 -0.008 0.000 1.195 740 L HN 0.528 nan 8.230 nan 0.000 0.428 741 T N 3.497 118.140 114.554 0.148 0.000 2.841 741 T HA 0.549 4.907 4.350 0.014 0.000 0.285 741 T C -0.502 174.312 174.700 0.190 0.000 0.991 741 T CA -0.380 61.801 62.100 0.135 0.000 0.966 741 T CB 1.338 70.273 68.868 0.112 0.000 0.962 741 T HN 0.693 nan 8.240 nan 0.000 0.438 742 T N 2.650 117.308 114.554 0.175 0.000 2.885 742 T HA 0.798 5.156 4.350 0.014 0.000 0.285 742 T C -0.284 174.473 174.700 0.095 0.000 1.019 742 T CA -0.734 61.501 62.100 0.224 0.000 1.010 742 T CB 1.448 70.467 68.868 0.252 0.000 1.022 742 T HN 0.731 nan 8.240 nan 0.000 0.466 743 S N 0.423 116.133 115.700 0.016 0.000 2.638 743 S HA 0.438 4.917 4.470 0.014 0.000 0.274 743 S C 0.760 175.306 174.600 -0.090 0.000 1.157 743 S CA -0.883 57.305 58.200 -0.021 0.000 0.826 743 S CB 1.783 64.977 63.200 -0.011 0.000 1.139 743 S HN 0.748 nan 8.310 nan 0.000 0.474 744 E N -0.365 119.794 120.200 -0.069 0.000 2.153 744 E HA -0.166 4.192 4.350 0.014 0.000 0.194 744 E C 1.508 178.023 176.600 -0.141 0.000 0.988 744 E CA 1.297 57.640 56.400 -0.095 0.000 0.811 744 E CB -0.121 29.547 29.700 -0.053 0.000 0.746 744 E HN 0.637 nan 8.360 nan 0.000 0.466 745 M N 0.337 119.871 119.600 -0.110 0.000 2.501 745 M HA 0.113 4.602 4.480 0.014 0.000 0.261 745 M C -0.638 175.588 176.300 -0.123 0.000 1.129 745 M CA 0.696 55.938 55.300 -0.097 0.000 1.126 745 M CB 0.828 33.404 32.600 -0.039 0.000 1.359 745 M HN -0.169 nan 8.290 nan 0.000 0.471 746 D N -1.382 118.926 120.400 -0.153 0.000 2.602 746 D HA 0.286 4.934 4.640 0.014 0.000 0.236 746 D C -1.521 174.688 176.300 -0.151 0.000 1.209 746 D CA -0.294 53.638 54.000 -0.113 0.000 0.831 746 D CB 1.509 42.334 40.800 0.040 0.000 1.478 746 D HN -0.001 nan 8.370 nan 0.000 0.438 747 F N 0.925 120.965 119.950 0.150 0.000 2.427 747 F HA 0.366 4.901 4.527 0.014 0.000 0.348 747 F C 0.021 175.964 175.800 0.239 0.000 1.125 747 F CA -0.763 57.324 58.000 0.146 0.000 0.989 747 F CB 1.361 40.410 39.000 0.082 0.000 1.165 747 F HN 0.065 nan 8.300 nan 0.000 0.442 748 C N 4.596 124.124 119.300 0.381 0.000 2.417 748 C HA 0.750 5.218 4.460 0.014 0.000 0.324 748 C C -0.367 174.808 174.990 0.308 0.000 1.240 748 C CA -0.788 58.425 59.018 0.326 0.000 1.632 748 C CB 0.789 28.650 27.740 0.201 0.000 2.241 748 C HN 0.517 nan 8.230 nan 0.000 0.499 749 I N 2.393 123.192 120.570 0.382 0.000 2.498 749 I HA 0.479 4.658 4.170 0.014 0.000 0.290 749 I C -0.141 176.241 176.117 0.442 0.000 1.032 749 I CA -0.242 61.276 61.300 0.364 0.000 1.073 749 I CB 1.444 39.659 38.000 0.358 0.000 1.251 749 I HN 0.671 nan 8.210 nan 0.000 0.426 750 E N 5.906 126.292 120.200 0.310 0.000 2.238 750 E HA 0.766 5.125 4.350 0.014 0.000 0.267 750 E C -1.853 174.889 176.600 0.237 0.000 0.887 750 E CA -0.851 55.689 56.400 0.233 0.000 0.769 750 E CB 2.222 31.965 29.700 0.072 0.000 1.187 750 E HN 0.554 nan 8.360 nan 0.000 0.416 751 L N 4.874 126.243 121.223 0.243 0.000 2.541 751 L HA 0.518 4.866 4.340 0.014 0.000 0.266 751 L C 0.184 177.107 176.870 0.089 0.000 0.966 751 L CA 0.601 55.561 54.840 0.200 0.000 0.871 751 L CB 1.378 43.630 42.059 0.321 0.000 1.232 751 L HN 0.837 nan 8.230 nan 0.000 0.408 752 G N 4.281 113.091 108.800 0.018 0.000 2.634 752 G HA2 -0.424 3.544 3.960 0.014 0.000 0.309 752 G HA3 -0.424 3.544 3.960 0.014 0.000 0.309 752 G C 0.448 175.323 174.900 -0.042 0.000 1.265 752 G CA 0.622 45.713 45.100 -0.016 0.000 0.998 752 G HN 1.253 nan 8.290 nan 0.000 0.551 753 N N 1.421 120.090 118.700 -0.052 0.000 2.322 753 N HA 0.138 4.886 4.740 0.014 0.000 0.216 753 N C 0.166 175.609 175.510 -0.112 0.000 1.144 753 N CA 0.560 53.563 53.050 -0.078 0.000 0.830 753 N CB 0.223 38.669 38.487 -0.070 0.000 1.034 753 N HN 0.730 nan 8.380 nan 0.000 0.484 754 K N 0.767 121.091 120.400 -0.127 0.000 2.207 754 K HA 0.508 4.836 4.320 0.014 0.000 0.255 754 K C -0.288 176.115 176.600 -0.329 0.000 0.941 754 K CA -0.690 55.410 56.287 -0.312 0.000 0.825 754 K CB 1.958 34.199 32.500 -0.432 0.000 1.119 754 K HN 0.136 nan 8.250 nan 0.000 0.430 755 R N 2.015 122.241 120.500 -0.457 0.000 2.651 755 R HA 0.448 4.796 4.340 0.014 0.000 0.278 755 R C -1.179 175.031 176.300 -0.150 0.000 1.010 755 R CA -0.975 55.046 56.100 -0.133 0.000 0.896 755 R CB 1.791 32.049 30.300 -0.070 0.000 1.211 755 R HN 0.552 nan 8.270 nan 0.000 0.456 756 W N 1.950 123.368 121.300 0.197 0.000 2.839 756 W HA 0.341 5.009 4.660 0.014 0.000 0.334 756 W C -0.538 176.050 176.519 0.114 0.000 1.064 756 W CA -0.618 56.763 57.345 0.060 0.000 1.236 756 W CB 2.578 32.045 29.460 0.012 0.000 1.405 756 W HN 0.490 nan 8.180 nan 0.000 0.478 757 Q N 2.628 122.526 119.800 0.165 0.000 2.325 757 Q HA 0.450 4.799 4.340 0.014 0.000 0.270 757 Q C -1.855 174.072 176.000 -0.121 0.000 1.020 757 Q CA -0.489 55.412 55.803 0.163 0.000 0.785 757 Q CB 1.408 30.311 28.738 0.276 0.000 1.259 757 Q HN 0.357 nan 8.270 nan 0.000 0.452 758 F N 2.865 122.902 119.950 0.145 0.000 2.426 758 F HA 0.313 4.848 4.527 0.013 0.000 0.348 758 F C 0.556 176.382 175.800 0.044 0.000 1.124 758 F CA -0.869 57.180 58.000 0.081 0.000 1.008 758 F CB 1.260 40.311 39.000 0.086 0.000 1.139 758 F HN 0.493 nan 8.300 nan 0.000 0.452 759 N N 3.579 122.382 118.700 0.173 0.000 2.452 759 N HA 0.076 4.824 4.740 0.014 0.000 0.266 759 N C 0.792 176.316 175.510 0.024 0.000 1.175 759 N CA 0.062 53.162 53.050 0.083 0.000 0.945 759 N CB 0.744 39.289 38.487 0.097 0.000 1.063 759 N HN 0.695 nan 8.380 nan 0.000 0.472 760 R N 2.258 122.705 120.500 -0.088 0.000 2.299 760 R HA -0.042 4.306 4.340 0.014 0.000 0.197 760 R C 1.593 177.833 176.300 -0.100 0.000 0.971 760 R CA 0.477 56.480 56.100 -0.161 0.000 1.030 760 R CB 0.230 30.324 30.300 -0.343 0.000 0.932 760 R HN 0.681 nan 8.270 nan 0.000 0.477 761 Q N 0.404 120.173 119.800 -0.051 0.000 2.204 761 Q HA -0.052 4.296 4.340 0.014 0.000 0.198 761 Q C 1.721 177.711 176.000 -0.017 0.000 0.946 761 Q CA 1.448 57.230 55.803 -0.034 0.000 0.859 761 Q CB 0.347 29.081 28.738 -0.008 0.000 0.946 761 Q HN 0.272 nan 8.270 nan 0.000 0.474 762 S N -1.799 113.913 115.700 0.020 0.000 2.486 762 S HA 0.231 4.710 4.470 0.014 0.000 0.220 762 S C 1.419 175.944 174.600 -0.125 0.000 1.011 762 S CA 0.502 58.732 58.200 0.050 0.000 0.921 762 S CB 0.543 63.879 63.200 0.227 0.000 0.785 762 S HN 0.639 nan 8.310 nan 0.000 0.517 763 G N 0.430 109.164 108.800 -0.111 0.000 2.148 763 G HA2 -0.231 3.737 3.960 0.014 0.000 0.254 763 G HA3 -0.231 3.737 3.960 0.014 0.000 0.254 763 G C -0.105 174.689 174.900 -0.177 0.000 0.981 763 G CA 0.328 45.329 45.100 -0.165 0.000 0.670 763 G HN 0.539 nan 8.290 nan 0.000 0.528 764 F N -1.252 118.882 119.950 0.307 0.000 2.556 764 F HA 0.669 5.204 4.527 0.014 0.000 0.327 764 F C 0.503 176.372 175.800 0.115 0.000 1.059 764 F CA -1.477 56.679 58.000 0.261 0.000 0.953 764 F CB 1.414 40.518 39.000 0.174 0.000 1.227 764 F HN -0.002 nan 8.300 nan 0.000 0.478 765 L N 2.074 123.388 121.223 0.152 0.000 2.565 765 L HA 0.112 4.460 4.340 0.014 0.000 0.275 765 L C 1.040 177.819 176.870 -0.152 0.000 1.137 765 L CA 0.515 55.091 54.840 -0.441 0.000 0.915 765 L CB 0.273 42.063 42.059 -0.449 0.000 1.232 765 L HN 0.715 nan 8.230 nan 0.000 0.473 766 S N 2.661 118.264 115.700 -0.162 0.000 2.503 766 S HA 0.254 4.732 4.470 0.014 0.000 0.215 766 S C 0.547 175.026 174.600 -0.202 0.000 1.003 766 S CA -0.087 58.060 58.200 -0.088 0.000 0.910 766 S CB 0.148 63.345 63.200 -0.004 0.000 0.790 766 S HN 0.679 nan 8.310 nan 0.000 0.514 767 Q N -0.077 119.537 119.800 -0.310 0.000 2.472 767 Q HA 0.671 5.019 4.340 0.014 0.000 0.281 767 Q C -1.975 173.647 176.000 -0.630 0.000 0.997 767 Q CA -0.283 55.199 55.803 -0.535 0.000 0.828 767 Q CB 1.781 30.083 28.738 -0.727 0.000 1.443 767 Q HN 0.455 nan 8.270 nan 0.000 0.390 768 M N 1.665 120.775 119.600 -0.818 0.000 2.484 768 M HA 0.603 5.091 4.480 0.014 0.000 0.289 768 M C -1.447 174.443 176.300 -0.684 0.000 1.206 768 M CA -0.451 54.463 55.300 -0.643 0.000 0.892 768 M CB 2.319 34.544 32.600 -0.625 0.000 1.712 768 M HN 0.482 nan 8.290 nan 0.000 0.462 769 W N 2.882 123.952 121.300 -0.384 0.000 2.915 769 W HA 0.643 5.311 4.660 0.014 0.000 0.337 769 W C -1.342 174.983 176.519 -0.323 0.000 1.102 769 W CA -0.700 56.476 57.345 -0.280 0.000 1.224 769 W CB 1.662 30.997 29.460 -0.209 0.000 1.416 769 W HN 0.473 nan 8.180 nan 0.000 0.503 770 I N 2.544 123.108 120.570 -0.010 0.000 2.382 770 I HA 0.431 4.609 4.170 0.014 0.000 0.286 770 I C 0.869 176.972 176.117 -0.024 0.000 1.002 770 I CA 0.447 61.699 61.300 -0.080 0.000 1.135 770 I CB 1.078 39.013 38.000 -0.109 0.000 1.288 770 I HN 0.745 nan 8.210 nan 0.000 0.448 771 G N 5.774 114.550 108.800 -0.041 0.000 2.550 771 G HA2 -0.337 3.631 3.960 0.014 0.000 0.277 771 G HA3 -0.337 3.631 3.960 0.014 0.000 0.277 771 G C 0.080 174.983 174.900 0.004 0.000 1.190 771 G CA 0.598 45.677 45.100 -0.034 0.000 0.971 771 G HN 0.771 nan 8.290 nan 0.000 0.559 772 D N 0.473 120.885 120.400 0.020 0.000 2.388 772 D HA 0.401 5.049 4.640 0.014 0.000 0.221 772 D C 0.655 177.073 176.300 0.196 0.000 1.133 772 D CA 0.426 54.471 54.000 0.074 0.000 0.831 772 D CB 0.553 41.363 40.800 0.016 0.000 0.962 772 D HN 0.593 nan 8.370 nan 0.000 0.502 773 K N 1.433 121.916 120.400 0.137 0.000 2.234 773 K HA 0.222 4.550 4.320 0.014 0.000 0.277 773 K C -0.321 176.275 176.600 -0.005 0.000 1.038 773 K CA -0.601 55.727 56.287 0.069 0.000 0.888 773 K CB 0.777 33.274 32.500 -0.005 0.000 1.091 773 K HN -0.224 nan 8.250 nan 0.000 0.467 774 K N 3.145 123.479 120.400 -0.111 0.000 2.401 774 K HA 0.013 4.341 4.320 0.014 0.000 0.278 774 K C 0.497 176.925 176.600 -0.287 0.000 1.018 774 K CA -0.102 55.933 56.287 -0.420 0.000 0.981 774 K CB 0.786 33.065 32.500 -0.369 0.000 0.933 774 K HN 0.618 nan 8.250 nan 0.000 0.477 775 Q N 1.563 121.158 119.800 -0.343 0.000 2.378 775 Q HA 0.168 4.516 4.340 0.014 0.000 0.216 775 Q C 0.073 176.007 176.000 -0.110 0.000 0.892 775 Q CA 0.459 56.180 55.803 -0.135 0.000 0.931 775 Q CB 0.511 29.220 28.738 -0.049 0.000 1.086 775 Q HN 0.499 nan 8.270 nan 0.000 0.528 776 L N 0.697 121.784 121.223 -0.228 0.000 2.346 776 L HA 0.391 4.739 4.340 0.014 0.000 0.274 776 L C 0.948 177.694 176.870 -0.207 0.000 1.007 776 L CA -0.379 54.344 54.840 -0.195 0.000 0.818 776 L CB 1.668 43.600 42.059 -0.212 0.000 1.284 776 L HN -0.091 nan 8.230 nan 0.000 0.424 777 L N 0.315 121.413 121.223 -0.208 0.000 2.470 777 L HA 0.239 4.587 4.340 0.014 0.000 0.219 777 L C 0.214 176.980 176.870 -0.173 0.000 1.071 777 L CA 0.698 55.425 54.840 -0.189 0.000 0.850 777 L CB 0.443 42.378 42.059 -0.207 0.000 1.040 777 L HN 0.610 nan 8.230 nan 0.000 0.475 778 T N 0.193 114.615 114.554 -0.220 0.000 2.916 778 T HA 0.409 4.768 4.350 0.014 0.000 0.298 778 T C -2.554 172.075 174.700 -0.118 0.000 1.031 778 T CA -1.123 60.892 62.100 -0.142 0.000 0.993 778 T CB 2.577 71.341 68.868 -0.173 0.000 1.045 778 T HN -0.260 nan 8.240 nan 0.000 0.454 779 P HA 0.183 nan 4.420 nan 0.000 0.271 779 P C -0.643 176.627 177.300 -0.049 0.000 1.233 779 P CA -0.714 62.361 63.100 -0.042 0.000 0.789 779 P CB 0.432 32.146 31.700 0.023 0.000 0.951 780 L N 2.916 124.145 121.223 0.010 0.000 2.325 780 L HA 0.265 4.614 4.340 0.014 0.000 0.284 780 L C 0.075 176.903 176.870 -0.070 0.000 1.089 780 L CA 0.570 55.447 54.840 0.061 0.000 0.836 780 L CB -0.528 41.672 42.059 0.235 0.000 1.184 780 L HN 0.272 nan 8.230 nan 0.000 0.444 781 R N 2.827 123.176 120.500 -0.252 0.000 2.854 781 R HA 0.470 4.818 4.340 0.014 0.000 0.271 781 R C -0.932 175.207 176.300 -0.268 0.000 0.994 781 R CA -1.077 54.661 56.100 -0.602 0.000 0.945 781 R CB 1.227 31.061 30.300 -0.777 0.000 1.194 781 R HN 0.541 nan 8.270 nan 0.000 0.476 782 D N 1.116 121.427 120.400 -0.147 0.000 2.382 782 D HA 0.041 4.689 4.640 0.014 0.000 0.240 782 D C -0.426 175.526 176.300 -0.580 0.000 1.146 782 D CA 0.473 54.282 54.000 -0.319 0.000 0.897 782 D CB 0.661 41.245 40.800 -0.359 0.000 1.197 782 D HN 0.211 nan 8.370 nan 0.000 0.432 783 Q N 0.983 120.235 119.800 -0.914 0.000 2.285 783 Q HA 0.355 4.703 4.340 0.014 0.000 0.269 783 Q C -1.276 173.991 176.000 -1.222 0.000 1.030 783 Q CA -0.566 54.750 55.803 -0.810 0.000 0.788 783 Q CB 0.833 29.299 28.738 -0.453 0.000 1.266 783 Q HN 0.549 nan 8.270 nan 0.000 0.438 784 F N 0.651 120.229 119.950 -0.620 0.000 2.746 784 F HA 0.209 4.744 4.527 0.013 0.000 0.320 784 F C 0.526 175.902 175.800 -0.707 0.000 1.097 784 F CA -0.172 57.346 58.000 -0.803 0.000 1.195 784 F CB 1.514 39.725 39.000 -1.314 0.000 1.056 784 F HN 0.446 nan 8.300 nan 0.000 0.562 785 T N -0.791 113.472 114.554 -0.484 0.000 2.888 785 T HA 0.795 5.153 4.350 0.014 0.000 0.288 785 T C -0.566 173.910 174.700 -0.374 0.000 1.063 785 T CA -1.016 60.741 62.100 -0.572 0.000 1.010 785 T CB 2.689 71.162 68.868 -0.660 0.000 1.214 785 T HN 0.226 nan 8.240 nan 0.000 0.533 786 R N -0.324 120.016 120.500 -0.268 0.000 2.771 786 R HA 0.774 5.122 4.340 0.014 0.000 0.274 786 R C -0.842 175.531 176.300 0.121 0.000 0.987 786 R CA -1.268 54.790 56.100 -0.071 0.000 0.908 786 R CB 1.538 31.801 30.300 -0.063 0.000 1.213 786 R HN 0.819 nan 8.270 nan 0.000 0.468 787 A N 3.538 126.405 122.820 0.079 0.000 2.484 787 A HA 0.277 4.605 4.320 0.014 0.000 0.268 787 A C -1.959 175.698 177.584 0.122 0.000 1.114 787 A CA -1.275 50.804 52.037 0.069 0.000 0.780 787 A CB -0.513 18.476 19.000 -0.019 0.000 1.061 787 A HN 0.560 nan 8.150 nan 0.000 0.505 788 P HA 0.062 nan 4.420 nan 0.000 0.264 788 P C -0.256 177.167 177.300 0.205 0.000 1.183 788 P CA 0.481 63.744 63.100 0.272 0.000 0.763 788 P CB 0.359 32.242 31.700 0.305 0.000 0.807 789 L N 2.458 123.773 121.223 0.152 0.000 2.456 789 L HA 0.182 4.530 4.340 0.014 0.000 0.257 789 L C 1.831 178.750 176.870 0.081 0.000 1.162 789 L CA -0.532 54.344 54.840 0.060 0.000 0.808 789 L CB 0.015 42.042 42.059 -0.052 0.000 1.136 789 L HN 0.288 nan 8.230 nan 0.000 0.466 790 D N 0.385 120.796 120.400 0.019 0.000 2.158 790 D HA -0.165 4.483 4.640 0.014 0.000 0.197 790 D C 1.588 177.888 176.300 -0.001 0.000 0.995 790 D CA 1.405 55.378 54.000 -0.045 0.000 0.846 790 D CB 0.034 40.775 40.800 -0.098 0.000 0.941 790 D HN 0.465 nan 8.370 nan 0.000 0.456 791 N N 0.939 119.635 118.700 -0.006 0.000 2.309 791 N HA -0.100 4.648 4.740 0.014 0.000 0.182 791 N C 1.105 176.646 175.510 0.053 0.000 1.018 791 N CA 0.647 53.705 53.050 0.012 0.000 0.876 791 N CB -0.119 38.361 38.487 -0.011 0.000 0.972 791 N HN 0.256 nan 8.380 nan 0.000 0.434 792 D N 0.267 120.714 120.400 0.080 0.000 2.224 792 D HA 0.037 4.685 4.640 0.014 0.000 0.205 792 D C 1.889 178.240 176.300 0.086 0.000 0.965 792 D CA 0.379 54.457 54.000 0.130 0.000 0.852 792 D CB 0.240 41.193 40.800 0.256 0.000 0.947 792 D HN 0.329 nan 8.370 nan 0.000 0.494 793 I N 0.141 120.748 120.570 0.061 0.000 2.585 793 I HA 0.060 4.238 4.170 0.014 0.000 0.254 793 I C 1.739 177.851 176.117 -0.009 0.000 1.129 793 I CA 0.525 61.839 61.300 0.023 0.000 1.455 793 I CB -0.144 37.854 38.000 -0.003 0.000 1.111 793 I HN 0.035 nan 8.210 nan 0.000 0.433 794 G N 1.332 110.136 108.800 0.006 0.000 2.596 794 G HA2 -0.342 3.626 3.960 0.014 0.000 0.295 794 G HA3 -0.342 3.626 3.960 0.014 0.000 0.295 794 G C 0.619 175.509 174.900 -0.017 0.000 1.240 794 G CA 0.603 45.713 45.100 0.017 0.000 0.985 794 G HN 0.502 nan 8.290 nan 0.000 0.555 795 V N -2.140 117.749 119.914 -0.041 0.000 3.415 795 V HA 0.603 4.732 4.120 0.014 0.000 0.325 795 V C 1.246 177.281 176.094 -0.098 0.000 1.313 795 V CA 1.043 63.277 62.300 -0.110 0.000 1.228 795 V CB 0.007 31.728 31.823 -0.170 0.000 1.131 795 V HN 1.117 nan 8.190 nan 0.000 0.433 796 S N 1.838 117.496 115.700 -0.071 0.000 2.670 796 S HA 0.100 4.578 4.470 0.014 0.000 0.308 796 S C 0.176 174.744 174.600 -0.054 0.000 1.232 796 S CA 0.462 58.627 58.200 -0.058 0.000 1.126 796 S CB -0.355 62.818 63.200 -0.045 0.000 0.897 796 S HN 0.833 nan 8.310 nan 0.000 0.508 797 E N 1.970 122.141 120.200 -0.049 0.000 2.256 797 E HA 0.520 4.878 4.350 0.014 0.000 0.267 797 E C 0.482 177.071 176.600 -0.019 0.000 0.892 797 E CA -0.589 55.790 56.400 -0.035 0.000 0.775 797 E CB 1.444 31.117 29.700 -0.045 0.000 1.207 797 E HN 0.597 nan 8.360 nan 0.000 0.420 798 A N 1.694 124.512 122.820 -0.003 0.000 2.121 798 A HA -0.137 4.191 4.320 0.014 0.000 0.218 798 A C 1.923 179.506 177.584 -0.001 0.000 1.154 798 A CA 1.933 53.971 52.037 0.002 0.000 0.679 798 A CB -0.605 18.403 19.000 0.013 0.000 0.795 798 A HN 0.703 nan 8.150 nan 0.000 0.458 799 T N -1.521 113.029 114.554 -0.007 0.000 2.671 799 T HA -0.031 4.327 4.350 0.014 0.000 0.250 799 T C 1.204 175.892 174.700 -0.021 0.000 1.068 799 T CA 0.923 63.017 62.100 -0.011 0.000 1.177 799 T CB -0.163 68.697 68.868 -0.013 0.000 0.876 799 T HN 0.281 nan 8.240 nan 0.000 0.405 800 R N 1.330 121.810 120.500 -0.033 0.000 3.436 800 R HA 0.368 4.716 4.340 0.014 0.000 0.247 800 R C -0.472 175.798 176.300 -0.050 0.000 1.434 800 R CA -0.524 55.548 56.100 -0.046 0.000 1.543 800 R CB -0.306 29.958 30.300 -0.061 0.000 1.289 800 R HN 0.449 nan 8.270 nan 0.000 0.664 801 I N 1.862 122.407 120.570 -0.040 0.000 2.752 801 I HA -0.108 4.070 4.170 0.014 0.000 0.289 801 I C 0.418 176.502 176.117 -0.055 0.000 1.197 801 I CA 0.562 61.837 61.300 -0.042 0.000 1.432 801 I CB 0.357 38.338 38.000 -0.031 0.000 1.359 801 I HN 0.456 nan 8.210 nan 0.000 0.571 802 D N 9.759 130.120 120.400 -0.064 0.000 2.412 802 D HA 0.269 4.917 4.640 0.014 0.000 0.224 802 D C -1.554 174.690 176.300 -0.093 0.000 1.093 802 D CA -2.195 51.759 54.000 -0.077 0.000 0.850 802 D CB 1.583 42.335 40.800 -0.080 0.000 1.046 802 D HN 0.216 nan 8.370 nan 0.000 0.507 803 P HA -0.118 nan 4.420 nan 0.000 0.222 803 P C 0.798 177.998 177.300 -0.166 0.000 1.147 803 P CA 0.741 63.774 63.100 -0.112 0.000 0.790 803 P CB 0.244 31.889 31.700 -0.092 0.000 0.780 804 N N -0.250 118.344 118.700 -0.176 0.000 2.422 804 N HA 0.024 4.773 4.740 0.014 0.000 0.181 804 N C 0.426 175.729 175.510 -0.345 0.000 1.080 804 N CA -0.147 52.754 53.050 -0.247 0.000 0.893 804 N CB 0.048 38.422 38.487 -0.190 0.000 0.973 804 N HN -0.035 nan 8.380 nan 0.000 0.456 805 A N 0.377 123.037 122.820 -0.266 0.000 2.445 805 A HA 0.048 4.377 4.320 0.014 0.000 0.242 805 A C 0.584 177.928 177.584 -0.400 0.000 1.075 805 A CA -0.416 51.457 52.037 -0.273 0.000 0.777 805 A CB -0.133 18.784 19.000 -0.138 0.000 1.013 805 A HN 0.463 nan 8.150 nan 0.000 0.493 806 W N 1.497 122.538 121.300 -0.433 0.000 2.318 806 W HA -0.194 4.474 4.660 0.013 0.000 0.313 806 W C 2.228 178.118 176.519 -1.049 0.000 1.221 806 W CA 1.777 58.584 57.345 -0.897 0.000 1.266 806 W CB -0.432 28.397 29.460 -1.052 0.000 1.150 806 W HN 0.541 nan 8.180 nan 0.000 0.496 807 V N 0.724 120.485 119.914 -0.256 0.000 2.343 807 V HA -0.267 3.861 4.120 0.014 0.000 0.247 807 V C 2.226 178.372 176.094 0.087 0.000 1.051 807 V CA 2.113 64.473 62.300 0.099 0.000 1.036 807 V CB -0.380 31.558 31.823 0.191 0.000 0.654 807 V HN 0.072 nan 8.190 nan 0.000 0.451 808 E N -0.058 120.108 120.200 -0.056 0.000 2.072 808 E HA -0.178 4.180 4.350 0.014 0.000 0.191 808 E C 2.362 178.911 176.600 -0.084 0.000 0.985 808 E CA 1.200 57.568 56.400 -0.053 0.000 0.801 808 E CB -0.320 29.324 29.700 -0.093 0.000 0.750 808 E HN 0.605 nan 8.360 nan 0.000 0.452 809 R N -0.302 120.068 120.500 -0.217 0.000 2.075 809 R HA -0.114 4.235 4.340 0.014 0.000 0.232 809 R C 2.326 178.539 176.300 -0.145 0.000 1.126 809 R CA 1.262 57.214 56.100 -0.247 0.000 0.963 809 R CB -0.193 29.839 30.300 -0.447 0.000 0.858 809 R HN 0.249 nan 8.270 nan 0.000 0.435 810 W N 1.446 122.713 121.300 -0.055 0.000 2.355 810 W HA -0.085 4.583 4.660 0.014 0.000 0.309 810 W C 1.972 178.438 176.519 -0.088 0.000 1.206 810 W CA 0.722 57.934 57.345 -0.222 0.000 1.284 810 W CB -0.701 28.750 29.460 -0.014 0.000 1.145 810 W HN 0.094 nan 8.180 nan 0.000 0.502 811 K N 0.159 120.765 120.400 0.343 0.000 2.002 811 K HA -0.100 4.228 4.320 0.014 0.000 0.209 811 K C 2.290 178.943 176.600 0.088 0.000 1.048 811 K CA 1.916 58.368 56.287 0.276 0.000 0.930 811 K CB -0.653 31.958 32.500 0.184 0.000 0.714 811 K HN -0.025 nan 8.250 nan 0.000 0.438 812 A N 0.953 123.795 122.820 0.035 0.000 2.019 812 A HA -0.095 4.233 4.320 0.014 0.000 0.219 812 A C 2.135 179.706 177.584 -0.021 0.000 1.164 812 A CA 1.795 53.836 52.037 0.007 0.000 0.644 812 A CB -0.537 18.455 19.000 -0.013 0.000 0.805 812 A HN 0.352 nan 8.150 nan 0.000 0.449 813 A N -1.964 120.815 122.820 -0.068 0.000 2.238 813 A HA 0.412 4.741 4.320 0.014 0.000 0.208 813 A C 1.794 179.294 177.584 -0.141 0.000 1.177 813 A CA 1.177 53.177 52.037 -0.062 0.000 0.804 813 A CB -0.813 18.116 19.000 -0.118 0.000 0.823 813 A HN 1.844 nan 8.150 nan 0.000 0.482 814 G N -1.401 107.200 108.800 -0.332 0.000 2.141 814 G HA2 -0.315 3.653 3.960 0.014 0.000 0.242 814 G HA3 -0.315 3.653 3.960 0.014 0.000 0.242 814 G C 0.601 175.469 174.900 -0.053 0.000 0.982 814 G CA 0.706 45.383 45.100 -0.704 0.000 0.662 814 G HN 0.756 nan 8.290 nan 0.000 0.527 815 H N -1.464 117.573 119.070 -0.056 0.000 2.387 815 H HA -0.080 4.484 4.556 0.014 0.000 0.299 815 H C 2.255 177.543 175.328 -0.067 0.000 1.090 815 H CA 1.555 57.582 56.048 -0.036 0.000 1.332 815 H CB 0.033 29.724 29.762 -0.119 0.000 1.386 815 H HN 0.592 nan 8.280 nan 0.000 0.516 816 Y N 0.569 120.994 120.300 0.209 0.000 2.439 816 Y HA -0.112 4.446 4.550 0.013 0.000 0.292 816 Y C 2.046 178.036 175.900 0.150 0.000 1.130 816 Y CA 0.773 58.963 58.100 0.149 0.000 1.254 816 Y CB 0.290 38.820 38.460 0.116 0.000 1.000 816 Y HN 0.165 nan 8.280 nan 0.000 0.554 817 Q N -0.326 119.636 119.800 0.269 0.000 2.319 817 Q HA 0.301 4.650 4.340 0.014 0.000 0.209 817 Q C 0.668 176.852 176.000 0.306 0.000 0.884 817 Q CA -0.066 55.892 55.803 0.258 0.000 0.938 817 Q CB 0.553 29.435 28.738 0.239 0.000 1.098 817 Q HN 0.287 nan 8.270 nan 0.000 0.517 818 A N 1.445 124.467 122.820 0.337 0.000 2.555 818 A HA -0.009 4.320 4.320 0.014 0.000 0.233 818 A C -0.031 177.830 177.584 0.460 0.000 1.060 818 A CA 0.425 52.721 52.037 0.432 0.000 0.759 818 A CB 0.262 19.582 19.000 0.533 0.000 0.995 818 A HN 0.148 nan 8.150 nan 0.000 0.506 819 E N 0.514 120.898 120.200 0.307 0.000 2.183 819 E HA 0.461 4.819 4.350 0.014 0.000 0.271 819 E C -0.492 176.032 176.600 -0.127 0.000 0.919 819 E CA -0.583 55.909 56.400 0.153 0.000 0.781 819 E CB 1.993 31.764 29.700 0.117 0.000 1.140 819 E HN 0.715 nan 8.360 nan 0.000 0.402 820 A N 2.500 125.138 122.820 -0.302 0.000 2.805 820 A HA 0.417 4.745 4.320 0.014 0.000 0.301 820 A C 0.333 177.761 177.584 -0.260 0.000 1.557 820 A CA -0.244 51.377 52.037 -0.694 0.000 1.254 820 A CB -0.420 18.257 19.000 -0.539 0.000 1.114 820 A HN 0.557 nan 8.150 nan 0.000 0.553 821 A N 2.385 125.073 122.820 -0.221 0.000 2.488 821 A HA 0.452 4.780 4.320 0.014 0.000 0.249 821 A C 0.121 177.639 177.584 -0.111 0.000 1.083 821 A CA -0.310 51.666 52.037 -0.103 0.000 0.768 821 A CB -0.045 18.915 19.000 -0.067 0.000 1.017 821 A HN 1.152 nan 8.150 nan 0.000 0.496 822 L N 3.449 124.599 121.223 -0.121 0.000 2.361 822 L HA 0.297 4.646 4.340 0.014 0.000 0.278 822 L C 0.599 177.351 176.870 -0.197 0.000 1.113 822 L CA 0.353 55.038 54.840 -0.257 0.000 0.849 822 L CB 0.299 42.218 42.059 -0.233 0.000 1.155 822 L HN 0.743 nan 8.230 nan 0.000 0.452 823 L N 3.511 124.604 121.223 -0.216 0.000 2.470 823 L HA 0.310 4.658 4.340 0.014 0.000 0.219 823 L C 0.477 177.284 176.870 -0.104 0.000 1.071 823 L CA 0.076 54.848 54.840 -0.113 0.000 0.850 823 L CB -0.011 42.013 42.059 -0.058 0.000 1.040 823 L HN 0.742 nan 8.230 nan 0.000 0.475 824 Q N -0.388 119.321 119.800 -0.151 0.000 2.503 824 Q HA 0.307 4.655 4.340 0.014 0.000 0.268 824 Q C -2.095 173.847 176.000 -0.096 0.000 0.982 824 Q CA -0.562 55.188 55.803 -0.088 0.000 0.907 824 Q CB 2.842 31.554 28.738 -0.043 0.000 1.467 824 Q HN 0.046 nan 8.270 nan 0.000 0.394 825 C N 3.391 122.678 119.300 -0.023 0.000 2.789 825 C HA 0.787 5.255 4.460 0.014 0.000 0.367 825 C C -0.750 174.354 174.990 0.191 0.000 1.062 825 C CA 0.514 59.563 59.018 0.051 0.000 1.297 825 C CB 0.489 28.243 27.740 0.023 0.000 1.794 825 C HN 0.835 nan 8.230 nan 0.000 0.474 826 T N 2.319 116.940 114.554 0.112 0.000 2.887 826 T HA 0.925 5.283 4.350 0.014 0.000 0.292 826 T C -0.527 173.978 174.700 -0.325 0.000 1.087 826 T CA -0.336 61.775 62.100 0.019 0.000 1.009 826 T CB 1.965 70.816 68.868 -0.029 0.000 1.203 826 T HN 1.652 nan 8.240 nan 0.000 0.518 827 A N 1.016 123.472 122.820 -0.608 0.000 2.422 827 A HA 0.752 5.080 4.320 0.014 0.000 0.302 827 A C -1.349 175.988 177.584 -0.412 0.000 1.041 827 A CA -0.747 50.836 52.037 -0.757 0.000 0.708 827 A CB 1.353 19.476 19.000 -1.462 0.000 1.257 827 A HN 0.870 nan 8.150 nan 0.000 0.414 828 D N 0.946 121.169 120.400 -0.295 0.000 2.671 828 D HA 0.489 5.137 4.640 0.014 0.000 0.232 828 D C -0.929 175.275 176.300 -0.160 0.000 1.114 828 D CA -0.029 53.858 54.000 -0.187 0.000 0.858 828 D CB 2.422 43.144 40.800 -0.131 0.000 1.544 828 D HN 0.438 nan 8.370 nan 0.000 0.471 829 T N 1.821 116.301 114.554 -0.123 0.000 2.799 829 T HA 0.500 4.858 4.350 0.014 0.000 0.286 829 T C 0.582 175.237 174.700 -0.075 0.000 0.973 829 T CA -0.455 61.586 62.100 -0.099 0.000 1.035 829 T CB 0.930 69.743 68.868 -0.092 0.000 0.932 829 T HN 0.123 nan 8.240 nan 0.000 0.469 830 L N 1.287 122.472 121.223 -0.063 0.000 2.391 830 L HA 0.656 5.004 4.340 0.014 0.000 0.266 830 L C 2.001 178.850 176.870 -0.035 0.000 1.035 830 L CA -1.347 53.465 54.840 -0.047 0.000 0.877 830 L CB 0.218 42.251 42.059 -0.044 0.000 1.504 830 L HN 0.678 nan 8.230 nan 0.000 0.503 831 A N 0.540 123.345 122.820 -0.026 0.000 1.865 831 A HA -0.173 4.155 4.320 0.014 0.000 0.217 831 A C 1.113 178.691 177.584 -0.010 0.000 1.191 831 A CA 2.154 54.181 52.037 -0.017 0.000 0.623 831 A CB -0.543 18.448 19.000 -0.015 0.000 0.826 831 A HN 0.899 nan 8.150 nan 0.000 0.444 832 D N -2.304 118.090 120.400 -0.010 0.000 2.599 832 D HA 0.575 5.223 4.640 0.014 0.000 0.249 832 D C -0.058 176.239 176.300 -0.004 0.000 1.313 832 D CA 0.611 54.610 54.000 -0.001 0.000 0.815 832 D CB -0.157 40.639 40.800 -0.007 0.000 1.077 832 D HN 0.533 nan 8.370 nan 0.000 0.492 833 A N -0.726 122.084 122.820 -0.018 0.000 2.540 833 A HA 0.613 4.941 4.320 0.014 0.000 0.291 833 A C -1.817 175.733 177.584 -0.056 0.000 1.083 833 A CA -0.730 51.285 52.037 -0.037 0.000 0.650 833 A CB 1.323 20.295 19.000 -0.047 0.000 1.292 833 A HN 0.027 nan 8.150 nan 0.000 0.435 834 V N 0.679 120.543 119.914 -0.084 0.000 2.448 834 V HA 0.622 4.750 4.120 0.014 0.000 0.295 834 V C -0.935 175.073 176.094 -0.144 0.000 1.025 834 V CA -0.397 61.833 62.300 -0.116 0.000 0.859 834 V CB 1.277 33.035 31.823 -0.108 0.000 0.988 834 V HN 0.830 nan 8.190 nan 0.000 0.431 835 L N 6.585 127.711 121.223 -0.161 0.000 2.325 835 L HA 0.640 4.988 4.340 0.014 0.000 0.281 835 L C -0.751 175.983 176.870 -0.227 0.000 1.004 835 L CA -0.013 54.736 54.840 -0.150 0.000 0.823 835 L CB 1.219 43.214 42.059 -0.107 0.000 1.236 835 L HN 0.413 nan 8.230 nan 0.000 0.415 836 I N 4.108 124.532 120.570 -0.243 0.000 2.377 836 I HA 0.416 4.595 4.170 0.014 0.000 0.293 836 I C 0.039 176.107 176.117 -0.082 0.000 0.987 836 I CA -0.241 60.857 61.300 -0.336 0.000 1.185 836 I CB 1.520 39.042 38.000 -0.797 0.000 1.341 836 I HN 0.554 nan 8.210 nan 0.000 0.455 837 T N 4.811 119.326 114.554 -0.065 0.000 2.829 837 T HA 0.662 5.020 4.350 0.014 0.000 0.280 837 T C 0.172 174.907 174.700 0.058 0.000 0.999 837 T CA -0.527 61.587 62.100 0.025 0.000 0.983 837 T CB 1.856 70.716 68.868 -0.012 0.000 0.968 837 T HN 0.786 nan 8.240 nan 0.000 0.446 838 T N -0.768 113.858 114.554 0.120 0.000 2.896 838 T HA 0.859 5.218 4.350 0.014 0.000 0.297 838 T C -1.290 173.451 174.700 0.068 0.000 1.108 838 T CA -1.055 61.092 62.100 0.078 0.000 1.004 838 T CB 1.982 70.955 68.868 0.176 0.000 1.159 838 T HN 0.807 nan 8.240 nan 0.000 0.499 839 A N 1.540 124.317 122.820 -0.072 0.000 2.459 839 A HA 0.764 5.093 4.320 0.014 0.000 0.296 839 A C -1.408 176.052 177.584 -0.207 0.000 1.039 839 A CA -0.756 51.278 52.037 -0.005 0.000 0.698 839 A CB 0.864 19.871 19.000 0.010 0.000 1.261 839 A HN 1.010 nan 8.150 nan 0.000 0.405 840 H N 0.109 119.238 119.070 0.099 0.000 2.821 840 H HA 0.792 5.356 4.556 0.014 0.000 0.373 840 H C -0.090 175.277 175.328 0.066 0.000 1.165 840 H CA 0.208 56.236 56.048 -0.033 0.000 1.154 840 H CB 2.191 31.853 29.762 -0.167 0.000 1.765 840 H HN 0.990 nan 8.280 nan 0.000 0.549 841 A N 1.826 124.683 122.820 0.061 0.000 2.330 841 A HA 0.366 4.694 4.320 0.014 0.000 0.313 841 A C -1.351 176.259 177.584 0.043 0.000 1.124 841 A CA -0.683 51.446 52.037 0.153 0.000 0.774 841 A CB 0.980 20.033 19.000 0.088 0.000 1.198 841 A HN 0.577 nan 8.150 nan 0.000 0.465 842 W N 2.264 123.662 121.300 0.163 0.000 2.361 842 W HA 0.433 5.101 4.660 0.014 0.000 0.309 842 W C -0.267 176.270 176.519 0.030 0.000 1.122 842 W CA -0.101 57.334 57.345 0.149 0.000 1.208 842 W CB 1.595 31.187 29.460 0.219 0.000 1.246 842 W HN 0.783 nan 8.180 nan 0.000 0.490 843 Q N 1.404 121.331 119.800 0.212 0.000 2.484 843 Q HA 0.441 4.790 4.340 0.014 0.000 0.285 843 Q C -0.983 175.148 176.000 0.219 0.000 1.097 843 Q CA -0.949 54.942 55.803 0.146 0.000 0.802 843 Q CB 3.473 32.257 28.738 0.077 0.000 1.444 843 Q HN 0.393 nan 8.270 nan 0.000 0.429 844 H N 1.257 120.361 119.070 0.057 0.000 3.018 844 H HA 0.095 4.659 4.556 0.014 0.000 0.334 844 H C -0.956 174.403 175.328 0.052 0.000 0.983 844 H CA -0.258 55.833 56.048 0.072 0.000 1.363 844 H CB 1.139 30.953 29.762 0.088 0.000 1.668 844 H HN 0.680 nan 8.280 nan 0.000 0.513 845 Q N 2.949 122.464 119.800 -0.475 0.000 2.468 845 Q HA -0.175 4.173 4.340 0.014 0.000 0.289 845 Q C 1.063 176.998 176.000 -0.108 0.000 1.299 845 Q CA 1.538 57.160 55.803 -0.302 0.000 0.838 845 Q CB -1.795 26.771 28.738 -0.287 0.000 1.195 845 Q HN 1.205 nan 8.270 nan 0.000 0.456 846 G N -1.247 107.518 108.800 -0.058 0.000 2.184 846 G HA2 -0.407 3.561 3.960 0.014 0.000 0.264 846 G HA3 -0.407 3.561 3.960 0.014 0.000 0.264 846 G C 0.102 175.004 174.900 0.004 0.000 0.975 846 G CA 0.693 45.782 45.100 -0.019 0.000 0.642 846 G HN 0.561 nan 8.290 nan 0.000 0.536 847 K N 1.195 121.606 120.400 0.019 0.000 2.185 847 K HA 0.632 4.961 4.320 0.014 0.000 0.269 847 K C 0.002 176.619 176.600 0.029 0.000 0.987 847 K CA -0.195 56.111 56.287 0.031 0.000 0.865 847 K CB 0.970 33.501 32.500 0.051 0.000 1.090 847 K HN -0.015 nan 8.250 nan 0.000 0.450 848 T N 5.970 120.533 114.554 0.014 0.000 2.729 848 T HA 0.211 4.569 4.350 0.014 0.000 0.296 848 T C 1.047 175.700 174.700 -0.079 0.000 0.928 848 T CA -0.432 61.673 62.100 0.008 0.000 1.045 848 T CB 0.433 69.322 68.868 0.036 0.000 0.902 848 T HN 0.568 nan 8.240 nan 0.000 0.500 849 L N 2.448 123.541 121.223 -0.217 0.000 2.145 849 L HA 0.338 4.686 4.340 0.014 0.000 0.201 849 L C -0.071 176.344 176.870 -0.758 0.000 1.075 849 L CA 0.908 55.349 54.840 -0.666 0.000 0.773 849 L CB 0.053 41.322 42.059 -1.316 0.000 0.936 849 L HN 0.536 nan 8.230 nan 0.000 0.451 850 F N -1.349 118.554 119.950 -0.079 0.000 2.613 850 F HA 0.572 5.107 4.527 0.013 0.000 0.310 850 F C -0.565 175.315 175.800 0.133 0.000 1.085 850 F CA -0.838 57.059 58.000 -0.171 0.000 0.945 850 F CB 1.935 40.443 39.000 -0.820 0.000 1.298 850 F HN -0.337 nan 8.300 nan 0.000 0.455 851 I N 1.416 122.197 120.570 0.352 0.000 2.498 851 I HA 0.421 4.599 4.170 0.014 0.000 0.290 851 I C -0.850 175.520 176.117 0.422 0.000 1.032 851 I CA -0.557 60.981 61.300 0.398 0.000 1.073 851 I CB 2.286 40.436 38.000 0.250 0.000 1.251 851 I HN 0.571 nan 8.210 nan 0.000 0.426 852 S N 6.552 122.599 115.700 0.579 0.000 2.519 852 S HA 0.618 5.096 4.470 0.014 0.000 0.309 852 S C -0.782 174.066 174.600 0.412 0.000 1.100 852 S CA -0.687 57.826 58.200 0.521 0.000 1.059 852 S CB 0.859 64.498 63.200 0.730 0.000 1.008 852 S HN 0.576 nan 8.310 nan 0.000 0.478 853 R N 3.262 123.927 120.500 0.275 0.000 2.437 853 R HA 0.587 4.936 4.340 0.014 0.000 0.310 853 R C -0.779 175.603 176.300 0.136 0.000 0.955 853 R CA -0.765 55.452 56.100 0.195 0.000 0.851 853 R CB 1.872 32.257 30.300 0.141 0.000 1.161 853 R HN 0.566 nan 8.270 nan 0.000 0.446 854 K N 0.750 121.225 120.400 0.124 0.000 2.480 854 K HA 0.509 4.837 4.320 0.014 0.000 0.258 854 K C -0.906 175.690 176.600 -0.006 0.000 0.990 854 K CA -0.963 55.325 56.287 0.001 0.000 0.857 854 K CB 2.600 35.065 32.500 -0.059 0.000 1.384 854 K HN 0.640 nan 8.250 nan 0.000 0.446 855 T N -1.407 113.068 114.554 -0.132 0.000 2.916 855 T HA 0.546 4.904 4.350 0.014 0.000 0.298 855 T C -1.357 173.228 174.700 -0.192 0.000 1.031 855 T CA -0.780 61.286 62.100 -0.056 0.000 0.993 855 T CB 0.492 69.346 68.868 -0.023 0.000 1.045 855 T HN 0.388 nan 8.240 nan 0.000 0.454 856 Y N 0.924 121.194 120.300 -0.049 0.000 2.331 856 Y HA 0.624 5.182 4.550 0.014 0.000 0.334 856 Y C 0.459 176.297 175.900 -0.103 0.000 0.960 856 Y CA -1.174 56.911 58.100 -0.026 0.000 1.130 856 Y CB 1.853 40.320 38.460 0.011 0.000 1.164 856 Y HN 0.659 nan 8.280 nan 0.000 0.458 857 R N 4.317 124.847 120.500 0.051 0.000 2.275 857 R HA 0.615 4.963 4.340 0.014 0.000 0.326 857 R C -1.570 174.684 176.300 -0.076 0.000 0.973 857 R CA -0.456 55.629 56.100 -0.026 0.000 0.854 857 R CB 0.427 30.718 30.300 -0.016 0.000 1.156 857 R HN 0.778 nan 8.270 nan 0.000 0.487 858 I N 5.049 125.515 120.570 -0.173 0.000 2.321 858 I HA 0.173 4.351 4.170 0.014 0.000 0.291 858 I C -0.202 175.809 176.117 -0.177 0.000 0.998 858 I CA -0.478 60.639 61.300 -0.306 0.000 1.227 858 I CB 1.399 39.010 38.000 -0.648 0.000 1.368 858 I HN 0.675 nan 8.210 nan 0.000 0.466 859 D N 4.084 124.426 120.400 -0.097 0.000 2.569 859 D HA 0.288 4.936 4.640 0.014 0.000 0.266 859 D C 1.225 177.540 176.300 0.024 0.000 1.164 859 D CA -0.772 53.213 54.000 -0.025 0.000 1.071 859 D CB 0.720 41.521 40.800 0.001 0.000 1.183 859 D HN 0.442 nan 8.370 nan 0.000 0.613 860 G N -1.196 107.635 108.800 0.051 0.000 2.625 860 G HA2 -0.130 3.838 3.960 0.014 0.000 0.214 860 G HA3 -0.130 3.838 3.960 0.014 0.000 0.214 860 G C 1.057 176.060 174.900 0.172 0.000 1.132 860 G CA 0.306 45.471 45.100 0.108 0.000 0.782 860 G HN 0.370 nan 8.290 nan 0.000 0.538 861 S N -0.646 115.137 115.700 0.138 0.000 2.528 861 S HA 0.318 4.796 4.470 0.014 0.000 0.219 861 S C 1.955 176.659 174.600 0.174 0.000 0.985 861 S CA 0.847 59.154 58.200 0.178 0.000 0.914 861 S CB 0.111 63.391 63.200 0.133 0.000 0.776 861 S HN 1.046 nan 8.310 nan 0.000 0.526 862 G N 1.344 110.251 108.800 0.178 0.000 2.176 862 G HA2 -0.212 3.756 3.960 0.014 0.000 0.253 862 G HA3 -0.212 3.756 3.960 0.014 0.000 0.253 862 G C -0.163 174.896 174.900 0.264 0.000 0.979 862 G CA -0.235 45.035 45.100 0.282 0.000 0.641 862 G HN 0.526 nan 8.290 nan 0.000 0.530 863 Q N -0.228 119.665 119.800 0.154 0.000 2.230 863 Q HA 0.628 4.976 4.340 0.014 0.000 0.248 863 Q C 0.100 176.144 176.000 0.074 0.000 0.915 863 Q CA -0.374 55.521 55.803 0.153 0.000 0.900 863 Q CB 1.700 30.516 28.738 0.130 0.000 1.229 863 Q HN 0.432 nan 8.270 nan 0.000 0.439 864 M N 1.982 121.660 119.600 0.130 0.000 2.044 864 M HA 0.458 4.946 4.480 0.014 0.000 0.333 864 M C -1.336 175.063 176.300 0.166 0.000 1.004 864 M CA -0.453 54.890 55.300 0.072 0.000 0.954 864 M CB 0.869 33.520 32.600 0.085 0.000 1.468 864 M HN 0.737 nan 8.290 nan 0.000 0.414 865 A N 6.781 129.664 122.820 0.105 0.000 2.276 865 A HA 0.661 4.989 4.320 0.014 0.000 0.300 865 A C -0.688 176.936 177.584 0.067 0.000 1.235 865 A CA -0.563 51.537 52.037 0.105 0.000 0.867 865 A CB 0.111 19.152 19.000 0.068 0.000 1.137 865 A HN 0.924 nan 8.150 nan 0.000 0.527 866 I N 2.326 122.925 120.570 0.047 0.000 2.378 866 I HA 0.336 4.514 4.170 0.014 0.000 0.291 866 I C -0.103 175.914 176.117 -0.167 0.000 0.992 866 I CA -0.209 61.012 61.300 -0.132 0.000 1.154 866 I CB 2.134 40.066 38.000 -0.113 0.000 1.315 866 I HN 0.503 nan 8.210 nan 0.000 0.448 867 T N 5.650 120.070 114.554 -0.222 0.000 2.797 867 T HA 0.569 4.927 4.350 0.014 0.000 0.279 867 T C -0.345 174.177 174.700 -0.296 0.000 0.991 867 T CA -0.492 61.487 62.100 -0.202 0.000 0.979 867 T CB 1.915 70.757 68.868 -0.043 0.000 0.943 867 T HN 0.214 nan 8.240 nan 0.000 0.444 868 V N 3.450 123.070 119.914 -0.491 0.000 2.588 868 V HA 0.472 4.601 4.120 0.014 0.000 0.304 868 V C -0.807 175.150 176.094 -0.230 0.000 1.042 868 V CA -0.910 61.121 62.300 -0.448 0.000 0.877 868 V CB 2.066 33.325 31.823 -0.940 0.000 0.996 868 V HN 0.855 nan 8.190 nan 0.000 0.425 869 D N 3.463 123.883 120.400 0.034 0.000 2.471 869 D HA 0.513 5.161 4.640 0.014 0.000 0.245 869 D C -0.984 175.440 176.300 0.207 0.000 1.116 869 D CA -0.074 54.036 54.000 0.182 0.000 0.853 869 D CB 2.651 43.572 40.800 0.201 0.000 1.123 869 D HN 0.244 nan 8.370 nan 0.000 0.540 870 V N 2.306 122.376 119.914 0.261 0.000 2.628 870 V HA 0.294 4.422 4.120 0.014 0.000 0.306 870 V C 0.045 176.284 176.094 0.242 0.000 1.045 870 V CA -0.679 61.787 62.300 0.278 0.000 0.905 870 V CB 2.568 34.594 31.823 0.338 0.000 0.997 870 V HN 0.352 nan 8.190 nan 0.000 0.436 871 E N 2.425 122.754 120.200 0.215 0.000 2.171 871 E HA 0.612 4.970 4.350 0.014 0.000 0.271 871 E C -1.539 175.180 176.600 0.200 0.000 0.916 871 E CA -0.536 55.971 56.400 0.178 0.000 0.774 871 E CB 2.485 32.275 29.700 0.149 0.000 1.128 871 E HN 0.403 nan 8.360 nan 0.000 0.403 872 V N 2.124 122.163 119.914 0.208 0.000 2.487 872 V HA 0.370 4.498 4.120 0.014 0.000 0.298 872 V C 0.126 176.325 176.094 0.176 0.000 1.028 872 V CA -0.974 61.481 62.300 0.259 0.000 0.860 872 V CB 1.517 33.529 31.823 0.316 0.000 0.991 872 V HN 0.840 nan 8.190 nan 0.000 0.427 873 A N 3.465 126.345 122.820 0.100 0.000 2.567 873 A HA 0.234 4.562 4.320 0.014 0.000 0.240 873 A C 1.635 179.296 177.584 0.127 0.000 1.053 873 A CA 0.658 52.740 52.037 0.074 0.000 0.755 873 A CB 0.174 19.179 19.000 0.009 0.000 0.978 873 A HN 1.381 nan 8.150 nan 0.000 0.507 874 S N 1.251 117.020 115.700 0.116 0.000 2.419 874 S HA -0.169 4.309 4.470 0.014 0.000 0.233 874 S C 0.965 175.649 174.600 0.141 0.000 1.016 874 S CA 1.344 59.631 58.200 0.144 0.000 0.974 874 S CB -0.314 62.950 63.200 0.107 0.000 0.786 874 S HN 0.842 nan 8.310 nan 0.000 0.492 875 D N 0.410 120.866 120.400 0.094 0.000 2.339 875 D HA 0.124 4.773 4.640 0.014 0.000 0.217 875 D C 0.599 176.940 176.300 0.068 0.000 1.050 875 D CA 0.123 54.163 54.000 0.067 0.000 0.856 875 D CB -0.513 40.312 40.800 0.042 0.000 0.922 875 D HN 0.326 nan 8.370 nan 0.000 0.518 876 T N 1.183 115.802 114.554 0.108 0.000 2.922 876 T HA 0.386 4.744 4.350 0.014 0.000 0.285 876 T C -2.595 172.230 174.700 0.207 0.000 1.005 876 T CA -1.984 60.206 62.100 0.150 0.000 1.061 876 T CB 1.023 69.988 68.868 0.161 0.000 1.007 876 T HN -0.176 nan 8.240 nan 0.000 0.502 877 P HA 0.054 nan 4.420 nan 0.000 0.264 877 P C -0.565 177.070 177.300 0.559 0.000 1.183 877 P CA 0.239 63.473 63.100 0.223 0.000 0.763 877 P CB -0.115 31.727 31.700 0.237 0.000 0.807 878 H N 4.082 123.549 119.070 0.662 0.000 3.034 878 H HA 0.052 4.616 4.556 0.013 0.000 0.324 878 H C -1.558 174.118 175.328 0.579 0.000 1.015 878 H CA -1.225 55.135 56.048 0.521 0.000 1.429 878 H CB -0.348 29.655 29.762 0.401 0.000 1.429 878 H HN 0.395 nan 8.280 nan 0.000 0.585 879 P HA 0.019 nan 4.420 nan 0.000 0.276 879 P C 0.134 177.312 177.300 -0.203 0.000 1.244 879 P CA -0.311 62.848 63.100 0.099 0.000 0.801 879 P CB 1.131 32.735 31.700 -0.160 0.000 1.006 880 A N 3.102 125.514 122.820 -0.681 0.000 1.972 880 A HA -0.116 4.212 4.320 0.014 0.000 0.219 880 A C 1.070 178.260 177.584 -0.657 0.000 1.169 880 A CA 1.410 53.024 52.037 -0.704 0.000 0.635 880 A CB -0.568 17.815 19.000 -1.029 0.000 0.810 880 A HN 0.761 nan 8.150 nan 0.000 0.446 881 R N -3.048 117.098 120.500 -0.590 0.000 2.728 881 R HA 0.739 5.087 4.340 0.014 0.000 0.274 881 R C -1.604 174.426 176.300 -0.451 0.000 1.030 881 R CA -0.825 54.946 56.100 -0.547 0.000 0.876 881 R CB 0.843 30.778 30.300 -0.608 0.000 1.259 881 R HN -0.010 nan 8.270 nan 0.000 0.468 882 I N 1.092 121.429 120.570 -0.388 0.000 2.542 882 I HA 0.621 4.799 4.170 0.014 0.000 0.278 882 I C -0.522 175.345 176.117 -0.417 0.000 1.069 882 I CA -0.354 60.734 61.300 -0.353 0.000 1.100 882 I CB 1.744 39.605 38.000 -0.230 0.000 1.204 882 I HN 0.971 nan 8.210 nan 0.000 0.470 883 G N 5.815 114.302 108.800 -0.522 0.000 2.650 883 G HA2 0.726 4.694 3.960 0.014 0.000 0.310 883 G HA3 0.726 4.694 3.960 0.014 0.000 0.310 883 G C -1.660 173.057 174.900 -0.304 0.000 1.270 883 G CA -0.579 44.264 45.100 -0.429 0.000 0.810 883 G HN 0.254 nan 8.290 nan 0.000 0.493 884 L N 0.741 121.844 121.223 -0.201 0.000 2.301 884 L HA 0.671 5.020 4.340 0.014 0.000 0.264 884 L C -0.621 176.148 176.870 -0.169 0.000 1.016 884 L CA -1.149 53.605 54.840 -0.142 0.000 0.821 884 L CB 2.369 44.428 42.059 -0.001 0.000 1.346 884 L HN 0.765 nan 8.230 nan 0.000 0.429 885 N N 0.562 119.193 118.700 -0.115 0.000 2.396 885 N HA 0.686 5.434 4.740 0.014 0.000 0.275 885 N C -1.333 174.184 175.510 0.013 0.000 1.218 885 N CA -0.490 52.529 53.050 -0.052 0.000 0.812 885 N CB 2.424 40.902 38.487 -0.014 0.000 1.592 885 N HN 0.870 nan 8.380 nan 0.000 0.480 886 C N -0.691 118.622 119.300 0.022 0.000 3.312 886 C HA 0.596 5.064 4.460 0.014 0.000 0.332 886 C C -1.182 173.590 174.990 -0.363 0.000 1.340 886 C CA -0.849 58.118 59.018 -0.084 0.000 1.265 886 C CB 1.004 28.734 27.740 -0.016 0.000 1.563 886 C HN 0.850 nan 8.230 nan 0.000 0.471 887 Q N 1.347 120.730 119.800 -0.694 0.000 2.368 887 Q HA 0.668 5.016 4.340 0.014 0.000 0.263 887 Q C -1.133 174.578 176.000 -0.481 0.000 1.009 887 Q CA -0.448 54.717 55.803 -1.064 0.000 0.818 887 Q CB 0.909 28.639 28.738 -1.679 0.000 1.239 887 Q HN 0.774 nan 8.270 nan 0.000 0.464 888 L N 2.721 123.763 121.223 -0.300 0.000 2.417 888 L HA 0.304 4.652 4.340 0.014 0.000 0.268 888 L C 1.242 178.066 176.870 -0.078 0.000 1.158 888 L CA -0.226 54.571 54.840 -0.073 0.000 0.819 888 L CB 0.887 43.014 42.059 0.114 0.000 1.112 888 L HN 0.840 nan 8.230 nan 0.000 0.458 889 A N 2.126 124.927 122.820 -0.031 0.000 1.930 889 A HA -0.143 4.185 4.320 0.014 0.000 0.217 889 A C 1.168 178.752 177.584 0.000 0.000 1.175 889 A CA 0.765 52.775 52.037 -0.044 0.000 0.627 889 A CB -0.312 18.654 19.000 -0.056 0.000 0.815 889 A HN 0.798 nan 8.150 nan 0.000 0.443 890 Q N -0.174 119.666 119.800 0.067 0.000 2.373 890 Q HA 0.407 4.755 4.340 0.014 0.000 0.255 890 Q C -1.148 174.908 176.000 0.095 0.000 0.980 890 Q CA 0.319 56.155 55.803 0.056 0.000 0.882 890 Q CB 0.836 29.634 28.738 0.100 0.000 1.249 890 Q HN 0.147 nan 8.270 nan 0.000 0.438 891 V N 3.425 123.347 119.914 0.013 0.000 2.447 891 V HA 0.763 4.891 4.120 0.014 0.000 0.292 891 V C -0.660 175.393 176.094 -0.068 0.000 1.021 891 V CA -0.314 62.017 62.300 0.052 0.000 0.850 891 V CB 0.954 32.798 31.823 0.034 0.000 1.005 891 V HN 0.902 nan 8.190 nan 0.000 0.426 892 A N 3.400 126.114 122.820 -0.177 0.000 2.322 892 A HA 0.795 5.124 4.320 0.014 0.000 0.327 892 A C 0.762 178.327 177.584 -0.031 0.000 1.134 892 A CA -0.508 51.361 52.037 -0.280 0.000 0.831 892 A CB 1.184 19.765 19.000 -0.698 0.000 1.288 892 A HN 0.716 nan 8.150 nan 0.000 0.472 893 E N 0.403 120.591 120.200 -0.019 0.000 2.170 893 E HA -0.013 4.345 4.350 0.014 0.000 0.191 893 E C 0.031 176.696 176.600 0.110 0.000 0.981 893 E CA 0.649 57.078 56.400 0.049 0.000 0.830 893 E CB 0.093 29.805 29.700 0.021 0.000 0.775 893 E HN 0.484 nan 8.360 nan 0.000 0.470 894 R N 0.598 121.169 120.500 0.118 0.000 2.873 894 R HA 0.600 4.949 4.340 0.014 0.000 0.264 894 R C -0.443 176.037 176.300 0.300 0.000 1.026 894 R CA -0.914 55.292 56.100 0.177 0.000 1.002 894 R CB 1.837 32.213 30.300 0.127 0.000 1.174 894 R HN -0.184 nan 8.270 nan 0.000 0.488 895 V N 1.967 122.073 119.914 0.320 0.000 2.525 895 V HA 0.325 4.453 4.120 0.014 0.000 0.299 895 V C -0.428 175.933 176.094 0.445 0.000 1.034 895 V CA -0.933 61.595 62.300 0.380 0.000 0.863 895 V CB 1.827 33.822 31.823 0.287 0.000 0.999 895 V HN 0.683 nan 8.190 nan 0.000 0.423 896 N N 4.713 123.648 118.700 0.392 0.000 2.314 896 N HA 0.545 5.293 4.740 0.014 0.000 0.294 896 N C -1.311 174.447 175.510 0.413 0.000 1.029 896 N CA -0.441 52.810 53.050 0.334 0.000 0.845 896 N CB 2.649 41.231 38.487 0.159 0.000 1.321 896 N HN 0.800 nan 8.380 nan 0.000 0.481 897 W N 3.116 124.448 121.300 0.055 0.000 3.118 897 W HA 0.597 5.265 4.660 0.013 0.000 0.328 897 W C -2.008 174.467 176.519 -0.074 0.000 1.239 897 W CA -1.159 56.193 57.345 0.011 0.000 1.176 897 W CB 0.770 30.273 29.460 0.072 0.000 1.433 897 W HN 0.238 nan 8.180 nan 0.000 0.562 898 L N 4.028 125.219 121.223 -0.053 0.000 2.295 898 L HA 0.924 5.273 4.340 0.014 0.000 0.281 898 L C -0.025 176.650 176.870 -0.324 0.000 1.018 898 L CA 0.323 54.926 54.840 -0.395 0.000 0.841 898 L CB 0.736 42.641 42.059 -0.256 0.000 1.218 898 L HN 0.994 nan 8.230 nan 0.000 0.424 899 G N 3.844 112.318 108.800 -0.545 0.000 2.364 899 G HA2 0.217 4.185 3.960 0.014 0.000 0.286 899 G HA3 0.217 4.185 3.960 0.014 0.000 0.286 899 G C -1.655 173.264 174.900 0.032 0.000 1.241 899 G CA -1.008 44.029 45.100 -0.106 0.000 0.887 899 G HN 0.437 nan 8.290 nan 0.000 0.484 900 L N 1.139 122.545 121.223 0.304 0.000 2.349 900 L HA 0.633 4.981 4.340 0.014 0.000 0.275 900 L C 1.006 178.003 176.870 0.212 0.000 1.115 900 L CA 0.657 55.639 54.840 0.237 0.000 0.820 900 L CB 0.744 42.887 42.059 0.140 0.000 1.135 900 L HN 1.182 nan 8.230 nan 0.000 0.445 901 G N 2.989 111.685 108.800 -0.172 0.000 2.341 901 G HA2 0.221 4.189 3.960 0.014 0.000 0.299 901 G HA3 0.221 4.189 3.960 0.014 0.000 0.299 901 G C -2.778 171.296 174.900 -1.378 0.000 1.274 901 G CA -0.290 44.401 45.100 -0.683 0.000 0.853 901 G HN 0.308 nan 8.290 nan 0.000 0.493 902 P HA 0.094 nan 4.420 nan 0.000 0.235 902 P C 0.509 177.630 177.300 -0.298 0.000 1.177 902 P CA 0.598 63.076 63.100 -1.036 0.000 0.785 902 P CB 0.459 31.682 31.700 -0.795 0.000 0.885 903 Q N 0.448 120.060 119.800 -0.314 0.000 2.318 903 Q HA 0.155 4.503 4.340 0.014 0.000 0.222 903 Q C 0.369 176.263 176.000 -0.177 0.000 1.003 903 Q CA -0.615 55.077 55.803 -0.184 0.000 0.936 903 Q CB 0.625 29.274 28.738 -0.149 0.000 1.204 903 Q HN 0.111 nan 8.270 nan 0.000 0.524 904 E N 1.159 121.259 120.200 -0.167 0.000 2.502 904 E HA -0.094 4.265 4.350 0.014 0.000 0.261 904 E C -1.153 175.363 176.600 -0.140 0.000 0.974 904 E CA 0.217 56.503 56.400 -0.190 0.000 0.936 904 E CB 0.265 29.920 29.700 -0.076 0.000 0.926 904 E HN 0.564 nan 8.360 nan 0.000 0.459 905 N N 2.683 121.226 118.700 -0.262 0.000 2.308 905 N HA 0.353 5.101 4.740 0.014 0.000 0.283 905 N C -1.811 173.488 175.510 -0.352 0.000 1.105 905 N CA -0.685 52.266 53.050 -0.165 0.000 0.840 905 N CB 0.808 39.225 38.487 -0.117 0.000 1.633 905 N HN 0.246 nan 8.380 nan 0.000 0.476 906 Y N -0.220 119.996 120.300 -0.139 0.000 2.633 906 Y HA 0.495 5.053 4.550 0.014 0.000 0.339 906 Y C -1.676 174.164 175.900 -0.101 0.000 1.045 906 Y CA -2.048 55.956 58.100 -0.161 0.000 1.098 906 Y CB 2.007 40.366 38.460 -0.168 0.000 1.296 906 Y HN 0.439 nan 8.280 nan 0.000 0.494 907 P HA -0.171 nan 4.420 nan 0.000 0.216 907 P C 0.344 177.600 177.300 -0.074 0.000 1.153 907 P CA 2.105 65.282 63.100 0.130 0.000 0.858 907 P CB 0.196 32.084 31.700 0.313 0.000 0.789 908 D N -2.317 117.786 120.400 -0.494 0.000 2.340 908 D HA 0.004 4.652 4.640 0.014 0.000 0.217 908 D C 0.740 176.874 176.300 -0.276 0.000 1.081 908 D CA 0.115 53.557 54.000 -0.931 0.000 0.842 908 D CB -0.275 39.777 40.800 -1.246 0.000 0.934 908 D HN 0.125 nan 8.370 nan 0.000 0.511 909 R N 1.041 121.493 120.500 -0.081 0.000 2.684 909 R HA 0.207 4.555 4.340 0.014 0.000 0.252 909 R C -0.673 175.660 176.300 0.055 0.000 1.628 909 R CA -0.169 55.946 56.100 0.025 0.000 1.622 909 R CB 0.064 30.385 30.300 0.034 0.000 1.418 909 R HN 0.096 nan 8.270 nan 0.000 0.697 910 L N -1.731 119.532 121.223 0.067 0.000 3.386 910 L HA 0.330 4.679 4.340 0.014 0.000 0.307 910 L C 1.285 178.211 176.870 0.092 0.000 1.235 910 L CA 0.036 54.913 54.840 0.062 0.000 1.056 910 L CB 0.153 42.242 42.059 0.049 0.000 1.453 910 L HN 0.083 nan 8.230 nan 0.000 0.615 911 T N -2.737 111.897 114.554 0.134 0.000 2.915 911 T HA 0.050 4.409 4.350 0.014 0.000 0.269 911 T C 1.749 176.479 174.700 0.051 0.000 1.071 911 T CA 1.234 63.434 62.100 0.167 0.000 1.132 911 T CB -0.254 68.773 68.868 0.265 0.000 0.878 911 T HN 0.376 nan 8.240 nan 0.000 0.479 912 A N 1.481 124.334 122.820 0.054 0.000 2.067 912 A HA 0.674 5.002 4.320 0.014 0.000 0.217 912 A C 1.611 179.263 177.584 0.114 0.000 1.156 912 A CA 0.433 52.430 52.037 -0.067 0.000 0.683 912 A CB -0.853 18.267 19.000 0.200 0.000 0.808 912 A HN 0.808 nan 8.150 nan 0.000 0.455 913 A N -1.026 121.819 122.820 0.043 0.000 2.386 913 A HA 0.446 4.774 4.320 0.014 0.000 0.248 913 A C 0.058 177.662 177.584 0.034 0.000 1.082 913 A CA -0.061 51.965 52.037 -0.019 0.000 0.789 913 A CB -0.117 18.864 19.000 -0.031 0.000 1.025 913 A HN 0.467 nan 8.150 nan 0.000 0.490 914 C N 0.488 119.805 119.300 0.028 0.000 2.529 914 C HA 0.580 5.048 4.460 0.014 0.000 0.329 914 C C -0.117 174.989 174.990 0.195 0.000 1.194 914 C CA -0.460 58.633 59.018 0.126 0.000 1.779 914 C CB 0.772 28.605 27.740 0.156 0.000 2.322 914 C HN 0.779 nan 8.230 nan 0.000 0.500 915 F N 3.425 123.224 119.950 -0.251 0.000 2.420 915 F HA 0.526 5.062 4.527 0.014 0.000 0.352 915 F C 0.338 175.827 175.800 -0.518 0.000 1.108 915 F CA 1.008 58.739 58.000 -0.449 0.000 1.162 915 F CB 0.107 38.379 39.000 -1.213 0.000 1.118 915 F HN 0.643 nan 8.300 nan 0.000 0.510 916 D N 3.039 122.843 120.400 -0.994 0.000 3.024 916 D HA 0.139 4.787 4.640 0.014 0.000 0.354 916 D C -1.724 173.695 176.300 -1.468 0.000 1.431 916 D CA -0.720 52.586 54.000 -1.156 0.000 0.842 916 D CB 1.403 41.486 40.800 -1.196 0.000 1.437 916 D HN 0.477 nan 8.370 nan 0.000 0.507 917 R N 0.724 120.445 120.500 -1.298 0.000 2.207 917 R HA 0.510 4.859 4.340 0.014 0.000 0.334 917 R C -1.415 174.138 176.300 -1.245 0.000 1.013 917 R CA -0.172 55.313 56.100 -1.025 0.000 0.858 917 R CB 0.215 30.157 30.300 -0.597 0.000 1.094 917 R HN 0.270 nan 8.270 nan 0.000 0.457 918 W N 2.525 123.294 121.300 -0.885 0.000 2.647 918 W HA 0.452 5.120 4.660 0.014 0.000 0.353 918 W C -0.464 175.691 176.519 -0.606 0.000 1.080 918 W CA -0.613 56.164 57.345 -0.947 0.000 1.208 918 W CB 1.680 30.073 29.460 -1.779 0.000 1.396 918 W HN 0.385 nan 8.180 nan 0.000 0.573 919 D N 2.304 122.687 120.400 -0.028 0.000 2.452 919 D HA 0.345 4.994 4.640 0.014 0.000 0.226 919 D C -1.625 174.783 176.300 0.180 0.000 1.366 919 D CA -0.121 53.952 54.000 0.123 0.000 0.986 919 D CB 0.775 41.595 40.800 0.032 0.000 1.420 919 D HN 0.364 nan 8.370 nan 0.000 0.583 920 L N 2.886 124.286 121.223 0.295 0.000 2.327 920 L HA 0.599 4.947 4.340 0.014 0.000 0.258 920 L C -2.237 174.751 176.870 0.197 0.000 1.024 920 L CA -2.186 52.792 54.840 0.230 0.000 0.825 920 L CB 2.599 44.836 42.059 0.297 0.000 1.386 920 L HN 0.169 nan 8.230 nan 0.000 0.417 921 P HA 0.031 nan 4.420 nan 0.000 0.271 921 P C 0.540 177.918 177.300 0.130 0.000 1.218 921 P CA -0.374 62.798 63.100 0.120 0.000 0.780 921 P CB 0.874 32.624 31.700 0.084 0.000 0.901 922 L N 3.414 124.718 121.223 0.136 0.000 2.021 922 L HA -0.275 4.074 4.340 0.014 0.000 0.215 922 L C 2.323 179.245 176.870 0.087 0.000 1.074 922 L CA 2.878 57.792 54.840 0.123 0.000 0.760 922 L CB -1.652 40.495 42.059 0.146 0.000 0.889 922 L HN 0.490 nan 8.230 nan 0.000 0.433 923 S N -1.850 113.902 115.700 0.087 0.000 2.419 923 S HA -0.194 4.284 4.470 0.014 0.000 0.235 923 S C 1.651 176.324 174.600 0.121 0.000 1.019 923 S CA 1.231 59.497 58.200 0.110 0.000 0.982 923 S CB -0.802 62.456 63.200 0.096 0.000 0.789 923 S HN 0.541 nan 8.310 nan 0.000 0.490 924 D N 0.997 121.443 120.400 0.077 0.000 2.348 924 D HA 0.096 4.745 4.640 0.014 0.000 0.216 924 D C 1.239 177.543 176.300 0.006 0.000 0.970 924 D CA 0.609 54.632 54.000 0.039 0.000 0.889 924 D CB -0.127 40.705 40.800 0.053 0.000 0.912 924 D HN 0.386 nan 8.370 nan 0.000 0.524 925 M N -0.483 119.131 119.600 0.022 0.000 2.561 925 M HA 0.049 4.538 4.480 0.014 0.000 0.238 925 M C -0.010 176.291 176.300 0.001 0.000 1.131 925 M CA -0.032 55.236 55.300 -0.053 0.000 1.046 925 M CB -0.779 31.778 32.600 -0.071 0.000 1.532 925 M HN -0.048 nan 8.290 nan 0.000 0.497 926 Y N 0.168 120.431 120.300 -0.062 0.000 2.364 926 Y HA 0.487 5.045 4.550 0.014 0.000 0.340 926 Y C -0.678 175.174 175.900 -0.080 0.000 0.975 926 Y CA -0.900 57.182 58.100 -0.029 0.000 1.089 926 Y CB 1.223 39.730 38.460 0.079 0.000 1.192 926 Y HN -0.130 nan 8.280 nan 0.000 0.454 927 T N 9.058 123.154 114.554 -0.762 0.000 2.756 927 T HA 0.278 4.636 4.350 0.014 0.000 0.290 927 T C -2.650 171.293 174.700 -1.262 0.000 0.985 927 T CA -1.514 60.062 62.100 -0.874 0.000 0.955 927 T CB 1.089 69.506 68.868 -0.751 0.000 0.930 927 T HN 0.470 nan 8.240 nan 0.000 0.451 928 P HA 0.111 nan 4.420 nan 0.000 0.225 928 P C -0.654 176.517 177.300 -0.216 0.000 1.768 928 P CA -0.414 62.287 63.100 -0.664 0.000 0.943 928 P CB -0.758 30.686 31.700 -0.427 0.000 1.936 929 Y N -0.240 120.011 120.300 -0.082 0.000 2.712 929 Y HA -0.098 4.460 4.550 0.014 0.000 0.333 929 Y C 2.275 178.236 175.900 0.101 0.000 1.225 929 Y CA -0.480 57.626 58.100 0.010 0.000 1.499 929 Y CB 0.544 38.947 38.460 -0.095 0.000 1.288 929 Y HN -0.081 nan 8.280 nan 0.000 0.575 930 V N 3.610 123.746 119.914 0.370 0.000 2.332 930 V HA -0.309 3.819 4.120 0.014 0.000 0.248 930 V C 0.528 176.810 176.094 0.314 0.000 1.055 930 V CA 1.450 63.955 62.300 0.341 0.000 1.038 930 V CB -0.540 31.519 31.823 0.394 0.000 0.651 930 V HN 0.585 nan 8.190 nan 0.000 0.450 931 F N 3.097 123.118 119.950 0.118 0.000 2.350 931 F HA 0.514 5.049 4.527 0.014 0.000 0.365 931 F C -2.458 173.370 175.800 0.046 0.000 1.122 931 F CA -3.468 54.553 58.000 0.036 0.000 1.139 931 F CB 0.710 39.641 39.000 -0.115 0.000 1.220 931 F HN -0.001 nan 8.300 nan 0.000 0.499 932 P HA 0.228 nan 4.420 nan 0.000 0.269 932 P C -1.014 176.012 177.300 -0.457 0.000 1.209 932 P CA 0.107 62.984 63.100 -0.371 0.000 0.776 932 P CB 1.164 32.661 31.700 -0.337 0.000 0.876 933 S N -0.002 115.617 115.700 -0.136 0.000 2.672 933 S HA 0.457 4.935 4.470 0.014 0.000 0.271 933 S C -0.790 173.817 174.600 0.011 0.000 1.171 933 S CA -0.960 57.201 58.200 -0.066 0.000 0.817 933 S CB 0.490 63.685 63.200 -0.009 0.000 1.150 933 S HN 0.340 nan 8.310 nan 0.000 0.478 934 E N 1.115 121.333 120.200 0.029 0.000 2.568 934 E HA 0.329 4.688 4.350 0.014 0.000 0.262 934 E C -0.186 176.480 176.600 0.111 0.000 0.961 934 E CA 0.908 57.351 56.400 0.072 0.000 0.945 934 E CB -0.201 29.566 29.700 0.112 0.000 0.924 934 E HN 0.812 nan 8.360 nan 0.000 0.467 935 N N 1.380 120.177 118.700 0.162 0.000 3.046 935 N HA 0.479 5.228 4.740 0.014 0.000 0.243 935 N C 0.164 175.732 175.510 0.097 0.000 1.452 935 N CA -0.503 52.677 53.050 0.217 0.000 0.882 935 N CB 0.952 39.554 38.487 0.192 0.000 1.425 935 N HN 0.751 nan 8.380 nan 0.000 0.517 936 G N -1.266 107.547 108.800 0.022 0.000 2.184 936 G HA2 -0.262 3.706 3.960 0.014 0.000 0.264 936 G HA3 -0.262 3.706 3.960 0.014 0.000 0.264 936 G C -0.210 174.437 174.900 -0.422 0.000 0.975 936 G CA 0.379 45.372 45.100 -0.179 0.000 0.642 936 G HN 0.719 nan 8.290 nan 0.000 0.536 937 L N 0.217 121.130 121.223 -0.517 0.000 2.506 937 L HA 0.633 4.981 4.340 0.014 0.000 0.281 937 L C 0.709 177.002 176.870 -0.961 0.000 1.228 937 L CA 0.492 54.782 54.840 -0.916 0.000 0.850 937 L CB 0.509 41.671 42.059 -1.494 0.000 1.110 937 L HN 0.269 nan 8.230 nan 0.000 0.496 938 R N 2.570 122.408 120.500 -1.103 0.000 2.513 938 R HA 0.493 4.841 4.340 0.014 0.000 0.301 938 R C -0.859 175.093 176.300 -0.580 0.000 0.968 938 R CA -0.290 55.298 56.100 -0.854 0.000 0.872 938 R CB 1.347 31.018 30.300 -1.047 0.000 1.177 938 R HN 0.709 nan 8.270 nan 0.000 0.444 939 C N 0.362 119.476 119.300 -0.310 0.000 2.484 939 C HA 0.692 5.160 4.460 0.014 0.000 0.409 939 C C 1.301 176.284 174.990 -0.012 0.000 1.434 939 C CA 0.010 58.927 59.018 -0.169 0.000 1.913 939 C CB 1.187 28.854 27.740 -0.122 0.000 2.028 939 C HN 1.025 nan 8.230 nan 0.000 0.516 940 G N 1.678 110.482 108.800 0.006 0.000 2.356 940 G HA2 -0.183 3.785 3.960 0.014 0.000 0.296 940 G HA3 -0.183 3.785 3.960 0.014 0.000 0.296 940 G C -0.072 174.907 174.900 0.132 0.000 1.022 940 G CA 0.619 45.773 45.100 0.090 0.000 0.961 940 G HN 0.794 nan 8.290 nan 0.000 0.510 941 T N -0.156 114.351 114.554 -0.079 0.000 2.799 941 T HA 0.552 4.911 4.350 0.014 0.000 0.286 941 T C 1.242 175.638 174.700 -0.506 0.000 0.973 941 T CA -0.665 61.319 62.100 -0.194 0.000 1.035 941 T CB 1.580 70.375 68.868 -0.121 0.000 0.932 941 T HN 0.182 nan 8.240 nan 0.000 0.469 942 R N 1.338 121.741 120.500 -0.162 0.000 2.279 942 R HA 0.308 4.656 4.340 0.014 0.000 0.195 942 R C 0.459 176.766 176.300 0.010 0.000 0.905 942 R CA 0.208 56.276 56.100 -0.054 0.000 1.044 942 R CB 0.344 30.752 30.300 0.180 0.000 1.056 942 R HN 0.715 nan 8.270 nan 0.000 0.535 943 E N 0.404 120.619 120.200 0.026 0.000 2.347 943 E HA 0.280 4.638 4.350 0.014 0.000 0.285 943 E C -1.861 174.868 176.600 0.215 0.000 0.925 943 E CA -0.588 55.920 56.400 0.179 0.000 0.779 943 E CB 1.404 31.177 29.700 0.123 0.000 1.233 943 E HN -0.090 nan 8.360 nan 0.000 0.414 944 L N 4.183 125.602 121.223 0.326 0.000 2.385 944 L HA 0.597 4.945 4.340 0.014 0.000 0.273 944 L C -1.721 175.341 176.870 0.320 0.000 0.990 944 L CA -0.397 54.577 54.840 0.222 0.000 0.821 944 L CB 1.705 43.758 42.059 -0.011 0.000 1.279 944 L HN 0.458 nan 8.230 nan 0.000 0.412 945 N N 4.519 123.380 118.700 0.269 0.000 2.314 945 N HA 0.407 5.155 4.740 0.014 0.000 0.294 945 N C -1.964 173.770 175.510 0.373 0.000 1.029 945 N CA -0.269 52.937 53.050 0.261 0.000 0.845 945 N CB 2.213 40.797 38.487 0.160 0.000 1.321 945 N HN 0.617 nan 8.380 nan 0.000 0.481 946 Y N 1.111 121.545 120.300 0.224 0.000 2.323 946 Y HA 0.390 4.948 4.550 0.014 0.000 0.322 946 Y C 0.578 176.577 175.900 0.165 0.000 1.133 946 Y CA 0.171 58.404 58.100 0.221 0.000 1.093 946 Y CB 0.582 39.229 38.460 0.311 0.000 1.203 946 Y HN 0.851 nan 8.280 nan 0.000 0.427 947 G N 6.376 114.997 108.800 -0.298 0.000 2.583 947 G HA2 -0.310 3.658 3.960 0.014 0.000 0.292 947 G HA3 -0.310 3.658 3.960 0.014 0.000 0.292 947 G C -1.716 173.060 174.900 -0.207 0.000 1.203 947 G CA 0.164 45.072 45.100 -0.321 0.000 0.987 947 G HN 0.602 nan 8.290 nan 0.000 0.554 948 P HA 0.156 nan 4.420 nan 0.000 0.240 948 P C 0.332 177.458 177.300 -0.289 0.000 1.190 948 P CA 0.755 63.671 63.100 -0.307 0.000 0.781 948 P CB 0.018 31.466 31.700 -0.420 0.000 0.931 949 H N 0.456 119.464 119.070 -0.103 0.000 2.511 949 H HA 0.421 4.985 4.556 0.014 0.000 0.346 949 H C 0.007 175.057 175.328 -0.463 0.000 1.128 949 H CA 0.135 55.990 56.048 -0.321 0.000 1.342 949 H CB 1.284 30.694 29.762 -0.587 0.000 1.470 949 H HN 0.091 nan 8.280 nan 0.000 0.546 950 Q N 2.527 122.051 119.800 -0.460 0.000 2.285 950 Q HA 0.230 4.578 4.340 0.014 0.000 0.269 950 Q C -1.516 174.202 176.000 -0.470 0.000 1.030 950 Q CA -0.669 54.962 55.803 -0.287 0.000 0.788 950 Q CB 1.850 30.560 28.738 -0.048 0.000 1.266 950 Q HN 0.575 nan 8.270 nan 0.000 0.438 951 W N 3.904 125.150 121.300 -0.091 0.000 2.632 951 W HA 0.584 5.252 4.660 0.014 0.000 0.328 951 W C -0.174 176.425 176.519 0.134 0.000 1.044 951 W CA -0.772 56.493 57.345 -0.134 0.000 1.225 951 W CB 1.907 31.079 29.460 -0.479 0.000 1.396 951 W HN 0.503 nan 8.180 nan 0.000 0.499 952 R N 0.775 121.514 120.500 0.398 0.000 2.744 952 R HA 0.779 5.127 4.340 0.014 0.000 0.279 952 R C 0.152 176.735 176.300 0.471 0.000 0.977 952 R CA -0.523 55.830 56.100 0.422 0.000 0.906 952 R CB 2.403 32.854 30.300 0.252 0.000 1.197 952 R HN 0.746 nan 8.270 nan 0.000 0.463 953 G N 0.627 109.702 108.800 0.458 0.000 2.566 953 G HA2 0.043 4.011 3.960 0.014 0.000 0.138 953 G HA3 0.043 4.011 3.960 0.014 0.000 0.138 953 G C -1.731 173.287 174.900 0.195 0.000 1.133 953 G CA -0.276 45.055 45.100 0.384 0.000 1.037 953 G HN 0.485 nan 8.290 nan 0.000 0.491 954 D N -0.001 120.510 120.400 0.185 0.000 2.527 954 D HA 0.551 5.199 4.640 0.014 0.000 0.242 954 D C -0.801 175.500 176.300 0.001 0.000 1.285 954 D CA -0.490 53.513 54.000 0.005 0.000 0.886 954 D CB 0.068 40.907 40.800 0.066 0.000 1.402 954 D HN 0.508 nan 8.370 nan 0.000 0.528 955 F N -0.336 119.606 119.950 -0.013 0.000 2.675 955 F HA 0.752 5.287 4.527 0.014 0.000 0.324 955 F C -0.826 174.934 175.800 -0.065 0.000 1.106 955 F CA -1.015 56.916 58.000 -0.116 0.000 0.970 955 F CB 0.828 39.758 39.000 -0.117 0.000 1.385 955 F HN -0.189 nan 8.300 nan 0.000 0.489 956 Q N 1.655 121.538 119.800 0.138 0.000 2.301 956 Q HA 0.660 5.008 4.340 0.014 0.000 0.267 956 Q C -1.224 174.857 176.000 0.136 0.000 1.035 956 Q CA -0.558 55.247 55.803 0.002 0.000 0.856 956 Q CB 2.674 31.309 28.738 -0.172 0.000 1.337 956 Q HN 0.874 nan 8.270 nan 0.000 0.450 957 F N -1.204 118.641 119.950 -0.175 0.000 2.693 957 F HA 0.703 5.239 4.527 0.014 0.000 0.309 957 F C -1.592 174.001 175.800 -0.346 0.000 1.129 957 F CA -1.124 56.728 58.000 -0.247 0.000 0.948 957 F CB 1.429 40.303 39.000 -0.210 0.000 1.315 957 F HN 0.568 nan 8.300 nan 0.000 0.447 958 N N 1.894 120.431 118.700 -0.271 0.000 2.321 958 N HA 0.767 5.515 4.740 0.014 0.000 0.290 958 N C -2.060 173.396 175.510 -0.090 0.000 1.212 958 N CA -0.787 52.077 53.050 -0.310 0.000 0.767 958 N CB 2.704 41.023 38.487 -0.281 0.000 1.494 958 N HN 1.117 nan 8.380 nan 0.000 0.479 959 I N 0.285 120.794 120.570 -0.102 0.000 2.649 959 I HA 0.643 4.821 4.170 0.014 0.000 0.289 959 I C -1.462 174.585 176.117 -0.116 0.000 1.222 959 I CA 0.027 61.239 61.300 -0.146 0.000 1.046 959 I CB 1.364 39.207 38.000 -0.262 0.000 1.272 959 I HN 1.064 nan 8.210 nan 0.000 0.425 960 S N 6.291 121.937 115.700 -0.090 0.000 2.655 960 S HA 0.501 4.979 4.470 0.014 0.000 0.266 960 S C -0.319 174.197 174.600 -0.141 0.000 1.149 960 S CA -0.959 57.185 58.200 -0.093 0.000 0.818 960 S CB 1.684 64.891 63.200 0.013 0.000 1.130 960 S HN 0.629 nan 8.310 nan 0.000 0.476 961 R N -0.058 120.188 120.500 -0.424 0.000 2.356 961 R HA 0.271 4.619 4.340 0.014 0.000 0.234 961 R C -0.919 175.065 176.300 -0.527 0.000 0.929 961 R CA 0.282 56.105 56.100 -0.461 0.000 1.084 961 R CB -1.002 28.905 30.300 -0.656 0.000 1.105 961 R HN 0.657 nan 8.270 nan 0.000 0.515 962 Y N -0.024 120.243 120.300 -0.055 0.000 2.376 962 Y HA 0.224 4.782 4.550 0.014 0.000 0.340 962 Y C 0.697 176.377 175.900 -0.365 0.000 0.965 962 Y CA -1.167 56.814 58.100 -0.199 0.000 1.078 962 Y CB 1.417 39.706 38.460 -0.285 0.000 1.193 962 Y HN -0.102 nan 8.280 nan 0.000 0.452 963 S N 1.548 116.903 115.700 -0.574 0.000 2.593 963 S HA 0.045 4.523 4.470 0.014 0.000 0.269 963 S C 0.890 175.155 174.600 -0.557 0.000 1.334 963 S CA -0.768 56.750 58.200 -1.136 0.000 1.015 963 S CB 1.145 63.560 63.200 -1.309 0.000 0.912 963 S HN 0.732 nan 8.310 nan 0.000 0.541 964 Q N 0.833 120.324 119.800 -0.514 0.000 2.135 964 Q HA -0.222 4.127 4.340 0.014 0.000 0.204 964 Q C 2.221 178.082 176.000 -0.231 0.000 0.981 964 Q CA 1.966 57.609 55.803 -0.266 0.000 0.856 964 Q CB -0.561 28.059 28.738 -0.197 0.000 0.902 964 Q HN 0.975 nan 8.270 nan 0.000 0.425 965 Q N 0.533 120.158 119.800 -0.291 0.000 2.084 965 Q HA -0.217 4.132 4.340 0.014 0.000 0.202 965 Q C 2.121 178.013 176.000 -0.180 0.000 0.978 965 Q CA 1.545 57.233 55.803 -0.192 0.000 0.844 965 Q CB 0.018 28.647 28.738 -0.182 0.000 0.898 965 Q HN 0.398 nan 8.270 nan 0.000 0.426 966 Q N -0.094 119.566 119.800 -0.234 0.000 2.119 966 Q HA -0.146 4.202 4.340 0.014 0.000 0.201 966 Q C 2.162 178.032 176.000 -0.216 0.000 0.972 966 Q CA 1.120 56.797 55.803 -0.210 0.000 0.847 966 Q CB -0.006 28.576 28.738 -0.259 0.000 0.903 966 Q HN 0.475 nan 8.270 nan 0.000 0.433 967 L N 0.499 121.592 121.223 -0.217 0.000 2.046 967 L HA -0.207 4.141 4.340 0.014 0.000 0.208 967 L C 2.679 179.421 176.870 -0.213 0.000 1.077 967 L CA 1.467 56.177 54.840 -0.217 0.000 0.747 967 L CB -0.544 41.422 42.059 -0.156 0.000 0.896 967 L HN 0.433 nan 8.230 nan 0.000 0.432 968 M N -1.603 117.902 119.600 -0.158 0.000 2.492 968 M HA -0.055 4.433 4.480 0.014 0.000 0.262 968 M C 1.294 177.525 176.300 -0.114 0.000 1.090 968 M CA 1.551 56.773 55.300 -0.130 0.000 1.110 968 M CB -0.283 32.252 32.600 -0.108 0.000 1.407 968 M HN 0.100 nan 8.290 nan 0.000 0.470 969 E N 0.902 121.032 120.200 -0.118 0.000 2.474 969 E HA 0.129 4.487 4.350 0.014 0.000 0.195 969 E C -0.478 176.072 176.600 -0.083 0.000 1.039 969 E CA 0.025 56.378 56.400 -0.079 0.000 0.881 969 E CB 0.642 30.303 29.700 -0.065 0.000 0.970 969 E HN 0.384 nan 8.360 nan 0.000 0.486 970 T N 0.074 114.542 114.554 -0.145 0.000 2.792 970 T HA 0.096 4.454 4.350 0.014 0.000 0.280 970 T C 0.907 175.511 174.700 -0.159 0.000 0.990 970 T CA -0.526 61.489 62.100 -0.142 0.000 0.960 970 T CB 1.665 70.412 68.868 -0.200 0.000 0.939 970 T HN 0.008 nan 8.240 nan 0.000 0.439 971 S N 1.744 117.454 115.700 0.017 0.000 2.558 971 S HA 0.112 4.590 4.470 0.014 0.000 0.217 971 S C 0.241 174.949 174.600 0.179 0.000 0.975 971 S CA 0.212 58.516 58.200 0.174 0.000 0.912 971 S CB -0.211 63.240 63.200 0.418 0.000 0.776 971 S HN 0.734 nan 8.310 nan 0.000 0.526 972 H N 0.417 119.480 119.070 -0.011 0.000 2.865 972 H HA 0.481 5.045 4.556 0.014 0.000 0.362 972 H C 0.843 176.129 175.328 -0.070 0.000 1.114 972 H CA -0.787 55.301 56.048 0.068 0.000 1.208 972 H CB 1.511 31.276 29.762 0.004 0.000 1.727 972 H HN 0.115 nan 8.280 nan 0.000 0.534 973 R N 1.714 122.313 120.500 0.165 0.000 2.152 973 R HA -0.149 4.199 4.340 0.014 0.000 0.232 973 R C 1.106 177.407 176.300 0.003 0.000 1.117 973 R CA 1.790 57.921 56.100 0.051 0.000 0.981 973 R CB -0.367 30.008 30.300 0.126 0.000 0.870 973 R HN 0.756 nan 8.270 nan 0.000 0.451 974 H N 0.975 120.050 119.070 0.008 0.000 2.546 974 H HA 0.044 4.608 4.556 0.014 0.000 0.277 974 H C 1.447 176.697 175.328 -0.130 0.000 1.004 974 H CA 0.675 56.688 56.048 -0.058 0.000 1.231 974 H CB -0.098 29.626 29.762 -0.062 0.000 1.382 974 H HN 0.314 nan 8.280 nan 0.000 0.580 975 L N 0.875 121.697 121.223 -0.669 0.000 2.592 975 L HA 0.207 4.555 4.340 0.014 0.000 0.227 975 L C 0.748 177.473 176.870 -0.243 0.000 1.127 975 L CA -0.114 54.424 54.840 -0.503 0.000 0.884 975 L CB 0.083 41.822 42.059 -0.534 0.000 1.065 975 L HN 0.057 nan 8.230 nan 0.000 0.457 976 L N 0.888 121.959 121.223 -0.253 0.000 2.439 976 L HA 0.146 4.494 4.340 0.014 0.000 0.269 976 L C 0.184 177.021 176.870 -0.055 0.000 1.179 976 L CA -0.093 54.572 54.840 -0.291 0.000 0.828 976 L CB 0.412 42.078 42.059 -0.655 0.000 1.106 976 L HN 0.214 nan 8.230 nan 0.000 0.467 977 H N 1.347 120.455 119.070 0.063 0.000 2.600 977 H HA 0.587 5.151 4.556 0.014 0.000 0.357 977 H C -0.795 174.656 175.328 0.205 0.000 1.106 977 H CA -1.255 54.863 56.048 0.117 0.000 1.193 977 H CB 1.382 31.163 29.762 0.031 0.000 1.594 977 H HN 0.668 nan 8.280 nan 0.000 0.526 978 A N 3.472 126.406 122.820 0.190 0.000 2.520 978 A HA 0.096 4.424 4.320 0.014 0.000 0.245 978 A C 0.370 177.994 177.584 0.067 0.000 1.072 978 A CA -0.189 51.796 52.037 -0.087 0.000 0.761 978 A CB -0.080 18.856 19.000 -0.107 0.000 1.004 978 A HN 0.839 nan 8.150 nan 0.000 0.499 979 E N 1.084 121.301 120.200 0.028 0.000 2.359 979 E HA 0.200 4.558 4.350 0.014 0.000 0.255 979 E C -0.008 176.639 176.600 0.079 0.000 1.191 979 E CA -0.669 55.830 56.400 0.165 0.000 0.952 979 E CB 0.645 30.517 29.700 0.288 0.000 1.152 979 E HN 0.796 nan 8.360 nan 0.000 0.496 980 E N 0.068 120.311 120.200 0.072 0.000 2.398 980 E HA 0.185 4.543 4.350 0.014 0.000 0.263 980 E C 0.323 176.897 176.600 -0.042 0.000 1.046 980 E CA 0.584 56.989 56.400 0.008 0.000 0.908 980 E CB 0.423 30.123 29.700 -0.000 0.000 0.963 980 E HN 0.662 nan 8.360 nan 0.000 0.431 981 G N 2.495 111.268 108.800 -0.045 0.000 2.692 981 G HA2 -0.242 3.726 3.960 0.014 0.000 0.248 981 G HA3 -0.242 3.726 3.960 0.014 0.000 0.248 981 G C -0.589 174.264 174.900 -0.079 0.000 1.340 981 G CA -0.116 44.943 45.100 -0.069 0.000 0.896 981 G HN 0.582 nan 8.290 nan 0.000 0.570 982 T N 0.311 114.803 114.554 -0.104 0.000 2.812 982 T HA 0.489 4.847 4.350 0.014 0.000 0.282 982 T C -0.595 173.956 174.700 -0.248 0.000 0.990 982 T CA -0.125 61.914 62.100 -0.101 0.000 0.960 982 T CB 1.258 70.145 68.868 0.032 0.000 0.948 982 T HN 0.539 nan 8.240 nan 0.000 0.438 983 W N 3.399 124.614 121.300 -0.141 0.000 2.335 983 W HA 0.549 5.217 4.660 0.014 0.000 0.306 983 W C -0.222 176.171 176.519 -0.210 0.000 1.216 983 W CA -0.706 56.551 57.345 -0.146 0.000 1.237 983 W CB 0.629 30.016 29.460 -0.123 0.000 1.243 983 W HN 0.376 nan 8.180 nan 0.000 0.493 984 L N 5.930 127.132 121.223 -0.034 0.000 2.305 984 L HA 0.494 4.842 4.340 0.014 0.000 0.284 984 L C -0.896 175.875 176.870 -0.164 0.000 1.013 984 L CA -0.451 54.253 54.840 -0.226 0.000 0.819 984 L CB 0.705 42.467 42.059 -0.496 0.000 1.227 984 L HN 0.306 nan 8.230 nan 0.000 0.417 985 N N 7.149 125.747 118.700 -0.169 0.000 2.479 985 N HA 0.452 5.200 4.740 0.014 0.000 0.261 985 N C -1.172 174.201 175.510 -0.228 0.000 0.979 985 N CA -0.222 52.729 53.050 -0.164 0.000 0.930 985 N CB 2.122 40.543 38.487 -0.111 0.000 1.172 985 N HN 0.558 nan 8.380 nan 0.000 0.499 986 I N 1.901 122.286 120.570 -0.308 0.000 2.382 986 I HA 0.248 4.426 4.170 0.014 0.000 0.286 986 I C -0.645 175.280 176.117 -0.321 0.000 1.002 986 I CA -0.582 60.497 61.300 -0.368 0.000 1.135 986 I CB 1.636 39.227 38.000 -0.682 0.000 1.288 986 I HN 0.176 nan 8.210 nan 0.000 0.448 987 D N 4.334 124.583 120.400 -0.251 0.000 2.248 987 D HA 0.295 4.943 4.640 0.014 0.000 0.246 987 D C 0.902 176.886 176.300 -0.525 0.000 1.027 987 D CA -0.290 53.489 54.000 -0.369 0.000 0.853 987 D CB 2.547 43.229 40.800 -0.198 0.000 1.243 987 D HN 0.684 nan 8.370 nan 0.000 0.462 988 G N 0.683 108.859 108.800 -1.039 0.000 2.408 988 G HA2 0.020 3.988 3.960 0.014 0.000 0.215 988 G HA3 0.020 3.988 3.960 0.014 0.000 0.215 988 G C 0.071 174.230 174.900 -1.235 0.000 1.156 988 G CA 0.547 44.885 45.100 -1.269 0.000 0.793 988 G HN 0.364 nan 8.290 nan 0.000 0.535 989 F N -2.121 117.615 119.950 -0.357 0.000 2.619 989 F HA 0.594 5.129 4.527 0.013 0.000 0.308 989 F C -0.601 175.093 175.800 -0.176 0.000 1.097 989 F CA -1.163 56.711 58.000 -0.209 0.000 0.953 989 F CB 2.142 40.942 39.000 -0.333 0.000 1.287 989 F HN 0.031 nan 8.300 nan 0.000 0.446 990 H N 1.750 120.820 119.070 0.000 0.000 2.865 990 H HA 0.524 5.088 4.556 0.013 0.000 0.362 990 H C -0.779 174.574 175.328 0.042 0.000 1.114 990 H CA -0.858 55.170 56.048 -0.032 0.000 1.208 990 H CB 1.829 31.567 29.762 -0.041 0.000 1.727 990 H HN 0.773 nan 8.280 nan 0.000 0.534 991 M N 3.313 122.881 119.600 -0.053 0.000 2.245 991 M HA 0.262 4.750 4.480 0.014 0.000 0.330 991 M C 0.525 176.952 176.300 0.211 0.000 1.098 991 M CA 0.435 55.766 55.300 0.052 0.000 1.172 991 M CB 0.341 32.868 32.600 -0.122 0.000 1.467 991 M HN 0.836 nan 8.290 nan 0.000 0.454 992 G N 2.532 111.436 108.800 0.174 0.000 2.684 992 G HA2 0.300 4.268 3.960 0.014 0.000 0.255 992 G HA3 0.300 4.268 3.960 0.014 0.000 0.255 992 G C 0.576 175.474 174.900 -0.004 0.000 1.219 992 G CA -0.356 44.786 45.100 0.070 0.000 0.901 992 G HN 0.967 nan 8.290 nan 0.000 0.548 993 I N -2.002 118.512 120.570 -0.093 0.000 3.645 993 I HA 0.418 4.596 4.170 0.014 0.000 0.300 993 I C 1.225 177.283 176.117 -0.098 0.000 1.260 993 I CA 0.414 61.621 61.300 -0.156 0.000 1.365 993 I CB -0.556 37.246 38.000 -0.331 0.000 1.077 993 I HN 0.936 nan 8.210 nan 0.000 0.439 994 G N 1.524 110.284 108.800 -0.068 0.000 2.645 994 G HA2 0.038 4.006 3.960 0.014 0.000 0.246 994 G HA3 0.038 4.006 3.960 0.014 0.000 0.246 994 G C 0.544 175.443 174.900 -0.001 0.000 1.322 994 G CA 0.122 45.218 45.100 -0.007 0.000 0.898 994 G HN 1.340 nan 8.290 nan 0.000 0.573 995 G N -2.456 106.359 108.800 0.024 0.000 2.902 995 G HA2 0.013 3.981 3.960 0.014 0.000 0.215 995 G HA3 0.013 3.981 3.960 0.014 0.000 0.215 995 G C 0.677 175.631 174.900 0.090 0.000 0.976 995 G CA 0.964 46.089 45.100 0.041 0.000 0.794 995 G HN 0.937 nan 8.290 nan 0.000 0.557 996 D N 1.270 121.741 120.400 0.119 0.000 2.203 996 D HA 0.054 4.702 4.640 0.014 0.000 0.199 996 D C 1.007 177.340 176.300 0.054 0.000 0.997 996 D CA 2.133 56.265 54.000 0.220 0.000 0.863 996 D CB 0.130 41.070 40.800 0.235 0.000 0.928 996 D HN 0.794 nan 8.370 nan 0.000 0.458 997 D N -3.301 116.930 120.400 -0.282 0.000 2.643 997 D HA 0.339 4.988 4.640 0.014 0.000 0.283 997 D C -0.769 175.082 176.300 -0.749 0.000 1.242 997 D CA -0.742 52.684 54.000 -0.956 0.000 0.863 997 D CB 0.986 40.663 40.800 -1.870 0.000 1.382 997 D HN -0.302 nan 8.370 nan 0.000 0.444 998 S N -0.594 114.552 115.700 -0.924 0.000 2.741 998 S HA 0.243 4.721 4.470 0.014 0.000 0.247 998 S C -0.614 174.004 174.600 0.029 0.000 1.050 998 S CA -0.685 57.412 58.200 -0.173 0.000 1.025 998 S CB -0.487 62.859 63.200 0.243 0.000 0.897 998 S HN 0.627 nan 8.310 nan 0.000 0.508 999 W N 1.053 122.277 121.300 -0.127 0.000 2.036 999 W HA 0.554 5.222 4.660 0.013 0.000 0.298 999 W C -0.013 176.438 176.519 -0.114 0.000 0.885 999 W CA -0.537 56.718 57.345 -0.149 0.000 1.488 999 W CB -0.471 28.848 29.460 -0.235 0.000 1.079 999 W HN 0.173 nan 8.180 nan 0.000 0.506 1000 S N -1.040 114.530 115.700 -0.218 0.000 2.565 1000 S HA 0.628 5.106 4.470 0.014 0.000 0.269 1000 S C -3.175 171.351 174.600 -0.124 0.000 1.153 1000 S CA -1.576 56.542 58.200 -0.136 0.000 0.835 1000 S CB 1.635 64.764 63.200 -0.118 0.000 1.122 1000 S HN -0.203 nan 8.310 nan 0.000 0.462 1001 P HA 0.259 nan 4.420 nan 0.000 0.267 1001 P C 0.350 177.686 177.300 0.059 0.000 1.205 1001 P CA -0.133 62.965 63.100 -0.004 0.000 0.765 1001 P CB 0.828 32.392 31.700 -0.227 0.000 0.828 1002 S N 0.592 116.373 115.700 0.136 0.000 2.847 1002 S HA 0.146 4.624 4.470 0.014 0.000 0.254 1002 S C 0.213 174.898 174.600 0.142 0.000 1.039 1002 S CA -0.288 57.964 58.200 0.087 0.000 1.113 1002 S CB -0.256 62.942 63.200 -0.003 0.000 1.092 1002 S HN 0.120 nan 8.310 nan 0.000 0.620 1003 V N 2.794 122.840 119.914 0.220 0.000 2.488 1003 V HA 0.416 4.544 4.120 0.014 0.000 0.277 1003 V C 0.798 177.042 176.094 0.251 0.000 1.046 1003 V CA -0.265 62.147 62.300 0.187 0.000 0.986 1003 V CB 1.192 33.080 31.823 0.108 0.000 0.989 1003 V HN 0.514 nan 8.190 nan 0.000 0.475 1004 S N 3.828 119.689 115.700 0.268 0.000 2.579 1004 S HA 0.327 4.806 4.470 0.014 0.000 0.275 1004 S C 1.536 176.290 174.600 0.257 0.000 1.345 1004 S CA 0.074 58.432 58.200 0.264 0.000 1.031 1004 S CB 1.197 64.581 63.200 0.308 0.000 0.892 1004 S HN 0.991 nan 8.310 nan 0.000 0.529 1005 A N 3.268 126.195 122.820 0.178 0.000 1.927 1005 A HA -0.174 4.154 4.320 0.014 0.000 0.220 1005 A C 1.996 179.622 177.584 0.069 0.000 1.185 1005 A CA 2.013 54.136 52.037 0.143 0.000 0.639 1005 A CB -0.772 18.286 19.000 0.098 0.000 0.820 1005 A HN 0.958 nan 8.150 nan 0.000 0.451 1006 E N -0.931 119.255 120.200 -0.023 0.000 2.409 1006 E HA -0.121 4.237 4.350 0.014 0.000 0.198 1006 E C 0.744 177.118 176.600 -0.377 0.000 1.024 1006 E CA 0.786 57.050 56.400 -0.226 0.000 0.861 1006 E CB -0.443 29.039 29.700 -0.363 0.000 0.788 1006 E HN 0.683 nan 8.360 nan 0.000 0.521 1007 F N 1.087 121.089 119.950 0.087 0.000 2.661 1007 F HA 0.272 4.807 4.527 0.013 0.000 0.306 1007 F C 0.833 176.672 175.800 0.064 0.000 1.094 1007 F CA -0.487 57.564 58.000 0.086 0.000 1.254 1007 F CB 0.545 39.597 39.000 0.086 0.000 1.040 1007 F HN -0.195 nan 8.300 nan 0.000 0.562 1008 Q N 1.329 121.235 119.800 0.176 0.000 2.235 1008 Q HA 0.391 4.739 4.340 0.014 0.000 0.250 1008 Q C -0.154 175.878 176.000 0.053 0.000 0.909 1008 Q CA -0.485 55.397 55.803 0.132 0.000 0.910 1008 Q CB 1.829 30.732 28.738 0.275 0.000 1.223 1008 Q HN 0.261 nan 8.270 nan 0.000 0.432 1009 L N 2.420 123.662 121.223 0.033 0.000 2.399 1009 L HA 0.100 4.448 4.340 0.014 0.000 0.257 1009 L C 0.656 177.515 176.870 -0.018 0.000 1.236 1009 L CA -0.069 54.787 54.840 0.027 0.000 1.144 1009 L CB -0.473 41.483 42.059 -0.172 0.000 1.379 1009 L HN 0.663 nan 8.230 nan 0.000 0.414 1010 S N -1.185 114.398 115.700 -0.196 0.000 2.568 1010 S HA 0.167 4.645 4.470 0.014 0.000 0.232 1010 S C 1.619 176.132 174.600 -0.145 0.000 0.975 1010 S CA 0.140 58.052 58.200 -0.480 0.000 0.949 1010 S CB 0.733 63.474 63.200 -0.764 0.000 0.829 1010 S HN 0.521 nan 8.310 nan 0.000 0.479 1011 A N 1.422 124.182 122.820 -0.099 0.000 2.121 1011 A HA 0.443 4.771 4.320 0.014 0.000 0.218 1011 A C 2.116 179.533 177.584 -0.279 0.000 1.154 1011 A CA 1.143 52.986 52.037 -0.324 0.000 0.679 1011 A CB -1.281 17.293 19.000 -0.711 0.000 0.795 1011 A HN 1.433 nan 8.150 nan 0.000 0.458 1012 G N -1.202 107.536 108.800 -0.104 0.000 2.708 1012 G HA2 -0.324 3.644 3.960 0.014 0.000 0.229 1012 G HA3 -0.324 3.644 3.960 0.014 0.000 0.229 1012 G C 0.494 175.376 174.900 -0.030 0.000 1.236 1012 G CA 0.596 45.693 45.100 -0.005 0.000 0.749 1012 G HN 0.690 nan 8.290 nan 0.000 0.515 1013 R N -0.420 119.942 120.500 -0.229 0.000 2.534 1013 R HA 0.711 5.060 4.340 0.014 0.000 0.301 1013 R C -1.444 174.621 176.300 -0.392 0.000 0.961 1013 R CA -0.549 55.462 56.100 -0.148 0.000 0.871 1013 R CB 1.401 31.656 30.300 -0.076 0.000 1.170 1013 R HN 0.292 nan 8.270 nan 0.000 0.446 1014 Y N 0.416 120.705 120.300 -0.019 0.000 2.492 1014 Y HA 0.334 4.892 4.550 0.013 0.000 0.346 1014 Y C -0.492 175.540 175.900 0.220 0.000 0.997 1014 Y CA -0.840 57.203 58.100 -0.096 0.000 1.025 1014 Y CB 2.159 40.425 38.460 -0.323 0.000 1.263 1014 Y HN 0.587 nan 8.280 nan 0.000 0.454 1015 H N 2.833 122.165 119.070 0.437 0.000 2.600 1015 H HA 0.636 5.200 4.556 0.013 0.000 0.357 1015 H C -1.717 174.001 175.328 0.650 0.000 1.106 1015 H CA -0.942 55.353 56.048 0.412 0.000 1.193 1015 H CB 1.242 31.146 29.762 0.237 0.000 1.594 1015 H HN 0.571 nan 8.280 nan 0.000 0.526 1016 Y N 1.407 121.477 120.300 -0.383 0.000 2.656 1016 Y HA 0.463 5.022 4.550 0.014 0.000 0.334 1016 Y C -2.072 173.605 175.900 -0.371 0.000 1.179 1016 Y CA -1.119 56.831 58.100 -0.250 0.000 1.050 1016 Y CB 1.349 39.776 38.460 -0.055 0.000 1.308 1016 Y HN 0.737 nan 8.280 nan 0.000 0.456 1017 Q N 2.847 122.612 119.800 -0.058 0.000 2.340 1017 Q HA 0.790 5.138 4.340 0.014 0.000 0.276 1017 Q C -2.125 173.959 176.000 0.139 0.000 1.048 1017 Q CA -1.061 54.717 55.803 -0.043 0.000 0.832 1017 Q CB 3.389 32.140 28.738 0.022 0.000 1.373 1017 Q HN 0.864 nan 8.270 nan 0.000 0.409 1018 L N 0.861 122.156 121.223 0.121 0.000 2.424 1018 L HA 0.712 5.060 4.340 0.014 0.000 0.258 1018 L C -1.096 175.892 176.870 0.195 0.000 0.995 1018 L CA -1.227 53.727 54.840 0.190 0.000 0.821 1018 L CB 2.793 44.945 42.059 0.155 0.000 1.383 1018 L HN 0.470 nan 8.230 nan 0.000 0.410 1019 V N 0.739 120.793 119.914 0.234 0.000 2.444 1019 V HA 0.392 4.521 4.120 0.014 0.000 0.294 1019 V C -1.268 174.991 176.094 0.275 0.000 1.022 1019 V CA -0.442 61.999 62.300 0.235 0.000 0.850 1019 V CB 2.031 33.968 31.823 0.189 0.000 0.992 1019 V HN 0.590 nan 8.190 nan 0.000 0.426 1020 W N 6.999 128.352 121.300 0.088 0.000 2.429 1020 W HA 0.722 5.391 4.660 0.014 0.000 0.314 1020 W C -0.269 176.251 176.519 0.001 0.000 1.062 1020 W CA -1.157 56.157 57.345 -0.053 0.000 1.211 1020 W CB 1.409 30.895 29.460 0.043 0.000 1.305 1020 W HN 0.869 nan 8.180 nan 0.000 0.476 1021 C N 4.318 123.846 119.300 0.380 0.000 3.291 1021 C HA 0.806 5.275 4.460 0.014 0.000 0.316 1021 C C -0.655 174.456 174.990 0.202 0.000 1.391 1021 C CA -0.866 58.313 59.018 0.270 0.000 1.394 1021 C CB 1.399 29.246 27.740 0.178 0.000 1.744 1021 C HN 0.711 nan 8.230 nan 0.000 0.461 1022 Q N 2.010 121.887 119.800 0.129 0.000 2.293 1022 Q HA 0.788 5.136 4.340 0.014 0.000 0.261 1022 Q C -0.470 175.538 176.000 0.012 0.000 0.960 1022 Q CA 0.121 55.949 55.803 0.043 0.000 0.882 1022 Q CB 1.087 29.825 28.738 -0.001 0.000 1.275 1022 Q HN 0.955 nan 8.270 nan 0.000 0.445 1023 K N 0.000 120.385 120.400 -0.024 0.000 2.780 1023 K HA 0.000 4.328 4.320 0.014 0.000 0.191 1023 K CA 0.000 56.276 56.287 -0.018 0.000 0.838 1023 K CB 0.000 32.493 32.500 -0.012 0.000 1.064 1023 K HN 0.000 nan 8.250 nan 0.000 0.543