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 1bgl_1_D DATA FIRST_RESID 3 DATA SEQUENCE ITDSLAVVLQ RRDWENPGVT QLNRLAAHPP FASWRNSEEA RTDRPSQQLR DATA SEQUENCE SLNGEWRFAW FPAPEAVPES WLECDLPEAD TVVVPSNWQM HGYDAPIYTN DATA SEQUENCE VTYPITVNPP FVPTENPTGC YSLTFNVDES WLQEGQTRII FDGVNSAFHL DATA SEQUENCE WCNGRWVGYG QDSRLPSEFD LSAFLRAGEN RLAVMVLRWS DGSYLEDQDM DATA SEQUENCE WRMSGIFRDV SLLHKPTTQI SDFHVATRFN DDFSRAVLEA EVQMCGELRD DATA SEQUENCE YLRVTVSLWQ GETQVASGTA PFGGEIIDER GGYADRVTLR LNVENPKLWS DATA SEQUENCE AEIPNLYRAV VELHTADGTL IEAEACDVGF REVRIENGLL LLNGKPLLIR DATA SEQUENCE GVNRHEHHPL HGQVMDEQTM VQDILLMKQN NFNAVRCSHY PNHPLWYTLC DATA SEQUENCE DRYGLYVVDE ANIETHGMVP MNRLTDDPRW LPAMSERVTR MVQRDRNHPS DATA SEQUENCE VIIWSLGNES GHGANHDALY RWIKSVDPSR PVQYEGGGAD TTATDIICPM DATA SEQUENCE YARVDEDQPF PAVPKWSIKK WLSLPGETRP LILCEYAHAM GNSLGGFAKY DATA SEQUENCE WQAFRQYPRL QGGFVWDWVD QSLIKYDENG NPWSAYGGDF GDTPNDRQFC DATA SEQUENCE MNGLVFADRT PHPALTEAKH QQQFFQFRLS GQTIEVTSEY LFRHSDNELL DATA SEQUENCE HWMVALDGKP LASGEVPLDV APQGKQLIEL PELPQPESAG QLWLTVRVVQ DATA SEQUENCE PNATAWSEAG HISAWQQWRL AENLSVTLPA ASHAIPHLTT SEMDFCIELG DATA SEQUENCE NKRWQFNRQS GFLSQMWIGD KKQLLTPLRD QFTRAPLDND IGVSEATRID DATA SEQUENCE PNAWVERWKA AGHYQAEAAL LQCTADTLAD AVLITTAHAW QHQGKTLFIS DATA SEQUENCE RKTYRIDGSG QMAITVDVEV ASDTPHPARI GLNCQLAQVA ERVNWLGLGP DATA SEQUENCE QENYPDRLTA ACFDRWDLPL SDMYTPYVFP SENGLRCGTR ELNYGPHQWR DATA SEQUENCE GDFQFNISRY SQQQLMETSH RHLLHAEEGT WLNIDGFHMG IGGDDSWSPS DATA SEQUENCE VSAEFQLSAG RYHYQLVWCQ K VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 3 I HA 0.000 nan 4.170 nan 0.000 0.288 3 I C 0.000 176.137 176.117 0.034 0.000 1.063 3 I CA 0.000 61.322 61.300 0.036 0.000 1.566 3 I CB 0.000 38.011 38.000 0.018 0.000 1.214 4 T N -2.043 112.529 114.554 0.030 0.000 3.324 4 T HA 0.289 4.639 4.350 0.000 0.000 0.250 4 T C 0.347 175.064 174.700 0.029 0.000 1.059 4 T CA 0.520 62.618 62.100 -0.004 0.000 0.951 4 T CB -0.352 68.506 68.868 -0.017 0.000 1.030 4 T HN 0.333 nan 8.240 nan 0.000 0.576 5 D N 1.092 121.563 120.400 0.119 0.000 2.500 5 D HA 0.144 4.784 4.640 0.000 0.000 0.217 5 D C 0.713 177.219 176.300 0.343 0.000 1.159 5 D CA -0.045 54.127 54.000 0.287 0.000 0.828 5 D CB 0.731 41.715 40.800 0.307 0.000 1.039 5 D HN 0.529 nan 8.370 nan 0.000 0.512 6 S N 0.299 116.096 115.700 0.161 0.000 2.565 6 S HA 0.121 4.591 4.470 0.000 0.000 0.274 6 S C 1.363 176.037 174.600 0.123 0.000 1.309 6 S CA -0.585 57.677 58.200 0.103 0.000 1.043 6 S CB 1.283 64.509 63.200 0.043 0.000 0.939 6 S HN -0.114 nan 8.310 nan 0.000 0.504 7 L N 3.732 125.008 121.223 0.088 0.000 2.013 7 L HA -0.081 4.259 4.340 0.000 0.000 0.212 7 L C 2.966 179.885 176.870 0.082 0.000 1.073 7 L CA 2.537 57.441 54.840 0.106 0.000 0.753 7 L CB -1.838 40.231 42.059 0.018 0.000 0.890 7 L HN 1.009 nan 8.230 nan 0.000 0.432 8 A N -1.445 121.400 122.820 0.041 0.000 1.927 8 A HA -0.211 4.109 4.320 0.000 0.000 0.220 8 A C 2.367 179.962 177.584 0.019 0.000 1.185 8 A CA 2.421 54.474 52.037 0.027 0.000 0.639 8 A CB -0.952 18.054 19.000 0.011 0.000 0.820 8 A HN 0.264 nan 8.150 nan 0.000 0.451 9 V N -0.898 119.019 119.914 0.004 0.000 2.283 9 V HA -0.157 3.963 4.120 0.000 0.000 0.239 9 V C 2.555 178.603 176.094 -0.076 0.000 1.035 9 V CA 1.589 63.867 62.300 -0.037 0.000 1.018 9 V CB -0.789 31.008 31.823 -0.044 0.000 0.658 9 V HN 0.346 nan 8.190 nan 0.000 0.459 10 V N 0.721 120.571 119.914 -0.107 0.000 2.278 10 V HA -0.313 3.807 4.120 0.000 0.000 0.251 10 V C 2.324 178.392 176.094 -0.044 0.000 1.062 10 V CA 2.184 64.340 62.300 -0.241 0.000 1.038 10 V CB -0.795 30.854 31.823 -0.289 0.000 0.646 10 V HN 0.467 nan 8.190 nan 0.000 0.447 11 L N -0.339 120.957 121.223 0.121 0.000 2.275 11 L HA -0.180 4.160 4.340 0.000 0.000 0.215 11 L C 2.570 179.536 176.870 0.160 0.000 1.119 11 L CA 1.191 56.216 54.840 0.309 0.000 0.790 11 L CB -0.802 41.475 42.059 0.364 0.000 0.919 11 L HN 0.374 nan 8.230 nan 0.000 0.443 12 Q N 1.441 121.263 119.800 0.036 0.000 2.173 12 Q HA -0.226 4.114 4.340 0.000 0.000 0.208 12 Q C 2.284 178.229 176.000 -0.091 0.000 0.989 12 Q CA 1.851 57.638 55.803 -0.026 0.000 0.872 12 Q CB -0.106 28.602 28.738 -0.050 0.000 0.909 12 Q HN 0.464 nan 8.270 nan 0.000 0.420 13 R N -0.298 120.126 120.500 -0.126 0.000 2.092 13 R HA 0.040 4.380 4.340 0.000 0.000 0.231 13 R C 0.543 176.638 176.300 -0.341 0.000 1.119 13 R CA 0.962 56.944 56.100 -0.198 0.000 0.970 13 R CB -0.316 29.867 30.300 -0.195 0.000 0.864 13 R HN 0.195 nan 8.270 nan 0.000 0.440 14 R N 0.771 120.937 120.500 -0.556 0.000 3.423 14 R HA -0.118 4.222 4.340 0.000 0.000 0.271 14 R C -0.308 175.392 176.300 -1.001 0.000 1.093 14 R CA 0.504 55.837 56.100 -1.279 0.000 0.730 14 R CB -1.451 28.379 30.300 -0.782 0.000 1.190 14 R HN 0.360 nan 8.270 nan 0.000 0.437 15 D N -0.304 119.737 120.400 -0.599 0.000 2.311 15 D HA -0.184 4.456 4.640 0.000 0.000 0.212 15 D C 1.527 177.715 176.300 -0.186 0.000 0.972 15 D CA 1.660 55.407 54.000 -0.422 0.000 0.887 15 D CB -0.144 40.256 40.800 -0.666 0.000 0.915 15 D HN 0.703 nan 8.370 nan 0.000 0.497 16 W N 1.073 122.400 121.300 0.046 0.000 3.345 16 W HA 0.226 4.886 4.660 0.000 0.000 0.282 16 W C 0.352 176.984 176.519 0.187 0.000 1.302 16 W CA -0.314 57.155 57.345 0.206 0.000 1.724 16 W CB -0.228 29.390 29.460 0.263 0.000 1.104 16 W HN -0.184 nan 8.180 nan 0.000 0.694 17 E N 1.140 121.179 120.200 -0.268 0.000 3.157 17 E HA 0.082 4.432 4.350 0.000 0.000 0.203 17 E C -0.723 175.777 176.600 -0.167 0.000 0.982 17 E CA -0.214 56.114 56.400 -0.120 0.000 1.217 17 E CB -0.147 29.521 29.700 -0.054 0.000 1.123 17 E HN 0.009 nan 8.360 nan 0.000 0.457 18 N N 1.390 120.001 118.700 -0.148 0.000 2.571 18 N HA 0.159 4.899 4.740 0.000 0.000 0.286 18 N C -2.283 173.100 175.510 -0.210 0.000 1.138 18 N CA -2.023 50.904 53.050 -0.206 0.000 0.859 18 N CB 1.712 40.081 38.487 -0.196 0.000 1.414 18 N HN -0.166 nan 8.380 nan 0.000 0.529 19 P HA 0.043 nan 4.420 nan 0.000 0.223 19 P C 1.223 178.294 177.300 -0.381 0.000 1.151 19 P CA 0.659 63.439 63.100 -0.535 0.000 0.787 19 P CB 0.319 31.187 31.700 -1.385 0.000 0.788 20 G N 0.634 109.232 108.800 -0.337 0.000 2.453 20 G HA2 -0.127 3.833 3.960 0.000 0.000 0.215 20 G HA3 -0.127 3.833 3.960 0.000 0.000 0.215 20 G C 0.414 175.228 174.900 -0.143 0.000 1.201 20 G CA 0.484 45.443 45.100 -0.234 0.000 0.784 20 G HN 0.210 nan 8.290 nan 0.000 0.545 21 V N 1.508 121.352 119.914 -0.116 0.000 2.455 21 V HA 0.408 4.528 4.120 0.000 0.000 0.273 21 V C 1.255 177.380 176.094 0.050 0.000 1.045 21 V CA 0.615 62.889 62.300 -0.043 0.000 0.976 21 V CB 0.919 32.691 31.823 -0.086 0.000 0.993 21 V HN 0.469 nan 8.190 nan 0.000 0.475 22 T N 0.911 115.520 114.554 0.092 0.000 2.964 22 T HA 0.282 4.632 4.350 0.000 0.000 0.249 22 T C 0.402 175.213 174.700 0.185 0.000 1.000 22 T CA 0.449 62.633 62.100 0.140 0.000 0.992 22 T CB 0.455 69.357 68.868 0.057 0.000 1.087 22 T HN 0.731 nan 8.240 nan 0.000 0.489 23 Q N 0.113 120.025 119.800 0.186 0.000 2.893 23 Q HA 0.806 5.146 4.340 0.000 0.000 0.331 23 Q C -2.200 173.954 176.000 0.256 0.000 0.893 23 Q CA -1.068 54.846 55.803 0.185 0.000 0.783 23 Q CB 1.072 29.827 28.738 0.028 0.000 1.440 23 Q HN 0.118 nan 8.270 nan 0.000 0.508 24 L N 1.684 123.059 121.223 0.252 0.000 2.905 24 L HA 0.399 4.739 4.340 0.000 0.000 0.260 24 L C -1.315 175.711 176.870 0.260 0.000 0.933 24 L CA 0.089 55.099 54.840 0.283 0.000 1.034 24 L CB 1.604 43.940 42.059 0.461 0.000 1.550 24 L HN 0.845 nan 8.230 nan 0.000 0.480 25 N N 0.923 119.736 118.700 0.188 0.000 2.800 25 N HA -0.227 4.513 4.740 0.000 0.000 0.250 25 N C 0.434 176.024 175.510 0.133 0.000 1.078 25 N CA 1.000 54.153 53.050 0.171 0.000 0.804 25 N CB -0.768 37.819 38.487 0.167 0.000 1.135 25 N HN 0.704 nan 8.380 nan 0.000 0.565 26 R N 1.413 121.891 120.500 -0.038 0.000 2.390 26 R HA 0.359 4.699 4.340 0.000 0.000 0.291 26 R C 0.833 176.990 176.300 -0.239 0.000 1.070 26 R CA -0.428 55.410 56.100 -0.436 0.000 1.014 26 R CB 0.577 30.600 30.300 -0.462 0.000 1.007 26 R HN 0.094 nan 8.270 nan 0.000 0.466 27 L N 2.539 123.603 121.223 -0.265 0.000 2.475 27 L HA 0.291 4.631 4.340 0.000 0.000 0.250 27 L C 0.674 177.515 176.870 -0.047 0.000 1.224 27 L CA -0.523 54.263 54.840 -0.090 0.000 0.821 27 L CB 0.216 42.259 42.059 -0.027 0.000 1.141 27 L HN 0.745 nan 8.230 nan 0.000 0.494 28 A N 0.368 123.205 122.820 0.028 0.000 2.316 28 A HA 0.623 4.943 4.320 0.000 0.000 0.284 28 A C 0.193 177.874 177.584 0.163 0.000 1.115 28 A CA -0.301 51.773 52.037 0.062 0.000 0.812 28 A CB 0.799 19.837 19.000 0.064 0.000 1.064 28 A HN 0.797 nan 8.150 nan 0.000 0.489 29 A N 1.368 124.247 122.820 0.099 0.000 2.466 29 A HA 0.593 4.913 4.320 0.000 0.000 0.238 29 A C 0.239 177.928 177.584 0.176 0.000 1.074 29 A CA 0.932 53.004 52.037 0.059 0.000 0.774 29 A CB -0.301 18.683 19.000 -0.027 0.000 1.015 29 A HN 1.834 nan 8.150 nan 0.000 0.498 30 H N -2.170 116.843 119.070 -0.095 0.000 2.876 30 H HA 0.587 5.143 4.556 0.000 0.000 0.284 30 H C -3.332 171.813 175.328 -0.304 0.000 1.445 30 H CA -1.706 54.245 56.048 -0.161 0.000 1.141 30 H CB 0.181 29.819 29.762 -0.207 0.000 1.816 30 H HN 0.389 nan 8.280 nan 0.000 0.511 31 P HA 0.204 nan 4.420 nan 0.000 0.277 31 P C -2.608 174.416 177.300 -0.460 0.000 1.240 31 P CA -1.485 61.417 63.100 -0.329 0.000 0.798 31 P CB -0.152 31.346 31.700 -0.336 0.000 0.979 32 P HA -0.008 nan 4.420 nan 0.000 0.260 32 P C -0.900 176.413 177.300 0.021 0.000 1.172 32 P CA 0.962 63.985 63.100 -0.128 0.000 0.760 32 P CB -0.224 31.490 31.700 0.023 0.000 0.773 33 F N 1.756 121.836 119.950 0.216 0.000 2.480 33 F HA 0.568 5.095 4.527 0.000 0.000 0.329 33 F C 1.144 176.907 175.800 -0.062 0.000 1.091 33 F CA -0.994 57.077 58.000 0.117 0.000 0.972 33 F CB 1.287 40.341 39.000 0.090 0.000 1.150 33 F HN 0.310 nan 8.300 nan 0.000 0.467 34 A N 1.157 123.964 122.820 -0.022 0.000 1.969 34 A HA 0.373 4.693 4.320 0.000 0.000 0.205 34 A C 0.886 178.229 177.584 -0.402 0.000 1.364 34 A CA 0.843 52.578 52.037 -0.503 0.000 0.756 34 A CB -0.440 17.560 19.000 -1.668 0.000 0.988 34 A HN 1.199 nan 8.150 nan 0.000 0.490 35 S N -1.313 114.216 115.700 -0.285 0.000 4.059 35 S HA -0.099 4.371 4.470 0.000 0.000 0.332 35 S C -0.567 173.972 174.600 -0.102 0.000 1.053 35 S CA 0.149 58.249 58.200 -0.165 0.000 0.932 35 S CB -2.252 60.831 63.200 -0.196 0.000 0.849 35 S HN 0.487 nan 8.310 nan 0.000 0.511 36 W N 2.414 123.713 121.300 -0.002 0.000 2.223 36 W HA 0.240 4.900 4.660 0.000 0.000 0.334 36 W C 1.393 177.907 176.519 -0.010 0.000 1.334 36 W CA -0.421 56.929 57.345 0.008 0.000 1.246 36 W CB 0.275 29.742 29.460 0.011 0.000 1.184 36 W HN 0.389 nan 8.180 nan 0.000 0.563 37 R N 2.086 122.722 120.500 0.227 0.000 2.388 37 R HA 0.021 4.361 4.340 0.000 0.000 0.247 37 R C -0.165 176.216 176.300 0.134 0.000 0.931 37 R CA -0.067 56.115 56.100 0.137 0.000 1.082 37 R CB -0.260 30.098 30.300 0.095 0.000 1.135 37 R HN 0.382 nan 8.270 nan 0.000 0.525 38 N N -0.824 117.981 118.700 0.176 0.000 2.324 38 N HA 0.000 4.741 4.740 0.000 0.000 0.285 38 N C 0.436 175.950 175.510 0.006 0.000 1.076 38 N CA -0.210 52.890 53.050 0.084 0.000 0.864 38 N CB 1.890 40.421 38.487 0.073 0.000 1.632 38 N HN -0.187 nan 8.380 nan 0.000 0.478 39 S N 2.286 117.964 115.700 -0.037 0.000 2.348 39 S HA -0.143 4.327 4.470 0.000 0.000 0.221 39 S C 1.222 175.692 174.600 -0.216 0.000 1.033 39 S CA 1.578 59.718 58.200 -0.101 0.000 1.010 39 S CB -0.407 62.763 63.200 -0.051 0.000 0.891 39 S HN 0.704 nan 8.310 nan 0.000 0.442 40 E N 0.195 120.280 120.200 -0.191 0.000 2.153 40 E HA -0.129 4.221 4.350 0.000 0.000 0.194 40 E C 2.166 178.603 176.600 -0.273 0.000 0.988 40 E CA 1.089 57.340 56.400 -0.249 0.000 0.811 40 E CB -0.079 29.510 29.700 -0.185 0.000 0.746 40 E HN 0.681 nan 8.360 nan 0.000 0.466 41 E N -0.311 119.750 120.200 -0.231 0.000 2.107 41 E HA -0.126 4.224 4.350 0.000 0.000 0.191 41 E C 1.828 178.000 176.600 -0.713 0.000 0.982 41 E CA 0.758 57.027 56.400 -0.219 0.000 0.809 41 E CB 0.055 29.793 29.700 0.064 0.000 0.756 41 E HN 0.178 nan 8.360 nan 0.000 0.459 42 A N 1.010 123.135 122.820 -1.159 0.000 2.072 42 A HA -0.048 4.272 4.320 0.000 0.000 0.216 42 A C 1.985 178.970 177.584 -0.997 0.000 1.156 42 A CA 0.456 51.261 52.037 -2.052 0.000 0.701 42 A CB -0.138 18.045 19.000 -1.362 0.000 0.816 42 A HN 0.014 nan 8.150 nan 0.000 0.458 43 R N 0.189 120.325 120.500 -0.607 0.000 2.073 43 R HA -0.091 4.249 4.340 0.000 0.000 0.229 43 R C 1.524 177.610 176.300 -0.357 0.000 1.120 43 R CA 1.836 57.665 56.100 -0.452 0.000 0.967 43 R CB -0.249 29.734 30.300 -0.528 0.000 0.862 43 R HN 0.541 nan 8.270 nan 0.000 0.436 44 T N -1.824 112.537 114.554 -0.320 0.000 3.244 44 T HA 0.068 4.418 4.350 0.000 0.000 0.254 44 T C 0.167 174.795 174.700 -0.120 0.000 1.024 44 T CA 0.077 62.062 62.100 -0.191 0.000 0.920 44 T CB 0.199 68.974 68.868 -0.156 0.000 1.042 44 T HN 0.250 nan 8.240 nan 0.000 0.572 45 D N 1.418 121.710 120.400 -0.180 0.000 2.737 45 D HA -0.177 4.463 4.640 0.000 0.000 0.233 45 D C 0.190 176.592 176.300 0.169 0.000 1.155 45 D CA 0.542 54.551 54.000 0.015 0.000 0.667 45 D CB -0.952 39.906 40.800 0.096 0.000 1.060 45 D HN 0.647 nan 8.370 nan 0.000 0.427 46 R N -0.012 120.567 120.500 0.132 0.000 2.726 46 R HA 0.430 4.770 4.340 0.000 0.000 0.272 46 R C -2.065 174.476 176.300 0.401 0.000 1.097 46 R CA -1.041 55.187 56.100 0.213 0.000 1.198 46 R CB 0.105 30.484 30.300 0.133 0.000 1.114 46 R HN 0.080 nan 8.270 nan 0.000 0.550 47 P HA 0.026 nan 4.420 nan 0.000 0.275 47 P C -0.952 176.481 177.300 0.222 0.000 1.227 47 P CA -0.095 63.141 63.100 0.227 0.000 0.781 47 P CB 1.212 32.994 31.700 0.138 0.000 0.906 48 S N 1.864 117.584 115.700 0.033 0.000 2.437 48 S HA 0.138 4.609 4.470 0.000 0.000 0.305 48 S C 1.013 175.598 174.600 -0.026 0.000 1.109 48 S CA -0.547 57.584 58.200 -0.115 0.000 1.099 48 S CB 0.717 63.468 63.200 -0.748 0.000 1.004 48 S HN 0.381 nan 8.310 nan 0.000 0.475 49 Q N 2.716 122.553 119.800 0.061 0.000 2.364 49 Q HA -0.128 4.212 4.340 0.000 0.000 0.207 49 Q C 0.959 177.084 176.000 0.208 0.000 0.970 49 Q CA 0.927 56.808 55.803 0.129 0.000 0.888 49 Q CB -0.379 28.448 28.738 0.148 0.000 0.951 49 Q HN 0.687 nan 8.270 nan 0.000 0.469 50 Q N 0.335 120.194 119.800 0.099 0.000 2.364 50 Q HA 0.043 4.383 4.340 0.000 0.000 0.207 50 Q C -0.086 175.961 176.000 0.079 0.000 0.970 50 Q CA 0.581 56.418 55.803 0.057 0.000 0.888 50 Q CB 0.153 28.832 28.738 -0.097 0.000 0.951 50 Q HN 0.190 nan 8.270 nan 0.000 0.469 51 L N 0.612 121.880 121.223 0.075 0.000 2.282 51 L HA 0.411 4.751 4.340 0.000 0.000 0.288 51 L C -0.937 176.021 176.870 0.146 0.000 1.033 51 L CA -0.156 54.730 54.840 0.077 0.000 0.807 51 L CB 1.209 43.246 42.059 -0.036 0.000 1.209 51 L HN -0.118 nan 8.230 nan 0.000 0.423 52 R N 2.777 123.379 120.500 0.169 0.000 2.514 52 R HA 0.352 4.692 4.340 0.000 0.000 0.296 52 R C -1.058 175.272 176.300 0.050 0.000 1.012 52 R CA -0.455 55.717 56.100 0.119 0.000 0.897 52 R CB 2.095 32.486 30.300 0.152 0.000 1.184 52 R HN 0.724 nan 8.270 nan 0.000 0.440 53 S N 3.373 119.090 115.700 0.027 0.000 2.537 53 S HA 0.284 4.754 4.470 0.000 0.000 0.275 53 S C 0.954 175.556 174.600 0.005 0.000 1.272 53 S CA -0.512 57.693 58.200 0.009 0.000 1.050 53 S CB 0.570 63.779 63.200 0.016 0.000 0.961 53 S HN 0.586 nan 8.310 nan 0.000 0.496 54 L N 3.814 125.043 121.223 0.010 0.000 2.741 54 L HA 0.274 4.615 4.340 0.000 0.000 0.237 54 L C 0.256 177.305 176.870 0.298 0.000 1.178 54 L CA -0.378 54.510 54.840 0.080 0.000 0.973 54 L CB -0.475 41.594 42.059 0.016 0.000 1.255 54 L HN 0.544 nan 8.230 nan 0.000 0.498 55 N N 1.829 120.609 118.700 0.133 0.000 2.483 55 N HA 0.393 5.133 4.740 0.000 0.000 0.264 55 N C 0.545 176.152 175.510 0.163 0.000 1.197 55 N CA 0.717 53.819 53.050 0.086 0.000 0.927 55 N CB 1.844 40.338 38.487 0.012 0.000 1.065 55 N HN 0.345 nan 8.380 nan 0.000 0.461 56 G N 1.321 110.231 108.800 0.184 0.000 2.513 56 G HA2 0.007 3.967 3.960 0.000 0.000 0.182 56 G HA3 0.007 3.967 3.960 0.000 0.000 0.182 56 G C -1.511 173.565 174.900 0.294 0.000 1.190 56 G CA -0.634 44.600 45.100 0.222 0.000 0.987 56 G HN 0.416 nan 8.290 nan 0.000 0.479 57 E N 0.025 120.428 120.200 0.338 0.000 2.146 57 E HA 0.537 4.887 4.350 0.000 0.000 0.282 57 E C -0.992 175.920 176.600 0.520 0.000 0.989 57 E CA -0.364 56.235 56.400 0.332 0.000 0.799 57 E CB 0.970 30.789 29.700 0.199 0.000 1.088 57 E HN 0.366 nan 8.360 nan 0.000 0.397 58 W N 1.912 123.297 121.300 0.142 0.000 3.164 58 W HA 0.512 5.172 4.660 0.000 0.000 0.325 58 W C -0.050 176.581 176.519 0.188 0.000 1.228 58 W CA -0.764 56.690 57.345 0.181 0.000 1.024 58 W CB 0.696 30.309 29.460 0.256 0.000 1.534 58 W HN 0.242 nan 8.180 nan 0.000 0.614 59 R N 1.038 121.806 120.500 0.447 0.000 2.514 59 R HA 0.600 4.940 4.340 0.000 0.000 0.301 59 R C -1.756 174.746 176.300 0.337 0.000 0.962 59 R CA -0.907 55.384 56.100 0.317 0.000 0.882 59 R CB 1.958 32.389 30.300 0.218 0.000 1.143 59 R HN 0.370 nan 8.270 nan 0.000 0.452 60 F N 1.278 121.242 119.950 0.024 0.000 2.574 60 F HA 0.624 5.151 4.527 0.000 0.000 0.313 60 F C -1.384 174.262 175.800 -0.257 0.000 1.130 60 F CA -0.436 57.447 58.000 -0.195 0.000 0.936 60 F CB 1.746 40.526 39.000 -0.368 0.000 1.219 60 F HN 0.624 nan 8.300 nan 0.000 0.445 61 A N 4.543 126.631 122.820 -1.219 0.000 2.386 61 A HA 0.774 5.094 4.320 0.000 0.000 0.308 61 A C -2.354 174.289 177.584 -1.568 0.000 1.128 61 A CA -0.682 50.717 52.037 -1.064 0.000 0.789 61 A CB 1.164 19.753 19.000 -0.685 0.000 1.325 61 A HN 0.970 nan 8.150 nan 0.000 0.437 62 W N 1.266 121.746 121.300 -1.367 0.000 2.957 62 W HA 0.710 5.370 4.660 0.000 0.000 0.336 62 W C -2.436 173.557 176.519 -0.877 0.000 1.087 62 W CA -0.487 56.204 57.345 -1.089 0.000 1.235 62 W CB 1.446 30.417 29.460 -0.816 0.000 1.399 62 W HN 0.511 nan 8.180 nan 0.000 0.480 63 F N 6.331 125.555 119.950 -1.211 0.000 2.588 63 F HA 0.462 4.989 4.527 0.000 0.000 0.314 63 F C -1.315 173.767 175.800 -1.198 0.000 1.069 63 F CA -2.360 55.103 58.000 -0.894 0.000 0.931 63 F CB 1.412 40.082 39.000 -0.549 0.000 1.260 63 F HN 0.130 nan 8.300 nan 0.000 0.465 64 P HA -0.097 nan 4.420 nan 0.000 0.215 64 P C -0.117 177.066 177.300 -0.195 0.000 1.157 64 P CA 1.655 64.623 63.100 -0.219 0.000 0.874 64 P CB 0.292 32.024 31.700 0.053 0.000 0.790 65 A N -2.084 120.644 122.820 -0.154 0.000 2.527 65 A HA 0.588 4.908 4.320 0.000 0.000 0.293 65 A C -2.196 175.257 177.584 -0.217 0.000 1.117 65 A CA -1.429 50.529 52.037 -0.132 0.000 0.723 65 A CB 0.690 19.671 19.000 -0.031 0.000 1.313 65 A HN -0.192 nan 8.150 nan 0.000 0.411 66 P HA -0.055 nan 4.420 nan 0.000 0.220 66 P C 0.650 177.817 177.300 -0.222 0.000 1.152 66 P CA 1.331 64.273 63.100 -0.263 0.000 0.812 66 P CB 0.113 31.646 31.700 -0.279 0.000 0.792 67 E N 0.379 120.509 120.200 -0.117 0.000 2.265 67 E HA -0.088 4.262 4.350 0.000 0.000 0.196 67 E C 1.922 178.436 176.600 -0.144 0.000 0.996 67 E CA 1.115 57.469 56.400 -0.075 0.000 0.832 67 E CB -0.660 29.044 29.700 0.006 0.000 0.756 67 E HN 0.205 nan 8.360 nan 0.000 0.491 68 A N 1.042 123.732 122.820 -0.216 0.000 2.235 68 A HA 0.063 4.383 4.320 0.000 0.000 0.208 68 A C 0.943 178.204 177.584 -0.537 0.000 1.172 68 A CA -0.015 51.885 52.037 -0.229 0.000 0.786 68 A CB -0.017 18.945 19.000 -0.064 0.000 0.804 68 A HN 0.035 nan 8.150 nan 0.000 0.479 69 V N 1.278 120.762 119.914 -0.717 0.000 2.811 69 V HA 0.251 4.371 4.120 0.000 0.000 0.302 69 V C -2.420 173.424 176.094 -0.416 0.000 1.063 69 V CA -1.211 60.533 62.300 -0.927 0.000 1.088 69 V CB 0.779 32.038 31.823 -0.941 0.000 0.982 69 V HN 0.253 nan 8.190 nan 0.000 0.485 70 P HA 0.423 nan 4.420 nan 0.000 0.303 70 P C 0.329 177.610 177.300 -0.032 0.000 1.350 70 P CA -0.630 62.407 63.100 -0.104 0.000 0.880 70 P CB 1.761 33.444 31.700 -0.030 0.000 1.018 71 E N 2.011 122.188 120.200 -0.038 0.000 2.086 71 E HA -0.270 4.080 4.350 0.000 0.000 0.205 71 E C 1.633 178.217 176.600 -0.027 0.000 1.027 71 E CA 2.681 59.057 56.400 -0.041 0.000 0.830 71 E CB -0.583 29.095 29.700 -0.036 0.000 0.751 71 E HN 0.451 nan 8.360 nan 0.000 0.456 72 S N -0.081 115.620 115.700 0.001 0.000 2.408 72 S HA -0.316 4.154 4.470 0.000 0.000 0.241 72 S C 1.595 176.214 174.600 0.031 0.000 1.080 72 S CA 1.531 59.739 58.200 0.015 0.000 1.109 72 S CB -1.319 61.903 63.200 0.037 0.000 0.966 72 S HN 0.586 nan 8.310 nan 0.000 0.449 73 W N 2.628 123.853 121.300 -0.124 0.000 2.279 73 W HA -0.205 4.455 4.660 0.000 0.000 0.298 73 W C 1.766 178.183 176.519 -0.171 0.000 1.228 73 W CA 1.220 58.485 57.345 -0.134 0.000 1.230 73 W CB -0.790 28.562 29.460 -0.179 0.000 1.138 73 W HN 0.311 nan 8.180 nan 0.000 0.532 74 L N -0.216 120.814 121.223 -0.322 0.000 2.042 74 L HA -0.228 4.112 4.340 0.000 0.000 0.210 74 L C 2.619 179.289 176.870 -0.334 0.000 1.076 74 L CA 1.761 56.295 54.840 -0.511 0.000 0.749 74 L CB -0.746 41.039 42.059 -0.457 0.000 0.893 74 L HN -0.008 nan 8.230 nan 0.000 0.432 75 E N -1.032 119.056 120.200 -0.186 0.000 2.079 75 E HA 0.049 4.399 4.350 0.000 0.000 0.191 75 E C 0.527 177.075 176.600 -0.087 0.000 0.961 75 E CA 0.456 56.789 56.400 -0.113 0.000 0.823 75 E CB 0.243 29.905 29.700 -0.063 0.000 0.789 75 E HN 0.397 nan 8.360 nan 0.000 0.459 76 C N 2.139 121.410 119.300 -0.048 0.000 2.435 76 C HA 0.403 4.863 4.460 0.000 0.000 0.333 76 C C 0.142 175.162 174.990 0.051 0.000 1.202 76 C CA -1.286 57.731 59.018 -0.002 0.000 1.830 76 C CB 1.174 28.924 27.740 0.016 0.000 2.326 76 C HN 0.209 nan 8.230 nan 0.000 0.507 77 D N 1.852 122.290 120.400 0.064 0.000 2.390 77 D HA 0.215 4.855 4.640 0.000 0.000 0.249 77 D C -0.031 176.343 176.300 0.123 0.000 1.144 77 D CA 0.228 54.303 54.000 0.124 0.000 0.880 77 D CB 0.782 41.643 40.800 0.101 0.000 1.182 77 D HN 0.412 nan 8.370 nan 0.000 0.451 78 L N 5.466 126.786 121.223 0.161 0.000 2.513 78 L HA 0.036 4.376 4.340 0.000 0.000 0.272 78 L C -0.780 176.125 176.870 0.059 0.000 1.187 78 L CA -1.253 53.646 54.840 0.099 0.000 0.895 78 L CB 0.291 42.392 42.059 0.071 0.000 1.147 78 L HN 0.250 nan 8.230 nan 0.000 0.483 79 P HA -0.229 nan 4.420 nan 0.000 0.217 79 P C 0.476 177.789 177.300 0.022 0.000 1.158 79 P CA 1.523 64.642 63.100 0.031 0.000 0.887 79 P CB 0.075 31.789 31.700 0.023 0.000 0.792 80 E N -0.417 119.787 120.200 0.006 0.000 2.303 80 E HA 0.434 4.784 4.350 0.000 0.000 0.211 80 E C 0.223 176.806 176.600 -0.027 0.000 1.223 80 E CA -0.431 55.960 56.400 -0.014 0.000 1.344 80 E CB -0.345 29.333 29.700 -0.037 0.000 1.299 80 E HN 0.184 nan 8.360 nan 0.000 0.441 81 A N 1.216 124.039 122.820 0.003 0.000 2.330 81 A HA 0.285 4.605 4.320 0.000 0.000 0.327 81 A C -0.266 177.361 177.584 0.072 0.000 1.155 81 A CA -0.915 51.126 52.037 0.006 0.000 0.803 81 A CB 0.853 19.858 19.000 0.010 0.000 1.208 81 A HN 0.086 nan 8.150 nan 0.000 0.477 82 D N 0.549 121.023 120.400 0.122 0.000 2.356 82 D HA 0.274 4.914 4.640 0.000 0.000 0.258 82 D C -0.308 176.097 176.300 0.175 0.000 1.279 82 D CA 0.627 54.724 54.000 0.163 0.000 1.016 82 D CB 0.479 41.430 40.800 0.252 0.000 1.107 82 D HN 0.402 nan 8.370 nan 0.000 0.544 83 T N 0.497 115.152 114.554 0.168 0.000 2.833 83 T HA 0.436 4.786 4.350 0.000 0.000 0.297 83 T C -0.333 174.479 174.700 0.186 0.000 1.015 83 T CA -0.523 61.682 62.100 0.176 0.000 0.963 83 T CB 1.077 70.024 68.868 0.131 0.000 0.955 83 T HN 0.016 nan 8.240 nan 0.000 0.449 84 V N 3.481 123.536 119.914 0.233 0.000 2.864 84 V HA 0.556 4.676 4.120 0.000 0.000 0.314 84 V C -0.017 176.206 176.094 0.216 0.000 1.073 84 V CA -0.852 61.579 62.300 0.219 0.000 0.956 84 V CB 2.426 34.353 31.823 0.175 0.000 1.023 84 V HN 0.588 nan 8.190 nan 0.000 0.435 85 V N 3.249 123.276 119.914 0.189 0.000 2.607 85 V HA 0.460 4.580 4.120 0.000 0.000 0.289 85 V C -0.269 175.828 176.094 0.005 0.000 1.053 85 V CA -0.092 62.275 62.300 0.112 0.000 0.996 85 V CB 1.829 33.703 31.823 0.086 0.000 0.995 85 V HN 0.591 nan 8.190 nan 0.000 0.476 86 V N 7.455 127.293 119.914 -0.126 0.000 2.588 86 V HA 0.501 4.621 4.120 0.000 0.000 0.304 86 V C -2.204 173.749 176.094 -0.235 0.000 1.042 86 V CA -1.475 60.639 62.300 -0.310 0.000 0.877 86 V CB 2.366 33.706 31.823 -0.805 0.000 0.996 86 V HN 0.782 nan 8.190 nan 0.000 0.425 87 P HA 0.585 nan 4.420 nan 0.000 0.279 87 P C -0.892 176.323 177.300 -0.141 0.000 1.276 87 P CA -0.340 62.637 63.100 -0.205 0.000 0.801 87 P CB 1.562 33.168 31.700 -0.157 0.000 1.127 88 S N -1.265 114.367 115.700 -0.114 0.000 2.622 88 S HA 0.331 4.801 4.470 0.000 0.000 0.275 88 S C -1.527 172.984 174.600 -0.150 0.000 1.112 88 S CA -1.005 57.102 58.200 -0.155 0.000 0.837 88 S CB -0.106 62.941 63.200 -0.256 0.000 1.082 88 S HN 0.339 nan 8.310 nan 0.000 0.456 89 N N 1.507 120.067 118.700 -0.233 0.000 2.469 89 N HA 0.402 5.142 4.740 0.000 0.000 0.253 89 N C 0.686 176.040 175.510 -0.259 0.000 0.970 89 N CA -0.734 52.164 53.050 -0.252 0.000 0.940 89 N CB 0.553 38.870 38.487 -0.284 0.000 1.128 89 N HN 0.826 nan 8.380 nan 0.000 0.503 90 W N 2.989 124.137 121.300 -0.253 0.000 2.303 90 W HA -0.261 4.399 4.660 0.000 0.000 0.287 90 W C 0.807 177.318 176.519 -0.013 0.000 1.213 90 W CA 1.222 58.426 57.345 -0.236 0.000 1.203 90 W CB -0.502 28.791 29.460 -0.278 0.000 1.136 90 W HN 0.496 nan 8.180 nan 0.000 0.547 91 Q N 0.204 120.028 119.800 0.040 0.000 2.172 91 Q HA -0.056 4.284 4.340 0.000 0.000 0.200 91 Q C 1.971 177.988 176.000 0.030 0.000 0.964 91 Q CA 1.438 57.272 55.803 0.051 0.000 0.855 91 Q CB -0.660 27.993 28.738 -0.141 0.000 0.918 91 Q HN 0.254 nan 8.270 nan 0.000 0.444 92 M N -0.208 119.389 119.600 -0.005 0.000 2.691 92 M HA 0.012 4.492 4.480 0.000 0.000 0.227 92 M C 0.261 176.772 176.300 0.352 0.000 1.120 92 M CA 1.072 56.422 55.300 0.084 0.000 1.034 92 M CB -0.680 31.951 32.600 0.052 0.000 1.675 92 M HN 0.349 nan 8.290 nan 0.000 0.514 93 H N -1.648 117.447 119.070 0.042 0.000 3.233 93 H HA 0.315 4.872 4.556 0.000 0.000 0.263 93 H C 1.207 176.406 175.328 -0.216 0.000 1.168 93 H CA 0.270 56.317 56.048 -0.001 0.000 1.159 93 H CB 1.099 30.970 29.762 0.181 0.000 1.593 93 H HN 0.495 nan 8.280 nan 0.000 0.580 94 G N 0.939 109.727 108.800 -0.021 0.000 2.176 94 G HA2 -0.357 3.603 3.960 0.000 0.000 0.232 94 G HA3 -0.357 3.603 3.960 0.000 0.000 0.232 94 G C 0.514 175.271 174.900 -0.238 0.000 0.986 94 G CA 0.408 45.400 45.100 -0.179 0.000 0.643 94 G HN 0.389 nan 8.290 nan 0.000 0.522 95 Y N 1.987 122.269 120.300 -0.030 0.000 2.081 95 Y HA 0.218 4.768 4.550 0.000 0.000 0.280 95 Y C 1.701 177.361 175.900 -0.401 0.000 1.163 95 Y CA 1.586 59.527 58.100 -0.266 0.000 1.135 95 Y CB -0.425 37.752 38.460 -0.471 0.000 0.970 95 Y HN 0.636 nan 8.280 nan 0.000 0.498 96 D N -2.314 118.167 120.400 0.135 0.000 2.759 96 D HA 0.572 5.212 4.640 0.000 0.000 0.321 96 D C -1.334 175.065 176.300 0.165 0.000 1.267 96 D CA -0.780 53.312 54.000 0.153 0.000 0.933 96 D CB 0.830 41.844 40.800 0.357 0.000 1.431 96 D HN 0.131 nan 8.370 nan 0.000 0.504 97 A N -0.137 122.784 122.820 0.168 0.000 2.292 97 A HA 0.717 5.037 4.320 0.000 0.000 0.319 97 A C -2.472 175.130 177.584 0.030 0.000 1.206 97 A CA -1.369 50.739 52.037 0.118 0.000 0.835 97 A CB 0.231 19.367 19.000 0.226 0.000 1.164 97 A HN 0.466 nan 8.150 nan 0.000 0.505 98 P HA 0.289 nan 4.420 nan 0.000 0.269 98 P C -0.720 176.630 177.300 0.084 0.000 1.215 98 P CA 0.277 63.245 63.100 -0.220 0.000 0.780 98 P CB 0.500 31.767 31.700 -0.721 0.000 0.898 99 I N 1.908 122.672 120.570 0.323 0.000 2.498 99 I HA 0.252 4.422 4.170 0.000 0.000 0.290 99 I C -0.844 175.551 176.117 0.464 0.000 1.032 99 I CA -0.880 60.666 61.300 0.411 0.000 1.073 99 I CB 1.842 40.015 38.000 0.287 0.000 1.251 99 I HN 0.323 nan 8.210 nan 0.000 0.426 100 Y N 6.615 127.040 120.300 0.208 0.000 2.402 100 Y HA 0.487 5.037 4.550 0.000 0.000 0.332 100 Y C -0.420 175.400 175.900 -0.135 0.000 0.960 100 Y CA -0.370 57.591 58.100 -0.232 0.000 1.228 100 Y CB 0.988 38.753 38.460 -1.159 0.000 1.120 100 Y HN 0.589 nan 8.280 nan 0.000 0.491 101 T N 2.454 116.448 114.554 -0.933 0.000 2.906 101 T HA 0.283 4.633 4.350 0.000 0.000 0.295 101 T C 0.239 174.344 174.700 -0.992 0.000 1.075 101 T CA -0.984 60.616 62.100 -0.833 0.000 1.005 101 T CB 2.077 70.703 68.868 -0.404 0.000 1.136 101 T HN 0.744 nan 8.240 nan 0.000 0.498 102 N N 0.007 118.259 118.700 -0.747 0.000 2.319 102 N HA -0.008 4.732 4.740 0.000 0.000 0.189 102 N C 1.013 176.224 175.510 -0.498 0.000 1.042 102 N CA 0.506 53.225 53.050 -0.551 0.000 0.879 102 N CB 0.311 38.506 38.487 -0.486 0.000 1.052 102 N HN 0.372 nan 8.380 nan 0.000 0.446 103 V N 0.379 119.951 119.914 -0.571 0.000 2.854 103 V HA 0.114 4.234 4.120 0.000 0.000 0.236 103 V C 0.555 176.325 176.094 -0.540 0.000 1.157 103 V CA 0.442 62.331 62.300 -0.684 0.000 1.187 103 V CB 0.050 31.381 31.823 -0.821 0.000 0.949 103 V HN 0.218 nan 8.190 nan 0.000 0.488 104 T N 1.545 115.854 114.554 -0.409 0.000 2.871 104 T HA 0.102 4.452 4.350 0.000 0.000 0.296 104 T C -0.465 174.081 174.700 -0.256 0.000 0.998 104 T CA 0.472 62.403 62.100 -0.281 0.000 1.162 104 T CB -0.310 68.437 68.868 -0.203 0.000 0.947 104 T HN 0.164 nan 8.240 nan 0.000 0.536 105 Y N 5.291 125.489 120.300 -0.170 0.000 2.511 105 Y HA 0.144 4.694 4.550 0.000 0.000 0.332 105 Y C -0.896 174.870 175.900 -0.222 0.000 1.177 105 Y CA -1.874 56.108 58.100 -0.197 0.000 1.422 105 Y CB 0.389 38.727 38.460 -0.203 0.000 1.271 105 Y HN 0.543 nan 8.280 nan 0.000 0.550 106 P HA -0.131 nan 4.420 nan 0.000 0.223 106 P C 0.168 177.279 177.300 -0.316 0.000 1.144 106 P CA 1.457 64.453 63.100 -0.173 0.000 0.783 106 P CB 0.193 31.784 31.700 -0.182 0.000 0.771 107 I N -4.782 115.535 120.570 -0.422 0.000 3.264 107 I HA 0.467 4.637 4.170 0.000 0.000 0.309 107 I C -0.615 175.365 176.117 -0.228 0.000 1.099 107 I CA -1.059 59.978 61.300 -0.437 0.000 0.989 107 I CB 1.611 39.170 38.000 -0.735 0.000 1.250 107 I HN -0.415 nan 8.210 nan 0.000 0.478 108 T N 1.629 116.089 114.554 -0.157 0.000 2.913 108 T HA 0.292 4.642 4.350 0.000 0.000 0.297 108 T C 0.138 174.817 174.700 -0.036 0.000 1.029 108 T CA -0.403 61.664 62.100 -0.056 0.000 1.104 108 T CB 1.477 70.343 68.868 -0.004 0.000 0.964 108 T HN 0.384 nan 8.240 nan 0.000 0.532 109 V N 3.686 123.610 119.914 0.017 0.000 2.313 109 V HA 0.250 4.370 4.120 0.000 0.000 0.252 109 V C 0.477 176.633 176.094 0.102 0.000 1.112 109 V CA -0.189 62.150 62.300 0.065 0.000 0.984 109 V CB -0.543 31.311 31.823 0.053 0.000 1.157 109 V HN 0.831 nan 8.190 nan 0.000 0.493 110 N N 5.444 124.265 118.700 0.202 0.000 2.673 110 N HA 0.324 5.064 4.740 0.000 0.000 0.265 110 N C -3.012 172.579 175.510 0.135 0.000 1.709 110 N CA -1.343 51.817 53.050 0.183 0.000 0.792 110 N CB 1.585 40.218 38.487 0.242 0.000 1.286 110 N HN 0.246 nan 8.380 nan 0.000 0.506 111 P HA 0.194 nan 4.420 nan 0.000 0.269 111 P C -2.115 174.918 177.300 -0.445 0.000 1.209 111 P CA -0.904 61.834 63.100 -0.605 0.000 0.776 111 P CB 0.417 31.471 31.700 -1.078 0.000 0.876 112 P HA 0.144 nan 4.420 nan 0.000 0.253 112 P C -0.461 176.739 177.300 -0.167 0.000 1.459 112 P CA -0.103 62.801 63.100 -0.326 0.000 0.908 112 P CB -0.085 31.404 31.700 -0.353 0.000 1.470 113 F N -0.167 119.901 119.950 0.198 0.000 2.444 113 F HA 0.241 4.768 4.527 0.000 0.000 0.331 113 F C 1.329 177.297 175.800 0.280 0.000 1.167 113 F CA -0.370 57.755 58.000 0.208 0.000 1.262 113 F CB 0.074 39.148 39.000 0.122 0.000 1.196 113 F HN -0.254 nan 8.300 nan 0.000 0.583 114 V N 1.033 121.241 119.914 0.490 0.000 3.158 114 V HA 0.510 4.630 4.120 0.000 0.000 0.311 114 V C -2.227 174.041 176.094 0.290 0.000 1.181 114 V CA -2.022 60.481 62.300 0.339 0.000 1.054 114 V CB 2.471 34.562 31.823 0.447 0.000 1.085 114 V HN 0.523 nan 8.190 nan 0.000 0.446 115 P HA 0.263 nan 4.420 nan 0.000 0.279 115 P C 0.609 178.068 177.300 0.264 0.000 1.239 115 P CA -0.137 63.095 63.100 0.220 0.000 0.789 115 P CB 0.709 32.533 31.700 0.205 0.000 0.933 116 T N -1.036 113.634 114.554 0.194 0.000 2.833 116 T HA -0.124 4.226 4.350 0.000 0.000 0.269 116 T C 0.342 175.138 174.700 0.160 0.000 1.054 116 T CA 1.057 63.261 62.100 0.174 0.000 1.135 116 T CB -0.542 68.398 68.868 0.120 0.000 0.869 116 T HN 0.381 nan 8.240 nan 0.000 0.466 117 E N 2.488 122.791 120.200 0.173 0.000 1.986 117 E HA 0.394 4.744 4.350 0.000 0.000 0.264 117 E C -0.617 176.115 176.600 0.220 0.000 1.023 117 E CA -0.360 56.139 56.400 0.165 0.000 0.834 117 E CB 0.249 30.052 29.700 0.170 0.000 1.111 117 E HN 0.319 nan 8.360 nan 0.000 0.417 118 N N 3.575 122.356 118.700 0.136 0.000 2.623 118 N HA 0.238 4.978 4.740 0.000 0.000 0.256 118 N C -2.738 172.719 175.510 -0.089 0.000 1.045 118 N CA -2.625 50.492 53.050 0.112 0.000 0.863 118 N CB 0.836 39.440 38.487 0.195 0.000 1.182 118 N HN -0.001 nan 8.380 nan 0.000 0.523 119 P HA -0.051 nan 4.420 nan 0.000 0.255 119 P C -0.802 176.352 177.300 -0.242 0.000 1.151 119 P CA 0.625 63.588 63.100 -0.228 0.000 0.767 119 P CB 0.014 31.866 31.700 0.253 0.000 0.736 120 T N 2.485 116.690 114.554 -0.582 0.000 2.829 120 T HA 0.659 5.009 4.350 0.000 0.000 0.280 120 T C 0.359 174.600 174.700 -0.766 0.000 0.999 120 T CA -0.626 61.209 62.100 -0.442 0.000 0.983 120 T CB 2.015 70.648 68.868 -0.391 0.000 0.968 120 T HN 0.364 nan 8.240 nan 0.000 0.446 121 G N 0.596 109.083 108.800 -0.521 0.000 2.730 121 G HA2 0.469 4.429 3.960 0.000 0.000 0.291 121 G HA3 0.469 4.429 3.960 0.000 0.000 0.291 121 G C -0.324 174.406 174.900 -0.283 0.000 1.456 121 G CA -0.526 44.150 45.100 -0.707 0.000 0.996 121 G HN 0.923 nan 8.290 nan 0.000 0.528 122 C N 3.681 122.587 119.300 -0.657 0.000 2.210 122 C HA 0.343 4.803 4.460 0.000 0.000 0.377 122 C C 0.276 175.270 174.990 0.007 0.000 1.037 122 C CA -1.162 57.568 59.018 -0.482 0.000 1.405 122 C CB -2.458 24.355 27.740 -1.544 0.000 1.802 122 C HN 0.580 nan 8.230 nan 0.000 0.495 123 Y N 1.547 122.085 120.300 0.398 0.000 2.258 123 Y HA 0.478 5.028 4.550 0.000 0.000 0.345 123 Y C 1.003 177.311 175.900 0.680 0.000 1.303 123 Y CA 0.482 58.938 58.100 0.593 0.000 1.537 123 Y CB 0.545 39.379 38.460 0.623 0.000 1.383 123 Y HN 0.611 nan 8.280 nan 0.000 0.606 124 S N 1.100 117.271 115.700 0.785 0.000 2.606 124 S HA 0.561 5.031 4.470 0.000 0.000 0.290 124 S C -2.210 172.474 174.600 0.140 0.000 1.103 124 S CA -0.835 57.624 58.200 0.432 0.000 0.870 124 S CB 0.566 64.031 63.200 0.441 0.000 1.077 124 S HN 0.932 nan 8.310 nan 0.000 0.448 125 L N 2.012 123.147 121.223 -0.146 0.000 2.565 125 L HA 0.803 5.143 4.340 0.000 0.000 0.261 125 L C -1.097 175.710 176.870 -0.105 0.000 0.932 125 L CA 0.022 54.623 54.840 -0.398 0.000 0.878 125 L CB 2.004 43.256 42.059 -1.344 0.000 1.333 125 L HN 0.646 nan 8.230 nan 0.000 0.409 126 T N 5.010 119.556 114.554 -0.014 0.000 2.795 126 T HA 0.846 5.196 4.350 0.000 0.000 0.282 126 T C -0.896 173.923 174.700 0.199 0.000 0.980 126 T CA 0.094 62.242 62.100 0.080 0.000 1.012 126 T CB 0.567 69.434 68.868 -0.002 0.000 0.936 126 T HN 0.580 nan 8.240 nan 0.000 0.457 127 F N 0.920 120.792 119.950 -0.130 0.000 2.831 127 F HA 0.693 5.220 4.527 0.000 0.000 0.318 127 F C -0.959 174.784 175.800 -0.095 0.000 1.174 127 F CA -1.660 56.270 58.000 -0.117 0.000 0.918 127 F CB 0.609 39.526 39.000 -0.139 0.000 1.364 127 F HN 0.247 nan 8.300 nan 0.000 0.475 128 N N -0.668 118.058 118.700 0.043 0.000 2.482 128 N HA 0.813 5.553 4.740 0.000 0.000 0.279 128 N C -1.641 173.844 175.510 -0.042 0.000 1.182 128 N CA -0.505 52.497 53.050 -0.079 0.000 0.969 128 N CB 1.956 40.402 38.487 -0.069 0.000 1.201 128 N HN 0.636 nan 8.380 nan 0.000 0.523 129 V N -0.279 119.552 119.914 -0.138 0.000 2.697 129 V HA 0.232 4.352 4.120 0.000 0.000 0.296 129 V C -0.732 175.235 176.094 -0.211 0.000 1.140 129 V CA -1.143 61.049 62.300 -0.181 0.000 0.921 129 V CB 1.427 33.202 31.823 -0.080 0.000 1.036 129 V HN 0.616 nan 8.190 nan 0.000 0.438 130 D N 3.000 123.182 120.400 -0.363 0.000 2.449 130 D HA 0.032 4.672 4.640 0.000 0.000 0.236 130 D C 1.336 177.572 176.300 -0.106 0.000 1.149 130 D CA 0.554 54.403 54.000 -0.252 0.000 0.878 130 D CB 1.390 41.997 40.800 -0.322 0.000 1.198 130 D HN 0.821 nan 8.370 nan 0.000 0.446 131 E N 1.137 121.308 120.200 -0.047 0.000 2.072 131 E HA -0.196 4.154 4.350 0.000 0.000 0.191 131 E C 1.934 178.566 176.600 0.054 0.000 0.985 131 E CA 1.266 57.669 56.400 0.005 0.000 0.801 131 E CB -0.398 29.302 29.700 0.000 0.000 0.750 131 E HN 0.522 nan 8.360 nan 0.000 0.452 132 S N 0.999 116.737 115.700 0.062 0.000 2.380 132 S HA -0.243 4.227 4.470 0.000 0.000 0.229 132 S C 1.640 176.340 174.600 0.166 0.000 1.043 132 S CA 1.236 59.506 58.200 0.117 0.000 1.038 132 S CB -0.924 62.358 63.200 0.136 0.000 0.872 132 S HN 0.442 nan 8.310 nan 0.000 0.456 133 W N 1.891 123.068 121.300 -0.206 0.000 2.421 133 W HA 0.263 4.923 4.660 0.000 0.000 0.270 133 W C 2.025 178.465 176.519 -0.130 0.000 1.233 133 W CA 0.010 57.104 57.345 -0.418 0.000 1.226 133 W CB -0.640 28.555 29.460 -0.443 0.000 1.121 133 W HN 0.338 nan 8.180 nan 0.000 0.579 134 L N -0.833 120.488 121.223 0.164 0.000 2.529 134 L HA 0.041 4.381 4.340 0.000 0.000 0.223 134 L C 2.079 179.015 176.870 0.110 0.000 1.113 134 L CA 0.400 55.322 54.840 0.136 0.000 0.861 134 L CB -0.784 41.332 42.059 0.096 0.000 1.012 134 L HN -0.006 nan 8.230 nan 0.000 0.461 135 Q N 0.875 120.737 119.800 0.103 0.000 1.965 135 Q HA -0.090 4.250 4.340 0.000 0.000 0.200 135 Q C 0.348 176.403 176.000 0.092 0.000 0.981 135 Q CA 1.367 57.221 55.803 0.084 0.000 0.834 135 Q CB 0.284 29.066 28.738 0.073 0.000 0.900 135 Q HN 0.515 nan 8.270 nan 0.000 0.426 136 E N -1.894 118.382 120.200 0.126 0.000 2.450 136 E HA 0.506 4.856 4.350 0.000 0.000 0.248 136 E C -0.057 176.649 176.600 0.177 0.000 0.930 136 E CA -0.356 56.116 56.400 0.119 0.000 0.854 136 E CB 1.015 30.772 29.700 0.094 0.000 1.355 136 E HN 0.291 nan 8.360 nan 0.000 0.402 137 G N 0.430 109.249 108.800 0.030 0.000 2.622 137 G HA2 -0.320 3.641 3.960 0.000 0.000 0.272 137 G HA3 -0.320 3.641 3.960 0.000 0.000 0.272 137 G C -0.550 174.283 174.900 -0.112 0.000 1.308 137 G CA 0.335 45.324 45.100 -0.185 0.000 0.919 137 G HN 0.493 nan 8.290 nan 0.000 0.565 138 Q N -1.054 118.559 119.800 -0.312 0.000 2.394 138 Q HA 0.642 4.982 4.340 0.000 0.000 0.273 138 Q C -1.272 174.676 176.000 -0.086 0.000 1.089 138 Q CA -0.489 55.245 55.803 -0.115 0.000 0.812 138 Q CB 1.917 30.588 28.738 -0.112 0.000 1.353 138 Q HN 0.607 nan 8.270 nan 0.000 0.438 139 T N 4.293 118.917 114.554 0.116 0.000 2.847 139 T HA 0.484 4.834 4.350 0.000 0.000 0.291 139 T C -0.908 173.900 174.700 0.179 0.000 0.998 139 T CA -0.676 61.541 62.100 0.194 0.000 0.967 139 T CB 0.551 69.629 68.868 0.351 0.000 0.954 139 T HN 0.599 nan 8.240 nan 0.000 0.441 140 R N 2.864 123.449 120.500 0.143 0.000 2.832 140 R HA 0.756 5.096 4.340 0.000 0.000 0.271 140 R C -0.926 175.473 176.300 0.164 0.000 0.996 140 R CA -1.051 55.147 56.100 0.163 0.000 0.977 140 R CB 1.704 32.083 30.300 0.131 0.000 1.168 140 R HN 0.420 nan 8.270 nan 0.000 0.482 141 I N 2.807 123.494 120.570 0.194 0.000 2.412 141 I HA 0.387 4.557 4.170 0.000 0.000 0.296 141 I C -0.745 175.452 176.117 0.133 0.000 0.987 141 I CA -1.238 60.134 61.300 0.121 0.000 1.180 141 I CB 1.426 39.496 38.000 0.115 0.000 1.340 141 I HN 0.602 nan 8.210 nan 0.000 0.455 142 I N 6.892 127.433 120.570 -0.047 0.000 2.418 142 I HA 0.283 4.453 4.170 0.000 0.000 0.287 142 I C -1.196 174.789 176.117 -0.219 0.000 1.008 142 I CA -0.543 60.743 61.300 -0.023 0.000 1.104 142 I CB 1.386 39.378 38.000 -0.014 0.000 1.264 142 I HN 0.347 nan 8.210 nan 0.000 0.438 143 F N 4.373 124.333 119.950 0.016 0.000 2.308 143 F HA 0.273 4.800 4.527 0.000 0.000 0.370 143 F C 1.293 177.001 175.800 -0.153 0.000 1.100 143 F CA -0.470 57.479 58.000 -0.084 0.000 1.108 143 F CB 0.671 39.625 39.000 -0.075 0.000 1.293 143 F HN 0.449 nan 8.300 nan 0.000 0.478 144 D N 2.274 122.608 120.400 -0.110 0.000 2.311 144 D HA 0.026 4.666 4.640 0.000 0.000 0.212 144 D C 1.029 177.165 176.300 -0.272 0.000 0.972 144 D CA 1.001 54.890 54.000 -0.185 0.000 0.887 144 D CB 0.277 40.926 40.800 -0.250 0.000 0.915 144 D HN 0.637 nan 8.370 nan 0.000 0.497 145 G N -0.878 107.690 108.800 -0.388 0.000 2.405 145 G HA2 0.389 4.349 3.960 0.000 0.000 0.312 145 G HA3 0.389 4.349 3.960 0.000 0.000 0.312 145 G C -1.606 172.876 174.900 -0.697 0.000 1.579 145 G CA -0.613 44.106 45.100 -0.634 0.000 0.933 145 G HN -0.051 nan 8.290 nan 0.000 0.628 146 V N 2.553 122.316 119.914 -0.252 0.000 2.488 146 V HA 0.453 4.573 4.120 0.000 0.000 0.293 146 V C -0.534 175.647 176.094 0.146 0.000 1.027 146 V CA -1.288 60.931 62.300 -0.136 0.000 0.862 146 V CB 1.662 33.194 31.823 -0.486 0.000 1.008 146 V HN 0.730 nan 8.190 nan 0.000 0.428 147 N N 2.721 121.584 118.700 0.273 0.000 2.419 147 N HA 0.280 5.020 4.740 0.000 0.000 0.264 147 N C 0.861 176.361 175.510 -0.017 0.000 1.031 147 N CA 0.419 53.532 53.050 0.106 0.000 0.951 147 N CB 2.062 40.498 38.487 -0.085 0.000 1.101 147 N HN 0.732 nan 8.380 nan 0.000 0.488 148 S N 2.136 117.855 115.700 0.032 0.000 2.564 148 S HA 0.479 4.949 4.470 0.000 0.000 0.231 148 S C 0.508 175.191 174.600 0.138 0.000 1.067 148 S CA -0.067 58.195 58.200 0.104 0.000 0.908 148 S CB 0.325 63.607 63.200 0.136 0.000 0.809 148 S HN 0.606 nan 8.310 nan 0.000 0.491 149 A N 1.032 123.936 122.820 0.141 0.000 2.479 149 A HA 0.891 5.211 4.320 0.000 0.000 0.296 149 A C -1.090 176.602 177.584 0.180 0.000 1.121 149 A CA -0.973 51.114 52.037 0.083 0.000 0.743 149 A CB 1.183 20.265 19.000 0.137 0.000 1.323 149 A HN 1.099 nan 8.150 nan 0.000 0.415 150 F N -1.327 118.391 119.950 -0.386 0.000 2.744 150 F HA 0.666 5.193 4.527 0.000 0.000 0.311 150 F C -1.308 174.358 175.800 -0.223 0.000 1.144 150 F CA -0.835 57.036 58.000 -0.215 0.000 0.938 150 F CB 0.788 39.684 39.000 -0.173 0.000 1.292 150 F HN 0.632 nan 8.300 nan 0.000 0.444 151 H N 1.171 120.427 119.070 0.311 0.000 2.595 151 H HA 0.866 5.422 4.556 0.000 0.000 0.346 151 H C -1.421 173.898 175.328 -0.016 0.000 1.181 151 H CA -0.834 55.303 56.048 0.147 0.000 1.242 151 H CB 2.286 32.240 29.762 0.320 0.000 1.652 151 H HN 0.844 nan 8.280 nan 0.000 0.548 152 L N 1.015 121.988 121.223 -0.417 0.000 2.482 152 L HA 0.366 4.706 4.340 0.000 0.000 0.263 152 L C -1.897 174.587 176.870 -0.644 0.000 0.957 152 L CA -0.439 54.192 54.840 -0.349 0.000 0.836 152 L CB 1.694 43.457 42.059 -0.495 0.000 1.324 152 L HN 0.510 nan 8.230 nan 0.000 0.406 153 W N 4.006 125.191 121.300 -0.191 0.000 2.936 153 W HA 0.610 5.270 4.660 0.000 0.000 0.338 153 W C -1.209 175.204 176.519 -0.177 0.000 1.121 153 W CA -0.820 56.408 57.345 -0.195 0.000 1.209 153 W CB 2.104 31.481 29.460 -0.138 0.000 1.420 153 W HN 0.575 nan 8.180 nan 0.000 0.516 154 C N 4.793 124.125 119.300 0.054 0.000 2.381 154 C HA 0.297 4.757 4.460 0.000 0.000 0.328 154 C C 0.108 175.176 174.990 0.129 0.000 1.190 154 C CA -0.366 58.677 59.018 0.042 0.000 1.369 154 C CB -0.833 26.869 27.740 -0.065 0.000 2.029 154 C HN 0.771 nan 8.230 nan 0.000 0.448 155 N N 3.944 122.689 118.700 0.075 0.000 2.696 155 N HA -0.184 4.556 4.740 0.000 0.000 0.256 155 N C 1.025 176.589 175.510 0.089 0.000 1.031 155 N CA 1.857 54.939 53.050 0.053 0.000 0.730 155 N CB -1.177 37.349 38.487 0.065 0.000 0.894 155 N HN 1.732 nan 8.380 nan 0.000 0.544 156 G N -1.041 107.799 108.800 0.066 0.000 2.284 156 G HA2 -0.393 3.567 3.960 0.000 0.000 0.261 156 G HA3 -0.393 3.567 3.960 0.000 0.000 0.261 156 G C 0.262 175.336 174.900 0.288 0.000 0.997 156 G CA 0.782 45.930 45.100 0.080 0.000 0.621 156 G HN 0.584 nan 8.290 nan 0.000 0.534 157 R N -0.698 120.020 120.500 0.364 0.000 2.349 157 R HA 0.452 4.792 4.340 0.000 0.000 0.299 157 R C 0.110 176.657 176.300 0.412 0.000 1.027 157 R CA -0.773 55.598 56.100 0.452 0.000 0.958 157 R CB 0.787 31.382 30.300 0.492 0.000 1.047 157 R HN 0.298 nan 8.270 nan 0.000 0.468 158 W N 3.232 124.568 121.300 0.061 0.000 2.158 158 W HA 0.100 4.760 4.660 0.000 0.000 0.339 158 W C -0.013 176.277 176.519 -0.381 0.000 1.294 158 W CA 0.156 57.123 57.345 -0.630 0.000 1.231 158 W CB 0.634 29.801 29.460 -0.488 0.000 1.143 158 W HN 0.302 nan 8.180 nan 0.000 0.571 159 V N 3.718 122.736 119.914 -1.494 0.000 3.159 159 V HA 0.515 4.635 4.120 0.000 0.000 0.234 159 V C 0.763 175.854 176.094 -1.673 0.000 1.313 159 V CA 0.689 62.219 62.300 -1.283 0.000 1.271 159 V CB 0.063 31.198 31.823 -1.146 0.000 1.053 159 V HN 0.857 nan 8.190 nan 0.000 0.476 160 G N -1.413 106.092 108.800 -2.158 0.000 2.494 160 G HA2 0.530 4.490 3.960 0.000 0.000 0.308 160 G HA3 0.530 4.490 3.960 0.000 0.000 0.308 160 G C -2.371 172.128 174.900 -0.669 0.000 1.263 160 G CA -0.135 44.175 45.100 -1.316 0.000 0.840 160 G HN 0.076 nan 8.290 nan 0.000 0.479 161 Y N -0.972 119.118 120.300 -0.350 0.000 2.641 161 Y HA 0.616 5.166 4.550 0.000 0.000 0.333 161 Y C -0.386 175.294 175.900 -0.366 0.000 1.174 161 Y CA 0.045 57.924 58.100 -0.368 0.000 1.057 161 Y CB 1.789 40.257 38.460 0.013 0.000 1.322 161 Y HN 1.450 nan 8.280 nan 0.000 0.457 162 G N 3.340 111.234 108.800 -1.511 0.000 2.720 162 G HA2 0.574 4.534 3.960 0.000 0.000 0.295 162 G HA3 0.574 4.534 3.960 0.000 0.000 0.295 162 G C -2.272 172.166 174.900 -0.770 0.000 1.437 162 G CA -0.890 43.678 45.100 -0.888 0.000 0.886 162 G HN 0.630 nan 8.290 nan 0.000 0.509 163 Q N -0.257 119.371 119.800 -0.286 0.000 2.587 163 Q HA 0.604 4.944 4.340 0.000 0.000 0.293 163 Q C -1.368 174.647 176.000 0.025 0.000 1.083 163 Q CA -0.840 54.920 55.803 -0.072 0.000 0.792 163 Q CB 2.726 31.489 28.738 0.043 0.000 1.484 163 Q HN 0.686 nan 8.270 nan 0.000 0.446 164 D N -0.249 120.202 120.400 0.086 0.000 4.531 164 D HA -0.100 4.540 4.640 0.000 0.000 0.229 164 D C -0.413 175.955 176.300 0.114 0.000 1.248 164 D CA 0.632 54.694 54.000 0.103 0.000 1.039 164 D CB -0.513 40.334 40.800 0.079 0.000 0.609 164 D HN 0.553 nan 8.370 nan 0.000 0.283 165 S N 3.345 119.130 115.700 0.141 0.000 2.474 165 S HA -0.092 4.378 4.470 0.000 0.000 0.235 165 S C 1.588 176.307 174.600 0.198 0.000 0.997 165 S CA 0.589 58.900 58.200 0.184 0.000 0.949 165 S CB 0.229 63.544 63.200 0.191 0.000 0.766 165 S HN 0.482 nan 8.310 nan 0.000 0.517 166 R N 0.276 120.865 120.500 0.147 0.000 2.362 166 R HA 0.448 4.788 4.340 0.000 0.000 0.227 166 R C 0.027 176.392 176.300 0.109 0.000 0.905 166 R CA -0.029 56.159 56.100 0.147 0.000 1.067 166 R CB -0.449 29.965 30.300 0.189 0.000 1.078 166 R HN 0.356 nan 8.270 nan 0.000 0.516 167 L N 1.713 122.977 121.223 0.067 0.000 2.333 167 L HA 0.498 4.838 4.340 0.000 0.000 0.269 167 L C -2.278 174.589 176.870 -0.005 0.000 1.010 167 L CA -2.359 52.498 54.840 0.028 0.000 0.818 167 L CB 2.430 44.502 42.059 0.023 0.000 1.306 167 L HN -0.196 nan 8.230 nan 0.000 0.430 168 P HA 0.138 nan 4.420 nan 0.000 0.271 168 P C -1.057 176.236 177.300 -0.012 0.000 1.216 168 P CA -0.231 62.848 63.100 -0.034 0.000 0.776 168 P CB 1.147 32.793 31.700 -0.090 0.000 0.881 169 S N 1.554 117.295 115.700 0.069 0.000 2.502 169 S HA 0.412 4.883 4.470 0.000 0.000 0.304 169 S C -0.622 173.995 174.600 0.029 0.000 1.097 169 S CA -0.563 57.649 58.200 0.020 0.000 1.045 169 S CB 0.965 64.276 63.200 0.186 0.000 1.019 169 S HN 0.358 nan 8.310 nan 0.000 0.481 170 E N 1.688 121.732 120.200 -0.261 0.000 2.312 170 E HA 0.677 5.027 4.350 0.000 0.000 0.267 170 E C -1.511 174.748 176.600 -0.568 0.000 0.894 170 E CA -0.658 55.643 56.400 -0.165 0.000 0.773 170 E CB 1.768 31.482 29.700 0.023 0.000 1.241 170 E HN 0.407 nan 8.360 nan 0.000 0.432 171 F N 0.250 120.276 119.950 0.126 0.000 2.601 171 F HA 0.238 4.765 4.527 0.000 0.000 0.309 171 F C -0.375 175.469 175.800 0.074 0.000 1.089 171 F CA -1.090 56.949 58.000 0.064 0.000 0.940 171 F CB 1.704 40.713 39.000 0.014 0.000 1.273 171 F HN 0.303 nan 8.300 nan 0.000 0.450 172 D N 2.755 123.304 120.400 0.249 0.000 2.339 172 D HA 0.222 4.862 4.640 0.000 0.000 0.241 172 D C 0.349 176.798 176.300 0.248 0.000 1.183 172 D CA 0.262 54.386 54.000 0.206 0.000 0.859 172 D CB 1.165 42.066 40.800 0.168 0.000 1.067 172 D HN 0.611 nan 8.370 nan 0.000 0.484 173 L N 2.733 124.102 121.223 0.244 0.000 2.567 173 L HA -0.066 4.274 4.340 0.000 0.000 0.225 173 L C 2.275 179.394 176.870 0.415 0.000 1.119 173 L CA 0.009 55.018 54.840 0.282 0.000 0.871 173 L CB 0.075 42.266 42.059 0.221 0.000 1.036 173 L HN 0.335 nan 8.230 nan 0.000 0.459 174 S N 1.087 116.969 115.700 0.304 0.000 2.381 174 S HA -0.326 4.144 4.470 0.000 0.000 0.230 174 S C 1.972 176.681 174.600 0.181 0.000 1.052 174 S CA 1.570 59.907 58.200 0.228 0.000 1.068 174 S CB -0.538 62.759 63.200 0.163 0.000 0.918 174 S HN 0.507 nan 8.310 nan 0.000 0.448 175 A N -0.245 122.670 122.820 0.159 0.000 2.239 175 A HA 0.335 4.655 4.320 0.000 0.000 0.209 175 A C 1.110 178.464 177.584 -0.384 0.000 1.171 175 A CA 0.465 52.406 52.037 -0.160 0.000 0.768 175 A CB -0.607 18.154 19.000 -0.399 0.000 0.790 175 A HN 0.515 nan 8.150 nan 0.000 0.478 176 F N -1.395 118.590 119.950 0.058 0.000 2.784 176 F HA 0.352 4.879 4.527 0.000 0.000 0.323 176 F C 0.484 176.305 175.800 0.034 0.000 1.085 176 F CA -0.747 57.281 58.000 0.047 0.000 1.196 176 F CB -0.012 39.017 39.000 0.050 0.000 1.053 176 F HN -0.091 nan 8.300 nan 0.000 0.578 177 L N 2.567 123.930 121.223 0.233 0.000 2.380 177 L HA 0.343 4.683 4.340 0.000 0.000 0.273 177 L C 0.400 177.303 176.870 0.056 0.000 1.138 177 L CA -0.080 54.837 54.840 0.128 0.000 0.832 177 L CB 0.691 42.842 42.059 0.153 0.000 1.124 177 L HN 0.038 nan 8.230 nan 0.000 0.454 178 R N 1.745 122.243 120.500 -0.004 0.000 2.720 178 R HA 0.653 4.993 4.340 0.000 0.000 0.272 178 R C -0.365 175.906 176.300 -0.049 0.000 0.991 178 R CA -0.843 55.241 56.100 -0.027 0.000 1.010 178 R CB 1.689 31.958 30.300 -0.052 0.000 1.141 178 R HN 0.704 nan 8.270 nan 0.000 0.494 179 A N 0.852 123.648 122.820 -0.040 0.000 2.407 179 A HA 0.523 4.843 4.320 0.000 0.000 0.248 179 A C 0.850 178.385 177.584 -0.082 0.000 1.082 179 A CA 0.762 52.767 52.037 -0.052 0.000 0.785 179 A CB -0.056 18.923 19.000 -0.034 0.000 1.020 179 A HN 0.879 nan 8.150 nan 0.000 0.489 180 G N 0.747 109.486 108.800 -0.102 0.000 2.509 180 G HA2 -0.223 3.737 3.960 0.000 0.000 0.259 180 G HA3 -0.223 3.737 3.960 0.000 0.000 0.259 180 G C 0.118 174.912 174.900 -0.177 0.000 1.169 180 G CA 0.272 45.302 45.100 -0.116 0.000 0.953 180 G HN 1.078 nan 8.290 nan 0.000 0.563 181 E N 1.782 121.888 120.200 -0.158 0.000 2.606 181 E HA 0.122 4.472 4.350 0.000 0.000 0.248 181 E C -0.025 176.405 176.600 -0.282 0.000 1.005 181 E CA 0.275 56.556 56.400 -0.198 0.000 0.946 181 E CB -0.116 29.508 29.700 -0.127 0.000 0.928 181 E HN 0.371 nan 8.360 nan 0.000 0.494 182 N N 3.239 121.636 118.700 -0.505 0.000 2.265 182 N HA 0.371 5.111 4.740 0.000 0.000 0.300 182 N C -0.943 174.231 175.510 -0.559 0.000 1.148 182 N CA -0.583 52.084 53.050 -0.638 0.000 0.772 182 N CB 1.946 39.836 38.487 -0.994 0.000 1.434 182 N HN 0.338 nan 8.380 nan 0.000 0.481 183 R N 2.011 122.353 120.500 -0.263 0.000 2.483 183 R HA 0.425 4.765 4.340 0.000 0.000 0.303 183 R C -1.039 175.297 176.300 0.060 0.000 0.987 183 R CA -0.490 55.575 56.100 -0.058 0.000 0.881 183 R CB 1.046 31.302 30.300 -0.073 0.000 1.177 183 R HN 0.499 nan 8.270 nan 0.000 0.451 184 L N 2.509 123.837 121.223 0.176 0.000 2.375 184 L HA 0.642 4.983 4.340 0.000 0.000 0.271 184 L C -0.061 176.850 176.870 0.067 0.000 1.107 184 L CA -0.522 54.406 54.840 0.148 0.000 0.806 184 L CB 1.761 43.898 42.059 0.131 0.000 1.146 184 L HN 0.724 nan 8.230 nan 0.000 0.447 185 A N 3.066 125.941 122.820 0.091 0.000 2.599 185 A HA 0.627 4.947 4.320 0.000 0.000 0.281 185 A C -1.123 176.632 177.584 0.285 0.000 1.137 185 A CA -0.428 51.577 52.037 -0.054 0.000 0.767 185 A CB 0.975 19.545 19.000 -0.717 0.000 1.266 185 A HN 0.330 nan 8.150 nan 0.000 0.420 186 V N 2.258 122.503 119.914 0.550 0.000 2.435 186 V HA 0.618 4.738 4.120 0.000 0.000 0.290 186 V C 0.131 176.745 176.094 0.867 0.000 1.030 186 V CA -0.410 62.270 62.300 0.632 0.000 0.881 186 V CB 1.483 33.593 31.823 0.477 0.000 0.983 186 V HN 0.941 nan 8.190 nan 0.000 0.445 187 M N 5.987 126.075 119.600 0.814 0.000 2.060 187 M HA 0.539 5.019 4.480 0.000 0.000 0.342 187 M C -1.273 175.286 176.300 0.430 0.000 1.031 187 M CA -0.265 55.406 55.300 0.617 0.000 0.981 187 M CB 0.932 33.952 32.600 0.700 0.000 1.376 187 M HN 0.473 nan 8.290 nan 0.000 0.397 188 V N 5.905 126.045 119.914 0.377 0.000 2.583 188 V HA 0.375 4.495 4.120 0.000 0.000 0.287 188 V C 0.166 176.427 176.094 0.277 0.000 1.051 188 V CA -0.581 61.919 62.300 0.333 0.000 1.010 188 V CB 1.001 33.073 31.823 0.416 0.000 0.988 188 V HN 0.739 nan 8.190 nan 0.000 0.478 189 L N 4.108 125.435 121.223 0.175 0.000 2.329 189 L HA 0.615 4.955 4.340 0.000 0.000 0.279 189 L C 1.166 178.046 176.870 0.016 0.000 1.014 189 L CA -0.723 54.151 54.840 0.057 0.000 0.814 189 L CB 1.707 43.696 42.059 -0.118 0.000 1.257 189 L HN 0.577 nan 8.230 nan 0.000 0.424 190 R N 1.823 122.249 120.500 -0.124 0.000 2.062 190 R HA 0.031 4.371 4.340 0.000 0.000 0.229 190 R C -0.346 175.686 176.300 -0.446 0.000 1.128 190 R CA 1.391 57.189 56.100 -0.502 0.000 0.960 190 R CB 0.226 30.036 30.300 -0.818 0.000 0.855 190 R HN 0.621 nan 8.270 nan 0.000 0.432 191 W N 0.194 121.546 121.300 0.087 0.000 2.570 191 W HA 0.340 5.000 4.660 0.000 0.000 0.337 191 W C 0.041 176.661 176.519 0.169 0.000 1.067 191 W CA -0.817 56.587 57.345 0.097 0.000 1.229 191 W CB 1.515 31.032 29.460 0.094 0.000 1.355 191 W HN 0.005 nan 8.180 nan 0.000 0.555 192 S N -1.162 114.826 115.700 0.480 0.000 2.661 192 S HA 0.190 4.660 4.470 0.000 0.000 0.268 192 S C 0.026 174.881 174.600 0.426 0.000 1.162 192 S CA -0.460 58.033 58.200 0.489 0.000 0.817 192 S CB 1.117 64.574 63.200 0.428 0.000 1.141 192 S HN 0.616 nan 8.310 nan 0.000 0.477 193 D N 0.734 121.398 120.400 0.439 0.000 2.178 193 D HA 0.062 4.702 4.640 0.000 0.000 0.201 193 D C 1.878 178.490 176.300 0.519 0.000 0.980 193 D CA 1.240 55.547 54.000 0.513 0.000 0.842 193 D CB -0.831 40.168 40.800 0.332 0.000 0.948 193 D HN 0.715 nan 8.370 nan 0.000 0.472 194 G N 0.192 109.222 108.800 0.383 0.000 2.462 194 G HA2 -0.282 3.678 3.960 0.000 0.000 0.220 194 G HA3 -0.282 3.678 3.960 0.000 0.000 0.220 194 G C 1.668 176.746 174.900 0.297 0.000 1.121 194 G CA 0.873 46.165 45.100 0.320 0.000 0.758 194 G HN 0.325 nan 8.290 nan 0.000 0.559 195 S N -0.179 115.690 115.700 0.281 0.000 2.442 195 S HA -0.079 4.391 4.470 0.000 0.000 0.236 195 S C 1.787 176.476 174.600 0.148 0.000 1.007 195 S CA 0.625 58.951 58.200 0.211 0.000 0.965 195 S CB -0.351 62.975 63.200 0.209 0.000 0.773 195 S HN 0.542 nan 8.310 nan 0.000 0.504 196 Y N 0.911 121.274 120.300 0.106 0.000 2.583 196 Y HA 0.220 4.770 4.550 0.000 0.000 0.293 196 Y C 1.323 177.270 175.900 0.078 0.000 1.157 196 Y CA 0.460 58.532 58.100 -0.046 0.000 1.315 196 Y CB -0.143 38.154 38.460 -0.273 0.000 1.021 196 Y HN 0.185 nan 8.280 nan 0.000 0.536 197 L N -0.105 121.282 121.223 0.273 0.000 2.872 197 L HA 0.189 4.529 4.340 0.000 0.000 0.245 197 L C 0.069 177.075 176.870 0.228 0.000 1.211 197 L CA 0.378 55.345 54.840 0.212 0.000 1.013 197 L CB 0.095 42.272 42.059 0.196 0.000 1.326 197 L HN 0.185 nan 8.230 nan 0.000 0.525 198 E N -0.927 119.429 120.200 0.260 0.000 3.029 198 E HA 0.003 4.353 4.350 0.000 0.000 0.196 198 E C -0.260 176.461 176.600 0.202 0.000 0.973 198 E CA -0.091 56.447 56.400 0.230 0.000 1.242 198 E CB 0.519 30.346 29.700 0.211 0.000 1.056 198 E HN 0.073 nan 8.360 nan 0.000 0.469 199 D N 1.930 122.427 120.400 0.161 0.000 2.826 199 D HA -0.035 4.605 4.640 0.000 0.000 0.247 199 D C -0.371 175.932 176.300 0.005 0.000 1.238 199 D CA 0.267 54.240 54.000 -0.046 0.000 0.894 199 D CB -0.112 40.394 40.800 -0.490 0.000 1.100 199 D HN 0.066 nan 8.370 nan 0.000 0.453 200 Q N 0.367 120.253 119.800 0.142 0.000 2.314 200 Q HA 0.171 4.511 4.340 0.000 0.000 0.258 200 Q C -0.231 175.869 176.000 0.166 0.000 0.954 200 Q CA -0.386 55.561 55.803 0.240 0.000 0.890 200 Q CB 0.871 29.862 28.738 0.423 0.000 1.210 200 Q HN 0.112 nan 8.270 nan 0.000 0.410 201 D N 3.645 124.148 120.400 0.172 0.000 2.380 201 D HA 0.131 4.771 4.640 0.000 0.000 0.270 201 D C -0.734 175.663 176.300 0.161 0.000 1.363 201 D CA 0.495 54.554 54.000 0.098 0.000 1.057 201 D CB -0.247 40.626 40.800 0.122 0.000 1.096 201 D HN 0.494 nan 8.370 nan 0.000 0.524 202 M N 0.901 120.565 119.600 0.106 0.000 3.231 202 M HA 0.323 4.803 4.480 0.000 0.000 0.282 202 M C -1.460 174.937 176.300 0.162 0.000 1.126 202 M CA -1.173 54.167 55.300 0.065 0.000 0.820 202 M CB 0.892 33.459 32.600 -0.054 0.000 1.624 202 M HN -0.015 nan 8.290 nan 0.000 0.535 203 W N 2.087 123.491 121.300 0.174 0.000 2.251 203 W HA 0.380 5.040 4.660 0.000 0.000 0.327 203 W C 0.133 176.668 176.519 0.026 0.000 1.361 203 W CA -0.265 57.157 57.345 0.128 0.000 1.234 203 W CB 0.492 29.974 29.460 0.038 0.000 1.212 203 W HN 0.274 nan 8.180 nan 0.000 0.557 204 R N 5.147 125.836 120.500 0.315 0.000 2.204 204 R HA 0.388 4.729 4.340 0.000 0.000 0.341 204 R C -0.009 176.323 176.300 0.053 0.000 1.035 204 R CA -0.171 56.032 56.100 0.172 0.000 0.887 204 R CB 0.068 30.513 30.300 0.242 0.000 1.114 204 R HN 0.577 nan 8.270 nan 0.000 0.473 205 M N 0.204 119.742 119.600 -0.104 0.000 2.357 205 M HA 0.529 5.009 4.480 0.000 0.000 0.232 205 M C -0.085 175.936 176.300 -0.466 0.000 0.819 205 M CA -0.719 54.408 55.300 -0.288 0.000 1.630 205 M CB 1.395 33.808 32.600 -0.312 0.000 1.242 205 M HN 0.649 nan 8.290 nan 0.000 0.838 206 S N -1.617 113.696 115.700 -0.644 0.000 2.701 206 S HA 0.705 5.175 4.470 0.000 0.000 0.267 206 S C -0.594 173.561 174.600 -0.742 0.000 1.034 206 S CA -0.468 57.263 58.200 -0.782 0.000 0.867 206 S CB 0.816 63.392 63.200 -1.040 0.000 1.123 206 S HN 1.607 nan 8.310 nan 0.000 0.470 207 G N 0.062 108.589 108.800 -0.455 0.000 2.409 207 G HA2 0.133 4.093 3.960 0.000 0.000 0.421 207 G HA3 0.133 4.093 3.960 0.000 0.000 0.421 207 G C -1.303 173.589 174.900 -0.015 0.000 1.259 207 G CA -0.546 44.568 45.100 0.024 0.000 1.011 207 G HN 1.374 nan 8.290 nan 0.000 0.497 208 I N 2.078 122.492 120.570 -0.261 0.000 2.282 208 I HA 0.319 4.489 4.170 0.000 0.000 0.290 208 I C 1.065 177.060 176.117 -0.204 0.000 1.090 208 I CA -0.242 60.820 61.300 -0.396 0.000 1.231 208 I CB -0.006 37.516 38.000 -0.796 0.000 1.434 208 I HN 0.536 nan 8.210 nan 0.000 0.487 209 F N 4.565 124.368 119.950 -0.244 0.000 2.704 209 F HA 0.443 4.970 4.527 0.000 0.000 0.304 209 F C 0.819 176.544 175.800 -0.125 0.000 1.094 209 F CA -0.578 57.311 58.000 -0.185 0.000 1.275 209 F CB -0.085 38.816 39.000 -0.164 0.000 1.073 209 F HN 0.139 nan 8.300 nan 0.000 0.586 210 R N 1.107 121.176 120.500 -0.719 0.000 2.810 210 R HA 0.266 4.606 4.340 0.000 0.000 0.245 210 R C -0.531 175.607 176.300 -0.270 0.000 1.168 210 R CA -0.956 54.911 56.100 -0.388 0.000 1.096 210 R CB 0.406 30.462 30.300 -0.407 0.000 1.259 210 R HN 0.028 nan 8.270 nan 0.000 0.518 211 D N 0.190 120.484 120.400 -0.176 0.000 2.352 211 D HA 0.161 4.801 4.640 0.000 0.000 0.238 211 D C -0.368 175.800 176.300 -0.220 0.000 1.286 211 D CA 0.031 53.934 54.000 -0.161 0.000 0.923 211 D CB 0.399 41.147 40.800 -0.087 0.000 1.146 211 D HN -0.013 nan 8.370 nan 0.000 0.471 212 V N 0.065 119.855 119.914 -0.207 0.000 2.577 212 V HA 0.590 4.710 4.120 0.000 0.000 0.303 212 V C -0.445 175.539 176.094 -0.183 0.000 1.042 212 V CA -0.530 61.603 62.300 -0.278 0.000 0.872 212 V CB 1.576 33.233 31.823 -0.277 0.000 0.998 212 V HN 0.766 nan 8.190 nan 0.000 0.423 213 S N 4.748 120.314 115.700 -0.224 0.000 2.671 213 S HA 0.816 5.286 4.470 0.000 0.000 0.277 213 S C -1.253 173.302 174.600 -0.075 0.000 1.165 213 S CA -0.962 57.171 58.200 -0.111 0.000 0.822 213 S CB 2.026 65.191 63.200 -0.057 0.000 1.150 213 S HN 0.455 nan 8.310 nan 0.000 0.479 214 L N 1.538 122.781 121.223 0.034 0.000 2.381 214 L HA 0.642 4.982 4.340 0.000 0.000 0.274 214 L C -1.669 175.316 176.870 0.191 0.000 0.988 214 L CA -0.789 54.144 54.840 0.154 0.000 0.824 214 L CB 1.713 43.936 42.059 0.273 0.000 1.263 214 L HN 0.576 nan 8.230 nan 0.000 0.410 215 L N 3.182 124.482 121.223 0.129 0.000 2.376 215 L HA 0.449 4.789 4.340 0.000 0.000 0.275 215 L C -0.842 175.962 176.870 -0.111 0.000 0.987 215 L CA -0.271 54.585 54.840 0.025 0.000 0.828 215 L CB 1.403 43.486 42.059 0.040 0.000 1.249 215 L HN 0.437 nan 8.230 nan 0.000 0.409 216 H N 4.733 123.503 119.070 -0.500 0.000 2.641 216 H HA 0.493 5.049 4.556 0.000 0.000 0.295 216 H C -0.877 174.175 175.328 -0.460 0.000 1.070 216 H CA -0.051 55.547 56.048 -0.751 0.000 1.257 216 H CB 0.515 29.215 29.762 -1.769 0.000 1.393 216 H HN 0.525 nan 8.280 nan 0.000 0.464 217 K N 5.211 125.188 120.400 -0.705 0.000 2.238 217 K HA 0.385 4.705 4.320 0.000 0.000 0.239 217 K C -2.758 173.479 176.600 -0.606 0.000 0.987 217 K CA -2.115 53.854 56.287 -0.530 0.000 0.857 217 K CB 1.648 33.932 32.500 -0.359 0.000 1.154 217 K HN 0.465 nan 8.250 nan 0.000 0.439 218 P HA 0.093 nan 4.420 nan 0.000 0.284 218 P C 0.285 177.455 177.300 -0.217 0.000 1.253 218 P CA -0.189 62.747 63.100 -0.274 0.000 0.800 218 P CB 0.581 32.175 31.700 -0.177 0.000 0.961 219 T N -0.660 113.798 114.554 -0.160 0.000 2.699 219 T HA -0.112 4.238 4.350 0.000 0.000 0.268 219 T C 0.717 175.343 174.700 -0.123 0.000 1.036 219 T CA 1.590 63.618 62.100 -0.120 0.000 1.147 219 T CB -1.014 67.809 68.868 -0.075 0.000 0.862 219 T HN 0.371 nan 8.240 nan 0.000 0.446 220 T N 3.616 118.097 114.554 -0.123 0.000 2.929 220 T HA 0.412 4.762 4.350 0.000 0.000 0.331 220 T C -0.061 174.547 174.700 -0.153 0.000 1.120 220 T CA -0.792 61.225 62.100 -0.138 0.000 0.973 220 T CB 0.678 69.471 68.868 -0.126 0.000 1.036 220 T HN 0.566 nan 8.240 nan 0.000 0.502 221 Q N 2.994 122.686 119.800 -0.181 0.000 2.873 221 Q HA 0.618 4.958 4.340 0.000 0.000 0.297 221 Q C -1.017 174.855 176.000 -0.213 0.000 1.064 221 Q CA -1.135 54.540 55.803 -0.214 0.000 0.816 221 Q CB 1.433 30.010 28.738 -0.269 0.000 1.481 221 Q HN 0.418 nan 8.270 nan 0.000 0.488 222 I N 2.470 122.869 120.570 -0.285 0.000 2.325 222 I HA 0.051 4.221 4.170 0.000 0.000 0.291 222 I C 0.857 176.765 176.117 -0.349 0.000 1.019 222 I CA -0.129 61.013 61.300 -0.263 0.000 1.302 222 I CB 1.527 39.333 38.000 -0.323 0.000 1.401 222 I HN 0.878 nan 8.210 nan 0.000 0.485 223 S N 3.343 118.972 115.700 -0.117 0.000 2.517 223 S HA 0.151 4.621 4.470 0.000 0.000 0.214 223 S C 0.224 174.971 174.600 0.246 0.000 0.991 223 S CA -0.119 58.065 58.200 -0.028 0.000 0.906 223 S CB 0.296 63.483 63.200 -0.022 0.000 0.789 223 S HN 0.757 nan 8.310 nan 0.000 0.513 224 D N -0.554 120.055 120.400 0.348 0.000 2.912 224 D HA 0.391 5.031 4.640 0.000 0.000 0.263 224 D C -2.008 174.600 176.300 0.512 0.000 1.152 224 D CA -0.465 53.832 54.000 0.494 0.000 0.728 224 D CB 1.300 42.233 40.800 0.222 0.000 1.337 224 D HN 0.197 nan 8.370 nan 0.000 0.435 225 F N -0.320 119.724 119.950 0.156 0.000 2.688 225 F HA 0.586 5.113 4.527 0.000 0.000 0.308 225 F C -1.746 174.226 175.800 0.287 0.000 1.117 225 F CA -0.716 57.333 58.000 0.082 0.000 0.976 225 F CB 0.952 40.012 39.000 0.100 0.000 1.291 225 F HN 0.282 nan 8.300 nan 0.000 0.439 226 H N 1.643 120.667 119.070 -0.076 0.000 2.600 226 H HA 0.764 5.320 4.556 0.000 0.000 0.357 226 H C -1.154 174.117 175.328 -0.096 0.000 1.106 226 H CA -1.365 54.584 56.048 -0.165 0.000 1.193 226 H CB 2.810 32.518 29.762 -0.090 0.000 1.594 226 H HN 0.639 nan 8.280 nan 0.000 0.526 227 V N 1.496 121.392 119.914 -0.028 0.000 2.975 227 V HA 0.835 4.956 4.120 0.000 0.000 0.318 227 V C -0.370 175.668 176.094 -0.093 0.000 1.077 227 V CA -0.378 61.889 62.300 -0.055 0.000 1.000 227 V CB 1.735 33.502 31.823 -0.094 0.000 1.066 227 V HN 0.976 nan 8.190 nan 0.000 0.452 228 A N 1.447 124.192 122.820 -0.125 0.000 2.594 228 A HA 0.764 5.084 4.320 0.000 0.000 0.296 228 A C -0.718 176.751 177.584 -0.192 0.000 1.056 228 A CA -0.425 51.533 52.037 -0.132 0.000 0.693 228 A CB 1.860 20.811 19.000 -0.082 0.000 1.278 228 A HN 0.818 nan 8.150 nan 0.000 0.408 229 T N 0.397 114.831 114.554 -0.200 0.000 2.886 229 T HA 0.814 5.164 4.350 0.000 0.000 0.292 229 T C -0.502 174.002 174.700 -0.327 0.000 1.012 229 T CA -0.768 61.139 62.100 -0.322 0.000 0.982 229 T CB 1.597 70.221 68.868 -0.407 0.000 1.018 229 T HN 0.764 nan 8.240 nan 0.000 0.451 230 R N 1.190 121.398 120.500 -0.487 0.000 2.750 230 R HA 0.804 5.144 4.340 0.000 0.000 0.281 230 R C -1.412 174.501 176.300 -0.645 0.000 0.972 230 R CA -0.832 55.052 56.100 -0.361 0.000 0.912 230 R CB 1.694 31.900 30.300 -0.156 0.000 1.187 230 R HN 0.517 nan 8.270 nan 0.000 0.464 231 F N 0.125 120.064 119.950 -0.017 0.000 2.640 231 F HA 0.401 4.928 4.527 0.000 0.000 0.324 231 F C 0.367 176.047 175.800 -0.199 0.000 1.077 231 F CA -1.160 56.781 58.000 -0.099 0.000 0.965 231 F CB 1.059 39.927 39.000 -0.221 0.000 1.351 231 F HN 0.503 nan 8.300 nan 0.000 0.487 232 N N 0.126 118.814 118.700 -0.019 0.000 2.448 232 N HA 0.085 4.825 4.740 0.000 0.000 0.274 232 N C 0.436 175.815 175.510 -0.218 0.000 1.239 232 N CA -0.099 52.897 53.050 -0.090 0.000 0.982 232 N CB 0.277 38.734 38.487 -0.049 0.000 1.199 232 N HN 0.716 nan 8.380 nan 0.000 0.576 233 D N -0.853 119.461 120.400 -0.143 0.000 2.203 233 D HA -0.261 4.379 4.640 0.000 0.000 0.199 233 D C -0.019 176.167 176.300 -0.190 0.000 0.997 233 D CA 1.623 55.534 54.000 -0.148 0.000 0.863 233 D CB -0.546 40.222 40.800 -0.054 0.000 0.928 233 D HN 0.725 nan 8.370 nan 0.000 0.458 234 D N -1.394 118.925 120.400 -0.135 0.000 2.980 234 D HA 0.065 4.705 4.640 0.000 0.000 0.333 234 D C -0.037 176.335 176.300 0.119 0.000 1.356 234 D CA -1.204 52.807 54.000 0.019 0.000 0.847 234 D CB -1.364 39.486 40.800 0.082 0.000 1.122 234 D HN 0.106 nan 8.370 nan 0.000 0.475 235 F N 0.463 120.463 119.950 0.083 0.000 3.112 235 F HA -0.332 4.195 4.527 0.000 0.000 0.280 235 F C 1.888 177.775 175.800 0.145 0.000 0.863 235 F CA 1.111 59.177 58.000 0.111 0.000 0.987 235 F CB -2.328 36.630 39.000 -0.070 0.000 1.153 235 F HN 0.338 nan 8.300 nan 0.000 0.517 236 S N -0.992 114.811 115.700 0.172 0.000 2.528 236 S HA 0.169 4.639 4.470 0.000 0.000 0.219 236 S C 0.661 175.316 174.600 0.091 0.000 0.985 236 S CA -0.060 58.214 58.200 0.123 0.000 0.914 236 S CB 0.404 63.649 63.200 0.074 0.000 0.776 236 S HN 0.333 nan 8.310 nan 0.000 0.526 237 R N 0.494 121.055 120.500 0.102 0.000 2.548 237 R HA 0.764 5.104 4.340 0.000 0.000 0.280 237 R C -1.241 175.083 176.300 0.039 0.000 1.061 237 R CA -0.142 55.983 56.100 0.042 0.000 0.915 237 R CB 1.857 32.159 30.300 0.002 0.000 1.210 237 R HN 0.249 nan 8.270 nan 0.000 0.442 238 A N 1.693 124.491 122.820 -0.036 0.000 2.485 238 A HA 0.842 5.162 4.320 0.000 0.000 0.292 238 A C -1.149 176.356 177.584 -0.130 0.000 1.147 238 A CA -0.686 51.254 52.037 -0.161 0.000 0.750 238 A CB 2.135 21.004 19.000 -0.219 0.000 1.331 238 A HN 0.301 nan 8.150 nan 0.000 0.419 239 V N 0.952 120.757 119.914 -0.182 0.000 2.577 239 V HA 0.450 4.570 4.120 0.000 0.000 0.303 239 V C -0.971 175.062 176.094 -0.102 0.000 1.042 239 V CA -0.421 61.813 62.300 -0.110 0.000 0.872 239 V CB 1.413 33.168 31.823 -0.112 0.000 0.998 239 V HN 0.876 nan 8.190 nan 0.000 0.423 240 L N 4.074 125.274 121.223 -0.038 0.000 2.276 240 L HA 0.637 4.977 4.340 0.000 0.000 0.286 240 L C -0.126 176.698 176.870 -0.077 0.000 1.061 240 L CA 0.453 55.248 54.840 -0.075 0.000 0.807 240 L CB 1.149 43.194 42.059 -0.024 0.000 1.177 240 L HN 0.796 nan 8.230 nan 0.000 0.429 241 E N 3.795 123.943 120.200 -0.087 0.000 2.158 241 E HA 0.736 5.086 4.350 0.000 0.000 0.271 241 E C -1.423 175.156 176.600 -0.035 0.000 0.911 241 E CA -0.728 55.637 56.400 -0.058 0.000 0.767 241 E CB 1.478 31.144 29.700 -0.057 0.000 1.120 241 E HN 0.839 nan 8.360 nan 0.000 0.405 242 A N 4.483 127.293 122.820 -0.017 0.000 2.311 242 A HA 0.353 4.673 4.320 0.000 0.000 0.306 242 A C -0.809 176.783 177.584 0.014 0.000 1.189 242 A CA -0.695 51.358 52.037 0.025 0.000 0.791 242 A CB 0.990 20.017 19.000 0.045 0.000 1.172 242 A HN 0.716 nan 8.150 nan 0.000 0.481 243 E N 2.600 122.818 120.200 0.029 0.000 2.166 243 E HA 0.599 4.949 4.350 0.000 0.000 0.275 243 E C -1.410 175.173 176.600 -0.028 0.000 0.941 243 E CA -0.511 55.868 56.400 -0.035 0.000 0.784 243 E CB 1.474 31.128 29.700 -0.076 0.000 1.115 243 E HN 0.350 nan 8.360 nan 0.000 0.399 244 V N 4.076 123.961 119.914 -0.048 0.000 2.604 244 V HA 0.328 4.448 4.120 0.000 0.000 0.305 244 V C -0.287 175.844 176.094 0.062 0.000 1.043 244 V CA -0.848 61.462 62.300 0.016 0.000 0.888 244 V CB 1.562 33.382 31.823 -0.005 0.000 0.995 244 V HN 0.784 nan 8.190 nan 0.000 0.429 245 Q N 3.637 123.496 119.800 0.098 0.000 2.297 245 Q HA 0.913 5.253 4.340 0.000 0.000 0.269 245 Q C -0.807 175.277 176.000 0.141 0.000 1.051 245 Q CA -0.929 54.948 55.803 0.123 0.000 0.869 245 Q CB 2.652 31.397 28.738 0.011 0.000 1.346 245 Q HN 0.840 nan 8.270 nan 0.000 0.457 246 M N -1.371 118.255 119.600 0.043 0.000 2.470 246 M HA 0.656 5.136 4.480 0.000 0.000 0.285 246 M C -1.760 174.444 176.300 -0.159 0.000 1.213 246 M CA -0.542 54.693 55.300 -0.108 0.000 0.901 246 M CB 1.937 34.341 32.600 -0.326 0.000 1.718 246 M HN 0.584 nan 8.290 nan 0.000 0.469 247 C N 1.765 120.968 119.300 -0.163 0.000 2.529 247 C HA 1.029 5.489 4.460 0.000 0.000 0.329 247 C C 0.862 175.756 174.990 -0.162 0.000 1.194 247 C CA 1.050 59.985 59.018 -0.139 0.000 1.779 247 C CB 1.046 28.721 27.740 -0.109 0.000 2.322 247 C HN 1.488 nan 8.230 nan 0.000 0.500 248 G N 2.841 111.561 108.800 -0.133 0.000 2.451 248 G HA2 -0.080 3.880 3.960 0.000 0.000 0.208 248 G HA3 -0.080 3.880 3.960 0.000 0.000 0.208 248 G C -0.940 173.876 174.900 -0.140 0.000 1.248 248 G CA -0.604 44.419 45.100 -0.128 0.000 0.989 248 G HN 0.792 nan 8.290 nan 0.000 0.559 249 E N 0.580 120.700 120.200 -0.133 0.000 2.089 249 E HA 0.428 4.778 4.350 0.000 0.000 0.284 249 E C 0.386 176.869 176.600 -0.195 0.000 1.023 249 E CA -0.405 55.917 56.400 -0.129 0.000 0.819 249 E CB 1.093 30.750 29.700 -0.072 0.000 1.076 249 E HN 0.429 nan 8.360 nan 0.000 0.396 250 L N 4.437 125.535 121.223 -0.208 0.000 2.455 250 L HA 0.154 4.494 4.340 0.000 0.000 0.272 250 L C 0.096 176.828 176.870 -0.229 0.000 1.174 250 L CA 0.607 55.291 54.840 -0.258 0.000 0.869 250 L CB 0.142 42.080 42.059 -0.203 0.000 1.130 250 L HN 0.472 nan 8.230 nan 0.000 0.474 251 R N 3.533 123.837 120.500 -0.327 0.000 2.745 251 R HA 0.025 4.365 4.340 0.000 0.000 0.290 251 R C 0.449 176.477 176.300 -0.453 0.000 1.260 251 R CA -0.450 55.432 56.100 -0.364 0.000 1.045 251 R CB 1.165 31.094 30.300 -0.618 0.000 1.257 251 R HN 0.861 nan 8.270 nan 0.000 0.400 252 D N 2.832 123.148 120.400 -0.140 0.000 3.305 252 D HA -0.303 4.337 4.640 0.000 0.000 0.191 252 D C 0.838 177.120 176.300 -0.029 0.000 1.175 252 D CA 2.378 56.357 54.000 -0.034 0.000 0.927 252 D CB -0.052 40.786 40.800 0.063 0.000 0.871 252 D HN 0.741 nan 8.370 nan 0.000 0.498 253 Y N -0.157 120.132 120.300 -0.018 0.000 2.490 253 Y HA 0.433 4.983 4.550 0.000 0.000 0.281 253 Y C 1.079 176.949 175.900 -0.049 0.000 1.174 253 Y CA -0.813 57.269 58.100 -0.031 0.000 1.295 253 Y CB -0.512 37.930 38.460 -0.029 0.000 1.062 253 Y HN -0.132 nan 8.280 nan 0.000 0.522 254 L N 2.188 123.149 121.223 -0.436 0.000 2.417 254 L HA 0.378 4.718 4.340 0.000 0.000 0.268 254 L C -0.007 176.803 176.870 -0.100 0.000 1.158 254 L CA -0.163 54.525 54.840 -0.253 0.000 0.819 254 L CB 0.612 42.527 42.059 -0.240 0.000 1.112 254 L HN 0.128 nan 8.230 nan 0.000 0.458 255 R N 1.258 121.654 120.500 -0.173 0.000 2.836 255 R HA 0.761 5.101 4.340 0.000 0.000 0.269 255 R C -1.657 174.589 176.300 -0.090 0.000 1.010 255 R CA -0.738 55.224 56.100 -0.230 0.000 0.930 255 R CB 2.255 32.241 30.300 -0.523 0.000 1.218 255 R HN 0.251 nan 8.270 nan 0.000 0.473 256 V N 0.735 120.644 119.914 -0.008 0.000 2.686 256 V HA 0.602 4.722 4.120 0.000 0.000 0.306 256 V C -0.914 175.257 176.094 0.128 0.000 1.065 256 V CA -0.487 61.857 62.300 0.072 0.000 0.894 256 V CB 2.511 34.246 31.823 -0.148 0.000 1.004 256 V HN 0.814 nan 8.190 nan 0.000 0.424 257 T N 3.957 118.590 114.554 0.131 0.000 2.863 257 T HA 0.703 5.053 4.350 0.000 0.000 0.285 257 T C -0.883 173.801 174.700 -0.027 0.000 1.009 257 T CA -0.532 61.583 62.100 0.024 0.000 0.989 257 T CB 1.940 70.763 68.868 -0.075 0.000 1.004 257 T HN 0.334 nan 8.240 nan 0.000 0.455 258 V N 3.197 123.086 119.914 -0.040 0.000 2.447 258 V HA 0.522 4.642 4.120 0.000 0.000 0.292 258 V C -0.372 175.684 176.094 -0.064 0.000 1.021 258 V CA -0.804 61.473 62.300 -0.037 0.000 0.850 258 V CB 1.650 33.456 31.823 -0.030 0.000 1.005 258 V HN 1.080 nan 8.190 nan 0.000 0.426 259 S N 5.456 121.123 115.700 -0.055 0.000 2.537 259 S HA 0.847 5.317 4.470 0.000 0.000 0.301 259 S C -0.905 173.598 174.600 -0.161 0.000 1.092 259 S CA -0.781 57.311 58.200 -0.180 0.000 1.048 259 S CB 2.456 65.518 63.200 -0.230 0.000 1.053 259 S HN 0.446 nan 8.310 nan 0.000 0.501 260 L N 2.315 123.356 121.223 -0.304 0.000 2.342 260 L HA 0.590 4.930 4.340 0.000 0.000 0.276 260 L C -1.842 174.897 176.870 -0.218 0.000 0.997 260 L CA -0.476 54.278 54.840 -0.143 0.000 0.838 260 L CB 0.333 42.316 42.059 -0.127 0.000 1.224 260 L HN 0.839 nan 8.230 nan 0.000 0.416 261 W N 4.012 125.387 121.300 0.126 0.000 2.469 261 W HA 0.583 5.243 4.660 0.000 0.000 0.320 261 W C -0.061 176.606 176.519 0.247 0.000 1.086 261 W CA -0.469 56.958 57.345 0.136 0.000 1.211 261 W CB 1.304 30.803 29.460 0.066 0.000 1.298 261 W HN 0.413 nan 8.180 nan 0.000 0.525 262 Q N 3.376 123.446 119.800 0.449 0.000 2.464 262 Q HA 0.477 4.817 4.340 0.000 0.000 0.256 262 Q C 0.604 176.705 176.000 0.169 0.000 1.020 262 Q CA 0.467 56.430 55.803 0.267 0.000 0.716 262 Q CB 0.613 29.484 28.738 0.223 0.000 1.230 262 Q HN 0.794 nan 8.270 nan 0.000 0.494 263 G N 3.022 111.893 108.800 0.119 0.000 2.536 263 G HA2 -0.330 3.630 3.960 0.000 0.000 0.277 263 G HA3 -0.330 3.630 3.960 0.000 0.000 0.277 263 G C 0.301 175.256 174.900 0.092 0.000 1.155 263 G CA 0.290 45.430 45.100 0.066 0.000 0.960 263 G HN 0.605 nan 8.290 nan 0.000 0.544 264 E N 1.003 121.260 120.200 0.096 0.000 2.501 264 E HA 0.266 4.616 4.350 0.000 0.000 0.200 264 E C -0.085 176.680 176.600 0.275 0.000 1.016 264 E CA 0.273 56.725 56.400 0.086 0.000 0.921 264 E CB 0.369 30.076 29.700 0.012 0.000 1.034 264 E HN 0.355 nan 8.360 nan 0.000 0.468 265 T N 1.022 115.770 114.554 0.323 0.000 2.767 265 T HA 0.144 4.494 4.350 0.000 0.000 0.288 265 T C -0.215 174.678 174.700 0.321 0.000 0.963 265 T CA -0.314 61.968 62.100 0.303 0.000 1.019 265 T CB 1.612 70.576 68.868 0.159 0.000 0.923 265 T HN 0.050 nan 8.240 nan 0.000 0.468 266 Q N 2.969 122.787 119.800 0.030 0.000 2.307 266 Q HA 0.274 4.614 4.340 0.000 0.000 0.259 266 Q C 0.456 176.284 176.000 -0.287 0.000 0.998 266 Q CA -0.234 55.209 55.803 -0.599 0.000 0.923 266 Q CB 0.770 28.875 28.738 -1.054 0.000 1.196 266 Q HN 0.536 nan 8.270 nan 0.000 0.416 267 V N 3.023 122.789 119.914 -0.247 0.000 2.992 267 V HA 0.328 4.448 4.120 0.000 0.000 0.250 267 V C -0.046 175.941 176.094 -0.179 0.000 1.090 267 V CA 1.286 63.504 62.300 -0.137 0.000 1.101 267 V CB 0.560 32.362 31.823 -0.036 0.000 0.743 267 V HN 0.827 nan 8.190 nan 0.000 0.468 268 A N -1.644 121.029 122.820 -0.246 0.000 2.583 268 A HA 0.710 5.030 4.320 0.000 0.000 0.292 268 A C -0.795 176.644 177.584 -0.241 0.000 1.045 268 A CA 0.015 51.929 52.037 -0.204 0.000 0.672 268 A CB 1.543 20.447 19.000 -0.160 0.000 1.283 268 A HN 0.018 nan 8.150 nan 0.000 0.419 269 S N -1.222 114.370 115.700 -0.181 0.000 2.570 269 S HA 0.867 5.337 4.470 0.000 0.000 0.270 269 S C -0.572 173.965 174.600 -0.104 0.000 1.149 269 S CA 0.141 58.246 58.200 -0.159 0.000 0.837 269 S CB 1.952 65.048 63.200 -0.172 0.000 1.124 269 S HN 2.309 nan 8.310 nan 0.000 0.465 270 G N 1.599 110.350 108.800 -0.082 0.000 2.753 270 G HA2 0.566 4.526 3.960 0.000 0.000 0.295 270 G HA3 0.566 4.526 3.960 0.000 0.000 0.295 270 G C -1.321 173.554 174.900 -0.041 0.000 1.437 270 G CA -0.380 44.684 45.100 -0.060 0.000 1.094 270 G HN 0.650 nan 8.290 nan 0.000 0.540 271 T N 0.243 114.782 114.554 -0.026 0.000 2.885 271 T HA 0.893 5.243 4.350 0.000 0.000 0.285 271 T C 0.005 174.688 174.700 -0.028 0.000 1.019 271 T CA -0.079 62.023 62.100 0.003 0.000 1.010 271 T CB 1.913 70.814 68.868 0.056 0.000 1.022 271 T HN 1.540 nan 8.240 nan 0.000 0.466 272 A N 3.057 125.847 122.820 -0.049 0.000 2.599 272 A HA 0.919 5.239 4.320 0.000 0.000 0.290 272 A C -3.159 174.348 177.584 -0.128 0.000 1.101 272 A CA -1.506 50.477 52.037 -0.091 0.000 0.674 272 A CB 1.276 20.202 19.000 -0.124 0.000 1.277 272 A HN 0.556 nan 8.150 nan 0.000 0.419 273 P HA 0.704 nan 4.420 nan 0.000 0.288 273 P C -0.635 176.589 177.300 -0.127 0.000 1.297 273 P CA -0.599 62.456 63.100 -0.075 0.000 0.864 273 P CB 0.503 32.194 31.700 -0.016 0.000 1.237 274 F N 0.089 120.002 119.950 -0.062 0.000 2.456 274 F HA 0.447 4.974 4.527 0.000 0.000 0.306 274 F C 1.498 177.283 175.800 -0.025 0.000 1.278 274 F CA 1.645 59.617 58.000 -0.045 0.000 1.264 274 F CB -0.368 38.597 39.000 -0.059 0.000 1.253 274 F HN 0.586 nan 8.300 nan 0.000 0.554 275 G N 0.606 109.539 108.800 0.221 0.000 3.409 275 G HA2 0.276 4.236 3.960 0.000 0.000 0.686 275 G HA3 0.276 4.236 3.960 0.000 0.000 0.686 275 G C -0.256 174.686 174.900 0.069 0.000 1.017 275 G CA -0.719 44.456 45.100 0.125 0.000 0.854 275 G HN 1.068 nan 8.290 nan 0.000 0.508 276 G N 0.871 109.731 108.800 0.100 0.000 2.508 276 G HA2 0.733 4.693 3.960 0.000 0.000 0.278 276 G HA3 0.733 4.693 3.960 0.000 0.000 0.278 276 G C 0.215 175.145 174.900 0.050 0.000 1.389 276 G CA -0.021 45.128 45.100 0.081 0.000 1.050 276 G HN 1.056 nan 8.290 nan 0.000 0.522 277 E N -1.072 119.155 120.200 0.046 0.000 2.250 277 E HA 0.461 4.811 4.350 0.000 0.000 0.269 277 E C -0.532 176.082 176.600 0.024 0.000 1.018 277 E CA -0.845 55.569 56.400 0.024 0.000 0.873 277 E CB 1.809 31.516 29.700 0.013 0.000 1.134 277 E HN 0.281 nan 8.360 nan 0.000 0.403 278 I N 2.161 122.734 120.570 0.006 0.000 2.826 278 I HA -0.162 4.008 4.170 0.000 0.000 0.295 278 I C 1.163 177.282 176.117 0.003 0.000 1.213 278 I CA 0.827 62.124 61.300 -0.005 0.000 1.436 278 I CB 0.226 38.220 38.000 -0.010 0.000 1.348 278 I HN 0.679 nan 8.210 nan 0.000 0.570 279 I N 2.505 123.071 120.570 -0.006 0.000 4.244 279 I HA 0.260 4.430 4.170 0.000 0.000 0.318 279 I C -0.208 175.905 176.117 -0.006 0.000 1.282 279 I CA 0.155 61.461 61.300 0.010 0.000 1.276 279 I CB 0.504 38.536 38.000 0.052 0.000 1.183 279 I HN 0.662 nan 8.210 nan 0.000 0.431 280 D N -0.001 120.383 120.400 -0.028 0.000 3.009 280 D HA 0.197 4.837 4.640 0.000 0.000 0.318 280 D C 0.437 176.718 176.300 -0.031 0.000 1.273 280 D CA -0.407 53.577 54.000 -0.026 0.000 1.001 280 D CB 0.504 41.289 40.800 -0.025 0.000 1.411 280 D HN -0.132 nan 8.370 nan 0.000 0.577 281 E N -0.871 119.313 120.200 -0.027 0.000 2.209 281 E HA -0.074 4.277 4.350 0.000 0.000 0.196 281 E C 1.533 178.112 176.600 -0.035 0.000 0.993 281 E CA 1.161 57.545 56.400 -0.026 0.000 0.819 281 E CB -0.034 29.653 29.700 -0.020 0.000 0.745 281 E HN 0.257 nan 8.360 nan 0.000 0.477 282 R N -0.436 120.034 120.500 -0.050 0.000 2.300 282 R HA 0.268 4.608 4.340 0.000 0.000 0.199 282 R C 0.855 177.110 176.300 -0.075 0.000 0.920 282 R CA 0.639 56.702 56.100 -0.061 0.000 1.046 282 R CB 0.813 31.072 30.300 -0.068 0.000 0.984 282 R HN 0.194 nan 8.270 nan 0.000 0.493 283 G N -0.241 108.515 108.800 -0.074 0.000 2.341 283 G HA2 -0.066 3.894 3.960 0.000 0.000 0.196 283 G HA3 -0.066 3.894 3.960 0.000 0.000 0.196 283 G C -0.434 174.405 174.900 -0.102 0.000 1.231 283 G CA -0.661 44.395 45.100 -0.075 0.000 1.155 283 G HN 0.406 nan 8.290 nan 0.000 0.529 284 G N -1.870 106.866 108.800 -0.107 0.000 3.211 284 G HA2 0.644 4.604 3.960 0.000 0.000 0.262 284 G HA3 0.644 4.604 3.960 0.000 0.000 0.262 284 G C -1.547 173.233 174.900 -0.200 0.000 1.352 284 G CA -0.773 44.261 45.100 -0.109 0.000 1.004 284 G HN 0.726 nan 8.290 nan 0.000 0.559 285 Y N 0.753 121.064 120.300 0.018 0.000 2.452 285 Y HA 0.432 4.982 4.550 0.000 0.000 0.348 285 Y C 1.357 177.289 175.900 0.053 0.000 0.985 285 Y CA 0.183 58.301 58.100 0.030 0.000 1.214 285 Y CB 1.798 40.279 38.460 0.035 0.000 1.136 285 Y HN 0.524 nan 8.280 nan 0.000 0.523 286 A N 1.802 124.706 122.820 0.140 0.000 2.072 286 A HA -0.085 4.235 4.320 0.000 0.000 0.216 286 A C 0.987 178.676 177.584 0.174 0.000 1.156 286 A CA 1.003 53.111 52.037 0.118 0.000 0.701 286 A CB -0.237 18.785 19.000 0.037 0.000 0.816 286 A HN 0.764 nan 8.150 nan 0.000 0.458 287 D N -0.648 119.858 120.400 0.175 0.000 2.722 287 D HA 0.279 4.919 4.640 0.000 0.000 0.239 287 D C 0.250 176.773 176.300 0.372 0.000 1.249 287 D CA -0.090 53.959 54.000 0.081 0.000 0.830 287 D CB -0.124 40.654 40.800 -0.036 0.000 1.025 287 D HN 0.285 nan 8.370 nan 0.000 0.486 288 R N -0.836 120.006 120.500 0.571 0.000 2.739 288 R HA 0.718 5.058 4.340 0.000 0.000 0.271 288 R C -1.850 174.478 176.300 0.048 0.000 1.010 288 R CA -1.134 55.163 56.100 0.329 0.000 0.897 288 R CB 2.937 33.304 30.300 0.111 0.000 1.236 288 R HN 0.033 nan 8.270 nan 0.000 0.466 289 V N 0.393 120.195 119.914 -0.187 0.000 3.048 289 V HA 0.625 4.745 4.120 0.000 0.000 0.303 289 V C -1.600 174.388 176.094 -0.177 0.000 1.214 289 V CA -0.180 61.947 62.300 -0.288 0.000 0.984 289 V CB 2.700 34.170 31.823 -0.589 0.000 1.054 289 V HN 0.787 nan 8.190 nan 0.000 0.430 290 T N 6.748 121.225 114.554 -0.129 0.000 2.879 290 T HA 0.741 5.091 4.350 0.000 0.000 0.290 290 T C -1.036 173.615 174.700 -0.082 0.000 0.993 290 T CA -0.231 61.817 62.100 -0.087 0.000 0.975 290 T CB 1.270 70.104 68.868 -0.056 0.000 0.981 290 T HN 0.537 nan 8.240 nan 0.000 0.439 291 L N 2.856 124.037 121.223 -0.070 0.000 2.319 291 L HA 0.689 5.029 4.340 0.000 0.000 0.267 291 L C 0.186 177.023 176.870 -0.054 0.000 1.011 291 L CA -0.762 54.039 54.840 -0.065 0.000 0.818 291 L CB 1.502 43.520 42.059 -0.067 0.000 1.316 291 L HN 0.458 nan 8.230 nan 0.000 0.432 292 R N 2.306 122.773 120.500 -0.055 0.000 2.467 292 R HA 0.555 4.895 4.340 0.000 0.000 0.299 292 R C -1.480 174.785 176.300 -0.057 0.000 1.120 292 R CA -0.495 55.572 56.100 -0.055 0.000 0.940 292 R CB 0.965 31.233 30.300 -0.053 0.000 1.161 292 R HN 0.430 nan 8.270 nan 0.000 0.506 293 L N 2.115 123.304 121.223 -0.058 0.000 2.350 293 L HA 0.364 4.704 4.340 0.000 0.000 0.275 293 L C 0.248 177.080 176.870 -0.064 0.000 1.099 293 L CA -0.639 54.163 54.840 -0.064 0.000 0.808 293 L CB 0.852 42.871 42.059 -0.067 0.000 1.149 293 L HN 0.444 nan 8.230 nan 0.000 0.442 294 N N 2.078 120.733 118.700 -0.075 0.000 2.444 294 N HA 0.341 5.081 4.740 0.000 0.000 0.262 294 N C -1.115 174.334 175.510 -0.102 0.000 0.974 294 N CA -0.252 52.751 53.050 -0.078 0.000 0.933 294 N CB 2.346 40.792 38.487 -0.068 0.000 1.137 294 N HN 0.185 nan 8.380 nan 0.000 0.498 295 V N 1.774 121.612 119.914 -0.126 0.000 2.398 295 V HA 0.315 4.435 4.120 0.000 0.000 0.286 295 V C 0.415 176.419 176.094 -0.150 0.000 1.026 295 V CA -0.766 61.416 62.300 -0.196 0.000 0.868 295 V CB 2.004 33.592 31.823 -0.392 0.000 0.982 295 V HN 0.483 nan 8.190 nan 0.000 0.443 296 E N 3.499 123.632 120.200 -0.112 0.000 2.216 296 E HA 0.307 4.657 4.350 0.000 0.000 0.279 296 E C -0.312 176.259 176.600 -0.049 0.000 0.997 296 E CA -0.462 55.901 56.400 -0.062 0.000 0.817 296 E CB 0.753 30.428 29.700 -0.042 0.000 1.096 296 E HN 0.727 nan 8.360 nan 0.000 0.393 297 N N 2.050 120.744 118.700 -0.009 0.000 2.705 297 N HA -0.124 4.616 4.740 0.000 0.000 0.255 297 N C -2.541 172.969 175.510 -0.001 0.000 1.008 297 N CA 0.303 53.363 53.050 0.017 0.000 0.742 297 N CB -1.396 37.101 38.487 0.017 0.000 0.906 297 N HN 0.357 nan 8.380 nan 0.000 0.541 298 P HA 0.030 nan 4.420 nan 0.000 0.271 298 P C 0.130 177.451 177.300 0.034 0.000 1.233 298 P CA 0.334 63.341 63.100 -0.156 0.000 0.795 298 P CB 0.679 32.210 31.700 -0.282 0.000 0.936 299 K N 1.329 121.809 120.400 0.134 0.000 2.354 299 K HA 0.311 4.631 4.320 0.000 0.000 0.257 299 K C -0.153 176.564 176.600 0.194 0.000 1.062 299 K CA -0.452 55.910 56.287 0.124 0.000 0.971 299 K CB 0.023 32.549 32.500 0.042 0.000 1.305 299 K HN 0.380 nan 8.250 nan 0.000 0.449 300 L N 1.552 122.849 121.223 0.123 0.000 2.483 300 L HA 0.169 4.509 4.340 0.000 0.000 0.276 300 L C 0.262 177.179 176.870 0.078 0.000 1.213 300 L CA -0.396 54.517 54.840 0.122 0.000 0.843 300 L CB 0.111 42.109 42.059 -0.100 0.000 1.107 300 L HN 0.510 nan 8.230 nan 0.000 0.487 301 W N 2.792 124.079 121.300 -0.021 0.000 2.438 301 W HA 0.528 5.188 4.660 0.000 0.000 0.324 301 W C -0.110 176.321 176.519 -0.147 0.000 1.119 301 W CA 0.229 57.547 57.345 -0.045 0.000 1.221 301 W CB 1.374 30.862 29.460 0.046 0.000 1.253 301 W HN 0.747 nan 8.180 nan 0.000 0.555 302 S N 2.150 117.214 115.700 -1.059 0.000 2.655 302 S HA 0.594 5.064 4.470 0.000 0.000 0.266 302 S C -0.060 173.745 174.600 -1.327 0.000 1.149 302 S CA -0.392 57.264 58.200 -0.906 0.000 0.818 302 S CB 0.917 63.820 63.200 -0.494 0.000 1.130 302 S HN 0.870 nan 8.310 nan 0.000 0.476 303 A N 0.472 122.760 122.820 -0.887 0.000 1.970 303 A HA 0.087 4.407 4.320 0.000 0.000 0.216 303 A C 1.724 178.989 177.584 -0.532 0.000 1.170 303 A CA 1.295 52.817 52.037 -0.859 0.000 0.645 303 A CB -0.966 17.416 19.000 -1.029 0.000 0.816 303 A HN 0.847 nan 8.150 nan 0.000 0.447 304 E N -0.469 119.517 120.200 -0.357 0.000 2.077 304 E HA -0.043 4.307 4.350 0.000 0.000 0.193 304 E C -0.201 176.213 176.600 -0.309 0.000 0.989 304 E CA 0.832 57.053 56.400 -0.297 0.000 0.800 304 E CB -0.110 29.476 29.700 -0.189 0.000 0.746 304 E HN 0.611 nan 8.360 nan 0.000 0.452 305 I N 1.460 121.809 120.570 -0.367 0.000 2.595 305 I HA 0.158 4.328 4.170 0.000 0.000 0.276 305 I C -2.583 173.240 176.117 -0.490 0.000 1.109 305 I CA -2.126 58.978 61.300 -0.326 0.000 1.084 305 I CB 2.140 40.005 38.000 -0.225 0.000 1.206 305 I HN -0.214 nan 8.210 nan 0.000 0.486 306 P HA 0.086 nan 4.420 nan 0.000 0.231 306 P C -0.498 176.758 177.300 -0.073 0.000 1.756 306 P CA -0.222 62.507 63.100 -0.618 0.000 0.990 306 P CB -0.317 31.254 31.700 -0.215 0.000 1.973 307 N N 1.693 120.373 118.700 -0.034 0.000 2.468 307 N HA 0.137 4.877 4.740 0.000 0.000 0.265 307 N C -0.041 175.648 175.510 0.299 0.000 1.199 307 N CA 0.459 53.562 53.050 0.089 0.000 0.928 307 N CB 0.446 38.954 38.487 0.035 0.000 1.059 307 N HN 0.273 nan 8.380 nan 0.000 0.467 308 L N 2.418 123.708 121.223 0.111 0.000 2.333 308 L HA 0.514 4.854 4.340 0.000 0.000 0.263 308 L C -0.962 175.894 176.870 -0.023 0.000 1.014 308 L CA -0.872 54.052 54.840 0.141 0.000 0.820 308 L CB 1.405 43.551 42.059 0.146 0.000 1.352 308 L HN 0.415 nan 8.230 nan 0.000 0.421 309 Y N 0.113 120.530 120.300 0.196 0.000 2.545 309 Y HA 0.554 5.104 4.550 0.000 0.000 0.348 309 Y C -0.366 175.634 175.900 0.166 0.000 1.002 309 Y CA -0.770 57.450 58.100 0.200 0.000 1.039 309 Y CB 2.209 40.838 38.460 0.283 0.000 1.271 309 Y HN 0.384 nan 8.280 nan 0.000 0.467 310 R N 1.507 122.231 120.500 0.374 0.000 2.338 310 R HA 0.833 5.173 4.340 0.000 0.000 0.317 310 R C -1.334 175.161 176.300 0.326 0.000 0.968 310 R CA -0.402 55.865 56.100 0.278 0.000 0.849 310 R CB 0.898 31.302 30.300 0.173 0.000 1.128 310 R HN 0.776 nan 8.270 nan 0.000 0.448 311 A N 3.645 126.608 122.820 0.237 0.000 2.337 311 A HA 0.656 4.976 4.320 0.000 0.000 0.329 311 A C -1.121 176.568 177.584 0.175 0.000 1.146 311 A CA -0.679 51.480 52.037 0.204 0.000 0.800 311 A CB 1.434 20.530 19.000 0.161 0.000 1.220 311 A HN 0.487 nan 8.150 nan 0.000 0.472 312 V N 1.712 121.722 119.914 0.160 0.000 2.531 312 V HA 0.464 4.584 4.120 0.000 0.000 0.301 312 V C -0.468 175.638 176.094 0.021 0.000 1.034 312 V CA -0.697 61.655 62.300 0.087 0.000 0.865 312 V CB 1.418 33.291 31.823 0.084 0.000 0.995 312 V HN 0.582 nan 8.190 nan 0.000 0.424 313 V N 4.679 124.563 119.914 -0.050 0.000 2.288 313 V HA 0.356 4.476 4.120 0.000 0.000 0.266 313 V C 0.215 176.259 176.094 -0.083 0.000 1.048 313 V CA -0.434 61.800 62.300 -0.110 0.000 0.842 313 V CB 0.459 32.099 31.823 -0.305 0.000 1.064 313 V HN 1.030 nan 8.190 nan 0.000 0.472 314 E N 4.720 124.895 120.200 -0.042 0.000 2.133 314 E HA 0.534 4.884 4.350 0.000 0.000 0.274 314 E C -0.785 175.860 176.600 0.074 0.000 0.930 314 E CA -0.985 55.403 56.400 -0.020 0.000 0.770 314 E CB 2.525 32.178 29.700 -0.079 0.000 1.104 314 E HN 0.446 nan 8.360 nan 0.000 0.403 315 L N 5.345 126.624 121.223 0.093 0.000 2.288 315 L HA 0.221 4.561 4.340 0.000 0.000 0.283 315 L C -0.616 176.388 176.870 0.223 0.000 1.072 315 L CA -0.076 54.858 54.840 0.158 0.000 0.862 315 L CB -0.278 41.816 42.059 0.058 0.000 1.245 315 L HN 0.638 nan 8.230 nan 0.000 0.432 316 H N 1.369 120.457 119.070 0.030 0.000 3.160 316 H HA 0.768 5.324 4.556 0.000 0.000 0.297 316 H C -0.437 174.927 175.328 0.059 0.000 1.605 316 H CA -0.295 55.776 56.048 0.039 0.000 1.418 316 H CB 0.339 30.124 29.762 0.037 0.000 1.846 316 H HN 0.440 nan 8.280 nan 0.000 0.754 317 T N -3.825 110.714 114.554 -0.026 0.000 2.889 317 T HA 0.611 4.961 4.350 0.000 0.000 0.278 317 T C 1.316 175.950 174.700 -0.109 0.000 0.995 317 T CA -0.292 61.790 62.100 -0.031 0.000 0.966 317 T CB 1.146 70.116 68.868 0.170 0.000 1.237 317 T HN 0.756 nan 8.240 nan 0.000 0.591 318 A N 0.718 123.540 122.820 0.003 0.000 1.929 318 A HA 0.001 4.321 4.320 0.000 0.000 0.216 318 A C 1.939 179.561 177.584 0.063 0.000 1.176 318 A CA 1.389 53.433 52.037 0.011 0.000 0.628 318 A CB -1.018 18.004 19.000 0.036 0.000 0.816 318 A HN 0.942 nan 8.150 nan 0.000 0.444 319 D N -1.290 119.150 120.400 0.067 0.000 2.309 319 D HA 0.088 4.728 4.640 0.000 0.000 0.212 319 D C 1.285 177.638 176.300 0.090 0.000 0.968 319 D CA 1.342 55.379 54.000 0.061 0.000 0.882 319 D CB -0.552 40.271 40.800 0.040 0.000 0.918 319 D HN 0.866 nan 8.370 nan 0.000 0.503 320 G N -0.601 108.286 108.800 0.145 0.000 2.205 320 G HA2 -0.207 3.753 3.960 0.000 0.000 0.180 320 G HA3 -0.207 3.753 3.960 0.000 0.000 0.180 320 G C 0.249 175.253 174.900 0.173 0.000 1.004 320 G CA 0.057 45.270 45.100 0.187 0.000 0.670 320 G HN 0.373 nan 8.290 nan 0.000 0.496 321 T N 1.759 116.402 114.554 0.148 0.000 2.817 321 T HA 0.421 4.771 4.350 0.000 0.000 0.295 321 T C 0.483 175.278 174.700 0.158 0.000 0.958 321 T CA 0.095 62.269 62.100 0.124 0.000 1.157 321 T CB 1.644 70.568 68.868 0.093 0.000 0.898 321 T HN 0.380 nan 8.240 nan 0.000 0.536 322 L N 4.699 125.991 121.223 0.116 0.000 2.369 322 L HA 0.265 4.605 4.340 0.000 0.000 0.279 322 L C 0.958 177.879 176.870 0.085 0.000 1.108 322 L CA 0.092 54.996 54.840 0.108 0.000 0.852 322 L CB 0.354 42.451 42.059 0.062 0.000 1.169 322 L HN 0.661 nan 8.230 nan 0.000 0.452 323 I N 2.855 123.476 120.570 0.085 0.000 2.296 323 I HA 0.098 4.268 4.170 0.000 0.000 0.242 323 I C 0.537 176.662 176.117 0.012 0.000 1.087 323 I CA 0.709 62.033 61.300 0.040 0.000 1.393 323 I CB 0.212 38.224 38.000 0.021 0.000 1.093 323 I HN 0.671 nan 8.210 nan 0.000 0.421 324 E N -0.405 119.802 120.200 0.012 0.000 2.380 324 E HA 0.639 4.989 4.350 0.000 0.000 0.281 324 E C -1.791 174.818 176.600 0.015 0.000 0.999 324 E CA -0.790 55.606 56.400 -0.007 0.000 0.800 324 E CB 1.549 31.200 29.700 -0.082 0.000 1.228 324 E HN 0.063 nan 8.360 nan 0.000 0.436 325 A N 3.157 126.021 122.820 0.073 0.000 2.374 325 A HA 0.780 5.100 4.320 0.000 0.000 0.317 325 A C -1.100 176.593 177.584 0.182 0.000 1.094 325 A CA -0.609 51.482 52.037 0.089 0.000 0.765 325 A CB 1.676 20.723 19.000 0.078 0.000 1.268 325 A HN 0.529 nan 8.150 nan 0.000 0.438 326 E N -0.179 120.076 120.200 0.093 0.000 2.308 326 E HA 0.646 4.996 4.350 0.000 0.000 0.275 326 E C -0.605 176.033 176.600 0.064 0.000 0.890 326 E CA -0.493 56.002 56.400 0.158 0.000 0.754 326 E CB 2.376 32.043 29.700 -0.054 0.000 1.207 326 E HN 0.931 nan 8.360 nan 0.000 0.426 327 A N 0.849 123.824 122.820 0.257 0.000 2.507 327 A HA 0.933 5.253 4.320 0.000 0.000 0.284 327 A C -0.895 176.884 177.584 0.324 0.000 1.281 327 A CA -0.306 51.827 52.037 0.160 0.000 0.744 327 A CB 1.358 20.328 19.000 -0.050 0.000 1.332 327 A HN 0.977 nan 8.150 nan 0.000 0.454 328 C N -0.992 118.455 119.300 0.246 0.000 3.224 328 C HA 0.584 5.044 4.460 0.000 0.000 0.348 328 C C -2.011 173.069 174.990 0.150 0.000 1.242 328 C CA -1.012 58.141 59.018 0.225 0.000 1.180 328 C CB 0.453 28.347 27.740 0.256 0.000 1.458 328 C HN 0.862 nan 8.230 nan 0.000 0.485 329 D N 1.213 121.677 120.400 0.107 0.000 2.225 329 D HA 0.587 5.227 4.640 0.000 0.000 0.249 329 D C -0.451 175.884 176.300 0.059 0.000 1.052 329 D CA -0.034 54.029 54.000 0.105 0.000 0.909 329 D CB 2.211 43.071 40.800 0.100 0.000 1.186 329 D HN 0.559 nan 8.370 nan 0.000 0.431 330 V N 0.458 120.441 119.914 0.115 0.000 2.680 330 V HA 0.683 4.803 4.120 0.000 0.000 0.309 330 V C 0.367 176.516 176.094 0.092 0.000 1.052 330 V CA -0.711 61.609 62.300 0.033 0.000 0.908 330 V CB 2.196 34.035 31.823 0.026 0.000 1.001 330 V HN 0.708 nan 8.190 nan 0.000 0.431 331 G N 2.023 110.760 108.800 -0.104 0.000 2.609 331 G HA2 0.598 4.558 3.960 0.000 0.000 0.308 331 G HA3 0.598 4.558 3.960 0.000 0.000 0.308 331 G C -1.053 173.868 174.900 0.036 0.000 1.369 331 G CA -0.466 44.646 45.100 0.021 0.000 0.958 331 G HN 0.442 nan 8.290 nan 0.000 0.499 332 F N 2.484 122.614 119.950 0.301 0.000 2.613 332 F HA 0.338 4.865 4.527 0.000 0.000 0.341 332 F C 1.188 177.211 175.800 0.372 0.000 1.288 332 F CA -0.101 58.127 58.000 0.381 0.000 1.103 332 F CB 0.126 39.388 39.000 0.435 0.000 1.423 332 F HN 0.456 nan 8.300 nan 0.000 0.651 333 R N 0.310 121.031 120.500 0.367 0.000 2.774 333 R HA 0.558 4.898 4.340 0.000 0.000 0.272 333 R C -1.336 175.072 176.300 0.180 0.000 1.000 333 R CA -1.075 55.130 56.100 0.175 0.000 0.906 333 R CB 1.464 31.886 30.300 0.203 0.000 1.227 333 R HN 0.292 nan 8.270 nan 0.000 0.468 334 E N 1.968 122.185 120.200 0.028 0.000 2.186 334 E HA 0.279 4.629 4.350 0.000 0.000 0.255 334 E C -1.193 175.453 176.600 0.076 0.000 0.881 334 E CA -0.819 55.665 56.400 0.140 0.000 0.752 334 E CB 1.681 31.527 29.700 0.243 0.000 1.176 334 E HN 0.478 nan 8.360 nan 0.000 0.421 335 V N 6.039 125.991 119.914 0.064 0.000 2.368 335 V HA 0.400 4.520 4.120 0.000 0.000 0.266 335 V C 0.262 176.379 176.094 0.038 0.000 1.045 335 V CA -0.286 62.028 62.300 0.023 0.000 0.899 335 V CB 0.533 32.349 31.823 -0.012 0.000 1.006 335 V HN 0.576 nan 8.190 nan 0.000 0.470 336 R N 5.451 125.974 120.500 0.039 0.000 2.651 336 R HA 0.591 4.931 4.340 0.000 0.000 0.278 336 R C -1.743 174.575 176.300 0.030 0.000 1.010 336 R CA -0.862 55.266 56.100 0.045 0.000 0.896 336 R CB 1.921 32.267 30.300 0.076 0.000 1.211 336 R HN 0.596 nan 8.270 nan 0.000 0.456 337 I N 3.220 123.806 120.570 0.027 0.000 2.304 337 I HA 0.237 4.407 4.170 0.000 0.000 0.291 337 I C -0.303 175.830 176.117 0.027 0.000 1.018 337 I CA -0.235 61.077 61.300 0.020 0.000 1.260 337 I CB 1.478 39.491 38.000 0.021 0.000 1.390 337 I HN 0.677 nan 8.210 nan 0.000 0.475 338 E N 6.851 127.065 120.200 0.023 0.000 2.246 338 E HA 0.218 4.568 4.350 0.000 0.000 0.266 338 E C -0.355 176.256 176.600 0.019 0.000 0.880 338 E CA -0.654 55.762 56.400 0.026 0.000 0.762 338 E CB 1.067 30.788 29.700 0.035 0.000 1.180 338 E HN 0.522 nan 8.360 nan 0.000 0.416 339 N N 3.513 122.224 118.700 0.018 0.000 2.696 339 N HA -0.224 4.516 4.740 0.000 0.000 0.256 339 N C 0.525 176.040 175.510 0.008 0.000 1.031 339 N CA 1.979 55.037 53.050 0.013 0.000 0.730 339 N CB -1.233 37.261 38.487 0.013 0.000 0.894 339 N HN 1.056 nan 8.380 nan 0.000 0.544 340 G N -1.514 107.290 108.800 0.007 0.000 2.267 340 G HA2 -0.300 3.660 3.960 0.000 0.000 0.257 340 G HA3 -0.300 3.660 3.960 0.000 0.000 0.257 340 G C 0.069 174.963 174.900 -0.010 0.000 0.998 340 G CA 0.739 45.840 45.100 0.000 0.000 0.620 340 G HN 0.549 nan 8.290 nan 0.000 0.529 341 L N -0.136 121.082 121.223 -0.008 0.000 2.333 341 L HA 0.768 5.108 4.340 0.000 0.000 0.269 341 L C -0.136 176.723 176.870 -0.018 0.000 1.010 341 L CA -1.361 53.467 54.840 -0.020 0.000 0.818 341 L CB 1.830 43.879 42.059 -0.017 0.000 1.306 341 L HN 0.073 nan 8.230 nan 0.000 0.430 342 L N 3.223 124.424 121.223 -0.035 0.000 2.260 342 L HA 0.518 4.858 4.340 0.000 0.000 0.289 342 L C -0.811 176.035 176.870 -0.040 0.000 1.057 342 L CA 0.219 55.036 54.840 -0.039 0.000 0.811 342 L CB 0.538 42.557 42.059 -0.066 0.000 1.184 342 L HN 0.356 nan 8.230 nan 0.000 0.429 343 L N 5.373 126.585 121.223 -0.019 0.000 2.333 343 L HA 0.639 4.979 4.340 0.000 0.000 0.269 343 L C -0.915 175.953 176.870 -0.003 0.000 1.010 343 L CA -0.778 54.059 54.840 -0.005 0.000 0.818 343 L CB 1.918 43.993 42.059 0.026 0.000 1.306 343 L HN 0.506 nan 8.230 nan 0.000 0.430 344 L N 2.607 123.843 121.223 0.022 0.000 2.406 344 L HA 0.515 4.855 4.340 0.000 0.000 0.270 344 L C -0.552 176.327 176.870 0.014 0.000 0.982 344 L CA -0.132 54.727 54.840 0.032 0.000 0.843 344 L CB 0.958 43.054 42.059 0.062 0.000 1.225 344 L HN 0.658 nan 8.230 nan 0.000 0.412 345 N N 4.052 122.610 118.700 -0.238 0.000 2.721 345 N HA -0.226 4.514 4.740 0.000 0.000 0.249 345 N C 0.887 176.094 175.510 -0.504 0.000 1.072 345 N CA 1.375 53.970 53.050 -0.759 0.000 0.710 345 N CB -1.233 36.753 38.487 -0.835 0.000 0.993 345 N HN 1.165 nan 8.380 nan 0.000 0.547 346 G N -1.818 106.927 108.800 -0.092 0.000 2.268 346 G HA2 -0.329 3.631 3.960 0.000 0.000 0.240 346 G HA3 -0.329 3.631 3.960 0.000 0.000 0.240 346 G C -0.184 174.746 174.900 0.049 0.000 1.010 346 G CA 0.687 45.831 45.100 0.073 0.000 0.618 346 G HN 0.488 nan 8.290 nan 0.000 0.516 347 K N 1.192 121.611 120.400 0.032 0.000 2.259 347 K HA 0.549 4.869 4.320 0.000 0.000 0.252 347 K C -3.072 173.499 176.600 -0.048 0.000 0.936 347 K CA -2.229 54.030 56.287 -0.047 0.000 0.810 347 K CB 2.636 35.020 32.500 -0.193 0.000 1.143 347 K HN 0.038 nan 8.250 nan 0.000 0.427 348 P HA 0.094 nan 4.420 nan 0.000 0.267 348 P C -0.197 177.056 177.300 -0.078 0.000 1.205 348 P CA 0.042 63.106 63.100 -0.059 0.000 0.765 348 P CB 0.454 32.122 31.700 -0.055 0.000 0.828 349 L N 3.188 124.363 121.223 -0.081 0.000 2.399 349 L HA 0.364 4.704 4.340 0.000 0.000 0.266 349 L C 0.418 177.243 176.870 -0.075 0.000 1.114 349 L CA -0.864 53.926 54.840 -0.082 0.000 0.804 349 L CB 0.764 42.735 42.059 -0.147 0.000 1.146 349 L HN 0.231 nan 8.230 nan 0.000 0.451 350 L N 4.118 125.330 121.223 -0.019 0.000 2.353 350 L HA 0.405 4.745 4.340 0.000 0.000 0.270 350 L C -0.462 176.444 176.870 0.059 0.000 1.003 350 L CA -0.174 54.669 54.840 0.006 0.000 0.862 350 L CB 0.804 42.918 42.059 0.092 0.000 1.221 350 L HN 0.270 nan 8.230 nan 0.000 0.430 351 I N 4.968 125.501 120.570 -0.062 0.000 2.347 351 I HA 0.210 4.380 4.170 0.000 0.000 0.294 351 I C 0.429 176.559 176.117 0.021 0.000 1.090 351 I CA 0.013 61.271 61.300 -0.071 0.000 1.314 351 I CB 0.453 38.293 38.000 -0.267 0.000 1.423 351 I HN 0.531 nan 8.210 nan 0.000 0.503 352 R N 4.721 125.308 120.500 0.146 0.000 2.755 352 R HA 0.522 4.862 4.340 0.000 0.000 0.268 352 R C 0.398 176.804 176.300 0.176 0.000 1.295 352 R CA -0.255 55.956 56.100 0.183 0.000 1.379 352 R CB 1.055 31.311 30.300 -0.075 0.000 1.170 352 R HN 0.777 nan 8.270 nan 0.000 0.584 353 G N -0.019 108.854 108.800 0.122 0.000 2.730 353 G HA2 0.606 4.566 3.960 0.000 0.000 0.289 353 G HA3 0.606 4.566 3.960 0.000 0.000 0.289 353 G C -1.558 173.583 174.900 0.401 0.000 1.341 353 G CA -0.518 44.682 45.100 0.167 0.000 0.932 353 G HN 0.228 nan 8.290 nan 0.000 0.481 354 V N -0.372 119.754 119.914 0.354 0.000 3.040 354 V HA 0.579 4.699 4.120 0.000 0.000 0.312 354 V C -0.784 175.468 176.094 0.262 0.000 1.115 354 V CA -1.224 61.221 62.300 0.242 0.000 0.998 354 V CB 2.123 33.808 31.823 -0.229 0.000 1.042 354 V HN 0.763 nan 8.190 nan 0.000 0.433 355 N N 3.314 122.114 118.700 0.166 0.000 2.483 355 N HA 0.489 5.229 4.740 0.000 0.000 0.269 355 N C -0.787 174.604 175.510 -0.198 0.000 1.209 355 N CA -0.378 52.682 53.050 0.016 0.000 0.969 355 N CB 1.300 39.835 38.487 0.079 0.000 1.173 355 N HN 0.654 nan 8.380 nan 0.000 0.475 356 R N 1.349 121.682 120.500 -0.279 0.000 2.518 356 R HA 0.215 4.556 4.340 0.000 0.000 0.287 356 R C -1.448 174.652 176.300 -0.333 0.000 1.135 356 R CA -0.498 55.441 56.100 -0.269 0.000 0.967 356 R CB 0.658 30.785 30.300 -0.289 0.000 1.212 356 R HN 0.655 nan 8.270 nan 0.000 0.422 357 H N 1.112 120.062 119.070 -0.201 0.000 2.495 357 H HA 0.213 4.769 4.556 0.000 0.000 0.350 357 H C -0.353 174.979 175.328 0.007 0.000 1.202 357 H CA -0.188 55.820 56.048 -0.066 0.000 1.322 357 H CB 1.455 31.234 29.762 0.028 0.000 1.544 357 H HN 0.418 nan 8.280 nan 0.000 0.565 358 E N 1.524 121.910 120.200 0.310 0.000 1.932 358 E HA 0.068 4.419 4.350 0.000 0.000 0.259 358 E C -0.865 175.871 176.600 0.226 0.000 1.099 358 E CA -0.131 56.376 56.400 0.179 0.000 0.970 358 E CB 0.109 29.904 29.700 0.157 0.000 1.143 358 E HN 0.386 nan 8.360 nan 0.000 0.441 359 H N 1.205 120.341 119.070 0.110 0.000 2.524 359 H HA 0.285 4.841 4.556 0.000 0.000 0.353 359 H C -1.235 174.170 175.328 0.127 0.000 1.136 359 H CA -0.584 55.527 56.048 0.105 0.000 1.193 359 H CB 0.971 30.774 29.762 0.069 0.000 1.558 359 H HN 0.306 nan 8.280 nan 0.000 0.515 360 H N 6.183 124.909 119.070 -0.573 0.000 2.934 360 H HA 0.175 4.731 4.556 0.000 0.000 0.340 360 H C -2.284 172.740 175.328 -0.506 0.000 1.008 360 H CA -2.347 53.484 56.048 -0.361 0.000 1.317 360 H CB 2.406 32.092 29.762 -0.127 0.000 1.670 360 H HN 0.531 nan 8.280 nan 0.000 0.516 361 P HA -0.149 nan 4.420 nan 0.000 0.215 361 P C 1.422 178.656 177.300 -0.110 0.000 1.157 361 P CA 1.082 64.052 63.100 -0.216 0.000 0.874 361 P CB 0.836 32.390 31.700 -0.243 0.000 0.790 362 L N -1.434 119.803 121.223 0.023 0.000 2.071 362 L HA -0.010 4.331 4.340 0.000 0.000 0.201 362 L C 2.736 179.575 176.870 -0.050 0.000 1.076 362 L CA 1.219 56.020 54.840 -0.066 0.000 0.755 362 L CB -1.388 40.538 42.059 -0.222 0.000 0.915 362 L HN -0.005 nan 8.230 nan 0.000 0.445 363 H N -0.310 118.802 119.070 0.070 0.000 2.559 363 H HA 0.091 4.647 4.556 0.000 0.000 0.273 363 H C 1.574 176.813 175.328 -0.148 0.000 1.000 363 H CA 0.118 56.072 56.048 -0.157 0.000 1.195 363 H CB 0.027 29.528 29.762 -0.435 0.000 1.368 363 H HN 0.486 nan 8.280 nan 0.000 0.592 364 G N 1.281 110.025 108.800 -0.094 0.000 2.609 364 G HA2 -0.391 3.569 3.960 0.000 0.000 0.288 364 G HA3 -0.391 3.569 3.960 0.000 0.000 0.288 364 G C 0.579 175.362 174.900 -0.194 0.000 1.211 364 G CA 0.361 45.321 45.100 -0.233 0.000 0.963 364 G HN 0.476 nan 8.290 nan 0.000 0.541 365 Q N 0.158 119.872 119.800 -0.144 0.000 2.201 365 Q HA 0.490 4.830 4.340 0.000 0.000 0.217 365 Q C -0.093 175.908 176.000 0.001 0.000 0.860 365 Q CA -0.113 55.627 55.803 -0.105 0.000 0.984 365 Q CB 1.277 29.847 28.738 -0.280 0.000 1.095 365 Q HN 0.329 nan 8.270 nan 0.000 0.477 366 V N 2.118 122.043 119.914 0.019 0.000 2.350 366 V HA 0.244 4.364 4.120 0.000 0.000 0.276 366 V C 0.156 176.263 176.094 0.022 0.000 1.028 366 V CA -0.343 61.986 62.300 0.049 0.000 0.860 366 V CB 0.995 32.802 31.823 -0.028 0.000 0.990 366 V HN 0.354 nan 8.190 nan 0.000 0.453 367 M N 4.350 123.973 119.600 0.039 0.000 2.283 367 M HA 0.531 5.011 4.480 0.000 0.000 0.314 367 M C -0.295 175.949 176.300 -0.093 0.000 1.153 367 M CA -0.271 55.011 55.300 -0.030 0.000 1.084 367 M CB 1.193 33.740 32.600 -0.088 0.000 1.468 367 M HN 0.950 nan 8.290 nan 0.000 0.474 368 D N -2.346 118.005 120.400 -0.080 0.000 2.654 368 D HA 0.217 4.857 4.640 0.000 0.000 0.231 368 D C 0.117 176.409 176.300 -0.014 0.000 1.239 368 D CA -0.688 53.276 54.000 -0.060 0.000 0.790 368 D CB 1.311 42.100 40.800 -0.018 0.000 1.480 368 D HN 0.646 nan 8.370 nan 0.000 0.442 369 E N -0.118 120.088 120.200 0.010 0.000 2.045 369 E HA -0.387 3.963 4.350 0.000 0.000 0.212 369 E C 1.532 178.178 176.600 0.078 0.000 1.039 369 E CA 1.992 58.427 56.400 0.058 0.000 0.860 369 E CB 0.020 29.768 29.700 0.081 0.000 0.776 369 E HN 0.486 nan 8.360 nan 0.000 0.467 370 Q N -0.275 119.572 119.800 0.079 0.000 2.028 370 Q HA -0.268 4.072 4.340 0.000 0.000 0.215 370 Q C 2.338 178.399 176.000 0.103 0.000 1.041 370 Q CA 2.745 58.602 55.803 0.090 0.000 0.897 370 Q CB -1.238 27.556 28.738 0.094 0.000 1.017 370 Q HN 0.473 nan 8.270 nan 0.000 0.418 371 T N 1.096 115.723 114.554 0.123 0.000 2.595 371 T HA -0.192 4.158 4.350 0.000 0.000 0.264 371 T C 2.085 176.868 174.700 0.138 0.000 1.058 371 T CA 1.907 64.094 62.100 0.146 0.000 1.166 371 T CB -0.424 68.556 68.868 0.186 0.000 0.863 371 T HN 0.245 nan 8.240 nan 0.000 0.415 372 M N 0.650 120.333 119.600 0.138 0.000 2.151 372 M HA -0.189 4.291 4.480 0.000 0.000 0.256 372 M C 2.538 178.935 176.300 0.162 0.000 1.072 372 M CA 1.739 57.171 55.300 0.221 0.000 1.090 372 M CB -0.954 31.799 32.600 0.256 0.000 1.294 372 M HN 0.092 nan 8.290 nan 0.000 0.415 373 V N 0.066 120.023 119.914 0.071 0.000 2.324 373 V HA -0.346 3.774 4.120 0.000 0.000 0.250 373 V C 2.302 178.365 176.094 -0.052 0.000 1.060 373 V CA 2.403 64.670 62.300 -0.054 0.000 1.042 373 V CB -1.005 30.807 31.823 -0.018 0.000 0.650 373 V HN 0.590 nan 8.190 nan 0.000 0.450 374 Q N -0.174 119.651 119.800 0.042 0.000 2.077 374 Q HA -0.292 4.048 4.340 0.000 0.000 0.206 374 Q C 2.010 178.074 176.000 0.105 0.000 0.989 374 Q CA 2.356 58.205 55.803 0.076 0.000 0.853 374 Q CB -0.241 28.561 28.738 0.106 0.000 0.907 374 Q HN 0.621 nan 8.270 nan 0.000 0.418 375 D N 0.071 120.556 120.400 0.141 0.000 2.123 375 D HA -0.150 4.490 4.640 0.000 0.000 0.196 375 D C 1.889 178.162 176.300 -0.045 0.000 0.992 375 D CA 1.134 55.229 54.000 0.157 0.000 0.833 375 D CB -0.124 40.768 40.800 0.153 0.000 0.954 375 D HN 0.346 nan 8.370 nan 0.000 0.455 376 I N 0.695 121.213 120.570 -0.086 0.000 2.090 376 I HA -0.265 3.905 4.170 0.000 0.000 0.236 376 I C 2.523 178.528 176.117 -0.186 0.000 1.064 376 I CA 0.775 61.935 61.300 -0.234 0.000 1.324 376 I CB -0.212 37.528 38.000 -0.435 0.000 1.044 376 I HN -0.039 nan 8.210 nan 0.000 0.399 377 L N 0.053 121.180 121.223 -0.160 0.000 2.089 377 L HA -0.295 4.045 4.340 0.000 0.000 0.213 377 L C 2.519 179.457 176.870 0.113 0.000 1.079 377 L CA 1.455 56.300 54.840 0.008 0.000 0.758 377 L CB -0.788 41.296 42.059 0.042 0.000 0.891 377 L HN 0.338 nan 8.230 nan 0.000 0.433 378 L N -0.816 120.490 121.223 0.139 0.000 1.976 378 L HA -0.249 4.091 4.340 0.000 0.000 0.209 378 L C 2.752 179.772 176.870 0.249 0.000 1.071 378 L CA 1.615 56.616 54.840 0.268 0.000 0.746 378 L CB -0.509 41.824 42.059 0.457 0.000 0.890 378 L HN 0.311 nan 8.230 nan 0.000 0.432 379 M N -0.408 119.202 119.600 0.017 0.000 2.108 379 M HA -0.221 4.259 4.480 0.000 0.000 0.261 379 M C 2.176 178.535 176.300 0.098 0.000 1.066 379 M CA 1.784 57.048 55.300 -0.060 0.000 1.107 379 M CB -0.674 31.587 32.600 -0.564 0.000 1.356 379 M HN 0.100 nan 8.290 nan 0.000 0.406 380 K N 0.757 121.119 120.400 -0.064 0.000 2.002 380 K HA -0.177 4.143 4.320 0.000 0.000 0.209 380 K C 2.092 178.628 176.600 -0.107 0.000 1.048 380 K CA 1.716 57.852 56.287 -0.253 0.000 0.930 380 K CB -0.459 31.634 32.500 -0.679 0.000 0.714 380 K HN 0.481 nan 8.250 nan 0.000 0.438 381 Q N 0.626 120.524 119.800 0.164 0.000 2.268 381 Q HA -0.123 4.217 4.340 0.000 0.000 0.210 381 Q C 1.121 177.386 176.000 0.443 0.000 0.988 381 Q CA 1.029 57.078 55.803 0.410 0.000 0.883 381 Q CB -0.079 28.946 28.738 0.479 0.000 0.911 381 Q HN 0.274 nan 8.270 nan 0.000 0.430 382 N N 0.652 119.554 118.700 0.336 0.000 2.295 382 N HA 0.016 4.757 4.740 0.000 0.000 0.221 382 N C -0.637 174.897 175.510 0.040 0.000 1.129 382 N CA 0.054 53.277 53.050 0.288 0.000 0.836 382 N CB 0.403 39.169 38.487 0.465 0.000 1.040 382 N HN 0.204 nan 8.380 nan 0.000 0.494 383 N N 0.278 118.991 118.700 0.022 0.000 2.735 383 N HA -0.206 4.534 4.740 0.000 0.000 0.248 383 N C -0.871 174.449 175.510 -0.316 0.000 1.083 383 N CA 0.817 53.779 53.050 -0.145 0.000 0.703 383 N CB -1.764 36.493 38.487 -0.384 0.000 1.005 383 N HN 0.247 nan 8.380 nan 0.000 0.550 384 F N 0.505 120.416 119.950 -0.065 0.000 2.384 384 F HA 0.231 4.758 4.527 0.000 0.000 0.338 384 F C 1.882 177.648 175.800 -0.057 0.000 1.103 384 F CA -0.267 57.694 58.000 -0.066 0.000 1.157 384 F CB 0.764 39.699 39.000 -0.109 0.000 1.167 384 F HN -0.045 nan 8.300 nan 0.000 0.529 385 N N 0.428 119.226 118.700 0.163 0.000 2.397 385 N HA 0.416 5.156 4.740 0.000 0.000 0.190 385 N C -0.660 174.872 175.510 0.038 0.000 1.099 385 N CA -0.006 53.092 53.050 0.080 0.000 0.876 385 N CB 0.538 39.152 38.487 0.212 0.000 1.143 385 N HN 0.595 nan 8.380 nan 0.000 0.468 386 A N 0.466 123.387 122.820 0.169 0.000 2.606 386 A HA 0.628 4.948 4.320 0.000 0.000 0.293 386 A C -1.707 176.071 177.584 0.323 0.000 1.082 386 A CA -0.432 51.767 52.037 0.271 0.000 0.685 386 A CB 1.765 20.960 19.000 0.326 0.000 1.284 386 A HN -0.061 nan 8.150 nan 0.000 0.408 387 V N 1.082 121.238 119.914 0.403 0.000 2.962 387 V HA 0.877 4.997 4.120 0.000 0.000 0.313 387 V C -0.678 175.598 176.094 0.303 0.000 1.099 387 V CA -0.817 61.694 62.300 0.351 0.000 0.971 387 V CB 1.932 33.896 31.823 0.235 0.000 1.028 387 V HN 1.131 nan 8.190 nan 0.000 0.430 388 R N 4.466 125.013 120.500 0.078 0.000 2.480 388 R HA 0.460 4.800 4.340 0.000 0.000 0.306 388 R C -0.896 175.316 176.300 -0.146 0.000 0.958 388 R CA -0.517 55.471 56.100 -0.187 0.000 0.861 388 R CB 1.309 31.241 30.300 -0.612 0.000 1.171 388 R HN 0.831 nan 8.270 nan 0.000 0.445 389 C N 4.067 123.294 119.300 -0.122 0.000 3.585 389 C HA 0.084 4.544 4.460 0.000 0.000 0.575 389 C C 0.833 175.599 174.990 -0.374 0.000 1.068 389 C CA -0.404 58.475 59.018 -0.231 0.000 1.113 389 C CB -2.249 25.435 27.740 -0.093 0.000 1.381 389 C HN 0.667 nan 8.230 nan 0.000 0.635 390 S N 1.142 116.569 115.700 -0.455 0.000 2.466 390 S HA 0.140 4.610 4.470 0.000 0.000 0.286 390 S C -0.156 173.650 174.600 -1.323 0.000 1.221 390 S CA 0.260 58.071 58.200 -0.649 0.000 1.091 390 S CB 0.045 62.861 63.200 -0.641 0.000 0.956 390 S HN 0.704 nan 8.310 nan 0.000 0.501 391 H N 3.811 122.325 119.070 -0.926 0.000 2.511 391 H HA 0.339 4.895 4.556 0.000 0.000 0.228 391 H C -1.036 174.174 175.328 -0.196 0.000 1.424 391 H CA -0.466 55.370 56.048 -0.354 0.000 1.321 391 H CB -0.240 29.498 29.762 -0.041 0.000 1.720 391 H HN 0.879 nan 8.280 nan 0.000 0.512 392 Y N -2.527 117.869 120.300 0.159 0.000 2.774 392 Y HA 0.479 5.029 4.550 0.000 0.000 0.346 392 Y C -3.297 172.698 175.900 0.158 0.000 1.222 392 Y CA -3.194 55.005 58.100 0.164 0.000 1.088 392 Y CB 0.061 38.619 38.460 0.164 0.000 1.354 392 Y HN -0.110 nan 8.280 nan 0.000 0.455 393 P HA 0.174 nan 4.420 nan 0.000 0.269 393 P C -0.865 176.728 177.300 0.488 0.000 1.209 393 P CA 0.189 63.545 63.100 0.427 0.000 0.776 393 P CB 0.657 32.558 31.700 0.335 0.000 0.876 394 N N 0.212 119.163 118.700 0.419 0.000 2.476 394 N HA 0.123 4.863 4.740 0.000 0.000 0.276 394 N C 0.042 175.780 175.510 0.379 0.000 1.204 394 N CA -0.645 52.563 53.050 0.264 0.000 0.974 394 N CB 0.452 38.827 38.487 -0.188 0.000 1.204 394 N HN 0.592 nan 8.380 nan 0.000 0.543 395 H N 2.488 121.665 119.070 0.179 0.000 3.046 395 H HA 0.018 4.574 4.556 0.000 0.000 0.303 395 H C -1.679 173.827 175.328 0.296 0.000 1.002 395 H CA -1.134 55.029 56.048 0.192 0.000 1.460 395 H CB 0.823 30.662 29.762 0.129 0.000 1.493 395 H HN 0.454 nan 8.280 nan 0.000 0.559 396 P HA -0.321 nan 4.420 nan 0.000 0.222 396 P C 1.935 179.519 177.300 0.473 0.000 1.147 396 P CA 1.113 64.408 63.100 0.324 0.000 0.958 396 P CB 0.107 31.826 31.700 0.031 0.000 0.788 397 L N -0.748 120.810 121.223 0.558 0.000 2.103 397 L HA -0.179 4.161 4.340 0.000 0.000 0.215 397 L C 2.458 179.535 176.870 0.345 0.000 1.080 397 L CA 1.562 56.666 54.840 0.441 0.000 0.764 397 L CB -1.788 40.540 42.059 0.449 0.000 0.890 397 L HN 0.166 nan 8.230 nan 0.000 0.435 398 W N -0.197 121.205 121.300 0.169 0.000 2.283 398 W HA -0.424 4.236 4.660 0.000 0.000 0.335 398 W C 2.348 178.798 176.519 -0.116 0.000 1.313 398 W CA 2.503 59.806 57.345 -0.071 0.000 1.263 398 W CB -0.704 28.582 29.460 -0.290 0.000 1.141 398 W HN 0.319 nan 8.180 nan 0.000 0.468 399 Y N 0.673 120.911 120.300 -0.103 0.000 2.207 399 Y HA -0.225 4.325 4.550 0.000 0.000 0.287 399 Y C 2.824 178.524 175.900 -0.333 0.000 1.156 399 Y CA 2.094 59.933 58.100 -0.436 0.000 1.182 399 Y CB -1.472 36.475 38.460 -0.855 0.000 0.979 399 Y HN -0.155 nan 8.280 nan 0.000 0.521 400 T N 0.603 115.177 114.554 0.032 0.000 2.788 400 T HA -0.138 4.212 4.350 0.000 0.000 0.268 400 T C 1.969 176.705 174.700 0.061 0.000 1.044 400 T CA 1.368 63.547 62.100 0.132 0.000 1.139 400 T CB -0.529 68.456 68.868 0.194 0.000 0.867 400 T HN 0.226 nan 8.240 nan 0.000 0.454 401 L N 0.523 121.738 121.223 -0.013 0.000 2.027 401 L HA -0.091 4.249 4.340 0.000 0.000 0.206 401 L C 2.921 179.764 176.870 -0.045 0.000 1.074 401 L CA 1.035 55.888 54.840 0.022 0.000 0.745 401 L CB -0.826 41.210 42.059 -0.038 0.000 0.898 401 L HN 0.341 nan 8.230 nan 0.000 0.433 402 C N -0.210 118.883 119.300 -0.345 0.000 2.413 402 C HA -0.160 4.300 4.460 0.000 0.000 0.277 402 C C 2.429 177.455 174.990 0.061 0.000 1.265 402 C CA 0.300 59.179 59.018 -0.233 0.000 1.752 402 C CB -0.958 26.557 27.740 -0.375 0.000 1.998 402 C HN 0.551 nan 8.230 nan 0.000 0.489 403 D N 0.659 121.105 120.400 0.078 0.000 2.104 403 D HA -0.131 4.509 4.640 0.000 0.000 0.194 403 D C 2.318 178.787 176.300 0.281 0.000 0.994 403 D CA 1.386 55.503 54.000 0.196 0.000 0.830 403 D CB -0.398 40.472 40.800 0.116 0.000 0.959 403 D HN 0.486 nan 8.370 nan 0.000 0.452 404 R N -0.616 119.956 120.500 0.119 0.000 2.062 404 R HA -0.075 4.265 4.340 0.000 0.000 0.231 404 R C 2.387 178.608 176.300 -0.131 0.000 1.136 404 R CA 0.916 57.006 56.100 -0.018 0.000 0.948 404 R CB -0.448 29.772 30.300 -0.134 0.000 0.845 404 R HN 0.254 nan 8.270 nan 0.000 0.430 405 Y N -0.483 119.823 120.300 0.009 0.000 2.457 405 Y HA 0.154 4.704 4.550 0.000 0.000 0.292 405 Y C 1.009 176.836 175.900 -0.121 0.000 1.125 405 Y CA 1.013 59.092 58.100 -0.035 0.000 1.254 405 Y CB 0.211 38.623 38.460 -0.080 0.000 1.012 405 Y HN 0.283 nan 8.280 nan 0.000 0.555 406 G N 0.974 109.789 108.800 0.025 0.000 2.799 406 G HA2 -0.180 3.780 3.960 0.000 0.000 0.271 406 G HA3 -0.180 3.780 3.960 0.000 0.000 0.271 406 G C -1.074 173.663 174.900 -0.271 0.000 1.067 406 G CA -0.403 44.588 45.100 -0.182 0.000 1.251 406 G HN 0.211 nan 8.290 nan 0.000 0.560 407 L N 1.572 122.711 121.223 -0.139 0.000 2.438 407 L HA 0.468 4.808 4.340 0.000 0.000 0.270 407 L C 0.043 176.893 176.870 -0.033 0.000 0.972 407 L CA -1.479 53.237 54.840 -0.207 0.000 0.831 407 L CB 1.470 43.447 42.059 -0.138 0.000 1.273 407 L HN 0.313 nan 8.230 nan 0.000 0.405 408 Y N 2.297 122.705 120.300 0.181 0.000 2.702 408 Y HA 0.235 4.785 4.550 0.000 0.000 0.336 408 Y C 0.420 176.442 175.900 0.203 0.000 1.235 408 Y CA -0.218 58.018 58.100 0.226 0.000 1.492 408 Y CB 0.390 38.967 38.460 0.195 0.000 1.308 408 Y HN 0.174 nan 8.280 nan 0.000 0.589 409 V N 3.132 123.254 119.914 0.346 0.000 2.789 409 V HA 0.460 4.580 4.120 0.000 0.000 0.311 409 V C -0.899 175.298 176.094 0.172 0.000 1.073 409 V CA -1.065 61.385 62.300 0.250 0.000 0.921 409 V CB 2.381 34.332 31.823 0.213 0.000 1.009 409 V HN 0.435 nan 8.190 nan 0.000 0.426 410 V N 2.994 122.983 119.914 0.125 0.000 2.326 410 V HA 0.377 4.497 4.120 0.000 0.000 0.281 410 V C -0.516 175.623 176.094 0.075 0.000 1.015 410 V CA -0.483 61.834 62.300 0.028 0.000 0.823 410 V CB 1.474 33.219 31.823 -0.129 0.000 1.009 410 V HN 0.858 nan 8.190 nan 0.000 0.436 411 D N 3.884 124.363 120.400 0.132 0.000 2.256 411 D HA 0.378 5.018 4.640 0.000 0.000 0.250 411 D C -0.258 176.213 176.300 0.284 0.000 1.093 411 D CA 0.081 54.248 54.000 0.279 0.000 0.882 411 D CB 1.447 42.459 40.800 0.353 0.000 1.185 411 D HN 0.663 nan 8.370 nan 0.000 0.437 412 E N 1.212 121.560 120.200 0.247 0.000 2.256 412 E HA 0.589 4.939 4.350 0.000 0.000 0.268 412 E C -1.169 175.559 176.600 0.212 0.000 0.877 412 E CA -1.022 55.502 56.400 0.206 0.000 0.757 412 E CB 1.488 31.261 29.700 0.122 0.000 1.183 412 E HN 0.462 nan 8.360 nan 0.000 0.418 413 A N 3.518 126.454 122.820 0.193 0.000 2.498 413 A HA 0.036 4.356 4.320 0.000 0.000 0.239 413 A C 0.355 178.054 177.584 0.193 0.000 1.068 413 A CA -0.131 52.004 52.037 0.163 0.000 0.766 413 A CB 0.100 19.160 19.000 0.100 0.000 1.003 413 A HN 0.642 nan 8.150 nan 0.000 0.497 414 N N 1.556 120.380 118.700 0.207 0.000 2.971 414 N HA 0.230 4.970 4.740 0.000 0.000 0.294 414 N C -1.077 174.554 175.510 0.202 0.000 1.210 414 N CA 0.219 53.420 53.050 0.252 0.000 1.157 414 N CB -0.877 37.774 38.487 0.274 0.000 1.450 414 N HN 0.472 nan 8.380 nan 0.000 0.527 415 I N 1.047 121.730 120.570 0.189 0.000 2.503 415 I HA 0.239 4.409 4.170 0.000 0.000 0.282 415 I C -0.585 175.632 176.117 0.166 0.000 1.059 415 I CA -0.526 60.870 61.300 0.160 0.000 1.081 415 I CB 1.581 39.651 38.000 0.116 0.000 1.210 415 I HN 0.259 nan 8.210 nan 0.000 0.450 416 E N 4.032 124.332 120.200 0.168 0.000 2.263 416 E HA 0.487 4.837 4.350 0.000 0.000 0.268 416 E C -0.346 176.335 176.600 0.134 0.000 0.884 416 E CA -0.510 55.971 56.400 0.136 0.000 0.766 416 E CB 1.588 31.373 29.700 0.141 0.000 1.196 416 E HN 0.534 nan 8.360 nan 0.000 0.416 417 T N 0.463 115.079 114.554 0.103 0.000 3.393 417 T HA 0.140 4.490 4.350 0.000 0.000 0.298 417 T C 0.956 175.711 174.700 0.091 0.000 1.004 417 T CA -0.200 61.983 62.100 0.138 0.000 0.956 417 T CB -0.406 68.522 68.868 0.099 0.000 1.182 417 T HN 0.689 nan 8.240 nan 0.000 0.497 418 H N 1.474 120.484 119.070 -0.099 0.000 2.330 418 H HA -0.149 4.407 4.556 0.000 0.000 0.290 418 H C 2.305 177.507 175.328 -0.210 0.000 1.111 418 H CA 1.663 57.609 56.048 -0.171 0.000 1.226 418 H CB -0.299 29.322 29.762 -0.234 0.000 1.355 418 H HN 0.569 nan 8.280 nan 0.000 0.485 419 G N 0.096 108.755 108.800 -0.235 0.000 2.708 419 G HA2 -0.050 3.910 3.960 0.000 0.000 0.210 419 G HA3 -0.050 3.910 3.960 0.000 0.000 0.210 419 G C 0.417 175.389 174.900 0.119 0.000 1.141 419 G CA 0.049 44.985 45.100 -0.274 0.000 0.788 419 G HN 0.191 nan 8.290 nan 0.000 0.531 420 M N -0.147 119.557 119.600 0.174 0.000 2.267 420 M HA 0.436 4.916 4.480 0.000 0.000 0.303 420 M C -0.666 175.662 176.300 0.046 0.000 1.164 420 M CA -0.413 54.972 55.300 0.142 0.000 1.060 420 M CB 1.736 34.392 32.600 0.093 0.000 1.455 420 M HN -0.223 nan 8.290 nan 0.000 0.483 421 V N 2.280 122.205 119.914 0.018 0.000 2.462 421 V HA 0.323 4.443 4.120 0.000 0.000 0.288 421 V C -2.201 173.883 176.094 -0.016 0.000 1.020 421 V CA -1.180 61.117 62.300 -0.005 0.000 0.857 421 V CB 1.582 33.400 31.823 -0.008 0.000 1.013 421 V HN 0.707 nan 8.190 nan 0.000 0.431 422 P HA 0.369 nan 4.420 nan 0.000 0.279 422 P C 1.142 178.439 177.300 -0.006 0.000 1.282 422 P CA -0.687 62.406 63.100 -0.012 0.000 0.788 422 P CB 0.811 32.505 31.700 -0.010 0.000 1.139 423 M N 0.265 119.866 119.600 0.002 0.000 2.202 423 M HA -0.184 4.296 4.480 0.000 0.000 0.262 423 M C 1.579 177.890 176.300 0.019 0.000 1.063 423 M CA 1.620 56.928 55.300 0.014 0.000 1.097 423 M CB -0.379 32.217 32.600 -0.005 0.000 1.382 423 M HN 0.350 nan 8.290 nan 0.000 0.413 424 N N 0.250 118.960 118.700 0.017 0.000 2.521 424 N HA -0.142 4.598 4.740 0.000 0.000 0.188 424 N C 1.591 177.074 175.510 -0.045 0.000 1.146 424 N CA 0.271 53.328 53.050 0.013 0.000 0.893 424 N CB -0.028 38.471 38.487 0.020 0.000 0.975 424 N HN 0.428 nan 8.380 nan 0.000 0.451 425 R N 0.539 121.001 120.500 -0.064 0.000 2.091 425 R HA -0.070 4.270 4.340 0.000 0.000 0.238 425 R C 1.911 178.102 176.300 -0.181 0.000 1.136 425 R CA 1.306 57.344 56.100 -0.103 0.000 0.959 425 R CB -0.025 30.216 30.300 -0.097 0.000 0.856 425 R HN 0.264 nan 8.270 nan 0.000 0.437 426 L N -0.441 120.617 121.223 -0.276 0.000 2.354 426 L HA 0.047 4.387 4.340 0.000 0.000 0.212 426 L C 2.359 179.073 176.870 -0.258 0.000 1.091 426 L CA 1.096 55.652 54.840 -0.473 0.000 0.828 426 L CB -0.251 41.250 42.059 -0.930 0.000 0.973 426 L HN 0.374 nan 8.230 nan 0.000 0.461 427 T N -4.641 109.794 114.554 -0.198 0.000 3.085 427 T HA -0.119 4.231 4.350 0.000 0.000 0.263 427 T C 1.217 175.811 174.700 -0.177 0.000 1.127 427 T CA 0.870 62.844 62.100 -0.211 0.000 1.103 427 T CB -0.126 68.555 68.868 -0.313 0.000 0.921 427 T HN 0.055 nan 8.240 nan 0.000 0.510 428 D N 1.143 121.473 120.400 -0.117 0.000 2.340 428 D HA 0.131 4.771 4.640 0.000 0.000 0.217 428 D C -0.313 175.956 176.300 -0.053 0.000 1.081 428 D CA -0.226 53.717 54.000 -0.095 0.000 0.842 428 D CB -0.090 40.664 40.800 -0.076 0.000 0.934 428 D HN 0.343 nan 8.370 nan 0.000 0.511 429 D N -0.202 120.185 120.400 -0.022 0.000 2.274 429 D HA 0.134 4.774 4.640 0.000 0.000 0.239 429 D C -1.746 174.594 176.300 0.067 0.000 1.104 429 D CA -2.133 51.897 54.000 0.051 0.000 0.840 429 D CB 2.182 43.085 40.800 0.172 0.000 1.100 429 D HN -0.076 nan 8.370 nan 0.000 0.477 430 P HA -0.088 nan 4.420 nan 0.000 0.218 430 P C 1.083 178.377 177.300 -0.011 0.000 1.148 430 P CA 1.003 64.102 63.100 -0.002 0.000 0.822 430 P CB 0.377 32.067 31.700 -0.016 0.000 0.784 431 R N -1.607 118.888 120.500 -0.008 0.000 2.127 431 R HA -0.139 4.201 4.340 0.000 0.000 0.238 431 R C 1.862 178.011 176.300 -0.251 0.000 1.134 431 R CA 1.486 57.503 56.100 -0.138 0.000 0.975 431 R CB -0.952 29.230 30.300 -0.196 0.000 0.865 431 R HN 0.324 nan 8.270 nan 0.000 0.447 432 W N -0.263 120.977 121.300 -0.101 0.000 3.139 432 W HA 0.133 4.793 4.660 0.000 0.000 0.260 432 W C 1.504 177.962 176.519 -0.101 0.000 1.312 432 W CA -0.437 56.848 57.345 -0.101 0.000 1.606 432 W CB -0.216 29.179 29.460 -0.108 0.000 1.118 432 W HN 0.040 nan 8.180 nan 0.000 0.675 433 L N 2.734 123.982 121.223 0.041 0.000 2.021 433 L HA -0.161 4.179 4.340 0.000 0.000 0.215 433 L C -0.564 176.275 176.870 -0.052 0.000 1.074 433 L CA 2.381 57.208 54.840 -0.022 0.000 0.760 433 L CB -1.970 40.066 42.059 -0.038 0.000 0.889 433 L HN -0.175 nan 8.230 nan 0.000 0.433 434 P HA -0.107 nan 4.420 nan 0.000 0.216 434 P C 1.599 178.857 177.300 -0.070 0.000 1.153 434 P CA 2.167 65.217 63.100 -0.084 0.000 0.848 434 P CB -0.274 31.369 31.700 -0.096 0.000 0.787 435 A N -0.482 122.313 122.820 -0.042 0.000 1.898 435 A HA -0.142 4.178 4.320 0.000 0.000 0.216 435 A C 2.274 179.880 177.584 0.036 0.000 1.181 435 A CA 1.836 53.881 52.037 0.012 0.000 0.620 435 A CB -1.415 17.621 19.000 0.059 0.000 0.819 435 A HN 0.092 nan 8.150 nan 0.000 0.442 436 M N 0.179 119.801 119.600 0.036 0.000 2.175 436 M HA -0.130 4.350 4.480 0.000 0.000 0.264 436 M C 2.536 178.789 176.300 -0.080 0.000 1.063 436 M CA 1.580 56.878 55.300 -0.004 0.000 1.119 436 M CB -0.529 32.046 32.600 -0.042 0.000 1.377 436 M HN 0.659 nan 8.290 nan 0.000 0.415 437 S N 0.981 116.609 115.700 -0.119 0.000 2.372 437 S HA -0.221 4.249 4.470 0.000 0.000 0.227 437 S C 1.681 176.129 174.600 -0.254 0.000 1.044 437 S CA 1.669 59.736 58.200 -0.221 0.000 1.050 437 S CB -0.593 62.472 63.200 -0.223 0.000 0.901 437 S HN 0.493 nan 8.310 nan 0.000 0.447 438 E N 1.232 121.334 120.200 -0.163 0.000 2.160 438 E HA -0.138 4.212 4.350 0.000 0.000 0.195 438 E C 2.395 178.921 176.600 -0.122 0.000 0.991 438 E CA 1.098 57.415 56.400 -0.140 0.000 0.810 438 E CB -0.265 29.391 29.700 -0.074 0.000 0.742 438 E HN 0.665 nan 8.360 nan 0.000 0.466 439 R N 0.303 120.754 120.500 -0.083 0.000 2.092 439 R HA -0.072 4.268 4.340 0.000 0.000 0.231 439 R C 2.467 178.722 176.300 -0.075 0.000 1.119 439 R CA 1.025 57.103 56.100 -0.035 0.000 0.970 439 R CB -0.161 30.153 30.300 0.024 0.000 0.864 439 R HN 0.006 nan 8.270 nan 0.000 0.440 440 V N 0.456 120.275 119.914 -0.158 0.000 2.446 440 V HA -0.180 3.940 4.120 0.000 0.000 0.244 440 V C 2.559 178.456 176.094 -0.329 0.000 1.039 440 V CA 2.063 64.237 62.300 -0.209 0.000 1.045 440 V CB -0.455 31.234 31.823 -0.223 0.000 0.681 440 V HN 0.538 nan 8.190 nan 0.000 0.459 441 T N 0.062 114.323 114.554 -0.488 0.000 2.708 441 T HA -0.245 4.105 4.350 0.000 0.000 0.266 441 T C 1.954 176.513 174.700 -0.235 0.000 1.037 441 T CA 1.506 63.266 62.100 -0.567 0.000 1.146 441 T CB -0.439 67.953 68.868 -0.793 0.000 0.865 441 T HN 0.460 nan 8.240 nan 0.000 0.435 442 R N 0.573 120.968 120.500 -0.175 0.000 2.148 442 R HA 0.167 4.507 4.340 0.000 0.000 0.227 442 R C 2.692 178.937 176.300 -0.091 0.000 1.103 442 R CA 1.439 57.476 56.100 -0.105 0.000 0.983 442 R CB -0.591 29.659 30.300 -0.083 0.000 0.874 442 R HN 0.490 nan 8.270 nan 0.000 0.451 443 M N 0.948 120.493 119.600 -0.092 0.000 2.067 443 M HA -0.157 4.323 4.480 0.000 0.000 0.260 443 M C 1.887 178.123 176.300 -0.107 0.000 1.069 443 M CA 1.765 57.035 55.300 -0.050 0.000 1.117 443 M CB 0.027 32.628 32.600 0.003 0.000 1.334 443 M HN -0.009 nan 8.290 nan 0.000 0.407 444 V N 0.600 120.347 119.914 -0.280 0.000 2.407 444 V HA -0.286 3.834 4.120 0.000 0.000 0.248 444 V C 2.307 178.295 176.094 -0.175 0.000 1.055 444 V CA 2.133 64.140 62.300 -0.489 0.000 1.049 444 V CB -1.070 30.434 31.823 -0.532 0.000 0.662 444 V HN 0.603 nan 8.190 nan 0.000 0.455 445 Q N -0.561 119.183 119.800 -0.093 0.000 2.167 445 Q HA -0.178 4.162 4.340 0.000 0.000 0.202 445 Q C 2.517 178.467 176.000 -0.085 0.000 0.970 445 Q CA 1.517 57.290 55.803 -0.049 0.000 0.855 445 Q CB -0.094 28.641 28.738 -0.005 0.000 0.911 445 Q HN 0.531 nan 8.270 nan 0.000 0.438 446 R N -0.204 120.236 120.500 -0.099 0.000 2.140 446 R HA -0.065 4.275 4.340 0.000 0.000 0.213 446 R C 0.297 176.533 176.300 -0.107 0.000 1.059 446 R CA 1.266 57.284 56.100 -0.137 0.000 1.000 446 R CB 0.470 30.683 30.300 -0.144 0.000 0.910 446 R HN 0.200 nan 8.270 nan 0.000 0.455 447 D N 0.018 120.403 120.400 -0.024 0.000 2.407 447 D HA -0.008 4.632 4.640 0.000 0.000 0.208 447 D C 1.383 177.741 176.300 0.097 0.000 1.083 447 D CA 0.100 54.123 54.000 0.038 0.000 0.844 447 D CB 0.259 40.981 40.800 -0.130 0.000 0.967 447 D HN 0.309 nan 8.370 nan 0.000 0.506 448 R N 1.097 121.657 120.500 0.099 0.000 2.276 448 R HA -0.072 4.268 4.340 0.000 0.000 0.243 448 R C 0.875 177.099 176.300 -0.127 0.000 1.161 448 R CA 1.176 57.322 56.100 0.076 0.000 1.007 448 R CB -0.543 29.768 30.300 0.019 0.000 0.867 448 R HN -0.023 nan 8.270 nan 0.000 0.472 449 N N 0.313 118.845 118.700 -0.281 0.000 2.322 449 N HA -0.022 4.719 4.740 0.000 0.000 0.194 449 N C -0.516 174.755 175.510 -0.399 0.000 1.126 449 N CA 0.152 52.988 53.050 -0.356 0.000 0.845 449 N CB 0.097 38.336 38.487 -0.414 0.000 0.976 449 N HN 0.329 nan 8.380 nan 0.000 0.475 450 H N 1.782 120.750 119.070 -0.170 0.000 3.015 450 H HA 0.095 4.651 4.556 0.000 0.000 0.268 450 H C -1.178 173.982 175.328 -0.279 0.000 1.113 450 H CA -1.286 54.653 56.048 -0.181 0.000 1.479 450 H CB 1.180 30.872 29.762 -0.116 0.000 1.493 450 H HN 0.069 nan 8.280 nan 0.000 0.486 451 P HA -0.165 nan 4.420 nan 0.000 0.219 451 P C 1.472 178.334 177.300 -0.730 0.000 1.146 451 P CA 1.156 63.889 63.100 -0.612 0.000 0.808 451 P CB 0.260 31.331 31.700 -1.049 0.000 0.779 452 S N -1.271 114.142 115.700 -0.479 0.000 2.423 452 S HA -0.027 4.443 4.470 0.000 0.000 0.231 452 S C 1.063 175.679 174.600 0.027 0.000 1.014 452 S CA 0.257 58.364 58.200 -0.155 0.000 0.965 452 S CB -1.423 61.816 63.200 0.066 0.000 0.785 452 S HN -0.065 nan 8.310 nan 0.000 0.495 453 V N 3.735 123.632 119.914 -0.029 0.000 2.479 453 V HA 0.207 4.327 4.120 0.000 0.000 0.281 453 V C 1.084 177.068 176.094 -0.184 0.000 1.031 453 V CA 0.139 62.386 62.300 -0.088 0.000 1.038 453 V CB 0.375 32.071 31.823 -0.212 0.000 0.981 453 V HN 0.639 nan 8.190 nan 0.000 0.478 454 I N 2.534 123.029 120.570 -0.124 0.000 4.403 454 I HA 0.509 4.679 4.170 0.000 0.000 0.331 454 I C 0.318 176.311 176.117 -0.207 0.000 1.327 454 I CA 0.365 61.585 61.300 -0.133 0.000 1.175 454 I CB 0.479 38.465 38.000 -0.024 0.000 1.165 454 I HN 0.321 nan 8.210 nan 0.000 0.413 455 I N -0.113 120.309 120.570 -0.247 0.000 2.894 455 I HA 0.395 4.565 4.170 0.000 0.000 0.302 455 I C -1.687 174.274 176.117 -0.260 0.000 1.188 455 I CA -0.493 60.687 61.300 -0.199 0.000 1.014 455 I CB 2.334 40.308 38.000 -0.043 0.000 1.242 455 I HN 0.013 nan 8.210 nan 0.000 0.430 456 W N 2.577 123.914 121.300 0.061 0.000 2.606 456 W HA 0.636 5.296 4.660 0.000 0.000 0.332 456 W C 0.078 176.644 176.519 0.079 0.000 1.052 456 W CA -0.756 56.631 57.345 0.069 0.000 1.223 456 W CB 1.969 31.466 29.460 0.063 0.000 1.383 456 W HN 0.307 nan 8.180 nan 0.000 0.524 457 S N 2.783 118.692 115.700 0.349 0.000 2.557 457 S HA 0.372 4.842 4.470 0.000 0.000 0.291 457 S C 0.195 174.935 174.600 0.233 0.000 1.116 457 S CA -0.676 57.671 58.200 0.246 0.000 0.992 457 S CB 0.808 64.097 63.200 0.148 0.000 1.028 457 S HN 0.585 nan 8.310 nan 0.000 0.484 458 L N 4.238 125.589 121.223 0.213 0.000 2.622 458 L HA 0.298 4.638 4.340 0.000 0.000 0.233 458 L C 1.504 178.440 176.870 0.110 0.000 1.156 458 L CA 0.615 55.517 54.840 0.102 0.000 0.866 458 L CB -1.322 40.700 42.059 -0.062 0.000 0.980 458 L HN 1.007 nan 8.230 nan 0.000 0.448 459 G N 0.014 108.940 108.800 0.210 0.000 2.250 459 G HA2 -0.134 3.826 3.960 0.000 0.000 0.196 459 G HA3 -0.134 3.826 3.960 0.000 0.000 0.196 459 G C -1.472 173.535 174.900 0.178 0.000 1.308 459 G CA -0.360 44.859 45.100 0.198 0.000 1.207 459 G HN 0.221 nan 8.290 nan 0.000 0.505 460 N N 0.631 119.416 118.700 0.141 0.000 2.555 460 N HA 0.425 5.165 4.740 0.000 0.000 0.265 460 N C -0.761 174.683 175.510 -0.109 0.000 1.135 460 N CA 0.279 53.257 53.050 -0.119 0.000 0.925 460 N CB 1.291 39.422 38.487 -0.595 0.000 1.662 460 N HN 0.979 nan 8.380 nan 0.000 0.489 461 E N 0.931 120.973 120.200 -0.264 0.000 2.246 461 E HA -0.188 4.162 4.350 0.000 0.000 0.173 461 E C -0.820 175.704 176.600 -0.127 0.000 1.532 461 E CA 0.805 56.996 56.400 -0.348 0.000 0.672 461 E CB -1.686 27.547 29.700 -0.778 0.000 1.078 461 E HN 0.446 nan 8.360 nan 0.000 0.338 462 S N -0.248 115.506 115.700 0.090 0.000 2.900 462 S HA 0.389 4.860 4.470 0.000 0.000 0.253 462 S C 0.749 175.507 174.600 0.264 0.000 1.029 462 S CA 0.024 58.346 58.200 0.205 0.000 1.096 462 S CB 1.467 64.865 63.200 0.330 0.000 1.067 462 S HN 0.945 nan 8.310 nan 0.000 0.610 463 G N 1.994 110.896 108.800 0.169 0.000 2.601 463 G HA2 -0.266 3.694 3.960 0.000 0.000 0.261 463 G HA3 -0.266 3.694 3.960 0.000 0.000 0.261 463 G C -0.547 174.585 174.900 0.387 0.000 1.289 463 G CA -0.137 45.069 45.100 0.177 0.000 0.920 463 G HN 0.595 nan 8.290 nan 0.000 0.571 464 H N 0.736 119.933 119.070 0.211 0.000 2.762 464 H HA 0.568 5.124 4.556 0.000 0.000 0.310 464 H C 0.455 175.945 175.328 0.269 0.000 1.004 464 H CA 0.008 56.230 56.048 0.290 0.000 1.267 464 H CB 0.430 30.290 29.762 0.165 0.000 1.437 464 H HN 0.990 nan 8.280 nan 0.000 0.498 465 G N 1.581 110.426 108.800 0.075 0.000 2.644 465 G HA2 0.446 4.406 3.960 0.000 0.000 0.307 465 G HA3 0.446 4.406 3.960 0.000 0.000 0.307 465 G C 0.628 175.334 174.900 -0.322 0.000 1.250 465 G CA -0.117 44.842 45.100 -0.236 0.000 0.996 465 G HN 0.662 nan 8.290 nan 0.000 0.489 466 A N 0.346 123.034 122.820 -0.219 0.000 1.933 466 A HA -0.103 4.217 4.320 0.000 0.000 0.218 466 A C 2.148 179.682 177.584 -0.084 0.000 1.175 466 A CA 2.015 53.978 52.037 -0.124 0.000 0.628 466 A CB -0.557 18.398 19.000 -0.074 0.000 0.814 466 A HN 0.558 nan 8.150 nan 0.000 0.444 467 N N -0.168 118.451 118.700 -0.135 0.000 2.272 467 N HA -0.167 4.573 4.740 0.000 0.000 0.185 467 N C 1.322 176.749 175.510 -0.138 0.000 1.014 467 N CA 1.762 54.729 53.050 -0.139 0.000 0.870 467 N CB -0.767 37.618 38.487 -0.170 0.000 0.975 467 N HN 0.796 nan 8.380 nan 0.000 0.433 468 H N 0.303 119.333 119.070 -0.068 0.000 2.326 468 H HA -0.020 4.536 4.556 0.000 0.000 0.301 468 H C 1.286 176.646 175.328 0.055 0.000 1.081 468 H CA 1.237 57.249 56.048 -0.059 0.000 1.334 468 H CB 0.119 29.853 29.762 -0.047 0.000 1.385 468 H HN 0.139 nan 8.280 nan 0.000 0.504 469 D N 0.297 120.826 120.400 0.215 0.000 2.133 469 D HA -0.168 4.472 4.640 0.000 0.000 0.195 469 D C 2.233 178.655 176.300 0.204 0.000 0.997 469 D CA 1.263 55.382 54.000 0.197 0.000 0.840 469 D CB -0.326 40.565 40.800 0.151 0.000 0.947 469 D HN 0.450 nan 8.370 nan 0.000 0.452 470 A N 0.465 123.366 122.820 0.134 0.000 1.898 470 A HA -0.081 4.239 4.320 0.000 0.000 0.216 470 A C 2.420 180.112 177.584 0.180 0.000 1.181 470 A CA 0.768 52.886 52.037 0.134 0.000 0.620 470 A CB -0.710 18.328 19.000 0.064 0.000 0.819 470 A HN 0.199 nan 8.150 nan 0.000 0.442 471 L N -1.841 119.466 121.223 0.139 0.000 2.141 471 L HA -0.170 4.170 4.340 0.000 0.000 0.209 471 L C 2.539 179.548 176.870 0.231 0.000 1.094 471 L CA 1.616 56.533 54.840 0.129 0.000 0.763 471 L CB -0.688 41.376 42.059 0.009 0.000 0.908 471 L HN 0.627 nan 8.230 nan 0.000 0.437 472 Y N 0.466 120.837 120.300 0.118 0.000 2.114 472 Y HA -0.249 4.301 4.550 0.000 0.000 0.284 472 Y C 2.888 178.868 175.900 0.133 0.000 1.143 472 Y CA 1.379 59.553 58.100 0.124 0.000 1.135 472 Y CB -0.166 38.364 38.460 0.117 0.000 0.980 472 Y HN -0.088 nan 8.280 nan 0.000 0.499 473 R N 0.242 120.913 120.500 0.284 0.000 2.096 473 R HA -0.274 4.066 4.340 0.000 0.000 0.240 473 R C 2.136 178.463 176.300 0.044 0.000 1.139 473 R CA 2.162 58.341 56.100 0.132 0.000 0.952 473 R CB -1.740 28.687 30.300 0.212 0.000 0.854 473 R HN 0.706 nan 8.270 nan 0.000 0.436 474 W N 1.350 122.622 121.300 -0.046 0.000 2.302 474 W HA -0.241 4.419 4.660 0.000 0.000 0.320 474 W C 1.959 178.397 176.519 -0.135 0.000 1.241 474 W CA 2.065 59.364 57.345 -0.077 0.000 1.264 474 W CB -0.360 29.058 29.460 -0.070 0.000 1.154 474 W HN 0.031 nan 8.180 nan 0.000 0.483 475 I N 0.668 121.301 120.570 0.104 0.000 2.099 475 I HA -0.352 3.818 4.170 0.000 0.000 0.239 475 I C 2.408 178.360 176.117 -0.275 0.000 1.066 475 I CA 1.559 62.773 61.300 -0.142 0.000 1.324 475 I CB -1.285 36.666 38.000 -0.082 0.000 1.037 475 I HN -0.060 nan 8.210 nan 0.000 0.401 476 K N 1.276 121.506 120.400 -0.283 0.000 2.189 476 K HA -0.165 4.155 4.320 0.000 0.000 0.207 476 K C 2.194 178.666 176.600 -0.213 0.000 1.046 476 K CA 1.832 57.958 56.287 -0.268 0.000 0.928 476 K CB -0.593 31.706 32.500 -0.336 0.000 0.720 476 K HN 0.427 nan 8.250 nan 0.000 0.458 477 S N 0.175 115.714 115.700 -0.268 0.000 2.404 477 S HA -0.013 4.457 4.470 0.000 0.000 0.223 477 S C 2.234 176.632 174.600 -0.336 0.000 1.040 477 S CA 0.637 58.681 58.200 -0.260 0.000 0.957 477 S CB -0.268 62.783 63.200 -0.247 0.000 0.826 477 S HN -0.012 nan 8.310 nan 0.000 0.491 478 V N 1.864 121.443 119.914 -0.558 0.000 2.548 478 V HA -0.016 4.104 4.120 0.000 0.000 0.249 478 V C 0.630 176.516 176.094 -0.348 0.000 1.055 478 V CA 1.568 63.529 62.300 -0.566 0.000 1.065 478 V CB -0.511 30.674 31.823 -1.063 0.000 0.681 478 V HN 0.463 nan 8.190 nan 0.000 0.462 479 D N -0.357 119.882 120.400 -0.268 0.000 2.405 479 D HA 0.234 4.874 4.640 0.000 0.000 0.264 479 D C -2.068 174.224 176.300 -0.014 0.000 1.240 479 D CA -1.689 52.256 54.000 -0.091 0.000 0.893 479 D CB 1.525 42.356 40.800 0.052 0.000 1.198 479 D HN 0.122 nan 8.370 nan 0.000 0.514 480 P HA 0.010 nan 4.420 nan 0.000 0.249 480 P C 0.815 178.123 177.300 0.014 0.000 1.229 480 P CA 0.232 63.319 63.100 -0.021 0.000 0.788 480 P CB 0.123 31.801 31.700 -0.036 0.000 1.072 481 S N -1.194 114.522 115.700 0.027 0.000 2.603 481 S HA 0.117 4.587 4.470 0.000 0.000 0.220 481 S C 0.825 175.434 174.600 0.016 0.000 0.967 481 S CA -0.267 57.948 58.200 0.026 0.000 0.920 481 S CB -0.355 62.853 63.200 0.013 0.000 0.773 481 S HN 0.105 nan 8.310 nan 0.000 0.529 482 R N 0.942 121.465 120.500 0.039 0.000 2.744 482 R HA 0.613 4.953 4.340 0.000 0.000 0.279 482 R C -3.234 173.096 176.300 0.050 0.000 0.977 482 R CA -2.190 53.897 56.100 -0.022 0.000 0.906 482 R CB 1.297 31.454 30.300 -0.238 0.000 1.197 482 R HN 0.113 nan 8.270 nan 0.000 0.463 483 P HA 0.249 nan 4.420 nan 0.000 0.276 483 P C -0.926 176.448 177.300 0.125 0.000 1.261 483 P CA -0.559 62.580 63.100 0.065 0.000 0.800 483 P CB 0.782 32.507 31.700 0.042 0.000 1.066 484 V N 0.953 120.971 119.914 0.174 0.000 2.656 484 V HA 0.497 4.617 4.120 0.000 0.000 0.307 484 V C -0.116 176.132 176.094 0.257 0.000 1.051 484 V CA -0.436 62.016 62.300 0.253 0.000 0.893 484 V CB 1.496 33.463 31.823 0.239 0.000 0.999 484 V HN 0.653 nan 8.190 nan 0.000 0.426 485 Q N 3.530 123.463 119.800 0.221 0.000 2.423 485 Q HA 0.824 5.164 4.340 0.000 0.000 0.278 485 Q C -1.896 174.224 176.000 0.200 0.000 1.097 485 Q CA -0.890 55.007 55.803 0.157 0.000 0.809 485 Q CB 2.977 31.754 28.738 0.065 0.000 1.391 485 Q HN 0.701 nan 8.270 nan 0.000 0.428 486 Y N 0.270 120.545 120.300 -0.041 0.000 2.409 486 Y HA 0.166 4.716 4.550 0.000 0.000 0.321 486 Y C -0.531 175.274 175.900 -0.157 0.000 1.209 486 Y CA -0.594 57.443 58.100 -0.105 0.000 1.086 486 Y CB 2.086 40.474 38.460 -0.119 0.000 1.320 486 Y HN 0.944 nan 8.280 nan 0.000 0.440 487 E N 3.500 123.188 120.200 -0.854 0.000 2.190 487 E HA 0.135 4.485 4.350 0.000 0.000 0.191 487 E C 0.837 176.983 176.600 -0.756 0.000 0.978 487 E CA 0.822 56.821 56.400 -0.669 0.000 0.839 487 E CB 0.160 29.574 29.700 -0.477 0.000 0.787 487 E HN 0.924 nan 8.360 nan 0.000 0.473 488 G N 0.091 108.068 108.800 -1.372 0.000 2.707 488 G HA2 0.098 4.058 3.960 0.000 0.000 0.231 488 G HA3 0.098 4.058 3.960 0.000 0.000 0.231 488 G C 0.803 175.581 174.900 -0.204 0.000 1.246 488 G CA 0.491 45.222 45.100 -0.614 0.000 0.852 488 G HN 0.419 nan 8.290 nan 0.000 0.584 489 G N -0.903 107.874 108.800 -0.037 0.000 2.249 489 G HA2 0.229 4.189 3.960 0.000 0.000 0.273 489 G HA3 0.229 4.189 3.960 0.000 0.000 0.273 489 G C 1.419 176.320 174.900 0.001 0.000 1.036 489 G CA 1.068 46.193 45.100 0.041 0.000 0.824 489 G HN 2.694 nan 8.290 nan 0.000 0.504 490 G N -1.598 107.196 108.800 -0.010 0.000 2.184 490 G HA2 0.345 4.305 3.960 0.000 0.000 0.206 490 G HA3 0.345 4.305 3.960 0.000 0.000 0.206 490 G C 1.165 176.157 174.900 0.154 0.000 0.995 490 G CA 1.289 46.439 45.100 0.083 0.000 0.651 490 G HN 2.380 nan 8.290 nan 0.000 0.511 491 A N -0.294 122.507 122.820 -0.032 0.000 3.768 491 A HA -0.202 4.118 4.320 0.000 0.000 0.270 491 A C 1.233 178.763 177.584 -0.090 0.000 1.019 491 A CA 2.698 54.671 52.037 -0.108 0.000 1.058 491 A CB -1.758 17.167 19.000 -0.125 0.000 1.085 491 A HN 2.068 nan 8.150 nan 0.000 0.857 492 D N -0.527 119.903 120.400 0.050 0.000 2.650 492 D HA 0.308 4.949 4.640 0.000 0.000 0.265 492 D C 0.498 176.789 176.300 -0.014 0.000 1.339 492 D CA 0.784 54.806 54.000 0.037 0.000 0.816 492 D CB -1.166 39.785 40.800 0.252 0.000 1.091 492 D HN 0.817 nan 8.370 nan 0.000 0.483 493 T N -2.226 112.259 114.554 -0.115 0.000 2.726 493 T HA 0.169 4.519 4.350 0.000 0.000 0.294 493 T C 1.529 176.100 174.700 -0.215 0.000 1.013 493 T CA 0.329 62.297 62.100 -0.220 0.000 0.996 493 T CB 0.892 69.418 68.868 -0.570 0.000 1.016 493 T HN 0.087 nan 8.240 nan 0.000 0.529 494 T N -2.395 112.027 114.554 -0.221 0.000 3.227 494 T HA 0.265 4.615 4.350 0.000 0.000 0.257 494 T C 1.400 175.841 174.700 -0.430 0.000 1.162 494 T CA 0.166 62.135 62.100 -0.219 0.000 1.051 494 T CB -0.485 68.323 68.868 -0.101 0.000 0.953 494 T HN 0.838 nan 8.240 nan 0.000 0.535 495 A N 0.303 122.880 122.820 -0.405 0.000 2.465 495 A HA 0.525 4.845 4.320 0.000 0.000 0.255 495 A C 0.827 178.236 177.584 -0.291 0.000 1.274 495 A CA -0.282 51.479 52.037 -0.460 0.000 0.920 495 A CB 0.262 19.208 19.000 -0.090 0.000 1.033 495 A HN 0.446 nan 8.150 nan 0.000 0.516 496 T N -1.814 112.600 114.554 -0.234 0.000 2.903 496 T HA 0.419 4.769 4.350 0.000 0.000 0.299 496 T C -0.602 174.129 174.700 0.053 0.000 1.093 496 T CA -0.408 61.701 62.100 0.016 0.000 1.002 496 T CB 1.470 70.336 68.868 -0.004 0.000 1.127 496 T HN 0.038 nan 8.240 nan 0.000 0.488 497 D N 2.036 122.534 120.400 0.162 0.000 2.355 497 D HA 0.299 4.939 4.640 0.000 0.000 0.206 497 D C 0.352 176.673 176.300 0.036 0.000 1.010 497 D CA 0.601 54.678 54.000 0.128 0.000 0.875 497 D CB 0.489 41.390 40.800 0.168 0.000 0.966 497 D HN 0.496 nan 8.370 nan 0.000 0.512 498 I N 0.978 121.550 120.570 0.004 0.000 2.530 498 I HA 0.249 4.419 4.170 0.000 0.000 0.297 498 I C 0.002 176.045 176.117 -0.123 0.000 1.011 498 I CA -0.855 60.411 61.300 -0.056 0.000 1.107 498 I CB 2.750 40.723 38.000 -0.046 0.000 1.285 498 I HN -0.332 nan 8.210 nan 0.000 0.436 499 I N 5.324 125.776 120.570 -0.197 0.000 2.471 499 I HA 0.075 4.245 4.170 0.000 0.000 0.286 499 I C -0.131 175.771 176.117 -0.359 0.000 1.079 499 I CA 0.048 61.143 61.300 -0.343 0.000 1.398 499 I CB 0.343 38.030 38.000 -0.522 0.000 1.403 499 I HN 0.680 nan 8.210 nan 0.000 0.530 500 C N 5.252 124.345 119.300 -0.345 0.000 3.517 500 C HA 0.450 4.910 4.460 0.000 0.000 0.202 500 C C -2.373 172.457 174.990 -0.267 0.000 1.370 500 C CA -2.206 56.653 59.018 -0.265 0.000 1.308 500 C CB -0.719 26.917 27.740 -0.173 0.000 1.840 500 C HN 0.403 nan 8.230 nan 0.000 0.525 501 P HA 0.380 nan 4.420 nan 0.000 0.274 501 P C -0.426 176.805 177.300 -0.115 0.000 1.246 501 P CA 0.111 63.106 63.100 -0.175 0.000 0.795 501 P CB 0.805 32.447 31.700 -0.096 0.000 1.006 502 M N 0.684 120.236 119.600 -0.081 0.000 2.167 502 M HA 0.469 4.949 4.480 0.000 0.000 0.333 502 M C -1.073 175.178 176.300 -0.082 0.000 1.030 502 M CA -0.598 54.562 55.300 -0.233 0.000 0.963 502 M CB 0.938 33.343 32.600 -0.325 0.000 1.589 502 M HN 0.263 nan 8.290 nan 0.000 0.431 503 Y N -0.100 120.350 120.300 0.250 0.000 4.134 503 Y HA -0.144 4.406 4.550 0.000 0.000 0.234 503 Y C 0.206 176.278 175.900 0.286 0.000 1.200 503 Y CA 0.483 58.749 58.100 0.278 0.000 1.958 503 Y CB -2.425 36.188 38.460 0.254 0.000 1.605 503 Y HN 0.987 nan 8.280 nan 0.000 0.690 504 A N 0.676 123.719 122.820 0.371 0.000 2.316 504 A HA 0.777 5.097 4.320 0.000 0.000 0.284 504 A C 0.630 178.423 177.584 0.348 0.000 1.115 504 A CA -0.719 51.530 52.037 0.353 0.000 0.812 504 A CB 0.631 19.872 19.000 0.401 0.000 1.064 504 A HN 0.363 nan 8.150 nan 0.000 0.489 505 R N 0.771 121.402 120.500 0.218 0.000 2.528 505 R HA 0.344 4.684 4.340 0.000 0.000 0.271 505 R C 0.996 177.286 176.300 -0.016 0.000 1.056 505 R CA -0.593 55.564 56.100 0.095 0.000 1.117 505 R CB 0.875 31.207 30.300 0.053 0.000 1.085 505 R HN 0.488 nan 8.270 nan 0.000 0.530 506 V N 0.492 120.266 119.914 -0.234 0.000 2.358 506 V HA -0.190 3.930 4.120 0.000 0.000 0.246 506 V C 0.810 176.820 176.094 -0.140 0.000 1.047 506 V CA 1.743 63.881 62.300 -0.270 0.000 1.035 506 V CB -0.298 31.253 31.823 -0.453 0.000 0.658 506 V HN 0.770 nan 8.190 nan 0.000 0.452 507 D N -1.533 118.808 120.400 -0.098 0.000 2.500 507 D HA 0.153 4.793 4.640 0.000 0.000 0.218 507 D C 0.685 176.977 176.300 -0.013 0.000 1.140 507 D CA 0.052 54.022 54.000 -0.050 0.000 0.830 507 D CB 1.034 41.806 40.800 -0.047 0.000 1.055 507 D HN 0.472 nan 8.370 nan 0.000 0.512 508 E N 1.678 121.874 120.200 -0.006 0.000 2.151 508 E HA 0.137 4.487 4.350 0.000 0.000 0.275 508 E C -0.991 175.613 176.600 0.007 0.000 0.936 508 E CA -0.573 55.828 56.400 0.001 0.000 0.777 508 E CB 1.274 30.973 29.700 -0.002 0.000 1.108 508 E HN -0.165 nan 8.360 nan 0.000 0.401 509 D N 3.653 124.054 120.400 0.002 0.000 2.308 509 D HA 0.103 4.743 4.640 0.000 0.000 0.251 509 D C -0.591 175.611 176.300 -0.163 0.000 1.127 509 D CA 0.114 54.106 54.000 -0.013 0.000 0.876 509 D CB 1.170 42.029 40.800 0.098 0.000 1.176 509 D HN 0.351 nan 8.370 nan 0.000 0.446 510 Q N 2.801 122.415 119.800 -0.312 0.000 2.431 510 Q HA 0.279 4.620 4.340 0.000 0.000 0.249 510 Q C -2.137 173.293 176.000 -0.950 0.000 1.025 510 Q CA -1.702 53.741 55.803 -0.601 0.000 0.835 510 Q CB 1.890 30.313 28.738 -0.525 0.000 1.207 510 Q HN 0.112 nan 8.270 nan 0.000 0.490 511 P HA 0.097 nan 4.420 nan 0.000 0.225 511 P C -0.940 175.992 177.300 -0.613 0.000 1.830 511 P CA -0.220 62.476 63.100 -0.672 0.000 1.051 511 P CB -0.265 31.233 31.700 -0.336 0.000 1.929 512 F N 2.923 122.721 119.950 -0.253 0.000 2.418 512 F HA 0.289 4.816 4.527 0.000 0.000 0.341 512 F C -1.441 174.258 175.800 -0.168 0.000 1.120 512 F CA -2.708 55.190 58.000 -0.169 0.000 1.232 512 F CB -0.650 38.264 39.000 -0.144 0.000 1.175 512 F HN 0.089 nan 8.300 nan 0.000 0.569 513 P HA 0.216 nan 4.420 nan 0.000 0.271 513 P C 0.292 177.607 177.300 0.026 0.000 1.220 513 P CA 0.815 63.934 63.100 0.032 0.000 0.768 513 P CB 1.056 32.776 31.700 0.033 0.000 0.848 514 A N 3.311 126.136 122.820 0.009 0.000 3.870 514 A HA -0.231 4.089 4.320 0.000 0.000 0.246 514 A C 0.679 178.268 177.584 0.007 0.000 0.669 514 A CA 1.913 53.959 52.037 0.016 0.000 1.221 514 A CB -2.601 16.411 19.000 0.020 0.000 1.199 514 A HN 0.602 nan 8.150 nan 0.000 0.685 515 V N -3.170 116.743 119.914 -0.001 0.000 2.575 515 V HA 0.521 4.641 4.120 0.000 0.000 0.281 515 V C -2.624 173.445 176.094 -0.040 0.000 1.087 515 V CA -1.254 61.041 62.300 -0.008 0.000 1.193 515 V CB 0.514 32.340 31.823 0.005 0.000 1.426 515 V HN 0.352 nan 8.190 nan 0.000 0.623 516 P HA 0.314 nan 4.420 nan 0.000 0.272 516 P C -0.533 176.276 177.300 -0.817 0.000 1.230 516 P CA 0.079 62.766 63.100 -0.689 0.000 0.788 516 P CB 0.635 31.481 31.700 -1.424 0.000 0.949 517 K N 1.321 121.276 120.400 -0.742 0.000 2.624 517 K HA 0.291 4.611 4.320 0.000 0.000 0.200 517 K C -0.683 175.636 176.600 -0.468 0.000 1.036 517 K CA -0.619 55.400 56.287 -0.447 0.000 1.029 517 K CB -0.044 32.528 32.500 0.121 0.000 1.317 517 K HN 0.338 nan 8.250 nan 0.000 0.555 518 W N 1.660 122.663 121.300 -0.496 0.000 2.186 518 W HA -0.069 4.591 4.660 0.000 0.000 0.355 518 W C 1.332 177.843 176.519 -0.012 0.000 1.293 518 W CA -0.194 56.956 57.345 -0.325 0.000 1.316 518 W CB 0.155 29.295 29.460 -0.533 0.000 1.212 518 W HN 0.434 nan 8.180 nan 0.000 0.610 519 S N 2.777 118.627 115.700 0.250 0.000 2.558 519 S HA -0.058 4.412 4.470 0.000 0.000 0.291 519 S C 1.145 175.896 174.600 0.251 0.000 1.306 519 S CA -0.118 58.183 58.200 0.169 0.000 1.056 519 S CB 0.198 63.451 63.200 0.089 0.000 0.836 519 S HN 0.520 nan 8.310 nan 0.000 0.504 520 I N 1.867 122.551 120.570 0.189 0.000 2.493 520 I HA -0.100 4.070 4.170 0.000 0.000 0.254 520 I C 1.761 177.911 176.117 0.055 0.000 1.160 520 I CA 0.998 62.418 61.300 0.200 0.000 1.445 520 I CB -0.475 37.594 38.000 0.115 0.000 1.086 520 I HN 0.635 nan 8.210 nan 0.000 0.433 521 K N 2.386 122.728 120.400 -0.097 0.000 2.155 521 K HA -0.126 4.194 4.320 0.000 0.000 0.203 521 K C 2.132 178.716 176.600 -0.027 0.000 1.052 521 K CA 1.563 57.695 56.287 -0.259 0.000 0.948 521 K CB -0.274 31.911 32.500 -0.526 0.000 0.728 521 K HN 0.451 nan 8.250 nan 0.000 0.448 522 K N 0.544 120.964 120.400 0.033 0.000 2.228 522 K HA -0.125 4.195 4.320 0.000 0.000 0.202 522 K C 1.819 178.448 176.600 0.048 0.000 1.051 522 K CA 0.435 56.733 56.287 0.018 0.000 0.960 522 K CB -0.107 32.369 32.500 -0.041 0.000 0.743 522 K HN 0.152 nan 8.250 nan 0.000 0.458 523 W N 2.077 123.361 121.300 -0.028 0.000 2.338 523 W HA -0.117 4.543 4.660 0.000 0.000 0.304 523 W C 1.470 177.972 176.519 -0.027 0.000 1.212 523 W CA 1.171 58.517 57.345 0.001 0.000 1.264 523 W CB -0.493 29.045 29.460 0.130 0.000 1.142 523 W HN 0.091 nan 8.180 nan 0.000 0.512 524 L N 0.728 122.096 121.223 0.242 0.000 2.131 524 L HA -0.231 4.109 4.340 0.000 0.000 0.210 524 L C 2.582 179.517 176.870 0.108 0.000 1.092 524 L CA 1.849 56.771 54.840 0.136 0.000 0.759 524 L CB -1.068 41.057 42.059 0.110 0.000 0.903 524 L HN -0.006 nan 8.230 nan 0.000 0.435 525 S N -0.882 114.867 115.700 0.081 0.000 2.548 525 S HA 0.107 4.577 4.470 0.000 0.000 0.215 525 S C 0.895 175.484 174.600 -0.019 0.000 0.976 525 S CA -0.460 57.759 58.200 0.031 0.000 0.908 525 S CB -0.246 62.970 63.200 0.027 0.000 0.781 525 S HN 0.184 nan 8.310 nan 0.000 0.519 526 L N 2.439 123.634 121.223 -0.048 0.000 2.605 526 L HA 0.101 4.441 4.340 0.000 0.000 0.296 526 L C -2.158 174.681 176.870 -0.052 0.000 1.255 526 L CA -1.003 53.764 54.840 -0.120 0.000 0.879 526 L CB -0.275 41.694 42.059 -0.150 0.000 1.124 526 L HN 0.168 nan 8.230 nan 0.000 0.507 527 P HA 0.025 nan 4.420 nan 0.000 0.262 527 P C 0.756 178.048 177.300 -0.013 0.000 1.199 527 P CA 0.951 64.029 63.100 -0.037 0.000 0.763 527 P CB 0.696 32.369 31.700 -0.045 0.000 0.790 528 G N 2.233 111.033 108.800 -0.001 0.000 2.284 528 G HA2 -0.220 3.740 3.960 0.000 0.000 0.230 528 G HA3 -0.220 3.740 3.960 0.000 0.000 0.230 528 G C 0.290 175.204 174.900 0.024 0.000 1.021 528 G CA -0.350 44.757 45.100 0.011 0.000 0.619 528 G HN 0.534 nan 8.290 nan 0.000 0.510 529 E N 1.523 121.744 120.200 0.035 0.000 2.415 529 E HA 0.478 4.828 4.350 0.000 0.000 0.263 529 E C 1.470 178.093 176.600 0.038 0.000 0.995 529 E CA 0.877 57.309 56.400 0.053 0.000 0.915 529 E CB 0.947 30.707 29.700 0.100 0.000 0.951 529 E HN 0.664 nan 8.360 nan 0.000 0.449 530 T N 0.316 114.887 114.554 0.029 0.000 3.046 530 T HA 0.272 4.622 4.350 0.000 0.000 0.270 530 T C 0.779 175.484 174.700 0.009 0.000 0.920 530 T CA -0.419 61.692 62.100 0.019 0.000 0.874 530 T CB 0.363 69.242 68.868 0.018 0.000 1.214 530 T HN 0.172 nan 8.240 nan 0.000 0.536 531 R N 2.432 122.932 120.500 -0.000 0.000 2.774 531 R HA 0.397 4.737 4.340 0.000 0.000 0.269 531 R C -2.497 173.777 176.300 -0.043 0.000 1.068 531 R CA -1.400 54.688 56.100 -0.021 0.000 1.180 531 R CB 0.021 30.300 30.300 -0.035 0.000 1.077 531 R HN 0.257 nan 8.270 nan 0.000 0.513 532 P HA 0.131 nan 4.420 nan 0.000 0.281 532 P C -1.281 175.936 177.300 -0.139 0.000 1.264 532 P CA -0.426 62.625 63.100 -0.083 0.000 0.824 532 P CB 0.701 32.353 31.700 -0.079 0.000 1.092 533 L N 2.718 123.838 121.223 -0.172 0.000 2.343 533 L HA 0.534 4.874 4.340 0.000 0.000 0.278 533 L C -1.112 175.592 176.870 -0.276 0.000 0.996 533 L CA -0.685 54.007 54.840 -0.246 0.000 0.831 533 L CB -0.093 41.814 42.059 -0.253 0.000 1.232 533 L HN 0.301 nan 8.230 nan 0.000 0.413 534 I N 6.066 126.479 120.570 -0.261 0.000 2.468 534 I HA 0.271 4.441 4.170 0.000 0.000 0.285 534 I C -0.485 175.510 176.117 -0.203 0.000 1.039 534 I CA -0.780 60.357 61.300 -0.273 0.000 1.074 534 I CB 2.065 39.980 38.000 -0.142 0.000 1.228 534 I HN 0.457 nan 8.210 nan 0.000 0.436 535 L N 5.455 126.520 121.223 -0.262 0.000 2.455 535 L HA 0.051 4.391 4.340 0.000 0.000 0.272 535 L C 1.402 178.327 176.870 0.091 0.000 1.174 535 L CA -0.214 54.546 54.840 -0.132 0.000 0.869 535 L CB 0.622 42.562 42.059 -0.198 0.000 1.130 535 L HN 0.835 nan 8.230 nan 0.000 0.474 536 C N -0.205 119.116 119.300 0.036 0.000 2.563 536 C HA 0.255 4.715 4.460 0.000 0.000 0.268 536 C C 0.550 175.632 174.990 0.152 0.000 1.365 536 C CA -0.353 58.712 59.018 0.078 0.000 1.754 536 C CB -0.995 26.690 27.740 -0.091 0.000 1.932 536 C HN 0.841 nan 8.230 nan 0.000 0.536 537 E N -0.250 119.984 120.200 0.055 0.000 2.349 537 E HA 0.490 4.840 4.350 0.000 0.000 0.290 537 E C -1.527 174.970 176.600 -0.171 0.000 0.901 537 E CA -0.263 56.137 56.400 0.001 0.000 0.800 537 E CB 1.645 31.176 29.700 -0.282 0.000 1.303 537 E HN 0.581 nan 8.360 nan 0.000 0.397 538 Y N -0.150 120.134 120.300 -0.026 0.000 2.597 538 Y HA 0.696 5.246 4.550 0.000 0.000 0.340 538 Y C -0.489 175.589 175.900 0.296 0.000 1.097 538 Y CA -1.032 57.087 58.100 0.033 0.000 1.037 538 Y CB 0.964 39.306 38.460 -0.196 0.000 1.305 538 Y HN 0.634 nan 8.280 nan 0.000 0.463 539 A N 2.323 125.266 122.820 0.205 0.000 2.237 539 A HA -0.249 4.071 4.320 0.000 0.000 0.281 539 A C -0.326 177.416 177.584 0.263 0.000 1.414 539 A CA 0.912 53.045 52.037 0.161 0.000 0.733 539 A CB -2.581 16.392 19.000 -0.044 0.000 1.168 539 A HN 1.177 nan 8.150 nan 0.000 0.347 540 H N 0.786 120.013 119.070 0.262 0.000 3.226 540 H HA 0.210 4.766 4.556 0.000 0.000 0.260 540 H C 1.230 176.607 175.328 0.082 0.000 0.967 540 H CA 0.651 56.849 56.048 0.250 0.000 1.435 540 H CB 0.423 30.213 29.762 0.046 0.000 1.533 540 H HN 0.877 nan 8.280 nan 0.000 0.525 541 A N 6.485 129.216 122.820 -0.148 0.000 2.840 541 A HA 0.051 4.371 4.320 0.000 0.000 0.269 541 A C 0.851 178.244 177.584 -0.319 0.000 1.439 541 A CA -0.381 51.522 52.037 -0.224 0.000 1.083 541 A CB -0.525 18.346 19.000 -0.215 0.000 1.019 541 A HN 0.784 nan 8.150 nan 0.000 0.607 542 M N 1.580 120.932 119.600 -0.415 0.000 2.341 542 M HA 0.388 4.868 4.480 0.000 0.000 0.336 542 M C 1.122 177.200 176.300 -0.371 0.000 1.489 542 M CA 1.322 56.380 55.300 -0.403 0.000 1.278 542 M CB -0.489 31.876 32.600 -0.391 0.000 1.657 542 M HN 0.818 nan 8.290 nan 0.000 0.455 543 G N 4.540 113.117 108.800 -0.373 0.000 2.536 543 G HA2 -0.354 3.607 3.960 0.000 0.000 0.280 543 G HA3 -0.354 3.607 3.960 0.000 0.000 0.280 543 G C -0.178 174.244 174.900 -0.796 0.000 1.152 543 G CA 0.258 45.006 45.100 -0.586 0.000 0.970 543 G HN 0.778 nan 8.290 nan 0.000 0.549 544 N N 1.502 119.635 118.700 -0.944 0.000 2.719 544 N HA 0.596 5.336 4.740 0.000 0.000 0.243 544 N C -0.060 175.171 175.510 -0.466 0.000 1.104 544 N CA 0.848 53.439 53.050 -0.766 0.000 0.981 544 N CB 0.511 38.526 38.487 -0.787 0.000 1.290 544 N HN 0.627 nan 8.380 nan 0.000 0.513 545 S N 1.259 116.761 115.700 -0.329 0.000 2.971 545 S HA 0.584 5.054 4.470 0.000 0.000 0.320 545 S C -0.197 174.304 174.600 -0.166 0.000 1.111 545 S CA -0.469 57.595 58.200 -0.226 0.000 0.870 545 S CB 0.524 63.614 63.200 -0.183 0.000 1.331 545 S HN 0.411 nan 8.310 nan 0.000 0.635 546 L N 0.239 121.400 121.223 -0.103 0.000 4.236 546 L HA -0.084 4.256 4.340 0.000 0.000 0.399 546 L C 0.416 177.299 176.870 0.021 0.000 1.146 546 L CA 0.751 55.553 54.840 -0.062 0.000 0.947 546 L CB -1.721 40.200 42.059 -0.230 0.000 2.149 546 L HN 0.681 nan 8.230 nan 0.000 0.705 547 G N -0.644 108.149 108.800 -0.012 0.000 2.396 547 G HA2 0.506 4.466 3.960 0.000 0.000 0.292 547 G HA3 0.506 4.466 3.960 0.000 0.000 0.292 547 G C 1.139 176.077 174.900 0.064 0.000 1.106 547 G CA 0.344 45.420 45.100 -0.041 0.000 1.055 547 G HN 1.177 nan 8.290 nan 0.000 0.424 548 G N 2.242 111.120 108.800 0.130 0.000 2.367 548 G HA2 -0.258 3.702 3.960 0.000 0.000 0.181 548 G HA3 -0.258 3.702 3.960 0.000 0.000 0.181 548 G C 1.046 176.146 174.900 0.334 0.000 1.000 548 G CA 0.419 45.634 45.100 0.192 0.000 0.693 548 G HN 0.551 nan 8.290 nan 0.000 0.480 549 F N 2.393 122.481 119.950 0.231 0.000 2.063 549 F HA -0.156 4.371 4.527 0.000 0.000 0.296 549 F C 2.819 178.831 175.800 0.354 0.000 1.093 549 F CA 3.203 61.408 58.000 0.342 0.000 1.229 549 F CB -0.612 38.519 39.000 0.219 0.000 0.971 549 F HN 0.399 nan 8.300 nan 0.000 0.491 550 A N -0.811 122.210 122.820 0.335 0.000 2.024 550 A HA -0.218 4.102 4.320 0.000 0.000 0.220 550 A C 2.296 179.916 177.584 0.060 0.000 1.164 550 A CA 1.625 53.775 52.037 0.189 0.000 0.643 550 A CB -0.687 18.434 19.000 0.202 0.000 0.806 550 A HN 0.429 nan 8.150 nan 0.000 0.451 551 K N -1.638 118.778 120.400 0.027 0.000 2.148 551 K HA -0.139 4.181 4.320 0.000 0.000 0.204 551 K C 1.657 178.087 176.600 -0.284 0.000 1.050 551 K CA 1.429 57.657 56.287 -0.099 0.000 0.942 551 K CB -0.252 32.166 32.500 -0.137 0.000 0.724 551 K HN 0.637 nan 8.250 nan 0.000 0.446 552 Y N -0.462 119.612 120.300 -0.377 0.000 2.109 552 Y HA -0.210 4.340 4.550 0.000 0.000 0.281 552 Y C 1.990 177.123 175.900 -1.278 0.000 1.113 552 Y CA 1.384 58.948 58.100 -0.893 0.000 1.098 552 Y CB -0.825 37.065 38.460 -0.950 0.000 0.996 552 Y HN 0.101 nan 8.280 nan 0.000 0.485 553 W N 0.837 121.720 121.300 -0.694 0.000 2.462 553 W HA -0.210 4.450 4.660 0.000 0.000 0.261 553 W C 2.427 178.766 176.519 -0.300 0.000 1.210 553 W CA 1.739 58.771 57.345 -0.521 0.000 1.175 553 W CB -0.335 28.914 29.460 -0.351 0.000 1.137 553 W HN 0.272 nan 8.180 nan 0.000 0.599 554 Q N -0.401 119.285 119.800 -0.190 0.000 2.349 554 Q HA 0.007 4.347 4.340 0.000 0.000 0.209 554 Q C 2.231 178.190 176.000 -0.067 0.000 0.920 554 Q CA 1.029 56.792 55.803 -0.067 0.000 0.901 554 Q CB -0.131 28.587 28.738 -0.033 0.000 1.021 554 Q HN 0.160 nan 8.270 nan 0.000 0.519 555 A N 0.820 123.519 122.820 -0.200 0.000 1.855 555 A HA -0.129 4.191 4.320 0.000 0.000 0.215 555 A C 1.666 179.282 177.584 0.052 0.000 1.191 555 A CA 1.076 53.053 52.037 -0.100 0.000 0.613 555 A CB -0.834 18.004 19.000 -0.270 0.000 0.829 555 A HN 0.417 nan 8.150 nan 0.000 0.442 556 F N 0.300 120.109 119.950 -0.235 0.000 2.087 556 F HA -0.185 4.342 4.527 0.000 0.000 0.299 556 F C 2.459 178.187 175.800 -0.120 0.000 1.100 556 F CA 1.464 59.285 58.000 -0.299 0.000 1.226 556 F CB -1.055 37.540 39.000 -0.674 0.000 0.983 556 F HN 0.185 nan 8.300 nan 0.000 0.479 557 R N -0.402 120.166 120.500 0.112 0.000 2.235 557 R HA -0.100 4.240 4.340 0.000 0.000 0.213 557 R C 2.079 178.429 176.300 0.084 0.000 1.059 557 R CA 0.732 56.890 56.100 0.097 0.000 0.997 557 R CB -0.283 30.069 30.300 0.086 0.000 0.884 557 R HN 0.422 nan 8.270 nan 0.000 0.462 558 Q N -0.530 119.348 119.800 0.131 0.000 2.373 558 Q HA 0.034 4.374 4.340 0.000 0.000 0.210 558 Q C -0.520 175.484 176.000 0.008 0.000 0.913 558 Q CA 0.459 56.311 55.803 0.081 0.000 0.911 558 Q CB 0.618 29.435 28.738 0.132 0.000 1.040 558 Q HN 0.190 nan 8.270 nan 0.000 0.521 559 Y N 0.292 120.590 120.300 -0.004 0.000 2.353 559 Y HA 0.246 4.796 4.550 0.000 0.000 0.340 559 Y C -1.746 174.141 175.900 -0.022 0.000 0.972 559 Y CA -2.638 55.457 58.100 -0.008 0.000 1.157 559 Y CB 1.285 39.745 38.460 -0.000 0.000 1.157 559 Y HN 0.114 nan 8.280 nan 0.000 0.495 560 P HA -0.143 nan 4.420 nan 0.000 0.216 560 P C 1.274 178.583 177.300 0.014 0.000 1.150 560 P CA 1.555 64.665 63.100 0.017 0.000 0.837 560 P CB 0.344 32.038 31.700 -0.010 0.000 0.786 561 R N -1.059 119.468 120.500 0.046 0.000 2.310 561 R HA 0.159 4.499 4.340 0.000 0.000 0.202 561 R C 0.255 176.538 176.300 -0.028 0.000 0.933 561 R CA 0.082 56.188 56.100 0.010 0.000 1.054 561 R CB -0.296 30.021 30.300 0.029 0.000 0.985 561 R HN 0.277 nan 8.270 nan 0.000 0.489 562 L N 1.784 123.000 121.223 -0.012 0.000 2.264 562 L HA 0.224 4.564 4.340 0.000 0.000 0.287 562 L C 0.442 177.154 176.870 -0.263 0.000 1.039 562 L CA 0.010 54.779 54.840 -0.119 0.000 0.829 562 L CB 1.476 43.539 42.059 0.007 0.000 1.211 562 L HN -0.038 nan 8.230 nan 0.000 0.427 563 Q N 3.021 122.588 119.800 -0.387 0.000 2.206 563 Q HA 0.408 4.748 4.340 0.000 0.000 0.265 563 Q C 0.639 176.260 176.000 -0.632 0.000 0.866 563 Q CA -0.103 55.460 55.803 -0.400 0.000 1.073 563 Q CB 1.287 29.886 28.738 -0.231 0.000 1.165 563 Q HN 0.928 nan 8.270 nan 0.000 0.465 564 G N -0.475 107.546 108.800 -1.298 0.000 2.342 564 G HA2 0.223 4.183 3.960 0.000 0.000 0.220 564 G HA3 0.223 4.183 3.960 0.000 0.000 0.220 564 G C -0.461 173.634 174.900 -1.343 0.000 1.243 564 G CA -0.656 43.548 45.100 -1.493 0.000 1.083 564 G HN 0.577 nan 8.290 nan 0.000 0.500 565 G N -2.251 106.088 108.800 -0.768 0.000 2.320 565 G HA2 0.645 4.605 3.960 0.000 0.000 0.296 565 G HA3 0.645 4.605 3.960 0.000 0.000 0.296 565 G C -1.963 172.866 174.900 -0.118 0.000 1.306 565 G CA -0.258 44.596 45.100 -0.409 0.000 0.836 565 G HN 1.232 nan 8.290 nan 0.000 0.517 566 F N 0.416 120.601 119.950 0.393 0.000 2.499 566 F HA 0.539 5.066 4.527 0.000 0.000 0.333 566 F C 0.597 176.679 175.800 0.471 0.000 1.138 566 F CA -0.828 57.426 58.000 0.424 0.000 0.945 566 F CB 2.140 41.296 39.000 0.260 0.000 1.181 566 F HN 0.281 nan 8.300 nan 0.000 0.435 567 V N 3.313 123.527 119.914 0.500 0.000 2.740 567 V HA -0.096 4.024 4.120 0.000 0.000 0.303 567 V C -0.320 175.965 176.094 0.317 0.000 1.054 567 V CA -0.268 62.161 62.300 0.215 0.000 1.106 567 V CB 0.889 32.847 31.823 0.226 0.000 0.957 567 V HN 0.792 nan 8.190 nan 0.000 0.486 568 W N 6.746 128.153 121.300 0.178 0.000 2.296 568 W HA 0.479 5.139 4.660 0.000 0.000 0.316 568 W C -0.935 175.657 176.519 0.123 0.000 1.022 568 W CA -0.696 56.794 57.345 0.242 0.000 1.324 568 W CB 1.335 31.077 29.460 0.470 0.000 1.227 568 W HN 0.923 nan 8.180 nan 0.000 0.409 569 D N 2.424 122.474 120.400 -0.584 0.000 2.895 569 D HA 0.125 4.765 4.640 0.000 0.000 0.320 569 D C 0.745 176.830 176.300 -0.358 0.000 1.249 569 D CA -0.566 53.010 54.000 -0.706 0.000 0.997 569 D CB 0.245 40.024 40.800 -1.702 0.000 1.430 569 D HN 0.368 nan 8.370 nan 0.000 0.558 570 W N 0.470 121.462 121.300 -0.514 0.000 2.352 570 W HA 0.053 4.713 4.660 0.000 0.000 0.322 570 W C 0.201 176.482 176.519 -0.395 0.000 1.208 570 W CA 1.915 59.009 57.345 -0.419 0.000 1.286 570 W CB 0.145 29.395 29.460 -0.350 0.000 1.167 570 W HN 0.299 nan 8.180 nan 0.000 0.469 571 V N -0.760 118.881 119.914 -0.456 0.000 3.046 571 V HA 0.401 4.521 4.120 0.000 0.000 0.316 571 V C -0.555 175.298 176.094 -0.401 0.000 1.104 571 V CA -1.148 60.850 62.300 -0.503 0.000 1.006 571 V CB 1.452 33.097 31.823 -0.298 0.000 1.058 571 V HN -0.040 nan 8.190 nan 0.000 0.440 572 D N 1.676 121.861 120.400 -0.358 0.000 2.302 572 D HA 0.189 4.829 4.640 0.000 0.000 0.248 572 D C -0.265 175.821 176.300 -0.356 0.000 1.094 572 D CA -0.069 53.754 54.000 -0.296 0.000 0.897 572 D CB 1.720 42.423 40.800 -0.162 0.000 1.200 572 D HN 0.646 nan 8.370 nan 0.000 0.429 573 Q N 1.090 120.616 119.800 -0.457 0.000 3.170 573 Q HA 0.106 4.446 4.340 0.000 0.000 0.346 573 Q C -0.114 175.846 176.000 -0.067 0.000 1.333 573 Q CA -0.284 55.077 55.803 -0.738 0.000 0.958 573 Q CB 0.197 28.524 28.738 -0.685 0.000 1.600 573 Q HN 0.368 nan 8.270 nan 0.000 0.482 574 S N -0.272 115.489 115.700 0.103 0.000 2.578 574 S HA 0.642 5.112 4.470 0.000 0.000 0.283 574 S C -0.086 174.742 174.600 0.380 0.000 1.195 574 S CA -0.806 57.583 58.200 0.314 0.000 1.050 574 S CB 1.546 64.870 63.200 0.207 0.000 1.012 574 S HN 0.308 nan 8.310 nan 0.000 0.511 575 L N 1.488 122.863 121.223 0.253 0.000 2.313 575 L HA 0.600 4.940 4.340 0.000 0.000 0.268 575 L C -0.381 176.419 176.870 -0.117 0.000 1.010 575 L CA -1.109 53.747 54.840 0.028 0.000 0.814 575 L CB 1.367 43.346 42.059 -0.134 0.000 1.304 575 L HN 0.609 nan 8.230 nan 0.000 0.441 576 I N 1.578 122.015 120.570 -0.221 0.000 2.321 576 I HA 0.303 4.473 4.170 0.000 0.000 0.291 576 I C -0.048 175.677 176.117 -0.654 0.000 0.998 576 I CA -0.355 60.679 61.300 -0.443 0.000 1.227 576 I CB 1.415 39.188 38.000 -0.377 0.000 1.368 576 I HN 0.550 nan 8.210 nan 0.000 0.466 577 K N 4.965 124.661 120.400 -1.174 0.000 2.303 577 K HA 0.633 4.953 4.320 0.000 0.000 0.233 577 K C -1.663 174.188 176.600 -1.249 0.000 1.046 577 K CA -0.803 54.707 56.287 -1.296 0.000 0.895 577 K CB 2.072 33.392 32.500 -1.966 0.000 1.220 577 K HN 0.279 nan 8.250 nan 0.000 0.470 578 Y N 0.624 120.744 120.300 -0.299 0.000 2.421 578 Y HA 0.109 4.659 4.550 0.000 0.000 0.339 578 Y C -0.302 175.801 175.900 0.340 0.000 0.996 578 Y CA -1.352 56.808 58.100 0.099 0.000 1.046 578 Y CB 1.358 39.819 38.460 0.001 0.000 1.226 578 Y HN 0.668 nan 8.280 nan 0.000 0.445 579 D N 0.378 121.069 120.400 0.484 0.000 2.398 579 D HA 0.045 4.685 4.640 0.000 0.000 0.247 579 D C 0.719 177.120 176.300 0.169 0.000 1.227 579 D CA -0.280 53.864 54.000 0.241 0.000 0.980 579 D CB 0.714 41.583 40.800 0.115 0.000 1.106 579 D HN 0.665 nan 8.370 nan 0.000 0.493 580 E N -0.567 119.686 120.200 0.087 0.000 2.233 580 E HA -0.207 4.143 4.350 0.000 0.000 0.199 580 E C 0.891 177.519 176.600 0.047 0.000 1.004 580 E CA 1.023 57.453 56.400 0.051 0.000 0.819 580 E CB -0.258 29.454 29.700 0.020 0.000 0.738 580 E HN 0.444 nan 8.360 nan 0.000 0.478 581 N N -0.149 118.589 118.700 0.064 0.000 2.398 581 N HA 0.005 4.745 4.740 0.000 0.000 0.188 581 N C 0.925 176.478 175.510 0.072 0.000 1.122 581 N CA 0.815 53.897 53.050 0.054 0.000 0.866 581 N CB 1.092 39.609 38.487 0.051 0.000 0.970 581 N HN 0.206 nan 8.380 nan 0.000 0.462 582 G N 1.460 110.328 108.800 0.113 0.000 2.198 582 G HA2 -0.243 3.717 3.960 0.000 0.000 0.257 582 G HA3 -0.243 3.717 3.960 0.000 0.000 0.257 582 G C -0.321 174.779 174.900 0.333 0.000 1.042 582 G CA -0.395 44.790 45.100 0.142 0.000 0.791 582 G HN 0.296 nan 8.290 nan 0.000 0.502 583 N N 1.280 120.165 118.700 0.308 0.000 2.499 583 N HA 0.368 5.108 4.740 0.000 0.000 0.281 583 N C -2.420 173.259 175.510 0.281 0.000 1.098 583 N CA -1.096 52.117 53.050 0.271 0.000 0.979 583 N CB 1.624 40.209 38.487 0.163 0.000 1.121 583 N HN 0.121 nan 8.380 nan 0.000 0.466 584 P HA 0.145 nan 4.420 nan 0.000 0.271 584 P C -0.607 176.590 177.300 -0.171 0.000 1.218 584 P CA -0.008 62.837 63.100 -0.425 0.000 0.780 584 P CB 0.391 31.900 31.700 -0.318 0.000 0.901 585 W N 0.229 121.216 121.300 -0.520 0.000 4.020 585 W HA 0.221 4.881 4.660 0.000 0.000 0.293 585 W C -1.479 174.833 176.519 -0.345 0.000 1.236 585 W CA -0.811 56.285 57.345 -0.416 0.000 1.265 585 W CB -0.277 28.831 29.460 -0.587 0.000 1.248 585 W HN 0.185 nan 8.180 nan 0.000 0.501 586 S N 2.727 118.357 115.700 -0.117 0.000 2.629 586 S HA 0.348 4.818 4.470 0.000 0.000 0.302 586 S C 0.568 175.180 174.600 0.021 0.000 1.244 586 S CA 0.646 58.817 58.200 -0.048 0.000 1.098 586 S CB 0.344 63.622 63.200 0.130 0.000 0.858 586 S HN 0.676 nan 8.310 nan 0.000 0.502 587 A N 2.949 125.681 122.820 -0.146 0.000 2.269 587 A HA 0.905 5.225 4.320 0.000 0.000 0.327 587 A C -0.420 177.418 177.584 0.422 0.000 1.112 587 A CA -0.691 51.359 52.037 0.022 0.000 0.865 587 A CB 0.640 19.465 19.000 -0.291 0.000 1.227 587 A HN 0.950 nan 8.150 nan 0.000 0.498 588 Y N -2.225 118.379 120.300 0.506 0.000 2.967 588 Y HA 0.661 5.211 4.550 0.000 0.000 0.311 588 Y C 0.397 176.581 175.900 0.473 0.000 1.555 588 Y CA -1.490 56.862 58.100 0.420 0.000 1.084 588 Y CB 0.025 38.577 38.460 0.153 0.000 1.508 588 Y HN 1.142 nan 8.280 nan 0.000 0.457 589 G N 0.740 109.908 108.800 0.613 0.000 2.093 589 G HA2 0.387 4.347 3.960 0.000 0.000 0.257 589 G HA3 0.387 4.347 3.960 0.000 0.000 0.257 589 G C 1.052 176.302 174.900 0.583 0.000 1.004 589 G CA 0.853 46.260 45.100 0.513 0.000 0.949 589 G HN 2.110 nan 8.290 nan 0.000 0.400 590 G N 2.887 112.017 108.800 0.550 0.000 2.320 590 G HA2 -0.319 3.641 3.960 0.000 0.000 0.242 590 G HA3 -0.319 3.641 3.960 0.000 0.000 0.242 590 G C 0.949 176.104 174.900 0.425 0.000 1.033 590 G CA 0.646 46.012 45.100 0.443 0.000 0.620 590 G HN 0.686 nan 8.290 nan 0.000 0.517 591 D N 0.009 120.675 120.400 0.443 0.000 2.417 591 D HA 0.009 4.649 4.640 0.000 0.000 0.225 591 D C 1.309 177.572 176.300 -0.063 0.000 0.983 591 D CA 0.806 54.928 54.000 0.204 0.000 0.949 591 D CB -0.289 40.600 40.800 0.149 0.000 0.879 591 D HN 0.512 nan 8.370 nan 0.000 0.520 592 F N -1.173 118.891 119.950 0.189 0.000 2.706 592 F HA 0.314 4.841 4.527 0.000 0.000 0.313 592 F C 1.862 177.741 175.800 0.131 0.000 1.096 592 F CA -0.006 58.066 58.000 0.119 0.000 1.219 592 F CB 0.831 39.883 39.000 0.087 0.000 1.051 592 F HN 0.002 nan 8.300 nan 0.000 0.568 593 G N 0.628 109.603 108.800 0.291 0.000 2.157 593 G HA2 -0.249 3.711 3.960 0.000 0.000 0.248 593 G HA3 -0.249 3.711 3.960 0.000 0.000 0.248 593 G C -0.222 174.828 174.900 0.249 0.000 0.979 593 G CA 0.044 45.277 45.100 0.223 0.000 0.650 593 G HN 0.423 nan 8.290 nan 0.000 0.529 594 D N 1.255 121.854 120.400 0.333 0.000 2.346 594 D HA 0.378 5.018 4.640 0.000 0.000 0.260 594 D C -0.196 176.256 176.300 0.253 0.000 1.252 594 D CA 0.505 54.694 54.000 0.316 0.000 0.895 594 D CB 0.920 41.968 40.800 0.413 0.000 1.097 594 D HN 0.094 nan 8.370 nan 0.000 0.489 595 T N 3.208 117.879 114.554 0.196 0.000 2.886 595 T HA 0.489 4.839 4.350 0.000 0.000 0.292 595 T C -2.238 172.530 174.700 0.114 0.000 1.012 595 T CA -1.063 61.124 62.100 0.146 0.000 0.982 595 T CB 2.029 70.974 68.868 0.128 0.000 1.018 595 T HN 0.378 nan 8.240 nan 0.000 0.451 596 P HA 0.487 nan 4.420 nan 0.000 0.281 596 P C -0.998 176.332 177.300 0.050 0.000 1.264 596 P CA -0.780 62.354 63.100 0.056 0.000 0.824 596 P CB 0.960 32.664 31.700 0.006 0.000 1.092 597 N N -0.722 118.019 118.700 0.069 0.000 2.629 597 N HA 0.232 4.972 4.740 0.000 0.000 0.279 597 N C -1.174 174.368 175.510 0.053 0.000 1.344 597 N CA -0.565 52.535 53.050 0.083 0.000 0.789 597 N CB 1.726 40.361 38.487 0.248 0.000 1.508 597 N HN 0.223 nan 8.380 nan 0.000 0.516 598 D N -0.021 120.452 120.400 0.123 0.000 2.957 598 D HA 0.153 4.793 4.640 0.000 0.000 0.352 598 D C 0.532 177.070 176.300 0.395 0.000 1.352 598 D CA -0.208 53.910 54.000 0.197 0.000 0.831 598 D CB 1.019 41.822 40.800 0.005 0.000 1.147 598 D HN 0.603 nan 8.370 nan 0.000 0.467 599 R N 0.533 121.204 120.500 0.285 0.000 3.420 599 R HA -0.381 3.959 4.340 0.000 0.000 0.609 599 R C 1.127 177.311 176.300 -0.192 0.000 0.241 599 R CA 1.922 58.122 56.100 0.167 0.000 1.874 599 R CB -1.341 28.991 30.300 0.052 0.000 0.810 599 R HN 0.170 nan 8.270 nan 0.000 0.638 600 Q N 0.257 119.654 119.800 -0.672 0.000 2.482 600 Q HA 0.117 4.457 4.340 0.000 0.000 0.209 600 Q C 1.523 177.187 176.000 -0.559 0.000 0.961 600 Q CA 0.968 56.231 55.803 -0.901 0.000 0.945 600 Q CB -0.049 27.987 28.738 -1.170 0.000 1.012 600 Q HN 0.436 nan 8.270 nan 0.000 0.515 601 F N 0.971 120.744 119.950 -0.295 0.000 2.641 601 F HA -0.100 4.427 4.527 0.000 0.000 0.298 601 F C 1.662 177.361 175.800 -0.167 0.000 1.146 601 F CA 0.338 58.271 58.000 -0.111 0.000 1.464 601 F CB -0.045 38.983 39.000 0.047 0.000 1.101 601 F HN 0.383 nan 8.300 nan 0.000 0.585 602 C N -1.661 117.370 119.300 -0.449 0.000 2.626 602 C HA 0.322 4.782 4.460 0.000 0.000 0.266 602 C C 0.876 175.630 174.990 -0.394 0.000 1.317 602 C CA -0.527 58.096 59.018 -0.658 0.000 1.716 602 C CB -1.747 25.104 27.740 -1.482 0.000 1.819 602 C HN 0.167 nan 8.230 nan 0.000 0.578 603 M N 3.078 122.487 119.600 -0.318 0.000 2.027 603 M HA 0.350 4.830 4.480 0.000 0.000 0.329 603 M C -0.305 175.831 176.300 -0.274 0.000 0.971 603 M CA 0.172 55.312 55.300 -0.267 0.000 0.933 603 M CB 0.530 33.010 32.600 -0.200 0.000 1.392 603 M HN 0.196 nan 8.290 nan 0.000 0.394 604 N N 1.125 119.659 118.700 -0.277 0.000 2.143 604 N HA 0.141 4.881 4.740 0.000 0.000 0.229 604 N C 0.465 175.728 175.510 -0.412 0.000 1.294 604 N CA -0.097 52.739 53.050 -0.356 0.000 0.883 604 N CB 1.116 39.474 38.487 -0.214 0.000 1.148 604 N HN 0.699 nan 8.380 nan 0.000 0.511 605 G N 0.303 108.836 108.800 -0.444 0.000 2.636 605 G HA2 0.314 4.274 3.960 0.000 0.000 0.246 605 G HA3 0.314 4.274 3.960 0.000 0.000 0.246 605 G C 0.760 175.226 174.900 -0.723 0.000 1.216 605 G CA -0.360 44.388 45.100 -0.588 0.000 0.854 605 G HN 0.175 nan 8.290 nan 0.000 0.572 606 L N 0.123 120.878 121.223 -0.780 0.000 2.607 606 L HA 0.263 4.603 4.340 0.000 0.000 0.228 606 L C 0.413 176.635 176.870 -1.080 0.000 1.123 606 L CA -0.015 54.391 54.840 -0.724 0.000 0.890 606 L CB 0.053 41.842 42.059 -0.449 0.000 1.103 606 L HN 0.414 nan 8.230 nan 0.000 0.468 607 V N -5.111 113.985 119.914 -1.362 0.000 3.048 607 V HA 0.457 4.577 4.120 0.000 0.000 0.303 607 V C -0.552 175.002 176.094 -0.900 0.000 1.214 607 V CA -1.172 60.428 62.300 -1.167 0.000 0.984 607 V CB 1.487 32.775 31.823 -0.891 0.000 1.054 607 V HN -0.081 nan 8.190 nan 0.000 0.430 608 F N 2.599 122.366 119.950 -0.304 0.000 2.553 608 F HA 0.557 5.084 4.527 0.000 0.000 0.356 608 F C 1.932 177.624 175.800 -0.180 0.000 1.142 608 F CA 0.706 58.653 58.000 -0.089 0.000 1.322 608 F CB 0.875 39.875 39.000 0.000 0.000 1.126 608 F HN 0.877 nan 8.300 nan 0.000 0.599 609 A N 1.308 124.165 122.820 0.062 0.000 2.093 609 A HA -0.267 4.053 4.320 0.000 0.000 0.222 609 A C 1.627 179.177 177.584 -0.058 0.000 1.162 609 A CA 1.995 54.028 52.037 -0.007 0.000 0.655 609 A CB -1.148 17.881 19.000 0.049 0.000 0.805 609 A HN 0.856 nan 8.150 nan 0.000 0.461 610 D N -2.997 117.397 120.400 -0.010 0.000 2.363 610 D HA 0.143 4.783 4.640 0.000 0.000 0.220 610 D C 0.678 176.963 176.300 -0.024 0.000 0.994 610 D CA 0.243 54.215 54.000 -0.046 0.000 0.890 610 D CB -0.062 40.712 40.800 -0.042 0.000 0.906 610 D HN 0.209 nan 8.370 nan 0.000 0.530 611 R N -0.936 119.547 120.500 -0.029 0.000 3.644 611 R HA -0.104 4.236 4.340 0.000 0.000 0.308 611 R C -0.761 175.538 176.300 -0.002 0.000 1.161 611 R CA 1.002 57.073 56.100 -0.048 0.000 0.819 611 R CB -3.204 27.102 30.300 0.011 0.000 1.363 611 R HN 0.536 nan 8.270 nan 0.000 0.479 612 T N -2.157 112.443 114.554 0.075 0.000 2.794 612 T HA 0.747 5.097 4.350 0.000 0.000 0.280 612 T C -2.458 172.388 174.700 0.244 0.000 0.987 612 T CA -2.267 59.922 62.100 0.149 0.000 0.993 612 T CB 2.605 71.541 68.868 0.115 0.000 0.939 612 T HN -0.197 nan 8.240 nan 0.000 0.449 613 P HA 0.316 nan 4.420 nan 0.000 0.274 613 P C -0.425 176.957 177.300 0.137 0.000 1.231 613 P CA -0.358 62.746 63.100 0.005 0.000 0.790 613 P CB 0.338 32.035 31.700 -0.005 0.000 0.951 614 H N 2.306 121.189 119.070 -0.311 0.000 2.505 614 H HA 0.214 4.770 4.556 0.000 0.000 0.355 614 H C -1.330 173.897 175.328 -0.168 0.000 1.179 614 H CA -2.127 53.732 56.048 -0.315 0.000 1.343 614 H CB -0.394 29.144 29.762 -0.373 0.000 1.501 614 H HN 0.281 nan 8.280 nan 0.000 0.569 615 P HA 0.007 nan 4.420 nan 0.000 0.242 615 P C 0.688 177.972 177.300 -0.028 0.000 1.197 615 P CA 0.819 63.899 63.100 -0.034 0.000 0.765 615 P CB 0.057 31.722 31.700 -0.059 0.000 0.936 616 A N 0.114 122.917 122.820 -0.029 0.000 1.970 616 A HA -0.083 4.237 4.320 0.000 0.000 0.216 616 A C 1.985 179.498 177.584 -0.119 0.000 1.170 616 A CA 0.678 52.658 52.037 -0.094 0.000 0.645 616 A CB -1.427 17.496 19.000 -0.129 0.000 0.816 616 A HN 0.150 nan 8.150 nan 0.000 0.447 617 L N 0.385 121.560 121.223 -0.080 0.000 2.197 617 L HA -0.168 4.172 4.340 0.000 0.000 0.215 617 L C 2.243 179.132 176.870 0.031 0.000 1.095 617 L CA 2.676 57.504 54.840 -0.021 0.000 0.764 617 L CB -0.846 41.202 42.059 -0.019 0.000 0.897 617 L HN 0.405 nan 8.230 nan 0.000 0.436 618 T N -1.688 112.884 114.554 0.030 0.000 2.896 618 T HA -0.114 4.236 4.350 0.000 0.000 0.263 618 T C 1.704 176.480 174.700 0.128 0.000 1.050 618 T CA 1.085 63.253 62.100 0.113 0.000 1.140 618 T CB -0.100 68.829 68.868 0.101 0.000 0.877 618 T HN 0.255 nan 8.240 nan 0.000 0.457 619 E N 1.654 121.869 120.200 0.026 0.000 2.153 619 E HA 0.012 4.362 4.350 0.000 0.000 0.194 619 E C 2.149 178.719 176.600 -0.051 0.000 0.988 619 E CA 1.162 57.575 56.400 0.022 0.000 0.811 619 E CB -0.488 29.177 29.700 -0.058 0.000 0.746 619 E HN 0.457 nan 8.360 nan 0.000 0.466 620 A N 1.028 123.719 122.820 -0.214 0.000 1.841 620 A HA -0.187 4.133 4.320 0.000 0.000 0.214 620 A C 2.157 179.611 177.584 -0.216 0.000 1.195 620 A CA 1.909 53.794 52.037 -0.254 0.000 0.611 620 A CB -0.681 18.175 19.000 -0.240 0.000 0.835 620 A HN 0.275 nan 8.150 nan 0.000 0.443 621 K N -1.078 119.242 120.400 -0.134 0.000 2.218 621 K HA -0.262 4.058 4.320 0.000 0.000 0.205 621 K C 1.942 178.373 176.600 -0.282 0.000 1.046 621 K CA 1.862 58.053 56.287 -0.159 0.000 0.933 621 K CB -0.346 32.200 32.500 0.075 0.000 0.728 621 K HN 0.786 nan 8.250 nan 0.000 0.454 622 H N -0.602 118.257 119.070 -0.351 0.000 2.370 622 H HA 0.018 4.574 4.556 0.000 0.000 0.304 622 H C 1.676 176.722 175.328 -0.470 0.000 1.055 622 H CA 0.782 56.472 56.048 -0.597 0.000 1.373 622 H CB 0.371 29.843 29.762 -0.483 0.000 1.423 622 H HN 0.220 nan 8.280 nan 0.000 0.533 623 Q N 0.831 120.334 119.800 -0.495 0.000 2.234 623 Q HA -0.113 4.227 4.340 0.000 0.000 0.206 623 Q C 1.644 177.153 176.000 -0.819 0.000 0.980 623 Q CA 1.180 56.686 55.803 -0.495 0.000 0.869 623 Q CB -0.121 28.566 28.738 -0.085 0.000 0.912 623 Q HN 0.678 nan 8.270 nan 0.000 0.436 624 Q N 0.798 120.028 119.800 -0.951 0.000 2.280 624 Q HA 0.033 4.373 4.340 0.000 0.000 0.202 624 Q C -0.066 175.298 176.000 -1.060 0.000 0.903 624 Q CA -0.255 54.819 55.803 -1.215 0.000 0.948 624 Q CB 0.257 28.311 28.738 -1.141 0.000 1.058 624 Q HN 0.465 nan 8.270 nan 0.000 0.493 625 Q N -0.661 118.645 119.800 -0.823 0.000 2.395 625 Q HA -0.010 4.331 4.340 0.000 0.000 0.271 625 Q C -0.237 175.274 176.000 -0.815 0.000 1.026 625 Q CA 0.209 55.585 55.803 -0.712 0.000 0.900 625 Q CB 0.373 28.869 28.738 -0.404 0.000 1.266 625 Q HN 0.124 nan 8.270 nan 0.000 0.430 626 F N 0.019 119.658 119.950 -0.517 0.000 2.710 626 F HA 0.236 4.763 4.527 0.000 0.000 0.298 626 F C 0.013 175.221 175.800 -0.985 0.000 1.137 626 F CA -0.050 57.422 58.000 -0.880 0.000 1.444 626 F CB 0.272 38.395 39.000 -1.461 0.000 1.111 626 F HN 0.370 nan 8.300 nan 0.000 0.580 627 F N 0.237 120.050 119.950 -0.228 0.000 2.492 627 F HA 0.541 5.068 4.527 0.000 0.000 0.327 627 F C 0.015 175.524 175.800 -0.485 0.000 1.079 627 F CA -1.091 56.702 58.000 -0.344 0.000 0.967 627 F CB 1.088 39.898 39.000 -0.317 0.000 1.169 627 F HN -0.291 nan 8.300 nan 0.000 0.472 628 Q N 2.617 122.176 119.800 -0.402 0.000 2.372 628 Q HA 0.511 4.851 4.340 0.000 0.000 0.273 628 Q C -1.652 174.116 176.000 -0.387 0.000 1.078 628 Q CA -0.676 54.948 55.803 -0.298 0.000 0.806 628 Q CB 3.163 31.834 28.738 -0.111 0.000 1.332 628 Q HN 0.500 nan 8.270 nan 0.000 0.435 629 F N 0.208 120.269 119.950 0.185 0.000 2.551 629 F HA 0.604 5.131 4.527 0.000 0.000 0.316 629 F C 0.349 176.370 175.800 0.369 0.000 1.089 629 F CA -0.807 57.377 58.000 0.306 0.000 0.915 629 F CB 1.874 41.167 39.000 0.489 0.000 1.186 629 F HN 0.128 nan 8.300 nan 0.000 0.456 630 R N 1.694 122.473 120.500 0.465 0.000 2.686 630 R HA 0.699 5.039 4.340 0.000 0.000 0.286 630 R C -1.899 174.443 176.300 0.071 0.000 0.969 630 R CA -1.200 55.075 56.100 0.291 0.000 0.898 630 R CB 2.698 33.089 30.300 0.151 0.000 1.183 630 R HN 0.640 nan 8.270 nan 0.000 0.456 631 L N 1.199 122.336 121.223 -0.144 0.000 2.333 631 L HA 0.474 4.814 4.340 0.000 0.000 0.280 631 L C -1.025 175.674 176.870 -0.286 0.000 1.004 631 L CA 0.141 54.682 54.840 -0.498 0.000 0.820 631 L CB 2.038 43.318 42.059 -1.299 0.000 1.247 631 L HN 0.449 nan 8.230 nan 0.000 0.416 632 S N 3.630 119.195 115.700 -0.226 0.000 2.774 632 S HA 0.694 5.164 4.470 0.000 0.000 0.297 632 S C 0.387 174.897 174.600 -0.151 0.000 1.143 632 S CA 0.176 58.287 58.200 -0.149 0.000 1.090 632 S CB 0.506 63.653 63.200 -0.089 0.000 1.019 632 S HN 1.405 nan 8.310 nan 0.000 0.482 633 G N 4.334 113.046 108.800 -0.145 0.000 2.602 633 G HA2 -0.321 3.639 3.960 0.000 0.000 0.310 633 G HA3 -0.321 3.639 3.960 0.000 0.000 0.310 633 G C 0.100 174.899 174.900 -0.169 0.000 1.183 633 G CA 0.960 45.982 45.100 -0.130 0.000 0.979 633 G HN 0.933 nan 8.290 nan 0.000 0.545 634 Q N 0.790 120.497 119.800 -0.156 0.000 2.186 634 Q HA 0.460 4.800 4.340 0.000 0.000 0.241 634 Q C 0.241 176.121 176.000 -0.199 0.000 0.849 634 Q CA 0.564 56.251 55.803 -0.192 0.000 1.053 634 Q CB -0.592 28.032 28.738 -0.190 0.000 1.146 634 Q HN 0.546 nan 8.270 nan 0.000 0.475 635 T N 1.763 116.210 114.554 -0.179 0.000 2.758 635 T HA 0.612 4.962 4.350 0.000 0.000 0.285 635 T C 0.017 174.621 174.700 -0.161 0.000 0.981 635 T CA -0.474 61.540 62.100 -0.143 0.000 0.965 635 T CB 0.915 69.727 68.868 -0.092 0.000 0.927 635 T HN 0.229 nan 8.240 nan 0.000 0.448 636 I N 2.699 123.192 120.570 -0.128 0.000 2.353 636 I HA 0.349 4.519 4.170 0.000 0.000 0.293 636 I C 0.569 176.709 176.117 0.039 0.000 0.992 636 I CA -0.642 60.615 61.300 -0.070 0.000 1.268 636 I CB 1.347 39.347 38.000 -0.001 0.000 1.387 636 I HN 0.602 nan 8.210 nan 0.000 0.478 637 E N 6.358 126.610 120.200 0.087 0.000 2.102 637 E HA 0.397 4.747 4.350 0.000 0.000 0.263 637 E C -1.355 175.318 176.600 0.122 0.000 0.894 637 E CA -0.561 55.891 56.400 0.087 0.000 0.746 637 E CB 1.549 31.283 29.700 0.057 0.000 1.129 637 E HN 0.388 nan 8.360 nan 0.000 0.416 638 V N 3.525 123.486 119.914 0.078 0.000 2.644 638 V HA 0.359 4.479 4.120 0.000 0.000 0.295 638 V C 0.178 176.260 176.094 -0.019 0.000 1.053 638 V CA -0.327 61.962 62.300 -0.020 0.000 0.987 638 V CB 1.749 33.562 31.823 -0.018 0.000 1.006 638 V HN 0.702 nan 8.190 nan 0.000 0.472 639 T N 2.604 117.117 114.554 -0.069 0.000 2.881 639 T HA 0.287 4.637 4.350 0.000 0.000 0.291 639 T C -0.316 174.388 174.700 0.006 0.000 0.990 639 T CA -0.287 61.801 62.100 -0.019 0.000 0.976 639 T CB 1.505 70.349 68.868 -0.039 0.000 0.970 639 T HN 0.725 nan 8.240 nan 0.000 0.438 640 S N 1.920 117.637 115.700 0.029 0.000 2.537 640 S HA 0.245 4.715 4.470 0.000 0.000 0.275 640 S C 0.665 175.170 174.600 -0.159 0.000 1.272 640 S CA -0.417 57.749 58.200 -0.055 0.000 1.050 640 S CB 0.539 63.778 63.200 0.064 0.000 0.961 640 S HN 0.707 nan 8.310 nan 0.000 0.496 641 E N 3.108 123.110 120.200 -0.330 0.000 2.558 641 E HA 0.107 4.457 4.350 0.000 0.000 0.205 641 E C -1.102 175.335 176.600 -0.271 0.000 1.006 641 E CA -0.077 56.178 56.400 -0.241 0.000 0.961 641 E CB 0.411 29.985 29.700 -0.210 0.000 1.044 641 E HN 0.632 nan 8.360 nan 0.000 0.465 642 Y N 0.359 120.518 120.300 -0.235 0.000 2.308 642 Y HA 0.168 4.718 4.550 0.000 0.000 0.329 642 Y C 1.234 176.950 175.900 -0.307 0.000 1.111 642 Y CA -0.285 57.628 58.100 -0.312 0.000 1.179 642 Y CB 0.943 39.218 38.460 -0.309 0.000 1.201 642 Y HN -0.030 nan 8.280 nan 0.000 0.483 643 L N 1.841 122.884 121.223 -0.300 0.000 2.416 643 L HA 0.020 4.360 4.340 0.000 0.000 0.216 643 L C 0.615 177.012 176.870 -0.787 0.000 1.098 643 L CA 0.740 55.159 54.840 -0.701 0.000 0.840 643 L CB 0.018 41.287 42.059 -1.317 0.000 0.981 643 L HN 0.557 nan 8.230 nan 0.000 0.462 644 F N -0.594 119.335 119.950 -0.036 0.000 2.581 644 F HA 0.198 4.725 4.527 0.000 0.000 0.278 644 F C 1.270 177.015 175.800 -0.091 0.000 1.000 644 F CA -0.702 57.252 58.000 -0.078 0.000 1.230 644 F CB -0.041 38.888 39.000 -0.119 0.000 1.008 644 F HN -0.147 nan 8.300 nan 0.000 0.695 645 R N -0.088 120.403 120.500 -0.014 0.000 2.532 645 R HA 0.470 4.810 4.340 0.000 0.000 0.272 645 R C -0.911 175.369 176.300 -0.033 0.000 1.032 645 R CA -0.707 55.335 56.100 -0.096 0.000 1.089 645 R CB 0.602 30.732 30.300 -0.284 0.000 1.098 645 R HN 0.069 nan 8.270 nan 0.000 0.526 646 H N 0.217 119.251 119.070 -0.059 0.000 2.505 646 H HA 0.145 4.701 4.556 0.000 0.000 0.351 646 H C -0.281 175.071 175.328 0.041 0.000 1.151 646 H CA -0.258 55.800 56.048 0.017 0.000 1.339 646 H CB 1.231 31.008 29.762 0.025 0.000 1.483 646 H HN 0.726 nan 8.280 nan 0.000 0.558 647 S N 2.136 117.597 115.700 -0.398 0.000 3.517 647 S HA 0.018 4.488 4.470 0.000 0.000 0.284 647 S C -0.403 174.212 174.600 0.026 0.000 1.260 647 S CA -0.206 57.972 58.200 -0.036 0.000 0.975 647 S CB -0.899 62.312 63.200 0.017 0.000 1.540 647 S HN 0.700 nan 8.310 nan 0.000 0.506 648 D N 0.605 121.075 120.400 0.116 0.000 2.491 648 D HA 0.188 4.828 4.640 0.000 0.000 0.228 648 D C 0.238 176.592 176.300 0.091 0.000 1.183 648 D CA -0.486 53.604 54.000 0.150 0.000 0.827 648 D CB -0.168 40.722 40.800 0.151 0.000 0.989 648 D HN 0.494 nan 8.370 nan 0.000 0.494 649 N N 0.321 119.074 118.700 0.089 0.000 2.609 649 N HA 0.099 4.839 4.740 0.000 0.000 0.251 649 N C -1.667 173.900 175.510 0.094 0.000 1.526 649 N CA -0.159 52.934 53.050 0.072 0.000 0.931 649 N CB 0.302 38.818 38.487 0.048 0.000 1.460 649 N HN -0.041 nan 8.380 nan 0.000 0.526 650 E N 0.214 120.458 120.200 0.073 0.000 2.260 650 E HA 0.454 4.804 4.350 0.000 0.000 0.266 650 E C -1.621 174.981 176.600 0.002 0.000 0.887 650 E CA -0.584 55.837 56.400 0.035 0.000 0.777 650 E CB 1.941 31.630 29.700 -0.018 0.000 1.205 650 E HN 0.094 nan 8.360 nan 0.000 0.414 651 L N 3.122 124.334 121.223 -0.018 0.000 2.346 651 L HA 0.565 4.905 4.340 0.000 0.000 0.276 651 L C -1.494 175.351 176.870 -0.041 0.000 1.006 651 L CA -1.020 53.813 54.840 -0.012 0.000 0.817 651 L CB 1.620 43.657 42.059 -0.037 0.000 1.272 651 L HN 0.594 nan 8.230 nan 0.000 0.421 652 L N 4.796 126.058 121.223 0.065 0.000 2.265 652 L HA 0.447 4.787 4.340 0.000 0.000 0.289 652 L C -0.736 176.303 176.870 0.283 0.000 1.033 652 L CA 0.115 55.037 54.840 0.137 0.000 0.814 652 L CB 0.625 42.803 42.059 0.200 0.000 1.203 652 L HN 0.599 nan 8.230 nan 0.000 0.423 653 H N 5.748 124.894 119.070 0.126 0.000 2.476 653 H HA 0.422 4.978 4.556 0.000 0.000 0.328 653 H C -1.102 174.306 175.328 0.133 0.000 1.073 653 H CA -0.768 55.306 56.048 0.043 0.000 1.229 653 H CB 0.927 30.679 29.762 -0.018 0.000 1.432 653 H HN 0.700 nan 8.280 nan 0.000 0.477 654 W N 4.083 125.487 121.300 0.172 0.000 2.799 654 W HA 0.640 5.300 4.660 0.000 0.000 0.349 654 W C -1.708 174.862 176.519 0.084 0.000 1.100 654 W CA -1.286 56.134 57.345 0.125 0.000 1.174 654 W CB 1.727 31.255 29.460 0.113 0.000 1.427 654 W HN 0.455 nan 8.180 nan 0.000 0.547 655 M N 2.575 122.445 119.600 0.450 0.000 2.465 655 M HA 0.525 5.005 4.480 0.000 0.000 0.284 655 M C -2.473 174.045 176.300 0.363 0.000 1.212 655 M CA -0.505 54.937 55.300 0.237 0.000 0.910 655 M CB 2.478 35.095 32.600 0.028 0.000 1.725 655 M HN 0.279 nan 8.290 nan 0.000 0.477 656 V N 3.183 123.282 119.914 0.309 0.000 2.555 656 V HA 1.002 5.122 4.120 0.000 0.000 0.302 656 V C -0.598 175.598 176.094 0.170 0.000 1.038 656 V CA -0.230 62.235 62.300 0.275 0.000 0.887 656 V CB 1.642 33.646 31.823 0.302 0.000 0.991 656 V HN 0.977 nan 8.190 nan 0.000 0.434 657 A N 4.435 127.365 122.820 0.184 0.000 2.587 657 A HA 0.891 5.211 4.320 0.000 0.000 0.293 657 A C -1.880 175.815 177.584 0.185 0.000 1.087 657 A CA -0.580 51.536 52.037 0.132 0.000 0.692 657 A CB 1.812 20.843 19.000 0.052 0.000 1.291 657 A HN 0.807 nan 8.150 nan 0.000 0.407 658 L N 1.213 122.513 121.223 0.129 0.000 2.316 658 L HA 0.585 4.925 4.340 0.000 0.000 0.280 658 L C -0.750 176.193 176.870 0.122 0.000 1.006 658 L CA 0.194 55.125 54.840 0.152 0.000 0.836 658 L CB 0.664 42.785 42.059 0.104 0.000 1.221 658 L HN 0.752 nan 8.230 nan 0.000 0.418 659 D N 4.788 125.314 120.400 0.209 0.000 2.720 659 D HA -0.183 4.457 4.640 0.000 0.000 0.229 659 D C 1.211 177.476 176.300 -0.058 0.000 1.198 659 D CA 1.678 55.762 54.000 0.140 0.000 0.639 659 D CB -1.038 39.847 40.800 0.142 0.000 1.003 659 D HN 1.156 nan 8.370 nan 0.000 0.411 660 G N -1.033 107.684 108.800 -0.137 0.000 2.217 660 G HA2 -0.369 3.591 3.960 0.000 0.000 0.246 660 G HA3 -0.369 3.591 3.960 0.000 0.000 0.246 660 G C 0.281 175.077 174.900 -0.173 0.000 0.990 660 G CA 0.309 45.247 45.100 -0.269 0.000 0.627 660 G HN 0.486 nan 8.290 nan 0.000 0.522 661 K N 2.237 122.588 120.400 -0.082 0.000 2.262 661 K HA 0.486 4.806 4.320 0.000 0.000 0.282 661 K C -2.505 174.077 176.600 -0.030 0.000 1.066 661 K CA -1.833 54.420 56.287 -0.058 0.000 0.901 661 K CB 1.598 34.083 32.500 -0.026 0.000 1.089 661 K HN 0.063 nan 8.250 nan 0.000 0.476 662 P HA 0.009 nan 4.420 nan 0.000 0.270 662 P C -0.232 177.064 177.300 -0.007 0.000 1.242 662 P CA 0.164 63.243 63.100 -0.034 0.000 0.768 662 P CB 0.607 32.264 31.700 -0.072 0.000 0.820 663 L N 2.058 123.300 121.223 0.031 0.000 2.349 663 L HA 0.433 4.773 4.340 0.000 0.000 0.200 663 L C 1.147 178.046 176.870 0.049 0.000 1.064 663 L CA 0.365 55.230 54.840 0.042 0.000 0.821 663 L CB -0.505 41.593 42.059 0.064 0.000 1.027 663 L HN 0.234 nan 8.230 nan 0.000 0.476 664 A N -0.597 122.280 122.820 0.095 0.000 2.380 664 A HA 0.797 5.117 4.320 0.000 0.000 0.315 664 A C -0.703 176.832 177.584 -0.082 0.000 1.101 664 A CA -0.334 51.773 52.037 0.115 0.000 0.771 664 A CB 1.967 21.168 19.000 0.335 0.000 1.287 664 A HN -0.007 nan 8.150 nan 0.000 0.436 665 S N -1.202 114.250 115.700 -0.414 0.000 2.536 665 S HA 0.815 5.285 4.470 0.000 0.000 0.271 665 S C -0.356 173.472 174.600 -1.287 0.000 1.134 665 S CA 0.123 57.777 58.200 -0.910 0.000 0.897 665 S CB 1.879 64.785 63.200 -0.490 0.000 1.094 665 S HN 1.885 nan 8.310 nan 0.000 0.473 666 G N 1.389 109.023 108.800 -1.944 0.000 2.677 666 G HA2 0.659 4.619 3.960 0.000 0.000 0.291 666 G HA3 0.659 4.619 3.960 0.000 0.000 0.291 666 G C -2.099 172.373 174.900 -0.714 0.000 1.435 666 G CA -0.462 43.947 45.100 -1.151 0.000 0.826 666 G HN 0.526 nan 8.290 nan 0.000 0.491 667 E N -0.388 119.734 120.200 -0.130 0.000 2.263 667 E HA 0.546 4.896 4.350 0.000 0.000 0.268 667 E C -1.428 175.294 176.600 0.205 0.000 0.884 667 E CA -0.574 55.879 56.400 0.088 0.000 0.766 667 E CB 2.923 32.634 29.700 0.019 0.000 1.196 667 E HN 0.255 nan 8.360 nan 0.000 0.416 668 V N 4.300 124.368 119.914 0.258 0.000 2.709 668 V HA 0.391 4.511 4.120 0.000 0.000 0.308 668 V C -2.501 173.681 176.094 0.147 0.000 1.062 668 V CA -2.073 60.347 62.300 0.201 0.000 0.901 668 V CB 2.150 34.107 31.823 0.223 0.000 1.003 668 V HN 0.553 nan 8.190 nan 0.000 0.425 669 P HA 0.308 nan 4.420 nan 0.000 0.281 669 P C -0.398 176.943 177.300 0.067 0.000 1.252 669 P CA -0.256 62.894 63.100 0.084 0.000 0.778 669 P CB 0.681 32.429 31.700 0.080 0.000 0.895 670 L N 2.822 124.062 121.223 0.028 0.000 2.452 670 L HA 0.232 4.572 4.340 0.000 0.000 0.267 670 L C 0.468 177.345 176.870 0.012 0.000 1.188 670 L CA 0.760 55.591 54.840 -0.016 0.000 0.821 670 L CB 0.360 42.340 42.059 -0.133 0.000 1.102 670 L HN 0.466 nan 8.230 nan 0.000 0.470 671 D N 1.613 122.014 120.400 0.003 0.000 2.826 671 D HA 0.313 4.953 4.640 0.000 0.000 0.239 671 D C -1.401 174.890 176.300 -0.016 0.000 1.329 671 D CA -0.192 53.834 54.000 0.044 0.000 0.854 671 D CB 0.718 41.627 40.800 0.181 0.000 1.494 671 D HN 0.066 nan 8.370 nan 0.000 0.540 672 V N 0.587 120.338 119.914 -0.271 0.000 2.680 672 V HA 0.947 5.067 4.120 0.000 0.000 0.309 672 V C 0.711 176.685 176.094 -0.199 0.000 1.052 672 V CA -1.219 61.016 62.300 -0.108 0.000 0.908 672 V CB 1.517 33.381 31.823 0.068 0.000 1.001 672 V HN 0.524 nan 8.190 nan 0.000 0.431 673 A N 4.808 127.691 122.820 0.106 0.000 2.340 673 A HA 0.766 5.086 4.320 0.000 0.000 0.268 673 A C -2.492 175.158 177.584 0.110 0.000 1.100 673 A CA -1.655 50.508 52.037 0.209 0.000 0.803 673 A CB -0.010 19.092 19.000 0.169 0.000 1.043 673 A HN 0.700 nan 8.150 nan 0.000 0.488 674 P HA 0.075 nan 4.420 nan 0.000 0.262 674 P C -0.181 177.123 177.300 0.007 0.000 1.182 674 P CA 0.725 63.850 63.100 0.041 0.000 0.761 674 P CB 0.259 31.956 31.700 -0.004 0.000 0.795 675 Q N -0.678 119.112 119.800 -0.017 0.000 2.416 675 Q HA -0.193 4.147 4.340 0.000 0.000 0.235 675 Q C 0.848 176.848 176.000 -0.001 0.000 0.773 675 Q CA 1.028 56.812 55.803 -0.031 0.000 1.286 675 Q CB -1.917 26.789 28.738 -0.054 0.000 1.556 675 Q HN 0.740 nan 8.270 nan 0.000 0.650 676 G N 0.275 109.092 108.800 0.027 0.000 2.525 676 G HA2 0.559 4.519 3.960 0.000 0.000 0.287 676 G HA3 0.559 4.519 3.960 0.000 0.000 0.287 676 G C -0.418 174.505 174.900 0.038 0.000 1.350 676 G CA -0.455 44.669 45.100 0.040 0.000 1.039 676 G HN -0.011 nan 8.290 nan 0.000 0.513 677 K N -0.749 119.677 120.400 0.043 0.000 2.426 677 K HA 0.449 4.769 4.320 0.000 0.000 0.251 677 K C -1.076 175.552 176.600 0.048 0.000 0.941 677 K CA -0.562 55.749 56.287 0.039 0.000 0.808 677 K CB 2.513 35.030 32.500 0.029 0.000 1.265 677 K HN 0.519 nan 8.250 nan 0.000 0.432 678 Q N 3.594 123.422 119.800 0.046 0.000 2.285 678 Q HA 0.346 4.686 4.340 0.000 0.000 0.269 678 Q C -1.530 174.497 176.000 0.046 0.000 1.030 678 Q CA -0.636 55.196 55.803 0.049 0.000 0.788 678 Q CB 1.303 30.072 28.738 0.052 0.000 1.266 678 Q HN 0.540 nan 8.270 nan 0.000 0.438 679 L N 5.406 126.651 121.223 0.036 0.000 2.292 679 L HA 0.510 4.851 4.340 0.000 0.000 0.284 679 L C -0.446 176.437 176.870 0.021 0.000 1.065 679 L CA -0.574 54.281 54.840 0.023 0.000 0.806 679 L CB 0.953 43.018 42.059 0.010 0.000 1.175 679 L HN 0.633 nan 8.230 nan 0.000 0.431 680 I N 3.035 123.610 120.570 0.009 0.000 2.439 680 I HA 0.257 4.427 4.170 0.000 0.000 0.285 680 I C -0.172 175.908 176.117 -0.061 0.000 1.021 680 I CA -0.370 60.927 61.300 -0.005 0.000 1.091 680 I CB 1.943 39.956 38.000 0.023 0.000 1.242 680 I HN 0.539 nan 8.210 nan 0.000 0.439 681 E N 6.567 126.731 120.200 -0.060 0.000 2.174 681 E HA 0.492 4.842 4.350 0.000 0.000 0.282 681 E C -0.943 175.575 176.600 -0.138 0.000 0.992 681 E CA -0.701 55.642 56.400 -0.095 0.000 0.803 681 E CB 2.086 31.749 29.700 -0.061 0.000 1.090 681 E HN 0.450 nan 8.360 nan 0.000 0.396 682 L N 4.991 126.081 121.223 -0.222 0.000 2.334 682 L HA 0.351 4.691 4.340 0.000 0.000 0.277 682 L C -1.960 174.789 176.870 -0.201 0.000 1.075 682 L CA -1.973 52.669 54.840 -0.331 0.000 0.804 682 L CB 0.451 42.198 42.059 -0.519 0.000 1.174 682 L HN 0.301 nan 8.230 nan 0.000 0.438 683 P HA 0.012 nan 4.420 nan 0.000 0.271 683 P C -0.501 176.763 177.300 -0.060 0.000 1.233 683 P CA -0.502 62.566 63.100 -0.053 0.000 0.789 683 P CB 0.398 32.118 31.700 0.034 0.000 0.951 684 E N 0.615 120.801 120.200 -0.023 0.000 2.652 684 E HA -0.023 4.327 4.350 0.000 0.000 0.255 684 E C -0.469 176.127 176.600 -0.008 0.000 0.952 684 E CA 0.323 56.711 56.400 -0.021 0.000 0.947 684 E CB 0.065 29.761 29.700 -0.007 0.000 0.912 684 E HN 0.307 nan 8.360 nan 0.000 0.489 685 L N 7.212 128.420 121.223 -0.025 0.000 2.275 685 L HA 0.333 4.673 4.340 0.000 0.000 0.288 685 L C -1.685 175.196 176.870 0.019 0.000 1.046 685 L CA -2.141 52.700 54.840 0.001 0.000 0.805 685 L CB 0.923 42.965 42.059 -0.029 0.000 1.193 685 L HN 0.440 nan 8.230 nan 0.000 0.426 686 P HA -0.035 nan 4.420 nan 0.000 0.264 686 P C -1.280 176.040 177.300 0.033 0.000 1.179 686 P CA 0.030 63.155 63.100 0.041 0.000 0.763 686 P CB 0.579 32.315 31.700 0.059 0.000 0.806 687 Q N 3.254 123.068 119.800 0.025 0.000 2.381 687 Q HA 0.399 4.739 4.340 0.000 0.000 0.263 687 Q C -1.952 174.062 176.000 0.024 0.000 1.030 687 Q CA -1.745 54.071 55.803 0.021 0.000 0.772 687 Q CB 1.082 29.826 28.738 0.010 0.000 1.232 687 Q HN 0.438 nan 8.270 nan 0.000 0.476 688 P HA 0.074 nan 4.420 nan 0.000 0.274 688 P C -0.212 177.104 177.300 0.027 0.000 1.237 688 P CA -0.213 62.906 63.100 0.032 0.000 0.793 688 P CB 1.414 33.140 31.700 0.042 0.000 0.977 689 E N -0.230 119.985 120.200 0.025 0.000 2.251 689 E HA 0.047 4.397 4.350 0.000 0.000 0.194 689 E C 0.358 176.974 176.600 0.026 0.000 0.964 689 E CA 0.331 56.745 56.400 0.022 0.000 0.868 689 E CB 0.057 29.768 29.700 0.019 0.000 0.828 689 E HN 0.448 nan 8.360 nan 0.000 0.481 690 S N 1.587 117.305 115.700 0.030 0.000 2.576 690 S HA 0.319 4.789 4.470 0.000 0.000 0.272 690 S C 0.367 174.992 174.600 0.041 0.000 1.352 690 S CA -0.315 57.905 58.200 0.034 0.000 1.021 690 S CB 1.088 64.310 63.200 0.036 0.000 0.887 690 S HN 0.272 nan 8.310 nan 0.000 0.542 691 A N 0.945 123.791 122.820 0.044 0.000 2.313 691 A HA 0.770 5.090 4.320 0.000 0.000 0.261 691 A C 0.893 178.518 177.584 0.067 0.000 1.090 691 A CA 0.254 52.321 52.037 0.050 0.000 0.807 691 A CB -0.425 18.605 19.000 0.049 0.000 1.055 691 A HN 1.810 nan 8.150 nan 0.000 0.492 692 G N -0.718 108.127 108.800 0.076 0.000 2.347 692 G HA2 0.271 4.231 3.960 0.000 0.000 0.341 692 G HA3 0.271 4.231 3.960 0.000 0.000 0.341 692 G C -1.243 173.724 174.900 0.111 0.000 1.287 692 G CA -0.763 44.403 45.100 0.110 0.000 0.984 692 G HN 0.910 nan 8.290 nan 0.000 0.526 693 Q N -0.531 119.378 119.800 0.182 0.000 2.271 693 Q HA 0.615 4.955 4.340 0.000 0.000 0.258 693 Q C -0.652 175.508 176.000 0.266 0.000 0.936 693 Q CA -0.786 55.118 55.803 0.169 0.000 0.909 693 Q CB 2.423 31.323 28.738 0.270 0.000 1.253 693 Q HN 0.454 nan 8.270 nan 0.000 0.440 694 L N 3.113 124.399 121.223 0.105 0.000 2.289 694 L HA 0.480 4.820 4.340 0.000 0.000 0.285 694 L C -1.647 175.313 176.870 0.150 0.000 1.049 694 L CA -0.078 54.859 54.840 0.162 0.000 0.804 694 L CB 0.545 42.642 42.059 0.063 0.000 1.195 694 L HN 0.592 nan 8.230 nan 0.000 0.428 695 W N 5.522 126.901 121.300 0.132 0.000 2.957 695 W HA 0.517 5.177 4.660 0.000 0.000 0.336 695 W C -1.070 175.561 176.519 0.188 0.000 1.087 695 W CA -0.665 56.779 57.345 0.164 0.000 1.235 695 W CB 1.570 31.154 29.460 0.206 0.000 1.399 695 W HN 0.273 nan 8.180 nan 0.000 0.480 696 L N 3.195 124.691 121.223 0.456 0.000 2.289 696 L HA 0.810 5.150 4.340 0.000 0.000 0.285 696 L C -0.236 176.927 176.870 0.489 0.000 1.049 696 L CA 0.438 55.537 54.840 0.432 0.000 0.804 696 L CB 1.369 43.646 42.059 0.363 0.000 1.195 696 L HN 0.333 nan 8.230 nan 0.000 0.428 697 T N 4.973 119.763 114.554 0.392 0.000 2.879 697 T HA 0.603 4.953 4.350 0.000 0.000 0.290 697 T C -1.082 173.780 174.700 0.270 0.000 0.993 697 T CA -0.373 61.896 62.100 0.281 0.000 0.975 697 T CB 1.374 70.358 68.868 0.194 0.000 0.981 697 T HN 0.614 nan 8.240 nan 0.000 0.439 698 V N 2.726 122.736 119.914 0.161 0.000 2.555 698 V HA 0.851 4.971 4.120 0.000 0.000 0.302 698 V C -0.784 175.360 176.094 0.084 0.000 1.038 698 V CA -1.056 61.311 62.300 0.111 0.000 0.887 698 V CB 1.579 33.394 31.823 -0.014 0.000 0.991 698 V HN 0.826 nan 8.190 nan 0.000 0.434 699 R N 3.162 123.753 120.500 0.152 0.000 2.628 699 R HA 0.804 5.144 4.340 0.000 0.000 0.288 699 R C -1.487 174.889 176.300 0.127 0.000 0.980 699 R CA -0.761 55.447 56.100 0.181 0.000 0.891 699 R CB 2.578 32.964 30.300 0.142 0.000 1.188 699 R HN 0.623 nan 8.270 nan 0.000 0.450 700 V N 3.294 123.318 119.914 0.184 0.000 2.394 700 V HA 0.429 4.549 4.120 0.000 0.000 0.282 700 V C -0.452 175.691 176.094 0.082 0.000 1.031 700 V CA -0.601 61.765 62.300 0.110 0.000 0.881 700 V CB 1.809 33.711 31.823 0.131 0.000 0.982 700 V HN 0.469 nan 8.190 nan 0.000 0.451 701 V N 4.960 124.854 119.914 -0.033 0.000 2.735 701 V HA 0.386 4.506 4.120 0.000 0.000 0.310 701 V C -0.359 175.754 176.094 0.031 0.000 1.061 701 V CA -0.746 61.538 62.300 -0.027 0.000 0.913 701 V CB 2.270 33.960 31.823 -0.221 0.000 1.005 701 V HN 0.912 nan 8.190 nan 0.000 0.428 702 Q N 5.976 125.839 119.800 0.105 0.000 2.389 702 Q HA 0.222 4.562 4.340 0.000 0.000 0.244 702 Q C -1.632 174.393 176.000 0.041 0.000 1.056 702 Q CA -1.692 54.165 55.803 0.090 0.000 0.908 702 Q CB 1.345 30.145 28.738 0.102 0.000 1.273 702 Q HN 0.483 nan 8.270 nan 0.000 0.471 703 P HA -0.236 nan 4.420 nan 0.000 0.216 703 P C -0.590 176.717 177.300 0.010 0.000 1.157 703 P CA 1.457 64.572 63.100 0.025 0.000 0.880 703 P CB 0.263 31.981 31.700 0.031 0.000 0.791 704 N N -1.006 117.690 118.700 -0.007 0.000 2.472 704 N HA 0.475 5.215 4.740 0.000 0.000 0.289 704 N C -0.457 175.003 175.510 -0.084 0.000 1.156 704 N CA -0.827 52.203 53.050 -0.034 0.000 0.940 704 N CB 0.837 39.305 38.487 -0.032 0.000 1.200 704 N HN -0.045 nan 8.380 nan 0.000 0.511 705 A N 0.228 122.992 122.820 -0.094 0.000 2.351 705 A HA 0.524 4.844 4.320 0.000 0.000 0.257 705 A C 0.472 177.920 177.584 -0.227 0.000 1.087 705 A CA -0.223 51.716 52.037 -0.163 0.000 0.798 705 A CB 0.053 18.986 19.000 -0.112 0.000 1.033 705 A HN 0.712 nan 8.150 nan 0.000 0.488 706 T N -2.642 111.673 114.554 -0.399 0.000 2.883 706 T HA 0.613 4.963 4.350 0.000 0.000 0.284 706 T C 1.015 175.488 174.700 -0.379 0.000 1.041 706 T CA 0.040 61.855 62.100 -0.473 0.000 1.007 706 T CB 1.213 69.495 68.868 -0.976 0.000 1.220 706 T HN 1.329 nan 8.240 nan 0.000 0.552 707 A N -0.008 122.682 122.820 -0.216 0.000 2.070 707 A HA 0.092 4.412 4.320 0.000 0.000 0.220 707 A C 1.618 179.306 177.584 0.173 0.000 1.159 707 A CA 1.099 53.156 52.037 0.034 0.000 0.656 707 A CB -0.864 18.229 19.000 0.154 0.000 0.800 707 A HN 0.924 nan 8.150 nan 0.000 0.453 708 W N -0.877 120.482 121.300 0.098 0.000 2.702 708 W HA 0.438 5.098 4.660 0.000 0.000 0.369 708 W C -0.222 176.286 176.519 -0.017 0.000 0.987 708 W CA 0.411 57.794 57.345 0.063 0.000 1.702 708 W CB -1.063 28.429 29.460 0.053 0.000 1.138 708 W HN 0.420 nan 8.180 nan 0.000 0.552 709 S N 0.513 115.893 115.700 -0.534 0.000 2.536 709 S HA 0.354 4.824 4.470 0.000 0.000 0.271 709 S C -0.556 173.867 174.600 -0.294 0.000 1.134 709 S CA -0.693 57.241 58.200 -0.444 0.000 0.897 709 S CB 2.475 65.073 63.200 -1.004 0.000 1.094 709 S HN 0.113 nan 8.310 nan 0.000 0.473 710 E N 1.442 121.597 120.200 -0.076 0.000 2.390 710 E HA 0.449 4.799 4.350 0.000 0.000 0.261 710 E C 0.547 177.139 176.600 -0.013 0.000 1.076 710 E CA -0.455 55.931 56.400 -0.022 0.000 0.905 710 E CB 0.687 30.412 29.700 0.041 0.000 0.984 710 E HN 0.892 nan 8.360 nan 0.000 0.427 711 A N 0.929 123.740 122.820 -0.015 0.000 2.531 711 A HA 0.360 4.680 4.320 0.000 0.000 0.236 711 A C 1.269 178.877 177.584 0.040 0.000 1.062 711 A CA 0.778 52.815 52.037 -0.001 0.000 0.760 711 A CB -0.395 18.604 19.000 -0.001 0.000 0.995 711 A HN 0.855 nan 8.150 nan 0.000 0.501 712 G N 0.132 108.964 108.800 0.052 0.000 2.175 712 G HA2 -0.237 3.723 3.960 0.000 0.000 0.244 712 G HA3 -0.237 3.723 3.960 0.000 0.000 0.244 712 G C 0.365 175.323 174.900 0.097 0.000 0.982 712 G CA 0.411 45.550 45.100 0.064 0.000 0.641 712 G HN 1.434 nan 8.290 nan 0.000 0.527 713 H N 1.064 120.154 119.070 0.032 0.000 3.038 713 H HA 0.207 4.763 4.556 0.000 0.000 0.338 713 H C 0.107 175.509 175.328 0.122 0.000 1.041 713 H CA 0.540 56.638 56.048 0.083 0.000 1.394 713 H CB 0.260 30.072 29.762 0.083 0.000 1.357 713 H HN 0.147 nan 8.280 nan 0.000 0.600 714 I N 4.768 125.162 120.570 -0.295 0.000 2.336 714 I HA -0.057 4.113 4.170 0.000 0.000 0.292 714 I C 1.406 177.521 176.117 -0.004 0.000 0.991 714 I CA -0.075 61.196 61.300 -0.048 0.000 1.227 714 I CB 1.460 39.458 38.000 -0.003 0.000 1.366 714 I HN 0.619 nan 8.210 nan 0.000 0.466 715 S N 4.211 120.089 115.700 0.296 0.000 2.506 715 S HA 0.531 5.001 4.470 0.000 0.000 0.219 715 S C 0.542 175.359 174.600 0.361 0.000 1.031 715 S CA 0.184 58.644 58.200 0.433 0.000 0.911 715 S CB 0.752 64.299 63.200 0.578 0.000 0.812 715 S HN 0.755 nan 8.310 nan 0.000 0.497 716 A N 0.348 123.408 122.820 0.400 0.000 2.610 716 A HA 0.707 5.028 4.320 0.000 0.000 0.291 716 A C -1.924 175.945 177.584 0.475 0.000 1.086 716 A CA -0.722 51.487 52.037 0.287 0.000 0.677 716 A CB 0.526 19.747 19.000 0.368 0.000 1.278 716 A HN 1.054 nan 8.150 nan 0.000 0.414 717 W N -0.309 121.137 121.300 0.242 0.000 3.153 717 W HA 0.746 5.406 4.660 0.000 0.000 0.316 717 W C -1.387 175.144 176.519 0.020 0.000 1.255 717 W CA -0.421 56.964 57.345 0.067 0.000 1.192 717 W CB 0.876 30.354 29.460 0.030 0.000 1.400 717 W HN 1.062 nan 8.180 nan 0.000 0.568 718 Q N 1.707 121.512 119.800 0.008 0.000 2.522 718 Q HA 0.521 4.861 4.340 0.000 0.000 0.285 718 Q C -1.662 174.098 176.000 -0.399 0.000 0.982 718 Q CA -0.633 55.020 55.803 -0.250 0.000 0.805 718 Q CB 2.522 30.903 28.738 -0.596 0.000 1.457 718 Q HN 0.669 nan 8.270 nan 0.000 0.394 719 Q N 2.191 121.671 119.800 -0.533 0.000 2.340 719 Q HA 0.574 4.914 4.340 0.000 0.000 0.276 719 Q C -1.545 174.240 176.000 -0.358 0.000 1.048 719 Q CA -0.654 54.971 55.803 -0.298 0.000 0.832 719 Q CB 1.608 30.414 28.738 0.113 0.000 1.373 719 Q HN 0.642 nan 8.270 nan 0.000 0.409 720 W N 2.203 123.650 121.300 0.244 0.000 2.844 720 W HA 0.483 5.143 4.660 0.000 0.000 0.340 720 W C -0.341 176.133 176.519 -0.076 0.000 1.093 720 W CA -0.899 56.503 57.345 0.094 0.000 1.212 720 W CB 2.048 31.520 29.460 0.020 0.000 1.422 720 W HN 0.675 nan 8.180 nan 0.000 0.515 721 R N 2.767 123.100 120.500 -0.279 0.000 2.235 721 R HA 0.217 4.557 4.340 0.000 0.000 0.338 721 R C 0.965 177.052 176.300 -0.355 0.000 1.087 721 R CA -0.133 55.443 56.100 -0.873 0.000 0.948 721 R CB 0.211 29.727 30.300 -1.306 0.000 1.099 721 R HN 0.611 nan 8.270 nan 0.000 0.483 722 L N 2.446 123.548 121.223 -0.202 0.000 1.932 722 L HA -0.055 4.285 4.340 0.000 0.000 0.217 722 L C 1.086 177.878 176.870 -0.130 0.000 1.077 722 L CA 1.844 56.619 54.840 -0.108 0.000 0.765 722 L CB -0.316 41.722 42.059 -0.035 0.000 0.888 722 L HN 0.700 nan 8.230 nan 0.000 0.433 723 A N -1.244 121.502 122.820 -0.123 0.000 2.548 723 A HA 0.660 4.980 4.320 0.000 0.000 0.282 723 A C -1.236 176.290 177.584 -0.096 0.000 1.288 723 A CA -0.351 51.629 52.037 -0.094 0.000 0.748 723 A CB 1.966 20.936 19.000 -0.050 0.000 1.339 723 A HN 0.209 nan 8.150 nan 0.000 0.475 724 E N -0.536 119.632 120.200 -0.053 0.000 2.378 724 E HA 0.414 4.764 4.350 0.000 0.000 0.283 724 E C -2.142 174.455 176.600 -0.005 0.000 0.979 724 E CA -0.633 55.751 56.400 -0.028 0.000 0.795 724 E CB 1.304 30.980 29.700 -0.041 0.000 1.221 724 E HN 0.537 nan 8.360 nan 0.000 0.428 725 N N 3.952 122.662 118.700 0.017 0.000 2.483 725 N HA 0.342 5.082 4.740 0.000 0.000 0.267 725 N C -0.855 174.673 175.510 0.030 0.000 0.998 725 N CA -0.418 52.644 53.050 0.021 0.000 0.918 725 N CB 1.312 39.816 38.487 0.027 0.000 1.215 725 N HN 0.434 nan 8.380 nan 0.000 0.500 726 L N 0.723 121.961 121.223 0.025 0.000 2.380 726 L HA 0.219 4.559 4.340 0.000 0.000 0.273 726 L C 1.110 178.001 176.870 0.034 0.000 1.138 726 L CA -0.212 54.647 54.840 0.032 0.000 0.832 726 L CB 0.774 42.848 42.059 0.026 0.000 1.124 726 L HN 0.424 nan 8.230 nan 0.000 0.454 727 S N 2.597 118.322 115.700 0.041 0.000 2.474 727 S HA 0.296 4.766 4.470 0.000 0.000 0.276 727 S C 0.119 174.740 174.600 0.034 0.000 1.227 727 S CA -0.842 57.382 58.200 0.040 0.000 1.050 727 S CB 0.650 63.878 63.200 0.047 0.000 0.939 727 S HN 0.435 nan 8.310 nan 0.000 0.490 728 V N 2.678 122.610 119.914 0.029 0.000 2.802 728 V HA 0.446 4.566 4.120 0.000 0.000 0.350 728 V C 0.132 176.240 176.094 0.022 0.000 1.233 728 V CA -0.390 61.925 62.300 0.025 0.000 1.337 728 V CB -0.719 31.116 31.823 0.020 0.000 1.497 728 V HN 0.853 nan 8.190 nan 0.000 0.616 729 T N -0.105 114.464 114.554 0.025 0.000 2.888 729 T HA 0.800 5.150 4.350 0.000 0.000 0.284 729 T C -0.440 174.272 174.700 0.021 0.000 1.017 729 T CA -0.742 61.371 62.100 0.022 0.000 1.022 729 T CB 2.258 71.139 68.868 0.023 0.000 1.013 729 T HN 0.359 nan 8.240 nan 0.000 0.465 730 L N 2.696 123.928 121.223 0.016 0.000 2.289 730 L HA 0.512 4.852 4.340 0.000 0.000 0.285 730 L C -1.836 175.040 176.870 0.010 0.000 1.049 730 L CA -2.191 52.656 54.840 0.013 0.000 0.804 730 L CB 0.145 42.209 42.059 0.008 0.000 1.195 730 L HN 0.515 nan 8.230 nan 0.000 0.428 731 P HA 0.058 nan 4.420 nan 0.000 0.266 731 P C -0.252 177.045 177.300 -0.006 0.000 1.193 731 P CA -0.279 62.826 63.100 0.008 0.000 0.770 731 P CB 0.554 32.259 31.700 0.009 0.000 0.836 732 A N 2.184 124.997 122.820 -0.011 0.000 2.483 732 A HA 0.453 4.773 4.320 0.000 0.000 0.238 732 A C 0.639 178.188 177.584 -0.058 0.000 1.070 732 A CA 0.044 52.061 52.037 -0.033 0.000 0.770 732 A CB -0.325 18.654 19.000 -0.035 0.000 1.008 732 A HN 0.724 nan 8.150 nan 0.000 0.497 733 A N 2.459 125.231 122.820 -0.079 0.000 2.409 733 A HA 0.531 4.851 4.320 0.000 0.000 0.262 733 A C 0.960 178.427 177.584 -0.194 0.000 1.113 733 A CA 0.164 52.142 52.037 -0.098 0.000 0.790 733 A CB -0.350 18.605 19.000 -0.075 0.000 1.046 733 A HN 1.622 nan 8.150 nan 0.000 0.496 734 S N 1.530 117.135 115.700 -0.158 0.000 2.596 734 S HA 0.142 4.612 4.470 0.000 0.000 0.260 734 S C 0.280 174.711 174.600 -0.282 0.000 1.336 734 S CA 0.104 58.185 58.200 -0.198 0.000 0.993 734 S CB 0.055 63.219 63.200 -0.059 0.000 0.923 734 S HN 0.727 nan 8.310 nan 0.000 0.567 735 H N -0.126 118.954 119.070 0.018 0.000 2.517 735 H HA 0.607 5.163 4.556 0.000 0.000 0.282 735 H C 0.440 175.776 175.328 0.014 0.000 1.023 735 H CA 0.434 56.490 56.048 0.014 0.000 1.169 735 H CB 0.253 30.023 29.762 0.013 0.000 1.454 735 H HN 0.825 nan 8.280 nan 0.000 0.556 736 A N 0.924 123.801 122.820 0.096 0.000 2.522 736 A HA 0.471 4.791 4.320 0.000 0.000 0.291 736 A C -1.634 175.982 177.584 0.052 0.000 1.039 736 A CA -0.810 51.273 52.037 0.076 0.000 0.643 736 A CB 0.678 19.733 19.000 0.093 0.000 1.310 736 A HN 0.252 nan 8.150 nan 0.000 0.436 737 I N -1.107 119.494 120.570 0.052 0.000 2.647 737 I HA 0.785 4.955 4.170 0.000 0.000 0.295 737 I C -2.800 173.364 176.117 0.079 0.000 1.078 737 I CA -2.509 58.821 61.300 0.050 0.000 1.048 737 I CB 2.143 40.160 38.000 0.028 0.000 1.239 737 I HN 0.404 nan 8.210 nan 0.000 0.421 738 P HA -0.035 nan 4.420 nan 0.000 0.270 738 P C -1.244 176.157 177.300 0.168 0.000 1.216 738 P CA 0.373 63.553 63.100 0.133 0.000 0.788 738 P CB 0.160 31.918 31.700 0.095 0.000 0.883 739 H N 0.862 119.970 119.070 0.064 0.000 2.589 739 H HA 0.450 5.006 4.556 0.000 0.000 0.335 739 H C -1.124 174.237 175.328 0.055 0.000 1.019 739 H CA -1.151 54.924 56.048 0.045 0.000 1.213 739 H CB 1.022 30.808 29.762 0.040 0.000 1.472 739 H HN 0.223 nan 8.280 nan 0.000 0.508 740 L N 4.741 125.896 121.223 -0.113 0.000 2.307 740 L HA 0.390 4.730 4.340 0.000 0.000 0.282 740 L C -0.912 175.790 176.870 -0.281 0.000 1.051 740 L CA 0.135 54.876 54.840 -0.165 0.000 0.804 740 L CB 1.715 43.725 42.059 -0.080 0.000 1.197 740 L HN 0.597 nan 8.230 nan 0.000 0.431 741 T N 3.520 117.976 114.554 -0.164 0.000 2.930 741 T HA 0.376 4.726 4.350 0.000 0.000 0.313 741 T C -0.261 174.474 174.700 0.059 0.000 1.019 741 T CA -0.398 61.640 62.100 -0.103 0.000 1.004 741 T CB 0.883 69.664 68.868 -0.144 0.000 0.987 741 T HN 0.763 nan 8.240 nan 0.000 0.456 742 T N 2.741 117.361 114.554 0.110 0.000 2.868 742 T HA 0.606 4.956 4.350 0.000 0.000 0.292 742 T C 0.549 175.281 174.700 0.054 0.000 1.028 742 T CA -0.547 61.658 62.100 0.175 0.000 1.059 742 T CB 1.203 70.197 68.868 0.210 0.000 0.991 742 T HN 0.633 nan 8.240 nan 0.000 0.531 743 S N 0.079 115.776 115.700 -0.004 0.000 2.851 743 S HA 0.365 4.835 4.470 0.000 0.000 0.313 743 S C 0.400 174.947 174.600 -0.088 0.000 1.163 743 S CA -0.797 57.378 58.200 -0.042 0.000 0.850 743 S CB 1.329 64.502 63.200 -0.046 0.000 1.245 743 S HN 0.676 nan 8.310 nan 0.000 0.558 744 E N 0.092 120.243 120.200 -0.081 0.000 2.276 744 E HA 0.203 4.553 4.350 0.000 0.000 0.193 744 E C 1.208 177.728 176.600 -0.134 0.000 0.983 744 E CA 0.380 56.722 56.400 -0.097 0.000 0.861 744 E CB -0.062 29.601 29.700 -0.061 0.000 0.817 744 E HN 0.549 nan 8.360 nan 0.000 0.485 745 M N 1.132 120.664 119.600 -0.115 0.000 2.428 745 M HA 0.070 4.550 4.480 0.000 0.000 0.239 745 M C -0.567 175.645 176.300 -0.147 0.000 1.121 745 M CA 0.273 55.507 55.300 -0.110 0.000 1.019 745 M CB 0.208 32.774 32.600 -0.058 0.000 1.485 745 M HN 0.110 nan 8.290 nan 0.000 0.484 746 D N -1.702 118.563 120.400 -0.225 0.000 2.992 746 D HA 0.292 4.932 4.640 0.000 0.000 0.349 746 D C -1.345 174.718 176.300 -0.395 0.000 1.393 746 D CA -0.647 53.203 54.000 -0.251 0.000 0.887 746 D CB 0.843 41.618 40.800 -0.041 0.000 1.447 746 D HN -0.172 nan 8.370 nan 0.000 0.524 747 F N 0.015 120.026 119.950 0.103 0.000 2.745 747 F HA 0.465 4.992 4.527 0.000 0.000 0.343 747 F C -0.596 175.290 175.800 0.143 0.000 1.196 747 F CA -1.529 56.531 58.000 0.099 0.000 1.021 747 F CB 1.762 40.828 39.000 0.111 0.000 1.297 747 F HN 0.583 nan 8.300 nan 0.000 0.486 748 C N 5.527 124.981 119.300 0.256 0.000 2.350 748 C HA 0.763 5.223 4.460 0.000 0.000 0.348 748 C C -0.180 174.908 174.990 0.163 0.000 1.260 748 C CA -0.498 58.627 59.018 0.178 0.000 1.966 748 C CB -0.217 27.551 27.740 0.046 0.000 2.380 748 C HN 0.539 nan 8.230 nan 0.000 0.535 749 I N 4.470 125.187 120.570 0.244 0.000 2.465 749 I HA 0.530 4.700 4.170 0.000 0.000 0.291 749 I C -0.158 176.162 176.117 0.340 0.000 1.014 749 I CA -0.255 61.199 61.300 0.256 0.000 1.093 749 I CB 1.502 39.686 38.000 0.308 0.000 1.267 749 I HN 0.670 nan 8.210 nan 0.000 0.431 750 E N 4.363 124.712 120.200 0.247 0.000 2.343 750 E HA 0.750 5.100 4.350 0.000 0.000 0.270 750 E C -1.897 174.859 176.600 0.260 0.000 0.895 750 E CA -0.874 55.661 56.400 0.225 0.000 0.767 750 E CB 3.473 33.236 29.700 0.105 0.000 1.248 750 E HN 0.395 nan 8.360 nan 0.000 0.440 751 L N 2.047 123.404 121.223 0.222 0.000 2.795 751 L HA 0.428 4.768 4.340 0.000 0.000 0.260 751 L C -0.007 176.929 176.870 0.110 0.000 0.935 751 L CA 0.710 55.669 54.840 0.198 0.000 0.985 751 L CB 1.309 43.555 42.059 0.311 0.000 1.433 751 L HN 0.737 nan 8.230 nan 0.000 0.447 752 G N 4.387 113.231 108.800 0.073 0.000 2.594 752 G HA2 -0.419 3.541 3.960 0.000 0.000 0.297 752 G HA3 -0.419 3.541 3.960 0.000 0.000 0.297 752 G C 0.522 175.420 174.900 -0.003 0.000 1.273 752 G CA 0.666 45.785 45.100 0.032 0.000 0.974 752 G HN 1.387 nan 8.290 nan 0.000 0.552 753 N N 1.010 119.694 118.700 -0.028 0.000 2.449 753 N HA 0.079 4.819 4.740 0.000 0.000 0.191 753 N C 0.437 175.886 175.510 -0.101 0.000 1.161 753 N CA 0.940 53.956 53.050 -0.056 0.000 0.863 753 N CB 0.143 38.599 38.487 -0.051 0.000 0.980 753 N HN 0.730 nan 8.380 nan 0.000 0.458 754 K N 0.284 120.598 120.400 -0.144 0.000 2.164 754 K HA 0.475 4.795 4.320 0.000 0.000 0.258 754 K C -0.286 176.091 176.600 -0.373 0.000 0.951 754 K CA -0.563 55.517 56.287 -0.345 0.000 0.844 754 K CB 2.055 34.228 32.500 -0.546 0.000 1.099 754 K HN -0.039 nan 8.250 nan 0.000 0.435 755 R N 1.234 121.470 120.500 -0.441 0.000 2.744 755 R HA 0.438 4.778 4.340 0.000 0.000 0.279 755 R C -1.324 174.766 176.300 -0.351 0.000 0.977 755 R CA -0.820 55.157 56.100 -0.204 0.000 0.906 755 R CB 1.690 31.974 30.300 -0.028 0.000 1.197 755 R HN 0.554 nan 8.270 nan 0.000 0.463 756 W N 2.425 123.792 121.300 0.112 0.000 2.781 756 W HA 0.285 4.945 4.660 0.000 0.000 0.333 756 W C -0.606 175.924 176.519 0.017 0.000 1.047 756 W CA -0.472 56.870 57.345 -0.004 0.000 1.236 756 W CB 2.078 31.508 29.460 -0.050 0.000 1.394 756 W HN 0.373 nan 8.180 nan 0.000 0.466 757 Q N 3.095 122.970 119.800 0.125 0.000 2.333 757 Q HA 0.394 4.734 4.340 0.000 0.000 0.265 757 Q C -1.682 174.214 176.000 -0.174 0.000 0.989 757 Q CA -0.482 55.385 55.803 0.106 0.000 0.842 757 Q CB 1.131 30.044 28.738 0.290 0.000 1.262 757 Q HN 0.351 nan 8.270 nan 0.000 0.451 758 F N 3.502 123.543 119.950 0.152 0.000 2.361 758 F HA 0.248 4.776 4.527 0.000 0.000 0.364 758 F C 0.782 176.598 175.800 0.027 0.000 1.120 758 F CA -0.783 57.275 58.000 0.096 0.000 1.102 758 F CB 0.846 39.935 39.000 0.148 0.000 1.183 758 F HN 0.518 nan 8.300 nan 0.000 0.476 759 N N 3.201 121.988 118.700 0.145 0.000 2.454 759 N HA 0.038 4.778 4.740 0.000 0.000 0.254 759 N C 0.842 176.347 175.510 -0.009 0.000 1.228 759 N CA 0.313 53.396 53.050 0.055 0.000 0.900 759 N CB 0.774 39.297 38.487 0.060 0.000 1.089 759 N HN 0.656 nan 8.380 nan 0.000 0.449 760 R N 2.028 122.454 120.500 -0.123 0.000 2.290 760 R HA 0.069 4.409 4.340 0.000 0.000 0.197 760 R C 1.279 177.491 176.300 -0.147 0.000 0.913 760 R CA 0.491 56.466 56.100 -0.209 0.000 1.040 760 R CB 0.351 30.424 30.300 -0.378 0.000 0.992 760 R HN 0.677 nan 8.270 nan 0.000 0.500 761 Q N -0.181 119.560 119.800 -0.098 0.000 2.302 761 Q HA -0.002 4.338 4.340 0.000 0.000 0.202 761 Q C 1.915 177.867 176.000 -0.081 0.000 0.936 761 Q CA 1.475 57.231 55.803 -0.079 0.000 0.886 761 Q CB 0.366 29.076 28.738 -0.047 0.000 0.986 761 Q HN 0.209 nan 8.270 nan 0.000 0.487 762 S N -0.835 114.823 115.700 -0.070 0.000 2.452 762 S HA 0.280 4.750 4.470 0.000 0.000 0.225 762 S C 1.540 175.965 174.600 -0.291 0.000 1.057 762 S CA 0.546 58.687 58.200 -0.098 0.000 0.949 762 S CB 0.454 63.689 63.200 0.057 0.000 0.836 762 S HN 0.446 nan 8.310 nan 0.000 0.518 763 G N 0.560 109.226 108.800 -0.223 0.000 2.138 763 G HA2 -0.093 3.867 3.960 0.000 0.000 0.193 763 G HA3 -0.093 3.867 3.960 0.000 0.000 0.193 763 G C -0.309 174.489 174.900 -0.170 0.000 0.998 763 G CA -0.083 44.874 45.100 -0.238 0.000 0.668 763 G HN 0.434 nan 8.290 nan 0.000 0.516 764 F N -0.915 119.227 119.950 0.320 0.000 2.561 764 F HA 0.713 5.240 4.527 0.000 0.000 0.321 764 F C 0.421 176.319 175.800 0.163 0.000 1.065 764 F CA -1.843 56.335 58.000 0.297 0.000 0.934 764 F CB 1.443 40.568 39.000 0.209 0.000 1.215 764 F HN 0.006 nan 8.300 nan 0.000 0.471 765 L N 1.899 123.250 121.223 0.213 0.000 2.654 765 L HA 0.087 4.427 4.340 0.000 0.000 0.271 765 L C 0.926 177.755 176.870 -0.069 0.000 1.169 765 L CA 0.699 55.337 54.840 -0.336 0.000 0.947 765 L CB 0.059 41.942 42.059 -0.293 0.000 1.232 765 L HN 0.716 nan 8.230 nan 0.000 0.486 766 S N 2.442 118.087 115.700 -0.091 0.000 2.503 766 S HA 0.245 4.715 4.470 0.000 0.000 0.215 766 S C 0.340 174.869 174.600 -0.119 0.000 1.003 766 S CA -0.062 58.124 58.200 -0.024 0.000 0.910 766 S CB 0.203 63.425 63.200 0.038 0.000 0.790 766 S HN 0.672 nan 8.310 nan 0.000 0.514 767 Q N 0.354 120.022 119.800 -0.220 0.000 2.776 767 Q HA 0.616 4.956 4.340 0.000 0.000 0.289 767 Q C -1.921 173.763 176.000 -0.527 0.000 0.912 767 Q CA -0.585 54.958 55.803 -0.434 0.000 0.789 767 Q CB 1.142 29.529 28.738 -0.584 0.000 1.498 767 Q HN 0.426 nan 8.270 nan 0.000 0.408 768 M N -0.094 119.037 119.600 -0.781 0.000 2.414 768 M HA 0.783 5.263 4.480 0.000 0.000 0.287 768 M C -1.929 173.924 176.300 -0.745 0.000 1.181 768 M CA -0.389 54.540 55.300 -0.619 0.000 0.933 768 M CB 1.924 34.200 32.600 -0.539 0.000 1.732 768 M HN 0.454 nan 8.290 nan 0.000 0.486 769 W N 3.558 124.617 121.300 -0.402 0.000 2.689 769 W HA 0.711 5.371 4.660 0.000 0.000 0.340 769 W C -1.284 175.014 176.519 -0.369 0.000 1.060 769 W CA -0.873 56.282 57.345 -0.316 0.000 1.218 769 W CB 2.002 31.316 29.460 -0.242 0.000 1.410 769 W HN 0.614 nan 8.180 nan 0.000 0.528 770 I N 3.274 123.799 120.570 -0.074 0.000 2.466 770 I HA 0.347 4.517 4.170 0.000 0.000 0.279 770 I C 0.783 176.872 176.117 -0.046 0.000 1.033 770 I CA -0.118 61.109 61.300 -0.122 0.000 1.123 770 I CB 1.014 38.912 38.000 -0.169 0.000 1.237 770 I HN 0.746 nan 8.210 nan 0.000 0.460 771 G N 6.224 115.002 108.800 -0.037 0.000 2.557 771 G HA2 -0.304 3.656 3.960 0.000 0.000 0.292 771 G HA3 -0.304 3.656 3.960 0.000 0.000 0.292 771 G C 0.343 175.266 174.900 0.038 0.000 1.162 771 G CA 0.606 45.694 45.100 -0.019 0.000 0.964 771 G HN 0.731 nan 8.290 nan 0.000 0.541 772 D N 0.978 121.410 120.400 0.053 0.000 2.431 772 D HA 0.216 4.856 4.640 0.000 0.000 0.213 772 D C 0.567 176.956 176.300 0.149 0.000 1.130 772 D CA 0.133 54.200 54.000 0.112 0.000 0.834 772 D CB 0.428 41.251 40.800 0.038 0.000 0.985 772 D HN 0.510 nan 8.370 nan 0.000 0.504 773 K N 1.173 121.617 120.400 0.073 0.000 2.227 773 K HA 0.311 4.631 4.320 0.000 0.000 0.280 773 K C 0.019 176.522 176.600 -0.161 0.000 1.041 773 K CA -0.465 55.808 56.287 -0.023 0.000 0.905 773 K CB 1.868 34.328 32.500 -0.066 0.000 1.068 773 K HN -0.139 nan 8.250 nan 0.000 0.470 774 K N 1.720 121.960 120.400 -0.266 0.000 2.168 774 K HA 0.070 4.390 4.320 0.000 0.000 0.258 774 K C 0.802 177.173 176.600 -0.381 0.000 1.010 774 K CA -0.421 55.508 56.287 -0.598 0.000 0.929 774 K CB 0.717 32.883 32.500 -0.557 0.000 0.998 774 K HN 0.400 nan 8.250 nan 0.000 0.479 775 Q N 0.523 120.074 119.800 -0.415 0.000 2.378 775 Q HA 0.212 4.552 4.340 0.000 0.000 0.229 775 Q C 0.003 175.908 176.000 -0.158 0.000 0.882 775 Q CA 0.492 56.175 55.803 -0.200 0.000 0.936 775 Q CB 0.487 29.142 28.738 -0.139 0.000 1.092 775 Q HN 0.474 nan 8.270 nan 0.000 0.535 776 L N 0.590 121.664 121.223 -0.248 0.000 2.334 776 L HA 0.400 4.740 4.340 0.000 0.000 0.276 776 L C 0.912 177.662 176.870 -0.201 0.000 1.014 776 L CA -0.380 54.344 54.840 -0.194 0.000 0.815 776 L CB 1.624 43.569 42.059 -0.190 0.000 1.268 776 L HN -0.080 nan 8.230 nan 0.000 0.428 777 L N 0.850 121.953 121.223 -0.200 0.000 2.664 777 L HA 0.272 4.612 4.340 0.000 0.000 0.233 777 L C -0.232 176.530 176.870 -0.180 0.000 1.113 777 L CA 0.582 55.307 54.840 -0.191 0.000 0.896 777 L CB 0.732 42.650 42.059 -0.234 0.000 1.163 777 L HN 0.690 nan 8.230 nan 0.000 0.497 778 T N -0.007 114.435 114.554 -0.186 0.000 3.159 778 T HA 0.278 4.628 4.350 0.000 0.000 0.343 778 T C -2.736 171.916 174.700 -0.079 0.000 1.364 778 T CA -0.757 61.269 62.100 -0.124 0.000 1.102 778 T CB 2.532 71.274 68.868 -0.210 0.000 1.263 778 T HN -0.252 nan 8.240 nan 0.000 0.477 779 P HA 0.262 nan 4.420 nan 0.000 0.271 779 P C -0.446 176.851 177.300 -0.005 0.000 1.218 779 P CA -0.700 62.413 63.100 0.021 0.000 0.780 779 P CB 0.521 32.288 31.700 0.111 0.000 0.901 780 L N 4.380 125.633 121.223 0.049 0.000 2.485 780 L HA 0.117 4.457 4.340 0.000 0.000 0.279 780 L C 0.557 177.338 176.870 -0.149 0.000 1.124 780 L CA 0.645 55.518 54.840 0.054 0.000 0.888 780 L CB -0.538 41.668 42.059 0.245 0.000 1.217 780 L HN 0.360 nan 8.230 nan 0.000 0.464 781 R N 2.266 122.586 120.500 -0.299 0.000 2.939 781 R HA 0.625 4.965 4.340 0.000 0.000 0.254 781 R C -0.934 175.167 176.300 -0.332 0.000 1.123 781 R CA -1.177 54.550 56.100 -0.620 0.000 1.020 781 R CB 0.564 30.338 30.300 -0.877 0.000 1.206 781 R HN 0.361 nan 8.270 nan 0.000 0.491 782 D N 0.720 120.937 120.400 -0.305 0.000 2.362 782 D HA 0.105 4.745 4.640 0.000 0.000 0.242 782 D C -0.634 175.206 176.300 -0.767 0.000 1.132 782 D CA 0.282 53.977 54.000 -0.508 0.000 0.907 782 D CB 0.681 41.150 40.800 -0.552 0.000 1.195 782 D HN 0.251 nan 8.370 nan 0.000 0.429 783 Q N 0.797 119.945 119.800 -1.087 0.000 2.271 783 Q HA 0.316 4.656 4.340 0.000 0.000 0.268 783 Q C -1.169 174.169 176.000 -1.103 0.000 1.021 783 Q CA -0.510 54.770 55.803 -0.872 0.000 0.802 783 Q CB 0.900 29.350 28.738 -0.479 0.000 1.282 783 Q HN 0.450 nan 8.270 nan 0.000 0.431 784 F N 0.171 119.771 119.950 -0.582 0.000 2.798 784 F HA 0.170 4.697 4.527 0.000 0.000 0.328 784 F C 0.746 176.165 175.800 -0.635 0.000 1.098 784 F CA -0.004 57.572 58.000 -0.707 0.000 1.172 784 F CB 1.298 39.654 39.000 -1.072 0.000 1.072 784 F HN 0.421 nan 8.300 nan 0.000 0.555 785 T N -0.847 113.446 114.554 -0.435 0.000 2.807 785 T HA 0.834 5.184 4.350 0.000 0.000 0.277 785 T C -0.522 173.934 174.700 -0.406 0.000 1.006 785 T CA -0.928 60.820 62.100 -0.587 0.000 1.006 785 T CB 2.811 71.235 68.868 -0.740 0.000 1.274 785 T HN 0.230 nan 8.240 nan 0.000 0.569 786 R N -0.705 119.615 120.500 -0.300 0.000 2.663 786 R HA 0.697 5.037 4.340 0.000 0.000 0.267 786 R C -1.310 175.061 176.300 0.119 0.000 1.038 786 R CA -1.119 54.927 56.100 -0.090 0.000 0.886 786 R CB 1.242 31.481 30.300 -0.101 0.000 1.249 786 R HN 0.886 nan 8.270 nan 0.000 0.463 787 A N 3.379 126.249 122.820 0.082 0.000 2.476 787 A HA 0.322 4.642 4.320 0.000 0.000 0.275 787 A C -2.012 175.650 177.584 0.130 0.000 1.133 787 A CA -1.326 50.763 52.037 0.086 0.000 0.797 787 A CB -0.493 18.505 19.000 -0.004 0.000 1.081 787 A HN 0.520 nan 8.150 nan 0.000 0.510 788 P HA -0.044 nan 4.420 nan 0.000 0.259 788 P C -0.027 177.377 177.300 0.173 0.000 1.155 788 P CA 0.701 63.962 63.100 0.269 0.000 0.759 788 P CB 0.193 32.057 31.700 0.273 0.000 0.753 789 L N 2.700 123.997 121.223 0.123 0.000 2.482 789 L HA 0.140 4.480 4.340 0.000 0.000 0.242 789 L C 1.832 178.698 176.870 -0.007 0.000 1.210 789 L CA -0.324 54.518 54.840 0.004 0.000 0.819 789 L CB 0.001 41.995 42.059 -0.107 0.000 1.203 789 L HN 0.302 nan 8.230 nan 0.000 0.495 790 D N 0.083 120.400 120.400 -0.138 0.000 2.144 790 D HA -0.138 4.502 4.640 0.000 0.000 0.199 790 D C 1.618 177.805 176.300 -0.187 0.000 0.984 790 D CA 1.245 55.083 54.000 -0.270 0.000 0.834 790 D CB 0.038 40.567 40.800 -0.452 0.000 0.955 790 D HN 0.434 nan 8.370 nan 0.000 0.465 791 N N 1.072 119.684 118.700 -0.146 0.000 2.453 791 N HA -0.104 4.636 4.740 0.000 0.000 0.183 791 N C 1.120 176.628 175.510 -0.004 0.000 1.041 791 N CA 0.621 53.621 53.050 -0.083 0.000 0.900 791 N CB -0.050 38.381 38.487 -0.094 0.000 0.961 791 N HN 0.265 nan 8.380 nan 0.000 0.443 792 D N 0.209 120.624 120.400 0.025 0.000 2.183 792 D HA 0.082 4.722 4.640 0.000 0.000 0.205 792 D C 1.978 178.322 176.300 0.074 0.000 0.962 792 D CA 0.400 54.459 54.000 0.097 0.000 0.849 792 D CB 0.211 41.133 40.800 0.202 0.000 0.978 792 D HN 0.266 nan 8.370 nan 0.000 0.488 793 I N 0.339 120.939 120.570 0.049 0.000 2.480 793 I HA 0.032 4.202 4.170 0.000 0.000 0.251 793 I C 1.955 178.095 176.117 0.038 0.000 1.124 793 I CA 0.709 62.033 61.300 0.041 0.000 1.444 793 I CB -0.290 37.719 38.000 0.015 0.000 1.098 793 I HN 0.056 nan 8.210 nan 0.000 0.428 794 G N 1.353 110.173 108.800 0.033 0.000 2.634 794 G HA2 -0.383 3.577 3.960 0.000 0.000 0.318 794 G HA3 -0.383 3.577 3.960 0.000 0.000 0.318 794 G C 0.822 175.883 174.900 0.269 0.000 1.207 794 G CA 1.217 46.399 45.100 0.136 0.000 0.987 794 G HN 0.626 nan 8.290 nan 0.000 0.547 795 V N -2.033 118.012 119.914 0.218 0.000 3.376 795 V HA 0.683 4.804 4.120 0.000 0.000 0.313 795 V C 1.016 177.160 176.094 0.083 0.000 1.393 795 V CA 1.032 63.437 62.300 0.175 0.000 1.125 795 V CB 0.261 32.107 31.823 0.040 0.000 1.037 795 V HN 1.074 nan 8.190 nan 0.000 0.440 796 S N 1.035 116.775 115.700 0.066 0.000 2.564 796 S HA 0.422 4.893 4.470 0.000 0.000 0.278 796 S C -0.118 174.513 174.600 0.051 0.000 1.333 796 S CA 0.033 58.256 58.200 0.039 0.000 1.048 796 S CB 0.740 63.955 63.200 0.024 0.000 0.900 796 S HN 0.805 nan 8.310 nan 0.000 0.505 797 E N 0.867 121.091 120.200 0.039 0.000 2.392 797 E HA 0.605 4.955 4.350 0.000 0.000 0.269 797 E C 0.612 177.237 176.600 0.042 0.000 0.924 797 E CA -0.510 55.919 56.400 0.049 0.000 0.784 797 E CB 1.456 31.182 29.700 0.043 0.000 1.292 797 E HN 0.602 nan 8.360 nan 0.000 0.447 798 A N 0.243 123.092 122.820 0.049 0.000 1.883 798 A HA -0.198 4.122 4.320 0.000 0.000 0.217 798 A C 1.928 179.531 177.584 0.033 0.000 1.186 798 A CA 2.603 54.666 52.037 0.043 0.000 0.624 798 A CB -1.066 17.963 19.000 0.049 0.000 0.822 798 A HN 0.705 nan 8.150 nan 0.000 0.444 799 T N -1.703 112.871 114.554 0.033 0.000 2.857 799 T HA 0.027 4.377 4.350 0.000 0.000 0.266 799 T C 1.125 175.834 174.700 0.015 0.000 1.048 799 T CA 0.892 63.006 62.100 0.024 0.000 1.139 799 T CB -0.094 68.789 68.868 0.026 0.000 0.874 799 T HN 0.367 nan 8.240 nan 0.000 0.455 800 R N 0.840 121.347 120.500 0.013 0.000 2.396 800 R HA 0.523 4.863 4.340 0.000 0.000 0.292 800 R C -0.958 175.344 176.300 0.002 0.000 1.240 800 R CA -0.289 55.812 56.100 0.001 0.000 1.270 800 R CB 0.481 30.774 30.300 -0.011 0.000 1.108 800 R HN 0.357 nan 8.270 nan 0.000 0.573 801 I N 1.244 121.814 120.570 0.001 0.000 2.472 801 I HA 0.051 4.222 4.170 0.000 0.000 0.290 801 I C 0.138 176.246 176.117 -0.015 0.000 1.016 801 I CA -0.114 61.185 61.300 -0.001 0.000 1.348 801 I CB 1.188 39.190 38.000 0.003 0.000 1.417 801 I HN 0.329 nan 8.210 nan 0.000 0.521 802 D N 8.202 128.590 120.400 -0.021 0.000 2.462 802 D HA 0.294 4.934 4.640 0.000 0.000 0.249 802 D C -1.774 174.487 176.300 -0.065 0.000 1.117 802 D CA -2.290 51.687 54.000 -0.038 0.000 0.900 802 D CB 1.355 42.137 40.800 -0.031 0.000 1.039 802 D HN 0.077 nan 8.370 nan 0.000 0.516 803 P HA -0.175 nan 4.420 nan 0.000 0.218 803 P C 0.524 177.732 177.300 -0.153 0.000 1.150 803 P CA 1.068 64.113 63.100 -0.093 0.000 0.841 803 P CB 0.209 31.863 31.700 -0.078 0.000 0.784 804 N N -1.003 117.604 118.700 -0.156 0.000 2.398 804 N HA 0.119 4.859 4.740 0.000 0.000 0.188 804 N C 0.695 176.018 175.510 -0.312 0.000 1.122 804 N CA 0.097 53.004 53.050 -0.239 0.000 0.866 804 N CB -0.004 38.366 38.487 -0.196 0.000 0.970 804 N HN 0.114 nan 8.380 nan 0.000 0.462 805 A N 0.142 122.829 122.820 -0.222 0.000 2.445 805 A HA 0.107 4.428 4.320 0.000 0.000 0.242 805 A C 0.754 178.126 177.584 -0.353 0.000 1.075 805 A CA -0.427 51.484 52.037 -0.210 0.000 0.777 805 A CB 0.210 19.160 19.000 -0.082 0.000 1.013 805 A HN 0.308 nan 8.150 nan 0.000 0.493 806 W N 1.539 122.596 121.300 -0.404 0.000 2.355 806 W HA -0.139 4.521 4.660 0.000 0.000 0.309 806 W C 2.233 178.200 176.519 -0.919 0.000 1.206 806 W CA 1.760 58.588 57.345 -0.862 0.000 1.284 806 W CB -0.303 28.468 29.460 -1.147 0.000 1.145 806 W HN 0.540 nan 8.180 nan 0.000 0.502 807 V N 0.908 120.726 119.914 -0.161 0.000 2.332 807 V HA -0.287 3.833 4.120 0.000 0.000 0.248 807 V C 2.189 178.362 176.094 0.132 0.000 1.055 807 V CA 2.141 64.548 62.300 0.179 0.000 1.038 807 V CB -0.413 31.541 31.823 0.218 0.000 0.651 807 V HN 0.098 nan 8.190 nan 0.000 0.450 808 E N -0.315 119.877 120.200 -0.014 0.000 2.153 808 E HA -0.192 4.158 4.350 0.000 0.000 0.194 808 E C 2.336 178.912 176.600 -0.039 0.000 0.988 808 E CA 1.048 57.440 56.400 -0.014 0.000 0.811 808 E CB -0.254 29.419 29.700 -0.046 0.000 0.746 808 E HN 0.613 nan 8.360 nan 0.000 0.466 809 R N -0.376 120.028 120.500 -0.160 0.000 2.062 809 R HA -0.068 4.272 4.340 0.000 0.000 0.226 809 R C 2.263 178.531 176.300 -0.053 0.000 1.125 809 R CA 0.867 56.852 56.100 -0.192 0.000 0.966 809 R CB -0.172 29.886 30.300 -0.404 0.000 0.861 809 R HN 0.233 nan 8.270 nan 0.000 0.433 810 W N 1.834 123.094 121.300 -0.068 0.000 2.338 810 W HA -0.088 4.572 4.660 0.000 0.000 0.304 810 W C 1.983 178.490 176.519 -0.021 0.000 1.212 810 W CA 0.627 57.850 57.345 -0.204 0.000 1.264 810 W CB -0.646 28.810 29.460 -0.007 0.000 1.142 810 W HN 0.108 nan 8.180 nan 0.000 0.512 811 K N -0.068 120.551 120.400 0.365 0.000 2.009 811 K HA -0.133 4.187 4.320 0.000 0.000 0.210 811 K C 2.218 178.897 176.600 0.133 0.000 1.049 811 K CA 1.891 58.348 56.287 0.284 0.000 0.929 811 K CB -0.597 32.024 32.500 0.201 0.000 0.714 811 K HN -0.008 nan 8.250 nan 0.000 0.440 812 A N 0.975 123.843 122.820 0.080 0.000 2.019 812 A HA -0.082 4.238 4.320 0.000 0.000 0.219 812 A C 2.192 179.796 177.584 0.034 0.000 1.164 812 A CA 1.752 53.818 52.037 0.050 0.000 0.644 812 A CB -0.456 18.561 19.000 0.028 0.000 0.805 812 A HN 0.384 nan 8.150 nan 0.000 0.449 813 A N -2.105 120.730 122.820 0.024 0.000 1.970 813 A HA 0.371 4.691 4.320 0.000 0.000 0.216 813 A C 2.002 179.566 177.584 -0.034 0.000 1.170 813 A CA 1.650 53.718 52.037 0.052 0.000 0.645 813 A CB -0.579 18.467 19.000 0.076 0.000 0.816 813 A HN 1.754 nan 8.150 nan 0.000 0.447 814 G N -2.543 106.154 108.800 -0.172 0.000 2.231 814 G HA2 -0.243 3.717 3.960 0.000 0.000 0.206 814 G HA3 -0.243 3.717 3.960 0.000 0.000 0.206 814 G C 0.787 175.681 174.900 -0.010 0.000 0.996 814 G CA 0.585 45.370 45.100 -0.526 0.000 0.645 814 G HN 0.624 nan 8.290 nan 0.000 0.498 815 H N -0.489 118.541 119.070 -0.068 0.000 2.272 815 H HA -0.265 4.291 4.556 0.000 0.000 0.289 815 H C 2.223 177.528 175.328 -0.039 0.000 1.100 815 H CA 2.100 58.122 56.048 -0.043 0.000 1.209 815 H CB -0.169 29.508 29.762 -0.142 0.000 1.348 815 H HN 0.508 nan 8.280 nan 0.000 0.481 816 Y N 0.961 121.375 120.300 0.190 0.000 2.483 816 Y HA -0.163 4.387 4.550 0.000 0.000 0.291 816 Y C 1.684 177.652 175.900 0.114 0.000 1.143 816 Y CA 1.329 59.501 58.100 0.120 0.000 1.289 816 Y CB 0.060 38.581 38.460 0.101 0.000 0.983 816 Y HN 0.478 nan 8.280 nan 0.000 0.556 817 Q N -1.283 118.656 119.800 0.231 0.000 2.088 817 Q HA 0.534 4.874 4.340 0.000 0.000 0.270 817 Q C -0.177 175.988 176.000 0.274 0.000 0.854 817 Q CA -0.266 55.675 55.803 0.230 0.000 1.104 817 Q CB 0.292 29.156 28.738 0.210 0.000 1.251 817 Q HN 0.102 nan 8.270 nan 0.000 0.436 818 A N 1.256 124.251 122.820 0.291 0.000 2.351 818 A HA 0.352 4.672 4.320 0.000 0.000 0.257 818 A C -0.129 177.721 177.584 0.442 0.000 1.087 818 A CA -0.242 52.016 52.037 0.368 0.000 0.798 818 A CB 0.442 19.669 19.000 0.378 0.000 1.033 818 A HN 0.369 nan 8.150 nan 0.000 0.488 819 E N 0.898 121.306 120.200 0.348 0.000 2.133 819 E HA 0.457 4.807 4.350 0.000 0.000 0.274 819 E C -0.117 176.518 176.600 0.057 0.000 0.930 819 E CA -0.429 56.112 56.400 0.236 0.000 0.770 819 E CB 1.755 31.543 29.700 0.146 0.000 1.104 819 E HN 0.743 nan 8.360 nan 0.000 0.403 820 A N 2.538 125.252 122.820 -0.177 0.000 2.425 820 A HA 0.513 4.833 4.320 0.000 0.000 0.242 820 A C -0.105 177.313 177.584 -0.277 0.000 1.077 820 A CA 0.065 51.640 52.037 -0.771 0.000 0.781 820 A CB 0.421 18.984 19.000 -0.729 0.000 1.020 820 A HN 0.631 nan 8.150 nan 0.000 0.494 821 A N 2.044 124.706 122.820 -0.263 0.000 2.547 821 A HA 0.513 4.833 4.320 0.000 0.000 0.279 821 A C -0.572 176.920 177.584 -0.152 0.000 1.088 821 A CA -0.594 51.367 52.037 -0.126 0.000 0.796 821 A CB 0.394 19.350 19.000 -0.074 0.000 1.308 821 A HN 1.170 nan 8.150 nan 0.000 0.415 822 L N 2.289 123.372 121.223 -0.233 0.000 2.653 822 L HA 0.005 4.345 4.340 0.000 0.000 0.288 822 L C 0.723 177.457 176.870 -0.226 0.000 1.243 822 L CA 0.538 55.141 54.840 -0.396 0.000 0.906 822 L CB -0.072 41.771 42.059 -0.359 0.000 1.154 822 L HN 0.812 nan 8.230 nan 0.000 0.498 823 L N 2.975 124.069 121.223 -0.215 0.000 2.685 823 L HA 0.252 4.592 4.340 0.000 0.000 0.235 823 L C 0.294 177.108 176.870 -0.093 0.000 1.070 823 L CA 0.068 54.846 54.840 -0.104 0.000 0.888 823 L CB 0.307 42.340 42.059 -0.043 0.000 1.203 823 L HN 0.787 nan 8.230 nan 0.000 0.499 824 Q N -0.431 119.290 119.800 -0.132 0.000 2.541 824 Q HA 0.183 4.523 4.340 0.000 0.000 0.259 824 Q C -1.935 174.011 176.000 -0.091 0.000 0.974 824 Q CA -0.544 55.209 55.803 -0.084 0.000 0.955 824 Q CB 2.227 30.944 28.738 -0.036 0.000 1.517 824 Q HN 0.024 nan 8.270 nan 0.000 0.412 825 C N 4.048 123.322 119.300 -0.043 0.000 3.287 825 C HA 0.611 5.071 4.460 0.000 0.000 0.260 825 C C 0.181 175.239 174.990 0.112 0.000 1.133 825 C CA 0.592 59.617 59.018 0.012 0.000 1.402 825 C CB -0.039 27.704 27.740 0.005 0.000 1.832 825 C HN 0.830 nan 8.230 nan 0.000 0.509 826 T N 1.759 116.323 114.554 0.016 0.000 2.880 826 T HA 0.881 5.231 4.350 0.000 0.000 0.279 826 T C -0.128 174.386 174.700 -0.310 0.000 0.990 826 T CA 0.150 62.224 62.100 -0.045 0.000 0.938 826 T CB 1.828 70.667 68.868 -0.049 0.000 1.206 826 T HN 1.884 nan 8.240 nan 0.000 0.573 827 A N 1.073 123.644 122.820 -0.414 0.000 2.547 827 A HA 0.626 4.946 4.320 0.000 0.000 0.298 827 A C -1.818 175.559 177.584 -0.346 0.000 1.062 827 A CA -0.854 50.820 52.037 -0.606 0.000 0.748 827 A CB 1.144 19.354 19.000 -1.317 0.000 1.288 827 A HN 0.868 nan 8.150 nan 0.000 0.396 828 D N 0.216 120.459 120.400 -0.261 0.000 2.661 828 D HA 0.662 5.302 4.640 0.000 0.000 0.228 828 D C -0.825 175.398 176.300 -0.129 0.000 1.183 828 D CA -0.118 53.788 54.000 -0.157 0.000 0.844 828 D CB 1.992 42.727 40.800 -0.108 0.000 1.555 828 D HN 0.354 nan 8.370 nan 0.000 0.453 829 T N 1.471 115.976 114.554 -0.081 0.000 2.771 829 T HA 0.568 4.918 4.350 0.000 0.000 0.281 829 T C -0.599 174.078 174.700 -0.038 0.000 0.982 829 T CA -0.482 61.587 62.100 -0.052 0.000 0.978 829 T CB 0.602 69.458 68.868 -0.020 0.000 0.930 829 T HN 0.056 nan 8.240 nan 0.000 0.447 830 L N 1.762 122.964 121.223 -0.035 0.000 2.313 830 L HA 0.653 4.993 4.340 0.000 0.000 0.268 830 L C 1.624 178.484 176.870 -0.017 0.000 1.010 830 L CA -0.441 54.382 54.840 -0.027 0.000 0.814 830 L CB 0.697 42.737 42.059 -0.032 0.000 1.304 830 L HN 0.718 nan 8.230 nan 0.000 0.441 831 A N 0.211 123.024 122.820 -0.013 0.000 1.986 831 A HA -0.192 4.128 4.320 0.000 0.000 0.220 831 A C 1.194 178.774 177.584 -0.008 0.000 1.171 831 A CA 2.416 54.449 52.037 -0.008 0.000 0.640 831 A CB -0.696 18.300 19.000 -0.007 0.000 0.811 831 A HN 0.911 nan 8.150 nan 0.000 0.451 832 D N -2.386 118.007 120.400 -0.012 0.000 2.454 832 D HA 0.527 5.168 4.640 0.000 0.000 0.214 832 D C 0.384 176.674 176.300 -0.017 0.000 1.088 832 D CA 0.803 54.795 54.000 -0.013 0.000 0.855 832 D CB 0.618 41.410 40.800 -0.013 0.000 1.025 832 D HN 0.520 nan 8.370 nan 0.000 0.502 833 A N -0.097 122.708 122.820 -0.024 0.000 2.566 833 A HA 0.539 4.860 4.320 0.000 0.000 0.290 833 A C -1.429 176.124 177.584 -0.052 0.000 1.071 833 A CA -0.763 51.251 52.037 -0.038 0.000 0.658 833 A CB 0.695 19.668 19.000 -0.044 0.000 1.285 833 A HN -0.080 nan 8.150 nan 0.000 0.427 834 V N 0.466 120.336 119.914 -0.074 0.000 2.607 834 V HA 0.542 4.662 4.120 0.000 0.000 0.289 834 V C -0.363 175.658 176.094 -0.121 0.000 1.053 834 V CA -0.222 62.018 62.300 -0.100 0.000 0.996 834 V CB 1.181 32.939 31.823 -0.109 0.000 0.995 834 V HN 0.826 nan 8.190 nan 0.000 0.476 835 L N 6.049 127.185 121.223 -0.145 0.000 2.372 835 L HA 0.583 4.923 4.340 0.000 0.000 0.273 835 L C -0.536 176.213 176.870 -0.200 0.000 0.989 835 L CA -0.058 54.702 54.840 -0.134 0.000 0.841 835 L CB 1.104 43.106 42.059 -0.095 0.000 1.225 835 L HN 0.416 nan 8.230 nan 0.000 0.414 836 I N 3.227 123.674 120.570 -0.204 0.000 2.499 836 I HA 0.514 4.684 4.170 0.000 0.000 0.296 836 I C 0.125 176.188 176.117 -0.090 0.000 0.992 836 I CA -0.308 60.800 61.300 -0.320 0.000 1.297 836 I CB 1.320 38.859 38.000 -0.768 0.000 1.410 836 I HN 0.554 nan 8.210 nan 0.000 0.507 837 T N 3.374 117.868 114.554 -0.101 0.000 3.143 837 T HA 0.445 4.795 4.350 0.000 0.000 0.312 837 T C -0.125 174.596 174.700 0.036 0.000 0.986 837 T CA -0.521 61.584 62.100 0.009 0.000 1.024 837 T CB 1.497 70.350 68.868 -0.025 0.000 1.030 837 T HN 0.931 nan 8.240 nan 0.000 0.448 838 T N 0.323 114.956 114.554 0.132 0.000 2.926 838 T HA 0.924 5.275 4.350 0.000 0.000 0.289 838 T C -1.117 173.666 174.700 0.139 0.000 1.054 838 T CA -0.966 61.205 62.100 0.118 0.000 1.015 838 T CB 2.095 71.098 68.868 0.225 0.000 1.167 838 T HN 0.804 nan 8.240 nan 0.000 0.526 839 A N 1.825 124.686 122.820 0.068 0.000 2.485 839 A HA 0.658 4.979 4.320 0.000 0.000 0.285 839 A C -1.468 176.152 177.584 0.061 0.000 1.045 839 A CA -0.772 51.344 52.037 0.132 0.000 0.792 839 A CB 0.451 19.498 19.000 0.078 0.000 1.307 839 A HN 0.966 nan 8.150 nan 0.000 0.406 840 H N 0.562 119.693 119.070 0.101 0.000 2.731 840 H HA 0.844 5.400 4.556 0.000 0.000 0.368 840 H C 0.101 175.475 175.328 0.076 0.000 1.168 840 H CA -0.023 56.008 56.048 -0.029 0.000 1.181 840 H CB 2.030 31.632 29.762 -0.266 0.000 1.743 840 H HN 0.946 nan 8.280 nan 0.000 0.547 841 A N 1.664 124.551 122.820 0.113 0.000 2.343 841 A HA 0.436 4.756 4.320 0.000 0.000 0.316 841 A C -1.233 176.426 177.584 0.125 0.000 1.104 841 A CA -0.737 51.419 52.037 0.198 0.000 0.768 841 A CB 0.987 20.059 19.000 0.121 0.000 1.213 841 A HN 0.576 nan 8.150 nan 0.000 0.456 842 W N 2.168 123.584 121.300 0.193 0.000 2.433 842 W HA 0.396 5.056 4.660 0.000 0.000 0.315 842 W C -0.098 176.434 176.519 0.022 0.000 1.087 842 W CA -0.199 57.244 57.345 0.164 0.000 1.205 842 W CB 1.590 31.212 29.460 0.271 0.000 1.288 842 W HN 0.768 nan 8.180 nan 0.000 0.504 843 Q N 1.228 121.164 119.800 0.226 0.000 2.572 843 Q HA 0.505 4.845 4.340 0.000 0.000 0.284 843 Q C -0.919 175.206 176.000 0.208 0.000 1.091 843 Q CA -0.956 54.929 55.803 0.138 0.000 0.840 843 Q CB 3.366 32.152 28.738 0.081 0.000 1.433 843 Q HN 0.436 nan 8.270 nan 0.000 0.471 844 H N 0.433 119.528 119.070 0.042 0.000 3.174 844 H HA 0.007 4.563 4.556 0.000 0.000 0.307 844 H C -1.097 174.257 175.328 0.044 0.000 1.116 844 H CA 0.051 56.133 56.048 0.056 0.000 1.489 844 H CB 0.912 30.714 29.762 0.066 0.000 2.104 844 H HN 0.847 nan 8.280 nan 0.000 0.414 845 Q N 3.131 122.624 119.800 -0.511 0.000 2.435 845 Q HA -0.245 4.095 4.340 0.000 0.000 0.312 845 Q C 0.971 176.905 176.000 -0.110 0.000 1.333 845 Q CA 1.269 56.865 55.803 -0.345 0.000 0.883 845 Q CB -1.470 27.009 28.738 -0.433 0.000 1.170 845 Q HN 1.140 nan 8.270 nan 0.000 0.443 846 G N -0.295 108.468 108.800 -0.062 0.000 2.179 846 G HA2 -0.380 3.580 3.960 0.000 0.000 0.260 846 G HA3 -0.380 3.580 3.960 0.000 0.000 0.260 846 G C 0.038 174.941 174.900 0.005 0.000 0.977 846 G CA 0.789 45.878 45.100 -0.018 0.000 0.641 846 G HN 0.469 nan 8.290 nan 0.000 0.533 847 K N 0.642 121.054 120.400 0.019 0.000 2.208 847 K HA 0.712 5.032 4.320 0.000 0.000 0.247 847 K C -0.251 176.360 176.600 0.018 0.000 0.953 847 K CA -0.175 56.127 56.287 0.026 0.000 0.837 847 K CB 1.304 33.829 32.500 0.042 0.000 1.131 847 K HN 0.012 nan 8.250 nan 0.000 0.431 848 T N 4.842 119.396 114.554 -0.000 0.000 2.753 848 T HA 0.285 4.635 4.350 0.000 0.000 0.297 848 T C 0.975 175.608 174.700 -0.111 0.000 0.981 848 T CA -0.674 61.415 62.100 -0.019 0.000 0.956 848 T CB 0.546 69.428 68.868 0.023 0.000 0.936 848 T HN 0.550 nan 8.240 nan 0.000 0.463 849 L N 1.598 122.630 121.223 -0.318 0.000 2.102 849 L HA 0.324 4.664 4.340 0.000 0.000 0.202 849 L C -0.202 176.158 176.870 -0.851 0.000 1.076 849 L CA 0.908 55.282 54.840 -0.776 0.000 0.761 849 L CB -0.060 41.078 42.059 -1.535 0.000 0.921 849 L HN 0.472 nan 8.230 nan 0.000 0.444 850 F N -1.063 118.826 119.950 -0.102 0.000 2.613 850 F HA 0.588 5.115 4.527 0.000 0.000 0.310 850 F C -0.493 175.401 175.800 0.158 0.000 1.085 850 F CA -1.162 56.757 58.000 -0.135 0.000 0.945 850 F CB 1.498 40.117 39.000 -0.635 0.000 1.298 850 F HN -0.313 nan 8.300 nan 0.000 0.455 851 I N 1.286 122.090 120.570 0.390 0.000 2.498 851 I HA 0.477 4.647 4.170 0.000 0.000 0.290 851 I C -0.724 175.657 176.117 0.440 0.000 1.032 851 I CA -0.543 60.994 61.300 0.396 0.000 1.073 851 I CB 2.227 40.376 38.000 0.249 0.000 1.251 851 I HN 0.579 nan 8.210 nan 0.000 0.426 852 S N 6.357 122.394 115.700 0.562 0.000 2.502 852 S HA 0.642 5.112 4.470 0.000 0.000 0.304 852 S C -0.826 174.010 174.600 0.393 0.000 1.097 852 S CA -0.651 57.863 58.200 0.523 0.000 1.045 852 S CB 0.910 64.546 63.200 0.726 0.000 1.019 852 S HN 0.566 nan 8.310 nan 0.000 0.481 853 R N 3.288 123.950 120.500 0.270 0.000 2.502 853 R HA 0.489 4.829 4.340 0.000 0.000 0.300 853 R C -0.955 175.414 176.300 0.114 0.000 0.984 853 R CA -0.776 55.442 56.100 0.196 0.000 0.882 853 R CB 1.948 32.339 30.300 0.153 0.000 1.180 853 R HN 0.556 nan 8.270 nan 0.000 0.444 854 K N 0.869 121.339 120.400 0.117 0.000 2.400 854 K HA 0.520 4.840 4.320 0.000 0.000 0.246 854 K C -0.591 176.006 176.600 -0.005 0.000 0.995 854 K CA -1.011 55.266 56.287 -0.015 0.000 0.840 854 K CB 2.398 34.851 32.500 -0.078 0.000 1.293 854 K HN 0.554 nan 8.250 nan 0.000 0.445 855 T N -1.050 113.434 114.554 -0.117 0.000 2.890 855 T HA 0.441 4.791 4.350 0.000 0.000 0.295 855 T C -1.104 173.545 174.700 -0.086 0.000 0.993 855 T CA -0.756 61.322 62.100 -0.036 0.000 0.979 855 T CB 0.024 68.886 68.868 -0.011 0.000 0.967 855 T HN 0.345 nan 8.240 nan 0.000 0.441 856 Y N 1.873 122.138 120.300 -0.058 0.000 2.334 856 Y HA 0.715 5.265 4.550 0.000 0.000 0.328 856 Y C 0.863 176.708 175.900 -0.092 0.000 1.130 856 Y CA -1.452 56.626 58.100 -0.037 0.000 1.163 856 Y CB 1.528 40.004 38.460 0.026 0.000 1.207 856 Y HN 0.776 nan 8.280 nan 0.000 0.471 857 R N 3.463 124.007 120.500 0.072 0.000 2.797 857 R HA 0.462 4.802 4.340 0.000 0.000 0.274 857 R C -2.084 174.173 176.300 -0.071 0.000 1.652 857 R CA -0.176 55.912 56.100 -0.020 0.000 1.175 857 R CB 0.125 30.417 30.300 -0.013 0.000 1.283 857 R HN 0.803 nan 8.270 nan 0.000 0.513 858 I N 4.897 125.369 120.570 -0.164 0.000 2.337 858 I HA 0.156 4.326 4.170 0.000 0.000 0.291 858 I C 0.192 176.200 176.117 -0.182 0.000 1.046 858 I CA -0.322 60.796 61.300 -0.303 0.000 1.324 858 I CB 0.674 38.291 38.000 -0.638 0.000 1.409 858 I HN 0.628 nan 8.210 nan 0.000 0.494 859 D N 4.671 125.000 120.400 -0.119 0.000 2.569 859 D HA 0.212 4.852 4.640 0.000 0.000 0.266 859 D C 1.299 177.589 176.300 -0.017 0.000 1.164 859 D CA -0.723 53.245 54.000 -0.054 0.000 1.071 859 D CB 0.900 41.683 40.800 -0.028 0.000 1.183 859 D HN 0.467 nan 8.370 nan 0.000 0.613 860 G N -0.848 107.952 108.800 0.000 0.000 2.516 860 G HA2 -0.221 3.739 3.960 0.000 0.000 0.221 860 G HA3 -0.221 3.739 3.960 0.000 0.000 0.221 860 G C 1.185 176.109 174.900 0.041 0.000 1.107 860 G CA 0.874 45.988 45.100 0.022 0.000 0.747 860 G HN 0.409 nan 8.290 nan 0.000 0.567 861 S N -0.668 115.053 115.700 0.035 0.000 2.528 861 S HA 0.331 4.801 4.470 0.000 0.000 0.219 861 S C 1.830 176.486 174.600 0.094 0.000 0.985 861 S CA 0.809 59.041 58.200 0.054 0.000 0.914 861 S CB 0.143 63.367 63.200 0.040 0.000 0.776 861 S HN 1.213 nan 8.310 nan 0.000 0.526 862 G N 1.505 110.370 108.800 0.107 0.000 2.136 862 G HA2 -0.221 3.739 3.960 0.000 0.000 0.242 862 G HA3 -0.221 3.739 3.960 0.000 0.000 0.242 862 G C -0.230 174.781 174.900 0.186 0.000 0.989 862 G CA -0.308 44.930 45.100 0.231 0.000 0.682 862 G HN 0.490 nan 8.290 nan 0.000 0.522 863 Q N -0.242 119.601 119.800 0.072 0.000 2.340 863 Q HA 0.555 4.895 4.340 0.000 0.000 0.259 863 Q C 0.161 176.160 176.000 -0.001 0.000 0.964 863 Q CA -0.346 55.498 55.803 0.067 0.000 0.900 863 Q CB 1.306 30.080 28.738 0.060 0.000 1.228 863 Q HN 0.452 nan 8.270 nan 0.000 0.449 864 M N 2.724 122.341 119.600 0.029 0.000 2.055 864 M HA 0.437 4.917 4.480 0.000 0.000 0.347 864 M C -1.053 175.310 176.300 0.105 0.000 1.123 864 M CA -0.461 54.837 55.300 -0.003 0.000 1.035 864 M CB 0.701 33.284 32.600 -0.028 0.000 1.484 864 M HN 0.637 nan 8.290 nan 0.000 0.428 865 A N 7.251 130.108 122.820 0.063 0.000 2.309 865 A HA 0.588 4.908 4.320 0.000 0.000 0.290 865 A C -0.484 177.111 177.584 0.018 0.000 1.206 865 A CA -0.541 51.531 52.037 0.059 0.000 0.850 865 A CB 0.037 19.058 19.000 0.035 0.000 1.118 865 A HN 0.910 nan 8.150 nan 0.000 0.523 866 I N 1.957 122.520 120.570 -0.012 0.000 2.392 866 I HA 0.322 4.492 4.170 0.000 0.000 0.295 866 I C 0.043 176.024 176.117 -0.227 0.000 0.985 866 I CA -0.247 60.944 61.300 -0.182 0.000 1.221 866 I CB 1.973 39.864 38.000 -0.182 0.000 1.366 866 I HN 0.457 nan 8.210 nan 0.000 0.467 867 T N 5.713 120.090 114.554 -0.295 0.000 2.809 867 T HA 0.441 4.791 4.350 0.000 0.000 0.296 867 T C -0.365 174.109 174.700 -0.376 0.000 1.015 867 T CA -0.331 61.598 62.100 -0.285 0.000 0.954 867 T CB 1.095 69.892 68.868 -0.117 0.000 0.950 867 T HN 0.234 nan 8.240 nan 0.000 0.450 868 V N 4.315 123.856 119.914 -0.622 0.000 2.459 868 V HA 0.533 4.653 4.120 0.000 0.000 0.295 868 V C -0.372 175.508 176.094 -0.358 0.000 1.029 868 V CA -0.861 61.104 62.300 -0.558 0.000 0.874 868 V CB 1.873 33.134 31.823 -0.938 0.000 0.985 868 V HN 0.778 nan 8.190 nan 0.000 0.438 869 D N 3.358 123.727 120.400 -0.052 0.000 2.421 869 D HA 0.372 5.012 4.640 0.000 0.000 0.254 869 D C -0.676 175.739 176.300 0.193 0.000 1.238 869 D CA -0.069 54.007 54.000 0.127 0.000 0.919 869 D CB 2.424 43.338 40.800 0.190 0.000 1.152 869 D HN 0.270 nan 8.370 nan 0.000 0.552 870 V N 1.833 121.900 119.914 0.256 0.000 2.686 870 V HA 0.317 4.437 4.120 0.000 0.000 0.295 870 V C 0.481 176.703 176.094 0.213 0.000 1.057 870 V CA -0.404 62.057 62.300 0.270 0.000 1.012 870 V CB 1.979 33.991 31.823 0.314 0.000 1.006 870 V HN 0.355 nan 8.190 nan 0.000 0.477 871 E N 1.805 122.125 120.200 0.199 0.000 2.224 871 E HA 0.577 4.927 4.350 0.000 0.000 0.265 871 E C -1.693 175.015 176.600 0.180 0.000 0.878 871 E CA -0.472 56.022 56.400 0.157 0.000 0.759 871 E CB 2.412 32.197 29.700 0.142 0.000 1.164 871 E HN 0.472 nan 8.360 nan 0.000 0.414 872 V N 1.914 121.929 119.914 0.169 0.000 2.495 872 V HA 0.463 4.583 4.120 0.000 0.000 0.298 872 V C 0.126 176.306 176.094 0.144 0.000 1.031 872 V CA -1.017 61.415 62.300 0.219 0.000 0.871 872 V CB 1.555 33.528 31.823 0.249 0.000 0.988 872 V HN 0.815 nan 8.190 nan 0.000 0.432 873 A N 3.156 126.035 122.820 0.099 0.000 2.522 873 A HA 0.288 4.608 4.320 0.000 0.000 0.256 873 A C 1.671 179.321 177.584 0.111 0.000 1.086 873 A CA 0.587 52.664 52.037 0.068 0.000 0.763 873 A CB 0.168 19.175 19.000 0.013 0.000 1.024 873 A HN 1.410 nan 8.150 nan 0.000 0.502 874 S N 1.757 117.515 115.700 0.098 0.000 2.440 874 S HA -0.188 4.282 4.470 0.000 0.000 0.240 874 S C 0.828 175.511 174.600 0.138 0.000 1.014 874 S CA 1.588 59.858 58.200 0.117 0.000 0.980 874 S CB -0.347 62.902 63.200 0.081 0.000 0.775 874 S HN 0.818 nan 8.310 nan 0.000 0.499 875 D N 0.068 120.534 120.400 0.110 0.000 2.491 875 D HA 0.208 4.848 4.640 0.000 0.000 0.228 875 D C 0.128 176.499 176.300 0.118 0.000 1.183 875 D CA -0.183 53.877 54.000 0.100 0.000 0.827 875 D CB -0.180 40.659 40.800 0.065 0.000 0.989 875 D HN 0.238 nan 8.370 nan 0.000 0.494 876 T N 0.900 115.561 114.554 0.178 0.000 2.855 876 T HA 0.448 4.798 4.350 0.000 0.000 0.281 876 T C -2.744 172.159 174.700 0.339 0.000 1.007 876 T CA -2.150 60.093 62.100 0.238 0.000 1.009 876 T CB 1.310 70.323 68.868 0.242 0.000 0.983 876 T HN -0.195 nan 8.240 nan 0.000 0.455 877 P HA 0.060 nan 4.420 nan 0.000 0.260 877 P C -0.390 177.300 177.300 0.650 0.000 1.172 877 P CA 0.010 63.291 63.100 0.302 0.000 0.760 877 P CB 0.017 31.838 31.700 0.201 0.000 0.773 878 H N 3.931 123.349 119.070 0.580 0.000 3.092 878 H HA 0.026 4.582 4.556 0.000 0.000 0.332 878 H C -1.865 173.817 175.328 0.591 0.000 1.029 878 H CA -1.148 55.198 56.048 0.496 0.000 1.376 878 H CB -1.035 28.970 29.762 0.405 0.000 1.329 878 H HN 0.360 nan 8.280 nan 0.000 0.598 879 P HA 0.171 nan 4.420 nan 0.000 0.284 879 P C 0.186 177.377 177.300 -0.181 0.000 1.258 879 P CA -0.470 62.687 63.100 0.094 0.000 0.824 879 P CB 1.060 32.703 31.700 -0.096 0.000 1.038 880 A N 3.243 125.679 122.820 -0.641 0.000 2.024 880 A HA -0.120 4.200 4.320 0.000 0.000 0.220 880 A C 1.047 178.293 177.584 -0.564 0.000 1.164 880 A CA 1.515 53.180 52.037 -0.619 0.000 0.643 880 A CB -0.638 17.828 19.000 -0.890 0.000 0.806 880 A HN 0.768 nan 8.150 nan 0.000 0.451 881 R N -3.169 117.013 120.500 -0.531 0.000 2.752 881 R HA 0.682 5.022 4.340 0.000 0.000 0.277 881 R C -1.925 174.141 176.300 -0.389 0.000 1.024 881 R CA -0.848 54.940 56.100 -0.519 0.000 0.866 881 R CB 0.477 30.343 30.300 -0.724 0.000 1.278 881 R HN 0.035 nan 8.270 nan 0.000 0.473 882 I N 1.091 121.450 120.570 -0.352 0.000 2.560 882 I HA 0.627 4.797 4.170 0.000 0.000 0.278 882 I C -0.387 175.486 176.117 -0.407 0.000 1.089 882 I CA -0.301 60.818 61.300 -0.301 0.000 1.086 882 I CB 1.784 39.650 38.000 -0.225 0.000 1.202 882 I HN 0.990 nan 8.210 nan 0.000 0.471 883 G N 5.559 114.093 108.800 -0.443 0.000 2.578 883 G HA2 0.770 4.730 3.960 0.000 0.000 0.302 883 G HA3 0.770 4.730 3.960 0.000 0.000 0.302 883 G C -1.824 172.896 174.900 -0.299 0.000 1.243 883 G CA -0.561 44.308 45.100 -0.386 0.000 0.843 883 G HN 0.256 nan 8.290 nan 0.000 0.486 884 L N 0.735 121.828 121.223 -0.216 0.000 2.376 884 L HA 0.629 4.969 4.340 0.000 0.000 0.258 884 L C -0.769 175.996 176.870 -0.175 0.000 1.013 884 L CA -1.110 53.617 54.840 -0.188 0.000 0.822 884 L CB 2.569 44.589 42.059 -0.065 0.000 1.388 884 L HN 0.818 nan 8.230 nan 0.000 0.413 885 N N 0.447 119.068 118.700 -0.132 0.000 2.629 885 N HA 0.817 5.557 4.740 0.000 0.000 0.279 885 N C -1.133 174.388 175.510 0.019 0.000 1.344 885 N CA -0.696 52.327 53.050 -0.044 0.000 0.789 885 N CB 2.195 40.694 38.487 0.020 0.000 1.508 885 N HN 0.892 nan 8.380 nan 0.000 0.516 886 C N -2.286 117.053 119.300 0.064 0.000 3.292 886 C HA 0.472 4.932 4.460 0.000 0.000 0.368 886 C C -1.230 173.584 174.990 -0.293 0.000 1.141 886 C CA -0.912 58.083 59.018 -0.038 0.000 1.194 886 C CB 0.799 28.547 27.740 0.012 0.000 1.533 886 C HN 0.843 nan 8.230 nan 0.000 0.532 887 Q N 2.319 121.718 119.800 -0.669 0.000 2.390 887 Q HA 0.524 4.864 4.340 0.000 0.000 0.249 887 Q C -0.387 175.310 176.000 -0.505 0.000 0.996 887 Q CA -0.375 54.777 55.803 -1.086 0.000 0.899 887 Q CB 0.682 28.383 28.738 -1.729 0.000 1.216 887 Q HN 0.800 nan 8.270 nan 0.000 0.465 888 L N 1.839 122.884 121.223 -0.296 0.000 2.482 888 L HA 0.094 4.434 4.340 0.000 0.000 0.273 888 L C 1.007 177.805 176.870 -0.121 0.000 1.228 888 L CA 0.092 54.874 54.840 -0.097 0.000 0.827 888 L CB 0.427 42.532 42.059 0.078 0.000 1.099 888 L HN 0.739 nan 8.230 nan 0.000 0.494 889 A N 1.317 124.096 122.820 -0.068 0.000 2.303 889 A HA 0.075 4.395 4.320 0.000 0.000 0.217 889 A C 0.604 178.157 177.584 -0.051 0.000 1.205 889 A CA 0.041 52.026 52.037 -0.087 0.000 0.875 889 A CB 0.081 19.016 19.000 -0.109 0.000 0.910 889 A HN 0.747 nan 8.150 nan 0.000 0.501 890 Q N -0.509 119.286 119.800 -0.009 0.000 2.212 890 Q HA 0.598 4.938 4.340 0.000 0.000 0.238 890 Q C -1.246 174.738 176.000 -0.027 0.000 0.955 890 Q CA -0.232 55.550 55.803 -0.034 0.000 0.906 890 Q CB 1.516 30.238 28.738 -0.028 0.000 1.215 890 Q HN 0.083 nan 8.270 nan 0.000 0.478 891 V N 2.193 122.059 119.914 -0.081 0.000 2.559 891 V HA 0.740 4.860 4.120 0.000 0.000 0.289 891 V C -1.109 174.940 176.094 -0.076 0.000 1.036 891 V CA -0.113 62.185 62.300 -0.002 0.000 0.887 891 V CB 1.268 33.106 31.823 0.026 0.000 1.022 891 V HN 0.925 nan 8.190 nan 0.000 0.442 892 A N 3.397 126.134 122.820 -0.139 0.000 2.299 892 A HA 0.878 5.198 4.320 0.000 0.000 0.332 892 A C 0.766 178.441 177.584 0.151 0.000 1.131 892 A CA -0.339 51.643 52.037 -0.093 0.000 0.844 892 A CB 1.242 20.032 19.000 -0.349 0.000 1.251 892 A HN 0.645 nan 8.150 nan 0.000 0.486 893 E N 0.574 120.832 120.200 0.096 0.000 2.006 893 E HA -0.058 4.292 4.350 0.000 0.000 0.192 893 E C 0.768 177.470 176.600 0.170 0.000 0.993 893 E CA 1.277 57.744 56.400 0.112 0.000 0.808 893 E CB -0.106 29.634 29.700 0.066 0.000 0.764 893 E HN 0.627 nan 8.360 nan 0.000 0.449 894 R N -0.467 120.144 120.500 0.185 0.000 2.602 894 R HA 0.590 4.930 4.340 0.000 0.000 0.237 894 R C -0.419 176.075 176.300 0.323 0.000 1.219 894 R CA -0.746 55.483 56.100 0.216 0.000 1.121 894 R CB 1.055 31.455 30.300 0.167 0.000 1.408 894 R HN -0.111 nan 8.270 nan 0.000 0.559 895 V N 0.890 120.981 119.914 0.296 0.000 2.808 895 V HA 0.324 4.444 4.120 0.000 0.000 0.308 895 V C -0.809 175.537 176.094 0.420 0.000 1.099 895 V CA -0.936 61.562 62.300 0.331 0.000 0.920 895 V CB 2.105 34.060 31.823 0.221 0.000 1.014 895 V HN 0.753 nan 8.190 nan 0.000 0.425 896 N N 3.238 122.186 118.700 0.413 0.000 2.260 896 N HA 0.562 5.302 4.740 0.000 0.000 0.293 896 N C -1.587 174.184 175.510 0.436 0.000 1.058 896 N CA -0.458 52.806 53.050 0.356 0.000 0.824 896 N CB 2.974 41.562 38.487 0.167 0.000 1.551 896 N HN 0.813 nan 8.380 nan 0.000 0.475 897 W N 2.815 124.159 121.300 0.074 0.000 3.074 897 W HA 0.604 5.264 4.660 0.000 0.000 0.332 897 W C -2.057 174.446 176.519 -0.026 0.000 1.253 897 W CA -1.066 56.308 57.345 0.047 0.000 1.180 897 W CB 0.758 30.290 29.460 0.119 0.000 1.445 897 W HN 0.269 nan 8.180 nan 0.000 0.573 898 L N 3.914 125.125 121.223 -0.019 0.000 2.387 898 L HA 0.869 5.209 4.340 0.000 0.000 0.259 898 L C -0.146 176.651 176.870 -0.122 0.000 1.050 898 L CA 0.251 54.918 54.840 -0.288 0.000 0.922 898 L CB 0.487 42.404 42.059 -0.237 0.000 1.280 898 L HN 0.910 nan 8.230 nan 0.000 0.449 899 G N 2.992 111.747 108.800 -0.075 0.000 2.772 899 G HA2 0.351 4.311 3.960 0.000 0.000 0.284 899 G HA3 0.351 4.311 3.960 0.000 0.000 0.284 899 G C -1.477 173.597 174.900 0.290 0.000 1.217 899 G CA -0.904 44.340 45.100 0.242 0.000 0.831 899 G HN 0.234 nan 8.290 nan 0.000 0.523 900 L N 1.145 122.573 121.223 0.342 0.000 2.305 900 L HA 0.636 4.976 4.340 0.000 0.000 0.281 900 L C 0.865 177.841 176.870 0.176 0.000 1.085 900 L CA 0.227 55.208 54.840 0.235 0.000 0.813 900 L CB 0.934 43.052 42.059 0.098 0.000 1.157 900 L HN 0.889 nan 8.230 nan 0.000 0.436 901 G N 2.954 111.693 108.800 -0.102 0.000 2.634 901 G HA2 0.396 4.356 3.960 0.000 0.000 0.309 901 G HA3 0.396 4.356 3.960 0.000 0.000 0.309 901 G C -2.751 171.428 174.900 -1.202 0.000 1.299 901 G CA -0.347 44.277 45.100 -0.793 0.000 0.798 901 G HN 0.302 nan 8.290 nan 0.000 0.490 902 P HA 0.154 nan 4.420 nan 0.000 0.255 902 P C 0.118 177.190 177.300 -0.380 0.000 1.248 902 P CA 0.418 62.894 63.100 -1.040 0.000 0.807 902 P CB 0.606 31.803 31.700 -0.838 0.000 1.150 903 Q N 0.627 120.217 119.800 -0.350 0.000 2.205 903 Q HA 0.179 4.519 4.340 0.000 0.000 0.249 903 Q C 0.384 176.252 176.000 -0.219 0.000 0.948 903 Q CA -0.750 54.914 55.803 -0.231 0.000 0.895 903 Q CB 1.537 30.165 28.738 -0.184 0.000 1.249 903 Q HN 0.182 nan 8.270 nan 0.000 0.458 904 E N 1.787 121.868 120.200 -0.198 0.000 2.604 904 E HA -0.153 4.197 4.350 0.000 0.000 0.267 904 E C -1.146 175.371 176.600 -0.138 0.000 0.970 904 E CA 0.513 56.797 56.400 -0.195 0.000 0.956 904 E CB 0.223 29.879 29.700 -0.073 0.000 0.939 904 E HN 0.690 nan 8.360 nan 0.000 0.465 905 N N 2.269 120.820 118.700 -0.248 0.000 2.452 905 N HA 0.271 5.011 4.740 0.000 0.000 0.277 905 N C -1.870 173.436 175.510 -0.340 0.000 1.078 905 N CA -0.719 52.244 53.050 -0.145 0.000 0.947 905 N CB 0.581 38.982 38.487 -0.144 0.000 1.655 905 N HN 0.267 nan 8.380 nan 0.000 0.490 906 Y N 0.482 120.657 120.300 -0.208 0.000 2.631 906 Y HA 0.551 5.101 4.550 0.000 0.000 0.328 906 Y C -1.480 174.309 175.900 -0.185 0.000 1.118 906 Y CA -2.234 55.719 58.100 -0.244 0.000 1.206 906 Y CB 0.831 39.126 38.460 -0.275 0.000 1.337 906 Y HN 0.419 nan 8.280 nan 0.000 0.515 907 P HA -0.139 nan 4.420 nan 0.000 0.218 907 P C 0.123 177.313 177.300 -0.184 0.000 1.148 907 P CA 1.847 64.952 63.100 0.007 0.000 0.822 907 P CB 0.152 31.948 31.700 0.160 0.000 0.784 908 D N -1.482 118.630 120.400 -0.481 0.000 2.491 908 D HA 0.078 4.718 4.640 0.000 0.000 0.228 908 D C 0.410 176.551 176.300 -0.265 0.000 1.183 908 D CA -0.268 53.260 54.000 -0.788 0.000 0.827 908 D CB -0.193 39.781 40.800 -1.377 0.000 0.989 908 D HN 0.129 nan 8.370 nan 0.000 0.494 909 R N 1.070 121.508 120.500 -0.103 0.000 3.021 909 R HA 0.156 4.496 4.340 0.000 0.000 0.206 909 R C -0.977 175.335 176.300 0.021 0.000 1.593 909 R CA -0.163 55.930 56.100 -0.011 0.000 1.243 909 R CB -0.210 30.073 30.300 -0.027 0.000 1.573 909 R HN 0.149 nan 8.270 nan 0.000 0.640 910 L N -1.217 120.033 121.223 0.044 0.000 3.689 910 L HA 0.318 4.658 4.340 0.000 0.000 0.344 910 L C 1.279 178.183 176.870 0.057 0.000 1.221 910 L CA 0.373 55.232 54.840 0.032 0.000 1.171 910 L CB 0.273 42.340 42.059 0.014 0.000 1.540 910 L HN 0.162 nan 8.230 nan 0.000 0.631 911 T N -1.963 112.654 114.554 0.105 0.000 2.759 911 T HA -0.132 4.219 4.350 0.000 0.000 0.269 911 T C 1.832 176.507 174.700 -0.042 0.000 1.042 911 T CA 1.633 63.808 62.100 0.125 0.000 1.140 911 T CB -0.553 68.464 68.868 0.249 0.000 0.864 911 T HN 0.451 nan 8.240 nan 0.000 0.455 912 A N 1.875 124.699 122.820 0.007 0.000 2.067 912 A HA 0.561 4.881 4.320 0.000 0.000 0.219 912 A C 1.653 179.267 177.584 0.049 0.000 1.158 912 A CA 0.681 52.675 52.037 -0.073 0.000 0.661 912 A CB -1.025 18.111 19.000 0.226 0.000 0.801 912 A HN 0.884 nan 8.150 nan 0.000 0.452 913 A N -0.227 122.590 122.820 -0.004 0.000 2.440 913 A HA 0.432 4.752 4.320 0.000 0.000 0.251 913 A C 0.568 178.155 177.584 0.004 0.000 1.089 913 A CA 0.111 52.122 52.037 -0.043 0.000 0.779 913 A CB -0.587 18.382 19.000 -0.051 0.000 1.022 913 A HN 1.009 nan 8.150 nan 0.000 0.492 914 C N 0.779 120.079 119.300 -0.001 0.000 2.370 914 C HA 0.750 5.210 4.460 0.000 0.000 0.354 914 C C -0.042 175.048 174.990 0.167 0.000 1.218 914 C CA -1.172 57.899 59.018 0.089 0.000 2.154 914 C CB -0.139 27.635 27.740 0.055 0.000 2.391 914 C HN 0.764 nan 8.230 nan 0.000 0.540 915 F N 2.951 122.741 119.950 -0.266 0.000 2.390 915 F HA 0.576 5.103 4.527 0.000 0.000 0.361 915 F C -0.051 175.420 175.800 -0.549 0.000 1.124 915 F CA 0.601 58.312 58.000 -0.481 0.000 1.149 915 F CB -0.179 38.064 39.000 -1.261 0.000 1.160 915 F HN 0.886 nan 8.300 nan 0.000 0.501 916 D N 3.179 122.961 120.400 -1.029 0.000 3.145 916 D HA 0.276 4.916 4.640 0.000 0.000 0.345 916 D C -1.504 173.902 176.300 -1.490 0.000 1.391 916 D CA -0.713 52.531 54.000 -1.261 0.000 0.930 916 D CB 1.207 41.269 40.800 -1.229 0.000 1.451 916 D HN 0.488 nan 8.370 nan 0.000 0.555 917 R N 0.544 120.226 120.500 -1.364 0.000 2.198 917 R HA 0.490 4.830 4.340 0.000 0.000 0.339 917 R C -1.164 174.358 176.300 -1.298 0.000 1.020 917 R CA -0.427 55.007 56.100 -1.110 0.000 0.864 917 R CB 0.260 30.164 30.300 -0.660 0.000 1.105 917 R HN 0.294 nan 8.270 nan 0.000 0.463 918 W N 2.945 123.671 121.300 -0.956 0.000 2.469 918 W HA 0.324 4.984 4.660 0.000 0.000 0.320 918 W C -0.452 175.611 176.519 -0.761 0.000 1.086 918 W CA -0.708 55.949 57.345 -1.147 0.000 1.211 918 W CB 1.610 29.704 29.460 -2.277 0.000 1.298 918 W HN 0.493 nan 8.180 nan 0.000 0.525 919 D N 3.713 124.042 120.400 -0.118 0.000 2.476 919 D HA 0.556 5.196 4.640 0.000 0.000 0.251 919 D C -1.110 175.290 176.300 0.167 0.000 1.291 919 D CA -0.159 53.882 54.000 0.069 0.000 0.939 919 D CB 0.572 41.378 40.800 0.009 0.000 1.221 919 D HN 0.291 nan 8.370 nan 0.000 0.567 920 L N 2.262 123.661 121.223 0.293 0.000 2.397 920 L HA 0.714 5.054 4.340 0.000 0.000 0.251 920 L C -2.437 174.549 176.870 0.192 0.000 1.064 920 L CA -2.580 52.393 54.840 0.221 0.000 0.859 920 L CB 1.655 43.849 42.059 0.225 0.000 1.468 920 L HN 0.125 nan 8.230 nan 0.000 0.411 921 P HA 0.066 nan 4.420 nan 0.000 0.271 921 P C 0.510 177.873 177.300 0.103 0.000 1.216 921 P CA -0.229 62.938 63.100 0.111 0.000 0.771 921 P CB 0.745 32.492 31.700 0.079 0.000 0.864 922 L N 4.517 125.805 121.223 0.109 0.000 2.089 922 L HA -0.285 4.055 4.340 0.000 0.000 0.213 922 L C 2.226 179.129 176.870 0.056 0.000 1.079 922 L CA 2.668 57.551 54.840 0.070 0.000 0.758 922 L CB -1.412 40.705 42.059 0.095 0.000 0.891 922 L HN 0.450 nan 8.230 nan 0.000 0.433 923 S N -0.657 115.085 115.700 0.071 0.000 2.359 923 S HA -0.243 4.228 4.470 0.000 0.000 0.223 923 S C 1.513 176.168 174.600 0.092 0.000 1.039 923 S CA 1.504 59.758 58.200 0.088 0.000 1.042 923 S CB -0.991 62.254 63.200 0.075 0.000 0.915 923 S HN 0.601 nan 8.310 nan 0.000 0.439 924 D N 1.302 121.733 120.400 0.051 0.000 2.379 924 D HA 0.070 4.710 4.640 0.000 0.000 0.243 924 D C 0.920 177.202 176.300 -0.029 0.000 1.088 924 D CA 0.500 54.506 54.000 0.009 0.000 0.925 924 D CB -0.189 40.619 40.800 0.014 0.000 0.888 924 D HN 0.498 nan 8.370 nan 0.000 0.529 925 M N -0.515 119.081 119.600 -0.008 0.000 2.405 925 M HA 0.125 4.605 4.480 0.000 0.000 0.292 925 M C -0.280 176.017 176.300 -0.005 0.000 1.111 925 M CA -0.321 54.926 55.300 -0.089 0.000 0.979 925 M CB 0.012 32.528 32.600 -0.140 0.000 1.426 925 M HN -0.056 nan 8.290 nan 0.000 0.509 926 Y N 0.404 120.646 120.300 -0.097 0.000 2.446 926 Y HA 0.559 5.109 4.550 0.000 0.000 0.345 926 Y C -0.944 174.877 175.900 -0.132 0.000 0.984 926 Y CA -0.821 57.238 58.100 -0.067 0.000 1.058 926 Y CB 1.576 40.057 38.460 0.035 0.000 1.220 926 Y HN -0.084 nan 8.280 nan 0.000 0.455 927 T N 8.303 122.277 114.554 -0.968 0.000 2.864 927 T HA 0.253 4.603 4.350 0.000 0.000 0.310 927 T C -2.527 171.399 174.700 -1.290 0.000 1.040 927 T CA -1.449 60.031 62.100 -1.033 0.000 0.977 927 T CB 1.127 69.521 68.868 -0.790 0.000 0.976 927 T HN 0.466 nan 8.240 nan 0.000 0.459 928 P HA -0.043 nan 4.420 nan 0.000 0.310 928 P C -0.383 176.755 177.300 -0.270 0.000 1.512 928 P CA -0.190 62.487 63.100 -0.705 0.000 0.753 928 P CB -0.873 30.511 31.700 -0.526 0.000 1.608 929 Y N -0.324 119.887 120.300 -0.149 0.000 2.865 929 Y HA -0.112 4.438 4.550 0.000 0.000 0.338 929 Y C 2.276 178.212 175.900 0.061 0.000 1.269 929 Y CA -0.009 58.076 58.100 -0.025 0.000 1.585 929 Y CB -0.382 38.012 38.460 -0.111 0.000 1.224 929 Y HN -0.173 nan 8.280 nan 0.000 0.554 930 V N 3.831 123.936 119.914 0.319 0.000 2.277 930 V HA -0.331 3.789 4.120 0.000 0.000 0.253 930 V C 0.691 176.962 176.094 0.296 0.000 1.067 930 V CA 1.825 64.301 62.300 0.292 0.000 1.047 930 V CB -0.677 31.342 31.823 0.326 0.000 0.649 930 V HN 0.620 nan 8.190 nan 0.000 0.447 931 F N 3.213 123.214 119.950 0.085 0.000 2.388 931 F HA 0.599 5.126 4.527 0.000 0.000 0.358 931 F C -2.542 173.259 175.800 0.001 0.000 1.122 931 F CA -3.848 54.164 58.000 0.019 0.000 1.056 931 F CB 0.947 39.873 39.000 -0.123 0.000 1.155 931 F HN -0.054 nan 8.300 nan 0.000 0.461 932 P HA 0.329 nan 4.420 nan 0.000 0.271 932 P C -1.004 176.135 177.300 -0.268 0.000 1.218 932 P CA 0.030 62.980 63.100 -0.252 0.000 0.780 932 P CB 1.406 32.943 31.700 -0.273 0.000 0.901 933 S N -0.411 115.251 115.700 -0.064 0.000 2.671 933 S HA 0.359 4.830 4.470 0.000 0.000 0.270 933 S C -0.853 173.764 174.600 0.029 0.000 1.166 933 S CA -0.893 57.291 58.200 -0.026 0.000 0.868 933 S CB 0.198 63.408 63.200 0.016 0.000 1.190 933 S HN 0.338 nan 8.310 nan 0.000 0.494 934 E N 1.436 121.662 120.200 0.042 0.000 2.502 934 E HA 0.404 4.754 4.350 0.000 0.000 0.261 934 E C -0.191 176.487 176.600 0.130 0.000 0.974 934 E CA 0.838 57.291 56.400 0.088 0.000 0.936 934 E CB -0.200 29.582 29.700 0.137 0.000 0.926 934 E HN 0.819 nan 8.360 nan 0.000 0.459 935 N N 1.667 120.469 118.700 0.170 0.000 3.046 935 N HA 0.500 5.240 4.740 0.000 0.000 0.243 935 N C 0.355 175.930 175.510 0.108 0.000 1.452 935 N CA -0.317 52.869 53.050 0.227 0.000 0.882 935 N CB 0.934 39.541 38.487 0.200 0.000 1.425 935 N HN 0.701 nan 8.380 nan 0.000 0.517 936 G N -1.081 107.741 108.800 0.038 0.000 2.234 936 G HA2 -0.282 3.679 3.960 0.000 0.000 0.260 936 G HA3 -0.282 3.679 3.960 0.000 0.000 0.260 936 G C -0.028 174.608 174.900 -0.440 0.000 0.987 936 G CA 0.387 45.377 45.100 -0.183 0.000 0.625 936 G HN 0.809 nan 8.290 nan 0.000 0.532 937 L N 1.696 122.598 121.223 -0.536 0.000 2.573 937 L HA 0.345 4.685 4.340 0.000 0.000 0.290 937 L C 0.952 177.278 176.870 -0.908 0.000 1.247 937 L CA 0.712 55.029 54.840 -0.872 0.000 0.876 937 L CB 0.338 41.608 42.059 -1.314 0.000 1.123 937 L HN 0.393 nan 8.230 nan 0.000 0.505 938 R N 4.025 123.927 120.500 -0.995 0.000 2.740 938 R HA 0.596 4.936 4.340 0.000 0.000 0.282 938 R C -1.009 174.960 176.300 -0.551 0.000 0.969 938 R CA -0.770 54.870 56.100 -0.766 0.000 0.918 938 R CB 1.165 30.985 30.300 -0.801 0.000 1.175 938 R HN 0.609 nan 8.270 nan 0.000 0.464 939 C N -0.837 118.282 119.300 -0.301 0.000 2.710 939 C HA 0.681 5.141 4.460 0.000 0.000 0.367 939 C C 1.262 176.218 174.990 -0.055 0.000 1.315 939 C CA -0.151 58.755 59.018 -0.187 0.000 1.764 939 C CB 1.033 28.683 27.740 -0.150 0.000 2.182 939 C HN 1.066 nan 8.230 nan 0.000 0.491 940 G N 1.789 110.557 108.800 -0.053 0.000 2.390 940 G HA2 -0.175 3.785 3.960 0.000 0.000 0.299 940 G HA3 -0.175 3.785 3.960 0.000 0.000 0.299 940 G C -0.085 174.850 174.900 0.059 0.000 1.002 940 G CA 0.637 45.746 45.100 0.014 0.000 0.979 940 G HN 0.852 nan 8.290 nan 0.000 0.513 941 T N -0.485 113.993 114.554 -0.128 0.000 2.856 941 T HA 0.524 4.874 4.350 0.000 0.000 0.292 941 T C 1.431 175.888 174.700 -0.404 0.000 0.980 941 T CA -0.390 61.611 62.100 -0.166 0.000 1.091 941 T CB 1.678 70.419 68.868 -0.211 0.000 0.936 941 T HN 0.385 nan 8.240 nan 0.000 0.503 942 R N 0.888 121.332 120.500 -0.093 0.000 2.373 942 R HA 0.253 4.593 4.340 0.000 0.000 0.221 942 R C 0.377 176.742 176.300 0.108 0.000 0.893 942 R CA 0.042 56.148 56.100 0.010 0.000 1.049 942 R CB 0.970 31.372 30.300 0.170 0.000 1.119 942 R HN 0.661 nan 8.270 nan 0.000 0.535 943 E N 1.166 121.428 120.200 0.105 0.000 2.311 943 E HA 0.249 4.599 4.350 0.000 0.000 0.281 943 E C -2.038 174.691 176.600 0.213 0.000 0.905 943 E CA -0.618 55.899 56.400 0.195 0.000 0.778 943 E CB 1.671 31.451 29.700 0.134 0.000 1.240 943 E HN -0.114 nan 8.360 nan 0.000 0.410 944 L N 4.074 125.469 121.223 0.287 0.000 2.410 944 L HA 0.626 4.966 4.340 0.000 0.000 0.270 944 L C -1.937 175.149 176.870 0.359 0.000 0.983 944 L CA -0.436 54.515 54.840 0.185 0.000 0.822 944 L CB 1.745 43.696 42.059 -0.180 0.000 1.285 944 L HN 0.469 nan 8.230 nan 0.000 0.409 945 N N 4.213 123.098 118.700 0.308 0.000 2.346 945 N HA 0.507 5.247 4.740 0.000 0.000 0.289 945 N C -1.954 173.819 175.510 0.438 0.000 1.027 945 N CA -0.206 53.050 53.050 0.342 0.000 0.864 945 N CB 1.711 40.332 38.487 0.222 0.000 1.370 945 N HN 0.519 nan 8.380 nan 0.000 0.481 946 Y N 1.439 121.926 120.300 0.311 0.000 2.298 946 Y HA 0.486 5.036 4.550 0.000 0.000 0.322 946 Y C 0.592 176.640 175.900 0.246 0.000 1.138 946 Y CA -0.043 58.219 58.100 0.269 0.000 1.127 946 Y CB 0.509 39.164 38.460 0.324 0.000 1.178 946 Y HN 0.809 nan 8.280 nan 0.000 0.428 947 G N 6.572 115.329 108.800 -0.071 0.000 2.547 947 G HA2 -0.282 3.678 3.960 0.000 0.000 0.271 947 G HA3 -0.282 3.678 3.960 0.000 0.000 0.271 947 G C -1.779 173.072 174.900 -0.082 0.000 1.209 947 G CA -0.043 44.960 45.100 -0.161 0.000 0.959 947 G HN 0.475 nan 8.290 nan 0.000 0.563 948 P HA 0.081 nan 4.420 nan 0.000 0.223 948 P C 0.571 177.705 177.300 -0.276 0.000 1.151 948 P CA 1.390 64.333 63.100 -0.260 0.000 0.787 948 P CB -0.118 31.324 31.700 -0.430 0.000 0.788 949 H N -0.604 118.427 119.070 -0.066 0.000 2.482 949 H HA 0.495 5.051 4.556 0.000 0.000 0.344 949 H C 0.424 175.582 175.328 -0.284 0.000 1.151 949 H CA -0.446 55.479 56.048 -0.205 0.000 1.300 949 H CB 0.808 30.285 29.762 -0.476 0.000 1.494 949 H HN -0.056 nan 8.280 nan 0.000 0.542 950 Q N 3.081 122.730 119.800 -0.250 0.000 2.269 950 Q HA 0.201 4.541 4.340 0.000 0.000 0.263 950 Q C -1.623 174.285 176.000 -0.152 0.000 0.983 950 Q CA -0.705 55.046 55.803 -0.086 0.000 0.777 950 Q CB 1.379 30.149 28.738 0.053 0.000 1.273 950 Q HN 0.645 nan 8.270 nan 0.000 0.440 951 W N 3.217 124.479 121.300 -0.064 0.000 2.436 951 W HA 0.657 5.317 4.660 0.000 0.000 0.347 951 W C 0.127 176.708 176.519 0.103 0.000 1.136 951 W CA -1.079 56.202 57.345 -0.106 0.000 1.286 951 W CB 1.476 30.696 29.460 -0.400 0.000 1.253 951 W HN 0.496 nan 8.180 nan 0.000 0.617 952 R N -0.104 120.633 120.500 0.395 0.000 2.668 952 R HA 0.622 4.962 4.340 0.000 0.000 0.272 952 R C -0.032 176.525 176.300 0.429 0.000 1.019 952 R CA -0.440 55.893 56.100 0.389 0.000 0.894 952 R CB 2.176 32.624 30.300 0.246 0.000 1.228 952 R HN 0.808 nan 8.270 nan 0.000 0.460 953 G N 0.896 109.963 108.800 0.445 0.000 2.451 953 G HA2 -0.007 3.953 3.960 0.000 0.000 0.083 953 G HA3 -0.007 3.953 3.960 0.000 0.000 0.083 953 G C -1.734 173.337 174.900 0.285 0.000 1.107 953 G CA -0.342 44.997 45.100 0.399 0.000 1.117 953 G HN 0.477 nan 8.290 nan 0.000 0.454 954 D N 0.200 120.793 120.400 0.322 0.000 2.351 954 D HA 0.580 5.220 4.640 0.000 0.000 0.235 954 D C -0.918 175.423 176.300 0.068 0.000 1.331 954 D CA -0.184 53.849 54.000 0.054 0.000 0.959 954 D CB 0.592 41.447 40.800 0.092 0.000 1.432 954 D HN 0.566 nan 8.370 nan 0.000 0.544 955 F N -0.132 119.810 119.950 -0.014 0.000 3.016 955 F HA 0.638 5.165 4.527 0.000 0.000 0.324 955 F C -1.288 174.464 175.800 -0.079 0.000 1.196 955 F CA -1.047 56.882 58.000 -0.118 0.000 0.929 955 F CB 0.640 39.566 39.000 -0.123 0.000 1.440 955 F HN -0.148 nan 8.300 nan 0.000 0.505 956 Q N 1.566 121.435 119.800 0.114 0.000 2.375 956 Q HA 0.644 4.984 4.340 0.000 0.000 0.271 956 Q C -1.486 174.609 176.000 0.158 0.000 1.074 956 Q CA -0.473 55.334 55.803 0.006 0.000 0.808 956 Q CB 2.818 31.439 28.738 -0.195 0.000 1.327 956 Q HN 0.880 nan 8.270 nan 0.000 0.441 957 F N -0.720 119.134 119.950 -0.161 0.000 2.692 957 F HA 0.816 5.343 4.527 0.000 0.000 0.320 957 F C -1.577 174.034 175.800 -0.315 0.000 1.123 957 F CA -1.094 56.778 58.000 -0.214 0.000 0.961 957 F CB 1.637 40.522 39.000 -0.192 0.000 1.383 957 F HN 0.632 nan 8.300 nan 0.000 0.483 958 N N 0.743 119.308 118.700 -0.225 0.000 2.264 958 N HA 0.608 5.348 4.740 0.000 0.000 0.288 958 N C -2.277 173.194 175.510 -0.064 0.000 1.094 958 N CA -0.660 52.200 53.050 -0.318 0.000 0.817 958 N CB 2.396 40.709 38.487 -0.290 0.000 1.604 958 N HN 1.090 nan 8.380 nan 0.000 0.473 959 I N 1.488 122.004 120.570 -0.091 0.000 2.500 959 I HA 0.653 4.823 4.170 0.000 0.000 0.286 959 I C -1.035 175.022 176.117 -0.100 0.000 1.063 959 I CA 0.029 61.262 61.300 -0.112 0.000 1.062 959 I CB 1.032 38.902 38.000 -0.218 0.000 1.223 959 I HN 0.969 nan 8.210 nan 0.000 0.435 960 S N 6.484 122.154 115.700 -0.050 0.000 2.819 960 S HA 0.600 5.070 4.470 0.000 0.000 0.299 960 S C 0.039 174.572 174.600 -0.112 0.000 1.192 960 S CA -0.916 57.254 58.200 -0.050 0.000 0.847 960 S CB 1.844 65.085 63.200 0.067 0.000 1.224 960 S HN 0.576 nan 8.310 nan 0.000 0.537 961 R N -0.147 120.121 120.500 -0.386 0.000 2.507 961 R HA 0.311 4.651 4.340 0.000 0.000 0.298 961 R C -1.059 174.858 176.300 -0.638 0.000 0.999 961 R CA 0.138 55.938 56.100 -0.499 0.000 1.082 961 R CB -0.580 29.315 30.300 -0.675 0.000 1.246 961 R HN 0.631 nan 8.270 nan 0.000 0.553 962 Y N -0.187 120.078 120.300 -0.058 0.000 2.485 962 Y HA 0.324 4.874 4.550 0.000 0.000 0.345 962 Y C 0.752 176.424 175.900 -0.381 0.000 0.998 962 Y CA -1.276 56.706 58.100 -0.198 0.000 1.059 962 Y CB 1.350 39.642 38.460 -0.279 0.000 1.234 962 Y HN -0.132 nan 8.280 nan 0.000 0.461 963 S N 0.953 116.377 115.700 -0.461 0.000 2.616 963 S HA 0.155 4.625 4.470 0.000 0.000 0.277 963 S C 0.597 174.924 174.600 -0.454 0.000 1.234 963 S CA -0.759 56.899 58.200 -0.903 0.000 1.028 963 S CB 1.357 63.873 63.200 -1.140 0.000 0.988 963 S HN 0.756 nan 8.310 nan 0.000 0.522 964 Q N 0.691 120.236 119.800 -0.426 0.000 2.291 964 Q HA -0.179 4.161 4.340 0.000 0.000 0.206 964 Q C 1.983 177.863 176.000 -0.199 0.000 0.976 964 Q CA 1.367 57.035 55.803 -0.226 0.000 0.875 964 Q CB -0.246 28.394 28.738 -0.163 0.000 0.927 964 Q HN 0.919 nan 8.270 nan 0.000 0.450 965 Q N 0.825 120.467 119.800 -0.263 0.000 2.083 965 Q HA -0.193 4.147 4.340 0.000 0.000 0.198 965 Q C 2.080 177.978 176.000 -0.170 0.000 0.969 965 Q CA 1.180 56.875 55.803 -0.180 0.000 0.838 965 Q CB 0.084 28.735 28.738 -0.145 0.000 0.900 965 Q HN 0.414 nan 8.270 nan 0.000 0.436 966 Q N 0.349 120.026 119.800 -0.205 0.000 2.030 966 Q HA -0.186 4.154 4.340 0.000 0.000 0.204 966 Q C 2.278 178.160 176.000 -0.196 0.000 0.986 966 Q CA 1.551 57.243 55.803 -0.185 0.000 0.843 966 Q CB -0.211 28.402 28.738 -0.208 0.000 0.904 966 Q HN 0.471 nan 8.270 nan 0.000 0.420 967 L N 0.554 121.659 121.223 -0.197 0.000 1.997 967 L HA -0.251 4.090 4.340 0.000 0.000 0.216 967 L C 2.737 179.481 176.870 -0.210 0.000 1.074 967 L CA 1.952 56.671 54.840 -0.202 0.000 0.763 967 L CB -0.601 41.371 42.059 -0.145 0.000 0.890 967 L HN 0.560 nan 8.230 nan 0.000 0.434 968 M N -1.492 118.007 119.600 -0.169 0.000 2.682 968 M HA -0.034 4.446 4.480 0.000 0.000 0.235 968 M C 1.115 177.320 176.300 -0.159 0.000 1.114 968 M CA 1.276 56.478 55.300 -0.164 0.000 1.053 968 M CB 0.007 32.530 32.600 -0.128 0.000 1.599 968 M HN 0.199 nan 8.290 nan 0.000 0.520 969 E N 0.405 120.511 120.200 -0.156 0.000 2.364 969 E HA 0.110 4.460 4.350 0.000 0.000 0.203 969 E C -0.196 176.333 176.600 -0.118 0.000 0.888 969 E CA 0.252 56.582 56.400 -0.117 0.000 0.989 969 E CB 0.697 30.343 29.700 -0.089 0.000 0.985 969 E HN 0.421 nan 8.360 nan 0.000 0.499 970 T N 1.428 115.885 114.554 -0.161 0.000 2.737 970 T HA 0.053 4.403 4.350 0.000 0.000 0.296 970 T C 1.113 175.691 174.700 -0.204 0.000 0.922 970 T CA -0.131 61.872 62.100 -0.162 0.000 1.079 970 T CB 1.308 70.054 68.868 -0.203 0.000 0.892 970 T HN 0.047 nan 8.240 nan 0.000 0.514 971 S N 1.930 117.580 115.700 -0.083 0.000 2.528 971 S HA 0.047 4.517 4.470 0.000 0.000 0.219 971 S C 0.301 174.923 174.600 0.038 0.000 0.985 971 S CA 0.130 58.304 58.200 -0.042 0.000 0.914 971 S CB -0.215 63.121 63.200 0.226 0.000 0.776 971 S HN 0.744 nan 8.310 nan 0.000 0.526 972 H N 0.558 119.603 119.070 -0.042 0.000 2.690 972 H HA 0.540 5.096 4.556 0.000 0.000 0.368 972 H C 1.018 176.336 175.328 -0.016 0.000 1.150 972 H CA -0.763 55.332 56.048 0.079 0.000 1.174 972 H CB 1.475 31.314 29.762 0.127 0.000 1.684 972 H HN 0.137 nan 8.280 nan 0.000 0.538 973 R N 1.497 122.111 120.500 0.189 0.000 2.235 973 R HA -0.095 4.245 4.340 0.000 0.000 0.213 973 R C 0.956 177.292 176.300 0.060 0.000 1.059 973 R CA 1.283 57.428 56.100 0.073 0.000 0.997 973 R CB -0.220 30.147 30.300 0.110 0.000 0.884 973 R HN 0.760 nan 8.270 nan 0.000 0.462 974 H N 1.066 120.138 119.070 0.003 0.000 2.529 974 H HA 0.066 4.622 4.556 0.000 0.000 0.277 974 H C 1.223 176.482 175.328 -0.115 0.000 0.999 974 H CA 0.476 56.489 56.048 -0.058 0.000 1.256 974 H CB -0.046 29.668 29.762 -0.081 0.000 1.402 974 H HN 0.269 nan 8.280 nan 0.000 0.566 975 L N 1.252 122.133 121.223 -0.570 0.000 2.685 975 L HA 0.284 4.624 4.340 0.000 0.000 0.233 975 L C 0.318 177.069 176.870 -0.198 0.000 1.173 975 L CA -0.070 54.495 54.840 -0.459 0.000 0.961 975 L CB 0.103 41.850 42.059 -0.521 0.000 1.217 975 L HN 0.079 nan 8.230 nan 0.000 0.478 976 L N 0.767 121.886 121.223 -0.173 0.000 2.360 976 L HA 0.434 4.774 4.340 0.000 0.000 0.271 976 L C -0.175 176.677 176.870 -0.029 0.000 1.057 976 L CA -0.499 54.214 54.840 -0.211 0.000 0.803 976 L CB 1.261 43.067 42.059 -0.421 0.000 1.207 976 L HN 0.244 nan 8.230 nan 0.000 0.445 977 H N 1.345 120.482 119.070 0.112 0.000 2.930 977 H HA 0.537 5.093 4.556 0.000 0.000 0.371 977 H C -0.938 174.488 175.328 0.164 0.000 1.169 977 H CA -1.175 54.956 56.048 0.137 0.000 1.157 977 H CB 1.457 31.237 29.762 0.030 0.000 1.789 977 H HN 0.652 nan 8.280 nan 0.000 0.547 978 A N 2.635 125.530 122.820 0.126 0.000 2.520 978 A HA 0.124 4.444 4.320 0.000 0.000 0.245 978 A C 0.374 177.990 177.584 0.053 0.000 1.072 978 A CA -0.190 51.754 52.037 -0.155 0.000 0.761 978 A CB -0.083 18.816 19.000 -0.168 0.000 1.004 978 A HN 0.768 nan 8.150 nan 0.000 0.499 979 E N 1.027 121.216 120.200 -0.019 0.000 2.322 979 E HA 0.097 4.448 4.350 0.000 0.000 0.257 979 E C 0.713 177.344 176.600 0.052 0.000 1.155 979 E CA -0.566 55.909 56.400 0.125 0.000 0.936 979 E CB 0.678 30.545 29.700 0.277 0.000 1.130 979 E HN 0.841 nan 8.360 nan 0.000 0.465 980 E N 0.393 120.626 120.200 0.054 0.000 2.048 980 E HA -0.232 4.119 4.350 0.000 0.000 0.202 980 E C 1.003 177.570 176.600 -0.055 0.000 1.021 980 E CA 1.793 58.188 56.400 -0.009 0.000 0.825 980 E CB -0.021 29.669 29.700 -0.018 0.000 0.756 980 E HN 0.570 nan 8.360 nan 0.000 0.454 981 G N -1.504 107.227 108.800 -0.114 0.000 3.434 981 G HA2 0.249 4.209 3.960 0.000 0.000 0.197 981 G HA3 0.249 4.209 3.960 0.000 0.000 0.197 981 G C -0.640 174.206 174.900 -0.090 0.000 1.559 981 G CA 0.027 45.056 45.100 -0.118 0.000 0.852 981 G HN 0.151 nan 8.290 nan 0.000 0.682 982 T N 0.491 114.984 114.554 -0.103 0.000 2.906 982 T HA 0.312 4.662 4.350 0.000 0.000 0.302 982 T C -1.499 173.126 174.700 -0.125 0.000 1.002 982 T CA -0.176 61.906 62.100 -0.029 0.000 0.988 982 T CB 1.239 70.212 68.868 0.175 0.000 0.972 982 T HN 0.327 nan 8.240 nan 0.000 0.447 983 W N 3.438 124.682 121.300 -0.094 0.000 2.356 983 W HA 0.533 5.193 4.660 0.000 0.000 0.311 983 W C -0.086 176.351 176.519 -0.137 0.000 1.328 983 W CA -0.637 56.648 57.345 -0.099 0.000 1.251 983 W CB 0.515 29.917 29.460 -0.096 0.000 1.280 983 W HN 0.405 nan 8.180 nan 0.000 0.524 984 L N 5.794 127.053 121.223 0.061 0.000 2.322 984 L HA 0.475 4.815 4.340 0.000 0.000 0.281 984 L C -0.662 176.153 176.870 -0.093 0.000 1.014 984 L CA -0.311 54.463 54.840 -0.109 0.000 0.815 984 L CB 0.774 42.658 42.059 -0.291 0.000 1.247 984 L HN 0.329 nan 8.230 nan 0.000 0.421 985 N N 6.773 125.397 118.700 -0.127 0.000 2.399 985 N HA 0.493 5.233 4.740 0.000 0.000 0.280 985 N C -1.348 174.056 175.510 -0.178 0.000 1.008 985 N CA -0.364 52.607 53.050 -0.132 0.000 0.894 985 N CB 2.285 40.717 38.487 -0.091 0.000 1.273 985 N HN 0.487 nan 8.380 nan 0.000 0.486 986 I N 1.971 122.393 120.570 -0.246 0.000 2.439 986 I HA 0.263 4.433 4.170 0.000 0.000 0.283 986 I C -0.842 175.116 176.117 -0.266 0.000 1.023 986 I CA -0.581 60.546 61.300 -0.288 0.000 1.100 986 I CB 1.770 39.439 38.000 -0.551 0.000 1.238 986 I HN 0.219 nan 8.210 nan 0.000 0.445 987 D N 4.541 124.819 120.400 -0.203 0.000 2.256 987 D HA 0.315 4.955 4.640 0.000 0.000 0.246 987 D C 0.835 176.884 176.300 -0.418 0.000 1.042 987 D CA -0.262 53.543 54.000 -0.325 0.000 0.841 987 D CB 2.810 43.499 40.800 -0.185 0.000 1.223 987 D HN 0.722 nan 8.370 nan 0.000 0.470 988 G N 0.663 108.960 108.800 -0.839 0.000 2.838 988 G HA2 0.150 4.110 3.960 0.000 0.000 0.210 988 G HA3 0.150 4.110 3.960 0.000 0.000 0.210 988 G C -0.036 174.077 174.900 -1.311 0.000 1.153 988 G CA 0.102 44.601 45.100 -1.001 0.000 0.778 988 G HN 0.333 nan 8.290 nan 0.000 0.539 989 F N -0.395 119.371 119.950 -0.307 0.000 2.623 989 F HA 0.406 4.933 4.527 0.000 0.000 0.323 989 F C -0.818 174.870 175.800 -0.187 0.000 1.158 989 F CA -1.261 56.612 58.000 -0.211 0.000 1.030 989 F CB 1.658 40.434 39.000 -0.373 0.000 1.280 989 F HN -0.064 nan 8.300 nan 0.000 0.474 990 H N 4.152 123.201 119.070 -0.034 0.000 2.690 990 H HA 0.585 5.141 4.556 0.000 0.000 0.368 990 H C -0.836 174.498 175.328 0.011 0.000 1.150 990 H CA -0.854 55.158 56.048 -0.059 0.000 1.174 990 H CB 2.306 32.008 29.762 -0.101 0.000 1.684 990 H HN 0.848 nan 8.280 nan 0.000 0.538 991 M N 2.542 122.263 119.600 0.203 0.000 2.241 991 M HA 0.403 4.883 4.480 0.000 0.000 0.335 991 M C 0.110 176.569 176.300 0.265 0.000 1.122 991 M CA -0.090 55.322 55.300 0.187 0.000 1.164 991 M CB 0.718 33.317 32.600 -0.002 0.000 1.459 991 M HN 0.600 nan 8.290 nan 0.000 0.461 992 G N 2.328 111.207 108.800 0.131 0.000 2.554 992 G HA2 0.330 4.290 3.960 0.000 0.000 0.238 992 G HA3 0.330 4.290 3.960 0.000 0.000 0.238 992 G C 0.572 175.423 174.900 -0.081 0.000 1.259 992 G CA -0.452 44.627 45.100 -0.035 0.000 0.843 992 G HN 1.006 nan 8.290 nan 0.000 0.582 993 I N 0.036 120.503 120.570 -0.171 0.000 2.852 993 I HA 0.346 4.516 4.170 0.000 0.000 0.264 993 I C 1.475 177.499 176.117 -0.156 0.000 1.179 993 I CA 0.499 61.667 61.300 -0.219 0.000 1.480 993 I CB -0.618 37.144 38.000 -0.398 0.000 1.111 993 I HN 0.899 nan 8.210 nan 0.000 0.441 994 G N 1.596 110.319 108.800 -0.127 0.000 2.552 994 G HA2 0.017 3.977 3.960 0.000 0.000 0.265 994 G HA3 0.017 3.977 3.960 0.000 0.000 0.265 994 G C 0.656 175.531 174.900 -0.042 0.000 1.234 994 G CA 0.199 45.268 45.100 -0.052 0.000 0.944 994 G HN 1.660 nan 8.290 nan 0.000 0.568 995 G N -2.103 106.681 108.800 -0.026 0.000 2.237 995 G HA2 0.074 4.034 3.960 0.000 0.000 0.153 995 G HA3 0.074 4.034 3.960 0.000 0.000 0.153 995 G C 0.314 175.243 174.900 0.048 0.000 1.039 995 G CA 0.976 46.060 45.100 -0.026 0.000 0.719 995 G HN 1.021 nan 8.290 nan 0.000 0.491 996 D N 0.650 121.080 120.400 0.050 0.000 2.347 996 D HA 0.272 4.912 4.640 0.000 0.000 0.213 996 D C 0.846 177.140 176.300 -0.011 0.000 0.985 996 D CA 1.641 55.740 54.000 0.166 0.000 0.879 996 D CB 0.343 41.245 40.800 0.170 0.000 0.919 996 D HN 0.884 nan 8.370 nan 0.000 0.526 997 D N -3.269 116.938 120.400 -0.323 0.000 2.720 997 D HA 0.155 4.795 4.640 0.000 0.000 0.239 997 D C -1.089 174.668 176.300 -0.906 0.000 1.218 997 D CA -0.708 52.678 54.000 -1.024 0.000 0.748 997 D CB 0.624 40.521 40.800 -1.505 0.000 1.387 997 D HN -0.289 nan 8.370 nan 0.000 0.438 998 S N 0.842 115.855 115.700 -1.144 0.000 2.449 998 S HA 0.338 4.808 4.470 0.000 0.000 0.237 998 S C -0.580 174.088 174.600 0.113 0.000 1.214 998 S CA -0.706 57.323 58.200 -0.284 0.000 1.226 998 S CB -0.837 62.437 63.200 0.122 0.000 0.904 998 S HN 0.642 nan 8.310 nan 0.000 0.490 999 W N 0.089 121.382 121.300 -0.013 0.000 1.526 999 W HA 0.467 5.127 4.660 0.000 0.000 0.218 999 W C 0.008 176.503 176.519 -0.040 0.000 0.797 999 W CA -0.367 56.959 57.345 -0.031 0.000 0.997 999 W CB -0.458 28.916 29.460 -0.143 0.000 0.926 999 W HN 0.278 nan 8.180 nan 0.000 0.483 1000 S N -0.362 115.271 115.700 -0.110 0.000 2.537 1000 S HA 0.548 5.018 4.470 0.000 0.000 0.271 1000 S C -3.112 171.435 174.600 -0.088 0.000 1.148 1000 S CA -1.489 56.671 58.200 -0.066 0.000 0.868 1000 S CB 1.515 64.706 63.200 -0.015 0.000 1.115 1000 S HN -0.171 nan 8.310 nan 0.000 0.461 1001 P HA 0.130 nan 4.420 nan 0.000 0.256 1001 P C 0.304 177.637 177.300 0.054 0.000 1.173 1001 P CA 0.123 63.244 63.100 0.035 0.000 0.768 1001 P CB 0.232 31.897 31.700 -0.059 0.000 0.758 1002 S N 0.855 116.600 115.700 0.075 0.000 2.663 1002 S HA 0.178 4.648 4.470 0.000 0.000 0.243 1002 S C 0.297 174.959 174.600 0.104 0.000 1.009 1002 S CA -0.471 57.761 58.200 0.052 0.000 0.988 1002 S CB -0.154 63.035 63.200 -0.019 0.000 0.896 1002 S HN 0.164 nan 8.310 nan 0.000 0.502 1003 V N 4.170 124.191 119.914 0.179 0.000 2.353 1003 V HA 0.316 4.436 4.120 0.000 0.000 0.264 1003 V C 0.613 176.850 176.094 0.239 0.000 1.049 1003 V CA -0.594 61.814 62.300 0.181 0.000 0.896 1003 V CB 0.264 32.149 31.823 0.102 0.000 1.025 1003 V HN 0.652 nan 8.190 nan 0.000 0.475 1004 S N 4.317 120.172 115.700 0.259 0.000 2.552 1004 S HA 0.278 4.748 4.470 0.000 0.000 0.289 1004 S C 1.587 176.337 174.600 0.250 0.000 1.304 1004 S CA -0.012 58.340 58.200 0.253 0.000 1.063 1004 S CB 1.227 64.575 63.200 0.246 0.000 0.848 1004 S HN 1.066 nan 8.310 nan 0.000 0.499 1005 A N 3.011 125.931 122.820 0.166 0.000 1.906 1005 A HA -0.296 4.024 4.320 0.000 0.000 0.222 1005 A C 1.880 179.498 177.584 0.057 0.000 1.282 1005 A CA 2.345 54.462 52.037 0.134 0.000 0.675 1005 A CB -1.549 17.501 19.000 0.083 0.000 0.838 1005 A HN 0.982 nan 8.150 nan 0.000 0.469 1006 E N -1.197 118.953 120.200 -0.083 0.000 2.492 1006 E HA -0.135 4.215 4.350 0.000 0.000 0.204 1006 E C 0.462 176.780 176.600 -0.470 0.000 1.073 1006 E CA 1.065 57.267 56.400 -0.329 0.000 0.887 1006 E CB -0.408 28.919 29.700 -0.622 0.000 0.813 1006 E HN 0.711 nan 8.360 nan 0.000 0.562 1007 F N 0.271 120.280 119.950 0.098 0.000 2.735 1007 F HA 0.266 4.793 4.527 0.000 0.000 0.308 1007 F C 0.267 176.119 175.800 0.086 0.000 1.112 1007 F CA -0.468 57.587 58.000 0.092 0.000 1.235 1007 F CB 0.351 39.398 39.000 0.079 0.000 1.027 1007 F HN -0.158 nan 8.300 nan 0.000 0.528 1008 Q N 0.617 120.562 119.800 0.241 0.000 2.214 1008 Q HA 0.522 4.862 4.340 0.000 0.000 0.251 1008 Q C -0.251 175.838 176.000 0.150 0.000 0.936 1008 Q CA -0.699 55.239 55.803 0.225 0.000 0.894 1008 Q CB 2.104 31.087 28.738 0.408 0.000 1.252 1008 Q HN 0.190 nan 8.270 nan 0.000 0.448 1009 L N 2.064 123.347 121.223 0.099 0.000 2.466 1009 L HA 0.142 4.482 4.340 0.000 0.000 0.248 1009 L C 0.615 177.445 176.870 -0.066 0.000 1.240 1009 L CA -0.101 54.765 54.840 0.042 0.000 1.180 1009 L CB -0.183 41.793 42.059 -0.139 0.000 1.413 1009 L HN 0.688 nan 8.230 nan 0.000 0.406 1010 S N -1.247 114.351 115.700 -0.171 0.000 2.557 1010 S HA 0.140 4.610 4.470 0.000 0.000 0.223 1010 S C 1.783 176.282 174.600 -0.168 0.000 0.969 1010 S CA 0.187 58.118 58.200 -0.449 0.000 0.927 1010 S CB 0.625 63.575 63.200 -0.417 0.000 0.806 1010 S HN 0.501 nan 8.310 nan 0.000 0.489 1011 A N 1.746 124.497 122.820 -0.116 0.000 1.978 1011 A HA 0.354 4.674 4.320 0.000 0.000 0.220 1011 A C 2.156 179.549 177.584 -0.319 0.000 1.170 1011 A CA 1.667 53.508 52.037 -0.326 0.000 0.636 1011 A CB -1.332 17.197 19.000 -0.786 0.000 0.810 1011 A HN 1.554 nan 8.150 nan 0.000 0.448 1012 G N -2.019 106.643 108.800 -0.230 0.000 2.358 1012 G HA2 -0.238 3.722 3.960 0.000 0.000 0.224 1012 G HA3 -0.238 3.722 3.960 0.000 0.000 0.224 1012 G C 0.380 175.201 174.900 -0.132 0.000 1.073 1012 G CA 0.251 45.283 45.100 -0.115 0.000 0.635 1012 G HN 0.714 nan 8.290 nan 0.000 0.509 1013 R N -0.599 119.694 120.500 -0.346 0.000 2.533 1013 R HA 0.598 4.938 4.340 0.000 0.000 0.288 1013 R C -1.783 174.230 176.300 -0.478 0.000 1.039 1013 R CA -0.589 55.380 56.100 -0.219 0.000 0.909 1013 R CB 1.628 31.854 30.300 -0.122 0.000 1.195 1013 R HN 0.198 nan 8.270 nan 0.000 0.438 1014 Y N 0.420 120.689 120.300 -0.052 0.000 2.462 1014 Y HA 0.345 4.895 4.550 0.000 0.000 0.346 1014 Y C -0.238 175.785 175.900 0.204 0.000 0.976 1014 Y CA -0.791 57.240 58.100 -0.116 0.000 1.044 1014 Y CB 2.106 40.353 38.460 -0.354 0.000 1.230 1014 Y HN 0.567 nan 8.280 nan 0.000 0.455 1015 H N 2.993 122.304 119.070 0.402 0.000 2.589 1015 H HA 0.567 5.123 4.556 0.000 0.000 0.351 1015 H C -1.746 173.938 175.328 0.593 0.000 1.074 1015 H CA -0.852 55.433 56.048 0.394 0.000 1.203 1015 H CB 0.941 30.837 29.762 0.224 0.000 1.558 1015 H HN 0.544 nan 8.280 nan 0.000 0.522 1016 Y N 1.507 121.715 120.300 -0.152 0.000 2.562 1016 Y HA 0.545 5.095 4.550 0.000 0.000 0.345 1016 Y C -1.422 174.346 175.900 -0.220 0.000 1.045 1016 Y CA -1.224 56.842 58.100 -0.056 0.000 1.028 1016 Y CB 1.309 39.791 38.460 0.037 0.000 1.297 1016 Y HN 0.612 nan 8.280 nan 0.000 0.463 1017 Q N 2.412 122.213 119.800 0.001 0.000 2.345 1017 Q HA 0.767 5.107 4.340 0.000 0.000 0.268 1017 Q C -1.583 174.460 176.000 0.072 0.000 1.054 1017 Q CA -0.879 54.905 55.803 -0.032 0.000 0.835 1017 Q CB 2.836 31.627 28.738 0.088 0.000 1.339 1017 Q HN 0.796 nan 8.270 nan 0.000 0.447 1018 L N 1.457 122.695 121.223 0.025 0.000 2.424 1018 L HA 0.692 5.032 4.340 0.000 0.000 0.258 1018 L C -1.441 175.496 176.870 0.113 0.000 0.995 1018 L CA -1.044 53.841 54.840 0.075 0.000 0.821 1018 L CB 2.556 44.631 42.059 0.027 0.000 1.383 1018 L HN 0.385 nan 8.230 nan 0.000 0.410 1019 V N 1.572 121.582 119.914 0.161 0.000 2.462 1019 V HA 0.280 4.400 4.120 0.000 0.000 0.288 1019 V C -1.052 175.172 176.094 0.216 0.000 1.020 1019 V CA -0.504 61.901 62.300 0.177 0.000 0.857 1019 V CB 1.982 33.896 31.823 0.152 0.000 1.013 1019 V HN 0.576 nan 8.190 nan 0.000 0.431 1020 W N 6.799 128.116 121.300 0.029 0.000 2.351 1020 W HA 0.699 5.359 4.660 0.000 0.000 0.311 1020 W C -0.124 176.364 176.519 -0.052 0.000 1.168 1020 W CA -1.027 56.260 57.345 -0.098 0.000 1.200 1020 W CB 1.381 30.813 29.460 -0.047 0.000 1.221 1020 W HN 0.801 nan 8.180 nan 0.000 0.519 1021 C N 5.414 124.988 119.300 0.458 0.000 3.170 1021 C HA 0.772 5.232 4.460 0.000 0.000 0.319 1021 C C -1.104 173.991 174.990 0.175 0.000 1.260 1021 C CA -0.687 58.478 59.018 0.245 0.000 1.374 1021 C CB 1.296 29.127 27.740 0.152 0.000 1.739 1021 C HN 0.631 nan 8.230 nan 0.000 0.479 1022 Q N 1.480 121.327 119.800 0.079 0.000 2.359 1022 Q HA 0.763 5.103 4.340 0.000 0.000 0.275 1022 Q C -0.652 175.328 176.000 -0.032 0.000 1.082 1022 Q CA -0.447 55.335 55.803 -0.034 0.000 0.849 1022 Q CB 1.502 30.147 28.738 -0.156 0.000 1.377 1022 Q HN 0.780 nan 8.270 nan 0.000 0.452 1023 K N 0.000 120.356 120.400 -0.073 0.000 2.780 1023 K HA 0.000 4.320 4.320 0.000 0.000 0.191 1023 K CA 0.000 56.258 56.287 -0.049 0.000 0.838 1023 K CB 0.000 32.475 32.500 -0.041 0.000 1.064 1023 K HN 0.000 nan 8.250 nan 0.000 0.543