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 1dp0_1_B DATA FIRST_RESID 13 DATA SEQUENCE RRDWENPGVT QLNRLAAHPP FASWRNSEEA RTDRPSQQLR SLNGEWRFAW DATA SEQUENCE FPAPEAVPES WLECDLPEAD TVVVPSNWQM HGYDAPIYTN VTYPITVNPP DATA SEQUENCE FVPTENPTGC YSLTFNVDES WLQEGQTRII FDGVNSAFHL WCNGRWVGYG DATA SEQUENCE QDSRLPSEFD LSAFLRAGEN RLAVMVLRWS DGSYLEDQDM WRMSGIFRDV DATA SEQUENCE SLLHKPTTQI SDFHVATRFN DDFSRAVLEA EVQMCGELRD YLRVTVSLWQ DATA SEQUENCE GETQVASGTA PFGGEIIDER GGYADRVTLR LNVENPKLWS AEIPNLYRAV DATA SEQUENCE VELHTADGTL IEAEACDVGF REVRIENGLL LLNGKPLLIR GVNRHEHHPL DATA SEQUENCE HGQVMDEQTM VQDILLMKQN NFNAVRCSHY PNHPLWYTLC DRYGLYVVDE DATA SEQUENCE ANIETHGMVP MNRLTDDPRW LPAMSERVTR MVQRDRNHPS VIIWSLGNES DATA SEQUENCE GHGANHDALY RWIKSVDPSR PVQYEGGGAD TTATDIICPM YARVDEDQPF DATA SEQUENCE PAVPKWSIKK WLSLPGETRP LILCEYAHAM GNSLGGFAKY WQAFRQYPRL DATA SEQUENCE QGGFVWDWVD QSLIKYDENG NPWSAYGGDF GDTPNDRQFC MNGLVFADRT DATA SEQUENCE PHPALTEAKH QQQFFQFRLS GQTIEVTSEY LFRHSDNELL HWMVALDGKP DATA SEQUENCE LASGEVPLDV APQGKQLIEL PELPQPESAG QLWLTVRVVQ PNATAWSEAG DATA SEQUENCE HISAWQQWRL AENLSVTLPA ASHAIPHLTT SEMDFCIELG NKRWQFNRQS DATA SEQUENCE GFLSQMWIGD KKQLLTPLRD QFTRAPLDND IGVSEATRID PNAWVERWKA DATA SEQUENCE AGHYQAEAAL LQCTADTLAD AVLITTAHAW QHQGKTLFIS RKTYRIDGSG DATA SEQUENCE QMAITVDVEV ASDTPHPARI GLNCQLAQVA ERVNWLGLGP QENYPDRLTA DATA SEQUENCE ACFDRWDLPL SDMYTPYVFP SENGLRCGTR ELNYGPHQWR GDFQFNISRY DATA SEQUENCE SQQQLMETSH RHLLHAEEGT WLNIDGFHMG IGGDDSWSPS VSAEFQLSAG DATA SEQUENCE RYHYQLVWCQ K VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 13 R HA 0.000 nan 4.340 nan 0.000 0.208 13 R C 0.000 176.100 176.300 -0.333 0.000 0.893 13 R CA 0.000 55.975 56.100 -0.209 0.000 0.921 13 R CB 0.000 30.180 30.300 -0.199 0.000 0.687 14 R N 1.903 122.091 120.500 -0.520 0.000 3.225 14 R HA -0.168 4.186 4.340 0.024 0.000 0.245 14 R C -0.280 175.523 176.300 -0.829 0.000 0.928 14 R CA 0.926 56.325 56.100 -1.168 0.000 0.632 14 R CB -1.396 28.290 30.300 -1.023 0.000 1.038 14 R HN 0.256 nan 8.270 nan 0.000 0.461 15 D N 0.031 120.138 120.400 -0.489 0.000 2.309 15 D HA -0.162 4.492 4.640 0.024 0.000 0.212 15 D C 1.577 177.781 176.300 -0.160 0.000 0.968 15 D CA 1.568 55.339 54.000 -0.381 0.000 0.882 15 D CB -0.096 40.280 40.800 -0.706 0.000 0.918 15 D HN 0.745 nan 8.370 nan 0.000 0.503 16 W N 1.304 122.601 121.300 -0.005 0.000 3.377 16 W HA 0.240 4.914 4.660 0.023 0.000 0.277 16 W C 0.181 176.785 176.519 0.142 0.000 1.311 16 W CA -0.384 57.066 57.345 0.174 0.000 1.703 16 W CB -0.224 29.392 29.460 0.259 0.000 1.095 16 W HN -0.215 nan 8.180 nan 0.000 0.715 17 E N 1.560 121.642 120.200 -0.197 0.000 3.858 17 E HA 0.073 4.437 4.350 0.024 0.000 0.208 17 E C -0.845 175.600 176.600 -0.257 0.000 1.041 17 E CA -0.254 56.044 56.400 -0.170 0.000 1.368 17 E CB -0.150 29.426 29.700 -0.208 0.000 1.176 17 E HN 0.042 nan 8.360 nan 0.000 0.448 18 N N 1.092 119.678 118.700 -0.189 0.000 2.812 18 N HA 0.112 4.867 4.740 0.024 0.000 0.262 18 N C -2.493 172.880 175.510 -0.228 0.000 1.241 18 N CA -1.667 51.238 53.050 -0.243 0.000 0.854 18 N CB 1.404 39.760 38.487 -0.219 0.000 1.506 18 N HN -0.152 nan 8.380 nan 0.000 0.576 19 P HA 0.096 nan 4.420 nan 0.000 0.234 19 P C 1.076 178.143 177.300 -0.388 0.000 1.167 19 P CA 0.606 63.388 63.100 -0.531 0.000 0.763 19 P CB 0.114 31.024 31.700 -1.316 0.000 0.835 20 G N -0.638 107.977 108.800 -0.307 0.000 2.813 20 G HA2 0.083 4.057 3.960 0.024 0.000 0.209 20 G HA3 0.083 4.057 3.960 0.024 0.000 0.209 20 G C 0.199 175.021 174.900 -0.131 0.000 1.150 20 G CA 0.178 45.148 45.100 -0.217 0.000 0.785 20 G HN 0.201 nan 8.290 nan 0.000 0.535 21 V N 1.637 121.490 119.914 -0.102 0.000 2.357 21 V HA 0.278 4.412 4.120 0.024 0.000 0.281 21 V C 0.777 176.923 176.094 0.087 0.000 1.015 21 V CA 0.033 62.323 62.300 -0.017 0.000 0.827 21 V CB 1.242 33.034 31.823 -0.052 0.000 1.018 21 V HN 0.310 nan 8.190 nan 0.000 0.432 22 T N 0.556 115.159 114.554 0.082 0.000 3.054 22 T HA 0.393 4.757 4.350 0.024 0.000 0.255 22 T C 0.228 174.992 174.700 0.108 0.000 1.035 22 T CA 0.054 62.216 62.100 0.105 0.000 0.941 22 T CB 0.266 69.144 68.868 0.016 0.000 1.026 22 T HN 0.701 nan 8.240 nan 0.000 0.533 23 Q N 0.155 120.064 119.800 0.181 0.000 2.848 23 Q HA 0.668 5.022 4.340 0.024 0.000 0.288 23 Q C -2.296 173.843 176.000 0.232 0.000 0.907 23 Q CA -1.042 54.853 55.803 0.154 0.000 0.792 23 Q CB 0.728 29.469 28.738 0.004 0.000 1.534 23 Q HN 0.216 nan 8.270 nan 0.000 0.419 24 L N 1.512 122.893 121.223 0.263 0.000 2.505 24 L HA 0.601 4.956 4.340 0.024 0.000 0.266 24 L C -0.610 176.385 176.870 0.208 0.000 0.954 24 L CA -0.864 54.132 54.840 0.261 0.000 0.852 24 L CB 2.002 44.328 42.059 0.444 0.000 1.282 24 L HN 0.848 nan 8.230 nan 0.000 0.403 25 N N 0.763 119.557 118.700 0.156 0.000 2.778 25 N HA -0.211 4.543 4.740 0.024 0.000 0.249 25 N C 0.213 175.819 175.510 0.161 0.000 1.069 25 N CA 0.888 54.021 53.050 0.139 0.000 0.831 25 N CB -0.774 37.742 38.487 0.049 0.000 1.142 25 N HN 0.656 nan 8.380 nan 0.000 0.573 26 R N 0.996 121.509 120.500 0.021 0.000 2.490 26 R HA 0.373 4.728 4.340 0.024 0.000 0.280 26 R C 0.503 176.664 176.300 -0.231 0.000 1.077 26 R CA -0.316 55.556 56.100 -0.380 0.000 1.065 26 R CB 0.525 30.595 30.300 -0.383 0.000 1.003 26 R HN 0.122 nan 8.270 nan 0.000 0.470 27 L N 2.976 124.037 121.223 -0.271 0.000 2.466 27 L HA 0.310 4.664 4.340 0.024 0.000 0.257 27 L C 0.665 177.481 176.870 -0.091 0.000 1.189 27 L CA -0.591 54.182 54.840 -0.112 0.000 0.813 27 L CB 0.901 42.919 42.059 -0.068 0.000 1.118 27 L HN 0.790 nan 8.230 nan 0.000 0.471 28 A N 1.382 124.189 122.820 -0.022 0.000 2.507 28 A HA 0.453 4.787 4.320 0.024 0.000 0.235 28 A C 0.288 177.871 177.584 -0.001 0.000 1.070 28 A CA 0.059 52.090 52.037 -0.009 0.000 0.768 28 A CB 0.135 19.156 19.000 0.034 0.000 1.011 28 A HN 0.789 nan 8.150 nan 0.000 0.502 29 A N 1.329 124.101 122.820 -0.080 0.000 2.332 29 A HA 0.685 5.019 4.320 0.024 0.000 0.258 29 A C 0.086 177.564 177.584 -0.178 0.000 1.087 29 A CA 0.446 52.358 52.037 -0.209 0.000 0.802 29 A CB -0.047 18.831 19.000 -0.204 0.000 1.042 29 A HN 1.901 nan 8.150 nan 0.000 0.489 30 H N -2.063 116.851 119.070 -0.260 0.000 2.950 30 H HA 0.640 5.210 4.556 0.024 0.000 0.307 30 H C -3.414 171.624 175.328 -0.483 0.000 1.403 30 H CA -1.804 54.025 56.048 -0.366 0.000 1.145 30 H CB 0.072 29.506 29.762 -0.546 0.000 1.844 30 H HN 0.374 nan 8.280 nan 0.000 0.515 31 P HA 0.224 nan 4.420 nan 0.000 0.274 31 P C -2.594 174.541 177.300 -0.275 0.000 1.256 31 P CA -1.452 61.441 63.100 -0.346 0.000 0.795 31 P CB -0.217 31.202 31.700 -0.468 0.000 1.038 32 P HA 0.027 nan 4.420 nan 0.000 0.261 32 P C -0.796 176.699 177.300 0.326 0.000 1.183 32 P CA 1.190 64.333 63.100 0.072 0.000 0.761 32 P CB -0.159 31.627 31.700 0.143 0.000 0.785 33 F N 1.359 121.415 119.950 0.176 0.000 2.579 33 F HA 0.621 5.162 4.527 0.024 0.000 0.324 33 F C 0.966 176.700 175.800 -0.110 0.000 1.058 33 F CA -1.057 56.987 58.000 0.073 0.000 0.944 33 F CB 2.190 41.186 39.000 -0.008 0.000 1.245 33 F HN 0.200 nan 8.300 nan 0.000 0.477 34 A N 0.231 122.984 122.820 -0.113 0.000 2.664 34 A HA 0.242 4.576 4.320 0.024 0.000 0.222 34 A C 0.592 177.874 177.584 -0.503 0.000 1.320 34 A CA 0.384 52.106 52.037 -0.525 0.000 1.029 34 A CB -0.113 18.050 19.000 -1.395 0.000 1.318 34 A HN 0.744 nan 8.150 nan 0.000 0.589 35 S N 0.600 116.120 115.700 -0.299 0.000 3.477 35 S HA -0.153 4.331 4.470 0.024 0.000 0.371 35 S C 0.072 174.606 174.600 -0.110 0.000 0.965 35 S CA 0.466 58.550 58.200 -0.193 0.000 1.239 35 S CB -1.530 61.560 63.200 -0.183 0.000 0.918 35 S HN 0.469 nan 8.310 nan 0.000 0.498 36 W N 1.488 122.769 121.300 -0.031 0.000 2.137 36 W HA 0.240 4.914 4.660 0.023 0.000 0.344 36 W C 1.354 177.851 176.519 -0.038 0.000 1.286 36 W CA -0.522 56.809 57.345 -0.023 0.000 1.240 36 W CB 0.221 29.669 29.460 -0.021 0.000 1.141 36 W HN 0.319 nan 8.180 nan 0.000 0.579 37 R N 1.898 122.522 120.500 0.207 0.000 2.613 37 R HA 0.102 4.456 4.340 0.024 0.000 0.361 37 R C -0.152 176.199 176.300 0.085 0.000 1.072 37 R CA -0.162 56.001 56.100 0.104 0.000 1.089 37 R CB -0.175 30.156 30.300 0.052 0.000 1.343 37 R HN 0.367 nan 8.270 nan 0.000 0.571 38 N N -0.036 118.724 118.700 0.101 0.000 2.478 38 N HA 0.110 4.864 4.740 0.024 0.000 0.291 38 N C -0.172 175.302 175.510 -0.060 0.000 1.090 38 N CA -0.026 53.034 53.050 0.017 0.000 0.911 38 N CB 1.889 40.386 38.487 0.017 0.000 1.546 38 N HN -0.249 nan 8.380 nan 0.000 0.500 39 S N 2.305 117.950 115.700 -0.091 0.000 2.402 39 S HA -0.144 4.340 4.470 0.024 0.000 0.229 39 S C 1.390 175.820 174.600 -0.283 0.000 1.021 39 S CA 1.048 59.153 58.200 -0.158 0.000 0.974 39 S CB 0.025 63.162 63.200 -0.105 0.000 0.800 39 S HN 0.766 nan 8.310 nan 0.000 0.484 40 E N 1.658 121.704 120.200 -0.258 0.000 2.152 40 E HA -0.118 4.247 4.350 0.024 0.000 0.192 40 E C 1.796 178.167 176.600 -0.383 0.000 0.983 40 E CA 1.000 57.202 56.400 -0.330 0.000 0.818 40 E CB -0.113 29.447 29.700 -0.234 0.000 0.758 40 E HN 0.267 nan 8.360 nan 0.000 0.467 41 E N 0.156 120.142 120.200 -0.357 0.000 2.150 41 E HA -0.115 4.249 4.350 0.024 0.000 0.193 41 E C 1.953 177.946 176.600 -1.012 0.000 0.985 41 E CA 1.034 57.170 56.400 -0.440 0.000 0.814 41 E CB -0.361 29.202 29.700 -0.229 0.000 0.752 41 E HN 0.401 nan 8.360 nan 0.000 0.466 42 A N 1.507 123.575 122.820 -1.254 0.000 1.930 42 A HA -0.172 4.162 4.320 0.024 0.000 0.217 42 A C 2.225 179.220 177.584 -0.981 0.000 1.175 42 A CA 1.484 52.455 52.037 -1.776 0.000 0.627 42 A CB -0.455 18.035 19.000 -0.851 0.000 0.815 42 A HN 0.117 nan 8.150 nan 0.000 0.443 43 R N -0.134 119.971 120.500 -0.659 0.000 2.081 43 R HA -0.134 4.220 4.340 0.024 0.000 0.235 43 R C 1.962 178.013 176.300 -0.416 0.000 1.131 43 R CA 2.074 57.852 56.100 -0.536 0.000 0.960 43 R CB -0.435 29.426 30.300 -0.731 0.000 0.856 43 R HN 0.626 nan 8.270 nan 0.000 0.436 44 T N -2.692 111.623 114.554 -0.399 0.000 3.129 44 T HA 0.038 4.402 4.350 0.024 0.000 0.251 44 T C 0.288 174.897 174.700 -0.151 0.000 1.117 44 T CA 0.525 62.482 62.100 -0.239 0.000 1.034 44 T CB 0.065 68.816 68.868 -0.195 0.000 0.968 44 T HN 0.347 nan 8.240 nan 0.000 0.526 45 D N 0.780 121.049 120.400 -0.219 0.000 2.870 45 D HA -0.155 4.499 4.640 0.024 0.000 0.228 45 D C 0.013 176.436 176.300 0.204 0.000 1.147 45 D CA 0.440 54.466 54.000 0.043 0.000 0.757 45 D CB -1.119 39.751 40.800 0.117 0.000 1.091 45 D HN 0.589 nan 8.370 nan 0.000 0.429 46 R N 0.020 120.607 120.500 0.146 0.000 2.577 46 R HA 0.501 4.855 4.340 0.024 0.000 0.269 46 R C -2.149 174.409 176.300 0.431 0.000 1.084 46 R CA -1.440 54.792 56.100 0.221 0.000 1.163 46 R CB 0.279 30.643 30.300 0.107 0.000 1.100 46 R HN 0.054 nan 8.270 nan 0.000 0.547 47 P HA -0.040 nan 4.420 nan 0.000 0.266 47 P C -0.826 176.623 177.300 0.249 0.000 1.195 47 P CA 0.226 63.462 63.100 0.228 0.000 0.768 47 P CB 0.827 32.613 31.700 0.144 0.000 0.838 48 S N 1.874 117.626 115.700 0.087 0.000 2.475 48 S HA 0.148 4.632 4.470 0.024 0.000 0.298 48 S C 0.930 175.550 174.600 0.034 0.000 1.119 48 S CA -0.546 57.645 58.200 -0.016 0.000 1.085 48 S CB 0.632 63.519 63.200 -0.522 0.000 1.028 48 S HN 0.214 nan 8.310 nan 0.000 0.489 49 Q N 2.487 122.339 119.800 0.086 0.000 2.364 49 Q HA 0.008 4.362 4.340 0.024 0.000 0.207 49 Q C 0.793 176.896 176.000 0.172 0.000 0.970 49 Q CA 1.141 57.023 55.803 0.131 0.000 0.888 49 Q CB -0.138 28.677 28.738 0.127 0.000 0.951 49 Q HN 0.690 nan 8.270 nan 0.000 0.469 50 Q N -0.347 119.474 119.800 0.035 0.000 2.280 50 Q HA 0.165 4.519 4.340 0.024 0.000 0.202 50 Q C -0.494 175.560 176.000 0.089 0.000 0.903 50 Q CA 0.035 55.816 55.803 -0.037 0.000 0.948 50 Q CB 0.449 29.070 28.738 -0.196 0.000 1.058 50 Q HN 0.020 nan 8.270 nan 0.000 0.493 51 L N 0.708 122.004 121.223 0.121 0.000 2.377 51 L HA 0.457 4.811 4.340 0.024 0.000 0.270 51 L C -1.181 175.784 176.870 0.157 0.000 0.991 51 L CA -0.418 54.493 54.840 0.119 0.000 0.851 51 L CB 1.016 43.056 42.059 -0.031 0.000 1.218 51 L HN -0.078 nan 8.230 nan 0.000 0.420 52 R N 2.410 123.034 120.500 0.207 0.000 2.604 52 R HA 0.614 4.969 4.340 0.024 0.000 0.287 52 R C -0.442 175.874 176.300 0.028 0.000 0.970 52 R CA -0.735 55.421 56.100 0.092 0.000 0.946 52 R CB 1.921 32.222 30.300 0.003 0.000 1.127 52 R HN 0.634 nan 8.270 nan 0.000 0.473 53 S N 1.902 117.608 115.700 0.011 0.000 2.525 53 S HA 0.252 4.736 4.470 0.024 0.000 0.278 53 S C 0.623 175.211 174.600 -0.020 0.000 1.234 53 S CA -0.666 57.531 58.200 -0.005 0.000 1.058 53 S CB 0.475 63.685 63.200 0.016 0.000 0.983 53 S HN 0.551 nan 8.310 nan 0.000 0.495 54 L N 3.712 124.918 121.223 -0.029 0.000 2.741 54 L HA 0.289 4.644 4.340 0.024 0.000 0.237 54 L C 0.259 177.252 176.870 0.204 0.000 1.178 54 L CA -0.383 54.456 54.840 -0.002 0.000 0.973 54 L CB -0.412 41.589 42.059 -0.098 0.000 1.255 54 L HN 0.508 nan 8.230 nan 0.000 0.498 55 N N 1.198 119.974 118.700 0.126 0.000 2.453 55 N HA 0.481 5.235 4.740 0.024 0.000 0.253 55 N C 0.665 176.292 175.510 0.196 0.000 1.252 55 N CA 1.019 54.154 53.050 0.143 0.000 0.917 55 N CB 1.265 39.776 38.487 0.040 0.000 1.117 55 N HN 0.296 nan 8.380 nan 0.000 0.442 56 G N 0.363 109.299 108.800 0.227 0.000 2.240 56 G HA2 -0.089 3.885 3.960 0.024 0.000 0.199 56 G HA3 -0.089 3.885 3.960 0.024 0.000 0.199 56 G C -1.518 173.577 174.900 0.325 0.000 1.342 56 G CA -0.784 44.440 45.100 0.207 0.000 1.145 56 G HN 0.471 nan 8.290 nan 0.000 0.477 57 E N 0.135 120.494 120.200 0.266 0.000 2.194 57 E HA 0.455 4.820 4.350 0.024 0.000 0.284 57 E C -0.915 175.912 176.600 0.378 0.000 1.035 57 E CA -0.163 56.411 56.400 0.290 0.000 0.836 57 E CB 1.029 30.824 29.700 0.159 0.000 1.070 57 E HN 0.350 nan 8.360 nan 0.000 0.401 58 W N 1.692 123.082 121.300 0.149 0.000 2.869 58 W HA 0.404 5.078 4.660 0.024 0.000 0.345 58 W C 0.270 176.920 176.519 0.219 0.000 1.191 58 W CA -0.699 56.767 57.345 0.202 0.000 1.104 58 W CB 0.736 30.374 29.460 0.295 0.000 1.471 58 W HN 0.190 nan 8.180 nan 0.000 0.612 59 R N 1.223 122.007 120.500 0.473 0.000 2.540 59 R HA 0.627 4.982 4.340 0.024 0.000 0.287 59 R C -1.500 175.067 176.300 0.445 0.000 0.980 59 R CA -0.916 55.402 56.100 0.363 0.000 0.966 59 R CB 1.416 31.870 30.300 0.257 0.000 1.106 59 R HN 0.473 nan 8.270 nan 0.000 0.480 60 F N 0.079 120.081 119.950 0.086 0.000 2.608 60 F HA 0.629 5.170 4.527 0.024 0.000 0.309 60 F C -1.645 173.999 175.800 -0.260 0.000 1.103 60 F CA -0.606 57.298 58.000 -0.160 0.000 0.954 60 F CB 2.004 40.806 39.000 -0.329 0.000 1.267 60 F HN 0.627 nan 8.300 nan 0.000 0.444 61 A N 4.076 126.117 122.820 -1.298 0.000 2.486 61 A HA 0.589 4.923 4.320 0.024 0.000 0.300 61 A C -2.412 174.157 177.584 -1.691 0.000 1.048 61 A CA -0.547 50.804 52.037 -1.143 0.000 0.696 61 A CB 0.795 19.387 19.000 -0.679 0.000 1.278 61 A HN 0.957 nan 8.150 nan 0.000 0.405 62 W N 2.512 122.895 121.300 -1.528 0.000 2.438 62 W HA 0.743 5.417 4.660 0.024 0.000 0.324 62 W C -1.742 174.067 176.519 -1.183 0.000 1.119 62 W CA -0.332 56.257 57.345 -1.261 0.000 1.221 62 W CB 0.938 29.970 29.460 -0.714 0.000 1.253 62 W HN 0.496 nan 8.180 nan 0.000 0.555 63 F N 5.818 125.095 119.950 -1.123 0.000 2.588 63 F HA 0.383 4.924 4.527 0.024 0.000 0.314 63 F C -1.281 173.654 175.800 -1.441 0.000 1.069 63 F CA -2.185 55.267 58.000 -0.913 0.000 0.931 63 F CB 1.930 40.539 39.000 -0.651 0.000 1.260 63 F HN 0.210 nan 8.300 nan 0.000 0.465 64 P HA 0.153 nan 4.420 nan 0.000 0.236 64 P C -0.484 176.672 177.300 -0.239 0.000 1.177 64 P CA 0.714 63.517 63.100 -0.494 0.000 0.773 64 P CB 0.696 32.384 31.700 -0.019 0.000 0.878 65 A N -0.264 122.426 122.820 -0.216 0.000 2.599 65 A HA 0.493 4.828 4.320 0.024 0.000 0.294 65 A C -2.459 175.017 177.584 -0.179 0.000 1.055 65 A CA -0.934 51.032 52.037 -0.120 0.000 0.683 65 A CB 0.443 19.439 19.000 -0.007 0.000 1.278 65 A HN -0.295 nan 8.150 nan 0.000 0.412 66 P HA -0.118 nan 4.420 nan 0.000 0.220 66 P C 0.694 177.897 177.300 -0.162 0.000 1.148 66 P CA 1.435 64.400 63.100 -0.225 0.000 0.803 66 P CB 0.268 31.817 31.700 -0.252 0.000 0.782 67 E N 0.039 120.203 120.200 -0.060 0.000 2.409 67 E HA -0.031 4.333 4.350 0.024 0.000 0.198 67 E C 1.930 178.452 176.600 -0.129 0.000 1.024 67 E CA 1.020 57.390 56.400 -0.050 0.000 0.861 67 E CB -0.780 28.926 29.700 0.009 0.000 0.788 67 E HN 0.255 nan 8.360 nan 0.000 0.521 68 A N 0.180 122.883 122.820 -0.195 0.000 2.275 68 A HA 0.130 4.464 4.320 0.024 0.000 0.212 68 A C 0.593 177.848 177.584 -0.547 0.000 1.201 68 A CA -0.214 51.686 52.037 -0.227 0.000 0.843 68 A CB 0.363 19.310 19.000 -0.089 0.000 0.873 68 A HN 0.030 nan 8.150 nan 0.000 0.492 69 V N 2.484 121.970 119.914 -0.714 0.000 2.508 69 V HA 0.180 4.314 4.120 0.024 0.000 0.281 69 V C -2.263 173.459 176.094 -0.619 0.000 1.041 69 V CA -1.293 60.341 62.300 -1.110 0.000 1.016 69 V CB 0.605 31.863 31.823 -0.941 0.000 0.984 69 V HN 0.260 nan 8.190 nan 0.000 0.478 70 P HA 0.209 nan 4.420 nan 0.000 0.271 70 P C 0.386 177.607 177.300 -0.133 0.000 1.216 70 P CA -0.286 62.677 63.100 -0.227 0.000 0.771 70 P CB 0.767 32.395 31.700 -0.120 0.000 0.864 71 E N 0.913 121.055 120.200 -0.097 0.000 2.209 71 E HA -0.198 4.166 4.350 0.024 0.000 0.196 71 E C 1.858 178.427 176.600 -0.051 0.000 0.993 71 E CA 1.720 58.074 56.400 -0.078 0.000 0.819 71 E CB -0.664 28.996 29.700 -0.065 0.000 0.745 71 E HN 0.530 nan 8.360 nan 0.000 0.477 72 S N 0.000 115.688 115.700 -0.021 0.000 2.402 72 S HA -0.260 4.225 4.470 0.024 0.000 0.233 72 S C 1.832 176.447 174.600 0.025 0.000 1.030 72 S CA 0.989 59.188 58.200 -0.002 0.000 1.003 72 S CB -0.893 62.316 63.200 0.015 0.000 0.813 72 S HN 0.604 nan 8.310 nan 0.000 0.477 73 W N 2.282 123.486 121.300 -0.161 0.000 2.364 73 W HA -0.015 4.659 4.660 0.023 0.000 0.281 73 W C 1.637 178.041 176.519 -0.190 0.000 1.219 73 W CA 1.134 58.383 57.345 -0.160 0.000 1.220 73 W CB -0.287 29.059 29.460 -0.190 0.000 1.127 73 W HN 0.285 nan 8.180 nan 0.000 0.556 74 L N 0.134 121.159 121.223 -0.331 0.000 2.141 74 L HA -0.150 4.204 4.340 0.024 0.000 0.209 74 L C 2.439 179.083 176.870 -0.376 0.000 1.094 74 L CA 1.222 55.711 54.840 -0.584 0.000 0.763 74 L CB -0.667 41.075 42.059 -0.527 0.000 0.908 74 L HN -0.033 nan 8.230 nan 0.000 0.437 75 E N -0.981 119.083 120.200 -0.227 0.000 2.251 75 E HA 0.038 4.403 4.350 0.024 0.000 0.194 75 E C 0.459 176.984 176.600 -0.125 0.000 0.964 75 E CA 0.583 56.901 56.400 -0.137 0.000 0.868 75 E CB 0.792 30.444 29.700 -0.080 0.000 0.828 75 E HN 0.505 nan 8.360 nan 0.000 0.481 76 C N -0.306 118.923 119.300 -0.118 0.000 3.239 76 C HA 0.480 4.954 4.460 0.024 0.000 0.317 76 C C -0.465 174.506 174.990 -0.032 0.000 1.310 76 C CA -1.387 57.584 59.018 -0.077 0.000 1.371 76 C CB 1.073 28.790 27.740 -0.038 0.000 1.714 76 C HN 0.112 nan 8.230 nan 0.000 0.473 77 D N 0.896 121.294 120.400 -0.004 0.000 2.533 77 D HA 0.293 4.947 4.640 0.024 0.000 0.236 77 D C -0.175 176.194 176.300 0.116 0.000 1.137 77 D CA 0.512 54.552 54.000 0.067 0.000 0.867 77 D CB 0.464 41.297 40.800 0.054 0.000 1.170 77 D HN 0.583 nan 8.370 nan 0.000 0.474 78 L N 5.956 127.296 121.223 0.196 0.000 2.331 78 L HA 0.258 4.612 4.340 0.024 0.000 0.278 78 L C -1.241 175.690 176.870 0.101 0.000 1.106 78 L CA -1.533 53.401 54.840 0.157 0.000 0.824 78 L CB 1.190 43.359 42.059 0.184 0.000 1.142 78 L HN 0.500 nan 8.230 nan 0.000 0.443 79 P HA -0.156 nan 4.420 nan 0.000 0.218 79 P C 0.728 178.056 177.300 0.047 0.000 1.148 79 P CA 1.112 64.244 63.100 0.053 0.000 0.822 79 P CB 0.249 31.974 31.700 0.041 0.000 0.784 80 E N -0.294 119.930 120.200 0.040 0.000 2.418 80 E HA 0.116 4.480 4.350 0.024 0.000 0.197 80 E C 1.055 177.661 176.600 0.010 0.000 1.026 80 E CA 0.173 56.584 56.400 0.018 0.000 0.862 80 E CB -0.646 29.049 29.700 -0.008 0.000 0.799 80 E HN 0.218 nan 8.360 nan 0.000 0.518 81 A N 1.233 124.070 122.820 0.028 0.000 2.429 81 A HA 0.119 4.453 4.320 0.024 0.000 0.242 81 A C 0.011 177.641 177.584 0.077 0.000 1.088 81 A CA -0.194 51.857 52.037 0.025 0.000 0.784 81 A CB 0.324 19.370 19.000 0.076 0.000 1.038 81 A HN -0.051 nan 8.150 nan 0.000 0.501 82 D N -0.440 120.035 120.400 0.125 0.000 2.384 82 D HA 0.514 5.169 4.640 0.024 0.000 0.250 82 D C -0.599 175.816 176.300 0.192 0.000 1.029 82 D CA 0.022 54.123 54.000 0.168 0.000 0.990 82 D CB 1.332 42.288 40.800 0.260 0.000 1.175 82 D HN 0.385 nan 8.370 nan 0.000 0.532 83 T N 0.550 115.200 114.554 0.159 0.000 2.744 83 T HA 0.510 4.874 4.350 0.024 0.000 0.291 83 T C 0.068 174.860 174.700 0.154 0.000 0.957 83 T CA -0.536 61.664 62.100 0.167 0.000 1.002 83 T CB 0.590 69.530 68.868 0.120 0.000 0.919 83 T HN 0.269 nan 8.240 nan 0.000 0.468 84 V N 1.372 121.408 119.914 0.204 0.000 3.130 84 V HA 0.811 4.945 4.120 0.024 0.000 0.310 84 V C -0.427 175.788 176.094 0.202 0.000 1.158 84 V CA -1.022 61.356 62.300 0.130 0.000 1.029 84 V CB 1.711 33.629 31.823 0.159 0.000 1.057 84 V HN 0.498 nan 8.190 nan 0.000 0.436 85 V N 1.890 121.899 119.914 0.158 0.000 2.607 85 V HA 0.564 4.699 4.120 0.024 0.000 0.289 85 V C -0.032 176.159 176.094 0.161 0.000 1.053 85 V CA -0.130 62.269 62.300 0.166 0.000 0.996 85 V CB 1.470 33.357 31.823 0.106 0.000 0.995 85 V HN 0.766 nan 8.190 nan 0.000 0.476 86 V N 6.766 126.699 119.914 0.032 0.000 2.588 86 V HA 0.449 4.583 4.120 0.024 0.000 0.304 86 V C -2.316 173.680 176.094 -0.163 0.000 1.042 86 V CA -1.735 60.441 62.300 -0.208 0.000 0.877 86 V CB 2.475 33.828 31.823 -0.783 0.000 0.996 86 V HN 0.760 nan 8.190 nan 0.000 0.425 87 P HA 0.409 nan 4.420 nan 0.000 0.274 87 P C -0.766 176.465 177.300 -0.116 0.000 1.231 87 P CA -0.033 62.950 63.100 -0.196 0.000 0.790 87 P CB 1.206 32.803 31.700 -0.172 0.000 0.951 88 S N 0.519 116.158 115.700 -0.102 0.000 2.615 88 S HA 0.434 4.918 4.470 0.024 0.000 0.268 88 S C -1.237 173.292 174.600 -0.120 0.000 1.146 88 S CA -1.040 57.081 58.200 -0.132 0.000 0.818 88 S CB 0.602 63.667 63.200 -0.226 0.000 1.111 88 S HN 0.344 nan 8.310 nan 0.000 0.465 89 N N 0.899 119.464 118.700 -0.225 0.000 2.408 89 N HA 0.440 5.194 4.740 0.024 0.000 0.280 89 N C 0.411 175.744 175.510 -0.295 0.000 1.002 89 N CA -0.862 52.025 53.050 -0.272 0.000 0.907 89 N CB 0.755 39.046 38.487 -0.326 0.000 1.161 89 N HN 0.869 nan 8.380 nan 0.000 0.488 90 W N 2.330 123.497 121.300 -0.221 0.000 2.465 90 W HA -0.035 4.640 4.660 0.024 0.000 0.268 90 W C 0.925 177.416 176.519 -0.047 0.000 1.242 90 W CA 0.607 57.821 57.345 -0.218 0.000 1.248 90 W CB -0.329 28.983 29.460 -0.248 0.000 1.118 90 W HN 0.500 nan 8.180 nan 0.000 0.587 91 Q N 0.613 120.376 119.800 -0.061 0.000 2.167 91 Q HA -0.100 4.254 4.340 0.024 0.000 0.202 91 Q C 2.158 178.107 176.000 -0.085 0.000 0.970 91 Q CA 1.787 57.565 55.803 -0.042 0.000 0.855 91 Q CB -0.562 28.036 28.738 -0.235 0.000 0.911 91 Q HN 0.294 nan 8.270 nan 0.000 0.438 92 M N -0.871 118.634 119.600 -0.159 0.000 2.562 92 M HA -0.031 4.463 4.480 0.024 0.000 0.257 92 M C 0.691 177.034 176.300 0.071 0.000 1.099 92 M CA 1.293 56.523 55.300 -0.116 0.000 1.099 92 M CB -0.538 31.972 32.600 -0.149 0.000 1.427 92 M HN 0.386 nan 8.290 nan 0.000 0.489 93 H N -0.646 118.443 119.070 0.033 0.000 2.551 93 H HA 0.263 4.833 4.556 0.024 0.000 0.271 93 H C 1.289 176.504 175.328 -0.188 0.000 0.984 93 H CA 0.138 56.184 56.048 -0.004 0.000 1.164 93 H CB 0.459 30.312 29.762 0.151 0.000 1.437 93 H HN 0.566 nan 8.280 nan 0.000 0.550 94 G N 0.505 109.302 108.800 -0.005 0.000 2.141 94 G HA2 -0.354 3.620 3.960 0.024 0.000 0.242 94 G HA3 -0.354 3.620 3.960 0.024 0.000 0.242 94 G C 0.381 175.158 174.900 -0.205 0.000 0.982 94 G CA 0.257 45.292 45.100 -0.109 0.000 0.662 94 G HN 0.472 nan 8.290 nan 0.000 0.527 95 Y N 1.570 121.890 120.300 0.034 0.000 2.293 95 Y HA 0.237 4.801 4.550 0.024 0.000 0.291 95 Y C 1.674 177.341 175.900 -0.388 0.000 1.137 95 Y CA 1.657 59.662 58.100 -0.158 0.000 1.202 95 Y CB 0.219 38.663 38.460 -0.026 0.000 0.990 95 Y HN 0.654 nan 8.280 nan 0.000 0.537 96 D N -1.904 118.556 120.400 0.100 0.000 2.665 96 D HA 0.497 5.151 4.640 0.024 0.000 0.287 96 D C -1.248 175.130 176.300 0.130 0.000 1.266 96 D CA -0.871 53.177 54.000 0.081 0.000 0.830 96 D CB 0.820 41.776 40.800 0.260 0.000 1.356 96 D HN -0.049 nan 8.370 nan 0.000 0.437 97 A N 0.205 123.109 122.820 0.141 0.000 2.310 97 A HA 0.709 5.043 4.320 0.024 0.000 0.299 97 A C -2.329 175.289 177.584 0.057 0.000 1.147 97 A CA -1.215 50.889 52.037 0.112 0.000 0.818 97 A CB 0.165 19.296 19.000 0.219 0.000 1.096 97 A HN 0.552 nan 8.150 nan 0.000 0.495 98 P HA 0.428 nan 4.420 nan 0.000 0.277 98 P C -0.883 176.582 177.300 0.274 0.000 1.240 98 P CA 0.058 63.113 63.100 -0.075 0.000 0.798 98 P CB 0.777 32.199 31.700 -0.463 0.000 0.979 99 I N 2.094 122.905 120.570 0.402 0.000 2.433 99 I HA 0.258 4.442 4.170 0.024 0.000 0.292 99 I C -0.489 175.793 176.117 0.274 0.000 1.001 99 I CA -0.982 60.546 61.300 0.380 0.000 1.119 99 I CB 1.585 39.750 38.000 0.275 0.000 1.289 99 I HN 0.285 nan 8.210 nan 0.000 0.438 100 Y N 5.969 126.162 120.300 -0.178 0.000 2.491 100 Y HA 0.503 5.067 4.550 0.023 0.000 0.334 100 Y C -0.339 175.385 175.900 -0.293 0.000 0.969 100 Y CA -0.619 57.097 58.100 -0.639 0.000 1.241 100 Y CB 1.075 38.693 38.460 -1.404 0.000 1.105 100 Y HN 0.538 nan 8.280 nan 0.000 0.503 101 T N 5.240 119.327 114.554 -0.779 0.000 2.876 101 T HA 0.263 4.627 4.350 0.024 0.000 0.289 101 T C 0.263 174.491 174.700 -0.786 0.000 1.014 101 T CA -0.572 61.081 62.100 -0.745 0.000 0.986 101 T CB 1.089 69.744 68.868 -0.355 0.000 1.021 101 T HN 0.763 nan 8.240 nan 0.000 0.458 102 N N 2.836 121.095 118.700 -0.736 0.000 2.255 102 N HA 0.050 4.805 4.740 0.024 0.000 0.192 102 N C 1.508 176.752 175.510 -0.444 0.000 1.049 102 N CA 1.414 54.168 53.050 -0.493 0.000 0.886 102 N CB -0.498 37.715 38.487 -0.457 0.000 1.064 102 N HN 0.406 nan 8.380 nan 0.000 0.457 103 V N 0.412 119.997 119.914 -0.547 0.000 2.581 103 V HA 0.126 4.261 4.120 0.024 0.000 0.240 103 V C 0.330 176.111 176.094 -0.522 0.000 1.054 103 V CA 0.717 62.612 62.300 -0.674 0.000 1.076 103 V CB -0.599 30.716 31.823 -0.848 0.000 0.748 103 V HN 0.289 nan 8.190 nan 0.000 0.474 104 T N 1.394 115.707 114.554 -0.401 0.000 2.871 104 T HA 0.074 4.438 4.350 0.024 0.000 0.296 104 T C -0.309 174.254 174.700 -0.228 0.000 0.998 104 T CA 0.375 62.318 62.100 -0.262 0.000 1.162 104 T CB -0.353 68.391 68.868 -0.207 0.000 0.947 104 T HN 0.181 nan 8.240 nan 0.000 0.536 105 Y N 4.957 125.158 120.300 -0.164 0.000 2.578 105 Y HA 0.100 4.664 4.550 0.023 0.000 0.339 105 Y C -0.778 174.998 175.900 -0.207 0.000 1.231 105 Y CA -1.565 56.432 58.100 -0.173 0.000 1.461 105 Y CB 0.502 38.858 38.460 -0.172 0.000 1.323 105 Y HN 0.513 nan 8.280 nan 0.000 0.590 106 P HA 0.024 nan 4.420 nan 0.000 0.245 106 P C -0.405 176.674 177.300 -0.368 0.000 1.212 106 P CA 1.004 64.002 63.100 -0.170 0.000 0.774 106 P CB 0.047 31.697 31.700 -0.082 0.000 0.999 107 I N -5.094 115.234 120.570 -0.404 0.000 3.002 107 I HA 0.494 4.678 4.170 0.024 0.000 0.310 107 I C -0.513 175.472 176.117 -0.219 0.000 1.087 107 I CA -1.247 59.784 61.300 -0.450 0.000 1.017 107 I CB 1.650 39.240 38.000 -0.684 0.000 1.226 107 I HN -0.458 nan 8.210 nan 0.000 0.443 108 T N 2.718 117.187 114.554 -0.142 0.000 2.934 108 T HA 0.143 4.507 4.350 0.024 0.000 0.306 108 T C 0.193 174.880 174.700 -0.022 0.000 1.042 108 T CA -0.203 61.864 62.100 -0.055 0.000 1.145 108 T CB 0.596 69.452 68.868 -0.020 0.000 0.982 108 T HN 0.379 nan 8.240 nan 0.000 0.544 109 V N 4.732 124.648 119.914 0.004 0.000 2.370 109 V HA 0.262 4.396 4.120 0.024 0.000 0.257 109 V C 0.651 176.785 176.094 0.066 0.000 1.064 109 V CA -0.301 62.022 62.300 0.039 0.000 0.975 109 V CB -0.095 31.729 31.823 0.002 0.000 1.067 109 V HN 0.874 nan 8.190 nan 0.000 0.485 110 N N 6.059 124.848 118.700 0.149 0.000 2.666 110 N HA 0.262 5.016 4.740 0.024 0.000 0.253 110 N C -2.927 172.666 175.510 0.139 0.000 1.621 110 N CA -1.228 51.907 53.050 0.142 0.000 0.785 110 N CB 1.499 40.105 38.487 0.199 0.000 1.332 110 N HN 0.278 nan 8.380 nan 0.000 0.514 111 P HA 0.206 nan 4.420 nan 0.000 0.268 111 P C -2.199 174.915 177.300 -0.311 0.000 1.205 111 P CA -0.740 61.972 63.100 -0.646 0.000 0.771 111 P CB 0.623 31.744 31.700 -0.966 0.000 0.858 112 P HA 0.194 nan 4.420 nan 0.000 0.263 112 P C -0.351 176.821 177.300 -0.214 0.000 1.448 112 P CA -0.224 62.683 63.100 -0.320 0.000 0.983 112 P CB 0.027 31.510 31.700 -0.361 0.000 1.481 113 F N 1.117 121.163 119.950 0.160 0.000 2.380 113 F HA 0.284 4.826 4.527 0.024 0.000 0.325 113 F C 1.374 177.343 175.800 0.280 0.000 1.136 113 F CA -0.620 57.491 58.000 0.185 0.000 1.171 113 F CB 0.675 39.734 39.000 0.097 0.000 1.230 113 F HN -0.210 nan 8.300 nan 0.000 0.554 114 V N -1.036 119.154 119.914 0.460 0.000 3.074 114 V HA 0.696 4.830 4.120 0.024 0.000 0.314 114 V C -2.756 173.503 176.094 0.276 0.000 1.117 114 V CA -2.875 59.623 62.300 0.331 0.000 1.014 114 V CB 1.361 33.437 31.823 0.420 0.000 1.057 114 V HN 0.477 nan 8.190 nan 0.000 0.438 115 P HA 0.192 nan 4.420 nan 0.000 0.268 115 P C 1.030 178.468 177.300 0.231 0.000 1.208 115 P CA 0.524 63.713 63.100 0.148 0.000 0.777 115 P CB 0.484 32.236 31.700 0.086 0.000 0.875 116 T N -2.054 112.608 114.554 0.180 0.000 2.904 116 T HA -0.059 4.305 4.350 0.024 0.000 0.267 116 T C 0.615 175.425 174.700 0.183 0.000 1.059 116 T CA 0.732 62.946 62.100 0.189 0.000 1.137 116 T CB -0.442 68.504 68.868 0.129 0.000 0.879 116 T HN 0.367 nan 8.240 nan 0.000 0.467 117 E N 2.666 122.970 120.200 0.174 0.000 1.932 117 E HA 0.209 4.573 4.350 0.024 0.000 0.275 117 E C -0.794 175.961 176.600 0.258 0.000 1.159 117 E CA -0.293 56.215 56.400 0.181 0.000 0.905 117 E CB 0.138 29.947 29.700 0.181 0.000 1.059 117 E HN 0.248 nan 8.360 nan 0.000 0.400 118 N N 4.765 123.593 118.700 0.214 0.000 2.623 118 N HA 0.241 4.996 4.740 0.024 0.000 0.256 118 N C -2.859 172.681 175.510 0.050 0.000 1.045 118 N CA -2.420 50.790 53.050 0.266 0.000 0.863 118 N CB 1.159 39.809 38.487 0.272 0.000 1.182 118 N HN 0.044 nan 8.380 nan 0.000 0.523 119 P HA 0.022 nan 4.420 nan 0.000 0.260 119 P C -0.834 176.355 177.300 -0.186 0.000 1.172 119 P CA 0.495 63.525 63.100 -0.117 0.000 0.760 119 P CB 0.414 32.355 31.700 0.401 0.000 0.773 120 T N 2.803 116.985 114.554 -0.620 0.000 2.812 120 T HA 0.573 4.937 4.350 0.024 0.000 0.282 120 T C 0.210 174.394 174.700 -0.860 0.000 0.990 120 T CA -0.562 61.244 62.100 -0.489 0.000 0.960 120 T CB 1.580 70.206 68.868 -0.403 0.000 0.948 120 T HN 0.334 nan 8.240 nan 0.000 0.438 121 G N 1.021 109.353 108.800 -0.780 0.000 2.370 121 G HA2 0.482 4.456 3.960 0.024 0.000 0.317 121 G HA3 0.482 4.456 3.960 0.024 0.000 0.317 121 G C -0.302 174.314 174.900 -0.474 0.000 1.162 121 G CA -0.354 44.153 45.100 -0.989 0.000 0.922 121 G HN 0.868 nan 8.290 nan 0.000 0.454 122 C N 3.143 121.966 119.300 -0.796 0.000 2.223 122 C HA 0.493 4.967 4.460 0.024 0.000 0.324 122 C C -0.477 174.507 174.990 -0.009 0.000 1.196 122 C CA -0.813 57.928 59.018 -0.461 0.000 1.628 122 C CB -1.714 25.353 27.740 -1.122 0.000 2.229 122 C HN 0.630 nan 8.230 nan 0.000 0.486 123 Y N 1.865 122.466 120.300 0.502 0.000 2.457 123 Y HA 0.672 5.236 4.550 0.024 0.000 0.333 123 Y C 0.766 177.123 175.900 0.762 0.000 1.119 123 Y CA -0.179 58.318 58.100 0.661 0.000 1.143 123 Y CB 1.590 40.427 38.460 0.628 0.000 1.230 123 Y HN 0.676 nan 8.280 nan 0.000 0.469 124 S N 1.779 117.974 115.700 0.825 0.000 2.570 124 S HA 0.786 5.271 4.470 0.024 0.000 0.270 124 S C -2.052 172.611 174.600 0.106 0.000 1.149 124 S CA -0.808 57.632 58.200 0.401 0.000 0.837 124 S CB 2.125 65.433 63.200 0.181 0.000 1.124 124 S HN 0.597 nan 8.310 nan 0.000 0.465 125 L N 0.842 121.938 121.223 -0.212 0.000 2.493 125 L HA 0.729 5.083 4.340 0.024 0.000 0.265 125 L C -1.103 175.706 176.870 -0.102 0.000 0.954 125 L CA 0.130 54.689 54.840 -0.468 0.000 0.844 125 L CB 2.239 43.501 42.059 -1.328 0.000 1.302 125 L HN 0.919 nan 8.230 nan 0.000 0.405 126 T N 5.845 120.373 114.554 -0.043 0.000 2.749 126 T HA 0.752 5.116 4.350 0.024 0.000 0.287 126 T C -0.791 173.963 174.700 0.090 0.000 0.970 126 T CA 0.017 62.130 62.100 0.023 0.000 0.980 126 T CB 0.193 69.039 68.868 -0.037 0.000 0.924 126 T HN 0.469 nan 8.240 nan 0.000 0.456 127 F N 1.009 120.861 119.950 -0.163 0.000 2.711 127 F HA 0.737 5.278 4.527 0.024 0.000 0.313 127 F C -0.815 174.906 175.800 -0.132 0.000 1.141 127 F CA -1.575 56.330 58.000 -0.159 0.000 0.941 127 F CB 1.353 40.234 39.000 -0.198 0.000 1.349 127 F HN 0.362 nan 8.300 nan 0.000 0.464 128 N N 0.174 118.781 118.700 -0.155 0.000 2.492 128 N HA 0.664 5.418 4.740 0.024 0.000 0.289 128 N C -1.943 173.435 175.510 -0.219 0.000 1.133 128 N CA -0.451 52.454 53.050 -0.242 0.000 0.961 128 N CB 1.991 40.400 38.487 -0.129 0.000 1.186 128 N HN 0.652 nan 8.380 nan 0.000 0.493 129 V N 2.065 121.826 119.914 -0.255 0.000 2.577 129 V HA 0.281 4.416 4.120 0.024 0.000 0.303 129 V C -0.886 175.104 176.094 -0.174 0.000 1.042 129 V CA -0.987 61.181 62.300 -0.221 0.000 0.872 129 V CB 1.701 33.441 31.823 -0.139 0.000 0.998 129 V HN 0.719 nan 8.190 nan 0.000 0.423 130 D N 2.924 123.185 120.400 -0.232 0.000 2.389 130 D HA 0.080 4.734 4.640 0.024 0.000 0.247 130 D C 1.021 177.346 176.300 0.041 0.000 1.128 130 D CA -0.011 53.936 54.000 -0.089 0.000 0.884 130 D CB 1.847 42.608 40.800 -0.066 0.000 1.194 130 D HN 0.727 nan 8.370 nan 0.000 0.441 131 E N 1.400 121.626 120.200 0.044 0.000 2.267 131 E HA -0.191 4.173 4.350 0.024 0.000 0.197 131 E C 1.526 178.196 176.600 0.117 0.000 0.998 131 E CA 1.301 57.745 56.400 0.073 0.000 0.830 131 E CB -0.041 29.683 29.700 0.041 0.000 0.751 131 E HN 0.393 nan 8.360 nan 0.000 0.491 132 S N -1.143 114.637 115.700 0.134 0.000 2.442 132 S HA -0.141 4.343 4.470 0.024 0.000 0.236 132 S C 1.562 176.236 174.600 0.123 0.000 1.007 132 S CA 0.777 59.048 58.200 0.118 0.000 0.965 132 S CB -0.708 62.560 63.200 0.113 0.000 0.773 132 S HN 0.399 nan 8.310 nan 0.000 0.504 133 W N 1.427 122.669 121.300 -0.097 0.000 2.584 133 W HA 0.427 5.101 4.660 0.024 0.000 0.264 133 W C 1.797 178.413 176.519 0.162 0.000 1.264 133 W CA -0.198 57.088 57.345 -0.097 0.000 1.306 133 W CB -0.296 29.181 29.460 0.028 0.000 1.110 133 W HN 0.303 nan 8.180 nan 0.000 0.606 134 L N -0.270 121.138 121.223 0.308 0.000 2.470 134 L HA 0.016 4.370 4.340 0.024 0.000 0.219 134 L C 2.469 179.432 176.870 0.156 0.000 1.071 134 L CA 0.496 55.472 54.840 0.227 0.000 0.850 134 L CB -0.733 41.424 42.059 0.163 0.000 1.040 134 L HN -0.006 nan 8.230 nan 0.000 0.475 135 Q N 1.951 121.827 119.800 0.127 0.000 2.364 135 Q HA -0.065 4.289 4.340 0.024 0.000 0.207 135 Q C 0.118 176.170 176.000 0.087 0.000 0.970 135 Q CA 0.667 56.522 55.803 0.087 0.000 0.888 135 Q CB 0.012 28.788 28.738 0.063 0.000 0.951 135 Q HN 0.658 nan 8.270 nan 0.000 0.469 136 E N -1.464 118.810 120.200 0.123 0.000 2.423 136 E HA 0.557 4.922 4.350 0.024 0.000 0.280 136 E C -0.269 176.441 176.600 0.184 0.000 1.030 136 E CA -0.843 55.624 56.400 0.112 0.000 0.812 136 E CB 1.235 30.985 29.700 0.083 0.000 1.313 136 E HN 0.155 nan 8.360 nan 0.000 0.456 137 G N 0.663 109.507 108.800 0.073 0.000 2.750 137 G HA2 -0.253 3.721 3.960 0.024 0.000 0.228 137 G HA3 -0.253 3.721 3.960 0.024 0.000 0.228 137 G C -0.841 173.958 174.900 -0.169 0.000 1.367 137 G CA 0.072 45.116 45.100 -0.093 0.000 0.871 137 G HN 0.749 nan 8.290 nan 0.000 0.560 138 Q N -0.606 118.927 119.800 -0.445 0.000 2.340 138 Q HA 0.632 4.986 4.340 0.024 0.000 0.268 138 Q C -0.912 174.928 176.000 -0.267 0.000 1.031 138 Q CA -0.504 55.160 55.803 -0.233 0.000 0.804 138 Q CB 1.548 30.181 28.738 -0.174 0.000 1.286 138 Q HN 0.617 nan 8.270 nan 0.000 0.448 139 T N 4.871 119.446 114.554 0.034 0.000 2.756 139 T HA 0.463 4.828 4.350 0.024 0.000 0.290 139 T C -0.590 174.229 174.700 0.200 0.000 0.985 139 T CA -0.592 61.640 62.100 0.220 0.000 0.955 139 T CB 0.469 69.611 68.868 0.457 0.000 0.930 139 T HN 0.622 nan 8.240 nan 0.000 0.451 140 R N 2.919 123.525 120.500 0.177 0.000 2.832 140 R HA 0.798 5.153 4.340 0.024 0.000 0.271 140 R C -1.036 175.364 176.300 0.167 0.000 0.996 140 R CA -0.999 55.200 56.100 0.165 0.000 0.977 140 R CB 1.499 31.867 30.300 0.113 0.000 1.168 140 R HN 0.556 nan 8.270 nan 0.000 0.482 141 I N 1.927 122.593 120.570 0.161 0.000 2.562 141 I HA 0.466 4.650 4.170 0.024 0.000 0.301 141 I C -1.135 175.016 176.117 0.057 0.000 1.003 141 I CA -1.343 59.992 61.300 0.060 0.000 1.127 141 I CB 1.513 39.544 38.000 0.051 0.000 1.304 141 I HN 0.622 nan 8.210 nan 0.000 0.446 142 I N 7.084 127.586 120.570 -0.114 0.000 2.447 142 I HA 0.289 4.473 4.170 0.024 0.000 0.287 142 I C -1.311 174.634 176.117 -0.286 0.000 1.023 142 I CA -0.384 60.865 61.300 -0.084 0.000 1.083 142 I CB 1.548 39.516 38.000 -0.054 0.000 1.245 142 I HN 0.397 nan 8.210 nan 0.000 0.434 143 F N 4.619 124.555 119.950 -0.023 0.000 2.313 143 F HA 0.260 4.801 4.527 0.023 0.000 0.369 143 F C 1.301 176.980 175.800 -0.200 0.000 1.109 143 F CA -0.427 57.480 58.000 -0.154 0.000 1.132 143 F CB 0.725 39.582 39.000 -0.238 0.000 1.291 143 F HN 0.452 nan 8.300 nan 0.000 0.496 144 D N 2.320 122.623 120.400 -0.161 0.000 2.264 144 D HA 0.046 4.701 4.640 0.024 0.000 0.208 144 D C 0.998 177.125 176.300 -0.289 0.000 0.966 144 D CA 0.855 54.721 54.000 -0.223 0.000 0.864 144 D CB 0.390 40.997 40.800 -0.322 0.000 0.933 144 D HN 0.615 nan 8.370 nan 0.000 0.499 145 G N -0.421 108.147 108.800 -0.386 0.000 2.505 145 G HA2 0.437 4.411 3.960 0.024 0.000 0.292 145 G HA3 0.437 4.411 3.960 0.024 0.000 0.292 145 G C -1.453 173.174 174.900 -0.454 0.000 1.332 145 G CA -0.415 44.338 45.100 -0.578 0.000 1.286 145 G HN -0.061 nan 8.290 nan 0.000 0.606 146 V N 2.650 122.500 119.914 -0.106 0.000 2.525 146 V HA 0.517 4.651 4.120 0.024 0.000 0.299 146 V C -0.795 175.385 176.094 0.143 0.000 1.034 146 V CA -1.175 61.075 62.300 -0.083 0.000 0.863 146 V CB 1.876 33.388 31.823 -0.519 0.000 0.999 146 V HN 0.693 nan 8.190 nan 0.000 0.423 147 N N 2.610 121.396 118.700 0.143 0.000 2.446 147 N HA 0.337 5.091 4.740 0.024 0.000 0.265 147 N C 0.572 176.023 175.510 -0.098 0.000 0.975 147 N CA 0.160 53.203 53.050 -0.012 0.000 0.928 147 N CB 2.182 40.512 38.487 -0.261 0.000 1.160 147 N HN 0.683 nan 8.380 nan 0.000 0.495 148 S N 1.849 117.530 115.700 -0.032 0.000 2.559 148 S HA 0.578 5.063 4.470 0.024 0.000 0.226 148 S C 0.313 174.977 174.600 0.108 0.000 1.030 148 S CA 0.026 58.253 58.200 0.045 0.000 0.956 148 S CB 0.387 63.622 63.200 0.058 0.000 0.900 148 S HN 0.639 nan 8.310 nan 0.000 0.510 149 A N 0.906 123.800 122.820 0.124 0.000 2.612 149 A HA 0.797 5.132 4.320 0.024 0.000 0.293 149 A C -1.331 176.341 177.584 0.148 0.000 1.075 149 A CA -0.990 51.086 52.037 0.064 0.000 0.680 149 A CB 0.919 19.974 19.000 0.093 0.000 1.279 149 A HN 1.081 nan 8.150 nan 0.000 0.411 150 F N -0.700 119.054 119.950 -0.327 0.000 2.693 150 F HA 0.727 5.268 4.527 0.023 0.000 0.309 150 F C -1.109 174.551 175.800 -0.234 0.000 1.129 150 F CA -0.817 57.080 58.000 -0.171 0.000 0.948 150 F CB 1.154 40.047 39.000 -0.179 0.000 1.315 150 F HN 0.620 nan 8.300 nan 0.000 0.447 151 H N 1.967 121.141 119.070 0.173 0.000 2.472 151 H HA 0.698 5.269 4.556 0.024 0.000 0.338 151 H C -1.422 173.826 175.328 -0.134 0.000 1.133 151 H CA -0.718 55.302 56.048 -0.048 0.000 1.216 151 H CB 2.502 32.224 29.762 -0.068 0.000 1.497 151 H HN 0.749 nan 8.280 nan 0.000 0.500 152 L N 3.127 124.083 121.223 -0.445 0.000 2.385 152 L HA 0.393 4.747 4.340 0.024 0.000 0.273 152 L C -1.580 174.952 176.870 -0.562 0.000 0.990 152 L CA -0.509 54.148 54.840 -0.305 0.000 0.821 152 L CB 1.436 43.180 42.059 -0.525 0.000 1.279 152 L HN 0.522 nan 8.230 nan 0.000 0.412 153 W N 4.163 125.424 121.300 -0.066 0.000 2.781 153 W HA 0.623 5.298 4.660 0.024 0.000 0.345 153 W C -1.084 175.371 176.519 -0.106 0.000 1.085 153 W CA -0.794 56.501 57.345 -0.083 0.000 1.198 153 W CB 2.066 31.519 29.460 -0.012 0.000 1.423 153 W HN 0.600 nan 8.180 nan 0.000 0.532 154 C N 4.429 123.800 119.300 0.119 0.000 2.446 154 C HA 0.289 4.763 4.460 0.024 0.000 0.329 154 C C 0.140 175.247 174.990 0.196 0.000 1.166 154 C CA -0.379 58.709 59.018 0.117 0.000 1.341 154 C CB -0.671 27.071 27.740 0.003 0.000 1.970 154 C HN 0.809 nan 8.230 nan 0.000 0.452 155 N N 3.630 122.405 118.700 0.125 0.000 2.735 155 N HA -0.185 4.569 4.740 0.024 0.000 0.248 155 N C 0.967 176.541 175.510 0.107 0.000 1.083 155 N CA 2.016 55.119 53.050 0.088 0.000 0.703 155 N CB -1.361 37.182 38.487 0.093 0.000 1.005 155 N HN 1.892 nan 8.380 nan 0.000 0.550 156 G N -1.138 107.718 108.800 0.095 0.000 2.205 156 G HA2 -0.372 3.602 3.960 0.024 0.000 0.261 156 G HA3 -0.372 3.602 3.960 0.024 0.000 0.261 156 G C 0.136 175.196 174.900 0.266 0.000 0.980 156 G CA 0.709 45.861 45.100 0.087 0.000 0.632 156 G HN 0.562 nan 8.290 nan 0.000 0.533 157 R N -0.992 119.731 120.500 0.373 0.000 2.460 157 R HA 0.452 4.806 4.340 0.024 0.000 0.303 157 R C -0.276 176.344 176.300 0.533 0.000 0.968 157 R CA -0.865 55.528 56.100 0.488 0.000 0.889 157 R CB 1.151 31.747 30.300 0.494 0.000 1.123 157 R HN 0.222 nan 8.270 nan 0.000 0.455 158 W N 3.528 124.999 121.300 0.285 0.000 2.253 158 W HA 0.103 4.777 4.660 0.023 0.000 0.322 158 W C 0.052 176.467 176.519 -0.173 0.000 1.342 158 W CA -0.009 57.219 57.345 -0.195 0.000 1.218 158 W CB 0.704 30.024 29.460 -0.234 0.000 1.205 158 W HN 0.330 nan 8.180 nan 0.000 0.551 159 V N 5.360 124.526 119.914 -1.246 0.000 2.627 159 V HA 0.537 4.671 4.120 0.024 0.000 0.239 159 V C 1.070 176.133 176.094 -1.720 0.000 1.077 159 V CA 1.022 62.542 62.300 -1.300 0.000 1.103 159 V CB -0.455 30.649 31.823 -1.199 0.000 0.802 159 V HN 0.827 nan 8.190 nan 0.000 0.482 160 G N -1.745 105.790 108.800 -2.107 0.000 2.340 160 G HA2 0.469 4.443 3.960 0.024 0.000 0.299 160 G HA3 0.469 4.443 3.960 0.024 0.000 0.299 160 G C -2.441 171.956 174.900 -0.839 0.000 1.291 160 G CA -0.249 44.009 45.100 -1.402 0.000 0.841 160 G HN 0.038 nan 8.290 nan 0.000 0.500 161 Y N -0.525 119.487 120.300 -0.480 0.000 2.571 161 Y HA 0.721 5.285 4.550 0.024 0.000 0.341 161 Y C -0.102 175.547 175.900 -0.418 0.000 1.076 161 Y CA -0.073 57.701 58.100 -0.543 0.000 1.029 161 Y CB 2.189 40.520 38.460 -0.216 0.000 1.308 161 Y HN 1.291 nan 8.280 nan 0.000 0.461 162 G N 3.529 111.437 108.800 -1.486 0.000 2.718 162 G HA2 0.596 4.570 3.960 0.024 0.000 0.295 162 G HA3 0.596 4.570 3.960 0.024 0.000 0.295 162 G C -2.141 172.308 174.900 -0.752 0.000 1.421 162 G CA -0.906 43.691 45.100 -0.838 0.000 0.902 162 G HN 0.638 nan 8.290 nan 0.000 0.501 163 Q N -0.330 119.287 119.800 -0.305 0.000 2.587 163 Q HA 0.611 4.966 4.340 0.024 0.000 0.293 163 Q C -1.444 174.563 176.000 0.012 0.000 1.083 163 Q CA -0.866 54.881 55.803 -0.095 0.000 0.792 163 Q CB 2.748 31.487 28.738 0.003 0.000 1.484 163 Q HN 0.651 nan 8.270 nan 0.000 0.446 164 D N -0.229 120.214 120.400 0.070 0.000 4.303 164 D HA -0.095 4.559 4.640 0.024 0.000 0.230 164 D C -0.650 175.716 176.300 0.110 0.000 1.172 164 D CA 0.416 54.471 54.000 0.092 0.000 1.001 164 D CB -0.664 40.174 40.800 0.063 0.000 0.641 164 D HN 0.530 nan 8.370 nan 0.000 0.296 165 S N 3.376 119.156 115.700 0.133 0.000 2.603 165 S HA -0.017 4.468 4.470 0.024 0.000 0.229 165 S C 1.519 176.250 174.600 0.219 0.000 0.972 165 S CA 0.358 58.667 58.200 0.181 0.000 0.935 165 S CB 0.285 63.570 63.200 0.141 0.000 0.769 165 S HN 0.454 nan 8.310 nan 0.000 0.536 166 R N 0.211 120.800 120.500 0.148 0.000 2.543 166 R HA 0.431 4.786 4.340 0.024 0.000 0.323 166 R C -0.394 175.961 176.300 0.093 0.000 1.002 166 R CA 0.057 56.242 56.100 0.142 0.000 1.106 166 R CB 0.246 30.652 30.300 0.177 0.000 1.280 166 R HN 0.323 nan 8.270 nan 0.000 0.549 167 L N 1.689 122.939 121.223 0.045 0.000 2.371 167 L HA 0.511 4.865 4.340 0.024 0.000 0.262 167 L C -2.381 174.466 176.870 -0.039 0.000 1.006 167 L CA -2.257 52.581 54.840 -0.003 0.000 0.818 167 L CB 3.011 45.062 42.059 -0.013 0.000 1.354 167 L HN -0.207 nan 8.230 nan 0.000 0.415 168 P HA 0.116 nan 4.420 nan 0.000 0.271 168 P C -1.012 176.256 177.300 -0.054 0.000 1.216 168 P CA -0.225 62.829 63.100 -0.078 0.000 0.776 168 P CB 1.184 32.802 31.700 -0.137 0.000 0.881 169 S N 1.745 117.474 115.700 0.048 0.000 2.473 169 S HA 0.364 4.848 4.470 0.024 0.000 0.307 169 S C -0.410 174.152 174.600 -0.063 0.000 1.094 169 S CA -0.585 57.608 58.200 -0.012 0.000 1.070 169 S CB 1.062 64.414 63.200 0.252 0.000 1.019 169 S HN 0.383 nan 8.310 nan 0.000 0.480 170 E N 1.597 121.542 120.200 -0.424 0.000 2.288 170 E HA 0.605 4.969 4.350 0.024 0.000 0.268 170 E C -1.521 174.679 176.600 -0.667 0.000 0.885 170 E CA -0.597 55.634 56.400 -0.282 0.000 0.767 170 E CB 1.872 31.511 29.700 -0.102 0.000 1.220 170 E HN 0.423 nan 8.360 nan 0.000 0.427 171 F N 0.466 120.471 119.950 0.092 0.000 2.591 171 F HA 0.194 4.735 4.527 0.024 0.000 0.309 171 F C -0.190 175.639 175.800 0.048 0.000 1.098 171 F CA -1.066 56.953 58.000 0.032 0.000 0.937 171 F CB 1.682 40.670 39.000 -0.019 0.000 1.250 171 F HN 0.274 nan 8.300 nan 0.000 0.447 172 D N 2.866 123.401 120.400 0.224 0.000 2.325 172 D HA 0.235 4.889 4.640 0.024 0.000 0.251 172 D C 0.293 176.742 176.300 0.248 0.000 1.196 172 D CA 0.277 54.393 54.000 0.194 0.000 0.866 172 D CB 1.030 41.924 40.800 0.156 0.000 1.101 172 D HN 0.572 nan 8.370 nan 0.000 0.476 173 L N 2.798 124.173 121.223 0.252 0.000 2.640 173 L HA 0.030 4.385 4.340 0.024 0.000 0.230 173 L C 2.120 179.226 176.870 0.393 0.000 1.123 173 L CA -0.176 54.859 54.840 0.325 0.000 0.900 173 L CB 0.063 42.269 42.059 0.246 0.000 1.146 173 L HN 0.274 nan 8.230 nan 0.000 0.484 174 S N 1.408 117.279 115.700 0.286 0.000 2.372 174 S HA -0.277 4.207 4.470 0.024 0.000 0.227 174 S C 2.050 176.755 174.600 0.175 0.000 1.044 174 S CA 1.865 60.192 58.200 0.212 0.000 1.050 174 S CB -0.163 63.119 63.200 0.137 0.000 0.901 174 S HN 0.567 nan 8.310 nan 0.000 0.447 175 A N -0.596 122.307 122.820 0.139 0.000 2.238 175 A HA 0.308 4.642 4.320 0.024 0.000 0.208 175 A C 1.312 178.791 177.584 -0.176 0.000 1.177 175 A CA 0.385 52.385 52.037 -0.061 0.000 0.804 175 A CB -0.424 18.449 19.000 -0.212 0.000 0.823 175 A HN 0.483 nan 8.150 nan 0.000 0.482 176 F N -0.777 119.216 119.950 0.071 0.000 2.720 176 F HA 0.374 4.915 4.527 0.024 0.000 0.301 176 F C 0.666 176.503 175.800 0.061 0.000 1.103 176 F CA -0.094 57.946 58.000 0.067 0.000 1.291 176 F CB 0.150 39.196 39.000 0.077 0.000 1.086 176 F HN -0.020 nan 8.300 nan 0.000 0.592 177 L N 0.824 122.196 121.223 0.248 0.000 2.416 177 L HA 0.554 4.908 4.340 0.024 0.000 0.262 177 L C 0.070 176.983 176.870 0.070 0.000 1.093 177 L CA -0.852 54.074 54.840 0.144 0.000 0.801 177 L CB 1.310 43.465 42.059 0.159 0.000 1.191 177 L HN 0.002 nan 8.230 nan 0.000 0.459 178 R N 0.806 121.311 120.500 0.009 0.000 2.771 178 R HA 0.790 5.144 4.340 0.024 0.000 0.274 178 R C -1.046 175.232 176.300 -0.037 0.000 0.987 178 R CA -0.903 55.193 56.100 -0.006 0.000 0.908 178 R CB 1.517 31.804 30.300 -0.022 0.000 1.213 178 R HN 0.552 nan 8.270 nan 0.000 0.468 179 A N 1.379 124.188 122.820 -0.019 0.000 2.540 179 A HA 0.462 4.796 4.320 0.024 0.000 0.239 179 A C 1.076 178.616 177.584 -0.073 0.000 1.061 179 A CA 1.189 53.205 52.037 -0.034 0.000 0.758 179 A CB -0.801 18.192 19.000 -0.012 0.000 0.991 179 A HN 1.409 nan 8.150 nan 0.000 0.502 180 G N 1.337 110.076 108.800 -0.103 0.000 2.475 180 G HA2 -0.088 3.886 3.960 0.024 0.000 0.223 180 G HA3 -0.088 3.886 3.960 0.024 0.000 0.223 180 G C -0.409 174.369 174.900 -0.203 0.000 1.201 180 G CA -0.085 44.940 45.100 -0.125 0.000 0.962 180 G HN 0.912 nan 8.290 nan 0.000 0.586 181 E N 2.048 122.134 120.200 -0.189 0.000 2.316 181 E HA 0.411 4.775 4.350 0.024 0.000 0.275 181 E C 0.258 176.667 176.600 -0.319 0.000 1.029 181 E CA -0.009 56.239 56.400 -0.253 0.000 0.871 181 E CB 0.654 30.254 29.700 -0.166 0.000 1.022 181 E HN 0.478 nan 8.360 nan 0.000 0.418 182 N N 2.001 120.380 118.700 -0.535 0.000 2.357 182 N HA 0.398 5.152 4.740 0.024 0.000 0.284 182 N C -0.766 174.507 175.510 -0.394 0.000 1.236 182 N CA -0.667 52.079 53.050 -0.506 0.000 0.774 182 N CB 2.697 40.702 38.487 -0.802 0.000 1.534 182 N HN 0.200 nan 8.380 nan 0.000 0.478 183 R N 1.413 121.841 120.500 -0.121 0.000 2.513 183 R HA 0.496 4.851 4.340 0.024 0.000 0.301 183 R C -1.220 175.156 176.300 0.127 0.000 0.968 183 R CA -0.473 55.638 56.100 0.019 0.000 0.872 183 R CB 1.051 31.319 30.300 -0.054 0.000 1.177 183 R HN 0.481 nan 8.270 nan 0.000 0.444 184 L N 2.957 124.300 121.223 0.201 0.000 2.343 184 L HA 0.748 5.102 4.340 0.024 0.000 0.275 184 L C -0.234 176.693 176.870 0.095 0.000 1.056 184 L CA -0.925 54.020 54.840 0.175 0.000 0.804 184 L CB 1.906 44.058 42.059 0.155 0.000 1.203 184 L HN 0.752 nan 8.230 nan 0.000 0.440 185 A N 2.809 125.704 122.820 0.125 0.000 2.359 185 A HA 0.750 5.084 4.320 0.024 0.000 0.303 185 A C -1.093 176.780 177.584 0.483 0.000 1.066 185 A CA -0.444 51.589 52.037 -0.007 0.000 0.730 185 A CB 1.581 20.046 19.000 -0.891 0.000 1.211 185 A HN 0.369 nan 8.150 nan 0.000 0.439 186 V N 3.503 123.862 119.914 0.741 0.000 2.483 186 V HA 0.479 4.613 4.120 0.024 0.000 0.297 186 V C -0.153 176.462 176.094 0.869 0.000 1.027 186 V CA -0.300 62.425 62.300 0.708 0.000 0.855 186 V CB 1.589 33.658 31.823 0.410 0.000 0.995 186 V HN 0.970 nan 8.190 nan 0.000 0.424 187 M N 5.970 126.099 119.600 0.883 0.000 2.088 187 M HA 0.597 5.091 4.480 0.024 0.000 0.346 187 M C -1.490 175.067 176.300 0.428 0.000 1.111 187 M CA -0.404 55.239 55.300 0.571 0.000 1.017 187 M CB 1.266 34.233 32.600 0.612 0.000 1.568 187 M HN 0.467 nan 8.290 nan 0.000 0.445 188 V N 6.872 126.998 119.914 0.353 0.000 2.370 188 V HA 0.380 4.514 4.120 0.024 0.000 0.279 188 V C -0.110 176.148 176.094 0.272 0.000 1.029 188 V CA -0.668 61.846 62.300 0.356 0.000 0.870 188 V CB 1.369 33.510 31.823 0.529 0.000 0.984 188 V HN 0.812 nan 8.190 nan 0.000 0.451 189 L N 4.994 126.307 121.223 0.151 0.000 2.276 189 L HA 0.487 4.842 4.340 0.024 0.000 0.286 189 L C 1.590 178.481 176.870 0.035 0.000 1.061 189 L CA -0.314 54.536 54.840 0.016 0.000 0.807 189 L CB 1.099 43.068 42.059 -0.149 0.000 1.177 189 L HN 0.643 nan 8.230 nan 0.000 0.429 190 R N 2.952 123.433 120.500 -0.032 0.000 2.073 190 R HA -0.072 4.282 4.340 0.024 0.000 0.234 190 R C -0.374 175.606 176.300 -0.533 0.000 1.134 190 R CA 1.396 57.236 56.100 -0.434 0.000 0.952 190 R CB 0.199 30.061 30.300 -0.730 0.000 0.850 190 R HN 0.560 nan 8.270 nan 0.000 0.433 191 W N 0.098 121.464 121.300 0.110 0.000 2.606 191 W HA 0.430 5.103 4.660 0.023 0.000 0.332 191 W C -0.383 176.250 176.519 0.190 0.000 1.052 191 W CA -0.792 56.625 57.345 0.120 0.000 1.223 191 W CB 1.779 31.312 29.460 0.121 0.000 1.383 191 W HN 0.016 nan 8.180 nan 0.000 0.524 192 S N -1.008 114.975 115.700 0.471 0.000 2.643 192 S HA 0.217 4.701 4.470 0.024 0.000 0.270 192 S C 0.095 174.954 174.600 0.431 0.000 1.166 192 S CA -0.478 58.013 58.200 0.485 0.000 0.815 192 S CB 1.186 64.645 63.200 0.431 0.000 1.139 192 S HN 0.636 nan 8.310 nan 0.000 0.472 193 D N 0.379 121.037 120.400 0.431 0.000 2.263 193 D HA 0.061 4.715 4.640 0.024 0.000 0.208 193 D C 1.759 178.376 176.300 0.528 0.000 0.971 193 D CA 1.157 55.464 54.000 0.512 0.000 0.867 193 D CB -0.658 40.314 40.800 0.287 0.000 0.929 193 D HN 0.701 nan 8.370 nan 0.000 0.492 194 G N 0.167 109.194 108.800 0.378 0.000 2.448 194 G HA2 -0.264 3.710 3.960 0.024 0.000 0.219 194 G HA3 -0.264 3.710 3.960 0.024 0.000 0.219 194 G C 1.705 176.795 174.900 0.316 0.000 1.127 194 G CA 0.687 45.984 45.100 0.328 0.000 0.766 194 G HN 0.308 nan 8.290 nan 0.000 0.552 195 S N -0.127 115.743 115.700 0.284 0.000 2.419 195 S HA -0.096 4.388 4.470 0.024 0.000 0.233 195 S C 1.859 176.568 174.600 0.182 0.000 1.016 195 S CA 0.673 59.012 58.200 0.231 0.000 0.974 195 S CB -0.383 62.961 63.200 0.240 0.000 0.786 195 S HN 0.560 nan 8.310 nan 0.000 0.492 196 Y N 1.036 121.478 120.300 0.236 0.000 2.497 196 Y HA 0.111 4.675 4.550 0.024 0.000 0.292 196 Y C 1.525 177.549 175.900 0.206 0.000 1.137 196 Y CA 0.598 58.764 58.100 0.111 0.000 1.285 196 Y CB -0.151 38.218 38.460 -0.151 0.000 0.991 196 Y HN 0.198 nan 8.280 nan 0.000 0.556 197 L N -0.270 121.159 121.223 0.343 0.000 2.700 197 L HA 0.146 4.500 4.340 0.024 0.000 0.234 197 L C -0.062 176.954 176.870 0.243 0.000 1.156 197 L CA 0.418 55.416 54.840 0.262 0.000 0.946 197 L CB 0.094 42.313 42.059 0.267 0.000 1.216 197 L HN 0.132 nan 8.230 nan 0.000 0.493 198 E N -0.076 120.280 120.200 0.261 0.000 4.044 198 E HA 0.046 4.411 4.350 0.024 0.000 0.216 198 E C -0.551 176.161 176.600 0.187 0.000 1.104 198 E CA -0.056 56.480 56.400 0.226 0.000 1.383 198 E CB 0.570 30.396 29.700 0.209 0.000 1.195 198 E HN 0.012 nan 8.360 nan 0.000 0.442 199 D N 1.107 121.574 120.400 0.113 0.000 2.706 199 D HA 0.041 4.695 4.640 0.024 0.000 0.236 199 D C -0.200 176.094 176.300 -0.009 0.000 1.231 199 D CA -0.120 53.835 54.000 -0.076 0.000 0.828 199 D CB 0.187 40.684 40.800 -0.506 0.000 1.015 199 D HN 0.081 nan 8.370 nan 0.000 0.484 200 Q N 0.446 120.333 119.800 0.146 0.000 2.395 200 Q HA 0.110 4.464 4.340 0.024 0.000 0.271 200 Q C -0.117 176.000 176.000 0.196 0.000 1.026 200 Q CA 0.094 56.048 55.803 0.251 0.000 0.900 200 Q CB 0.601 29.640 28.738 0.501 0.000 1.266 200 Q HN 0.073 nan 8.270 nan 0.000 0.430 201 D N 3.110 123.647 120.400 0.228 0.000 2.441 201 D HA 0.177 4.832 4.640 0.024 0.000 0.243 201 D C -0.782 175.658 176.300 0.234 0.000 1.257 201 D CA 0.166 54.275 54.000 0.181 0.000 1.027 201 D CB -0.408 40.483 40.800 0.152 0.000 1.084 201 D HN 0.487 nan 8.370 nan 0.000 0.514 202 M N 0.440 120.150 119.600 0.182 0.000 3.012 202 M HA 0.357 4.851 4.480 0.024 0.000 0.272 202 M C -1.304 175.068 176.300 0.121 0.000 1.187 202 M CA -1.179 54.148 55.300 0.044 0.000 0.813 202 M CB 0.915 33.474 32.600 -0.069 0.000 1.626 202 M HN -0.082 nan 8.290 nan 0.000 0.507 203 W N 1.963 123.332 121.300 0.115 0.000 2.231 203 W HA 0.299 4.974 4.660 0.024 0.000 0.341 203 W C 0.276 176.814 176.519 0.032 0.000 1.298 203 W CA 0.085 57.493 57.345 0.104 0.000 1.266 203 W CB 0.303 29.760 29.460 -0.005 0.000 1.172 203 W HN 0.286 nan 8.180 nan 0.000 0.568 204 R N 4.644 125.313 120.500 0.282 0.000 2.215 204 R HA 0.432 4.786 4.340 0.024 0.000 0.337 204 R C -0.156 176.153 176.300 0.016 0.000 1.010 204 R CA -0.304 55.884 56.100 0.146 0.000 0.871 204 R CB 0.238 30.692 30.300 0.258 0.000 1.134 204 R HN 0.543 nan 8.270 nan 0.000 0.477 205 M N 0.309 119.808 119.600 -0.170 0.000 2.821 205 M HA 0.533 5.027 4.480 0.024 0.000 0.294 205 M C 0.020 175.970 176.300 -0.584 0.000 1.195 205 M CA -0.847 54.231 55.300 -0.370 0.000 0.784 205 M CB 2.350 34.733 32.600 -0.363 0.000 1.755 205 M HN 0.633 nan 8.290 nan 0.000 0.477 206 S N -1.092 114.118 115.700 -0.816 0.000 2.615 206 S HA 0.978 5.462 4.470 0.024 0.000 0.269 206 S C -0.606 173.474 174.600 -0.867 0.000 1.161 206 S CA -0.160 57.475 58.200 -0.941 0.000 0.817 206 S CB 1.982 64.452 63.200 -1.216 0.000 1.131 206 S HN 1.424 nan 8.310 nan 0.000 0.467 207 G N -0.114 108.425 108.800 -0.435 0.000 2.343 207 G HA2 0.205 4.179 3.960 0.024 0.000 0.465 207 G HA3 0.205 4.179 3.960 0.024 0.000 0.465 207 G C -1.562 173.364 174.900 0.042 0.000 1.282 207 G CA -0.666 44.479 45.100 0.075 0.000 0.996 207 G HN 1.085 nan 8.290 nan 0.000 0.521 208 I N 1.970 122.423 120.570 -0.194 0.000 2.276 208 I HA 0.298 4.482 4.170 0.024 0.000 0.290 208 I C 0.969 176.948 176.117 -0.230 0.000 1.109 208 I CA -0.271 60.789 61.300 -0.401 0.000 1.229 208 I CB -0.044 37.437 38.000 -0.865 0.000 1.452 208 I HN 0.515 nan 8.210 nan 0.000 0.497 209 F N 4.524 124.318 119.950 -0.259 0.000 2.678 209 F HA 0.499 5.040 4.527 0.023 0.000 0.305 209 F C 0.554 176.266 175.800 -0.146 0.000 1.090 209 F CA -0.575 57.305 58.000 -0.200 0.000 1.272 209 F CB 0.156 39.044 39.000 -0.188 0.000 1.060 209 F HN 0.133 nan 8.300 nan 0.000 0.576 210 R N 0.251 120.319 120.500 -0.719 0.000 2.905 210 R HA 0.243 4.597 4.340 0.024 0.000 0.260 210 R C -0.872 175.199 176.300 -0.381 0.000 1.086 210 R CA -1.210 54.569 56.100 -0.535 0.000 0.978 210 R CB 0.679 30.577 30.300 -0.671 0.000 1.215 210 R HN -0.053 nan 8.270 nan 0.000 0.480 211 D N 0.885 121.106 120.400 -0.298 0.000 2.478 211 D HA 0.068 4.722 4.640 0.024 0.000 0.234 211 D C -0.456 175.685 176.300 -0.265 0.000 1.154 211 D CA 0.548 54.411 54.000 -0.227 0.000 0.874 211 D CB 0.619 41.321 40.800 -0.162 0.000 1.198 211 D HN -0.006 nan 8.370 nan 0.000 0.455 212 V N 1.324 121.092 119.914 -0.244 0.000 2.540 212 V HA 0.531 4.666 4.120 0.024 0.000 0.302 212 V C 0.125 176.084 176.094 -0.225 0.000 1.035 212 V CA -0.536 61.556 62.300 -0.348 0.000 0.873 212 V CB 1.672 33.292 31.823 -0.338 0.000 0.992 212 V HN 0.760 nan 8.190 nan 0.000 0.428 213 S N 4.850 120.402 115.700 -0.246 0.000 2.651 213 S HA 0.850 5.335 4.470 0.024 0.000 0.279 213 S C -1.288 173.254 174.600 -0.097 0.000 1.148 213 S CA -0.931 57.195 58.200 -0.124 0.000 0.837 213 S CB 1.905 65.068 63.200 -0.062 0.000 1.138 213 S HN 0.446 nan 8.310 nan 0.000 0.478 214 L N 1.437 122.667 121.223 0.011 0.000 2.341 214 L HA 0.684 5.038 4.340 0.024 0.000 0.278 214 L C -1.344 175.726 176.870 0.333 0.000 1.005 214 L CA -0.843 54.087 54.840 0.151 0.000 0.818 214 L CB 1.702 43.845 42.059 0.139 0.000 1.259 214 L HN 0.680 nan 8.230 nan 0.000 0.418 215 L N 3.304 124.708 121.223 0.302 0.000 2.356 215 L HA 0.464 4.819 4.340 0.024 0.000 0.277 215 L C -0.717 176.209 176.870 0.093 0.000 0.996 215 L CA -0.116 54.843 54.840 0.198 0.000 0.822 215 L CB 1.410 43.532 42.059 0.105 0.000 1.256 215 L HN 0.491 nan 8.230 nan 0.000 0.413 216 H N 5.390 124.265 119.070 -0.325 0.000 2.488 216 H HA 0.470 5.040 4.556 0.024 0.000 0.322 216 H C -1.208 173.908 175.328 -0.353 0.000 1.078 216 H CA -0.559 55.158 56.048 -0.550 0.000 1.260 216 H CB 1.094 29.997 29.762 -1.432 0.000 1.425 216 H HN 0.530 nan 8.280 nan 0.000 0.471 217 K N 5.505 125.535 120.400 -0.618 0.000 2.328 217 K HA 0.374 4.708 4.320 0.024 0.000 0.246 217 K C -2.701 173.636 176.600 -0.439 0.000 0.955 217 K CA -2.058 53.998 56.287 -0.385 0.000 0.817 217 K CB 2.136 34.478 32.500 -0.262 0.000 1.208 217 K HN 0.486 nan 8.250 nan 0.000 0.432 218 P HA 0.150 nan 4.420 nan 0.000 0.274 218 P C 0.491 177.713 177.300 -0.130 0.000 1.246 218 P CA -0.177 62.847 63.100 -0.127 0.000 0.795 218 P CB 0.465 32.133 31.700 -0.054 0.000 1.006 219 T N -0.909 113.594 114.554 -0.084 0.000 2.788 219 T HA -0.051 4.313 4.350 0.024 0.000 0.268 219 T C 0.633 175.291 174.700 -0.069 0.000 1.044 219 T CA 1.603 63.661 62.100 -0.070 0.000 1.139 219 T CB -0.586 68.260 68.868 -0.037 0.000 0.867 219 T HN 0.426 nan 8.240 nan 0.000 0.454 220 T N 3.741 118.262 114.554 -0.056 0.000 2.738 220 T HA 0.434 4.798 4.350 0.024 0.000 0.298 220 T C -0.227 174.430 174.700 -0.071 0.000 0.962 220 T CA -0.572 61.489 62.100 -0.064 0.000 0.972 220 T CB 0.478 69.327 68.868 -0.032 0.000 0.928 220 T HN 0.483 nan 8.240 nan 0.000 0.474 221 Q N 2.501 122.241 119.800 -0.099 0.000 2.565 221 Q HA 0.603 4.957 4.340 0.024 0.000 0.294 221 Q C -1.201 174.732 176.000 -0.111 0.000 1.005 221 Q CA -1.178 54.557 55.803 -0.114 0.000 0.771 221 Q CB 1.314 29.961 28.738 -0.151 0.000 1.486 221 Q HN 0.444 nan 8.270 nan 0.000 0.422 222 I N 2.550 123.036 120.570 -0.139 0.000 2.436 222 I HA 0.018 4.202 4.170 0.024 0.000 0.289 222 I C 0.732 176.761 176.117 -0.147 0.000 1.083 222 I CA 0.057 61.296 61.300 -0.101 0.000 1.372 222 I CB 1.012 38.919 38.000 -0.155 0.000 1.408 222 I HN 0.873 nan 8.210 nan 0.000 0.516 223 S N 2.590 118.303 115.700 0.022 0.000 2.511 223 S HA 0.203 4.688 4.470 0.024 0.000 0.214 223 S C 0.153 174.963 174.600 0.349 0.000 0.997 223 S CA -0.286 57.995 58.200 0.136 0.000 0.908 223 S CB 0.258 63.495 63.200 0.061 0.000 0.803 223 S HN 0.718 nan 8.310 nan 0.000 0.504 224 D N -0.190 120.407 120.400 0.328 0.000 2.683 224 D HA 0.511 5.166 4.640 0.024 0.000 0.246 224 D C -1.906 174.562 176.300 0.279 0.000 1.238 224 D CA -0.723 53.463 54.000 0.309 0.000 0.759 224 D CB 1.546 42.420 40.800 0.123 0.000 1.349 224 D HN 0.197 nan 8.370 nan 0.000 0.426 225 F N -0.627 119.383 119.950 0.100 0.000 2.650 225 F HA 0.608 5.150 4.527 0.024 0.000 0.310 225 F C -1.489 174.373 175.800 0.104 0.000 1.112 225 F CA -0.803 57.190 58.000 -0.013 0.000 0.986 225 F CB 1.258 40.298 39.000 0.067 0.000 1.285 225 F HN 0.238 nan 8.300 nan 0.000 0.440 226 H N 1.824 120.966 119.070 0.121 0.000 2.589 226 H HA 0.744 5.314 4.556 0.024 0.000 0.351 226 H C -1.305 174.069 175.328 0.076 0.000 1.074 226 H CA -1.488 54.566 56.048 0.010 0.000 1.203 226 H CB 2.650 32.401 29.762 -0.018 0.000 1.558 226 H HN 0.606 nan 8.280 nan 0.000 0.522 227 V N 2.348 122.365 119.914 0.172 0.000 2.448 227 V HA 0.644 4.779 4.120 0.024 0.000 0.295 227 V C -0.205 175.886 176.094 -0.005 0.000 1.025 227 V CA -0.566 61.786 62.300 0.086 0.000 0.859 227 V CB 1.310 33.180 31.823 0.078 0.000 0.988 227 V HN 0.924 nan 8.190 nan 0.000 0.431 228 A N 3.321 126.116 122.820 -0.041 0.000 2.380 228 A HA 0.959 5.294 4.320 0.024 0.000 0.315 228 A C -0.118 177.365 177.584 -0.167 0.000 1.101 228 A CA -0.504 51.487 52.037 -0.077 0.000 0.771 228 A CB 1.932 20.907 19.000 -0.042 0.000 1.287 228 A HN 0.945 nan 8.150 nan 0.000 0.436 229 T N -0.099 114.337 114.554 -0.197 0.000 2.949 229 T HA 0.716 5.080 4.350 0.024 0.000 0.300 229 T C -0.568 173.920 174.700 -0.353 0.000 0.988 229 T CA -0.680 61.209 62.100 -0.352 0.000 0.993 229 T CB 0.850 69.397 68.868 -0.535 0.000 0.984 229 T HN 0.714 nan 8.240 nan 0.000 0.442 230 R N 2.029 122.255 120.500 -0.457 0.000 2.778 230 R HA 0.836 5.190 4.340 0.024 0.000 0.277 230 R C -1.152 174.782 176.300 -0.610 0.000 0.977 230 R CA -0.778 55.128 56.100 -0.323 0.000 0.950 230 R CB 1.612 31.840 30.300 -0.121 0.000 1.165 230 R HN 0.545 nan 8.270 nan 0.000 0.474 231 F N 0.066 120.010 119.950 -0.011 0.000 2.640 231 F HA 0.358 4.898 4.527 0.021 0.000 0.324 231 F C 0.419 176.096 175.800 -0.205 0.000 1.077 231 F CA -1.100 56.842 58.000 -0.098 0.000 0.965 231 F CB 1.106 39.979 39.000 -0.211 0.000 1.351 231 F HN 0.559 nan 8.300 nan 0.000 0.487 232 N N -0.098 118.593 118.700 -0.016 0.000 2.364 232 N HA 0.054 4.808 4.740 0.024 0.000 0.264 232 N C 0.445 175.799 175.510 -0.260 0.000 1.263 232 N CA -0.126 52.866 53.050 -0.097 0.000 0.959 232 N CB 0.041 38.498 38.487 -0.049 0.000 1.204 232 N HN 0.665 nan 8.380 nan 0.000 0.550 233 D N -1.539 118.756 120.400 -0.174 0.000 2.178 233 D HA -0.216 4.439 4.640 0.024 0.000 0.201 233 D C 0.174 176.364 176.300 -0.183 0.000 0.980 233 D CA 1.396 55.288 54.000 -0.180 0.000 0.842 233 D CB -0.511 40.253 40.800 -0.060 0.000 0.948 233 D HN 0.729 nan 8.370 nan 0.000 0.472 234 D N -1.661 118.681 120.400 -0.097 0.000 2.462 234 D HA 0.043 4.697 4.640 0.024 0.000 0.221 234 D C 0.090 176.522 176.300 0.220 0.000 1.173 234 D CA -0.965 53.092 54.000 0.096 0.000 0.831 234 D CB -1.006 39.858 40.800 0.108 0.000 1.001 234 D HN 0.175 nan 8.370 nan 0.000 0.499 235 F N 0.305 120.305 119.950 0.084 0.000 2.953 235 F HA -0.296 4.245 4.527 0.023 0.000 0.292 235 F C 1.680 177.559 175.800 0.132 0.000 0.747 235 F CA 0.808 58.868 58.000 0.100 0.000 1.222 235 F CB -2.438 36.515 39.000 -0.078 0.000 1.457 235 F HN 0.207 nan 8.300 nan 0.000 0.383 236 S N -0.872 114.929 115.700 0.169 0.000 2.528 236 S HA 0.194 4.678 4.470 0.024 0.000 0.219 236 S C 0.696 175.350 174.600 0.091 0.000 0.985 236 S CA -0.035 58.239 58.200 0.122 0.000 0.914 236 S CB 0.362 63.610 63.200 0.080 0.000 0.776 236 S HN 0.342 nan 8.310 nan 0.000 0.526 237 R N 0.686 121.245 120.500 0.098 0.000 2.673 237 R HA 0.822 5.177 4.340 0.024 0.000 0.281 237 R C -1.238 175.096 176.300 0.057 0.000 0.991 237 R CA -0.370 55.756 56.100 0.044 0.000 0.896 237 R CB 1.876 32.178 30.300 0.004 0.000 1.201 237 R HN 0.214 nan 8.270 nan 0.000 0.457 238 A N 1.502 124.298 122.820 -0.040 0.000 2.469 238 A HA 0.718 5.053 4.320 0.024 0.000 0.299 238 A C -1.086 176.418 177.584 -0.133 0.000 1.098 238 A CA -0.723 51.208 52.037 -0.178 0.000 0.737 238 A CB 2.172 21.050 19.000 -0.203 0.000 1.312 238 A HN 0.335 nan 8.150 nan 0.000 0.414 239 V N 1.821 121.631 119.914 -0.174 0.000 2.378 239 V HA 0.395 4.529 4.120 0.024 0.000 0.288 239 V C -0.431 175.604 176.094 -0.098 0.000 1.016 239 V CA -0.320 61.918 62.300 -0.104 0.000 0.840 239 V CB 1.268 33.033 31.823 -0.095 0.000 0.994 239 V HN 0.785 nan 8.190 nan 0.000 0.431 240 L N 4.687 125.891 121.223 -0.030 0.000 2.265 240 L HA 0.580 4.934 4.340 0.024 0.000 0.288 240 L C 0.044 176.877 176.870 -0.062 0.000 1.058 240 L CA 0.083 54.882 54.840 -0.068 0.000 0.809 240 L CB 1.038 43.090 42.059 -0.011 0.000 1.179 240 L HN 0.768 nan 8.230 nan 0.000 0.429 241 E N 4.261 124.420 120.200 -0.069 0.000 2.165 241 E HA 0.639 5.004 4.350 0.024 0.000 0.266 241 E C -1.359 175.236 176.600 -0.009 0.000 0.889 241 E CA -0.723 55.655 56.400 -0.037 0.000 0.756 241 E CB 1.648 31.327 29.700 -0.035 0.000 1.131 241 E HN 0.700 nan 8.360 nan 0.000 0.411 242 A N 4.682 127.504 122.820 0.004 0.000 2.285 242 A HA 0.297 4.631 4.320 0.024 0.000 0.310 242 A C -0.585 177.014 177.584 0.026 0.000 1.266 242 A CA -0.653 51.410 52.037 0.043 0.000 0.832 242 A CB 0.927 19.949 19.000 0.036 0.000 1.163 242 A HN 0.734 nan 8.150 nan 0.000 0.499 243 E N 2.535 122.752 120.200 0.028 0.000 2.259 243 E HA 0.521 4.886 4.350 0.024 0.000 0.281 243 E C -1.238 175.337 176.600 -0.041 0.000 1.027 243 E CA -0.295 56.084 56.400 -0.034 0.000 0.838 243 E CB 1.028 30.678 29.700 -0.083 0.000 1.066 243 E HN 0.375 nan 8.360 nan 0.000 0.401 244 V N 4.650 124.564 119.914 0.000 0.000 2.656 244 V HA 0.295 4.429 4.120 0.024 0.000 0.307 244 V C -0.482 175.696 176.094 0.140 0.000 1.051 244 V CA -0.803 61.547 62.300 0.084 0.000 0.893 244 V CB 1.805 33.675 31.823 0.079 0.000 0.999 244 V HN 0.754 nan 8.190 nan 0.000 0.426 245 Q N 3.809 123.679 119.800 0.117 0.000 2.348 245 Q HA 0.857 5.211 4.340 0.024 0.000 0.271 245 Q C -0.913 175.117 176.000 0.051 0.000 1.067 245 Q CA -0.922 54.928 55.803 0.078 0.000 0.839 245 Q CB 2.729 31.454 28.738 -0.020 0.000 1.354 245 Q HN 0.805 nan 8.270 nan 0.000 0.447 246 M N -1.074 118.438 119.600 -0.148 0.000 2.690 246 M HA 0.758 5.252 4.480 0.024 0.000 0.302 246 M C -1.402 174.766 176.300 -0.219 0.000 1.234 246 M CA -0.510 54.640 55.300 -0.250 0.000 0.853 246 M CB 1.609 33.850 32.600 -0.597 0.000 1.748 246 M HN 0.526 nan 8.290 nan 0.000 0.469 247 C N 0.736 119.935 119.300 -0.169 0.000 2.707 247 C HA 1.046 5.520 4.460 0.024 0.000 0.313 247 C C 0.568 175.475 174.990 -0.139 0.000 1.209 247 C CA 0.505 59.447 59.018 -0.127 0.000 1.635 247 C CB 1.075 28.772 27.740 -0.072 0.000 2.206 247 C HN 1.420 nan 8.230 nan 0.000 0.485 248 G N 1.567 110.298 108.800 -0.115 0.000 2.373 248 G HA2 0.076 4.050 3.960 0.024 0.000 0.634 248 G HA3 0.076 4.050 3.960 0.024 0.000 0.634 248 G C -1.159 173.672 174.900 -0.115 0.000 1.267 248 G CA -0.529 44.510 45.100 -0.102 0.000 1.008 248 G HN 0.953 nan 8.290 nan 0.000 0.497 249 E N -0.284 119.859 120.200 -0.096 0.000 2.259 249 E HA 0.486 4.850 4.350 0.024 0.000 0.281 249 E C 0.463 176.974 176.600 -0.149 0.000 1.037 249 E CA -0.597 55.742 56.400 -0.101 0.000 0.854 249 E CB 0.432 30.092 29.700 -0.068 0.000 1.051 249 E HN 0.487 nan 8.360 nan 0.000 0.409 250 L N 4.708 125.836 121.223 -0.160 0.000 2.417 250 L HA 0.355 4.709 4.340 0.024 0.000 0.268 250 L C 0.449 177.196 176.870 -0.205 0.000 1.158 250 L CA -0.179 54.546 54.840 -0.192 0.000 0.819 250 L CB 0.522 42.492 42.059 -0.150 0.000 1.112 250 L HN 0.531 nan 8.230 nan 0.000 0.458 251 R N 1.248 121.578 120.500 -0.284 0.000 2.668 251 R HA 0.177 4.532 4.340 0.024 0.000 0.272 251 R C -0.392 175.681 176.300 -0.378 0.000 1.019 251 R CA -0.769 55.068 56.100 -0.439 0.000 0.894 251 R CB 1.577 31.274 30.300 -1.004 0.000 1.228 251 R HN 0.533 nan 8.270 nan 0.000 0.460 252 D N 1.061 121.315 120.400 -0.242 0.000 2.263 252 D HA -0.133 4.521 4.640 0.024 0.000 0.208 252 D C 1.460 177.729 176.300 -0.051 0.000 0.971 252 D CA 1.488 55.430 54.000 -0.097 0.000 0.867 252 D CB 0.142 40.930 40.800 -0.020 0.000 0.929 252 D HN 0.564 nan 8.370 nan 0.000 0.492 253 Y N -0.108 120.203 120.300 0.019 0.000 2.546 253 Y HA 0.257 4.821 4.550 0.024 0.000 0.287 253 Y C 0.796 176.695 175.900 -0.002 0.000 1.158 253 Y CA -0.479 57.626 58.100 0.010 0.000 1.307 253 Y CB -0.871 37.596 38.460 0.013 0.000 1.036 253 Y HN -0.196 nan 8.280 nan 0.000 0.532 254 L N 2.431 123.621 121.223 -0.055 0.000 2.452 254 L HA 0.341 4.695 4.340 0.024 0.000 0.267 254 L C 0.265 177.102 176.870 -0.055 0.000 1.188 254 L CA -0.197 54.664 54.840 0.035 0.000 0.821 254 L CB 0.517 42.632 42.059 0.093 0.000 1.102 254 L HN 0.152 nan 8.230 nan 0.000 0.470 255 R N 1.414 121.765 120.500 -0.247 0.000 2.739 255 R HA 0.678 5.032 4.340 0.024 0.000 0.271 255 R C -1.550 174.394 176.300 -0.593 0.000 1.010 255 R CA -0.782 55.025 56.100 -0.489 0.000 0.897 255 R CB 2.231 32.066 30.300 -0.776 0.000 1.236 255 R HN 0.274 nan 8.270 nan 0.000 0.466 256 V N 0.857 120.476 119.914 -0.492 0.000 2.656 256 V HA 0.509 4.643 4.120 0.024 0.000 0.307 256 V C -0.388 175.660 176.094 -0.077 0.000 1.051 256 V CA -0.519 61.604 62.300 -0.296 0.000 0.893 256 V CB 2.407 33.993 31.823 -0.395 0.000 0.999 256 V HN 0.725 nan 8.190 nan 0.000 0.426 257 T N 3.874 118.496 114.554 0.113 0.000 2.807 257 T HA 0.634 4.998 4.350 0.024 0.000 0.279 257 T C -0.725 173.992 174.700 0.029 0.000 0.993 257 T CA -0.359 61.804 62.100 0.106 0.000 0.970 257 T CB 1.662 70.618 68.868 0.147 0.000 0.950 257 T HN 0.342 nan 8.240 nan 0.000 0.441 258 V N 3.702 123.613 119.914 -0.005 0.000 2.448 258 V HA 0.689 4.823 4.120 0.024 0.000 0.295 258 V C -0.012 176.080 176.094 -0.002 0.000 1.025 258 V CA -0.760 61.533 62.300 -0.010 0.000 0.859 258 V CB 1.789 33.595 31.823 -0.029 0.000 0.988 258 V HN 1.043 nan 8.190 nan 0.000 0.431 259 S N 5.295 121.020 115.700 0.040 0.000 2.536 259 S HA 0.876 5.360 4.470 0.024 0.000 0.298 259 S C -1.139 173.472 174.600 0.020 0.000 1.083 259 S CA -0.762 57.432 58.200 -0.010 0.000 0.995 259 S CB 2.128 65.346 63.200 0.031 0.000 1.058 259 S HN 0.567 nan 8.310 nan 0.000 0.488 260 L N 2.172 123.298 121.223 -0.161 0.000 2.362 260 L HA 0.794 5.148 4.340 0.024 0.000 0.275 260 L C -1.981 174.793 176.870 -0.159 0.000 0.998 260 L CA -0.328 54.516 54.840 0.007 0.000 0.820 260 L CB 1.083 43.166 42.059 0.040 0.000 1.270 260 L HN 0.909 nan 8.230 nan 0.000 0.415 261 W N 3.452 124.859 121.300 0.178 0.000 2.761 261 W HA 0.648 5.322 4.660 0.024 0.000 0.340 261 W C -0.687 175.923 176.519 0.153 0.000 1.072 261 W CA -0.486 56.938 57.345 0.131 0.000 1.215 261 W CB 1.611 31.100 29.460 0.048 0.000 1.420 261 W HN 0.374 nan 8.180 nan 0.000 0.519 262 Q N 2.201 122.156 119.800 0.259 0.000 2.464 262 Q HA 0.527 4.881 4.340 0.024 0.000 0.256 262 Q C 0.436 176.461 176.000 0.042 0.000 1.020 262 Q CA 0.218 55.998 55.803 -0.037 0.000 0.716 262 Q CB 0.804 29.406 28.738 -0.226 0.000 1.230 262 Q HN 0.764 nan 8.270 nan 0.000 0.494 263 G N 3.353 112.178 108.800 0.042 0.000 2.591 263 G HA2 -0.346 3.628 3.960 0.024 0.000 0.298 263 G HA3 -0.346 3.628 3.960 0.024 0.000 0.298 263 G C 0.565 175.542 174.900 0.128 0.000 1.195 263 G CA 0.351 45.478 45.100 0.045 0.000 0.989 263 G HN 0.588 nan 8.290 nan 0.000 0.551 264 E N 0.816 121.088 120.200 0.119 0.000 2.474 264 E HA 0.134 4.499 4.350 0.024 0.000 0.194 264 E C 0.560 177.365 176.600 0.341 0.000 1.041 264 E CA 0.524 57.028 56.400 0.172 0.000 0.874 264 E CB 0.105 29.851 29.700 0.075 0.000 0.914 264 E HN 0.381 nan 8.360 nan 0.000 0.498 265 T N 1.257 115.966 114.554 0.258 0.000 2.817 265 T HA 0.085 4.449 4.350 0.024 0.000 0.293 265 T C -0.066 174.688 174.700 0.089 0.000 0.964 265 T CA -0.135 62.064 62.100 0.165 0.000 1.085 265 T CB 1.422 70.329 68.868 0.066 0.000 0.921 265 T HN 0.034 nan 8.240 nan 0.000 0.502 266 Q N 3.235 122.884 119.800 -0.253 0.000 2.314 266 Q HA 0.249 4.604 4.340 0.024 0.000 0.257 266 Q C 0.495 176.235 176.000 -0.433 0.000 0.975 266 Q CA -0.404 54.867 55.803 -0.887 0.000 0.933 266 Q CB 0.661 28.721 28.738 -1.130 0.000 1.195 266 Q HN 0.542 nan 8.270 nan 0.000 0.426 267 V N 3.086 122.801 119.914 -0.332 0.000 2.535 267 V HA 0.158 4.292 4.120 0.024 0.000 0.246 267 V C 0.458 176.449 176.094 -0.172 0.000 1.045 267 V CA 1.463 63.677 62.300 -0.144 0.000 1.058 267 V CB 0.081 31.916 31.823 0.021 0.000 0.689 267 V HN 0.820 nan 8.190 nan 0.000 0.461 268 A N -1.403 121.278 122.820 -0.232 0.000 2.601 268 A HA 0.772 5.107 4.320 0.024 0.000 0.291 268 A C -0.782 176.681 177.584 -0.201 0.000 1.075 268 A CA 0.069 52.002 52.037 -0.175 0.000 0.671 268 A CB 1.907 20.841 19.000 -0.110 0.000 1.277 268 A HN 0.101 nan 8.150 nan 0.000 0.417 269 S N -0.958 114.658 115.700 -0.140 0.000 2.542 269 S HA 0.726 5.210 4.470 0.024 0.000 0.276 269 S C -0.595 173.962 174.600 -0.071 0.000 1.148 269 S CA 0.263 58.395 58.200 -0.113 0.000 0.886 269 S CB 1.414 64.537 63.200 -0.128 0.000 1.109 269 S HN 2.321 nan 8.310 nan 0.000 0.458 270 G N 1.821 110.592 108.800 -0.049 0.000 2.667 270 G HA2 0.693 4.667 3.960 0.024 0.000 0.298 270 G HA3 0.693 4.667 3.960 0.024 0.000 0.298 270 G C -1.272 173.614 174.900 -0.024 0.000 1.377 270 G CA -0.448 44.628 45.100 -0.039 0.000 0.964 270 G HN 0.725 nan 8.290 nan 0.000 0.493 271 T N -0.369 114.174 114.554 -0.019 0.000 2.906 271 T HA 0.867 5.231 4.350 0.024 0.000 0.295 271 T C -0.434 174.234 174.700 -0.052 0.000 1.061 271 T CA -0.036 62.061 62.100 -0.005 0.000 1.000 271 T CB 1.913 70.815 68.868 0.057 0.000 1.103 271 T HN 1.587 nan 8.240 nan 0.000 0.486 272 A N 2.784 125.537 122.820 -0.112 0.000 2.605 272 A HA 0.865 5.199 4.320 0.024 0.000 0.294 272 A C -3.133 174.308 177.584 -0.238 0.000 1.062 272 A CA -1.482 50.469 52.037 -0.142 0.000 0.682 272 A CB 1.249 20.164 19.000 -0.142 0.000 1.278 272 A HN 0.530 nan 8.150 nan 0.000 0.410 273 P HA 0.520 nan 4.420 nan 0.000 0.278 273 P C -0.543 176.608 177.300 -0.250 0.000 1.266 273 P CA -0.257 62.729 63.100 -0.191 0.000 0.807 273 P CB 0.378 32.038 31.700 -0.068 0.000 1.094 274 F N -0.054 119.858 119.950 -0.063 0.000 2.496 274 F HA 0.450 4.991 4.527 0.023 0.000 0.344 274 F C 1.500 177.284 175.800 -0.027 0.000 1.155 274 F CA 1.579 59.551 58.000 -0.046 0.000 1.302 274 F CB 0.240 39.208 39.000 -0.053 0.000 1.159 274 F HN 0.565 nan 8.300 nan 0.000 0.595 275 G N 1.648 110.563 108.800 0.193 0.000 2.486 275 G HA2 0.364 4.338 3.960 0.024 0.000 0.220 275 G HA3 0.364 4.338 3.960 0.024 0.000 0.220 275 G C -0.508 174.446 174.900 0.091 0.000 1.313 275 G CA -0.702 44.468 45.100 0.118 0.000 1.187 275 G HN 1.034 nan 8.290 nan 0.000 0.599 276 G N 0.621 109.496 108.800 0.124 0.000 2.588 276 G HA2 0.706 4.680 3.960 0.024 0.000 0.281 276 G HA3 0.706 4.680 3.960 0.024 0.000 0.281 276 G C 0.436 175.382 174.900 0.077 0.000 1.236 276 G CA -0.001 45.161 45.100 0.104 0.000 0.969 276 G HN 1.100 nan 8.290 nan 0.000 0.504 277 E N -1.022 119.216 120.200 0.064 0.000 2.409 277 E HA 0.219 4.583 4.350 0.024 0.000 0.257 277 E C -0.111 176.517 176.600 0.046 0.000 1.150 277 E CA -0.605 55.821 56.400 0.044 0.000 0.942 277 E CB 0.885 30.606 29.700 0.035 0.000 0.979 277 E HN 0.299 nan 8.360 nan 0.000 0.447 278 I N 1.916 122.501 120.570 0.025 0.000 2.683 278 I HA -0.139 4.046 4.170 0.024 0.000 0.286 278 I C 0.851 176.981 176.117 0.021 0.000 1.175 278 I CA 0.102 61.409 61.300 0.012 0.000 1.429 278 I CB 0.315 38.317 38.000 0.003 0.000 1.371 278 I HN 0.635 nan 8.210 nan 0.000 0.569 279 I N 3.657 124.234 120.570 0.013 0.000 3.300 279 I HA 0.085 4.270 4.170 0.024 0.000 0.279 279 I C 0.433 176.554 176.117 0.006 0.000 1.172 279 I CA 0.871 62.188 61.300 0.029 0.000 1.431 279 I CB -0.522 37.501 38.000 0.039 0.000 1.240 279 I HN 0.689 nan 8.210 nan 0.000 0.453 280 D N -1.293 119.096 120.400 -0.019 0.000 2.946 280 D HA 0.114 4.768 4.640 0.024 0.000 0.337 280 D C 0.351 176.636 176.300 -0.025 0.000 1.332 280 D CA -0.417 53.572 54.000 -0.017 0.000 0.935 280 D CB 0.494 41.283 40.800 -0.018 0.000 1.440 280 D HN -0.290 nan 8.370 nan 0.000 0.540 281 E N -1.034 119.153 120.200 -0.021 0.000 2.331 281 E HA -0.057 4.307 4.350 0.024 0.000 0.199 281 E C 1.285 177.867 176.600 -0.030 0.000 1.008 281 E CA 0.974 57.362 56.400 -0.021 0.000 0.843 281 E CB -0.034 29.656 29.700 -0.017 0.000 0.761 281 E HN 0.206 nan 8.360 nan 0.000 0.507 282 R N -0.520 119.953 120.500 -0.045 0.000 2.334 282 R HA 0.303 4.657 4.340 0.024 0.000 0.216 282 R C 0.826 177.085 176.300 -0.068 0.000 0.905 282 R CA 0.693 56.759 56.100 -0.056 0.000 1.064 282 R CB 0.695 30.955 30.300 -0.067 0.000 1.046 282 R HN 0.209 nan 8.270 nan 0.000 0.508 283 G N -0.641 108.121 108.800 -0.064 0.000 2.358 283 G HA2 -0.075 3.899 3.960 0.024 0.000 0.198 283 G HA3 -0.075 3.899 3.960 0.024 0.000 0.198 283 G C -0.314 174.535 174.900 -0.084 0.000 1.220 283 G CA -0.614 44.448 45.100 -0.063 0.000 1.187 283 G HN 0.458 nan 8.290 nan 0.000 0.544 284 G N -1.986 106.761 108.800 -0.089 0.000 3.022 284 G HA2 0.646 4.620 3.960 0.024 0.000 0.284 284 G HA3 0.646 4.620 3.960 0.024 0.000 0.284 284 G C -1.603 173.209 174.900 -0.145 0.000 1.375 284 G CA -0.731 44.323 45.100 -0.077 0.000 0.902 284 G HN 0.776 nan 8.290 nan 0.000 0.538 285 Y N 1.063 121.374 120.300 0.018 0.000 2.504 285 Y HA 0.415 4.978 4.550 0.023 0.000 0.351 285 Y C 1.467 177.385 175.900 0.030 0.000 0.988 285 Y CA 0.173 58.284 58.100 0.019 0.000 1.239 285 Y CB 1.685 40.161 38.460 0.027 0.000 1.128 285 Y HN 0.551 nan 8.280 nan 0.000 0.525 286 A N 1.810 124.696 122.820 0.109 0.000 2.119 286 A HA -0.139 4.196 4.320 0.024 0.000 0.217 286 A C 1.385 179.027 177.584 0.097 0.000 1.153 286 A CA 1.351 53.438 52.037 0.083 0.000 0.692 286 A CB -0.267 18.744 19.000 0.020 0.000 0.799 286 A HN 0.794 nan 8.150 nan 0.000 0.458 287 D N -0.866 119.582 120.400 0.080 0.000 2.358 287 D HA 0.139 4.793 4.640 0.024 0.000 0.224 287 D C 0.521 176.839 176.300 0.029 0.000 1.123 287 D CA -0.024 53.926 54.000 -0.083 0.000 0.833 287 D CB -0.008 40.734 40.800 -0.096 0.000 0.946 287 D HN 0.393 nan 8.370 nan 0.000 0.505 288 R N -0.920 119.747 120.500 0.280 0.000 2.855 288 R HA 0.757 5.111 4.340 0.024 0.000 0.266 288 R C -1.608 174.883 176.300 0.319 0.000 1.034 288 R CA -1.157 55.127 56.100 0.307 0.000 0.944 288 R CB 2.940 33.288 30.300 0.079 0.000 1.219 288 R HN -0.023 nan 8.270 nan 0.000 0.474 289 V N 0.093 120.092 119.914 0.142 0.000 3.077 289 V HA 0.484 4.619 4.120 0.024 0.000 0.299 289 V C -1.592 174.478 176.094 -0.041 0.000 1.276 289 V CA -0.305 61.985 62.300 -0.018 0.000 0.993 289 V CB 2.779 34.465 31.823 -0.228 0.000 1.076 289 V HN 0.811 nan 8.190 nan 0.000 0.434 290 T N 7.106 121.636 114.554 -0.040 0.000 2.792 290 T HA 0.612 4.976 4.350 0.024 0.000 0.280 290 T C -0.935 173.737 174.700 -0.047 0.000 0.990 290 T CA -0.406 61.674 62.100 -0.034 0.000 0.960 290 T CB 1.061 69.920 68.868 -0.015 0.000 0.939 290 T HN 0.452 nan 8.240 nan 0.000 0.439 291 L N 3.483 124.678 121.223 -0.047 0.000 2.322 291 L HA 0.591 4.945 4.340 0.024 0.000 0.279 291 L C 0.399 177.247 176.870 -0.037 0.000 1.036 291 L CA -0.484 54.327 54.840 -0.049 0.000 0.807 291 L CB 1.513 43.540 42.059 -0.053 0.000 1.226 291 L HN 0.550 nan 8.230 nan 0.000 0.433 292 R N 3.701 124.179 120.500 -0.038 0.000 2.439 292 R HA 0.708 5.062 4.340 0.024 0.000 0.310 292 R C -1.178 175.098 176.300 -0.039 0.000 0.955 292 R CA -0.609 55.468 56.100 -0.037 0.000 0.853 292 R CB 2.067 32.345 30.300 -0.036 0.000 1.171 292 R HN 0.468 nan 8.270 nan 0.000 0.449 293 L N 2.673 123.874 121.223 -0.037 0.000 2.362 293 L HA 0.464 4.818 4.340 0.024 0.000 0.275 293 L C -0.266 176.580 176.870 -0.041 0.000 0.998 293 L CA -1.070 53.746 54.840 -0.040 0.000 0.820 293 L CB 1.859 43.898 42.059 -0.034 0.000 1.270 293 L HN 0.477 nan 8.230 nan 0.000 0.415 294 N N 2.091 120.760 118.700 -0.051 0.000 2.499 294 N HA 0.404 5.159 4.740 0.024 0.000 0.281 294 N C -0.930 174.533 175.510 -0.078 0.000 1.098 294 N CA -0.234 52.781 53.050 -0.059 0.000 0.979 294 N CB 2.656 41.112 38.487 -0.053 0.000 1.121 294 N HN 0.188 nan 8.380 nan 0.000 0.466 295 V N 2.278 122.129 119.914 -0.105 0.000 2.483 295 V HA 0.191 4.326 4.120 0.024 0.000 0.297 295 V C -0.105 175.903 176.094 -0.143 0.000 1.027 295 V CA -0.843 61.354 62.300 -0.172 0.000 0.855 295 V CB 1.938 33.544 31.823 -0.362 0.000 0.995 295 V HN 0.475 nan 8.190 nan 0.000 0.424 296 E N 3.016 123.156 120.200 -0.099 0.000 2.283 296 E HA 0.305 4.669 4.350 0.024 0.000 0.278 296 E C 0.215 176.787 176.600 -0.047 0.000 1.027 296 E CA -0.348 56.019 56.400 -0.055 0.000 0.843 296 E CB 0.701 30.381 29.700 -0.034 0.000 1.062 296 E HN 0.756 nan 8.360 nan 0.000 0.401 297 N N 1.167 119.863 118.700 -0.008 0.000 2.705 297 N HA -0.147 4.608 4.740 0.024 0.000 0.255 297 N C -2.481 173.029 175.510 0.000 0.000 1.008 297 N CA 0.052 53.113 53.050 0.018 0.000 0.742 297 N CB -1.021 37.478 38.487 0.022 0.000 0.906 297 N HN 0.312 nan 8.380 nan 0.000 0.541 298 P HA 0.004 nan 4.420 nan 0.000 0.269 298 P C -0.365 176.969 177.300 0.057 0.000 1.209 298 P CA 0.391 63.395 63.100 -0.161 0.000 0.776 298 P CB 0.707 32.154 31.700 -0.423 0.000 0.876 299 K N 2.400 122.923 120.400 0.205 0.000 2.312 299 K HA 0.306 4.640 4.320 0.024 0.000 0.287 299 K C 0.195 176.958 176.600 0.270 0.000 1.062 299 K CA -0.419 55.984 56.287 0.192 0.000 0.934 299 K CB 0.282 32.875 32.500 0.154 0.000 1.027 299 K HN 0.408 nan 8.250 nan 0.000 0.478 300 L N 2.406 123.714 121.223 0.140 0.000 2.399 300 L HA 0.327 4.681 4.340 0.024 0.000 0.266 300 L C -0.091 176.858 176.870 0.133 0.000 1.114 300 L CA -0.823 54.099 54.840 0.138 0.000 0.804 300 L CB 0.466 42.451 42.059 -0.123 0.000 1.146 300 L HN 0.622 nan 8.230 nan 0.000 0.451 301 W N 2.803 124.131 121.300 0.047 0.000 2.438 301 W HA 0.496 5.170 4.660 0.023 0.000 0.324 301 W C -0.053 176.423 176.519 -0.072 0.000 1.119 301 W CA 0.058 57.420 57.345 0.029 0.000 1.221 301 W CB 1.365 30.894 29.460 0.115 0.000 1.253 301 W HN 0.616 nan 8.180 nan 0.000 0.555 302 S N 2.921 118.067 115.700 -0.923 0.000 2.643 302 S HA 0.647 5.131 4.470 0.024 0.000 0.270 302 S C 0.082 173.899 174.600 -1.305 0.000 1.166 302 S CA -0.359 57.337 58.200 -0.840 0.000 0.815 302 S CB 1.116 64.134 63.200 -0.304 0.000 1.139 302 S HN 1.010 nan 8.310 nan 0.000 0.472 303 A N 0.349 122.569 122.820 -1.001 0.000 2.066 303 A HA 0.086 4.420 4.320 0.024 0.000 0.218 303 A C 1.748 179.014 177.584 -0.530 0.000 1.157 303 A CA 1.292 52.763 52.037 -0.945 0.000 0.670 303 A CB -0.903 17.401 19.000 -1.160 0.000 0.804 303 A HN 0.856 nan 8.150 nan 0.000 0.453 304 E N -0.718 119.309 120.200 -0.288 0.000 2.072 304 E HA 0.042 4.406 4.350 0.024 0.000 0.190 304 E C -0.231 176.227 176.600 -0.236 0.000 0.982 304 E CA 0.700 56.980 56.400 -0.200 0.000 0.803 304 E CB 0.017 29.732 29.700 0.026 0.000 0.755 304 E HN 0.592 nan 8.360 nan 0.000 0.453 305 I N 1.836 122.248 120.570 -0.263 0.000 2.542 305 I HA 0.156 4.340 4.170 0.024 0.000 0.278 305 I C -2.522 173.386 176.117 -0.349 0.000 1.069 305 I CA -1.924 59.243 61.300 -0.221 0.000 1.100 305 I CB 2.290 40.212 38.000 -0.131 0.000 1.204 305 I HN -0.226 nan 8.210 nan 0.000 0.470 306 P HA 0.098 nan 4.420 nan 0.000 0.220 306 P C -0.608 176.672 177.300 -0.033 0.000 1.806 306 P CA -0.288 62.523 63.100 -0.481 0.000 0.976 306 P CB -0.247 31.326 31.700 -0.213 0.000 1.952 307 N N 1.865 120.578 118.700 0.022 0.000 2.447 307 N HA 0.119 4.874 4.740 0.024 0.000 0.263 307 N C 0.093 175.811 175.510 0.347 0.000 1.226 307 N CA 0.516 53.653 53.050 0.144 0.000 0.906 307 N CB 0.709 39.287 38.487 0.151 0.000 1.060 307 N HN 0.304 nan 8.380 nan 0.000 0.468 308 L N 2.300 123.661 121.223 0.230 0.000 2.371 308 L HA 0.485 4.840 4.340 0.024 0.000 0.262 308 L C -0.767 176.196 176.870 0.154 0.000 1.006 308 L CA -0.873 54.159 54.840 0.320 0.000 0.818 308 L CB 1.303 43.507 42.059 0.242 0.000 1.354 308 L HN 0.377 nan 8.230 nan 0.000 0.415 309 Y N 0.168 120.618 120.300 0.249 0.000 2.631 309 Y HA 0.679 5.244 4.550 0.024 0.000 0.328 309 Y C -0.201 175.821 175.900 0.203 0.000 1.118 309 Y CA -0.836 57.411 58.100 0.246 0.000 1.206 309 Y CB 1.591 40.257 38.460 0.343 0.000 1.337 309 Y HN 0.376 nan 8.280 nan 0.000 0.515 310 R N 0.869 121.607 120.500 0.396 0.000 2.513 310 R HA 0.806 5.161 4.340 0.024 0.000 0.301 310 R C -1.724 174.767 176.300 0.318 0.000 0.968 310 R CA -0.543 55.722 56.100 0.275 0.000 0.872 310 R CB 1.223 31.628 30.300 0.174 0.000 1.177 310 R HN 0.741 nan 8.270 nan 0.000 0.444 311 A N 3.766 126.716 122.820 0.217 0.000 2.276 311 A HA 0.644 4.978 4.320 0.024 0.000 0.316 311 A C -1.045 176.599 177.584 0.101 0.000 1.229 311 A CA -0.626 51.513 52.037 0.170 0.000 0.851 311 A CB 1.260 20.327 19.000 0.112 0.000 1.165 311 A HN 0.479 nan 8.150 nan 0.000 0.513 312 V N 3.291 123.271 119.914 0.110 0.000 2.448 312 V HA 0.418 4.552 4.120 0.024 0.000 0.295 312 V C -0.458 175.614 176.094 -0.037 0.000 1.025 312 V CA -0.491 61.816 62.300 0.011 0.000 0.859 312 V CB 1.735 33.588 31.823 0.049 0.000 0.988 312 V HN 0.628 nan 8.190 nan 0.000 0.431 313 V N 4.813 124.638 119.914 -0.147 0.000 2.334 313 V HA 0.435 4.569 4.120 0.024 0.000 0.281 313 V C -0.129 175.914 176.094 -0.086 0.000 1.016 313 V CA -0.566 61.632 62.300 -0.170 0.000 0.832 313 V CB 1.434 33.004 31.823 -0.423 0.000 0.999 313 V HN 0.925 nan 8.190 nan 0.000 0.439 314 E N 3.879 124.080 120.200 0.003 0.000 2.166 314 E HA 0.532 4.897 4.350 0.024 0.000 0.275 314 E C -1.033 175.655 176.600 0.147 0.000 0.941 314 E CA -0.865 55.581 56.400 0.076 0.000 0.784 314 E CB 2.629 32.397 29.700 0.114 0.000 1.115 314 E HN 0.478 nan 8.360 nan 0.000 0.399 315 L N 4.326 125.618 121.223 0.115 0.000 2.272 315 L HA 0.425 4.779 4.340 0.024 0.000 0.289 315 L C -0.972 175.996 176.870 0.163 0.000 1.032 315 L CA 0.120 55.018 54.840 0.097 0.000 0.810 315 L CB 0.230 42.336 42.059 0.080 0.000 1.205 315 L HN 0.692 nan 8.230 nan 0.000 0.422 316 H N 0.229 119.337 119.070 0.062 0.000 2.933 316 H HA 0.792 5.362 4.556 0.024 0.000 0.310 316 H C -0.766 174.628 175.328 0.110 0.000 1.351 316 H CA -0.493 55.595 56.048 0.067 0.000 1.137 316 H CB 0.766 30.549 29.762 0.035 0.000 1.853 316 H HN 0.538 nan 8.280 nan 0.000 0.539 317 T N -2.336 112.353 114.554 0.225 0.000 2.912 317 T HA 0.558 4.923 4.350 0.024 0.000 0.280 317 T C 1.412 176.245 174.700 0.221 0.000 0.989 317 T CA -0.411 61.811 62.100 0.202 0.000 0.995 317 T CB 1.479 70.425 68.868 0.129 0.000 1.077 317 T HN 0.935 nan 8.240 nan 0.000 0.531 318 A N 1.032 123.953 122.820 0.170 0.000 2.024 318 A HA -0.087 4.247 4.320 0.024 0.000 0.220 318 A C 1.809 179.462 177.584 0.116 0.000 1.164 318 A CA 1.810 53.932 52.037 0.141 0.000 0.643 318 A CB -1.081 17.990 19.000 0.118 0.000 0.806 318 A HN 0.976 nan 8.150 nan 0.000 0.451 319 D N -2.309 118.134 120.400 0.072 0.000 2.349 319 D HA 0.274 4.929 4.640 0.024 0.000 0.224 319 D C 1.121 177.448 176.300 0.044 0.000 1.029 319 D CA 0.960 54.982 54.000 0.036 0.000 0.879 319 D CB -0.516 40.279 40.800 -0.007 0.000 0.906 319 D HN 0.799 nan 8.370 nan 0.000 0.528 320 G N -0.753 108.105 108.800 0.097 0.000 2.179 320 G HA2 -0.228 3.747 3.960 0.024 0.000 0.220 320 G HA3 -0.228 3.747 3.960 0.024 0.000 0.220 320 G C 0.266 175.189 174.900 0.037 0.000 0.990 320 G CA 0.092 45.219 45.100 0.045 0.000 0.646 320 G HN 0.413 nan 8.290 nan 0.000 0.517 321 T N 1.846 116.442 114.554 0.070 0.000 2.814 321 T HA 0.478 4.842 4.350 0.024 0.000 0.297 321 T C 0.383 175.141 174.700 0.097 0.000 0.956 321 T CA -0.115 62.016 62.100 0.053 0.000 1.123 321 T CB 1.814 70.699 68.868 0.029 0.000 0.902 321 T HN 0.558 nan 8.240 nan 0.000 0.528 322 L N 4.745 126.006 121.223 0.063 0.000 2.410 322 L HA 0.317 4.671 4.340 0.024 0.000 0.273 322 L C 0.772 177.692 176.870 0.085 0.000 1.152 322 L CA 0.409 55.301 54.840 0.086 0.000 0.855 322 L CB 0.107 42.189 42.059 0.038 0.000 1.129 322 L HN 0.700 nan 8.230 nan 0.000 0.463 323 I N 2.491 123.123 120.570 0.103 0.000 2.685 323 I HA 0.128 4.313 4.170 0.024 0.000 0.251 323 I C 0.270 176.413 176.117 0.043 0.000 1.102 323 I CA 0.433 61.774 61.300 0.068 0.000 1.442 323 I CB 0.180 38.225 38.000 0.075 0.000 1.194 323 I HN 0.812 nan 8.210 nan 0.000 0.448 324 E N 0.065 120.291 120.200 0.044 0.000 2.429 324 E HA 0.729 5.093 4.350 0.024 0.000 0.280 324 E C -1.442 175.183 176.600 0.040 0.000 1.068 324 E CA -1.117 55.301 56.400 0.030 0.000 0.837 324 E CB 1.777 31.462 29.700 -0.025 0.000 1.357 324 E HN -0.016 nan 8.360 nan 0.000 0.455 325 A N 0.931 123.798 122.820 0.078 0.000 2.449 325 A HA 0.699 5.034 4.320 0.024 0.000 0.302 325 A C -1.044 176.642 177.584 0.170 0.000 1.048 325 A CA -0.731 51.354 52.037 0.081 0.000 0.708 325 A CB 1.689 20.731 19.000 0.069 0.000 1.274 325 A HN 0.501 nan 8.150 nan 0.000 0.410 326 E N -0.360 119.868 120.200 0.047 0.000 2.378 326 E HA 0.849 5.214 4.350 0.024 0.000 0.265 326 E C -0.545 176.079 176.600 0.040 0.000 0.932 326 E CA -0.531 55.943 56.400 0.123 0.000 0.795 326 E CB 2.412 32.064 29.700 -0.080 0.000 1.296 326 E HN 1.233 nan 8.360 nan 0.000 0.438 327 A N -0.105 122.850 122.820 0.225 0.000 2.586 327 A HA 0.698 5.032 4.320 0.024 0.000 0.291 327 A C -1.157 176.620 177.584 0.323 0.000 1.062 327 A CA -0.412 51.704 52.037 0.131 0.000 0.666 327 A CB 0.693 19.701 19.000 0.013 0.000 1.281 327 A HN 0.854 nan 8.150 nan 0.000 0.421 328 C N -0.510 118.933 119.300 0.238 0.000 3.311 328 C HA 0.814 5.288 4.460 0.024 0.000 0.325 328 C C -1.316 173.777 174.990 0.171 0.000 1.352 328 C CA -0.928 58.239 59.018 0.248 0.000 1.308 328 C CB 1.119 29.030 27.740 0.285 0.000 1.619 328 C HN 0.824 nan 8.230 nan 0.000 0.469 329 D N 1.013 121.500 120.400 0.146 0.000 2.302 329 D HA 0.537 5.191 4.640 0.024 0.000 0.248 329 D C -0.335 176.026 176.300 0.102 0.000 1.094 329 D CA 0.213 54.298 54.000 0.141 0.000 0.897 329 D CB 1.831 42.718 40.800 0.144 0.000 1.200 329 D HN 0.543 nan 8.370 nan 0.000 0.429 330 V N 0.996 120.994 119.914 0.141 0.000 2.604 330 V HA 0.661 4.795 4.120 0.024 0.000 0.305 330 V C 0.555 176.714 176.094 0.109 0.000 1.043 330 V CA -0.836 61.491 62.300 0.045 0.000 0.888 330 V CB 2.091 33.920 31.823 0.011 0.000 0.995 330 V HN 0.612 nan 8.190 nan 0.000 0.429 331 G N 2.921 111.684 108.800 -0.060 0.000 2.487 331 G HA2 0.606 4.580 3.960 0.024 0.000 0.314 331 G HA3 0.606 4.580 3.960 0.024 0.000 0.314 331 G C -1.021 173.943 174.900 0.108 0.000 1.267 331 G CA -0.385 44.759 45.100 0.072 0.000 0.937 331 G HN 0.422 nan 8.290 nan 0.000 0.481 332 F N 4.128 124.267 119.950 0.315 0.000 2.462 332 F HA 0.434 4.975 4.527 0.023 0.000 0.360 332 F C 1.147 177.205 175.800 0.430 0.000 1.134 332 F CA -0.119 58.129 58.000 0.414 0.000 1.148 332 F CB 0.630 39.883 39.000 0.422 0.000 1.147 332 F HN 0.446 nan 8.300 nan 0.000 0.550 333 R N 2.943 123.735 120.500 0.486 0.000 2.629 333 R HA 0.412 4.766 4.340 0.024 0.000 0.266 333 R C -1.844 174.613 176.300 0.262 0.000 1.051 333 R CA -0.789 55.439 56.100 0.213 0.000 0.895 333 R CB 1.582 32.048 30.300 0.277 0.000 1.246 333 R HN 0.582 nan 8.270 nan 0.000 0.459 334 E N 2.137 122.387 120.200 0.083 0.000 2.199 334 E HA 0.490 4.855 4.350 0.024 0.000 0.269 334 E C -1.219 175.450 176.600 0.115 0.000 0.899 334 E CA -0.946 55.586 56.400 0.220 0.000 0.772 334 E CB 2.160 32.062 29.700 0.337 0.000 1.155 334 E HN 0.407 nan 8.360 nan 0.000 0.408 335 V N 5.255 125.234 119.914 0.108 0.000 2.448 335 V HA 0.581 4.715 4.120 0.024 0.000 0.295 335 V C -0.238 175.897 176.094 0.068 0.000 1.025 335 V CA -0.704 61.631 62.300 0.058 0.000 0.859 335 V CB 1.267 33.104 31.823 0.024 0.000 0.988 335 V HN 0.741 nan 8.190 nan 0.000 0.431 336 R N 4.049 124.585 120.500 0.060 0.000 2.710 336 R HA 0.764 5.118 4.340 0.024 0.000 0.270 336 R C -1.973 174.355 176.300 0.046 0.000 1.021 336 R CA -0.943 55.195 56.100 0.064 0.000 0.889 336 R CB 2.042 32.395 30.300 0.088 0.000 1.243 336 R HN 0.510 nan 8.270 nan 0.000 0.464 337 I N 1.179 121.777 120.570 0.046 0.000 2.354 337 I HA 0.352 4.536 4.170 0.024 0.000 0.292 337 I C -0.612 175.528 176.117 0.039 0.000 0.989 337 I CA -0.412 60.909 61.300 0.035 0.000 1.188 337 I CB 1.859 39.881 38.000 0.036 0.000 1.342 337 I HN 0.713 nan 8.210 nan 0.000 0.457 338 E N 5.618 125.836 120.200 0.031 0.000 2.290 338 E HA 0.259 4.624 4.350 0.024 0.000 0.274 338 E C -0.245 176.368 176.600 0.023 0.000 0.889 338 E CA -0.537 55.883 56.400 0.033 0.000 0.760 338 E CB 1.019 30.745 29.700 0.043 0.000 1.206 338 E HN 0.523 nan 8.360 nan 0.000 0.419 339 N N 3.249 121.963 118.700 0.022 0.000 2.725 339 N HA -0.236 4.519 4.740 0.024 0.000 0.249 339 N C 0.451 175.967 175.510 0.010 0.000 1.103 339 N CA 2.163 55.222 53.050 0.016 0.000 0.707 339 N CB -1.166 37.329 38.487 0.014 0.000 1.043 339 N HN 0.998 nan 8.380 nan 0.000 0.553 340 G N -2.263 106.544 108.800 0.011 0.000 2.176 340 G HA2 -0.273 3.702 3.960 0.024 0.000 0.253 340 G HA3 -0.273 3.702 3.960 0.024 0.000 0.253 340 G C -0.132 174.764 174.900 -0.007 0.000 0.979 340 G CA 0.446 45.548 45.100 0.004 0.000 0.641 340 G HN 0.461 nan 8.290 nan 0.000 0.530 341 L N 0.154 121.373 121.223 -0.006 0.000 2.365 341 L HA 0.671 5.025 4.340 0.024 0.000 0.273 341 L C 0.141 177.000 176.870 -0.017 0.000 1.000 341 L CA -1.319 53.509 54.840 -0.020 0.000 0.819 341 L CB 1.876 43.923 42.059 -0.020 0.000 1.284 341 L HN 0.091 nan 8.230 nan 0.000 0.418 342 L N 4.783 125.984 121.223 -0.036 0.000 2.369 342 L HA 0.380 4.734 4.340 0.024 0.000 0.279 342 L C -0.739 176.106 176.870 -0.042 0.000 1.108 342 L CA 0.519 55.337 54.840 -0.036 0.000 0.852 342 L CB 0.116 42.139 42.059 -0.059 0.000 1.169 342 L HN 0.386 nan 8.230 nan 0.000 0.452 343 L N 5.847 127.062 121.223 -0.013 0.000 2.334 343 L HA 0.569 4.924 4.340 0.024 0.000 0.273 343 L C -0.768 176.100 176.870 -0.002 0.000 1.013 343 L CA -0.875 53.963 54.840 -0.004 0.000 0.816 343 L CB 1.898 43.977 42.059 0.034 0.000 1.278 343 L HN 0.541 nan 8.230 nan 0.000 0.431 344 L N 3.195 124.424 121.223 0.010 0.000 2.376 344 L HA 0.493 4.847 4.340 0.024 0.000 0.275 344 L C -0.251 176.617 176.870 -0.003 0.000 0.987 344 L CA -0.082 54.770 54.840 0.020 0.000 0.828 344 L CB 1.106 43.188 42.059 0.037 0.000 1.249 344 L HN 0.605 nan 8.230 nan 0.000 0.409 345 N N 4.046 122.591 118.700 -0.258 0.000 2.721 345 N HA -0.219 4.535 4.740 0.024 0.000 0.249 345 N C 0.911 176.011 175.510 -0.683 0.000 1.072 345 N CA 1.390 53.919 53.050 -0.867 0.000 0.710 345 N CB -1.309 36.624 38.487 -0.923 0.000 0.993 345 N HN 1.196 nan 8.380 nan 0.000 0.547 346 G N -2.084 106.618 108.800 -0.163 0.000 2.184 346 G HA2 -0.355 3.619 3.960 0.024 0.000 0.264 346 G HA3 -0.355 3.619 3.960 0.024 0.000 0.264 346 G C -0.098 174.830 174.900 0.047 0.000 0.975 346 G CA 0.916 46.060 45.100 0.074 0.000 0.642 346 G HN 0.424 nan 8.290 nan 0.000 0.536 347 K N 0.733 121.152 120.400 0.033 0.000 2.259 347 K HA 0.541 4.875 4.320 0.024 0.000 0.252 347 K C -2.792 173.781 176.600 -0.045 0.000 0.936 347 K CA -2.293 53.980 56.287 -0.024 0.000 0.810 347 K CB 2.600 35.019 32.500 -0.136 0.000 1.143 347 K HN 0.085 nan 8.250 nan 0.000 0.427 348 P HA 0.201 nan 4.420 nan 0.000 0.276 348 P C -0.116 177.117 177.300 -0.111 0.000 1.243 348 P CA -0.267 62.786 63.100 -0.078 0.000 0.768 348 P CB 0.618 32.276 31.700 -0.071 0.000 0.856 349 L N 3.365 124.516 121.223 -0.120 0.000 2.453 349 L HA 0.271 4.626 4.340 0.024 0.000 0.261 349 L C 0.713 177.498 176.870 -0.142 0.000 1.179 349 L CA -0.608 54.147 54.840 -0.142 0.000 0.813 349 L CB 0.322 42.253 42.059 -0.214 0.000 1.110 349 L HN 0.291 nan 8.230 nan 0.000 0.466 350 L N 3.647 124.804 121.223 -0.110 0.000 2.388 350 L HA 0.418 4.773 4.340 0.024 0.000 0.267 350 L C -0.520 176.300 176.870 -0.084 0.000 0.995 350 L CA -0.164 54.597 54.840 -0.132 0.000 0.864 350 L CB 0.836 42.846 42.059 -0.083 0.000 1.216 350 L HN 0.248 nan 8.230 nan 0.000 0.430 351 I N 4.895 125.350 120.570 -0.193 0.000 2.436 351 I HA 0.195 4.379 4.170 0.024 0.000 0.289 351 I C 0.533 176.616 176.117 -0.057 0.000 1.083 351 I CA 0.188 61.389 61.300 -0.165 0.000 1.372 351 I CB 0.489 38.262 38.000 -0.380 0.000 1.408 351 I HN 0.585 nan 8.210 nan 0.000 0.516 352 R N 4.815 125.364 120.500 0.082 0.000 2.666 352 R HA 0.442 4.797 4.340 0.024 0.000 0.275 352 R C 0.441 176.868 176.300 0.211 0.000 1.266 352 R CA -0.276 55.920 56.100 0.160 0.000 1.401 352 R CB 0.958 31.171 30.300 -0.145 0.000 1.145 352 R HN 0.784 nan 8.270 nan 0.000 0.581 353 G N 0.176 109.073 108.800 0.163 0.000 2.537 353 G HA2 0.602 4.577 3.960 0.024 0.000 0.323 353 G HA3 0.602 4.577 3.960 0.024 0.000 0.323 353 G C -1.328 173.856 174.900 0.473 0.000 1.207 353 G CA -0.457 44.706 45.100 0.106 0.000 0.976 353 G HN 0.236 nan 8.290 nan 0.000 0.487 354 V N -0.006 120.154 119.914 0.411 0.000 3.012 354 V HA 0.473 4.608 4.120 0.024 0.000 0.307 354 V C -1.197 175.021 176.094 0.206 0.000 1.166 354 V CA -1.203 61.234 62.300 0.229 0.000 0.974 354 V CB 2.228 33.896 31.823 -0.260 0.000 1.040 354 V HN 0.759 nan 8.190 nan 0.000 0.428 355 N N 4.120 122.859 118.700 0.065 0.000 2.518 355 N HA 0.464 5.218 4.740 0.024 0.000 0.283 355 N C -0.753 174.545 175.510 -0.354 0.000 1.119 355 N CA -0.316 52.631 53.050 -0.172 0.000 0.983 355 N CB 1.550 39.861 38.487 -0.293 0.000 1.139 355 N HN 0.648 nan 8.380 nan 0.000 0.465 356 R N 2.123 122.389 120.500 -0.391 0.000 2.502 356 R HA 0.208 4.563 4.340 0.024 0.000 0.298 356 R C -0.902 175.143 176.300 -0.425 0.000 1.018 356 R CA -0.562 55.333 56.100 -0.342 0.000 0.899 356 R CB 0.719 30.806 30.300 -0.355 0.000 1.181 356 R HN 0.585 nan 8.270 nan 0.000 0.444 357 H N 2.178 121.100 119.070 -0.247 0.000 2.607 357 H HA 0.095 4.666 4.556 0.024 0.000 0.367 357 H C -0.453 174.877 175.328 0.004 0.000 1.181 357 H CA 0.241 56.243 56.048 -0.076 0.000 1.402 357 H CB 1.330 31.117 29.762 0.042 0.000 1.474 357 H HN 0.554 nan 8.280 nan 0.000 0.596 358 E N 1.920 122.307 120.200 0.311 0.000 1.963 358 E HA 0.093 4.458 4.350 0.024 0.000 0.274 358 E C -0.720 176.033 176.600 0.255 0.000 1.061 358 E CA -0.040 56.468 56.400 0.180 0.000 0.847 358 E CB 0.249 30.078 29.700 0.215 0.000 1.083 358 E HN 0.393 nan 8.360 nan 0.000 0.402 359 H N 1.819 120.955 119.070 0.109 0.000 2.856 359 H HA 0.247 4.817 4.556 0.024 0.000 0.355 359 H C -1.638 173.749 175.328 0.098 0.000 1.079 359 H CA -0.659 55.449 56.048 0.100 0.000 1.240 359 H CB 1.020 30.833 29.762 0.085 0.000 1.701 359 H HN 0.398 nan 8.280 nan 0.000 0.527 360 H N 6.053 124.737 119.070 -0.643 0.000 2.600 360 H HA 0.238 4.808 4.556 0.024 0.000 0.357 360 H C -2.320 172.642 175.328 -0.609 0.000 1.106 360 H CA -2.500 53.310 56.048 -0.398 0.000 1.193 360 H CB 2.763 32.435 29.762 -0.150 0.000 1.594 360 H HN 0.538 nan 8.280 nan 0.000 0.526 361 P HA -0.044 nan 4.420 nan 0.000 0.226 361 P C 1.141 178.349 177.300 -0.153 0.000 1.153 361 P CA 0.599 63.545 63.100 -0.255 0.000 0.777 361 P CB 0.935 32.519 31.700 -0.192 0.000 0.794 362 L N -1.873 119.394 121.223 0.074 0.000 2.362 362 L HA 0.143 4.498 4.340 0.024 0.000 0.204 362 L C 2.102 178.766 176.870 -0.342 0.000 1.060 362 L CA 0.774 55.502 54.840 -0.186 0.000 0.827 362 L CB -0.504 41.335 42.059 -0.366 0.000 1.027 362 L HN -0.052 nan 8.230 nan 0.000 0.474 363 H N -0.900 118.142 119.070 -0.046 0.000 2.539 363 H HA 0.294 4.864 4.556 0.024 0.000 0.269 363 H C 1.380 176.602 175.328 -0.176 0.000 0.980 363 H CA 0.240 56.166 56.048 -0.204 0.000 1.152 363 H CB 0.350 29.886 29.762 -0.377 0.000 1.407 363 H HN 0.378 nan 8.280 nan 0.000 0.564 364 G N 1.428 110.148 108.800 -0.132 0.000 2.595 364 G HA2 -0.395 3.579 3.960 0.024 0.000 0.297 364 G HA3 -0.395 3.579 3.960 0.024 0.000 0.297 364 G C 0.715 175.531 174.900 -0.140 0.000 1.181 364 G CA 0.415 45.385 45.100 -0.218 0.000 0.963 364 G HN 0.469 nan 8.290 nan 0.000 0.541 365 Q N -0.075 119.671 119.800 -0.090 0.000 2.198 365 Q HA 0.484 4.838 4.340 0.024 0.000 0.209 365 Q C 0.271 176.367 176.000 0.159 0.000 0.848 365 Q CA -0.122 55.672 55.803 -0.015 0.000 0.974 365 Q CB 1.479 30.103 28.738 -0.189 0.000 1.115 365 Q HN 0.359 nan 8.270 nan 0.000 0.494 366 V N 2.181 122.167 119.914 0.120 0.000 2.488 366 V HA 0.180 4.314 4.120 0.024 0.000 0.277 366 V C 0.142 176.286 176.094 0.083 0.000 1.046 366 V CA 0.149 62.522 62.300 0.122 0.000 0.986 366 V CB 0.970 32.795 31.823 0.003 0.000 0.989 366 V HN 0.327 nan 8.190 nan 0.000 0.475 367 M N 5.488 125.143 119.600 0.092 0.000 2.404 367 M HA 0.508 5.002 4.480 0.024 0.000 0.338 367 M C -0.441 175.820 176.300 -0.064 0.000 1.150 367 M CA -0.453 54.858 55.300 0.018 0.000 1.016 367 M CB 1.830 34.409 32.600 -0.035 0.000 1.672 367 M HN 0.809 nan 8.290 nan 0.000 0.448 368 D N 0.404 120.773 120.400 -0.051 0.000 2.477 368 D HA 0.227 4.881 4.640 0.024 0.000 0.234 368 D C 0.105 176.384 176.300 -0.034 0.000 1.048 368 D CA -0.463 53.506 54.000 -0.052 0.000 0.959 368 D CB 1.956 42.746 40.800 -0.017 0.000 1.408 368 D HN 0.720 nan 8.370 nan 0.000 0.496 369 E N -0.375 119.817 120.200 -0.013 0.000 2.110 369 E HA -0.244 4.120 4.350 0.024 0.000 0.193 369 E C 1.429 178.070 176.600 0.069 0.000 0.988 369 E CA 1.283 57.702 56.400 0.030 0.000 0.804 369 E CB 0.207 29.940 29.700 0.056 0.000 0.745 369 E HN 0.245 nan 8.360 nan 0.000 0.458 370 Q N 0.031 119.875 119.800 0.072 0.000 2.124 370 Q HA -0.097 4.257 4.340 0.024 0.000 0.202 370 Q C 2.138 178.200 176.000 0.105 0.000 0.977 370 Q CA 1.907 57.763 55.803 0.089 0.000 0.850 370 Q CB -0.649 28.142 28.738 0.089 0.000 0.901 370 Q HN 0.284 nan 8.270 nan 0.000 0.429 371 T N 0.367 114.992 114.554 0.119 0.000 2.777 371 T HA -0.078 4.287 4.350 0.024 0.000 0.266 371 T C 1.846 176.627 174.700 0.135 0.000 1.040 371 T CA 1.180 63.365 62.100 0.142 0.000 1.141 371 T CB -0.125 68.858 68.868 0.192 0.000 0.868 371 T HN 0.230 nan 8.240 nan 0.000 0.444 372 M N 0.542 120.220 119.600 0.130 0.000 2.086 372 M HA -0.097 4.397 4.480 0.024 0.000 0.261 372 M C 2.449 178.862 176.300 0.188 0.000 1.067 372 M CA 1.321 56.760 55.300 0.232 0.000 1.116 372 M CB -0.562 32.194 32.600 0.260 0.000 1.348 372 M HN 0.099 nan 8.290 nan 0.000 0.407 373 V N 0.228 120.198 119.914 0.093 0.000 2.343 373 V HA -0.310 3.825 4.120 0.024 0.000 0.247 373 V C 2.312 178.390 176.094 -0.027 0.000 1.051 373 V CA 2.084 64.373 62.300 -0.018 0.000 1.036 373 V CB -0.873 30.982 31.823 0.053 0.000 0.654 373 V HN 0.566 nan 8.190 nan 0.000 0.451 374 Q N -0.335 119.502 119.800 0.061 0.000 2.096 374 Q HA -0.276 4.079 4.340 0.024 0.000 0.204 374 Q C 1.974 178.047 176.000 0.123 0.000 0.982 374 Q CA 2.194 58.052 55.803 0.091 0.000 0.850 374 Q CB -0.126 28.683 28.738 0.119 0.000 0.901 374 Q HN 0.624 nan 8.270 nan 0.000 0.422 375 D N 0.299 120.787 120.400 0.146 0.000 2.097 375 D HA -0.136 4.519 4.640 0.024 0.000 0.195 375 D C 1.934 178.182 176.300 -0.086 0.000 0.989 375 D CA 1.123 55.206 54.000 0.139 0.000 0.827 375 D CB -0.239 40.620 40.800 0.098 0.000 0.966 375 D HN 0.335 nan 8.370 nan 0.000 0.456 376 I N 0.642 121.153 120.570 -0.098 0.000 2.163 376 I HA -0.266 3.918 4.170 0.024 0.000 0.243 376 I C 2.452 178.419 176.117 -0.251 0.000 1.085 376 I CA 0.770 61.903 61.300 -0.279 0.000 1.347 376 I CB -0.159 37.543 38.000 -0.497 0.000 1.044 376 I HN 0.018 nan 8.210 nan 0.000 0.408 377 L N -0.037 121.074 121.223 -0.187 0.000 2.017 377 L HA -0.231 4.123 4.340 0.024 0.000 0.208 377 L C 2.560 179.490 176.870 0.100 0.000 1.073 377 L CA 1.423 56.242 54.840 -0.035 0.000 0.745 377 L CB -0.507 41.554 42.059 0.004 0.000 0.894 377 L HN 0.284 nan 8.230 nan 0.000 0.432 378 L N -1.053 120.257 121.223 0.146 0.000 2.083 378 L HA -0.248 4.107 4.340 0.024 0.000 0.209 378 L C 2.664 179.705 176.870 0.285 0.000 1.083 378 L CA 1.235 56.249 54.840 0.290 0.000 0.752 378 L CB -0.254 42.097 42.059 0.486 0.000 0.899 378 L HN 0.309 nan 8.230 nan 0.000 0.433 379 M N -0.655 118.932 119.600 -0.022 0.000 2.067 379 M HA -0.255 4.239 4.480 0.024 0.000 0.260 379 M C 2.314 178.716 176.300 0.169 0.000 1.069 379 M CA 1.885 57.113 55.300 -0.119 0.000 1.117 379 M CB -0.311 31.976 32.600 -0.522 0.000 1.334 379 M HN 0.066 nan 8.290 nan 0.000 0.407 380 K N -0.052 120.353 120.400 0.008 0.000 2.063 380 K HA -0.215 4.120 4.320 0.024 0.000 0.208 380 K C 1.959 178.589 176.600 0.050 0.000 1.048 380 K CA 1.506 57.712 56.287 -0.135 0.000 0.928 380 K CB -0.275 32.009 32.500 -0.360 0.000 0.713 380 K HN 0.477 nan 8.250 nan 0.000 0.442 381 Q N 0.271 120.257 119.800 0.309 0.000 2.291 381 Q HA -0.056 4.298 4.340 0.024 0.000 0.206 381 Q C 0.885 177.200 176.000 0.525 0.000 0.976 381 Q CA 0.763 56.847 55.803 0.468 0.000 0.875 381 Q CB 0.102 29.077 28.738 0.396 0.000 0.927 381 Q HN 0.287 nan 8.270 nan 0.000 0.450 382 N N 0.672 119.628 118.700 0.426 0.000 2.279 382 N HA 0.041 4.795 4.740 0.024 0.000 0.226 382 N C -0.610 175.003 175.510 0.173 0.000 1.126 382 N CA 0.033 53.321 53.050 0.396 0.000 0.846 382 N CB 0.628 39.430 38.487 0.524 0.000 1.050 382 N HN 0.165 nan 8.380 nan 0.000 0.502 383 N N 0.158 118.977 118.700 0.199 0.000 2.741 383 N HA -0.189 4.565 4.740 0.024 0.000 0.250 383 N C -0.864 174.564 175.510 -0.137 0.000 1.115 383 N CA 0.808 53.929 53.050 0.119 0.000 0.724 383 N CB -1.773 36.714 38.487 0.000 0.000 1.090 383 N HN 0.257 nan 8.380 nan 0.000 0.558 384 F N 1.023 121.001 119.950 0.047 0.000 2.384 384 F HA 0.310 4.851 4.527 0.023 0.000 0.338 384 F C 1.718 177.516 175.800 -0.003 0.000 1.103 384 F CA -0.589 57.416 58.000 0.009 0.000 1.157 384 F CB 0.847 39.824 39.000 -0.038 0.000 1.167 384 F HN 0.044 nan 8.300 nan 0.000 0.529 385 N N 0.673 119.490 118.700 0.196 0.000 2.160 385 N HA 0.468 5.222 4.740 0.024 0.000 0.226 385 N C -0.885 174.682 175.510 0.095 0.000 1.256 385 N CA -0.072 53.024 53.050 0.077 0.000 0.890 385 N CB 0.799 39.375 38.487 0.149 0.000 1.116 385 N HN 0.483 nan 8.380 nan 0.000 0.517 386 A N -0.627 122.312 122.820 0.198 0.000 2.604 386 A HA 0.747 5.081 4.320 0.024 0.000 0.295 386 A C -1.809 175.988 177.584 0.356 0.000 1.067 386 A CA -0.698 51.517 52.037 0.297 0.000 0.683 386 A CB 1.692 20.879 19.000 0.312 0.000 1.281 386 A HN 0.244 nan 8.150 nan 0.000 0.407 387 V N 1.088 121.265 119.914 0.438 0.000 2.841 387 V HA 0.825 4.959 4.120 0.024 0.000 0.310 387 V C -0.613 175.638 176.094 0.261 0.000 1.090 387 V CA -0.712 61.804 62.300 0.361 0.000 0.930 387 V CB 1.884 33.843 31.823 0.227 0.000 1.014 387 V HN 1.150 nan 8.190 nan 0.000 0.425 388 R N 4.805 125.299 120.500 -0.009 0.000 2.393 388 R HA 0.492 4.846 4.340 0.024 0.000 0.310 388 R C -0.756 175.408 176.300 -0.226 0.000 0.968 388 R CA -0.474 55.424 56.100 -0.337 0.000 0.867 388 R CB 1.199 31.065 30.300 -0.722 0.000 1.124 388 R HN 0.809 nan 8.270 nan 0.000 0.450 389 C N 4.431 123.629 119.300 -0.170 0.000 3.183 389 C HA 0.111 4.585 4.460 0.024 0.000 0.545 389 C C 0.489 175.204 174.990 -0.459 0.000 1.044 389 C CA -0.417 58.453 59.018 -0.248 0.000 1.117 389 C CB -2.115 25.600 27.740 -0.042 0.000 1.393 389 C HN 0.722 nan 8.230 nan 0.000 0.611 390 S N 1.573 116.873 115.700 -0.666 0.000 2.481 390 S HA 0.163 4.647 4.470 0.024 0.000 0.282 390 S C -0.157 173.584 174.600 -1.432 0.000 1.243 390 S CA 0.164 57.717 58.200 -1.079 0.000 1.078 390 S CB 0.111 62.629 63.200 -1.136 0.000 0.916 390 S HN 0.732 nan 8.310 nan 0.000 0.495 391 H N 3.768 122.275 119.070 -0.939 0.000 2.439 391 H HA 0.333 4.904 4.556 0.023 0.000 0.228 391 H C -1.175 174.033 175.328 -0.199 0.000 1.423 391 H CA -0.355 55.499 56.048 -0.323 0.000 1.386 391 H CB -0.085 29.686 29.762 0.015 0.000 1.641 391 H HN 0.892 nan 8.280 nan 0.000 0.508 392 Y N -2.561 117.852 120.300 0.188 0.000 2.765 392 Y HA 0.368 4.933 4.550 0.024 0.000 0.350 392 Y C -3.339 172.675 175.900 0.190 0.000 1.196 392 Y CA -2.964 55.254 58.100 0.196 0.000 1.119 392 Y CB 0.010 38.590 38.460 0.201 0.000 1.368 392 Y HN -0.044 nan 8.280 nan 0.000 0.463 393 P HA 0.164 nan 4.420 nan 0.000 0.268 393 P C -0.628 176.965 177.300 0.488 0.000 1.205 393 P CA 0.120 63.474 63.100 0.423 0.000 0.771 393 P CB 0.567 32.447 31.700 0.300 0.000 0.858 394 N N 0.590 119.598 118.700 0.513 0.000 2.458 394 N HA 0.086 4.841 4.740 0.024 0.000 0.271 394 N C 0.131 175.892 175.510 0.419 0.000 1.210 394 N CA -0.582 52.687 53.050 0.364 0.000 0.978 394 N CB 0.345 38.848 38.487 0.028 0.000 1.206 394 N HN 0.603 nan 8.380 nan 0.000 0.536 395 H N 2.250 121.427 119.070 0.179 0.000 3.115 395 H HA -0.025 4.545 4.556 0.023 0.000 0.324 395 H C -1.604 173.892 175.328 0.280 0.000 1.007 395 H CA -0.590 55.548 56.048 0.151 0.000 1.385 395 H CB 0.937 30.753 29.762 0.091 0.000 1.351 395 H HN 0.440 nan 8.280 nan 0.000 0.592 396 P HA -0.196 nan 4.420 nan 0.000 0.218 396 P C 1.804 179.423 177.300 0.533 0.000 1.148 396 P CA 0.721 64.081 63.100 0.433 0.000 0.822 396 P CB 0.210 32.017 31.700 0.178 0.000 0.784 397 L N -1.168 120.452 121.223 0.662 0.000 2.275 397 L HA -0.011 4.343 4.340 0.024 0.000 0.215 397 L C 2.373 179.404 176.870 0.268 0.000 1.119 397 L CA 1.245 56.313 54.840 0.380 0.000 0.790 397 L CB -1.355 40.859 42.059 0.258 0.000 0.919 397 L HN 0.009 nan 8.230 nan 0.000 0.443 398 W N -0.531 120.787 121.300 0.029 0.000 2.321 398 W HA -0.340 4.334 4.660 0.023 0.000 0.306 398 W C 1.988 178.344 176.519 -0.272 0.000 1.217 398 W CA 1.838 59.070 57.345 -0.189 0.000 1.257 398 W CB -0.309 28.939 29.460 -0.352 0.000 1.145 398 W HN 0.265 nan 8.180 nan 0.000 0.509 399 Y N 0.629 120.861 120.300 -0.114 0.000 2.242 399 Y HA -0.210 4.354 4.550 0.023 0.000 0.291 399 Y C 2.861 178.519 175.900 -0.402 0.000 1.137 399 Y CA 2.112 59.926 58.100 -0.477 0.000 1.181 399 Y CB -1.247 36.595 38.460 -1.030 0.000 0.989 399 Y HN -0.224 nan 8.280 nan 0.000 0.527 400 T N 0.718 115.259 114.554 -0.020 0.000 2.684 400 T HA -0.184 4.180 4.350 0.024 0.000 0.267 400 T C 1.997 176.726 174.700 0.047 0.000 1.036 400 T CA 1.529 63.701 62.100 0.121 0.000 1.148 400 T CB -0.563 68.431 68.868 0.210 0.000 0.863 400 T HN 0.236 nan 8.240 nan 0.000 0.436 401 L N 0.265 121.476 121.223 -0.020 0.000 2.093 401 L HA -0.099 4.255 4.340 0.024 0.000 0.208 401 L C 2.886 179.729 176.870 -0.045 0.000 1.085 401 L CA 0.909 55.762 54.840 0.021 0.000 0.755 401 L CB -0.691 41.352 42.059 -0.027 0.000 0.904 401 L HN 0.391 nan 8.230 nan 0.000 0.435 402 C N -0.237 118.875 119.300 -0.314 0.000 2.440 402 C HA -0.132 4.342 4.460 0.024 0.000 0.278 402 C C 2.410 177.440 174.990 0.067 0.000 1.295 402 C CA 0.356 59.227 59.018 -0.245 0.000 1.738 402 C CB -0.760 26.728 27.740 -0.421 0.000 1.987 402 C HN 0.537 nan 8.230 nan 0.000 0.492 403 D N 0.450 120.894 120.400 0.074 0.000 2.117 403 D HA -0.101 4.553 4.640 0.024 0.000 0.197 403 D C 2.396 178.896 176.300 0.333 0.000 0.987 403 D CA 1.217 55.339 54.000 0.204 0.000 0.829 403 D CB -0.332 40.550 40.800 0.137 0.000 0.961 403 D HN 0.532 nan 8.370 nan 0.000 0.460 404 R N -1.165 119.427 120.500 0.154 0.000 2.112 404 R HA 0.047 4.401 4.340 0.024 0.000 0.216 404 R C 2.024 178.286 176.300 -0.064 0.000 1.080 404 R CA 0.378 56.504 56.100 0.043 0.000 0.996 404 R CB -0.047 30.206 30.300 -0.078 0.000 0.902 404 R HN 0.265 nan 8.270 nan 0.000 0.449 405 Y N -0.019 120.293 120.300 0.020 0.000 2.448 405 Y HA 0.166 4.730 4.550 0.023 0.000 0.289 405 Y C 0.966 176.800 175.900 -0.110 0.000 1.114 405 Y CA 0.789 58.874 58.100 -0.025 0.000 1.235 405 Y CB 0.729 39.145 38.460 -0.073 0.000 1.045 405 Y HN 0.213 nan 8.280 nan 0.000 0.554 406 G N 1.222 110.057 108.800 0.058 0.000 2.897 406 G HA2 -0.140 3.835 3.960 0.024 0.000 0.436 406 G HA3 -0.140 3.835 3.960 0.024 0.000 0.436 406 G C -1.211 173.546 174.900 -0.239 0.000 1.079 406 G CA -0.576 44.439 45.100 -0.141 0.000 1.090 406 G HN 0.155 nan 8.290 nan 0.000 0.480 407 L N 1.184 122.336 121.223 -0.119 0.000 2.455 407 L HA 0.493 4.847 4.340 0.024 0.000 0.264 407 L C -0.047 176.826 176.870 0.005 0.000 0.968 407 L CA -1.273 53.459 54.840 -0.180 0.000 0.827 407 L CB 2.074 44.048 42.059 -0.140 0.000 1.317 407 L HN 0.495 nan 8.230 nan 0.000 0.407 408 Y N 1.786 122.217 120.300 0.219 0.000 2.359 408 Y HA 0.400 4.965 4.550 0.026 0.000 0.330 408 Y C 0.185 176.216 175.900 0.219 0.000 1.143 408 Y CA -0.705 57.558 58.100 0.272 0.000 1.318 408 Y CB 1.393 39.990 38.460 0.229 0.000 1.234 408 Y HN 0.156 nan 8.280 nan 0.000 0.522 409 V N 4.213 124.317 119.914 0.317 0.000 2.604 409 V HA 0.312 4.446 4.120 0.024 0.000 0.305 409 V C -0.625 175.554 176.094 0.142 0.000 1.043 409 V CA -1.018 61.409 62.300 0.212 0.000 0.888 409 V CB 1.997 33.904 31.823 0.141 0.000 0.995 409 V HN 0.449 nan 8.190 nan 0.000 0.429 410 V N 3.178 123.143 119.914 0.085 0.000 2.333 410 V HA 0.320 4.455 4.120 0.024 0.000 0.274 410 V C -0.314 175.816 176.094 0.061 0.000 1.028 410 V CA -0.337 61.962 62.300 -0.002 0.000 0.851 410 V CB 1.414 33.125 31.823 -0.187 0.000 1.000 410 V HN 0.891 nan 8.190 nan 0.000 0.456 411 D N 4.238 124.714 120.400 0.127 0.000 2.249 411 D HA 0.316 4.971 4.640 0.024 0.000 0.246 411 D C -0.243 176.253 176.300 0.326 0.000 1.114 411 D CA -0.092 54.083 54.000 0.291 0.000 0.854 411 D CB 1.269 42.277 40.800 0.347 0.000 1.132 411 D HN 0.682 nan 8.370 nan 0.000 0.461 412 E N 2.066 122.424 120.200 0.262 0.000 2.199 412 E HA 0.614 4.979 4.350 0.024 0.000 0.265 412 E C -0.999 175.745 176.600 0.240 0.000 0.882 412 E CA -1.048 55.493 56.400 0.235 0.000 0.759 412 E CB 1.315 31.108 29.700 0.155 0.000 1.148 412 E HN 0.471 nan 8.360 nan 0.000 0.412 413 A N 3.932 126.885 122.820 0.222 0.000 2.483 413 A HA 0.042 4.376 4.320 0.024 0.000 0.238 413 A C 0.338 178.051 177.584 0.215 0.000 1.070 413 A CA -0.179 51.967 52.037 0.182 0.000 0.770 413 A CB 0.122 19.194 19.000 0.120 0.000 1.008 413 A HN 0.710 nan 8.150 nan 0.000 0.497 414 N N 1.282 120.116 118.700 0.224 0.000 3.050 414 N HA 0.255 5.009 4.740 0.024 0.000 0.289 414 N C -1.036 174.607 175.510 0.221 0.000 1.209 414 N CA 0.237 53.454 53.050 0.279 0.000 1.154 414 N CB -0.827 37.825 38.487 0.274 0.000 1.444 414 N HN 0.474 nan 8.380 nan 0.000 0.529 415 I N 1.056 121.750 120.570 0.206 0.000 2.497 415 I HA 0.270 4.454 4.170 0.024 0.000 0.284 415 I C -0.595 175.625 176.117 0.171 0.000 1.060 415 I CA -0.611 60.792 61.300 0.171 0.000 1.071 415 I CB 1.754 39.827 38.000 0.122 0.000 1.216 415 I HN 0.261 nan 8.210 nan 0.000 0.442 416 E N 4.367 124.663 120.200 0.160 0.000 2.287 416 E HA 0.368 4.732 4.350 0.024 0.000 0.274 416 E C -0.651 176.012 176.600 0.105 0.000 0.896 416 E CA -0.472 55.991 56.400 0.106 0.000 0.788 416 E CB 1.601 31.343 29.700 0.070 0.000 1.244 416 E HN 0.591 nan 8.360 nan 0.000 0.408 417 T N 0.661 115.270 114.554 0.092 0.000 3.448 417 T HA 0.162 4.526 4.350 0.024 0.000 0.271 417 T C 0.846 175.596 174.700 0.083 0.000 1.002 417 T CA -0.359 61.824 62.100 0.138 0.000 0.995 417 T CB -0.273 68.661 68.868 0.109 0.000 1.153 417 T HN 0.666 nan 8.240 nan 0.000 0.510 418 H N 1.131 120.114 119.070 -0.145 0.000 2.390 418 H HA -0.054 4.516 4.556 0.025 0.000 0.298 418 H C 2.302 177.511 175.328 -0.200 0.000 1.106 418 H CA 1.309 57.246 56.048 -0.184 0.000 1.297 418 H CB -0.176 29.436 29.762 -0.250 0.000 1.375 418 H HN 0.589 nan 8.280 nan 0.000 0.509 419 G N 0.208 108.871 108.800 -0.228 0.000 2.679 419 G HA2 -0.059 3.915 3.960 0.024 0.000 0.212 419 G HA3 -0.059 3.915 3.960 0.024 0.000 0.212 419 G C 0.507 175.521 174.900 0.189 0.000 1.137 419 G CA -0.085 44.895 45.100 -0.200 0.000 0.787 419 G HN 0.150 nan 8.290 nan 0.000 0.534 420 M N 0.276 120.031 119.600 0.258 0.000 2.202 420 M HA 0.360 4.854 4.480 0.024 0.000 0.316 420 M C -0.410 175.925 176.300 0.058 0.000 1.138 420 M CA -0.432 54.965 55.300 0.163 0.000 1.151 420 M CB 1.433 34.081 32.600 0.081 0.000 1.422 420 M HN -0.219 nan 8.290 nan 0.000 0.471 421 V N 3.769 123.695 119.914 0.020 0.000 2.482 421 V HA 0.377 4.511 4.120 0.024 0.000 0.295 421 V C -1.944 174.141 176.094 -0.015 0.000 1.026 421 V CA -1.251 61.047 62.300 -0.004 0.000 0.856 421 V CB 1.802 33.617 31.823 -0.013 0.000 1.001 421 V HN 0.739 nan 8.190 nan 0.000 0.424 422 P HA 0.273 nan 4.420 nan 0.000 0.279 422 P C 1.013 178.314 177.300 0.003 0.000 1.282 422 P CA -0.568 62.527 63.100 -0.008 0.000 0.788 422 P CB 1.068 32.764 31.700 -0.006 0.000 1.139 423 M N 0.554 120.162 119.600 0.013 0.000 2.202 423 M HA -0.175 4.319 4.480 0.024 0.000 0.262 423 M C 1.164 177.486 176.300 0.038 0.000 1.063 423 M CA 1.872 57.191 55.300 0.031 0.000 1.097 423 M CB -0.470 32.141 32.600 0.018 0.000 1.382 423 M HN 0.378 nan 8.290 nan 0.000 0.413 424 N N -0.146 118.575 118.700 0.035 0.000 2.276 424 N HA -0.061 4.693 4.740 0.024 0.000 0.212 424 N C 1.099 176.591 175.510 -0.030 0.000 1.127 424 N CA 0.105 53.177 53.050 0.037 0.000 0.834 424 N CB -0.714 37.812 38.487 0.065 0.000 1.014 424 N HN 0.364 nan 8.380 nan 0.000 0.491 425 R N 0.440 120.908 120.500 -0.054 0.000 2.103 425 R HA -0.013 4.342 4.340 0.024 0.000 0.242 425 R C 1.363 177.565 176.300 -0.163 0.000 1.142 425 R CA 1.347 57.393 56.100 -0.091 0.000 0.960 425 R CB -0.048 30.195 30.300 -0.094 0.000 0.858 425 R HN 0.294 nan 8.270 nan 0.000 0.439 426 L N -0.542 120.524 121.223 -0.261 0.000 2.202 426 L HA 0.006 4.361 4.340 0.024 0.000 0.205 426 L C 2.422 179.160 176.870 -0.221 0.000 1.083 426 L CA 1.282 55.844 54.840 -0.462 0.000 0.790 426 L CB -0.446 41.089 42.059 -0.873 0.000 0.942 426 L HN 0.356 nan 8.230 nan 0.000 0.452 427 T N -4.571 109.888 114.554 -0.158 0.000 3.072 427 T HA -0.129 4.235 4.350 0.024 0.000 0.266 427 T C 1.225 175.837 174.700 -0.146 0.000 1.127 427 T CA 0.948 62.938 62.100 -0.183 0.000 1.107 427 T CB -0.159 68.557 68.868 -0.254 0.000 0.910 427 T HN 0.082 nan 8.240 nan 0.000 0.513 428 D N 1.144 121.493 120.400 -0.087 0.000 2.349 428 D HA 0.117 4.771 4.640 0.024 0.000 0.214 428 D C -0.288 175.994 176.300 -0.030 0.000 1.063 428 D CA -0.214 53.746 54.000 -0.067 0.000 0.847 428 D CB -0.023 40.746 40.800 -0.051 0.000 0.933 428 D HN 0.344 nan 8.370 nan 0.000 0.513 429 D N -0.191 120.208 120.400 -0.000 0.000 2.280 429 D HA 0.140 4.794 4.640 0.024 0.000 0.236 429 D C -1.719 174.633 176.300 0.088 0.000 1.082 429 D CA -2.185 51.852 54.000 0.060 0.000 0.834 429 D CB 2.199 43.077 40.800 0.131 0.000 1.100 429 D HN -0.059 nan 8.370 nan 0.000 0.486 430 P HA -0.074 nan 4.420 nan 0.000 0.222 430 P C 0.874 178.177 177.300 0.005 0.000 1.147 430 P CA 0.659 63.769 63.100 0.017 0.000 0.790 430 P CB 0.324 32.022 31.700 -0.003 0.000 0.780 431 R N -1.773 118.737 120.500 0.018 0.000 2.285 431 R HA -0.058 4.296 4.340 0.024 0.000 0.213 431 R C 1.340 177.503 176.300 -0.228 0.000 1.068 431 R CA 0.975 57.016 56.100 -0.097 0.000 1.004 431 R CB -0.539 29.684 30.300 -0.128 0.000 0.873 431 R HN 0.313 nan 8.270 nan 0.000 0.467 432 W N -0.204 121.044 121.300 -0.087 0.000 3.220 432 W HA 0.165 4.839 4.660 0.023 0.000 0.328 432 W C 1.383 177.845 176.519 -0.095 0.000 1.205 432 W CA -0.554 56.739 57.345 -0.087 0.000 1.773 432 W CB 0.129 29.537 29.460 -0.088 0.000 1.086 432 W HN 0.011 nan 8.180 nan 0.000 0.622 433 L N 2.138 123.382 121.223 0.036 0.000 2.046 433 L HA -0.016 4.338 4.340 0.024 0.000 0.208 433 L C -0.720 176.113 176.870 -0.062 0.000 1.077 433 L CA 2.219 57.047 54.840 -0.021 0.000 0.747 433 L CB -1.606 40.432 42.059 -0.035 0.000 0.896 433 L HN -0.239 nan 8.230 nan 0.000 0.432 434 P HA -0.143 nan 4.420 nan 0.000 0.214 434 P C 1.654 178.895 177.300 -0.098 0.000 1.163 434 P CA 2.195 65.229 63.100 -0.109 0.000 0.883 434 P CB -0.244 31.382 31.700 -0.124 0.000 0.788 435 A N -0.922 121.848 122.820 -0.082 0.000 1.908 435 A HA -0.220 4.114 4.320 0.024 0.000 0.218 435 A C 2.263 179.856 177.584 0.015 0.000 1.181 435 A CA 2.157 54.179 52.037 -0.025 0.000 0.627 435 A CB -1.552 17.449 19.000 0.002 0.000 0.818 435 A HN 0.109 nan 8.150 nan 0.000 0.445 436 M N 0.198 119.819 119.600 0.035 0.000 2.175 436 M HA -0.146 4.348 4.480 0.024 0.000 0.264 436 M C 2.551 178.800 176.300 -0.086 0.000 1.063 436 M CA 1.708 57.008 55.300 0.000 0.000 1.119 436 M CB -0.363 32.220 32.600 -0.029 0.000 1.377 436 M HN 0.682 nan 8.290 nan 0.000 0.415 437 S N 0.464 116.085 115.700 -0.131 0.000 2.370 437 S HA -0.196 4.289 4.470 0.024 0.000 0.226 437 S C 1.584 176.019 174.600 -0.276 0.000 1.033 437 S CA 1.539 59.596 58.200 -0.239 0.000 1.011 437 S CB -0.658 62.378 63.200 -0.273 0.000 0.852 437 S HN 0.534 nan 8.310 nan 0.000 0.457 438 E N 0.977 121.060 120.200 -0.196 0.000 2.204 438 E HA -0.090 4.274 4.350 0.024 0.000 0.195 438 E C 2.375 178.886 176.600 -0.148 0.000 0.990 438 E CA 0.878 57.167 56.400 -0.184 0.000 0.821 438 E CB -0.150 29.480 29.700 -0.116 0.000 0.750 438 E HN 0.585 nan 8.360 nan 0.000 0.477 439 R N 0.015 120.459 120.500 -0.093 0.000 2.148 439 R HA -0.038 4.316 4.340 0.024 0.000 0.223 439 R C 2.179 178.440 176.300 -0.066 0.000 1.088 439 R CA 0.525 56.603 56.100 -0.036 0.000 0.985 439 R CB 0.166 30.485 30.300 0.032 0.000 0.880 439 R HN 0.016 nan 8.270 nan 0.000 0.451 440 V N 0.076 119.903 119.914 -0.144 0.000 2.374 440 V HA -0.164 3.971 4.120 0.024 0.000 0.241 440 V C 2.456 178.358 176.094 -0.320 0.000 1.034 440 V CA 2.088 64.278 62.300 -0.182 0.000 1.037 440 V CB -0.144 31.564 31.823 -0.191 0.000 0.682 440 V HN 0.490 nan 8.190 nan 0.000 0.463 441 T N -0.587 113.651 114.554 -0.528 0.000 2.746 441 T HA -0.242 4.123 4.350 0.024 0.000 0.267 441 T C 1.927 176.442 174.700 -0.308 0.000 1.039 441 T CA 1.426 63.106 62.100 -0.701 0.000 1.142 441 T CB -0.429 67.841 68.868 -0.998 0.000 0.866 441 T HN 0.400 nan 8.240 nan 0.000 0.444 442 R N 0.336 120.691 120.500 -0.242 0.000 2.148 442 R HA 0.183 4.537 4.340 0.024 0.000 0.227 442 R C 2.620 178.836 176.300 -0.139 0.000 1.103 442 R CA 1.387 57.387 56.100 -0.166 0.000 0.983 442 R CB -0.476 29.737 30.300 -0.145 0.000 0.874 442 R HN 0.501 nan 8.270 nan 0.000 0.451 443 M N 0.485 120.011 119.600 -0.122 0.000 2.123 443 M HA -0.116 4.378 4.480 0.024 0.000 0.263 443 M C 1.823 178.053 176.300 -0.117 0.000 1.069 443 M CA 1.559 56.822 55.300 -0.061 0.000 1.133 443 M CB 0.146 32.749 32.600 0.006 0.000 1.356 443 M HN -0.028 nan 8.290 nan 0.000 0.415 444 V N 1.145 120.880 119.914 -0.299 0.000 2.343 444 V HA -0.292 3.843 4.120 0.024 0.000 0.247 444 V C 2.285 178.270 176.094 -0.182 0.000 1.051 444 V CA 2.028 64.029 62.300 -0.499 0.000 1.036 444 V CB -0.955 30.539 31.823 -0.549 0.000 0.654 444 V HN 0.591 nan 8.190 nan 0.000 0.451 445 Q N -0.695 119.031 119.800 -0.124 0.000 2.170 445 Q HA -0.221 4.133 4.340 0.024 0.000 0.203 445 Q C 2.463 178.374 176.000 -0.147 0.000 0.976 445 Q CA 1.486 57.224 55.803 -0.108 0.000 0.858 445 Q CB -0.166 28.523 28.738 -0.081 0.000 0.907 445 Q HN 0.534 nan 8.270 nan 0.000 0.433 446 R N 0.265 120.673 120.500 -0.153 0.000 2.080 446 R HA -0.081 4.274 4.340 0.024 0.000 0.222 446 R C 0.468 176.695 176.300 -0.123 0.000 1.107 446 R CA 1.228 57.215 56.100 -0.187 0.000 0.980 446 R CB 0.454 30.645 30.300 -0.181 0.000 0.879 446 R HN 0.132 nan 8.270 nan 0.000 0.439 447 D N -0.342 120.049 120.400 -0.015 0.000 2.433 447 D HA 0.010 4.665 4.640 0.024 0.000 0.211 447 D C 1.169 177.571 176.300 0.169 0.000 1.114 447 D CA 0.059 54.094 54.000 0.058 0.000 0.837 447 D CB 0.351 41.138 40.800 -0.022 0.000 0.984 447 D HN 0.347 nan 8.370 nan 0.000 0.505 448 R N 0.473 121.085 120.500 0.187 0.000 2.293 448 R HA 0.023 4.377 4.340 0.024 0.000 0.219 448 R C 0.713 177.021 176.300 0.013 0.000 1.091 448 R CA 0.806 57.044 56.100 0.228 0.000 1.004 448 R CB -0.257 30.114 30.300 0.119 0.000 0.865 448 R HN -0.098 nan 8.270 nan 0.000 0.469 449 N N 0.310 118.941 118.700 -0.114 0.000 2.336 449 N HA -0.000 4.754 4.740 0.024 0.000 0.189 449 N C -0.522 174.856 175.510 -0.220 0.000 1.113 449 N CA 0.266 53.218 53.050 -0.164 0.000 0.858 449 N CB 0.099 38.473 38.487 -0.189 0.000 0.970 449 N HN 0.280 nan 8.380 nan 0.000 0.471 450 H N 1.338 120.355 119.070 -0.089 0.000 2.668 450 H HA 0.109 4.679 4.556 0.023 0.000 0.303 450 H C -1.183 174.000 175.328 -0.241 0.000 1.074 450 H CA -1.357 54.620 56.048 -0.119 0.000 1.406 450 H CB 1.555 31.282 29.762 -0.060 0.000 1.442 450 H HN 0.059 nan 8.280 nan 0.000 0.482 451 P HA -0.155 nan 4.420 nan 0.000 0.218 451 P C 1.372 178.197 177.300 -0.792 0.000 1.149 451 P CA 1.130 63.870 63.100 -0.600 0.000 0.817 451 P CB 0.294 31.415 31.700 -0.965 0.000 0.785 452 S N -0.772 114.575 115.700 -0.588 0.000 2.419 452 S HA -0.041 4.443 4.470 0.024 0.000 0.233 452 S C 1.134 175.708 174.600 -0.044 0.000 1.016 452 S CA 0.341 58.373 58.200 -0.281 0.000 0.974 452 S CB -1.492 61.702 63.200 -0.010 0.000 0.786 452 S HN -0.052 nan 8.310 nan 0.000 0.492 453 V N 3.578 123.440 119.914 -0.086 0.000 2.439 453 V HA 0.231 4.366 4.120 0.024 0.000 0.271 453 V C 1.100 177.064 176.094 -0.217 0.000 1.040 453 V CA 0.020 62.236 62.300 -0.138 0.000 1.002 453 V CB 0.447 32.101 31.823 -0.282 0.000 1.000 453 V HN 0.635 nan 8.190 nan 0.000 0.477 454 I N 2.764 123.259 120.570 -0.125 0.000 4.187 454 I HA 0.514 4.698 4.170 0.024 0.000 0.326 454 I C 0.378 176.387 176.117 -0.180 0.000 1.302 454 I CA 0.525 61.761 61.300 -0.106 0.000 1.196 454 I CB 0.531 38.554 38.000 0.039 0.000 1.095 454 I HN 0.324 nan 8.210 nan 0.000 0.411 455 I N 0.172 120.612 120.570 -0.217 0.000 2.722 455 I HA 0.358 4.543 4.170 0.024 0.000 0.295 455 I C -1.552 174.456 176.117 -0.182 0.000 1.161 455 I CA -0.420 60.790 61.300 -0.149 0.000 1.032 455 I CB 2.154 40.159 38.000 0.009 0.000 1.244 455 I HN 0.031 nan 8.210 nan 0.000 0.421 456 W N 3.736 125.087 121.300 0.086 0.000 2.449 456 W HA 0.626 5.298 4.660 0.020 0.000 0.331 456 W C 0.377 176.963 176.519 0.113 0.000 1.119 456 W CA -0.591 56.811 57.345 0.095 0.000 1.240 456 W CB 1.681 31.193 29.460 0.086 0.000 1.251 456 W HN 0.305 nan 8.180 nan 0.000 0.576 457 S N 2.398 118.338 115.700 0.399 0.000 2.521 457 S HA 0.394 4.878 4.470 0.024 0.000 0.295 457 S C 0.147 174.920 174.600 0.288 0.000 1.098 457 S CA -0.716 57.665 58.200 0.302 0.000 0.999 457 S CB 0.809 64.141 63.200 0.220 0.000 1.034 457 S HN 0.565 nan 8.310 nan 0.000 0.483 458 L N 4.170 125.557 121.223 0.274 0.000 2.650 458 L HA 0.344 4.698 4.340 0.024 0.000 0.235 458 L C 1.445 178.383 176.870 0.113 0.000 1.149 458 L CA 0.521 55.440 54.840 0.131 0.000 0.887 458 L CB -1.260 40.779 42.059 -0.032 0.000 1.021 458 L HN 1.011 nan 8.230 nan 0.000 0.441 459 G N 0.064 109.015 108.800 0.251 0.000 2.295 459 G HA2 -0.151 3.823 3.960 0.024 0.000 0.195 459 G HA3 -0.151 3.823 3.960 0.024 0.000 0.195 459 G C -1.495 173.604 174.900 0.330 0.000 1.269 459 G CA -0.420 44.835 45.100 0.258 0.000 1.170 459 G HN 0.217 nan 8.290 nan 0.000 0.511 460 N N 0.156 118.995 118.700 0.233 0.000 2.405 460 N HA 0.465 5.219 4.740 0.024 0.000 0.274 460 N C -0.497 174.972 175.510 -0.068 0.000 1.170 460 N CA 0.190 53.239 53.050 -0.002 0.000 0.848 460 N CB 1.559 39.761 38.487 -0.475 0.000 1.629 460 N HN 0.912 nan 8.380 nan 0.000 0.481 461 E N 0.548 120.615 120.200 -0.221 0.000 2.149 461 E HA -0.178 4.187 4.350 0.024 0.000 0.191 461 E C -0.814 175.706 176.600 -0.134 0.000 1.384 461 E CA 0.813 56.999 56.400 -0.356 0.000 0.698 461 E CB -1.292 27.951 29.700 -0.761 0.000 1.086 461 E HN 0.434 nan 8.360 nan 0.000 0.338 462 S N -0.072 115.693 115.700 0.109 0.000 2.941 462 S HA 0.401 4.886 4.470 0.024 0.000 0.251 462 S C 0.633 175.399 174.600 0.276 0.000 1.029 462 S CA -0.136 58.188 58.200 0.206 0.000 1.062 462 S CB 1.397 64.781 63.200 0.307 0.000 0.977 462 S HN 0.838 nan 8.310 nan 0.000 0.552 463 G N 2.008 110.904 108.800 0.159 0.000 2.601 463 G HA2 -0.260 3.714 3.960 0.024 0.000 0.261 463 G HA3 -0.260 3.714 3.960 0.024 0.000 0.261 463 G C -0.533 174.566 174.900 0.331 0.000 1.289 463 G CA -0.121 45.077 45.100 0.163 0.000 0.920 463 G HN 0.637 nan 8.290 nan 0.000 0.571 464 H N 0.458 119.647 119.070 0.198 0.000 2.744 464 H HA 0.589 5.159 4.556 0.023 0.000 0.339 464 H C 0.267 175.765 175.328 0.284 0.000 1.004 464 H CA 0.003 56.210 56.048 0.265 0.000 1.257 464 H CB 0.896 30.748 29.762 0.151 0.000 1.552 464 H HN 1.120 nan 8.280 nan 0.000 0.522 465 G N 1.437 110.276 108.800 0.065 0.000 2.630 465 G HA2 0.458 4.432 3.960 0.024 0.000 0.296 465 G HA3 0.458 4.432 3.960 0.024 0.000 0.296 465 G C 0.494 175.233 174.900 -0.268 0.000 1.285 465 G CA -0.167 44.828 45.100 -0.176 0.000 0.958 465 G HN 0.670 nan 8.290 nan 0.000 0.479 466 A N 0.195 122.908 122.820 -0.178 0.000 2.070 466 A HA -0.065 4.269 4.320 0.024 0.000 0.220 466 A C 2.083 179.635 177.584 -0.054 0.000 1.159 466 A CA 1.737 53.717 52.037 -0.094 0.000 0.656 466 A CB -0.393 18.578 19.000 -0.048 0.000 0.800 466 A HN 0.520 nan 8.150 nan 0.000 0.453 467 N N -0.174 118.457 118.700 -0.116 0.000 2.223 467 N HA -0.138 4.616 4.740 0.024 0.000 0.185 467 N C 1.356 176.795 175.510 -0.120 0.000 1.016 467 N CA 1.652 54.624 53.050 -0.130 0.000 0.863 467 N CB -0.644 37.731 38.487 -0.186 0.000 0.983 467 N HN 0.779 nan 8.380 nan 0.000 0.429 468 H N 0.331 119.375 119.070 -0.044 0.000 2.353 468 H HA -0.019 4.551 4.556 0.023 0.000 0.300 468 H C 1.248 176.643 175.328 0.112 0.000 1.090 468 H CA 1.267 57.304 56.048 -0.019 0.000 1.327 468 H CB 0.169 29.929 29.762 -0.004 0.000 1.383 468 H HN 0.199 nan 8.280 nan 0.000 0.508 469 D N 0.342 120.894 120.400 0.253 0.000 2.117 469 D HA -0.117 4.537 4.640 0.024 0.000 0.197 469 D C 2.302 178.748 176.300 0.244 0.000 0.987 469 D CA 1.125 55.277 54.000 0.254 0.000 0.829 469 D CB -0.332 40.588 40.800 0.201 0.000 0.961 469 D HN 0.426 nan 8.370 nan 0.000 0.460 470 A N 0.923 123.837 122.820 0.157 0.000 1.877 470 A HA -0.123 4.211 4.320 0.024 0.000 0.216 470 A C 2.408 180.100 177.584 0.181 0.000 1.186 470 A CA 0.981 53.102 52.037 0.140 0.000 0.620 470 A CB -0.747 18.295 19.000 0.069 0.000 0.822 470 A HN 0.197 nan 8.150 nan 0.000 0.443 471 L N -2.224 119.090 121.223 0.153 0.000 2.156 471 L HA -0.112 4.242 4.340 0.024 0.000 0.208 471 L C 2.551 179.565 176.870 0.240 0.000 1.095 471 L CA 1.362 56.297 54.840 0.157 0.000 0.770 471 L CB -0.691 41.388 42.059 0.033 0.000 0.914 471 L HN 0.591 nan 8.230 nan 0.000 0.439 472 Y N 1.423 121.809 120.300 0.144 0.000 2.128 472 Y HA -0.324 4.236 4.550 0.016 0.000 0.284 472 Y C 2.800 178.782 175.900 0.137 0.000 1.154 472 Y CA 1.797 59.985 58.100 0.146 0.000 1.149 472 Y CB -0.120 38.429 38.460 0.149 0.000 0.976 472 Y HN -0.026 nan 8.280 nan 0.000 0.505 473 R N -0.269 120.352 120.500 0.201 0.000 2.115 473 R HA -0.160 4.194 4.340 0.024 0.000 0.226 473 R C 1.988 178.290 176.300 0.004 0.000 1.100 473 R CA 1.629 57.759 56.100 0.050 0.000 0.980 473 R CB -1.292 29.118 30.300 0.183 0.000 0.875 473 R HN 0.639 nan 8.270 nan 0.000 0.445 474 W N 0.504 121.766 121.300 -0.064 0.000 2.335 474 W HA -0.154 4.522 4.660 0.026 0.000 0.311 474 W C 1.510 177.939 176.519 -0.150 0.000 1.213 474 W CA 1.980 59.272 57.345 -0.089 0.000 1.274 474 W CB -0.240 29.170 29.460 -0.084 0.000 1.148 474 W HN 0.067 nan 8.180 nan 0.000 0.498 475 I N 0.891 121.450 120.570 -0.018 0.000 2.142 475 I HA -0.361 3.824 4.170 0.024 0.000 0.240 475 I C 2.459 178.373 176.117 -0.338 0.000 1.078 475 I CA 1.476 62.618 61.300 -0.263 0.000 1.343 475 I CB -0.765 37.145 38.000 -0.150 0.000 1.046 475 I HN -0.112 nan 8.210 nan 0.000 0.405 476 K N 0.373 120.583 120.400 -0.317 0.000 2.152 476 K HA -0.174 4.160 4.320 0.024 0.000 0.206 476 K C 2.258 178.715 176.600 -0.237 0.000 1.048 476 K CA 1.616 57.740 56.287 -0.271 0.000 0.933 476 K CB -0.508 31.789 32.500 -0.339 0.000 0.721 476 K HN 0.318 nan 8.250 nan 0.000 0.447 477 S N 0.994 116.517 115.700 -0.296 0.000 2.377 477 S HA -0.080 4.405 4.470 0.024 0.000 0.223 477 S C 2.054 176.435 174.600 -0.366 0.000 1.030 477 S CA 1.083 59.114 58.200 -0.282 0.000 0.970 477 S CB -0.116 62.930 63.200 -0.257 0.000 0.830 477 S HN 0.163 nan 8.310 nan 0.000 0.473 478 V N -0.776 118.777 119.914 -0.601 0.000 2.788 478 V HA 0.288 4.423 4.120 0.024 0.000 0.251 478 V C 0.360 176.228 176.094 -0.378 0.000 1.068 478 V CA 1.346 63.296 62.300 -0.583 0.000 1.090 478 V CB -0.450 30.792 31.823 -0.967 0.000 0.710 478 V HN 0.459 nan 8.190 nan 0.000 0.467 479 D N 0.744 120.967 120.400 -0.295 0.000 2.363 479 D HA 0.391 5.045 4.640 0.024 0.000 0.258 479 D C -2.159 174.130 176.300 -0.018 0.000 1.259 479 D CA -1.902 52.038 54.000 -0.100 0.000 0.921 479 D CB 1.694 42.522 40.800 0.047 0.000 1.201 479 D HN 0.184 nan 8.370 nan 0.000 0.524 480 P HA -0.032 nan 4.420 nan 0.000 0.237 480 P C 1.122 178.442 177.300 0.032 0.000 1.178 480 P CA 0.408 63.502 63.100 -0.010 0.000 0.766 480 P CB 0.104 31.792 31.700 -0.020 0.000 0.876 481 S N -1.216 114.511 115.700 0.046 0.000 2.561 481 S HA 0.040 4.524 4.470 0.024 0.000 0.225 481 S C 0.880 175.506 174.600 0.044 0.000 0.977 481 S CA -0.042 58.189 58.200 0.053 0.000 0.926 481 S CB -0.411 62.815 63.200 0.042 0.000 0.769 481 S HN 0.075 nan 8.310 nan 0.000 0.533 482 R N 1.097 121.634 120.500 0.062 0.000 2.621 482 R HA 0.528 4.882 4.340 0.024 0.000 0.284 482 R C -3.193 173.153 176.300 0.076 0.000 0.998 482 R CA -2.230 53.869 56.100 -0.001 0.000 0.895 482 R CB 1.606 31.782 30.300 -0.206 0.000 1.195 482 R HN 0.148 nan 8.270 nan 0.000 0.450 483 P HA 0.064 nan 4.420 nan 0.000 0.271 483 P C -0.810 176.595 177.300 0.175 0.000 1.233 483 P CA -0.370 62.792 63.100 0.104 0.000 0.789 483 P CB 0.635 32.383 31.700 0.080 0.000 0.951 484 V N 1.934 121.979 119.914 0.219 0.000 2.495 484 V HA 0.405 4.539 4.120 0.024 0.000 0.298 484 V C 0.215 176.499 176.094 0.317 0.000 1.031 484 V CA -0.284 62.195 62.300 0.300 0.000 0.871 484 V CB 1.112 33.077 31.823 0.236 0.000 0.988 484 V HN 0.613 nan 8.190 nan 0.000 0.432 485 Q N 3.845 123.813 119.800 0.280 0.000 2.458 485 Q HA 0.817 5.172 4.340 0.024 0.000 0.282 485 Q C -1.830 174.342 176.000 0.286 0.000 1.106 485 Q CA -0.924 55.014 55.803 0.224 0.000 0.814 485 Q CB 2.997 31.812 28.738 0.128 0.000 1.425 485 Q HN 0.641 nan 8.270 nan 0.000 0.437 486 Y N -0.008 120.312 120.300 0.033 0.000 2.357 486 Y HA 0.138 4.701 4.550 0.022 0.000 0.319 486 Y C -0.700 175.149 175.900 -0.084 0.000 1.225 486 Y CA -0.733 57.355 58.100 -0.021 0.000 1.095 486 Y CB 1.939 40.380 38.460 -0.032 0.000 1.302 486 Y HN 0.950 nan 8.280 nan 0.000 0.429 487 E N 3.360 123.066 120.200 -0.824 0.000 2.385 487 E HA 0.148 4.512 4.350 0.024 0.000 0.194 487 E C 0.621 176.764 176.600 -0.762 0.000 1.013 487 E CA 0.707 56.736 56.400 -0.618 0.000 0.866 487 E CB 0.289 29.756 29.700 -0.389 0.000 0.832 487 E HN 0.881 nan 8.360 nan 0.000 0.500 488 G N -0.213 107.721 108.800 -1.444 0.000 2.559 488 G HA2 0.266 4.240 3.960 0.024 0.000 0.235 488 G HA3 0.266 4.240 3.960 0.024 0.000 0.235 488 G C 0.790 175.537 174.900 -0.255 0.000 1.266 488 G CA 0.250 44.933 45.100 -0.696 0.000 0.847 488 G HN 0.323 nan 8.290 nan 0.000 0.583 489 G N -0.616 108.144 108.800 -0.066 0.000 2.143 489 G HA2 0.234 4.208 3.960 0.024 0.000 0.248 489 G HA3 0.234 4.208 3.960 0.024 0.000 0.248 489 G C 1.254 176.164 174.900 0.016 0.000 0.991 489 G CA 0.954 46.080 45.100 0.043 0.000 0.689 489 G HN 2.621 nan 8.290 nan 0.000 0.522 490 G N -1.373 107.430 108.800 0.005 0.000 2.192 490 G HA2 0.434 4.408 3.960 0.024 0.000 0.193 490 G HA3 0.434 4.408 3.960 0.024 0.000 0.193 490 G C 1.046 176.078 174.900 0.220 0.000 0.999 490 G CA 1.304 46.473 45.100 0.116 0.000 0.659 490 G HN 2.361 nan 8.290 nan 0.000 0.503 491 A N -0.324 122.504 122.820 0.012 0.000 3.396 491 A HA -0.112 4.222 4.320 0.024 0.000 0.267 491 A C 1.081 178.604 177.584 -0.101 0.000 1.139 491 A CA 2.610 54.593 52.037 -0.089 0.000 1.115 491 A CB -1.757 17.160 19.000 -0.137 0.000 1.133 491 A HN 2.126 nan 8.150 nan 0.000 0.920 492 D N -0.913 119.512 120.400 0.041 0.000 2.760 492 D HA 0.317 4.971 4.640 0.024 0.000 0.314 492 D C 0.394 176.693 176.300 -0.001 0.000 1.464 492 D CA 0.829 54.855 54.000 0.044 0.000 0.797 492 D CB -1.144 39.828 40.800 0.286 0.000 1.149 492 D HN 0.832 nan 8.370 nan 0.000 0.455 493 T N -2.344 112.142 114.554 -0.113 0.000 2.689 493 T HA 0.211 4.575 4.350 0.024 0.000 0.308 493 T C 1.558 176.118 174.700 -0.232 0.000 1.021 493 T CA 0.470 62.427 62.100 -0.238 0.000 0.973 493 T CB 0.785 69.293 68.868 -0.599 0.000 1.113 493 T HN 0.080 nan 8.240 nan 0.000 0.522 494 T N -2.674 111.724 114.554 -0.260 0.000 3.160 494 T HA 0.280 4.644 4.350 0.024 0.000 0.257 494 T C 1.406 175.847 174.700 -0.431 0.000 1.147 494 T CA 0.174 62.136 62.100 -0.229 0.000 1.064 494 T CB -0.476 68.340 68.868 -0.087 0.000 0.949 494 T HN 0.828 nan 8.240 nan 0.000 0.526 495 A N 0.473 123.067 122.820 -0.376 0.000 2.460 495 A HA 0.528 4.862 4.320 0.024 0.000 0.258 495 A C 0.764 178.202 177.584 -0.243 0.000 1.300 495 A CA -0.352 51.454 52.037 -0.384 0.000 0.913 495 A CB 0.110 19.152 19.000 0.071 0.000 1.031 495 A HN 0.427 nan 8.150 nan 0.000 0.512 496 T N -1.387 113.020 114.554 -0.244 0.000 2.952 496 T HA 0.365 4.729 4.350 0.024 0.000 0.305 496 T C -0.649 174.074 174.700 0.038 0.000 1.064 496 T CA -0.427 61.678 62.100 0.008 0.000 1.008 496 T CB 1.236 70.104 68.868 0.001 0.000 1.078 496 T HN 0.078 nan 8.240 nan 0.000 0.459 497 D N 2.971 123.479 120.400 0.180 0.000 2.348 497 D HA 0.269 4.923 4.640 0.024 0.000 0.211 497 D C 0.345 176.679 176.300 0.056 0.000 0.998 497 D CA 0.682 54.769 54.000 0.145 0.000 0.873 497 D CB 0.405 41.324 40.800 0.198 0.000 0.925 497 D HN 0.539 nan 8.370 nan 0.000 0.524 498 I N 0.916 121.501 120.570 0.025 0.000 2.545 498 I HA 0.250 4.434 4.170 0.024 0.000 0.292 498 I C -0.173 175.881 176.117 -0.106 0.000 1.040 498 I CA -0.894 60.386 61.300 -0.033 0.000 1.068 498 I CB 2.847 40.842 38.000 -0.009 0.000 1.251 498 I HN -0.355 nan 8.210 nan 0.000 0.424 499 I N 5.726 126.186 120.570 -0.184 0.000 2.505 499 I HA 0.043 4.227 4.170 0.024 0.000 0.287 499 I C 0.168 176.073 176.117 -0.353 0.000 1.104 499 I CA 0.049 61.138 61.300 -0.352 0.000 1.387 499 I CB 0.169 37.848 38.000 -0.536 0.000 1.404 499 I HN 0.673 nan 8.210 nan 0.000 0.528 500 C N 5.711 124.819 119.300 -0.320 0.000 3.401 500 C HA 0.479 4.953 4.460 0.024 0.000 0.204 500 C C -2.219 172.635 174.990 -0.227 0.000 1.522 500 C CA -2.264 56.622 59.018 -0.220 0.000 1.409 500 C CB -0.813 26.858 27.740 -0.115 0.000 1.967 500 C HN 0.408 nan 8.230 nan 0.000 0.496 501 P HA 0.328 nan 4.420 nan 0.000 0.274 501 P C -0.431 176.815 177.300 -0.090 0.000 1.246 501 P CA 0.243 63.242 63.100 -0.169 0.000 0.795 501 P CB 0.790 32.420 31.700 -0.117 0.000 1.006 502 M N 0.203 119.768 119.600 -0.059 0.000 2.181 502 M HA 0.442 4.936 4.480 0.024 0.000 0.323 502 M C -0.844 175.406 176.300 -0.083 0.000 1.004 502 M CA -0.659 54.496 55.300 -0.242 0.000 0.941 502 M CB 1.133 33.565 32.600 -0.281 0.000 1.579 502 M HN 0.333 nan 8.290 nan 0.000 0.427 503 Y N -0.214 120.261 120.300 0.290 0.000 4.490 503 Y HA -0.212 4.353 4.550 0.025 0.000 0.233 503 Y C 0.473 176.550 175.900 0.295 0.000 1.101 503 Y CA 0.431 58.706 58.100 0.291 0.000 2.010 503 Y CB -2.269 36.337 38.460 0.242 0.000 1.622 503 Y HN 0.974 nan 8.280 nan 0.000 0.675 504 A N 1.083 124.114 122.820 0.351 0.000 2.425 504 A HA 0.606 4.941 4.320 0.024 0.000 0.249 504 A C 0.730 178.534 177.584 0.367 0.000 1.084 504 A CA -0.451 51.799 52.037 0.354 0.000 0.781 504 A CB 0.442 19.689 19.000 0.412 0.000 1.019 504 A HN 0.419 nan 8.150 nan 0.000 0.490 505 R N 1.234 121.878 120.500 0.240 0.000 2.541 505 R HA 0.351 4.705 4.340 0.024 0.000 0.263 505 R C 0.961 177.229 176.300 -0.054 0.000 1.112 505 R CA -0.720 55.455 56.100 0.126 0.000 1.170 505 R CB 0.614 30.955 30.300 0.069 0.000 1.167 505 R HN 0.486 nan 8.270 nan 0.000 0.582 506 V N 0.519 120.236 119.914 -0.328 0.000 2.346 506 V HA -0.165 3.969 4.120 0.024 0.000 0.244 506 V C 0.929 176.902 176.094 -0.202 0.000 1.037 506 V CA 1.817 63.884 62.300 -0.388 0.000 1.029 506 V CB -0.229 31.238 31.823 -0.594 0.000 0.663 506 V HN 0.725 nan 8.190 nan 0.000 0.454 507 D N -1.373 118.942 120.400 -0.141 0.000 2.454 507 D HA 0.102 4.756 4.640 0.024 0.000 0.219 507 D C 0.889 177.171 176.300 -0.030 0.000 1.081 507 D CA 0.078 54.031 54.000 -0.077 0.000 0.867 507 D CB 0.781 41.540 40.800 -0.068 0.000 1.054 507 D HN 0.463 nan 8.370 nan 0.000 0.500 508 E N 1.845 122.031 120.200 -0.024 0.000 2.174 508 E HA 0.110 4.474 4.350 0.024 0.000 0.282 508 E C -0.827 175.769 176.600 -0.006 0.000 0.992 508 E CA -0.611 55.784 56.400 -0.009 0.000 0.803 508 E CB 1.022 30.718 29.700 -0.007 0.000 1.090 508 E HN -0.183 nan 8.360 nan 0.000 0.396 509 D N 3.602 124.000 120.400 -0.005 0.000 2.341 509 D HA 0.107 4.761 4.640 0.024 0.000 0.245 509 D C -0.572 175.608 176.300 -0.199 0.000 1.106 509 D CA 0.284 54.266 54.000 -0.030 0.000 0.905 509 D CB 1.119 41.972 40.800 0.088 0.000 1.202 509 D HN 0.410 nan 8.370 nan 0.000 0.426 510 Q N 1.575 121.122 119.800 -0.422 0.000 2.771 510 Q HA 0.235 4.589 4.340 0.024 0.000 0.247 510 Q C -2.206 173.155 176.000 -1.066 0.000 0.986 510 Q CA -1.486 53.858 55.803 -0.764 0.000 0.713 510 Q CB 2.356 30.587 28.738 -0.844 0.000 1.241 510 Q HN 0.184 nan 8.270 nan 0.000 0.488 511 P HA -0.015 nan 4.420 nan 0.000 0.225 511 P C -0.658 176.355 177.300 -0.479 0.000 1.768 511 P CA -0.015 62.677 63.100 -0.679 0.000 0.943 511 P CB -0.592 30.929 31.700 -0.298 0.000 1.936 512 F N 1.785 121.560 119.950 -0.292 0.000 2.553 512 F HA 0.140 4.681 4.527 0.023 0.000 0.356 512 F C -1.169 174.530 175.800 -0.169 0.000 1.142 512 F CA -2.328 55.562 58.000 -0.183 0.000 1.322 512 F CB -0.648 38.260 39.000 -0.154 0.000 1.126 512 F HN 0.046 nan 8.300 nan 0.000 0.599 513 P HA 0.100 nan 4.420 nan 0.000 0.268 513 P C 0.310 177.627 177.300 0.029 0.000 1.205 513 P CA 0.997 64.117 63.100 0.034 0.000 0.771 513 P CB 1.115 32.831 31.700 0.028 0.000 0.858 514 A N 2.583 125.415 122.820 0.020 0.000 2.617 514 A HA -0.248 4.086 4.320 0.024 0.000 0.236 514 A C 0.754 178.351 177.584 0.022 0.000 0.514 514 A CA 2.065 54.118 52.037 0.027 0.000 1.126 514 A CB -2.683 16.331 19.000 0.024 0.000 1.393 514 A HN 0.700 nan 8.150 nan 0.000 0.693 515 V N -3.028 116.891 119.914 0.009 0.000 2.562 515 V HA 0.542 4.676 4.120 0.024 0.000 0.274 515 V C -2.258 173.825 176.094 -0.019 0.000 1.075 515 V CA -1.239 61.066 62.300 0.008 0.000 1.204 515 V CB 0.507 32.337 31.823 0.012 0.000 1.478 515 V HN 0.502 nan 8.190 nan 0.000 0.622 516 P HA 0.205 nan 4.420 nan 0.000 0.269 516 P C -0.579 176.292 177.300 -0.715 0.000 1.215 516 P CA 0.240 62.958 63.100 -0.636 0.000 0.780 516 P CB 0.962 31.798 31.700 -1.441 0.000 0.898 517 K N 2.369 122.405 120.400 -0.608 0.000 2.354 517 K HA 0.206 4.541 4.320 0.024 0.000 0.257 517 K C -0.383 175.890 176.600 -0.545 0.000 1.062 517 K CA -0.282 55.823 56.287 -0.302 0.000 0.971 517 K CB 0.349 32.937 32.500 0.147 0.000 1.305 517 K HN 0.458 nan 8.250 nan 0.000 0.449 518 W N 1.399 122.374 121.300 -0.542 0.000 2.126 518 W HA 0.050 4.724 4.660 0.024 0.000 0.346 518 W C 1.324 177.846 176.519 0.004 0.000 1.279 518 W CA -0.411 56.717 57.345 -0.363 0.000 1.259 518 W CB 0.437 29.509 29.460 -0.647 0.000 1.133 518 W HN 0.378 nan 8.180 nan 0.000 0.592 519 S N 3.071 118.919 115.700 0.247 0.000 2.558 519 S HA -0.090 4.394 4.470 0.024 0.000 0.291 519 S C 1.209 175.963 174.600 0.257 0.000 1.306 519 S CA -0.086 58.212 58.200 0.163 0.000 1.056 519 S CB 0.177 63.428 63.200 0.086 0.000 0.836 519 S HN 0.510 nan 8.310 nan 0.000 0.504 520 I N 1.974 122.655 120.570 0.184 0.000 2.361 520 I HA -0.115 4.069 4.170 0.024 0.000 0.251 520 I C 2.022 178.173 176.117 0.058 0.000 1.133 520 I CA 1.203 62.614 61.300 0.186 0.000 1.413 520 I CB -0.401 37.648 38.000 0.083 0.000 1.073 520 I HN 0.585 nan 8.210 nan 0.000 0.424 521 K N 1.621 121.958 120.400 -0.105 0.000 2.057 521 K HA -0.150 4.184 4.320 0.024 0.000 0.206 521 K C 2.298 178.907 176.600 0.015 0.000 1.050 521 K CA 1.684 57.825 56.287 -0.243 0.000 0.935 521 K CB -0.173 32.109 32.500 -0.363 0.000 0.715 521 K HN 0.357 nan 8.250 nan 0.000 0.439 522 K N -0.020 120.412 120.400 0.053 0.000 2.155 522 K HA -0.162 4.172 4.320 0.024 0.000 0.203 522 K C 1.866 178.515 176.600 0.083 0.000 1.052 522 K CA 0.797 57.109 56.287 0.043 0.000 0.948 522 K CB -0.056 32.439 32.500 -0.009 0.000 0.728 522 K HN 0.209 nan 8.250 nan 0.000 0.448 523 W N 2.070 123.375 121.300 0.008 0.000 2.338 523 W HA -0.165 4.508 4.660 0.021 0.000 0.304 523 W C 1.498 178.008 176.519 -0.016 0.000 1.212 523 W CA 1.057 58.413 57.345 0.019 0.000 1.264 523 W CB -0.597 28.951 29.460 0.148 0.000 1.142 523 W HN 0.079 nan 8.180 nan 0.000 0.512 524 L N 0.909 122.294 121.223 0.270 0.000 2.129 524 L HA -0.254 4.100 4.340 0.024 0.000 0.212 524 L C 2.254 179.195 176.870 0.119 0.000 1.087 524 L CA 2.018 56.952 54.840 0.156 0.000 0.757 524 L CB -0.948 41.192 42.059 0.135 0.000 0.896 524 L HN 0.009 nan 8.230 nan 0.000 0.434 525 S N -1.547 114.210 115.700 0.095 0.000 2.572 525 S HA 0.250 4.734 4.470 0.024 0.000 0.228 525 S C 0.590 175.183 174.600 -0.012 0.000 0.963 525 S CA -0.545 57.679 58.200 0.040 0.000 0.939 525 S CB -0.361 62.860 63.200 0.036 0.000 0.804 525 S HN 0.152 nan 8.310 nan 0.000 0.480 526 L N 1.959 123.166 121.223 -0.026 0.000 2.499 526 L HA 0.221 4.575 4.340 0.024 0.000 0.281 526 L C -2.187 174.649 176.870 -0.057 0.000 1.234 526 L CA -1.698 53.074 54.840 -0.114 0.000 0.839 526 L CB -0.362 41.594 42.059 -0.172 0.000 1.104 526 L HN 0.029 nan 8.230 nan 0.000 0.500 527 P HA -0.030 nan 4.420 nan 0.000 0.260 527 P C 0.741 178.031 177.300 -0.018 0.000 1.172 527 P CA 1.084 64.157 63.100 -0.046 0.000 0.760 527 P CB 0.504 32.170 31.700 -0.056 0.000 0.773 528 G N 1.759 110.556 108.800 -0.005 0.000 2.212 528 G HA2 -0.285 3.689 3.960 0.024 0.000 0.266 528 G HA3 -0.285 3.689 3.960 0.024 0.000 0.266 528 G C 0.289 175.202 174.900 0.021 0.000 0.978 528 G CA 0.196 45.301 45.100 0.008 0.000 0.632 528 G HN 0.618 nan 8.290 nan 0.000 0.537 529 E N 1.035 121.254 120.200 0.031 0.000 2.338 529 E HA 0.592 4.957 4.350 0.024 0.000 0.272 529 E C 1.350 177.974 176.600 0.039 0.000 1.029 529 E CA 0.674 57.106 56.400 0.052 0.000 0.872 529 E CB 0.777 30.534 29.700 0.096 0.000 1.015 529 E HN 0.530 nan 8.360 nan 0.000 0.417 530 T N 0.629 115.203 114.554 0.033 0.000 3.130 530 T HA 0.341 4.705 4.350 0.024 0.000 0.288 530 T C 0.602 175.311 174.700 0.015 0.000 0.936 530 T CA -0.463 61.651 62.100 0.024 0.000 0.897 530 T CB 0.117 68.997 68.868 0.021 0.000 1.178 530 T HN 0.230 nan 8.240 nan 0.000 0.543 531 R N 2.190 122.695 120.500 0.008 0.000 2.583 531 R HA 0.498 4.853 4.340 0.024 0.000 0.268 531 R C -2.552 173.729 176.300 -0.031 0.000 1.101 531 R CA -1.969 54.125 56.100 -0.009 0.000 1.180 531 R CB 0.168 30.455 30.300 -0.022 0.000 1.128 531 R HN 0.206 nan 8.270 nan 0.000 0.568 532 P HA 0.104 nan 4.420 nan 0.000 0.276 532 P C -1.112 176.122 177.300 -0.109 0.000 1.252 532 P CA -0.147 62.915 63.100 -0.064 0.000 0.802 532 P CB 0.691 32.353 31.700 -0.063 0.000 1.035 533 L N 2.301 123.440 121.223 -0.139 0.000 2.349 533 L HA 0.588 4.942 4.340 0.024 0.000 0.278 533 L C -1.075 175.661 176.870 -0.224 0.000 0.996 533 L CA -0.682 54.037 54.840 -0.202 0.000 0.825 533 L CB 0.638 42.567 42.059 -0.217 0.000 1.243 533 L HN 0.237 nan 8.230 nan 0.000 0.412 534 I N 5.568 126.013 120.570 -0.208 0.000 2.500 534 I HA 0.263 4.447 4.170 0.024 0.000 0.286 534 I C -0.785 175.250 176.117 -0.136 0.000 1.063 534 I CA -0.563 60.603 61.300 -0.224 0.000 1.062 534 I CB 2.089 40.019 38.000 -0.117 0.000 1.223 534 I HN 0.488 nan 8.210 nan 0.000 0.435 535 L N 5.559 126.672 121.223 -0.184 0.000 2.455 535 L HA 0.051 4.406 4.340 0.024 0.000 0.272 535 L C 1.446 178.404 176.870 0.146 0.000 1.174 535 L CA -0.107 54.696 54.840 -0.060 0.000 0.869 535 L CB 0.748 42.757 42.059 -0.084 0.000 1.130 535 L HN 0.861 nan 8.230 nan 0.000 0.474 536 C N 0.099 119.458 119.300 0.099 0.000 2.468 536 C HA 0.159 4.633 4.460 0.024 0.000 0.277 536 C C 0.598 175.741 174.990 0.255 0.000 1.400 536 C CA -0.218 58.902 59.018 0.170 0.000 1.770 536 C CB -1.048 26.704 27.740 0.019 0.000 1.905 536 C HN 0.812 nan 8.230 nan 0.000 0.519 537 E N -0.748 119.542 120.200 0.150 0.000 2.335 537 E HA 0.604 4.968 4.350 0.024 0.000 0.280 537 E C -1.427 175.190 176.600 0.028 0.000 0.918 537 E CA -0.400 56.097 56.400 0.162 0.000 0.765 537 E CB 2.020 31.643 29.700 -0.128 0.000 1.218 537 E HN 0.684 nan 8.360 nan 0.000 0.425 538 Y N -1.311 119.032 120.300 0.071 0.000 2.689 538 Y HA 0.632 5.197 4.550 0.025 0.000 0.333 538 Y C -0.692 175.398 175.900 0.316 0.000 1.208 538 Y CA -0.923 57.212 58.100 0.058 0.000 1.055 538 Y CB 0.883 39.199 38.460 -0.241 0.000 1.304 538 Y HN 0.648 nan 8.280 nan 0.000 0.455 539 A N 1.793 124.697 122.820 0.140 0.000 2.303 539 A HA -0.262 4.072 4.320 0.024 0.000 0.286 539 A C -0.424 177.294 177.584 0.224 0.000 1.429 539 A CA 1.034 53.145 52.037 0.125 0.000 0.738 539 A CB -2.461 16.527 19.000 -0.019 0.000 1.149 539 A HN 1.089 nan 8.150 nan 0.000 0.364 540 H N 0.822 120.046 119.070 0.256 0.000 3.191 540 H HA 0.284 4.854 4.556 0.023 0.000 0.261 540 H C 1.052 176.452 175.328 0.121 0.000 1.013 540 H CA 0.815 57.028 56.048 0.274 0.000 1.457 540 H CB 0.436 30.225 29.762 0.044 0.000 1.535 540 H HN 0.821 nan 8.280 nan 0.000 0.518 541 A N 6.700 129.438 122.820 -0.136 0.000 3.019 541 A HA 0.073 4.408 4.320 0.024 0.000 0.262 541 A C 0.838 178.291 177.584 -0.218 0.000 1.509 541 A CA -0.433 51.500 52.037 -0.173 0.000 1.159 541 A CB -0.671 18.202 19.000 -0.211 0.000 1.042 541 A HN 0.812 nan 8.150 nan 0.000 0.641 542 M N 1.582 121.047 119.600 -0.225 0.000 2.156 542 M HA 0.447 4.941 4.480 0.024 0.000 0.345 542 M C 0.949 177.112 176.300 -0.228 0.000 1.398 542 M CA 1.336 56.512 55.300 -0.207 0.000 1.148 542 M CB -0.247 32.290 32.600 -0.105 0.000 1.663 542 M HN 0.874 nan 8.290 nan 0.000 0.464 543 G N 4.151 112.804 108.800 -0.245 0.000 2.539 543 G HA2 -0.328 3.647 3.960 0.024 0.000 0.256 543 G HA3 -0.328 3.647 3.960 0.024 0.000 0.256 543 G C -0.349 174.100 174.900 -0.751 0.000 1.233 543 G CA -0.038 44.751 45.100 -0.520 0.000 0.936 543 G HN 0.847 nan 8.290 nan 0.000 0.571 544 N N 1.141 119.231 118.700 -1.017 0.000 2.448 544 N HA 0.521 5.275 4.740 0.024 0.000 0.250 544 N C -0.012 175.262 175.510 -0.394 0.000 1.136 544 N CA 1.038 53.646 53.050 -0.737 0.000 0.953 544 N CB 0.559 38.612 38.487 -0.723 0.000 1.251 544 N HN 0.857 nan 8.380 nan 0.000 0.502 545 S N 2.181 117.738 115.700 -0.239 0.000 2.903 545 S HA 0.628 5.113 4.470 0.024 0.000 0.314 545 S C -0.137 174.412 174.600 -0.085 0.000 1.177 545 S CA -0.353 57.758 58.200 -0.149 0.000 0.859 545 S CB 0.182 63.308 63.200 -0.122 0.000 1.265 545 S HN 0.369 nan 8.310 nan 0.000 0.584 546 L N 0.054 121.260 121.223 -0.028 0.000 4.793 546 L HA -0.054 4.300 4.340 0.024 0.000 0.404 546 L C 0.579 177.503 176.870 0.089 0.000 1.022 546 L CA 0.900 55.748 54.840 0.014 0.000 1.242 546 L CB -1.781 40.199 42.059 -0.131 0.000 2.049 546 L HN 0.754 nan 8.230 nan 0.000 0.637 547 G N -0.626 108.195 108.800 0.035 0.000 2.313 547 G HA2 0.462 4.437 3.960 0.024 0.000 0.250 547 G HA3 0.462 4.437 3.960 0.024 0.000 0.250 547 G C 1.238 176.197 174.900 0.099 0.000 1.281 547 G CA 0.259 45.358 45.100 -0.001 0.000 0.917 547 G HN 1.410 nan 8.290 nan 0.000 0.501 548 G N 1.761 110.617 108.800 0.093 0.000 2.143 548 G HA2 -0.315 3.659 3.960 0.024 0.000 0.249 548 G HA3 -0.315 3.659 3.960 0.024 0.000 0.249 548 G C 0.939 176.042 174.900 0.340 0.000 0.981 548 G CA 0.715 45.928 45.100 0.188 0.000 0.665 548 G HN 0.803 nan 8.290 nan 0.000 0.528 549 F N 1.633 121.718 119.950 0.225 0.000 2.171 549 F HA 0.164 4.705 4.527 0.024 0.000 0.300 549 F C 2.591 178.618 175.800 0.378 0.000 1.090 549 F CA 2.356 60.564 58.000 0.346 0.000 1.293 549 F CB -0.340 38.802 39.000 0.235 0.000 1.013 549 F HN 0.338 nan 8.300 nan 0.000 0.486 550 A N -0.401 122.598 122.820 0.298 0.000 2.067 550 A HA -0.195 4.139 4.320 0.024 0.000 0.219 550 A C 2.265 179.879 177.584 0.050 0.000 1.158 550 A CA 1.531 53.671 52.037 0.172 0.000 0.661 550 A CB -0.756 18.351 19.000 0.178 0.000 0.801 550 A HN 0.446 nan 8.150 nan 0.000 0.452 551 K N -1.565 118.853 120.400 0.029 0.000 2.097 551 K HA -0.150 4.184 4.320 0.024 0.000 0.205 551 K C 1.628 178.013 176.600 -0.357 0.000 1.050 551 K CA 1.428 57.644 56.287 -0.119 0.000 0.938 551 K CB -0.293 32.141 32.500 -0.111 0.000 0.718 551 K HN 0.561 nan 8.250 nan 0.000 0.442 552 Y N -0.867 119.167 120.300 -0.444 0.000 2.200 552 Y HA -0.223 4.341 4.550 0.023 0.000 0.290 552 Y C 1.887 176.780 175.900 -1.677 0.000 1.137 552 Y CA 1.472 58.933 58.100 -1.065 0.000 1.163 552 Y CB -0.199 37.626 38.460 -1.058 0.000 0.988 552 Y HN 0.170 nan 8.280 nan 0.000 0.518 553 W N -0.096 120.761 121.300 -0.738 0.000 2.388 553 W HA -0.180 4.495 4.660 0.025 0.000 0.294 553 W C 2.601 178.933 176.519 -0.311 0.000 1.212 553 W CA 1.352 58.395 57.345 -0.504 0.000 1.271 553 W CB -0.520 28.749 29.460 -0.317 0.000 1.126 553 W HN 0.029 nan 8.180 nan 0.000 0.535 554 Q N 0.795 120.506 119.800 -0.149 0.000 2.124 554 Q HA -0.169 4.185 4.340 0.024 0.000 0.202 554 Q C 2.161 178.089 176.000 -0.120 0.000 0.977 554 Q CA 2.030 57.784 55.803 -0.081 0.000 0.850 554 Q CB -0.498 28.205 28.738 -0.058 0.000 0.901 554 Q HN 0.280 nan 8.270 nan 0.000 0.429 555 A N -0.137 122.514 122.820 -0.282 0.000 1.897 555 A HA -0.075 4.260 4.320 0.024 0.000 0.215 555 A C 2.018 179.541 177.584 -0.101 0.000 1.181 555 A CA 0.882 52.777 52.037 -0.236 0.000 0.620 555 A CB -0.999 17.729 19.000 -0.453 0.000 0.821 555 A HN 0.460 nan 8.150 nan 0.000 0.443 556 F N -0.293 119.465 119.950 -0.320 0.000 2.161 556 F HA -0.203 4.339 4.527 0.024 0.000 0.300 556 F C 2.744 178.438 175.800 -0.177 0.000 1.089 556 F CA 1.060 58.846 58.000 -0.357 0.000 1.282 556 F CB -0.143 38.421 39.000 -0.727 0.000 1.010 556 F HN 0.154 nan 8.300 nan 0.000 0.485 557 R N -0.022 120.520 120.500 0.069 0.000 2.119 557 R HA -0.132 4.222 4.340 0.024 0.000 0.222 557 R C 2.082 178.417 176.300 0.057 0.000 1.088 557 R CA 0.840 56.974 56.100 0.056 0.000 0.984 557 R CB -0.341 29.989 30.300 0.050 0.000 0.884 557 R HN 0.372 nan 8.270 nan 0.000 0.447 558 Q N -0.295 119.567 119.800 0.104 0.000 2.245 558 Q HA -0.054 4.300 4.340 0.024 0.000 0.201 558 Q C -0.500 175.554 176.000 0.089 0.000 0.955 558 Q CA 0.897 56.762 55.803 0.104 0.000 0.870 558 Q CB 0.405 29.248 28.738 0.175 0.000 0.945 558 Q HN 0.168 nan 8.270 nan 0.000 0.461 559 Y N -0.062 120.217 120.300 -0.034 0.000 2.342 559 Y HA 0.273 4.836 4.550 0.022 0.000 0.338 559 Y C -1.797 174.077 175.900 -0.044 0.000 0.965 559 Y CA -2.885 55.195 58.100 -0.033 0.000 1.159 559 Y CB 1.478 39.923 38.460 -0.025 0.000 1.157 559 Y HN 0.090 nan 8.280 nan 0.000 0.486 560 P HA -0.170 nan 4.420 nan 0.000 0.215 560 P C 1.178 178.480 177.300 0.003 0.000 1.157 560 P CA 1.846 64.946 63.100 -0.000 0.000 0.874 560 P CB 0.318 32.002 31.700 -0.028 0.000 0.790 561 R N -1.197 119.324 120.500 0.035 0.000 2.316 561 R HA 0.072 4.426 4.340 0.024 0.000 0.202 561 R C 0.493 176.779 176.300 -0.023 0.000 1.029 561 R CA 0.174 56.279 56.100 0.007 0.000 1.018 561 R CB -0.527 29.788 30.300 0.024 0.000 0.888 561 R HN 0.241 nan 8.270 nan 0.000 0.471 562 L N 1.866 123.096 121.223 0.011 0.000 2.312 562 L HA 0.122 4.477 4.340 0.024 0.000 0.287 562 L C 0.519 177.257 176.870 -0.221 0.000 1.091 562 L CA 0.173 54.970 54.840 -0.072 0.000 0.846 562 L CB 1.147 43.231 42.059 0.041 0.000 1.219 562 L HN 0.092 nan 8.230 nan 0.000 0.439 563 Q N 2.895 122.486 119.800 -0.348 0.000 2.201 563 Q HA 0.318 4.672 4.340 0.024 0.000 0.236 563 Q C 0.785 176.378 176.000 -0.678 0.000 0.857 563 Q CA 0.059 55.618 55.803 -0.406 0.000 1.025 563 Q CB 1.061 29.651 28.738 -0.247 0.000 1.124 563 Q HN 0.952 nan 8.270 nan 0.000 0.473 564 G N -0.339 107.671 108.800 -1.317 0.000 2.416 564 G HA2 0.110 4.084 3.960 0.024 0.000 0.203 564 G HA3 0.110 4.084 3.960 0.024 0.000 0.203 564 G C -0.347 173.742 174.900 -1.353 0.000 1.227 564 G CA -0.755 43.231 45.100 -1.856 0.000 1.041 564 G HN 0.555 nan 8.290 nan 0.000 0.546 565 G N -2.204 106.097 108.800 -0.832 0.000 2.451 565 G HA2 0.650 4.625 3.960 0.024 0.000 0.292 565 G HA3 0.650 4.625 3.960 0.024 0.000 0.292 565 G C -1.790 173.075 174.900 -0.058 0.000 1.427 565 G CA -0.352 44.500 45.100 -0.414 0.000 0.792 565 G HN 1.113 nan 8.290 nan 0.000 0.498 566 F N 0.797 120.999 119.950 0.421 0.000 2.375 566 F HA 0.515 5.056 4.527 0.022 0.000 0.361 566 F C 0.808 176.888 175.800 0.466 0.000 1.117 566 F CA -0.744 57.513 58.000 0.427 0.000 1.037 566 F CB 1.905 41.054 39.000 0.248 0.000 1.192 566 F HN 0.235 nan 8.300 nan 0.000 0.452 567 V N 3.309 123.489 119.914 0.442 0.000 2.872 567 V HA -0.125 4.010 4.120 0.024 0.000 0.307 567 V C -0.221 176.003 176.094 0.216 0.000 1.072 567 V CA -0.307 62.040 62.300 0.078 0.000 1.148 567 V CB 0.844 32.742 31.823 0.126 0.000 0.954 567 V HN 0.766 nan 8.190 nan 0.000 0.490 568 W N 6.345 127.721 121.300 0.127 0.000 2.278 568 W HA 0.448 5.122 4.660 0.023 0.000 0.317 568 W C -0.844 175.685 176.519 0.015 0.000 1.030 568 W CA -0.641 56.821 57.345 0.194 0.000 1.334 568 W CB 1.254 31.014 29.460 0.499 0.000 1.215 568 W HN 0.920 nan 8.180 nan 0.000 0.405 569 D N 2.670 122.761 120.400 -0.514 0.000 2.812 569 D HA 0.093 4.747 4.640 0.024 0.000 0.318 569 D C 0.648 176.718 176.300 -0.383 0.000 1.234 569 D CA -0.564 52.991 54.000 -0.742 0.000 0.989 569 D CB 0.203 40.003 40.800 -1.666 0.000 1.442 569 D HN 0.407 nan 8.370 nan 0.000 0.537 570 W N 0.406 121.392 121.300 -0.523 0.000 2.380 570 W HA 0.121 4.795 4.660 0.024 0.000 0.317 570 W C -0.083 176.216 176.519 -0.366 0.000 1.196 570 W CA 1.192 58.286 57.345 -0.418 0.000 1.307 570 W CB 0.321 29.562 29.460 -0.365 0.000 1.157 570 W HN 0.160 nan 8.180 nan 0.000 0.483 571 V N 2.689 122.368 119.914 -0.392 0.000 2.638 571 V HA 0.237 4.372 4.120 0.024 0.000 0.306 571 V C -0.880 175.036 176.094 -0.297 0.000 1.052 571 V CA -0.821 61.209 62.300 -0.450 0.000 0.885 571 V CB 1.458 33.123 31.823 -0.264 0.000 0.999 571 V HN -0.089 nan 8.190 nan 0.000 0.424 572 D N 4.320 124.549 120.400 -0.286 0.000 2.533 572 D HA 0.074 4.728 4.640 0.024 0.000 0.236 572 D C 0.290 176.450 176.300 -0.233 0.000 1.137 572 D CA 0.709 54.599 54.000 -0.184 0.000 0.867 572 D CB 0.881 41.662 40.800 -0.031 0.000 1.170 572 D HN 0.624 nan 8.370 nan 0.000 0.474 573 Q N 1.287 120.878 119.800 -0.348 0.000 3.207 573 Q HA 0.135 4.489 4.340 0.024 0.000 0.335 573 Q C -0.107 175.829 176.000 -0.106 0.000 1.374 573 Q CA -0.334 54.998 55.803 -0.784 0.000 1.023 573 Q CB 0.096 28.528 28.738 -0.511 0.000 1.576 573 Q HN 0.362 nan 8.270 nan 0.000 0.515 574 S N -0.083 115.677 115.700 0.100 0.000 2.646 574 S HA 0.650 5.134 4.470 0.024 0.000 0.276 574 S C -0.127 174.634 174.600 0.269 0.000 1.222 574 S CA -0.796 57.575 58.200 0.286 0.000 1.014 574 S CB 1.507 64.862 63.200 0.258 0.000 0.991 574 S HN 0.341 nan 8.310 nan 0.000 0.533 575 L N 1.607 122.908 121.223 0.129 0.000 2.342 575 L HA 0.523 4.877 4.340 0.024 0.000 0.271 575 L C -0.477 176.301 176.870 -0.153 0.000 1.008 575 L CA -1.200 53.594 54.840 -0.077 0.000 0.818 575 L CB 1.480 43.363 42.059 -0.293 0.000 1.296 575 L HN 0.551 nan 8.230 nan 0.000 0.427 576 I N 2.374 122.796 120.570 -0.248 0.000 2.474 576 I HA 0.257 4.442 4.170 0.024 0.000 0.287 576 I C 0.150 175.868 176.117 -0.666 0.000 1.048 576 I CA 0.000 61.022 61.300 -0.464 0.000 1.383 576 I CB 1.039 38.765 38.000 -0.457 0.000 1.412 576 I HN 0.578 nan 8.210 nan 0.000 0.531 577 K N 5.277 125.012 120.400 -1.109 0.000 2.400 577 K HA 0.569 4.904 4.320 0.024 0.000 0.246 577 K C -1.572 174.230 176.600 -1.331 0.000 0.995 577 K CA -0.700 54.850 56.287 -1.228 0.000 0.840 577 K CB 2.362 33.872 32.500 -1.649 0.000 1.293 577 K HN 0.253 nan 8.250 nan 0.000 0.445 578 Y N 0.864 120.899 120.300 -0.442 0.000 2.409 578 Y HA 0.123 4.688 4.550 0.024 0.000 0.343 578 Y C 0.176 176.147 175.900 0.117 0.000 0.973 578 Y CA -0.987 57.038 58.100 -0.126 0.000 1.064 578 Y CB 1.408 39.817 38.460 -0.085 0.000 1.207 578 Y HN 0.704 nan 8.280 nan 0.000 0.452 579 D N 0.401 121.045 120.400 0.406 0.000 2.440 579 D HA 0.016 4.671 4.640 0.024 0.000 0.269 579 D C 0.878 177.287 176.300 0.183 0.000 1.249 579 D CA -0.234 53.959 54.000 0.322 0.000 1.055 579 D CB 0.413 41.352 40.800 0.232 0.000 1.104 579 D HN 0.711 nan 8.370 nan 0.000 0.561 580 E N -0.346 119.923 120.200 0.115 0.000 2.070 580 E HA -0.263 4.101 4.350 0.024 0.000 0.197 580 E C 0.958 177.593 176.600 0.060 0.000 1.004 580 E CA 1.230 57.671 56.400 0.069 0.000 0.805 580 E CB -0.608 29.114 29.700 0.038 0.000 0.744 580 E HN 0.365 nan 8.360 nan 0.000 0.451 581 N N 0.401 119.142 118.700 0.068 0.000 2.449 581 N HA 0.043 4.797 4.740 0.024 0.000 0.191 581 N C 0.940 176.491 175.510 0.069 0.000 1.161 581 N CA 0.949 54.032 53.050 0.055 0.000 0.863 581 N CB 0.793 39.312 38.487 0.053 0.000 0.980 581 N HN 0.463 nan 8.380 nan 0.000 0.458 582 G N 0.300 109.160 108.800 0.100 0.000 2.148 582 G HA2 -0.268 3.706 3.960 0.024 0.000 0.254 582 G HA3 -0.268 3.706 3.960 0.024 0.000 0.254 582 G C -0.163 174.872 174.900 0.225 0.000 0.981 582 G CA -0.313 44.850 45.100 0.104 0.000 0.670 582 G HN 0.312 nan 8.290 nan 0.000 0.528 583 N N 1.613 120.450 118.700 0.229 0.000 2.518 583 N HA 0.470 5.225 4.740 0.024 0.000 0.283 583 N C -2.474 173.187 175.510 0.252 0.000 1.119 583 N CA -1.131 52.056 53.050 0.227 0.000 0.983 583 N CB 1.790 40.371 38.487 0.157 0.000 1.139 583 N HN 0.177 nan 8.380 nan 0.000 0.465 584 P HA 0.307 nan 4.420 nan 0.000 0.281 584 P C -0.549 176.713 177.300 -0.063 0.000 1.249 584 P CA -0.361 62.599 63.100 -0.232 0.000 0.810 584 P CB 0.809 32.349 31.700 -0.266 0.000 1.008 585 W N -0.805 120.255 121.300 -0.399 0.000 3.118 585 W HA 0.456 5.131 4.660 0.024 0.000 0.328 585 W C -1.589 174.745 176.519 -0.308 0.000 1.239 585 W CA -1.048 56.068 57.345 -0.380 0.000 1.176 585 W CB 0.463 29.475 29.460 -0.747 0.000 1.433 585 W HN 0.103 nan 8.180 nan 0.000 0.562 586 S N 1.456 117.255 115.700 0.165 0.000 2.452 586 S HA 0.627 5.111 4.470 0.024 0.000 0.284 586 S C 0.078 174.876 174.600 0.329 0.000 1.171 586 S CA -0.292 57.991 58.200 0.138 0.000 1.064 586 S CB 0.961 64.293 63.200 0.221 0.000 0.967 586 S HN 0.609 nan 8.310 nan 0.000 0.484 587 A N 3.032 125.909 122.820 0.095 0.000 2.337 587 A HA 0.891 5.225 4.320 0.024 0.000 0.331 587 A C -0.750 177.123 177.584 0.482 0.000 1.137 587 A CA -0.726 51.418 52.037 0.179 0.000 0.807 587 A CB 0.667 19.499 19.000 -0.279 0.000 1.250 587 A HN 0.849 nan 8.150 nan 0.000 0.468 588 Y N -0.649 119.988 120.300 0.562 0.000 2.944 588 Y HA 0.776 5.341 4.550 0.024 0.000 0.312 588 Y C 0.694 176.976 175.900 0.637 0.000 1.417 588 Y CA -1.318 57.115 58.100 0.555 0.000 1.105 588 Y CB -0.079 38.534 38.460 0.254 0.000 1.364 588 Y HN 0.900 nan 8.280 nan 0.000 0.540 589 G N -0.177 109.044 108.800 0.701 0.000 2.265 589 G HA2 0.360 4.335 3.960 0.024 0.000 0.240 589 G HA3 0.360 4.335 3.960 0.024 0.000 0.240 589 G C 0.956 176.173 174.900 0.528 0.000 1.270 589 G CA 0.440 45.862 45.100 0.537 0.000 0.901 589 G HN 1.970 nan 8.290 nan 0.000 0.507 590 G N 2.173 111.246 108.800 0.455 0.000 2.241 590 G HA2 -0.280 3.694 3.960 0.024 0.000 0.244 590 G HA3 -0.280 3.694 3.960 0.024 0.000 0.244 590 G C 0.914 176.008 174.900 0.323 0.000 0.998 590 G CA 0.670 45.976 45.100 0.343 0.000 0.621 590 G HN 0.643 nan 8.290 nan 0.000 0.519 591 D N -0.228 120.393 120.400 0.368 0.000 2.378 591 D HA 0.149 4.804 4.640 0.024 0.000 0.227 591 D C 1.215 177.401 176.300 -0.191 0.000 1.012 591 D CA 0.481 54.541 54.000 0.100 0.000 0.905 591 D CB -0.185 40.628 40.800 0.021 0.000 0.895 591 D HN 0.470 nan 8.370 nan 0.000 0.532 592 F N -0.876 119.194 119.950 0.200 0.000 2.668 592 F HA 0.311 4.853 4.527 0.024 0.000 0.301 592 F C 1.761 177.644 175.800 0.138 0.000 1.106 592 F CA -0.209 57.869 58.000 0.129 0.000 1.289 592 F CB 0.795 39.870 39.000 0.126 0.000 1.006 592 F HN -0.052 nan 8.300 nan 0.000 0.535 593 G N 0.290 109.239 108.800 0.247 0.000 2.179 593 G HA2 -0.274 3.700 3.960 0.024 0.000 0.260 593 G HA3 -0.274 3.700 3.960 0.024 0.000 0.260 593 G C -0.195 174.838 174.900 0.221 0.000 0.977 593 G CA 0.138 45.356 45.100 0.197 0.000 0.641 593 G HN 0.399 nan 8.290 nan 0.000 0.533 594 D N 0.537 121.114 120.400 0.296 0.000 2.383 594 D HA 0.502 5.156 4.640 0.024 0.000 0.252 594 D C 0.091 176.503 176.300 0.186 0.000 1.166 594 D CA 0.888 55.045 54.000 0.263 0.000 0.879 594 D CB 1.611 42.624 40.800 0.354 0.000 1.164 594 D HN 0.336 nan 8.370 nan 0.000 0.462 595 T N 1.266 115.900 114.554 0.134 0.000 3.097 595 T HA 0.423 4.787 4.350 0.024 0.000 0.332 595 T C -2.761 171.970 174.700 0.052 0.000 1.269 595 T CA -1.144 61.007 62.100 0.085 0.000 1.076 595 T CB 1.175 70.095 68.868 0.086 0.000 1.209 595 T HN 0.218 nan 8.240 nan 0.000 0.474 596 P HA 0.521 nan 4.420 nan 0.000 0.274 596 P C -0.969 176.313 177.300 -0.030 0.000 1.246 596 P CA -0.370 62.723 63.100 -0.012 0.000 0.795 596 P CB 0.392 32.060 31.700 -0.053 0.000 1.006 597 N N -1.962 116.713 118.700 -0.042 0.000 2.732 597 N HA 0.294 5.048 4.740 0.024 0.000 0.259 597 N C -1.167 174.266 175.510 -0.129 0.000 1.402 597 N CA -0.784 52.212 53.050 -0.090 0.000 0.829 597 N CB 0.846 39.377 38.487 0.074 0.000 1.495 597 N HN 0.079 nan 8.380 nan 0.000 0.511 598 D N -0.129 120.116 120.400 -0.257 0.000 2.755 598 D HA 0.130 4.784 4.640 0.024 0.000 0.257 598 D C 0.450 176.923 176.300 0.288 0.000 1.291 598 D CA -0.136 53.800 54.000 -0.107 0.000 0.836 598 D CB 0.163 40.748 40.800 -0.358 0.000 1.059 598 D HN 0.714 nan 8.370 nan 0.000 0.486 599 R N 0.834 121.521 120.500 0.310 0.000 3.587 599 R HA -0.335 4.020 4.340 0.024 0.000 0.556 599 R C 1.178 177.564 176.300 0.142 0.000 0.241 599 R CA 1.585 57.897 56.100 0.353 0.000 1.724 599 R CB -1.573 28.854 30.300 0.211 0.000 0.885 599 R HN 0.161 nan 8.270 nan 0.000 0.613 600 Q N 1.379 120.921 119.800 -0.431 0.000 2.482 600 Q HA -0.016 4.338 4.340 0.024 0.000 0.209 600 Q C 1.662 177.414 176.000 -0.414 0.000 0.961 600 Q CA 1.390 56.748 55.803 -0.742 0.000 0.945 600 Q CB -0.008 28.073 28.738 -1.096 0.000 1.012 600 Q HN 0.621 nan 8.270 nan 0.000 0.515 601 F N 1.562 121.467 119.950 -0.075 0.000 2.664 601 F HA -0.112 4.430 4.527 0.024 0.000 0.297 601 F C 2.077 177.856 175.800 -0.034 0.000 1.164 601 F CA 0.904 58.931 58.000 0.044 0.000 1.472 601 F CB -0.070 39.012 39.000 0.136 0.000 1.108 601 F HN 0.397 nan 8.300 nan 0.000 0.596 602 C N -1.601 117.488 119.300 -0.352 0.000 2.618 602 C HA 0.256 4.731 4.460 0.024 0.000 0.264 602 C C 1.001 175.818 174.990 -0.289 0.000 1.334 602 C CA -0.521 58.083 59.018 -0.689 0.000 1.731 602 C CB -1.522 25.280 27.740 -1.564 0.000 1.852 602 C HN 0.177 nan 8.230 nan 0.000 0.566 603 M N 2.762 122.244 119.600 -0.197 0.000 2.103 603 M HA 0.275 4.769 4.480 0.024 0.000 0.350 603 M C -0.453 175.767 176.300 -0.133 0.000 1.100 603 M CA 0.356 55.575 55.300 -0.135 0.000 1.042 603 M CB -0.096 32.452 32.600 -0.088 0.000 1.368 603 M HN 0.379 nan 8.290 nan 0.000 0.404 604 N N 0.903 119.522 118.700 -0.134 0.000 2.305 604 N HA 0.203 4.957 4.740 0.024 0.000 0.248 604 N C 0.340 175.665 175.510 -0.308 0.000 1.290 604 N CA -0.553 52.376 53.050 -0.202 0.000 0.873 604 N CB 1.223 39.677 38.487 -0.055 0.000 1.261 604 N HN 0.640 nan 8.380 nan 0.000 0.504 605 G N 0.028 108.606 108.800 -0.371 0.000 2.476 605 G HA2 0.351 4.326 3.960 0.024 0.000 0.286 605 G HA3 0.351 4.326 3.960 0.024 0.000 0.286 605 G C 0.738 175.157 174.900 -0.802 0.000 1.177 605 G CA -0.545 44.222 45.100 -0.556 0.000 0.870 605 G HN 0.105 nan 8.290 nan 0.000 0.528 606 L N 0.141 120.908 121.223 -0.759 0.000 2.291 606 L HA 0.090 4.444 4.340 0.024 0.000 0.214 606 L C 1.053 177.290 176.870 -1.054 0.000 1.120 606 L CA 0.464 54.854 54.840 -0.750 0.000 0.799 606 L CB -0.354 41.403 42.059 -0.503 0.000 0.925 606 L HN 0.409 nan 8.230 nan 0.000 0.446 607 V N -4.781 114.422 119.914 -1.185 0.000 2.864 607 V HA 0.468 4.603 4.120 0.024 0.000 0.314 607 V C -0.170 175.512 176.094 -0.688 0.000 1.073 607 V CA -1.267 60.496 62.300 -0.895 0.000 0.956 607 V CB 1.561 32.893 31.823 -0.818 0.000 1.023 607 V HN -0.141 nan 8.190 nan 0.000 0.435 608 F N 1.541 121.418 119.950 -0.122 0.000 2.435 608 F HA 0.574 5.116 4.527 0.024 0.000 0.316 608 F C 1.972 177.717 175.800 -0.093 0.000 1.220 608 F CA 0.510 58.541 58.000 0.051 0.000 1.241 608 F CB 0.788 39.824 39.000 0.059 0.000 1.234 608 F HN 0.763 nan 8.300 nan 0.000 0.569 609 A N 0.606 123.533 122.820 0.178 0.000 1.986 609 A HA -0.240 4.095 4.320 0.024 0.000 0.220 609 A C 1.621 179.194 177.584 -0.019 0.000 1.171 609 A CA 2.007 54.089 52.037 0.076 0.000 0.640 609 A CB -1.020 18.054 19.000 0.124 0.000 0.811 609 A HN 0.799 nan 8.150 nan 0.000 0.451 610 D N -3.146 117.258 120.400 0.007 0.000 2.328 610 D HA 0.140 4.794 4.640 0.024 0.000 0.226 610 D C 0.722 177.016 176.300 -0.010 0.000 1.066 610 D CA 0.093 54.066 54.000 -0.044 0.000 0.861 610 D CB -0.047 40.722 40.800 -0.051 0.000 0.912 610 D HN 0.234 nan 8.370 nan 0.000 0.521 611 R N -1.981 118.519 120.500 -0.001 0.000 3.728 611 R HA -0.121 4.234 4.340 0.024 0.000 0.478 611 R C -0.212 176.099 176.300 0.019 0.000 0.932 611 R CA 1.127 57.220 56.100 -0.011 0.000 1.317 611 R CB -3.130 27.198 30.300 0.046 0.000 1.987 611 R HN 0.255 nan 8.270 nan 0.000 0.509 612 T N 2.674 117.280 114.554 0.087 0.000 2.916 612 T HA 0.328 4.692 4.350 0.024 0.000 0.303 612 T C -2.301 172.524 174.700 0.209 0.000 1.025 612 T CA -0.559 61.621 62.100 0.134 0.000 1.142 612 T CB 0.974 69.915 68.868 0.122 0.000 0.947 612 T HN -0.079 nan 8.240 nan 0.000 0.544 613 P HA 0.234 nan 4.420 nan 0.000 0.277 613 P C -0.138 177.241 177.300 0.132 0.000 1.240 613 P CA -0.404 62.717 63.100 0.034 0.000 0.798 613 P CB 0.512 32.220 31.700 0.013 0.000 0.979 614 H N 2.043 120.949 119.070 -0.273 0.000 2.508 614 H HA 0.124 4.694 4.556 0.024 0.000 0.358 614 H C -1.301 173.924 175.328 -0.171 0.000 1.212 614 H CA -1.886 53.958 56.048 -0.340 0.000 1.356 614 H CB 0.382 29.903 29.762 -0.401 0.000 1.525 614 H HN 0.330 nan 8.280 nan 0.000 0.578 615 P HA -0.136 nan 4.420 nan 0.000 0.220 615 P C 1.128 178.428 177.300 0.001 0.000 1.148 615 P CA 1.303 64.395 63.100 -0.013 0.000 0.803 615 P CB 0.020 31.709 31.700 -0.019 0.000 0.782 616 A N -0.479 122.343 122.820 0.004 0.000 2.076 616 A HA -0.177 4.157 4.320 0.024 0.000 0.220 616 A C 2.051 179.580 177.584 -0.092 0.000 1.160 616 A CA 1.144 53.145 52.037 -0.060 0.000 0.653 616 A CB -1.568 17.373 19.000 -0.099 0.000 0.801 616 A HN 0.156 nan 8.150 nan 0.000 0.455 617 L N -0.550 120.634 121.223 -0.064 0.000 2.079 617 L HA -0.125 4.229 4.340 0.024 0.000 0.210 617 L C 2.508 179.416 176.870 0.064 0.000 1.081 617 L CA 2.671 57.508 54.840 -0.005 0.000 0.752 617 L CB -0.937 41.118 42.059 -0.006 0.000 0.896 617 L HN 0.382 nan 8.230 nan 0.000 0.433 618 T N -1.831 112.767 114.554 0.074 0.000 2.951 618 T HA -0.170 4.195 4.350 0.024 0.000 0.268 618 T C 1.784 176.592 174.700 0.179 0.000 1.073 618 T CA 1.319 63.520 62.100 0.168 0.000 1.134 618 T CB -0.086 68.869 68.868 0.144 0.000 0.884 618 T HN 0.464 nan 8.240 nan 0.000 0.479 619 E N 0.760 121.004 120.200 0.072 0.000 2.106 619 E HA 0.107 4.471 4.350 0.024 0.000 0.192 619 E C 2.173 178.779 176.600 0.011 0.000 0.984 619 E CA 1.256 57.704 56.400 0.080 0.000 0.806 619 E CB -0.571 29.144 29.700 0.024 0.000 0.750 619 E HN 0.527 nan 8.360 nan 0.000 0.458 620 A N 1.047 123.758 122.820 -0.182 0.000 1.877 620 A HA -0.227 4.107 4.320 0.024 0.000 0.216 620 A C 2.165 179.627 177.584 -0.204 0.000 1.186 620 A CA 1.907 53.774 52.037 -0.284 0.000 0.620 620 A CB -0.635 18.204 19.000 -0.269 0.000 0.822 620 A HN 0.257 nan 8.150 nan 0.000 0.443 621 K N -1.307 119.052 120.400 -0.068 0.000 2.044 621 K HA -0.304 4.030 4.320 0.024 0.000 0.210 621 K C 2.074 178.576 176.600 -0.164 0.000 1.049 621 K CA 2.113 58.378 56.287 -0.036 0.000 0.927 621 K CB -0.341 32.303 32.500 0.239 0.000 0.713 621 K HN 0.653 nan 8.250 nan 0.000 0.443 622 H N 0.312 119.198 119.070 -0.306 0.000 2.326 622 H HA -0.016 4.554 4.556 0.024 0.000 0.301 622 H C 1.925 176.983 175.328 -0.450 0.000 1.081 622 H CA 1.741 57.406 56.048 -0.638 0.000 1.334 622 H CB 0.113 29.557 29.762 -0.529 0.000 1.385 622 H HN 0.235 nan 8.280 nan 0.000 0.504 623 Q N 0.137 119.707 119.800 -0.383 0.000 2.297 623 Q HA -0.064 4.290 4.340 0.024 0.000 0.204 623 Q C 1.339 176.814 176.000 -0.876 0.000 0.962 623 Q CA 0.976 56.467 55.803 -0.520 0.000 0.879 623 Q CB 0.141 28.726 28.738 -0.256 0.000 0.947 623 Q HN 0.697 nan 8.270 nan 0.000 0.462 624 Q N 0.181 119.425 119.800 -0.926 0.000 2.247 624 Q HA 0.088 4.442 4.340 0.024 0.000 0.205 624 Q C -0.134 175.321 176.000 -0.909 0.000 0.896 624 Q CA -0.210 54.889 55.803 -1.173 0.000 0.950 624 Q CB 0.376 28.468 28.738 -1.077 0.000 1.054 624 Q HN 0.358 nan 8.270 nan 0.000 0.482 625 Q N -0.548 118.868 119.800 -0.640 0.000 2.428 625 Q HA -0.028 4.327 4.340 0.024 0.000 0.276 625 Q C -0.132 175.540 176.000 -0.547 0.000 1.059 625 Q CA 0.422 55.991 55.803 -0.390 0.000 0.923 625 Q CB 0.482 29.066 28.738 -0.257 0.000 1.283 625 Q HN 0.303 nan 8.270 nan 0.000 0.447 626 F N 0.258 119.996 119.950 -0.354 0.000 2.727 626 F HA 0.240 4.781 4.527 0.023 0.000 0.302 626 F C -0.217 175.047 175.800 -0.894 0.000 1.097 626 F CA -0.029 57.528 58.000 -0.737 0.000 1.330 626 F CB 0.565 38.816 39.000 -1.248 0.000 1.084 626 F HN 0.298 nan 8.300 nan 0.000 0.578 627 F N 0.355 120.232 119.950 -0.122 0.000 2.529 627 F HA 0.493 5.035 4.527 0.025 0.000 0.320 627 F C -0.093 175.374 175.800 -0.555 0.000 1.118 627 F CA -1.064 56.760 58.000 -0.293 0.000 0.915 627 F CB 1.352 40.226 39.000 -0.209 0.000 1.161 627 F HN -0.332 nan 8.300 nan 0.000 0.445 628 Q N 3.041 122.574 119.800 -0.444 0.000 2.306 628 Q HA 0.594 4.948 4.340 0.024 0.000 0.265 628 Q C -1.319 174.362 176.000 -0.531 0.000 1.022 628 Q CA -0.638 54.944 55.803 -0.368 0.000 0.853 628 Q CB 2.862 31.511 28.738 -0.149 0.000 1.327 628 Q HN 0.555 nan 8.270 nan 0.000 0.449 629 F N -0.023 120.057 119.950 0.217 0.000 2.588 629 F HA 0.613 5.154 4.527 0.024 0.000 0.314 629 F C 0.314 176.341 175.800 0.378 0.000 1.069 629 F CA -0.849 57.347 58.000 0.326 0.000 0.931 629 F CB 2.146 41.473 39.000 0.546 0.000 1.260 629 F HN 0.156 nan 8.300 nan 0.000 0.465 630 R N 1.114 121.892 120.500 0.463 0.000 2.771 630 R HA 0.734 5.088 4.340 0.024 0.000 0.274 630 R C -2.051 174.277 176.300 0.047 0.000 0.987 630 R CA -1.239 55.059 56.100 0.330 0.000 0.908 630 R CB 2.911 33.312 30.300 0.169 0.000 1.213 630 R HN 0.543 nan 8.270 nan 0.000 0.468 631 L N 0.411 121.533 121.223 -0.168 0.000 2.365 631 L HA 0.568 4.922 4.340 0.024 0.000 0.273 631 L C -1.091 175.618 176.870 -0.268 0.000 1.000 631 L CA 0.071 54.606 54.840 -0.509 0.000 0.819 631 L CB 2.169 43.512 42.059 -1.193 0.000 1.284 631 L HN 0.538 nan 8.230 nan 0.000 0.418 632 S N 3.719 119.285 115.700 -0.224 0.000 2.721 632 S HA 0.654 5.139 4.470 0.024 0.000 0.264 632 S C 0.320 174.829 174.600 -0.152 0.000 1.161 632 S CA 0.235 58.348 58.200 -0.145 0.000 1.113 632 S CB 0.139 63.289 63.200 -0.084 0.000 1.079 632 S HN 1.581 nan 8.310 nan 0.000 0.479 633 G N 4.480 113.187 108.800 -0.154 0.000 2.601 633 G HA2 -0.363 3.612 3.960 0.024 0.000 0.306 633 G HA3 -0.363 3.612 3.960 0.024 0.000 0.306 633 G C 0.591 175.380 174.900 -0.184 0.000 1.172 633 G CA 0.989 46.003 45.100 -0.144 0.000 0.966 633 G HN 0.696 nan 8.290 nan 0.000 0.542 634 Q N 1.235 120.934 119.800 -0.168 0.000 2.319 634 Q HA 0.350 4.704 4.340 0.024 0.000 0.202 634 Q C 0.713 176.581 176.000 -0.220 0.000 0.896 634 Q CA 1.030 56.712 55.803 -0.201 0.000 0.942 634 Q CB 0.355 28.998 28.738 -0.160 0.000 1.083 634 Q HN 0.596 nan 8.270 nan 0.000 0.510 635 T N 0.488 114.928 114.554 -0.191 0.000 2.744 635 T HA 0.489 4.853 4.350 0.024 0.000 0.291 635 T C -0.150 174.427 174.700 -0.205 0.000 0.957 635 T CA -0.335 61.664 62.100 -0.168 0.000 1.002 635 T CB 0.856 69.658 68.868 -0.109 0.000 0.919 635 T HN 0.059 nan 8.240 nan 0.000 0.468 636 I N 2.891 123.354 120.570 -0.178 0.000 2.354 636 I HA 0.295 4.479 4.170 0.024 0.000 0.292 636 I C 0.482 176.600 176.117 0.001 0.000 0.989 636 I CA -0.532 60.685 61.300 -0.138 0.000 1.188 636 I CB 1.320 39.260 38.000 -0.100 0.000 1.342 636 I HN 0.595 nan 8.210 nan 0.000 0.457 637 E N 6.869 127.102 120.200 0.055 0.000 2.113 637 E HA 0.437 4.801 4.350 0.024 0.000 0.273 637 E C -1.548 175.145 176.600 0.154 0.000 0.924 637 E CA -0.612 55.839 56.400 0.085 0.000 0.764 637 E CB 1.545 31.279 29.700 0.056 0.000 1.104 637 E HN 0.349 nan 8.360 nan 0.000 0.406 638 V N 4.190 124.184 119.914 0.133 0.000 2.394 638 V HA 0.332 4.467 4.120 0.024 0.000 0.282 638 V C 0.056 176.175 176.094 0.042 0.000 1.031 638 V CA -0.487 61.859 62.300 0.077 0.000 0.881 638 V CB 1.646 33.553 31.823 0.139 0.000 0.982 638 V HN 0.716 nan 8.190 nan 0.000 0.451 639 T N 3.217 117.755 114.554 -0.026 0.000 2.841 639 T HA 0.368 4.733 4.350 0.024 0.000 0.283 639 T C -0.166 174.535 174.700 0.002 0.000 1.000 639 T CA -0.284 61.816 62.100 0.000 0.000 0.977 639 T CB 1.668 70.512 68.868 -0.040 0.000 0.979 639 T HN 0.681 nan 8.240 nan 0.000 0.446 640 S N 1.500 117.205 115.700 0.008 0.000 2.499 640 S HA 0.245 4.729 4.470 0.024 0.000 0.279 640 S C 0.733 175.201 174.600 -0.222 0.000 1.219 640 S CA -0.548 57.580 58.200 -0.121 0.000 1.062 640 S CB 0.601 63.801 63.200 -0.001 0.000 0.978 640 S HN 0.722 nan 8.310 nan 0.000 0.489 641 E N 2.957 122.918 120.200 -0.398 0.000 2.476 641 E HA 0.090 4.454 4.350 0.024 0.000 0.196 641 E C -0.738 175.672 176.600 -0.317 0.000 1.029 641 E CA -0.111 56.098 56.400 -0.319 0.000 0.896 641 E CB 0.282 29.785 29.700 -0.329 0.000 1.012 641 E HN 0.691 nan 8.360 nan 0.000 0.475 642 Y N 0.551 120.732 120.300 -0.199 0.000 2.497 642 Y HA -0.032 4.532 4.550 0.023 0.000 0.334 642 Y C 1.463 177.194 175.900 -0.281 0.000 1.199 642 Y CA 0.064 58.042 58.100 -0.203 0.000 1.425 642 Y CB 0.733 39.058 38.460 -0.224 0.000 1.291 642 Y HN -0.011 nan 8.280 nan 0.000 0.562 643 L N 1.618 122.666 121.223 -0.293 0.000 2.463 643 L HA 0.040 4.395 4.340 0.024 0.000 0.219 643 L C 0.685 177.134 176.870 -0.700 0.000 1.088 643 L CA 0.725 55.152 54.840 -0.688 0.000 0.849 643 L CB 0.012 41.249 42.059 -1.370 0.000 1.012 643 L HN 0.679 nan 8.230 nan 0.000 0.468 644 F N -0.627 119.337 119.950 0.024 0.000 2.658 644 F HA 0.198 4.738 4.527 0.022 0.000 0.293 644 F C 1.260 177.050 175.800 -0.016 0.000 0.986 644 F CA -0.809 57.183 58.000 -0.014 0.000 1.182 644 F CB 0.368 39.341 39.000 -0.046 0.000 0.965 644 F HN -0.158 nan 8.300 nan 0.000 0.659 645 R N 0.612 121.162 120.500 0.083 0.000 2.536 645 R HA 0.382 4.736 4.340 0.024 0.000 0.279 645 R C -0.621 175.681 176.300 0.003 0.000 1.001 645 R CA -0.573 55.530 56.100 0.006 0.000 1.027 645 R CB 0.698 30.889 30.300 -0.182 0.000 1.096 645 R HN 0.123 nan 8.270 nan 0.000 0.502 646 H N 0.447 119.513 119.070 -0.006 0.000 2.547 646 H HA 0.049 4.620 4.556 0.024 0.000 0.362 646 H C 0.191 175.549 175.328 0.049 0.000 1.181 646 H CA 0.137 56.213 56.048 0.047 0.000 1.376 646 H CB 1.616 31.409 29.762 0.052 0.000 1.488 646 H HN 0.769 nan 8.280 nan 0.000 0.583 647 S N 1.051 116.899 115.700 0.248 0.000 4.175 647 S HA -0.058 4.427 4.470 0.024 0.000 0.193 647 S C 0.331 175.040 174.600 0.182 0.000 1.373 647 S CA -0.620 57.742 58.200 0.270 0.000 0.908 647 S CB -0.808 62.613 63.200 0.367 0.000 1.547 647 S HN 0.568 nan 8.310 nan 0.000 0.440 648 D N 0.586 121.066 120.400 0.133 0.000 2.319 648 D HA 0.048 4.702 4.640 0.024 0.000 0.230 648 D C 0.347 176.689 176.300 0.071 0.000 1.094 648 D CA -0.195 53.860 54.000 0.092 0.000 0.856 648 D CB -0.327 40.511 40.800 0.063 0.000 0.915 648 D HN 0.494 nan 8.370 nan 0.000 0.517 649 N N 0.010 118.763 118.700 0.089 0.000 2.636 649 N HA 0.156 4.910 4.740 0.024 0.000 0.287 649 N C -1.541 174.034 175.510 0.107 0.000 1.817 649 N CA -0.186 52.911 53.050 0.078 0.000 0.842 649 N CB 0.315 38.840 38.487 0.063 0.000 1.353 649 N HN -0.041 nan 8.380 nan 0.000 0.500 650 E N -0.007 120.249 120.200 0.094 0.000 2.352 650 E HA 0.510 4.874 4.350 0.024 0.000 0.280 650 E C -1.311 175.321 176.600 0.053 0.000 0.930 650 E CA -0.723 55.725 56.400 0.080 0.000 0.765 650 E CB 2.166 31.892 29.700 0.044 0.000 1.219 650 E HN 0.281 nan 8.360 nan 0.000 0.434 651 L N 0.266 121.524 121.223 0.058 0.000 2.409 651 L HA 0.715 5.069 4.340 0.024 0.000 0.262 651 L C -1.485 175.444 176.870 0.098 0.000 0.992 651 L CA -1.223 53.660 54.840 0.072 0.000 0.817 651 L CB 1.488 43.594 42.059 0.077 0.000 1.350 651 L HN 0.565 nan 8.230 nan 0.000 0.411 652 L N 3.112 124.413 121.223 0.129 0.000 2.264 652 L HA 0.444 4.798 4.340 0.024 0.000 0.289 652 L C -0.399 176.614 176.870 0.238 0.000 1.044 652 L CA -0.017 54.934 54.840 0.186 0.000 0.807 652 L CB 0.623 42.803 42.059 0.201 0.000 1.192 652 L HN 0.688 nan 8.230 nan 0.000 0.425 653 H N 6.228 125.371 119.070 0.121 0.000 2.458 653 H HA 0.339 4.910 4.556 0.024 0.000 0.330 653 H C -1.627 173.773 175.328 0.120 0.000 1.111 653 H CA -0.681 55.391 56.048 0.039 0.000 1.245 653 H CB 0.951 30.701 29.762 -0.019 0.000 1.456 653 H HN 0.748 nan 8.280 nan 0.000 0.488 654 W N 5.146 126.097 121.300 -0.582 0.000 2.864 654 W HA 0.537 5.211 4.660 0.024 0.000 0.343 654 W C -1.958 174.301 176.519 -0.433 0.000 1.109 654 W CA -1.323 55.812 57.345 -0.350 0.000 1.192 654 W CB 1.433 30.816 29.460 -0.129 0.000 1.426 654 W HN 0.533 nan 8.180 nan 0.000 0.529 655 M N 3.086 122.748 119.600 0.104 0.000 2.365 655 M HA 0.569 5.063 4.480 0.024 0.000 0.287 655 M C -2.655 173.801 176.300 0.260 0.000 1.154 655 M CA -0.683 54.623 55.300 0.009 0.000 0.941 655 M CB 1.748 34.296 32.600 -0.087 0.000 1.704 655 M HN 0.192 nan 8.290 nan 0.000 0.479 656 V N 4.017 124.095 119.914 0.273 0.000 2.448 656 V HA 1.016 5.150 4.120 0.024 0.000 0.295 656 V C -0.353 175.844 176.094 0.171 0.000 1.025 656 V CA -0.068 62.387 62.300 0.259 0.000 0.859 656 V CB 1.226 33.214 31.823 0.275 0.000 0.988 656 V HN 1.114 nan 8.190 nan 0.000 0.431 657 A N 4.672 127.602 122.820 0.184 0.000 2.475 657 A HA 0.881 5.216 4.320 0.024 0.000 0.301 657 A C -1.415 176.282 177.584 0.188 0.000 1.059 657 A CA -0.632 51.486 52.037 0.134 0.000 0.710 657 A CB 1.709 20.750 19.000 0.068 0.000 1.288 657 A HN 0.838 nan 8.150 nan 0.000 0.408 658 L N 1.548 122.852 121.223 0.135 0.000 2.262 658 L HA 0.527 4.881 4.340 0.024 0.000 0.288 658 L C -0.594 176.374 176.870 0.163 0.000 1.035 658 L CA 0.256 55.191 54.840 0.158 0.000 0.820 658 L CB 0.252 42.371 42.059 0.101 0.000 1.204 658 L HN 0.754 nan 8.230 nan 0.000 0.424 659 D N 4.733 125.299 120.400 0.277 0.000 2.686 659 D HA -0.207 4.447 4.640 0.024 0.000 0.235 659 D C 1.177 177.517 176.300 0.067 0.000 1.160 659 D CA 1.466 55.617 54.000 0.251 0.000 0.645 659 D CB -1.137 39.776 40.800 0.188 0.000 1.039 659 D HN 1.187 nan 8.370 nan 0.000 0.423 660 G N -0.770 108.030 108.800 -0.001 0.000 2.284 660 G HA2 -0.374 3.600 3.960 0.024 0.000 0.247 660 G HA3 -0.374 3.600 3.960 0.024 0.000 0.247 660 G C 0.255 175.077 174.900 -0.130 0.000 1.012 660 G CA 0.542 45.531 45.100 -0.185 0.000 0.618 660 G HN 0.508 nan 8.290 nan 0.000 0.521 661 K N 2.026 122.400 120.400 -0.043 0.000 2.248 661 K HA 0.490 4.824 4.320 0.024 0.000 0.281 661 K C -2.692 173.902 176.600 -0.010 0.000 1.054 661 K CA -1.927 54.339 56.287 -0.036 0.000 0.903 661 K CB 1.625 34.119 32.500 -0.009 0.000 1.077 661 K HN 0.067 nan 8.250 nan 0.000 0.474 662 P HA -0.046 nan 4.420 nan 0.000 0.267 662 P C -0.004 177.304 177.300 0.013 0.000 1.205 662 P CA -0.049 63.044 63.100 -0.011 0.000 0.765 662 P CB 0.623 32.300 31.700 -0.038 0.000 0.828 663 L N 1.794 123.042 121.223 0.041 0.000 2.547 663 L HA 0.479 4.833 4.340 0.024 0.000 0.218 663 L C 0.752 177.660 176.870 0.063 0.000 1.048 663 L CA 0.758 55.632 54.840 0.055 0.000 0.859 663 L CB -0.011 42.095 42.059 0.078 0.000 1.128 663 L HN 0.428 nan 8.230 nan 0.000 0.483 664 A N -0.914 121.953 122.820 0.079 0.000 2.586 664 A HA 0.609 4.943 4.320 0.024 0.000 0.291 664 A C -0.883 176.647 177.584 -0.091 0.000 1.062 664 A CA 0.226 52.305 52.037 0.070 0.000 0.666 664 A CB 1.409 20.550 19.000 0.236 0.000 1.281 664 A HN 0.145 nan 8.150 nan 0.000 0.421 665 S N -0.888 114.525 115.700 -0.479 0.000 2.636 665 S HA 0.974 5.458 4.470 0.024 0.000 0.268 665 S C -0.213 173.465 174.600 -1.537 0.000 1.159 665 S CA -0.048 57.361 58.200 -1.318 0.000 0.815 665 S CB 0.962 63.772 63.200 -0.651 0.000 1.130 665 S HN 2.691 nan 8.310 nan 0.000 0.471 666 G N -0.213 107.424 108.800 -1.938 0.000 2.430 666 G HA2 0.615 4.589 3.960 0.024 0.000 0.300 666 G HA3 0.615 4.589 3.960 0.024 0.000 0.300 666 G C -2.350 172.188 174.900 -0.604 0.000 1.330 666 G CA -0.540 44.023 45.100 -0.894 0.000 0.813 666 G HN 1.109 nan 8.290 nan 0.000 0.487 667 E N -1.316 118.854 120.200 -0.050 0.000 2.356 667 E HA 0.674 5.038 4.350 0.024 0.000 0.275 667 E C -1.734 174.976 176.600 0.184 0.000 0.904 667 E CA -1.005 55.460 56.400 0.109 0.000 0.757 667 E CB 2.727 32.501 29.700 0.124 0.000 1.232 667 E HN 0.452 nan 8.360 nan 0.000 0.442 668 V N 1.885 121.920 119.914 0.201 0.000 2.638 668 V HA 0.413 4.547 4.120 0.024 0.000 0.306 668 V C -2.461 173.708 176.094 0.124 0.000 1.052 668 V CA -1.992 60.407 62.300 0.165 0.000 0.885 668 V CB 1.949 33.883 31.823 0.184 0.000 0.999 668 V HN 0.671 nan 8.190 nan 0.000 0.424 669 P HA 0.317 nan 4.420 nan 0.000 0.275 669 P C -0.838 176.510 177.300 0.080 0.000 1.228 669 P CA -0.213 62.936 63.100 0.081 0.000 0.786 669 P CB 0.748 32.489 31.700 0.069 0.000 0.927 670 L N 2.739 124.003 121.223 0.068 0.000 2.289 670 L HA 0.364 4.718 4.340 0.024 0.000 0.285 670 L C 0.212 177.138 176.870 0.094 0.000 1.049 670 L CA -0.050 54.826 54.840 0.061 0.000 0.804 670 L CB 1.133 43.185 42.059 -0.012 0.000 1.195 670 L HN 0.361 nan 8.230 nan 0.000 0.428 671 D N 3.400 123.869 120.400 0.116 0.000 2.468 671 D HA 0.310 4.964 4.640 0.024 0.000 0.272 671 D C -1.275 175.135 176.300 0.184 0.000 1.221 671 D CA -0.164 53.931 54.000 0.158 0.000 0.860 671 D CB 0.932 41.810 40.800 0.131 0.000 1.190 671 D HN 0.036 nan 8.370 nan 0.000 0.509 672 V N 1.375 121.405 119.914 0.193 0.000 2.495 672 V HA 0.845 4.980 4.120 0.024 0.000 0.298 672 V C 0.915 176.971 176.094 -0.063 0.000 1.031 672 V CA -1.193 61.185 62.300 0.129 0.000 0.871 672 V CB 1.250 33.199 31.823 0.209 0.000 0.988 672 V HN 0.545 nan 8.190 nan 0.000 0.432 673 A N 6.680 129.321 122.820 -0.297 0.000 2.366 673 A HA 0.647 4.981 4.320 0.024 0.000 0.249 673 A C -2.211 175.150 177.584 -0.372 0.000 1.084 673 A CA -1.350 50.138 52.037 -0.916 0.000 0.794 673 A CB -0.227 18.513 19.000 -0.433 0.000 1.034 673 A HN 0.694 nan 8.150 nan 0.000 0.491 674 P HA 0.016 nan 4.420 nan 0.000 0.262 674 P C -0.487 176.747 177.300 -0.110 0.000 1.182 674 P CA 0.608 63.633 63.100 -0.125 0.000 0.761 674 P CB 0.695 32.337 31.700 -0.097 0.000 0.795 675 Q N -0.912 118.831 119.800 -0.095 0.000 2.305 675 Q HA -0.164 4.190 4.340 0.024 0.000 0.203 675 Q C 0.806 176.773 176.000 -0.055 0.000 0.663 675 Q CA 1.880 57.633 55.803 -0.084 0.000 1.389 675 Q CB -2.549 26.140 28.738 -0.081 0.000 1.566 675 Q HN 0.768 nan 8.270 nan 0.000 0.755 676 G N 0.115 108.885 108.800 -0.049 0.000 2.543 676 G HA2 0.548 4.523 3.960 0.024 0.000 0.290 676 G HA3 0.548 4.523 3.960 0.024 0.000 0.290 676 G C -0.205 174.701 174.900 0.011 0.000 1.310 676 G CA -0.482 44.606 45.100 -0.020 0.000 1.025 676 G HN -0.004 nan 8.290 nan 0.000 0.502 677 K N -0.825 119.591 120.400 0.026 0.000 2.443 677 K HA 0.456 4.790 4.320 0.024 0.000 0.251 677 K C -1.059 175.574 176.600 0.056 0.000 0.972 677 K CA -0.628 55.684 56.287 0.041 0.000 0.833 677 K CB 2.609 35.126 32.500 0.028 0.000 1.317 677 K HN 0.553 nan 8.250 nan 0.000 0.441 678 Q N 2.733 122.574 119.800 0.068 0.000 2.305 678 Q HA 0.406 4.760 4.340 0.024 0.000 0.271 678 Q C -1.669 174.366 176.000 0.059 0.000 1.046 678 Q CA -0.666 55.178 55.803 0.069 0.000 0.798 678 Q CB 1.380 30.170 28.738 0.087 0.000 1.286 678 Q HN 0.524 nan 8.270 nan 0.000 0.435 679 L N 4.719 125.967 121.223 0.041 0.000 2.309 679 L HA 0.591 4.946 4.340 0.024 0.000 0.282 679 L C -0.434 176.445 176.870 0.015 0.000 1.036 679 L CA -0.736 54.117 54.840 0.022 0.000 0.806 679 L CB 1.360 43.421 42.059 0.004 0.000 1.220 679 L HN 0.605 nan 8.230 nan 0.000 0.429 680 I N 2.279 122.847 120.570 -0.004 0.000 2.447 680 I HA 0.235 4.420 4.170 0.024 0.000 0.287 680 I C -0.521 175.542 176.117 -0.089 0.000 1.023 680 I CA -0.549 60.736 61.300 -0.025 0.000 1.083 680 I CB 2.251 40.250 38.000 -0.002 0.000 1.245 680 I HN 0.518 nan 8.210 nan 0.000 0.434 681 E N 6.391 126.538 120.200 -0.088 0.000 2.167 681 E HA 0.417 4.781 4.350 0.024 0.000 0.284 681 E C -0.791 175.694 176.600 -0.192 0.000 1.016 681 E CA -0.274 56.050 56.400 -0.128 0.000 0.817 681 E CB 0.898 30.547 29.700 -0.085 0.000 1.080 681 E HN 0.400 nan 8.360 nan 0.000 0.397 682 L N 6.035 127.080 121.223 -0.295 0.000 2.417 682 L HA 0.339 4.693 4.340 0.024 0.000 0.268 682 L C -1.727 174.969 176.870 -0.289 0.000 1.158 682 L CA -1.869 52.694 54.840 -0.461 0.000 0.819 682 L CB 0.388 42.111 42.059 -0.559 0.000 1.112 682 L HN 0.449 nan 8.230 nan 0.000 0.458 683 P HA 0.008 nan 4.420 nan 0.000 0.274 683 P C -0.527 176.714 177.300 -0.098 0.000 1.260 683 P CA -0.530 62.510 63.100 -0.100 0.000 0.793 683 P CB 0.363 32.062 31.700 -0.002 0.000 1.048 684 E N 0.556 120.727 120.200 -0.049 0.000 2.465 684 E HA -0.019 4.345 4.350 0.024 0.000 0.260 684 E C -0.507 176.075 176.600 -0.029 0.000 0.980 684 E CA 0.117 56.493 56.400 -0.041 0.000 0.927 684 E CB 0.032 29.720 29.700 -0.020 0.000 0.934 684 E HN 0.315 nan 8.360 nan 0.000 0.459 685 L N 7.981 129.180 121.223 -0.040 0.000 2.375 685 L HA 0.228 4.583 4.340 0.024 0.000 0.276 685 L C -1.927 174.943 176.870 -0.001 0.000 1.162 685 L CA -1.934 52.893 54.840 -0.020 0.000 0.991 685 L CB 0.158 42.192 42.059 -0.041 0.000 1.315 685 L HN 0.312 nan 8.230 nan 0.000 0.431 686 P HA -0.042 nan 4.420 nan 0.000 0.264 686 P C -0.311 177.000 177.300 0.018 0.000 1.179 686 P CA -0.082 63.029 63.100 0.018 0.000 0.763 686 P CB 0.532 32.249 31.700 0.029 0.000 0.806 687 Q N 3.193 123.000 119.800 0.012 0.000 2.421 687 Q HA 0.276 4.630 4.340 0.024 0.000 0.255 687 Q C -1.847 174.165 176.000 0.020 0.000 1.013 687 Q CA -0.783 55.027 55.803 0.012 0.000 0.895 687 Q CB -0.196 28.546 28.738 0.007 0.000 1.271 687 Q HN 0.395 nan 8.270 nan 0.000 0.460 688 P HA 0.207 nan 4.420 nan 0.000 0.290 688 P C -1.159 176.156 177.300 0.024 0.000 1.275 688 P CA -0.488 62.629 63.100 0.028 0.000 0.841 688 P CB 1.153 32.873 31.700 0.035 0.000 1.042 689 E N 1.449 121.664 120.200 0.025 0.000 2.282 689 E HA 0.386 4.750 4.350 0.024 0.000 0.247 689 E C -0.602 176.013 176.600 0.025 0.000 1.113 689 E CA -0.104 56.309 56.400 0.022 0.000 1.095 689 E CB -0.030 29.681 29.700 0.019 0.000 1.328 689 E HN 0.484 nan 8.360 nan 0.000 0.463 690 S N -0.940 114.776 115.700 0.027 0.000 2.769 690 S HA 0.309 4.793 4.470 0.024 0.000 0.283 690 S C -0.388 174.233 174.600 0.035 0.000 0.936 690 S CA -0.859 57.359 58.200 0.031 0.000 0.893 690 S CB 0.314 63.535 63.200 0.034 0.000 1.125 690 S HN 0.398 nan 8.310 nan 0.000 0.464 691 A N 0.508 123.350 122.820 0.037 0.000 2.386 691 A HA 0.904 5.238 4.320 0.024 0.000 0.246 691 A C 1.028 178.644 177.584 0.053 0.000 1.089 691 A CA 0.522 52.583 52.037 0.040 0.000 0.790 691 A CB -0.313 18.712 19.000 0.041 0.000 1.042 691 A HN 2.601 nan 8.150 nan 0.000 0.497 692 G N -0.988 107.846 108.800 0.056 0.000 2.369 692 G HA2 0.468 4.442 3.960 0.024 0.000 0.307 692 G HA3 0.468 4.442 3.960 0.024 0.000 0.307 692 G C -1.195 173.746 174.900 0.068 0.000 1.327 692 G CA -0.133 45.017 45.100 0.083 0.000 0.963 692 G HN 1.230 nan 8.290 nan 0.000 0.590 693 Q N -0.210 119.652 119.800 0.103 0.000 2.307 693 Q HA 0.738 5.092 4.340 0.024 0.000 0.262 693 Q C -0.483 175.570 176.000 0.088 0.000 0.961 693 Q CA -0.607 55.210 55.803 0.024 0.000 0.882 693 Q CB 1.319 30.055 28.738 -0.004 0.000 1.264 693 Q HN 0.598 nan 8.270 nan 0.000 0.446 694 L N 4.103 125.322 121.223 -0.007 0.000 2.350 694 L HA 0.510 4.865 4.340 0.024 0.000 0.275 694 L C -0.785 176.088 176.870 0.006 0.000 1.099 694 L CA -0.403 54.484 54.840 0.079 0.000 0.808 694 L CB 0.751 42.832 42.059 0.037 0.000 1.149 694 L HN 0.685 nan 8.230 nan 0.000 0.442 695 W N 3.843 125.199 121.300 0.094 0.000 2.785 695 W HA 0.510 5.184 4.660 0.023 0.000 0.333 695 W C -0.897 175.718 176.519 0.160 0.000 1.062 695 W CA -0.526 56.896 57.345 0.128 0.000 1.233 695 W CB 1.682 31.239 29.460 0.162 0.000 1.413 695 W HN 0.100 nan 8.180 nan 0.000 0.489 696 L N 3.336 124.826 121.223 0.446 0.000 2.296 696 L HA 0.751 5.105 4.340 0.024 0.000 0.286 696 L C -0.291 176.869 176.870 0.482 0.000 1.023 696 L CA 0.165 55.249 54.840 0.407 0.000 0.812 696 L CB 1.153 43.425 42.059 0.357 0.000 1.223 696 L HN 0.336 nan 8.230 nan 0.000 0.421 697 T N 4.982 119.760 114.554 0.374 0.000 2.841 697 T HA 0.708 5.073 4.350 0.024 0.000 0.283 697 T C -0.674 174.193 174.700 0.278 0.000 1.000 697 T CA -0.429 61.852 62.100 0.303 0.000 0.977 697 T CB 1.656 70.648 68.868 0.208 0.000 0.979 697 T HN 0.617 nan 8.240 nan 0.000 0.446 698 V N 1.181 121.236 119.914 0.235 0.000 2.914 698 V HA 0.896 5.030 4.120 0.024 0.000 0.314 698 V C -1.099 175.081 176.094 0.142 0.000 1.084 698 V CA -1.301 61.103 62.300 0.173 0.000 0.963 698 V CB 2.033 33.918 31.823 0.104 0.000 1.025 698 V HN 0.935 nan 8.190 nan 0.000 0.432 699 R N 2.011 122.625 120.500 0.190 0.000 2.698 699 R HA 0.804 5.158 4.340 0.024 0.000 0.275 699 R C -1.845 174.600 176.300 0.242 0.000 1.001 699 R CA -0.889 55.362 56.100 0.253 0.000 0.896 699 R CB 2.441 32.885 30.300 0.239 0.000 1.218 699 R HN 0.561 nan 8.270 nan 0.000 0.462 700 V N 2.520 122.600 119.914 0.278 0.000 2.347 700 V HA 0.346 4.480 4.120 0.024 0.000 0.280 700 V C -0.249 175.962 176.094 0.195 0.000 1.021 700 V CA -0.658 61.769 62.300 0.212 0.000 0.847 700 V CB 1.569 33.500 31.823 0.181 0.000 0.990 700 V HN 0.470 nan 8.190 nan 0.000 0.444 701 V N 5.134 125.132 119.914 0.139 0.000 2.628 701 V HA 0.422 4.556 4.120 0.024 0.000 0.306 701 V C -0.216 175.947 176.094 0.113 0.000 1.045 701 V CA -0.721 61.644 62.300 0.108 0.000 0.905 701 V CB 2.040 33.897 31.823 0.056 0.000 0.997 701 V HN 0.882 nan 8.190 nan 0.000 0.436 702 Q N 5.287 125.165 119.800 0.130 0.000 2.368 702 Q HA 0.292 4.646 4.340 0.024 0.000 0.256 702 Q C -1.823 174.210 176.000 0.055 0.000 0.980 702 Q CA -1.759 54.112 55.803 0.114 0.000 0.887 702 Q CB 2.025 30.847 28.738 0.139 0.000 1.221 702 Q HN 0.462 nan 8.270 nan 0.000 0.458 703 P HA -0.128 nan 4.420 nan 0.000 0.221 703 P C -0.565 176.733 177.300 -0.003 0.000 1.150 703 P CA 1.035 64.144 63.100 0.015 0.000 0.800 703 P CB 0.424 32.134 31.700 0.016 0.000 0.787 704 N N -0.677 118.016 118.700 -0.012 0.000 2.456 704 N HA 0.465 5.220 4.740 0.024 0.000 0.296 704 N C -0.381 175.080 175.510 -0.082 0.000 1.102 704 N CA -0.720 52.308 53.050 -0.037 0.000 0.924 704 N CB 1.098 39.567 38.487 -0.030 0.000 1.186 704 N HN -0.091 nan 8.380 nan 0.000 0.492 705 A N 0.663 123.427 122.820 -0.093 0.000 2.406 705 A HA 0.470 4.804 4.320 0.024 0.000 0.243 705 A C 0.534 177.997 177.584 -0.202 0.000 1.082 705 A CA 0.020 51.966 52.037 -0.151 0.000 0.786 705 A CB -0.005 18.930 19.000 -0.108 0.000 1.029 705 A HN 0.709 nan 8.150 nan 0.000 0.495 706 T N -3.043 111.308 114.554 -0.338 0.000 2.693 706 T HA 0.626 4.991 4.350 0.024 0.000 0.278 706 T C 0.964 175.507 174.700 -0.261 0.000 0.994 706 T CA 0.048 61.945 62.100 -0.340 0.000 1.033 706 T CB 1.040 69.496 68.868 -0.686 0.000 1.342 706 T HN 1.369 nan 8.240 nan 0.000 0.538 707 A N -0.136 122.623 122.820 -0.102 0.000 2.121 707 A HA 0.104 4.438 4.320 0.024 0.000 0.218 707 A C 1.578 179.284 177.584 0.203 0.000 1.154 707 A CA 1.076 53.153 52.037 0.065 0.000 0.679 707 A CB -0.914 18.166 19.000 0.132 0.000 0.795 707 A HN 0.900 nan 8.150 nan 0.000 0.458 708 W N -0.948 120.416 121.300 0.107 0.000 2.714 708 W HA 0.417 5.092 4.660 0.025 0.000 0.353 708 W C -0.228 176.265 176.519 -0.043 0.000 0.999 708 W CA 0.481 57.864 57.345 0.063 0.000 1.629 708 W CB -1.054 28.432 29.460 0.044 0.000 1.106 708 W HN 0.393 nan 8.180 nan 0.000 0.545 709 S N -0.079 115.205 115.700 -0.693 0.000 2.596 709 S HA 0.481 4.966 4.470 0.024 0.000 0.270 709 S C -1.103 173.270 174.600 -0.379 0.000 1.155 709 S CA -0.771 57.055 58.200 -0.623 0.000 0.827 709 S CB 2.758 65.206 63.200 -1.253 0.000 1.130 709 S HN 0.087 nan 8.310 nan 0.000 0.467 710 E N 0.390 120.475 120.200 -0.191 0.000 2.280 710 E HA 0.637 5.001 4.350 0.024 0.000 0.264 710 E C 0.116 176.675 176.600 -0.068 0.000 1.064 710 E CA -0.944 55.399 56.400 -0.095 0.000 0.900 710 E CB 1.342 31.030 29.700 -0.020 0.000 1.123 710 E HN 0.873 nan 8.360 nan 0.000 0.418 711 A N 0.687 123.477 122.820 -0.051 0.000 2.531 711 A HA 0.390 4.724 4.320 0.024 0.000 0.236 711 A C 1.125 178.710 177.584 0.001 0.000 1.062 711 A CA 0.820 52.839 52.037 -0.030 0.000 0.760 711 A CB -0.492 18.491 19.000 -0.028 0.000 0.995 711 A HN 0.818 nan 8.150 nan 0.000 0.501 712 G N 0.451 109.261 108.800 0.016 0.000 2.195 712 G HA2 -0.243 3.732 3.960 0.024 0.000 0.246 712 G HA3 -0.243 3.732 3.960 0.024 0.000 0.246 712 G C 0.270 175.201 174.900 0.051 0.000 0.984 712 G CA 0.637 45.747 45.100 0.017 0.000 0.633 712 G HN 1.725 nan 8.290 nan 0.000 0.525 713 H N 0.874 119.941 119.070 -0.005 0.000 3.094 713 H HA 0.398 4.969 4.556 0.024 0.000 0.320 713 H C 0.753 176.149 175.328 0.112 0.000 1.000 713 H CA 0.500 56.573 56.048 0.042 0.000 1.413 713 H CB 0.112 29.873 29.762 -0.003 0.000 1.405 713 H HN 0.323 nan 8.280 nan 0.000 0.586 714 I N 4.680 125.008 120.570 -0.403 0.000 2.315 714 I HA 0.034 4.218 4.170 0.024 0.000 0.291 714 I C 0.890 176.897 176.117 -0.183 0.000 1.006 714 I CA 0.056 61.261 61.300 -0.159 0.000 1.265 714 I CB 1.447 39.403 38.000 -0.073 0.000 1.387 714 I HN 0.780 nan 8.210 nan 0.000 0.475 715 S N 4.264 120.074 115.700 0.184 0.000 2.512 715 S HA 0.570 5.055 4.470 0.024 0.000 0.216 715 S C 0.366 175.265 174.600 0.498 0.000 1.006 715 S CA -0.058 58.388 58.200 0.410 0.000 0.915 715 S CB 0.578 64.132 63.200 0.590 0.000 0.824 715 S HN 0.711 nan 8.310 nan 0.000 0.497 716 A N 0.518 123.669 122.820 0.551 0.000 2.605 716 A HA 0.663 4.998 4.320 0.024 0.000 0.294 716 A C -1.786 176.189 177.584 0.651 0.000 1.062 716 A CA -0.877 51.469 52.037 0.514 0.000 0.682 716 A CB 0.355 19.698 19.000 0.572 0.000 1.278 716 A HN 0.952 nan 8.150 nan 0.000 0.410 717 W N -0.129 121.359 121.300 0.313 0.000 3.066 717 W HA 0.813 5.488 4.660 0.025 0.000 0.330 717 W C -1.192 175.374 176.519 0.079 0.000 1.253 717 W CA -0.624 56.792 57.345 0.118 0.000 1.187 717 W CB 1.199 30.704 29.460 0.075 0.000 1.434 717 W HN 0.997 nan 8.180 nan 0.000 0.572 718 Q N 0.992 120.816 119.800 0.040 0.000 2.527 718 Q HA 0.450 4.804 4.340 0.024 0.000 0.280 718 Q C -1.531 174.298 176.000 -0.285 0.000 0.977 718 Q CA -0.468 55.196 55.803 -0.232 0.000 0.837 718 Q CB 2.422 30.837 28.738 -0.539 0.000 1.454 718 Q HN 0.618 nan 8.270 nan 0.000 0.387 719 Q N 1.218 120.780 119.800 -0.396 0.000 2.451 719 Q HA 0.650 5.004 4.340 0.024 0.000 0.281 719 Q C -1.120 174.693 176.000 -0.313 0.000 1.099 719 Q CA -0.750 55.003 55.803 -0.083 0.000 0.806 719 Q CB 2.583 31.483 28.738 0.270 0.000 1.419 719 Q HN 0.590 nan 8.270 nan 0.000 0.427 720 W N 0.654 122.109 121.300 0.258 0.000 3.107 720 W HA 0.441 5.115 4.660 0.023 0.000 0.331 720 W C -0.421 176.006 176.519 -0.152 0.000 1.204 720 W CA -0.655 56.734 57.345 0.073 0.000 1.184 720 W CB 1.787 31.256 29.460 0.015 0.000 1.421 720 W HN 0.427 nan 8.180 nan 0.000 0.544 721 R N 1.548 121.891 120.500 -0.261 0.000 2.441 721 R HA 0.525 4.879 4.340 0.024 0.000 0.284 721 R C 0.388 176.534 176.300 -0.257 0.000 1.070 721 R CA -0.160 55.531 56.100 -0.682 0.000 1.047 721 R CB 1.122 30.977 30.300 -0.742 0.000 1.016 721 R HN 0.303 nan 8.270 nan 0.000 0.477 722 L N 1.091 122.174 121.223 -0.233 0.000 2.836 722 L HA 0.561 4.915 4.340 0.024 0.000 0.216 722 L C 0.516 177.304 176.870 -0.137 0.000 1.861 722 L CA -1.154 53.612 54.840 -0.124 0.000 2.145 722 L CB -0.042 41.981 42.059 -0.061 0.000 2.671 722 L HN 0.591 nan 8.230 nan 0.000 0.594 723 A N 0.261 123.028 122.820 -0.089 0.000 2.466 723 A HA 0.203 4.537 4.320 0.024 0.000 0.238 723 A C -0.295 177.241 177.584 -0.081 0.000 1.074 723 A CA 0.301 52.293 52.037 -0.076 0.000 0.774 723 A CB 0.110 19.083 19.000 -0.045 0.000 1.015 723 A HN 0.638 nan 8.150 nan 0.000 0.498 724 E N 0.632 120.791 120.200 -0.068 0.000 2.266 724 E HA 0.348 4.712 4.350 0.024 0.000 0.268 724 E C -1.470 175.117 176.600 -0.023 0.000 0.879 724 E CA -0.727 55.641 56.400 -0.053 0.000 0.762 724 E CB 1.010 30.670 29.700 -0.067 0.000 1.199 724 E HN 0.701 nan 8.360 nan 0.000 0.422 725 N N 4.795 123.493 118.700 -0.003 0.000 2.524 725 N HA 0.272 5.026 4.740 0.024 0.000 0.261 725 N C -0.611 174.907 175.510 0.014 0.000 0.998 725 N CA -0.359 52.694 53.050 0.005 0.000 0.915 725 N CB 1.250 39.744 38.487 0.011 0.000 1.187 725 N HN 0.451 nan 8.380 nan 0.000 0.507 726 L N 0.712 121.942 121.223 0.012 0.000 2.461 726 L HA 0.119 4.474 4.340 0.024 0.000 0.272 726 L C 1.324 178.209 176.870 0.026 0.000 1.197 726 L CA 0.093 54.946 54.840 0.022 0.000 0.836 726 L CB 0.475 42.545 42.059 0.019 0.000 1.105 726 L HN 0.363 nan 8.230 nan 0.000 0.477 727 S N 1.269 116.989 115.700 0.034 0.000 2.505 727 S HA 0.256 4.740 4.470 0.024 0.000 0.276 727 S C 0.482 175.099 174.600 0.030 0.000 1.274 727 S CA -0.784 57.437 58.200 0.034 0.000 1.053 727 S CB 0.748 63.973 63.200 0.042 0.000 0.919 727 S HN 0.467 nan 8.310 nan 0.000 0.490 728 V N 2.328 122.257 119.914 0.024 0.000 3.276 728 V HA 0.371 4.505 4.120 0.024 0.000 0.319 728 V C 0.402 176.508 176.094 0.020 0.000 1.427 728 V CA -0.052 62.261 62.300 0.021 0.000 1.102 728 V CB -0.435 31.398 31.823 0.017 0.000 1.020 728 V HN 0.828 nan 8.190 nan 0.000 0.456 729 T N 1.220 115.787 114.554 0.022 0.000 2.728 729 T HA 0.705 5.070 4.350 0.024 0.000 0.296 729 T C -0.197 174.515 174.700 0.020 0.000 0.940 729 T CA -0.579 61.534 62.100 0.020 0.000 1.013 729 T CB 0.936 69.817 68.868 0.021 0.000 0.912 729 T HN 0.305 nan 8.240 nan 0.000 0.484 730 L N 4.849 126.082 121.223 0.017 0.000 2.601 730 L HA 0.195 4.549 4.340 0.024 0.000 0.277 730 L C -0.696 176.181 176.870 0.013 0.000 1.219 730 L CA -1.049 53.799 54.840 0.014 0.000 0.915 730 L CB -1.104 40.962 42.059 0.012 0.000 1.160 730 L HN 0.400 nan 8.230 nan 0.000 0.494 731 P HA -0.102 nan 4.420 nan 0.000 0.206 731 P C -0.082 177.216 177.300 -0.003 0.000 1.142 731 P CA 1.607 64.710 63.100 0.006 0.000 0.946 731 P CB 0.058 31.760 31.700 0.004 0.000 0.777 732 A N -2.647 120.165 122.820 -0.013 0.000 1.466 732 A HA 0.488 4.822 4.320 0.024 0.000 0.232 732 A C -0.448 177.106 177.584 -0.049 0.000 0.829 732 A CA -0.496 51.527 52.037 -0.023 0.000 0.563 732 A CB -0.921 18.062 19.000 -0.029 0.000 0.755 732 A HN 0.429 nan 8.150 nan 0.000 0.326 733 A N 2.701 125.506 122.820 -0.026 0.000 2.573 733 A HA 0.488 4.822 4.320 0.024 0.000 0.250 733 A C 1.068 178.611 177.584 -0.067 0.000 1.049 733 A CA 0.893 52.917 52.037 -0.021 0.000 0.767 733 A CB -0.570 18.438 19.000 0.013 0.000 0.965 733 A HN 2.207 nan 8.150 nan 0.000 0.514 734 S N 2.496 118.154 115.700 -0.070 0.000 2.549 734 S HA 0.119 4.604 4.470 0.024 0.000 0.283 734 S C 0.688 175.279 174.600 -0.014 0.000 1.320 734 S CA 0.180 58.315 58.200 -0.108 0.000 1.058 734 S CB 0.048 63.219 63.200 -0.049 0.000 0.882 734 S HN 0.739 nan 8.310 nan 0.000 0.498 735 H N 1.654 120.740 119.070 0.026 0.000 2.421 735 H HA 0.182 4.752 4.556 0.024 0.000 0.298 735 H C 1.034 176.377 175.328 0.026 0.000 1.087 735 H CA 0.869 56.931 56.048 0.024 0.000 1.330 735 H CB 0.123 29.899 29.762 0.023 0.000 1.388 735 H HN 0.808 nan 8.280 nan 0.000 0.526 736 A N 0.620 123.510 122.820 0.117 0.000 2.564 736 A HA 0.571 4.906 4.320 0.024 0.000 0.288 736 A C -1.328 176.293 177.584 0.061 0.000 1.164 736 A CA -0.789 51.299 52.037 0.085 0.000 0.712 736 A CB 1.271 20.325 19.000 0.091 0.000 1.303 736 A HN 0.231 nan 8.150 nan 0.000 0.418 737 I N 0.143 120.750 120.570 0.061 0.000 2.436 737 I HA 0.690 4.875 4.170 0.024 0.000 0.289 737 I C -2.758 173.402 176.117 0.072 0.000 1.010 737 I CA -2.196 59.134 61.300 0.049 0.000 1.098 737 I CB 2.087 40.107 38.000 0.033 0.000 1.266 737 I HN 0.316 nan 8.210 nan 0.000 0.434 738 P HA 0.121 nan 4.420 nan 0.000 0.272 738 P C -1.316 176.052 177.300 0.113 0.000 1.223 738 P CA 0.121 63.279 63.100 0.097 0.000 0.784 738 P CB 0.325 32.038 31.700 0.022 0.000 0.923 739 H N 2.094 121.197 119.070 0.056 0.000 2.472 739 H HA 0.442 5.012 4.556 0.024 0.000 0.338 739 H C -1.282 174.079 175.328 0.056 0.000 1.133 739 H CA -0.900 55.174 56.048 0.044 0.000 1.216 739 H CB 1.322 31.112 29.762 0.048 0.000 1.497 739 H HN 0.235 nan 8.280 nan 0.000 0.500 740 L N 4.356 125.218 121.223 -0.600 0.000 2.287 740 L HA 0.314 4.668 4.340 0.024 0.000 0.287 740 L C -0.729 175.873 176.870 -0.447 0.000 1.022 740 L CA -0.118 54.512 54.840 -0.350 0.000 0.814 740 L CB 1.533 43.438 42.059 -0.257 0.000 1.217 740 L HN 0.546 nan 8.230 nan 0.000 0.420 741 T N 3.714 118.244 114.554 -0.040 0.000 2.756 741 T HA 0.424 4.788 4.350 0.024 0.000 0.290 741 T C -0.146 174.645 174.700 0.150 0.000 0.985 741 T CA -0.238 61.931 62.100 0.115 0.000 0.955 741 T CB 0.718 69.713 68.868 0.213 0.000 0.930 741 T HN 0.693 nan 8.240 nan 0.000 0.451 742 T N 3.330 117.970 114.554 0.144 0.000 2.829 742 T HA 0.662 5.027 4.350 0.024 0.000 0.282 742 T C 0.126 174.890 174.700 0.107 0.000 0.990 742 T CA -0.655 61.574 62.100 0.215 0.000 1.028 742 T CB 1.080 70.088 68.868 0.233 0.000 0.951 742 T HN 0.700 nan 8.240 nan 0.000 0.460 743 S N 1.936 117.659 115.700 0.039 0.000 2.661 743 S HA 0.500 4.985 4.470 0.024 0.000 0.285 743 S C 0.767 175.324 174.600 -0.071 0.000 1.138 743 S CA -0.863 57.334 58.200 -0.005 0.000 0.855 743 S CB 1.508 64.710 63.200 0.003 0.000 1.136 743 S HN 0.437 nan 8.310 nan 0.000 0.484 744 E N 0.721 120.889 120.200 -0.053 0.000 2.058 744 E HA -0.145 4.219 4.350 0.024 0.000 0.194 744 E C 1.595 178.123 176.600 -0.119 0.000 0.997 744 E CA 1.905 58.261 56.400 -0.073 0.000 0.801 744 E CB -0.534 29.142 29.700 -0.041 0.000 0.746 744 E HN 0.796 nan 8.360 nan 0.000 0.450 745 M N -0.629 118.914 119.600 -0.095 0.000 2.441 745 M HA 0.306 4.801 4.480 0.024 0.000 0.244 745 M C -0.283 175.932 176.300 -0.142 0.000 1.122 745 M CA 0.146 55.384 55.300 -0.104 0.000 1.041 745 M CB 0.442 33.014 32.600 -0.047 0.000 1.438 745 M HN -0.307 nan 8.290 nan 0.000 0.484 746 D N -0.323 119.973 120.400 -0.173 0.000 2.602 746 D HA 0.424 5.078 4.640 0.024 0.000 0.236 746 D C -1.468 174.739 176.300 -0.155 0.000 1.209 746 D CA -0.305 53.617 54.000 -0.129 0.000 0.831 746 D CB 2.165 42.985 40.800 0.033 0.000 1.478 746 D HN 0.081 nan 8.370 nan 0.000 0.438 747 F N 0.961 120.995 119.950 0.140 0.000 2.402 747 F HA 0.375 4.917 4.527 0.024 0.000 0.355 747 F C 0.131 176.068 175.800 0.229 0.000 1.123 747 F CA -0.736 57.340 58.000 0.127 0.000 1.021 747 F CB 1.301 40.337 39.000 0.061 0.000 1.160 747 F HN 0.057 nan 8.300 nan 0.000 0.451 748 C N 4.553 124.071 119.300 0.364 0.000 2.411 748 C HA 0.747 5.221 4.460 0.024 0.000 0.330 748 C C -0.177 174.998 174.990 0.308 0.000 1.224 748 C CA -0.877 58.340 59.018 0.330 0.000 1.770 748 C CB 1.054 28.927 27.740 0.222 0.000 2.297 748 C HN 0.590 nan 8.230 nan 0.000 0.507 749 I N 2.474 123.278 120.570 0.391 0.000 2.465 749 I HA 0.455 4.639 4.170 0.024 0.000 0.291 749 I C -0.538 175.856 176.117 0.462 0.000 1.014 749 I CA -0.097 61.418 61.300 0.359 0.000 1.093 749 I CB 1.693 39.872 38.000 0.298 0.000 1.267 749 I HN 0.611 nan 8.210 nan 0.000 0.431 750 E N 5.978 126.398 120.200 0.366 0.000 2.238 750 E HA 0.764 5.128 4.350 0.024 0.000 0.267 750 E C -1.381 175.413 176.600 0.323 0.000 0.887 750 E CA -0.678 55.913 56.400 0.319 0.000 0.769 750 E CB 2.615 32.422 29.700 0.179 0.000 1.187 750 E HN 0.363 nan 8.360 nan 0.000 0.416 751 L N 2.390 123.817 121.223 0.340 0.000 2.555 751 L HA 0.616 4.970 4.340 0.024 0.000 0.264 751 L C 0.313 177.289 176.870 0.177 0.000 0.972 751 L CA 0.541 55.548 54.840 0.278 0.000 0.876 751 L CB 1.000 43.272 42.059 0.354 0.000 1.216 751 L HN 0.677 nan 8.230 nan 0.000 0.415 752 G N 4.385 113.246 108.800 0.103 0.000 2.583 752 G HA2 -0.401 3.574 3.960 0.024 0.000 0.292 752 G HA3 -0.401 3.574 3.960 0.024 0.000 0.292 752 G C 0.421 175.333 174.900 0.020 0.000 1.203 752 G CA 0.514 45.649 45.100 0.058 0.000 0.987 752 G HN 1.293 nan 8.290 nan 0.000 0.554 753 N N 1.317 120.015 118.700 -0.003 0.000 2.313 753 N HA 0.175 4.929 4.740 0.024 0.000 0.207 753 N C 0.285 175.748 175.510 -0.078 0.000 1.141 753 N CA 0.623 53.650 53.050 -0.038 0.000 0.830 753 N CB 0.247 38.710 38.487 -0.039 0.000 1.008 753 N HN 0.730 nan 8.380 nan 0.000 0.481 754 K N 0.093 120.432 120.400 -0.103 0.000 2.208 754 K HA 0.494 4.829 4.320 0.024 0.000 0.247 754 K C -0.578 175.839 176.600 -0.306 0.000 0.953 754 K CA -0.684 55.420 56.287 -0.304 0.000 0.837 754 K CB 2.338 34.536 32.500 -0.503 0.000 1.131 754 K HN -0.028 nan 8.250 nan 0.000 0.431 755 R N 1.482 121.730 120.500 -0.420 0.000 2.651 755 R HA 0.388 4.742 4.340 0.024 0.000 0.278 755 R C -1.588 174.640 176.300 -0.120 0.000 1.010 755 R CA -0.646 55.399 56.100 -0.091 0.000 0.896 755 R CB 1.333 31.604 30.300 -0.049 0.000 1.211 755 R HN 0.615 nan 8.270 nan 0.000 0.456 756 W N 2.701 124.116 121.300 0.192 0.000 2.819 756 W HA 0.343 5.017 4.660 0.024 0.000 0.337 756 W C -0.617 175.987 176.519 0.142 0.000 1.077 756 W CA -0.622 56.772 57.345 0.082 0.000 1.226 756 W CB 2.254 31.747 29.460 0.055 0.000 1.419 756 W HN 0.414 nan 8.180 nan 0.000 0.502 757 Q N 2.541 122.449 119.800 0.180 0.000 2.310 757 Q HA 0.404 4.758 4.340 0.024 0.000 0.270 757 Q C -1.974 173.964 176.000 -0.102 0.000 1.025 757 Q CA -0.488 55.423 55.803 0.179 0.000 0.772 757 Q CB 1.471 30.382 28.738 0.288 0.000 1.253 757 Q HN 0.368 nan 8.270 nan 0.000 0.450 758 F N 2.928 122.967 119.950 0.148 0.000 2.388 758 F HA 0.319 4.860 4.527 0.024 0.000 0.358 758 F C 0.644 176.480 175.800 0.061 0.000 1.122 758 F CA -0.767 57.288 58.000 0.093 0.000 1.056 758 F CB 1.219 40.279 39.000 0.100 0.000 1.155 758 F HN 0.480 nan 8.300 nan 0.000 0.461 759 N N 3.742 122.540 118.700 0.164 0.000 2.470 759 N HA 0.075 4.829 4.740 0.024 0.000 0.268 759 N C 0.943 176.472 175.510 0.032 0.000 1.136 759 N CA -0.095 53.004 53.050 0.081 0.000 0.961 759 N CB 0.777 39.316 38.487 0.087 0.000 1.067 759 N HN 0.704 nan 8.380 nan 0.000 0.468 760 R N 2.467 122.912 120.500 -0.092 0.000 2.189 760 R HA -0.079 4.275 4.340 0.024 0.000 0.223 760 R C 1.517 177.764 176.300 -0.089 0.000 1.092 760 R CA 1.144 57.142 56.100 -0.171 0.000 0.989 760 R CB 0.182 30.248 30.300 -0.389 0.000 0.876 760 R HN 0.678 nan 8.270 nan 0.000 0.457 761 Q N -0.261 119.511 119.800 -0.047 0.000 2.297 761 Q HA -0.004 4.350 4.340 0.024 0.000 0.203 761 Q C 2.044 178.043 176.000 -0.002 0.000 0.931 761 Q CA 1.372 57.160 55.803 -0.025 0.000 0.885 761 Q CB 0.493 29.227 28.738 -0.007 0.000 0.991 761 Q HN 0.338 nan 8.270 nan 0.000 0.498 762 S N -1.309 114.411 115.700 0.033 0.000 2.456 762 S HA 0.139 4.623 4.470 0.024 0.000 0.224 762 S C 1.549 176.108 174.600 -0.069 0.000 1.035 762 S CA 0.645 58.889 58.200 0.073 0.000 0.940 762 S CB 0.441 63.783 63.200 0.237 0.000 0.799 762 S HN 0.443 nan 8.310 nan 0.000 0.508 763 G N 0.475 109.243 108.800 -0.053 0.000 2.143 763 G HA2 -0.213 3.761 3.960 0.024 0.000 0.249 763 G HA3 -0.213 3.761 3.960 0.024 0.000 0.249 763 G C -0.104 174.723 174.900 -0.123 0.000 0.981 763 G CA 0.297 45.344 45.100 -0.087 0.000 0.665 763 G HN 0.533 nan 8.290 nan 0.000 0.528 764 F N -1.292 118.837 119.950 0.299 0.000 2.556 764 F HA 0.674 5.215 4.527 0.024 0.000 0.327 764 F C 0.499 176.331 175.800 0.052 0.000 1.059 764 F CA -1.449 56.684 58.000 0.223 0.000 0.953 764 F CB 1.439 40.518 39.000 0.131 0.000 1.227 764 F HN 0.010 nan 8.300 nan 0.000 0.478 765 L N 1.956 123.236 121.223 0.096 0.000 2.485 765 L HA 0.161 4.516 4.340 0.024 0.000 0.279 765 L C 0.951 177.721 176.870 -0.166 0.000 1.124 765 L CA 0.452 55.018 54.840 -0.457 0.000 0.888 765 L CB 0.242 41.997 42.059 -0.506 0.000 1.217 765 L HN 0.697 nan 8.230 nan 0.000 0.464 766 S N 2.421 118.024 115.700 -0.161 0.000 2.503 766 S HA 0.251 4.735 4.470 0.024 0.000 0.215 766 S C 0.585 175.060 174.600 -0.208 0.000 1.003 766 S CA -0.168 57.975 58.200 -0.096 0.000 0.910 766 S CB 0.095 63.288 63.200 -0.010 0.000 0.790 766 S HN 0.662 nan 8.310 nan 0.000 0.514 767 Q N 0.113 119.721 119.800 -0.320 0.000 2.426 767 Q HA 0.621 4.975 4.340 0.024 0.000 0.278 767 Q C -1.846 173.773 176.000 -0.636 0.000 1.007 767 Q CA -0.375 55.085 55.803 -0.572 0.000 0.850 767 Q CB 1.840 30.084 28.738 -0.824 0.000 1.427 767 Q HN 0.299 nan 8.270 nan 0.000 0.391 768 M N 2.759 121.885 119.600 -0.791 0.000 2.378 768 M HA 0.518 5.012 4.480 0.024 0.000 0.289 768 M C -2.026 173.910 176.300 -0.607 0.000 1.136 768 M CA -0.075 54.856 55.300 -0.615 0.000 0.917 768 M CB 1.634 33.844 32.600 -0.649 0.000 1.669 768 M HN 0.779 nan 8.290 nan 0.000 0.461 769 W N 5.217 126.273 121.300 -0.406 0.000 2.736 769 W HA 0.541 5.215 4.660 0.024 0.000 0.335 769 W C -0.958 175.368 176.519 -0.321 0.000 1.059 769 W CA -0.726 56.450 57.345 -0.283 0.000 1.226 769 W CB 1.740 31.077 29.460 -0.205 0.000 1.416 769 W HN 0.510 nan 8.180 nan 0.000 0.505 770 I N 3.137 123.698 120.570 -0.014 0.000 2.330 770 I HA 0.345 4.529 4.170 0.024 0.000 0.286 770 I C 0.906 177.014 176.117 -0.016 0.000 1.025 770 I CA 0.533 61.789 61.300 -0.074 0.000 1.197 770 I CB 0.620 38.558 38.000 -0.103 0.000 1.358 770 I HN 0.751 nan 8.210 nan 0.000 0.467 771 G N 6.058 114.841 108.800 -0.027 0.000 2.531 771 G HA2 -0.336 3.638 3.960 0.024 0.000 0.274 771 G HA3 -0.336 3.638 3.960 0.024 0.000 0.274 771 G C 0.327 175.232 174.900 0.008 0.000 1.159 771 G CA 0.477 45.563 45.100 -0.023 0.000 0.969 771 G HN 0.773 nan 8.290 nan 0.000 0.554 772 D N 0.770 121.184 120.400 0.022 0.000 2.342 772 D HA 0.235 4.890 4.640 0.024 0.000 0.221 772 D C 0.403 176.824 176.300 0.201 0.000 1.101 772 D CA 0.202 54.243 54.000 0.069 0.000 0.837 772 D CB 0.244 41.055 40.800 0.019 0.000 0.938 772 D HN 0.310 nan 8.370 nan 0.000 0.508 773 K N 1.275 121.766 120.400 0.152 0.000 2.234 773 K HA 0.275 4.609 4.320 0.024 0.000 0.277 773 K C 0.224 176.829 176.600 0.008 0.000 1.038 773 K CA -0.435 55.902 56.287 0.083 0.000 0.888 773 K CB 1.710 34.213 32.500 0.005 0.000 1.091 773 K HN 0.075 nan 8.250 nan 0.000 0.467 774 K N 2.066 122.393 120.400 -0.121 0.000 2.382 774 K HA 0.024 4.358 4.320 0.024 0.000 0.275 774 K C 1.069 177.495 176.600 -0.290 0.000 1.009 774 K CA 0.014 56.016 56.287 -0.476 0.000 0.970 774 K CB 0.667 32.929 32.500 -0.396 0.000 0.934 774 K HN 0.339 nan 8.250 nan 0.000 0.479 775 Q N 1.549 121.152 119.800 -0.328 0.000 2.317 775 Q HA 0.191 4.546 4.340 0.024 0.000 0.220 775 Q C 0.027 175.950 176.000 -0.128 0.000 0.873 775 Q CA 0.339 56.068 55.803 -0.124 0.000 0.936 775 Q CB 0.577 29.297 28.738 -0.029 0.000 1.105 775 Q HN 0.496 nan 8.270 nan 0.000 0.520 776 L N 0.448 121.524 121.223 -0.244 0.000 2.342 776 L HA 0.404 4.758 4.340 0.024 0.000 0.271 776 L C 0.910 177.647 176.870 -0.221 0.000 1.008 776 L CA -0.405 54.311 54.840 -0.208 0.000 0.818 776 L CB 1.699 43.623 42.059 -0.225 0.000 1.296 776 L HN -0.069 nan 8.230 nan 0.000 0.427 777 L N 0.118 121.205 121.223 -0.227 0.000 2.537 777 L HA 0.244 4.598 4.340 0.024 0.000 0.224 777 L C 0.169 176.922 176.870 -0.195 0.000 1.065 777 L CA 0.640 55.353 54.840 -0.213 0.000 0.860 777 L CB 0.747 42.661 42.059 -0.242 0.000 1.086 777 L HN 0.603 nan 8.230 nan 0.000 0.482 778 T N -0.023 114.394 114.554 -0.229 0.000 2.909 778 T HA 0.418 4.782 4.350 0.024 0.000 0.299 778 T C -2.558 172.071 174.700 -0.118 0.000 1.073 778 T CA -1.115 60.901 62.100 -0.140 0.000 0.999 778 T CB 2.563 71.335 68.868 -0.159 0.000 1.098 778 T HN -0.264 nan 8.240 nan 0.000 0.477 779 P HA 0.203 nan 4.420 nan 0.000 0.271 779 P C -0.744 176.508 177.300 -0.079 0.000 1.233 779 P CA -0.715 62.345 63.100 -0.067 0.000 0.789 779 P CB 0.415 32.105 31.700 -0.016 0.000 0.951 780 L N 2.592 123.805 121.223 -0.017 0.000 2.283 780 L HA 0.293 4.647 4.340 0.024 0.000 0.287 780 L C 0.019 176.821 176.870 -0.112 0.000 1.073 780 L CA 0.526 55.390 54.840 0.039 0.000 0.822 780 L CB -0.527 41.673 42.059 0.236 0.000 1.186 780 L HN 0.272 nan 8.230 nan 0.000 0.436 781 R N 2.860 123.200 120.500 -0.266 0.000 2.795 781 R HA 0.460 4.815 4.340 0.024 0.000 0.275 781 R C -0.990 175.162 176.300 -0.246 0.000 0.981 781 R CA -1.043 54.707 56.100 -0.582 0.000 0.917 781 R CB 1.336 31.166 30.300 -0.784 0.000 1.202 781 R HN 0.550 nan 8.270 nan 0.000 0.469 782 D N 1.218 121.550 120.400 -0.114 0.000 2.378 782 D HA 0.045 4.699 4.640 0.024 0.000 0.238 782 D C -0.376 175.574 176.300 -0.583 0.000 1.180 782 D CA 0.378 54.187 54.000 -0.318 0.000 0.895 782 D CB 0.630 41.195 40.800 -0.391 0.000 1.192 782 D HN 0.245 nan 8.370 nan 0.000 0.438 783 Q N 0.735 119.983 119.800 -0.919 0.000 2.289 783 Q HA 0.352 4.706 4.340 0.024 0.000 0.270 783 Q C -1.380 173.919 176.000 -1.169 0.000 1.038 783 Q CA -0.576 54.747 55.803 -0.800 0.000 0.812 783 Q CB 0.827 29.292 28.738 -0.455 0.000 1.300 783 Q HN 0.552 nan 8.270 nan 0.000 0.427 784 F N 0.894 120.463 119.950 -0.635 0.000 2.729 784 F HA 0.220 4.762 4.527 0.024 0.000 0.315 784 F C 0.429 175.791 175.800 -0.731 0.000 1.102 784 F CA -0.165 57.337 58.000 -0.829 0.000 1.204 784 F CB 1.614 39.774 39.000 -1.399 0.000 1.052 784 F HN 0.474 nan 8.300 nan 0.000 0.551 785 T N -0.941 113.311 114.554 -0.503 0.000 2.907 785 T HA 0.764 5.128 4.350 0.024 0.000 0.290 785 T C -0.587 173.860 174.700 -0.423 0.000 1.066 785 T CA -1.019 60.715 62.100 -0.610 0.000 1.012 785 T CB 2.736 71.192 68.868 -0.687 0.000 1.184 785 T HN 0.226 nan 8.240 nan 0.000 0.522 786 R N -0.116 120.169 120.500 -0.358 0.000 2.837 786 R HA 0.786 5.141 4.340 0.024 0.000 0.271 786 R C -0.751 175.593 176.300 0.073 0.000 0.993 786 R CA -1.257 54.767 56.100 -0.128 0.000 0.931 786 R CB 1.542 31.778 30.300 -0.107 0.000 1.206 786 R HN 0.820 nan 8.270 nan 0.000 0.474 787 A N 3.252 126.104 122.820 0.053 0.000 2.491 787 A HA 0.284 4.618 4.320 0.024 0.000 0.261 787 A C -1.993 175.654 177.584 0.106 0.000 1.101 787 A CA -1.301 50.772 52.037 0.059 0.000 0.772 787 A CB -0.445 18.534 19.000 -0.035 0.000 1.043 787 A HN 0.554 nan 8.150 nan 0.000 0.501 788 P HA 0.114 nan 4.420 nan 0.000 0.264 788 P C -0.199 177.213 177.300 0.187 0.000 1.193 788 P CA 0.338 63.595 63.100 0.261 0.000 0.763 788 P CB 0.407 32.299 31.700 0.320 0.000 0.810 789 L N 2.559 123.860 121.223 0.130 0.000 2.475 789 L HA 0.129 4.483 4.340 0.024 0.000 0.253 789 L C 1.854 178.748 176.870 0.039 0.000 1.198 789 L CA -0.373 54.482 54.840 0.026 0.000 0.814 789 L CB -0.040 41.970 42.059 -0.081 0.000 1.134 789 L HN 0.313 nan 8.230 nan 0.000 0.478 790 D N 0.362 120.724 120.400 -0.062 0.000 2.149 790 D HA -0.159 4.495 4.640 0.024 0.000 0.198 790 D C 1.582 177.811 176.300 -0.118 0.000 0.990 790 D CA 1.388 55.272 54.000 -0.192 0.000 0.839 790 D CB 0.041 40.653 40.800 -0.313 0.000 0.948 790 D HN 0.470 nan 8.370 nan 0.000 0.460 791 N N 0.948 119.597 118.700 -0.085 0.000 2.396 791 N HA -0.097 4.657 4.740 0.024 0.000 0.180 791 N C 1.117 176.641 175.510 0.023 0.000 1.028 791 N CA 0.624 53.651 53.050 -0.038 0.000 0.893 791 N CB -0.089 38.367 38.487 -0.051 0.000 0.967 791 N HN 0.238 nan 8.380 nan 0.000 0.440 792 D N 0.381 120.808 120.400 0.045 0.000 2.234 792 D HA 0.056 4.710 4.640 0.024 0.000 0.205 792 D C 1.977 178.321 176.300 0.074 0.000 0.962 792 D CA 0.355 54.413 54.000 0.097 0.000 0.855 792 D CB 0.209 41.138 40.800 0.215 0.000 0.951 792 D HN 0.312 nan 8.370 nan 0.000 0.500 793 I N 0.253 120.856 120.570 0.053 0.000 2.400 793 I HA 0.045 4.229 4.170 0.024 0.000 0.248 793 I C 1.816 177.957 176.117 0.040 0.000 1.109 793 I CA 0.666 61.986 61.300 0.032 0.000 1.425 793 I CB -0.377 37.611 38.000 -0.020 0.000 1.094 793 I HN 0.059 nan 8.210 nan 0.000 0.425 794 G N 1.313 110.153 108.800 0.066 0.000 2.574 794 G HA2 -0.340 3.634 3.960 0.024 0.000 0.286 794 G HA3 -0.340 3.634 3.960 0.024 0.000 0.286 794 G C 0.658 175.726 174.900 0.280 0.000 1.212 794 G CA 0.767 45.970 45.100 0.172 0.000 0.979 794 G HN 0.510 nan 8.290 nan 0.000 0.557 795 V N -1.876 118.141 119.914 0.172 0.000 3.596 795 V HA 0.587 4.722 4.120 0.024 0.000 0.289 795 V C 1.346 177.464 176.094 0.040 0.000 1.336 795 V CA 1.236 63.589 62.300 0.088 0.000 1.137 795 V CB 0.006 31.780 31.823 -0.082 0.000 0.966 795 V HN 1.231 nan 8.190 nan 0.000 0.428 796 S N 1.114 116.836 115.700 0.037 0.000 2.558 796 S HA 0.249 4.733 4.470 0.024 0.000 0.288 796 S C -0.106 174.504 174.600 0.015 0.000 1.318 796 S CA 0.214 58.419 58.200 0.010 0.000 1.056 796 S CB 0.353 63.556 63.200 0.005 0.000 0.853 796 S HN 0.827 nan 8.310 nan 0.000 0.505 797 E N 1.360 121.563 120.200 0.006 0.000 2.340 797 E HA 0.585 4.949 4.350 0.024 0.000 0.273 797 E C 0.400 177.008 176.600 0.013 0.000 0.891 797 E CA -0.413 55.995 56.400 0.013 0.000 0.757 797 E CB 1.473 31.177 29.700 0.006 0.000 1.231 797 E HN 0.615 nan 8.360 nan 0.000 0.439 798 A N 1.417 124.251 122.820 0.022 0.000 1.978 798 A HA -0.178 4.156 4.320 0.024 0.000 0.220 798 A C 1.926 179.519 177.584 0.015 0.000 1.170 798 A CA 2.347 54.397 52.037 0.021 0.000 0.636 798 A CB -0.694 18.323 19.000 0.029 0.000 0.810 798 A HN 0.613 nan 8.150 nan 0.000 0.448 799 T N -3.362 111.200 114.554 0.014 0.000 3.100 799 T HA 0.149 4.513 4.350 0.024 0.000 0.253 799 T C 0.747 175.444 174.700 -0.004 0.000 1.118 799 T CA 0.494 62.598 62.100 0.007 0.000 1.058 799 T CB -0.155 68.719 68.868 0.010 0.000 0.953 799 T HN 0.369 nan 8.240 nan 0.000 0.515 800 R N 1.153 121.649 120.500 -0.008 0.000 3.107 800 R HA 0.246 4.600 4.340 0.024 0.000 0.224 800 R C -1.259 175.029 176.300 -0.020 0.000 1.734 800 R CA -0.603 55.485 56.100 -0.020 0.000 1.303 800 R CB 0.133 30.414 30.300 -0.033 0.000 1.570 800 R HN 0.207 nan 8.270 nan 0.000 0.606 801 I N 2.039 122.600 120.570 -0.016 0.000 2.710 801 I HA -0.047 4.137 4.170 0.024 0.000 0.286 801 I C 0.601 176.700 176.117 -0.030 0.000 1.181 801 I CA 0.425 61.715 61.300 -0.017 0.000 1.430 801 I CB 0.420 38.412 38.000 -0.013 0.000 1.367 801 I HN 0.451 nan 8.210 nan 0.000 0.577 802 D N 9.374 129.753 120.400 -0.034 0.000 2.467 802 D HA 0.273 4.927 4.640 0.024 0.000 0.220 802 D C -1.721 174.539 176.300 -0.067 0.000 1.103 802 D CA -2.209 51.761 54.000 -0.049 0.000 0.886 802 D CB 1.491 42.265 40.800 -0.043 0.000 1.025 802 D HN 0.182 nan 8.370 nan 0.000 0.514 803 P HA -0.118 nan 4.420 nan 0.000 0.223 803 P C 0.957 178.172 177.300 -0.142 0.000 1.144 803 P CA 0.731 63.778 63.100 -0.090 0.000 0.783 803 P CB 0.197 31.852 31.700 -0.074 0.000 0.771 804 N N -0.407 118.203 118.700 -0.151 0.000 2.446 804 N HA 0.010 4.764 4.740 0.024 0.000 0.179 804 N C 0.464 175.796 175.510 -0.297 0.000 1.054 804 N CA -0.136 52.782 53.050 -0.220 0.000 0.905 804 N CB 0.007 38.393 38.487 -0.169 0.000 0.973 804 N HN -0.024 nan 8.380 nan 0.000 0.448 805 A N 0.326 123.018 122.820 -0.214 0.000 2.483 805 A HA -0.007 4.327 4.320 0.024 0.000 0.238 805 A C 0.537 177.928 177.584 -0.323 0.000 1.070 805 A CA -0.302 51.611 52.037 -0.208 0.000 0.770 805 A CB -0.131 18.817 19.000 -0.086 0.000 1.008 805 A HN 0.467 nan 8.150 nan 0.000 0.497 806 W N 1.438 122.494 121.300 -0.405 0.000 2.338 806 W HA -0.149 4.525 4.660 0.023 0.000 0.304 806 W C 2.209 178.176 176.519 -0.920 0.000 1.212 806 W CA 1.597 58.437 57.345 -0.841 0.000 1.264 806 W CB -0.361 28.458 29.460 -1.068 0.000 1.142 806 W HN 0.550 nan 8.180 nan 0.000 0.512 807 V N 0.909 120.709 119.914 -0.190 0.000 2.392 807 V HA -0.258 3.876 4.120 0.024 0.000 0.249 807 V C 2.099 178.274 176.094 0.136 0.000 1.059 807 V CA 2.079 64.472 62.300 0.154 0.000 1.051 807 V CB -0.303 31.647 31.823 0.211 0.000 0.658 807 V HN 0.084 nan 8.190 nan 0.000 0.455 808 E N -0.098 120.090 120.200 -0.020 0.000 2.152 808 E HA -0.142 4.222 4.350 0.024 0.000 0.192 808 E C 2.324 178.890 176.600 -0.056 0.000 0.983 808 E CA 0.870 57.260 56.400 -0.017 0.000 0.818 808 E CB -0.264 29.403 29.700 -0.055 0.000 0.758 808 E HN 0.624 nan 8.360 nan 0.000 0.467 809 R N -0.137 120.253 120.500 -0.182 0.000 2.075 809 R HA -0.101 4.253 4.340 0.024 0.000 0.232 809 R C 2.257 178.492 176.300 -0.109 0.000 1.126 809 R CA 1.231 57.201 56.100 -0.217 0.000 0.963 809 R CB -0.160 29.895 30.300 -0.408 0.000 0.858 809 R HN 0.228 nan 8.270 nan 0.000 0.435 810 W N 1.507 122.779 121.300 -0.048 0.000 2.381 810 W HA -0.052 4.623 4.660 0.024 0.000 0.301 810 W C 1.928 178.413 176.519 -0.056 0.000 1.205 810 W CA 0.648 57.864 57.345 -0.215 0.000 1.285 810 W CB -0.647 28.813 29.460 -0.001 0.000 1.133 810 W HN 0.092 nan 8.180 nan 0.000 0.521 811 K N 0.175 120.796 120.400 0.368 0.000 2.026 811 K HA -0.116 4.218 4.320 0.024 0.000 0.208 811 K C 2.292 178.953 176.600 0.103 0.000 1.048 811 K CA 1.912 58.377 56.287 0.297 0.000 0.929 811 K CB -0.635 31.988 32.500 0.204 0.000 0.713 811 K HN -0.024 nan 8.250 nan 0.000 0.439 812 A N 1.190 124.040 122.820 0.051 0.000 1.978 812 A HA -0.134 4.200 4.320 0.024 0.000 0.220 812 A C 2.234 179.811 177.584 -0.011 0.000 1.170 812 A CA 1.911 53.959 52.037 0.019 0.000 0.636 812 A CB -0.631 18.371 19.000 0.004 0.000 0.810 812 A HN 0.363 nan 8.150 nan 0.000 0.448 813 A N -2.050 120.740 122.820 -0.051 0.000 2.167 813 A HA 0.385 4.719 4.320 0.024 0.000 0.214 813 A C 1.879 179.389 177.584 -0.124 0.000 1.151 813 A CA 1.313 53.327 52.037 -0.039 0.000 0.735 813 A CB -0.845 18.107 19.000 -0.080 0.000 0.802 813 A HN 1.914 nan 8.150 nan 0.000 0.467 814 G N -1.754 106.859 108.800 -0.312 0.000 2.141 814 G HA2 -0.299 3.675 3.960 0.024 0.000 0.242 814 G HA3 -0.299 3.675 3.960 0.024 0.000 0.242 814 G C 0.600 175.509 174.900 0.015 0.000 0.982 814 G CA 0.650 45.368 45.100 -0.636 0.000 0.662 814 G HN 0.738 nan 8.290 nan 0.000 0.527 815 H N -1.351 117.707 119.070 -0.019 0.000 2.387 815 H HA -0.111 4.459 4.556 0.024 0.000 0.299 815 H C 2.136 177.441 175.328 -0.038 0.000 1.099 815 H CA 1.651 57.701 56.048 0.002 0.000 1.315 815 H CB 0.064 29.761 29.762 -0.107 0.000 1.380 815 H HN 0.611 nan 8.280 nan 0.000 0.513 816 Y N 0.110 120.541 120.300 0.219 0.000 2.544 816 Y HA -0.051 4.513 4.550 0.024 0.000 0.286 816 Y C 2.000 177.987 175.900 0.145 0.000 1.141 816 Y CA 0.152 58.340 58.100 0.147 0.000 1.299 816 Y CB 0.531 39.061 38.460 0.116 0.000 1.030 816 Y HN 0.167 nan 8.280 nan 0.000 0.543 817 Q N -0.274 119.693 119.800 0.277 0.000 2.317 817 Q HA 0.296 4.651 4.340 0.024 0.000 0.220 817 Q C 0.792 176.973 176.000 0.302 0.000 0.873 817 Q CA 0.152 56.109 55.803 0.258 0.000 0.936 817 Q CB 0.253 29.136 28.738 0.241 0.000 1.105 817 Q HN 0.267 nan 8.270 nan 0.000 0.520 818 A N 2.492 125.516 122.820 0.340 0.000 2.540 818 A HA 0.089 4.423 4.320 0.024 0.000 0.239 818 A C 0.042 177.916 177.584 0.484 0.000 1.061 818 A CA 0.298 52.598 52.037 0.439 0.000 0.758 818 A CB 0.050 19.354 19.000 0.507 0.000 0.991 818 A HN 0.176 nan 8.150 nan 0.000 0.502 819 E N 1.520 121.912 120.200 0.319 0.000 2.212 819 E HA 0.587 4.952 4.350 0.024 0.000 0.268 819 E C -0.384 176.122 176.600 -0.156 0.000 0.902 819 E CA -0.904 55.599 56.400 0.173 0.000 0.779 819 E CB 1.669 31.447 29.700 0.131 0.000 1.172 819 E HN 0.728 nan 8.360 nan 0.000 0.409 820 A N 1.932 124.546 122.820 -0.344 0.000 2.492 820 A HA 0.443 4.777 4.320 0.024 0.000 0.254 820 A C -0.069 177.362 177.584 -0.254 0.000 1.091 820 A CA -0.008 51.597 52.037 -0.719 0.000 0.768 820 A CB 0.026 18.824 19.000 -0.337 0.000 1.028 820 A HN 0.638 nan 8.150 nan 0.000 0.498 821 A N 2.954 125.626 122.820 -0.247 0.000 2.303 821 A HA 0.585 4.920 4.320 0.024 0.000 0.320 821 A C -0.401 177.128 177.584 -0.092 0.000 1.192 821 A CA -0.561 51.417 52.037 -0.098 0.000 0.821 821 A CB 0.512 19.470 19.000 -0.070 0.000 1.188 821 A HN 1.165 nan 8.150 nan 0.000 0.492 822 L N 2.993 124.156 121.223 -0.101 0.000 2.367 822 L HA 0.351 4.706 4.340 0.024 0.000 0.275 822 L C 0.490 177.246 176.870 -0.189 0.000 1.129 822 L CA 0.315 55.004 54.840 -0.252 0.000 0.839 822 L CB 0.474 42.395 42.059 -0.230 0.000 1.133 822 L HN 0.778 nan 8.230 nan 0.000 0.453 823 L N 3.070 124.161 121.223 -0.220 0.000 2.500 823 L HA 0.335 4.690 4.340 0.024 0.000 0.219 823 L C 0.337 177.144 176.870 -0.105 0.000 1.057 823 L CA 0.018 54.790 54.840 -0.113 0.000 0.854 823 L CB 0.058 42.080 42.059 -0.062 0.000 1.078 823 L HN 0.719 nan 8.230 nan 0.000 0.480 824 Q N -0.285 119.423 119.800 -0.154 0.000 2.438 824 Q HA 0.315 4.669 4.340 0.024 0.000 0.272 824 Q C -2.044 173.903 176.000 -0.087 0.000 0.994 824 Q CA -0.557 55.194 55.803 -0.087 0.000 0.887 824 Q CB 3.000 31.711 28.738 -0.045 0.000 1.432 824 Q HN 0.064 nan 8.270 nan 0.000 0.392 825 C N 3.505 122.800 119.300 -0.007 0.000 2.781 825 C HA 0.755 5.230 4.460 0.024 0.000 0.348 825 C C -0.647 174.468 174.990 0.208 0.000 1.051 825 C CA 0.433 59.499 59.018 0.079 0.000 1.347 825 C CB 0.253 28.037 27.740 0.073 0.000 1.846 825 C HN 0.811 nan 8.230 nan 0.000 0.473 826 T N 2.248 116.848 114.554 0.077 0.000 2.916 826 T HA 0.917 5.281 4.350 0.024 0.000 0.292 826 T C -0.459 173.998 174.700 -0.406 0.000 1.064 826 T CA -0.369 61.703 62.100 -0.046 0.000 1.011 826 T CB 1.985 70.812 68.868 -0.068 0.000 1.152 826 T HN 1.583 nan 8.240 nan 0.000 0.510 827 A N 1.196 123.594 122.820 -0.703 0.000 2.422 827 A HA 0.745 5.080 4.320 0.024 0.000 0.302 827 A C -1.298 176.011 177.584 -0.459 0.000 1.041 827 A CA -0.732 50.807 52.037 -0.830 0.000 0.708 827 A CB 1.345 19.438 19.000 -1.512 0.000 1.257 827 A HN 0.865 nan 8.150 nan 0.000 0.414 828 D N 1.004 121.203 120.400 -0.334 0.000 2.645 828 D HA 0.575 5.229 4.640 0.024 0.000 0.228 828 D C -0.661 175.525 176.300 -0.189 0.000 1.148 828 D CA 0.039 53.909 54.000 -0.216 0.000 0.860 828 D CB 2.409 43.114 40.800 -0.158 0.000 1.548 828 D HN 0.642 nan 8.370 nan 0.000 0.460 829 T N -0.597 113.871 114.554 -0.144 0.000 2.829 829 T HA 0.718 5.083 4.350 0.024 0.000 0.282 829 T C 0.308 174.955 174.700 -0.088 0.000 0.990 829 T CA -0.668 61.359 62.100 -0.120 0.000 1.028 829 T CB 1.091 69.895 68.868 -0.106 0.000 0.951 829 T HN 0.199 nan 8.240 nan 0.000 0.460 830 L N 1.579 122.756 121.223 -0.077 0.000 2.299 830 L HA 0.668 5.022 4.340 0.024 0.000 0.268 830 L C 2.087 178.932 176.870 -0.041 0.000 1.012 830 L CA -1.472 53.335 54.840 -0.056 0.000 0.816 830 L CB 0.577 42.603 42.059 -0.054 0.000 1.355 830 L HN 0.799 nan 8.230 nan 0.000 0.457 831 A N 0.557 123.360 122.820 -0.029 0.000 1.917 831 A HA -0.194 4.140 4.320 0.024 0.000 0.219 831 A C 1.075 178.649 177.584 -0.016 0.000 1.182 831 A CA 2.286 54.312 52.037 -0.019 0.000 0.633 831 A CB -0.528 18.465 19.000 -0.012 0.000 0.819 831 A HN 0.896 nan 8.150 nan 0.000 0.448 832 D N -2.562 117.826 120.400 -0.020 0.000 2.650 832 D HA 0.567 5.221 4.640 0.024 0.000 0.265 832 D C -0.106 176.176 176.300 -0.030 0.000 1.339 832 D CA 0.628 54.618 54.000 -0.017 0.000 0.816 832 D CB -0.238 40.553 40.800 -0.014 0.000 1.091 832 D HN 0.535 nan 8.370 nan 0.000 0.483 833 A N -0.677 122.116 122.820 -0.045 0.000 2.586 833 A HA 0.625 4.959 4.320 0.024 0.000 0.290 833 A C -1.772 175.756 177.584 -0.093 0.000 1.086 833 A CA -0.687 51.309 52.037 -0.070 0.000 0.665 833 A CB 1.526 20.486 19.000 -0.068 0.000 1.279 833 A HN 0.017 nan 8.150 nan 0.000 0.423 834 V N 0.471 120.309 119.914 -0.128 0.000 2.628 834 V HA 0.681 4.816 4.120 0.024 0.000 0.306 834 V C -1.044 174.942 176.094 -0.179 0.000 1.045 834 V CA -0.506 61.699 62.300 -0.159 0.000 0.905 834 V CB 1.578 33.297 31.823 -0.172 0.000 0.997 834 V HN 0.919 nan 8.190 nan 0.000 0.436 835 L N 5.838 126.944 121.223 -0.196 0.000 2.349 835 L HA 0.642 4.996 4.340 0.024 0.000 0.278 835 L C -0.920 175.794 176.870 -0.260 0.000 0.996 835 L CA 0.004 54.734 54.840 -0.182 0.000 0.825 835 L CB 1.288 43.266 42.059 -0.135 0.000 1.243 835 L HN 0.403 nan 8.230 nan 0.000 0.412 836 I N 4.163 124.567 120.570 -0.277 0.000 2.354 836 I HA 0.420 4.604 4.170 0.024 0.000 0.292 836 I C 0.020 176.072 176.117 -0.108 0.000 0.989 836 I CA -0.201 60.878 61.300 -0.369 0.000 1.188 836 I CB 1.526 39.033 38.000 -0.822 0.000 1.342 836 I HN 0.574 nan 8.210 nan 0.000 0.457 837 T N 5.041 119.543 114.554 -0.086 0.000 2.807 837 T HA 0.669 5.033 4.350 0.024 0.000 0.279 837 T C 0.141 174.872 174.700 0.052 0.000 0.993 837 T CA -0.524 61.580 62.100 0.006 0.000 0.970 837 T CB 1.778 70.627 68.868 -0.031 0.000 0.950 837 T HN 0.773 nan 8.240 nan 0.000 0.441 838 T N -0.612 114.010 114.554 0.113 0.000 2.896 838 T HA 0.869 5.234 4.350 0.024 0.000 0.297 838 T C -1.219 173.512 174.700 0.052 0.000 1.108 838 T CA -1.065 61.080 62.100 0.075 0.000 1.004 838 T CB 1.998 70.986 68.868 0.200 0.000 1.159 838 T HN 0.787 nan 8.240 nan 0.000 0.499 839 A N 1.376 124.142 122.820 -0.089 0.000 2.455 839 A HA 0.796 5.131 4.320 0.024 0.000 0.300 839 A C -1.471 175.987 177.584 -0.210 0.000 1.040 839 A CA -0.782 51.247 52.037 -0.014 0.000 0.697 839 A CB 0.973 19.980 19.000 0.010 0.000 1.265 839 A HN 1.011 nan 8.150 nan 0.000 0.407 840 H N -0.114 119.014 119.070 0.096 0.000 2.895 840 H HA 0.767 5.337 4.556 0.024 0.000 0.373 840 H C -0.094 175.271 175.328 0.061 0.000 1.174 840 H CA 0.265 56.295 56.048 -0.030 0.000 1.144 840 H CB 2.153 31.811 29.762 -0.174 0.000 1.793 840 H HN 1.004 nan 8.280 nan 0.000 0.551 841 A N 1.784 124.631 122.820 0.044 0.000 2.350 841 A HA 0.453 4.787 4.320 0.024 0.000 0.324 841 A C -1.348 176.226 177.584 -0.017 0.000 1.118 841 A CA -0.692 51.435 52.037 0.150 0.000 0.783 841 A CB 1.170 20.223 19.000 0.089 0.000 1.236 841 A HN 0.592 nan 8.150 nan 0.000 0.457 842 W N 1.900 123.310 121.300 0.183 0.000 2.376 842 W HA 0.436 5.111 4.660 0.024 0.000 0.312 842 W C -0.475 176.074 176.519 0.050 0.000 1.060 842 W CA -0.087 57.365 57.345 0.180 0.000 1.221 842 W CB 1.734 31.357 29.460 0.271 0.000 1.281 842 W HN 0.777 nan 8.180 nan 0.000 0.456 843 Q N 1.863 121.801 119.800 0.230 0.000 2.451 843 Q HA 0.442 4.797 4.340 0.024 0.000 0.281 843 Q C -0.956 175.179 176.000 0.224 0.000 1.099 843 Q CA -0.869 55.028 55.803 0.157 0.000 0.806 843 Q CB 3.704 32.491 28.738 0.081 0.000 1.419 843 Q HN 0.390 nan 8.270 nan 0.000 0.427 844 H N 1.466 120.578 119.070 0.069 0.000 3.083 844 H HA 0.062 4.632 4.556 0.024 0.000 0.339 844 H C -1.003 174.359 175.328 0.056 0.000 1.020 844 H CA -0.235 55.862 56.048 0.081 0.000 1.360 844 H CB 1.265 31.089 29.762 0.102 0.000 1.811 844 H HN 0.648 nan 8.280 nan 0.000 0.493 845 Q N 2.917 122.422 119.800 -0.493 0.000 2.435 845 Q HA -0.181 4.173 4.340 0.024 0.000 0.312 845 Q C 1.098 177.033 176.000 -0.109 0.000 1.333 845 Q CA 1.680 57.294 55.803 -0.314 0.000 0.883 845 Q CB -1.805 26.736 28.738 -0.328 0.000 1.170 845 Q HN 1.191 nan 8.270 nan 0.000 0.443 846 G N -1.138 107.626 108.800 -0.060 0.000 2.189 846 G HA2 -0.407 3.567 3.960 0.024 0.000 0.267 846 G HA3 -0.407 3.567 3.960 0.024 0.000 0.267 846 G C 0.114 175.016 174.900 0.004 0.000 0.975 846 G CA 0.768 45.857 45.100 -0.019 0.000 0.644 846 G HN 0.598 nan 8.290 nan 0.000 0.537 847 K N 0.592 121.003 120.400 0.017 0.000 2.164 847 K HA 0.623 4.958 4.320 0.024 0.000 0.258 847 K C -0.201 176.415 176.600 0.027 0.000 0.951 847 K CA -0.365 55.938 56.287 0.026 0.000 0.844 847 K CB 1.066 33.589 32.500 0.037 0.000 1.099 847 K HN -0.029 nan 8.250 nan 0.000 0.435 848 T N 5.260 119.822 114.554 0.013 0.000 2.729 848 T HA 0.193 4.557 4.350 0.024 0.000 0.296 848 T C 1.119 175.770 174.700 -0.082 0.000 0.928 848 T CA -0.403 61.703 62.100 0.009 0.000 1.045 848 T CB 0.426 69.315 68.868 0.035 0.000 0.902 848 T HN 0.548 nan 8.240 nan 0.000 0.500 849 L N 2.484 123.572 121.223 -0.225 0.000 2.145 849 L HA 0.336 4.690 4.340 0.024 0.000 0.201 849 L C -0.033 176.333 176.870 -0.840 0.000 1.075 849 L CA 0.894 55.331 54.840 -0.671 0.000 0.773 849 L CB 0.033 41.300 42.059 -1.321 0.000 0.936 849 L HN 0.523 nan 8.230 nan 0.000 0.451 850 F N -1.127 118.783 119.950 -0.067 0.000 2.613 850 F HA 0.577 5.118 4.527 0.024 0.000 0.310 850 F C -0.466 175.433 175.800 0.164 0.000 1.085 850 F CA -0.806 57.082 58.000 -0.188 0.000 0.945 850 F CB 2.068 40.512 39.000 -0.928 0.000 1.298 850 F HN -0.326 nan 8.300 nan 0.000 0.455 851 I N 1.421 122.209 120.570 0.364 0.000 2.498 851 I HA 0.405 4.589 4.170 0.024 0.000 0.290 851 I C -0.874 175.508 176.117 0.442 0.000 1.032 851 I CA -0.550 60.998 61.300 0.413 0.000 1.073 851 I CB 2.272 40.422 38.000 0.251 0.000 1.251 851 I HN 0.554 nan 8.210 nan 0.000 0.426 852 S N 6.581 122.632 115.700 0.586 0.000 2.519 852 S HA 0.606 5.090 4.470 0.024 0.000 0.309 852 S C -0.788 174.044 174.600 0.388 0.000 1.100 852 S CA -0.682 57.821 58.200 0.504 0.000 1.059 852 S CB 0.914 64.535 63.200 0.703 0.000 1.008 852 S HN 0.570 nan 8.310 nan 0.000 0.478 853 R N 3.226 123.876 120.500 0.250 0.000 2.494 853 R HA 0.597 4.951 4.340 0.024 0.000 0.305 853 R C -0.727 175.636 176.300 0.106 0.000 0.959 853 R CA -0.787 55.416 56.100 0.172 0.000 0.864 853 R CB 1.855 32.229 30.300 0.123 0.000 1.159 853 R HN 0.565 nan 8.270 nan 0.000 0.446 854 K N 0.670 121.122 120.400 0.087 0.000 2.480 854 K HA 0.476 4.810 4.320 0.024 0.000 0.258 854 K C -0.867 175.697 176.600 -0.061 0.000 0.990 854 K CA -0.929 55.329 56.287 -0.049 0.000 0.857 854 K CB 2.562 35.001 32.500 -0.103 0.000 1.384 854 K HN 0.647 nan 8.250 nan 0.000 0.446 855 T N -1.487 112.958 114.554 -0.181 0.000 2.893 855 T HA 0.553 4.917 4.350 0.024 0.000 0.293 855 T C -1.274 173.292 174.700 -0.224 0.000 1.027 855 T CA -0.743 61.296 62.100 -0.102 0.000 0.988 855 T CB 0.542 69.381 68.868 -0.049 0.000 1.043 855 T HN 0.397 nan 8.240 nan 0.000 0.461 856 Y N 0.844 121.104 120.300 -0.067 0.000 2.331 856 Y HA 0.615 5.179 4.550 0.024 0.000 0.334 856 Y C 0.522 176.347 175.900 -0.126 0.000 0.960 856 Y CA -1.044 57.029 58.100 -0.044 0.000 1.130 856 Y CB 1.880 40.322 38.460 -0.030 0.000 1.164 856 Y HN 0.607 nan 8.280 nan 0.000 0.458 857 R N 4.592 125.109 120.500 0.029 0.000 2.360 857 R HA 0.616 4.971 4.340 0.024 0.000 0.318 857 R C -1.572 174.669 176.300 -0.097 0.000 0.950 857 R CA -0.449 55.622 56.100 -0.049 0.000 0.837 857 R CB 0.650 30.931 30.300 -0.033 0.000 1.165 857 R HN 0.779 nan 8.270 nan 0.000 0.458 858 I N 5.132 125.588 120.570 -0.190 0.000 2.339 858 I HA 0.190 4.374 4.170 0.024 0.000 0.290 858 I C -0.203 175.788 176.117 -0.210 0.000 0.994 858 I CA -0.668 60.444 61.300 -0.314 0.000 1.191 858 I CB 1.462 39.086 38.000 -0.627 0.000 1.343 858 I HN 0.680 nan 8.210 nan 0.000 0.458 859 D N 4.319 124.636 120.400 -0.138 0.000 2.592 859 D HA 0.257 4.912 4.640 0.024 0.000 0.259 859 D C 1.261 177.539 176.300 -0.036 0.000 1.144 859 D CA -0.714 53.242 54.000 -0.074 0.000 1.080 859 D CB 0.760 41.535 40.800 -0.042 0.000 1.225 859 D HN 0.458 nan 8.370 nan 0.000 0.619 860 G N -1.076 107.716 108.800 -0.014 0.000 2.501 860 G HA2 -0.218 3.756 3.960 0.024 0.000 0.220 860 G HA3 -0.218 3.756 3.960 0.024 0.000 0.220 860 G C 1.236 176.146 174.900 0.017 0.000 1.114 860 G CA 1.257 46.364 45.100 0.011 0.000 0.757 860 G HN 0.571 nan 8.290 nan 0.000 0.559 861 S N -0.933 114.770 115.700 0.004 0.000 2.562 861 S HA 0.358 4.842 4.470 0.024 0.000 0.221 861 S C 1.923 176.566 174.600 0.071 0.000 0.975 861 S CA 0.942 59.151 58.200 0.014 0.000 0.918 861 S CB -0.024 63.178 63.200 0.003 0.000 0.772 861 S HN 1.486 nan 8.310 nan 0.000 0.531 862 G N 0.110 108.966 108.800 0.093 0.000 2.199 862 G HA2 -0.268 3.706 3.960 0.024 0.000 0.254 862 G HA3 -0.268 3.706 3.960 0.024 0.000 0.254 862 G C -0.089 174.931 174.900 0.201 0.000 0.982 862 G CA 0.186 45.412 45.100 0.211 0.000 0.632 862 G HN 0.616 nan 8.290 nan 0.000 0.529 863 Q N -0.200 119.660 119.800 0.100 0.000 2.293 863 Q HA 0.693 5.048 4.340 0.024 0.000 0.251 863 Q C 0.348 176.375 176.000 0.045 0.000 0.930 863 Q CA -0.215 55.657 55.803 0.115 0.000 0.893 863 Q CB 0.992 29.783 28.738 0.089 0.000 1.215 863 Q HN 0.443 nan 8.270 nan 0.000 0.425 864 M N 2.389 122.061 119.600 0.120 0.000 2.072 864 M HA 0.553 5.048 4.480 0.024 0.000 0.331 864 M C -1.422 174.975 176.300 0.162 0.000 1.004 864 M CA -0.548 54.787 55.300 0.059 0.000 0.952 864 M CB 0.935 33.598 32.600 0.104 0.000 1.511 864 M HN 0.675 nan 8.290 nan 0.000 0.422 865 A N 6.993 129.871 122.820 0.098 0.000 2.276 865 A HA 0.657 4.992 4.320 0.024 0.000 0.300 865 A C -0.710 176.914 177.584 0.067 0.000 1.235 865 A CA -0.594 51.502 52.037 0.099 0.000 0.867 865 A CB 0.097 19.133 19.000 0.060 0.000 1.137 865 A HN 0.919 nan 8.150 nan 0.000 0.527 866 I N 2.625 123.228 120.570 0.055 0.000 2.362 866 I HA 0.313 4.497 4.170 0.024 0.000 0.289 866 I C -0.158 175.864 176.117 -0.158 0.000 0.994 866 I CA -0.203 61.038 61.300 -0.099 0.000 1.158 866 I CB 1.956 39.933 38.000 -0.038 0.000 1.315 866 I HN 0.497 nan 8.210 nan 0.000 0.451 867 T N 5.739 120.156 114.554 -0.228 0.000 2.797 867 T HA 0.546 4.910 4.350 0.024 0.000 0.279 867 T C -0.266 174.231 174.700 -0.339 0.000 0.991 867 T CA -0.489 61.471 62.100 -0.233 0.000 0.979 867 T CB 2.060 70.888 68.868 -0.067 0.000 0.943 867 T HN 0.216 nan 8.240 nan 0.000 0.444 868 V N 3.542 123.126 119.914 -0.550 0.000 2.531 868 V HA 0.459 4.593 4.120 0.024 0.000 0.301 868 V C -0.749 175.158 176.094 -0.312 0.000 1.034 868 V CA -0.882 61.104 62.300 -0.523 0.000 0.865 868 V CB 1.926 33.149 31.823 -1.001 0.000 0.995 868 V HN 0.849 nan 8.190 nan 0.000 0.424 869 D N 3.450 123.833 120.400 -0.027 0.000 2.481 869 D HA 0.549 5.204 4.640 0.024 0.000 0.246 869 D C -0.952 175.461 176.300 0.188 0.000 1.109 869 D CA -0.073 54.010 54.000 0.137 0.000 0.845 869 D CB 2.702 43.608 40.800 0.177 0.000 1.160 869 D HN 0.258 nan 8.370 nan 0.000 0.534 870 V N 2.390 122.455 119.914 0.252 0.000 2.715 870 V HA 0.325 4.459 4.120 0.024 0.000 0.310 870 V C -0.012 176.224 176.094 0.238 0.000 1.054 870 V CA -0.704 61.762 62.300 0.276 0.000 0.928 870 V CB 2.507 34.538 31.823 0.346 0.000 1.007 870 V HN 0.363 nan 8.190 nan 0.000 0.437 871 E N 2.262 122.588 120.200 0.210 0.000 2.183 871 E HA 0.642 5.006 4.350 0.024 0.000 0.271 871 E C -1.576 175.135 176.600 0.184 0.000 0.919 871 E CA -0.613 55.888 56.400 0.169 0.000 0.781 871 E CB 2.581 32.362 29.700 0.135 0.000 1.140 871 E HN 0.386 nan 8.360 nan 0.000 0.402 872 V N 2.222 122.246 119.914 0.184 0.000 2.407 872 V HA 0.363 4.497 4.120 0.024 0.000 0.291 872 V C 0.101 176.279 176.094 0.140 0.000 1.018 872 V CA -0.913 61.516 62.300 0.215 0.000 0.842 872 V CB 1.397 33.390 31.823 0.283 0.000 0.996 872 V HN 0.854 nan 8.190 nan 0.000 0.426 873 A N 3.644 126.501 122.820 0.060 0.000 2.565 873 A HA 0.250 4.584 4.320 0.024 0.000 0.237 873 A C 1.641 179.289 177.584 0.106 0.000 1.053 873 A CA 0.677 52.746 52.037 0.052 0.000 0.755 873 A CB 0.239 19.235 19.000 -0.005 0.000 0.980 873 A HN 1.364 nan 8.150 nan 0.000 0.506 874 S N 0.916 116.675 115.700 0.098 0.000 2.423 874 S HA -0.145 4.340 4.470 0.024 0.000 0.231 874 S C 0.873 175.553 174.600 0.132 0.000 1.014 874 S CA 1.251 59.529 58.200 0.131 0.000 0.965 874 S CB -0.280 62.978 63.200 0.097 0.000 0.785 874 S HN 0.827 nan 8.310 nan 0.000 0.495 875 D N 0.477 120.929 120.400 0.087 0.000 2.328 875 D HA 0.126 4.781 4.640 0.024 0.000 0.221 875 D C 0.474 176.813 176.300 0.065 0.000 1.072 875 D CA 0.034 54.071 54.000 0.063 0.000 0.850 875 D CB -0.396 40.428 40.800 0.039 0.000 0.922 875 D HN 0.310 nan 8.370 nan 0.000 0.516 876 T N 1.753 116.370 114.554 0.106 0.000 2.909 876 T HA 0.363 4.727 4.350 0.024 0.000 0.286 876 T C -2.571 172.245 174.700 0.193 0.000 1.002 876 T CA -1.901 60.287 62.100 0.146 0.000 1.074 876 T CB 1.252 70.212 68.868 0.154 0.000 0.984 876 T HN -0.121 nan 8.240 nan 0.000 0.495 877 P HA 0.062 nan 4.420 nan 0.000 0.266 877 P C -0.590 177.020 177.300 0.517 0.000 1.195 877 P CA 0.080 63.284 63.100 0.174 0.000 0.768 877 P CB -0.014 31.762 31.700 0.126 0.000 0.838 878 H N 3.567 122.999 119.070 0.604 0.000 3.034 878 H HA 0.060 4.630 4.556 0.024 0.000 0.324 878 H C -1.521 174.156 175.328 0.581 0.000 1.015 878 H CA -1.293 55.056 56.048 0.502 0.000 1.429 878 H CB -0.430 29.567 29.762 0.391 0.000 1.429 878 H HN 0.389 nan 8.280 nan 0.000 0.585 879 P HA -0.000 nan 4.420 nan 0.000 0.274 879 P C 0.125 177.317 177.300 -0.181 0.000 1.237 879 P CA -0.270 62.898 63.100 0.115 0.000 0.793 879 P CB 1.032 32.644 31.700 -0.146 0.000 0.977 880 A N 2.922 125.346 122.820 -0.661 0.000 2.015 880 A HA -0.084 4.250 4.320 0.024 0.000 0.219 880 A C 1.038 178.226 177.584 -0.660 0.000 1.163 880 A CA 1.262 52.878 52.037 -0.701 0.000 0.646 880 A CB -0.525 17.838 19.000 -1.062 0.000 0.806 880 A HN 0.749 nan 8.150 nan 0.000 0.448 881 R N -2.967 117.184 120.500 -0.582 0.000 2.728 881 R HA 0.728 5.083 4.340 0.024 0.000 0.274 881 R C -1.684 174.370 176.300 -0.409 0.000 1.030 881 R CA -0.818 54.960 56.100 -0.536 0.000 0.876 881 R CB 0.779 30.722 30.300 -0.595 0.000 1.259 881 R HN -0.010 nan 8.270 nan 0.000 0.468 882 I N 0.936 121.301 120.570 -0.342 0.000 2.542 882 I HA 0.635 4.819 4.170 0.024 0.000 0.278 882 I C -0.472 175.420 176.117 -0.375 0.000 1.069 882 I CA -0.333 60.795 61.300 -0.286 0.000 1.100 882 I CB 1.885 39.801 38.000 -0.140 0.000 1.204 882 I HN 0.955 nan 8.210 nan 0.000 0.470 883 G N 5.642 114.156 108.800 -0.476 0.000 2.706 883 G HA2 0.782 4.756 3.960 0.024 0.000 0.307 883 G HA3 0.782 4.756 3.960 0.024 0.000 0.307 883 G C -1.682 173.041 174.900 -0.295 0.000 1.307 883 G CA -0.578 44.278 45.100 -0.406 0.000 0.790 883 G HN 0.256 nan 8.290 nan 0.000 0.503 884 L N 0.710 121.809 121.223 -0.207 0.000 2.309 884 L HA 0.654 5.008 4.340 0.024 0.000 0.261 884 L C -0.746 176.015 176.870 -0.182 0.000 1.021 884 L CA -1.155 53.595 54.840 -0.151 0.000 0.823 884 L CB 2.515 44.565 42.059 -0.015 0.000 1.366 884 L HN 0.796 nan 8.230 nan 0.000 0.423 885 N N 0.474 119.094 118.700 -0.133 0.000 2.494 885 N HA 0.694 5.448 4.740 0.024 0.000 0.270 885 N C -1.289 174.215 175.510 -0.010 0.000 1.285 885 N CA -0.541 52.461 53.050 -0.080 0.000 0.812 885 N CB 2.338 40.797 38.487 -0.046 0.000 1.557 885 N HN 0.840 nan 8.380 nan 0.000 0.487 886 C N -1.261 118.051 119.300 0.019 0.000 3.312 886 C HA 0.605 5.079 4.460 0.024 0.000 0.332 886 C C -1.107 173.724 174.990 -0.264 0.000 1.340 886 C CA -0.846 58.144 59.018 -0.047 0.000 1.265 886 C CB 1.038 28.767 27.740 -0.017 0.000 1.563 886 C HN 0.851 nan 8.230 nan 0.000 0.471 887 Q N 1.354 120.780 119.800 -0.624 0.000 2.372 887 Q HA 0.641 4.995 4.340 0.024 0.000 0.259 887 Q C -1.055 174.637 176.000 -0.513 0.000 0.993 887 Q CA -0.422 54.733 55.803 -1.080 0.000 0.854 887 Q CB 0.871 28.613 28.738 -1.660 0.000 1.231 887 Q HN 0.774 nan 8.270 nan 0.000 0.462 888 L N 2.577 123.598 121.223 -0.336 0.000 2.439 888 L HA 0.221 4.575 4.340 0.024 0.000 0.269 888 L C 1.177 177.973 176.870 -0.123 0.000 1.179 888 L CA -0.105 54.666 54.840 -0.114 0.000 0.828 888 L CB 0.805 42.898 42.059 0.056 0.000 1.106 888 L HN 0.829 nan 8.230 nan 0.000 0.467 889 A N 2.311 125.092 122.820 -0.065 0.000 2.016 889 A HA -0.076 4.258 4.320 0.024 0.000 0.217 889 A C 0.939 178.509 177.584 -0.024 0.000 1.162 889 A CA 0.646 52.639 52.037 -0.075 0.000 0.662 889 A CB -0.204 18.747 19.000 -0.082 0.000 0.812 889 A HN 0.820 nan 8.150 nan 0.000 0.450 890 Q N -0.430 119.395 119.800 0.042 0.000 2.193 890 Q HA 0.566 4.920 4.340 0.024 0.000 0.246 890 Q C -1.384 174.664 176.000 0.079 0.000 0.959 890 Q CA -0.604 55.221 55.803 0.036 0.000 0.904 890 Q CB 1.545 30.302 28.738 0.031 0.000 1.238 890 Q HN 0.068 nan 8.270 nan 0.000 0.469 891 V N 1.598 121.527 119.914 0.025 0.000 2.495 891 V HA 0.806 4.941 4.120 0.024 0.000 0.298 891 V C -0.552 175.505 176.094 -0.061 0.000 1.031 891 V CA -0.400 61.938 62.300 0.063 0.000 0.871 891 V CB 1.056 32.902 31.823 0.038 0.000 0.988 891 V HN 0.915 nan 8.190 nan 0.000 0.432 892 A N 2.941 125.667 122.820 -0.156 0.000 2.384 892 A HA 0.739 5.073 4.320 0.024 0.000 0.312 892 A C 0.666 178.229 177.584 -0.035 0.000 1.113 892 A CA -0.464 51.399 52.037 -0.291 0.000 0.779 892 A CB 1.367 19.913 19.000 -0.756 0.000 1.307 892 A HN 0.727 nan 8.150 nan 0.000 0.436 893 E N 0.354 120.538 120.200 -0.027 0.000 2.072 893 E HA -0.044 4.320 4.350 0.024 0.000 0.190 893 E C 0.147 176.808 176.600 0.101 0.000 0.982 893 E CA 0.961 57.384 56.400 0.039 0.000 0.803 893 E CB 0.100 29.809 29.700 0.015 0.000 0.755 893 E HN 0.471 nan 8.360 nan 0.000 0.453 894 R N -0.071 120.493 120.500 0.107 0.000 2.892 894 R HA 0.550 4.904 4.340 0.024 0.000 0.265 894 R C -0.477 175.999 176.300 0.293 0.000 1.025 894 R CA -0.927 55.277 56.100 0.173 0.000 0.982 894 R CB 1.744 32.118 30.300 0.124 0.000 1.185 894 R HN -0.198 nan 8.270 nan 0.000 0.484 895 V N 1.953 122.059 119.914 0.320 0.000 2.487 895 V HA 0.376 4.510 4.120 0.024 0.000 0.298 895 V C -0.280 176.089 176.094 0.457 0.000 1.028 895 V CA -0.905 61.629 62.300 0.390 0.000 0.860 895 V CB 1.856 33.857 31.823 0.296 0.000 0.991 895 V HN 0.647 nan 8.190 nan 0.000 0.427 896 N N 4.610 123.554 118.700 0.407 0.000 2.296 896 N HA 0.544 5.298 4.740 0.024 0.000 0.294 896 N C -1.400 174.362 175.510 0.419 0.000 1.033 896 N CA -0.441 52.818 53.050 0.348 0.000 0.839 896 N CB 2.673 41.260 38.487 0.166 0.000 1.395 896 N HN 0.815 nan 8.380 nan 0.000 0.479 897 W N 2.959 124.294 121.300 0.058 0.000 3.137 897 W HA 0.580 5.254 4.660 0.023 0.000 0.324 897 W C -2.024 174.459 176.519 -0.059 0.000 1.253 897 W CA -1.122 56.231 57.345 0.012 0.000 1.183 897 W CB 0.763 30.249 29.460 0.043 0.000 1.424 897 W HN 0.225 nan 8.180 nan 0.000 0.566 898 L N 3.864 125.053 121.223 -0.056 0.000 2.301 898 L HA 0.912 5.266 4.340 0.024 0.000 0.278 898 L C -0.036 176.651 176.870 -0.305 0.000 1.022 898 L CA 0.307 54.920 54.840 -0.377 0.000 0.854 898 L CB 0.629 42.555 42.059 -0.222 0.000 1.226 898 L HN 0.980 nan 8.230 nan 0.000 0.429 899 G N 3.728 112.207 108.800 -0.535 0.000 2.348 899 G HA2 0.243 4.218 3.960 0.024 0.000 0.296 899 G HA3 0.243 4.218 3.960 0.024 0.000 0.296 899 G C -1.679 173.251 174.900 0.049 0.000 1.258 899 G CA -1.010 44.043 45.100 -0.077 0.000 0.868 899 G HN 0.417 nan 8.290 nan 0.000 0.488 900 L N 0.913 122.318 121.223 0.302 0.000 2.349 900 L HA 0.666 5.020 4.340 0.024 0.000 0.275 900 L C 1.026 178.021 176.870 0.208 0.000 1.115 900 L CA 0.553 55.534 54.840 0.235 0.000 0.820 900 L CB 0.829 42.971 42.059 0.137 0.000 1.135 900 L HN 1.181 nan 8.230 nan 0.000 0.445 901 G N 2.495 111.198 108.800 -0.161 0.000 2.348 901 G HA2 0.227 4.201 3.960 0.024 0.000 0.296 901 G HA3 0.227 4.201 3.960 0.024 0.000 0.296 901 G C -2.764 171.337 174.900 -1.332 0.000 1.258 901 G CA -0.245 44.441 45.100 -0.690 0.000 0.868 901 G HN 0.320 nan 8.290 nan 0.000 0.488 902 P HA 0.099 nan 4.420 nan 0.000 0.235 902 P C 0.458 177.569 177.300 -0.315 0.000 1.177 902 P CA 0.584 63.050 63.100 -1.056 0.000 0.785 902 P CB 0.573 31.752 31.700 -0.868 0.000 0.885 903 Q N 0.481 120.087 119.800 -0.322 0.000 2.318 903 Q HA 0.153 4.508 4.340 0.024 0.000 0.222 903 Q C 0.337 176.224 176.000 -0.189 0.000 1.003 903 Q CA -0.642 55.046 55.803 -0.192 0.000 0.936 903 Q CB 0.716 29.356 28.738 -0.164 0.000 1.204 903 Q HN 0.111 nan 8.270 nan 0.000 0.524 904 E N 1.258 121.350 120.200 -0.180 0.000 2.568 904 E HA -0.132 4.232 4.350 0.024 0.000 0.262 904 E C -1.123 175.383 176.600 -0.157 0.000 0.961 904 E CA 0.353 56.631 56.400 -0.204 0.000 0.945 904 E CB 0.231 29.879 29.700 -0.087 0.000 0.924 904 E HN 0.572 nan 8.360 nan 0.000 0.467 905 N N 2.633 121.159 118.700 -0.291 0.000 2.331 905 N HA 0.344 5.098 4.740 0.024 0.000 0.280 905 N C -1.839 173.415 175.510 -0.427 0.000 1.155 905 N CA -0.674 52.261 53.050 -0.193 0.000 0.822 905 N CB 0.756 39.160 38.487 -0.139 0.000 1.619 905 N HN 0.245 nan 8.380 nan 0.000 0.476 906 Y N -0.295 119.912 120.300 -0.154 0.000 2.633 906 Y HA 0.508 5.072 4.550 0.024 0.000 0.339 906 Y C -1.670 174.149 175.900 -0.135 0.000 1.045 906 Y CA -2.034 55.959 58.100 -0.179 0.000 1.098 906 Y CB 1.918 40.270 38.460 -0.179 0.000 1.296 906 Y HN 0.441 nan 8.280 nan 0.000 0.494 907 P HA -0.169 nan 4.420 nan 0.000 0.216 907 P C 0.377 177.527 177.300 -0.251 0.000 1.153 907 P CA 2.164 65.277 63.100 0.021 0.000 0.858 907 P CB 0.184 32.012 31.700 0.215 0.000 0.789 908 D N -2.207 117.819 120.400 -0.622 0.000 2.328 908 D HA -0.010 4.644 4.640 0.024 0.000 0.221 908 D C 0.740 176.891 176.300 -0.249 0.000 1.072 908 D CA 0.175 53.640 54.000 -0.892 0.000 0.850 908 D CB -0.325 39.727 40.800 -1.247 0.000 0.922 908 D HN 0.121 nan 8.370 nan 0.000 0.516 909 R N 0.951 121.400 120.500 -0.085 0.000 2.627 909 R HA 0.197 4.551 4.340 0.024 0.000 0.251 909 R C -0.702 175.629 176.300 0.051 0.000 1.524 909 R CA -0.173 55.945 56.100 0.031 0.000 1.606 909 R CB 0.045 30.372 30.300 0.044 0.000 1.396 909 R HN 0.108 nan 8.270 nan 0.000 0.724 910 L N -1.742 119.517 121.223 0.060 0.000 3.410 910 L HA 0.345 4.699 4.340 0.024 0.000 0.309 910 L C 1.281 178.204 176.870 0.088 0.000 1.254 910 L CA 0.013 54.885 54.840 0.053 0.000 1.048 910 L CB 0.179 42.258 42.059 0.033 0.000 1.442 910 L HN 0.082 nan 8.230 nan 0.000 0.615 911 T N -2.609 112.024 114.554 0.132 0.000 2.821 911 T HA -0.006 4.358 4.350 0.024 0.000 0.267 911 T C 1.793 176.508 174.700 0.025 0.000 1.046 911 T CA 1.341 63.539 62.100 0.163 0.000 1.139 911 T CB -0.329 68.702 68.868 0.272 0.000 0.871 911 T HN 0.383 nan 8.240 nan 0.000 0.454 912 A N 1.687 124.530 122.820 0.038 0.000 2.066 912 A HA 0.635 4.970 4.320 0.024 0.000 0.218 912 A C 1.630 179.289 177.584 0.126 0.000 1.157 912 A CA 0.547 52.563 52.037 -0.034 0.000 0.670 912 A CB -0.961 18.176 19.000 0.227 0.000 0.804 912 A HN 0.847 nan 8.150 nan 0.000 0.453 913 A N -1.113 121.731 122.820 0.040 0.000 2.407 913 A HA 0.453 4.787 4.320 0.024 0.000 0.248 913 A C 0.051 177.658 177.584 0.040 0.000 1.082 913 A CA -0.084 51.940 52.037 -0.022 0.000 0.785 913 A CB -0.092 18.885 19.000 -0.038 0.000 1.020 913 A HN 0.458 nan 8.150 nan 0.000 0.489 914 C N 0.523 119.848 119.300 0.042 0.000 2.529 914 C HA 0.577 5.052 4.460 0.024 0.000 0.329 914 C C -0.147 174.965 174.990 0.203 0.000 1.194 914 C CA -0.462 58.642 59.018 0.144 0.000 1.779 914 C CB 0.947 28.801 27.740 0.191 0.000 2.322 914 C HN 0.791 nan 8.230 nan 0.000 0.500 915 F N 3.419 123.219 119.950 -0.250 0.000 2.424 915 F HA 0.502 5.043 4.527 0.024 0.000 0.356 915 F C 0.312 175.786 175.800 -0.543 0.000 1.110 915 F CA 1.023 58.725 58.000 -0.497 0.000 1.161 915 F CB -0.002 38.174 39.000 -1.375 0.000 1.115 915 F HN 0.614 nan 8.300 nan 0.000 0.507 916 D N 3.211 122.977 120.400 -1.057 0.000 2.992 916 D HA 0.185 4.839 4.640 0.024 0.000 0.349 916 D C -1.665 173.748 176.300 -1.478 0.000 1.393 916 D CA -0.710 52.568 54.000 -1.204 0.000 0.887 916 D CB 1.501 41.504 40.800 -1.327 0.000 1.447 916 D HN 0.496 nan 8.370 nan 0.000 0.524 917 R N 0.625 120.338 120.500 -1.312 0.000 2.229 917 R HA 0.544 4.898 4.340 0.024 0.000 0.332 917 R C -1.455 174.116 176.300 -1.215 0.000 0.989 917 R CA -0.269 55.212 56.100 -1.033 0.000 0.842 917 R CB 0.335 30.281 30.300 -0.590 0.000 1.119 917 R HN 0.290 nan 8.270 nan 0.000 0.456 918 W N 2.513 123.301 121.300 -0.854 0.000 2.706 918 W HA 0.436 5.110 4.660 0.024 0.000 0.346 918 W C -0.518 175.634 176.519 -0.611 0.000 1.071 918 W CA -0.629 56.174 57.345 -0.903 0.000 1.206 918 W CB 1.801 30.229 29.460 -1.721 0.000 1.413 918 W HN 0.411 nan 8.180 nan 0.000 0.542 919 D N 2.347 122.716 120.400 -0.051 0.000 2.763 919 D HA 0.455 5.109 4.640 0.024 0.000 0.235 919 D C -1.605 174.799 176.300 0.173 0.000 1.334 919 D CA -0.171 53.888 54.000 0.099 0.000 0.950 919 D CB 1.133 41.948 40.800 0.025 0.000 1.433 919 D HN 0.391 nan 8.370 nan 0.000 0.580 920 L N 2.989 124.387 121.223 0.292 0.000 2.359 920 L HA 0.558 4.912 4.340 0.024 0.000 0.256 920 L C -2.289 174.700 176.870 0.199 0.000 1.026 920 L CA -2.207 52.770 54.840 0.229 0.000 0.828 920 L CB 2.771 45.006 42.059 0.293 0.000 1.406 920 L HN 0.197 nan 8.230 nan 0.000 0.413 921 P HA 0.001 nan 4.420 nan 0.000 0.269 921 P C 0.535 177.913 177.300 0.130 0.000 1.209 921 P CA -0.301 62.870 63.100 0.118 0.000 0.776 921 P CB 0.855 32.603 31.700 0.080 0.000 0.876 922 L N 3.650 124.956 121.223 0.138 0.000 2.043 922 L HA -0.247 4.108 4.340 0.024 0.000 0.212 922 L C 2.278 179.192 176.870 0.073 0.000 1.075 922 L CA 2.717 57.629 54.840 0.119 0.000 0.752 922 L CB -1.580 40.561 42.059 0.136 0.000 0.891 922 L HN 0.466 nan 8.230 nan 0.000 0.432 923 S N -1.864 113.878 115.700 0.071 0.000 2.419 923 S HA -0.169 4.315 4.470 0.024 0.000 0.233 923 S C 1.595 176.260 174.600 0.109 0.000 1.016 923 S CA 1.069 59.322 58.200 0.089 0.000 0.974 923 S CB -0.773 62.477 63.200 0.084 0.000 0.786 923 S HN 0.520 nan 8.310 nan 0.000 0.492 924 D N 1.322 121.765 120.400 0.073 0.000 2.350 924 D HA 0.055 4.709 4.640 0.024 0.000 0.216 924 D C 1.227 177.531 176.300 0.007 0.000 0.968 924 D CA 0.657 54.681 54.000 0.039 0.000 0.894 924 D CB -0.167 40.663 40.800 0.049 0.000 0.909 924 D HN 0.400 nan 8.370 nan 0.000 0.520 925 M N -0.441 119.171 119.600 0.019 0.000 2.563 925 M HA 0.053 4.547 4.480 0.024 0.000 0.231 925 M C -0.023 176.273 176.300 -0.007 0.000 1.136 925 M CA -0.015 55.250 55.300 -0.058 0.000 1.026 925 M CB -0.861 31.690 32.600 -0.081 0.000 1.597 925 M HN -0.042 nan 8.290 nan 0.000 0.495 926 Y N -0.149 120.103 120.300 -0.080 0.000 2.391 926 Y HA 0.502 5.066 4.550 0.024 0.000 0.341 926 Y C -0.824 175.028 175.900 -0.080 0.000 0.965 926 Y CA -0.991 57.083 58.100 -0.044 0.000 1.067 926 Y CB 1.340 39.830 38.460 0.050 0.000 1.199 926 Y HN -0.120 nan 8.280 nan 0.000 0.450 927 T N 8.861 122.959 114.554 -0.761 0.000 2.743 927 T HA 0.297 4.661 4.350 0.024 0.000 0.292 927 T C -2.714 171.235 174.700 -1.252 0.000 0.972 927 T CA -1.495 60.085 62.100 -0.867 0.000 0.967 927 T CB 1.108 69.512 68.868 -0.774 0.000 0.926 927 T HN 0.461 nan 8.240 nan 0.000 0.459 928 P HA 0.154 nan 4.420 nan 0.000 0.220 928 P C -0.710 176.468 177.300 -0.204 0.000 1.806 928 P CA -0.477 62.217 63.100 -0.677 0.000 0.976 928 P CB -0.618 30.852 31.700 -0.382 0.000 1.952 929 Y N -0.120 120.118 120.300 -0.105 0.000 2.610 929 Y HA -0.093 4.471 4.550 0.024 0.000 0.332 929 Y C 2.285 178.226 175.900 0.069 0.000 1.201 929 Y CA -0.459 57.632 58.100 -0.015 0.000 1.465 929 Y CB 0.568 38.949 38.460 -0.131 0.000 1.283 929 Y HN -0.058 nan 8.280 nan 0.000 0.563 930 V N 3.437 123.558 119.914 0.344 0.000 2.332 930 V HA -0.313 3.821 4.120 0.024 0.000 0.248 930 V C 0.608 176.861 176.094 0.266 0.000 1.055 930 V CA 1.430 63.916 62.300 0.309 0.000 1.038 930 V CB -0.541 31.502 31.823 0.366 0.000 0.651 930 V HN 0.593 nan 8.190 nan 0.000 0.450 931 F N 3.319 123.302 119.950 0.055 0.000 2.375 931 F HA 0.475 5.017 4.527 0.024 0.000 0.362 931 F C -2.353 173.439 175.800 -0.014 0.000 1.129 931 F CA -3.426 54.547 58.000 -0.044 0.000 1.154 931 F CB 0.481 39.338 39.000 -0.238 0.000 1.205 931 F HN 0.022 nan 8.300 nan 0.000 0.513 932 P HA 0.294 nan 4.420 nan 0.000 0.272 932 P C -1.004 175.977 177.300 -0.532 0.000 1.223 932 P CA 0.010 62.868 63.100 -0.404 0.000 0.784 932 P CB 1.300 32.796 31.700 -0.339 0.000 0.923 933 S N -0.541 115.036 115.700 -0.206 0.000 2.694 933 S HA 0.413 4.897 4.470 0.024 0.000 0.273 933 S C -0.871 173.711 174.600 -0.029 0.000 1.180 933 S CA -0.950 57.170 58.200 -0.133 0.000 0.864 933 S CB 0.217 63.367 63.200 -0.083 0.000 1.198 933 S HN 0.341 nan 8.310 nan 0.000 0.499 934 E N 1.317 121.514 120.200 -0.005 0.000 2.529 934 E HA 0.359 4.723 4.350 0.024 0.000 0.259 934 E C -0.207 176.440 176.600 0.078 0.000 0.966 934 E CA 0.821 57.247 56.400 0.044 0.000 0.937 934 E CB -0.276 29.474 29.700 0.085 0.000 0.923 934 E HN 0.783 nan 8.360 nan 0.000 0.468 935 N N 1.677 120.460 118.700 0.138 0.000 3.046 935 N HA 0.498 5.252 4.740 0.024 0.000 0.243 935 N C 0.179 175.743 175.510 0.089 0.000 1.452 935 N CA -0.502 52.668 53.050 0.200 0.000 0.882 935 N CB 0.984 39.586 38.487 0.191 0.000 1.425 935 N HN 0.711 nan 8.380 nan 0.000 0.517 936 G N -1.313 107.498 108.800 0.019 0.000 2.184 936 G HA2 -0.259 3.715 3.960 0.024 0.000 0.264 936 G HA3 -0.259 3.715 3.960 0.024 0.000 0.264 936 G C -0.217 174.417 174.900 -0.443 0.000 0.975 936 G CA 0.419 45.404 45.100 -0.192 0.000 0.642 936 G HN 0.713 nan 8.290 nan 0.000 0.536 937 L N 0.013 120.899 121.223 -0.562 0.000 2.482 937 L HA 0.702 5.056 4.340 0.024 0.000 0.273 937 L C 0.666 176.952 176.870 -0.973 0.000 1.228 937 L CA 0.308 54.585 54.840 -0.938 0.000 0.827 937 L CB 0.554 41.749 42.059 -1.440 0.000 1.099 937 L HN 0.253 nan 8.230 nan 0.000 0.494 938 R N 1.973 121.820 120.500 -1.089 0.000 2.575 938 R HA 0.520 4.874 4.340 0.024 0.000 0.293 938 R C -1.001 174.960 176.300 -0.564 0.000 0.983 938 R CA -0.279 55.325 56.100 -0.826 0.000 0.887 938 R CB 1.475 31.162 30.300 -1.022 0.000 1.184 938 R HN 0.693 nan 8.270 nan 0.000 0.445 939 C N 0.099 119.217 119.300 -0.303 0.000 2.547 939 C HA 0.743 5.217 4.460 0.024 0.000 0.411 939 C C 1.257 176.234 174.990 -0.021 0.000 1.424 939 C CA 0.069 58.984 59.018 -0.172 0.000 1.848 939 C CB 1.388 29.049 27.740 -0.131 0.000 2.062 939 C HN 1.020 nan 8.230 nan 0.000 0.504 940 G N 1.550 110.349 108.800 -0.003 0.000 2.283 940 G HA2 -0.186 3.788 3.960 0.024 0.000 0.280 940 G HA3 -0.186 3.788 3.960 0.024 0.000 0.280 940 G C -0.056 174.920 174.900 0.127 0.000 1.029 940 G CA 0.617 45.769 45.100 0.085 0.000 0.840 940 G HN 0.785 nan 8.290 nan 0.000 0.505 941 T N -0.022 114.482 114.554 -0.083 0.000 2.767 941 T HA 0.533 4.897 4.350 0.024 0.000 0.288 941 T C 1.278 175.669 174.700 -0.515 0.000 0.963 941 T CA -0.631 61.363 62.100 -0.176 0.000 1.019 941 T CB 1.401 70.201 68.868 -0.114 0.000 0.923 941 T HN 0.179 nan 8.240 nan 0.000 0.468 942 R N 1.533 121.954 120.500 -0.131 0.000 2.254 942 R HA 0.290 4.644 4.340 0.024 0.000 0.193 942 R C 0.510 176.835 176.300 0.042 0.000 0.929 942 R CA 0.217 56.296 56.100 -0.035 0.000 1.038 942 R CB 0.324 30.739 30.300 0.192 0.000 1.009 942 R HN 0.716 nan 8.270 nan 0.000 0.512 943 E N 0.372 120.610 120.200 0.062 0.000 2.321 943 E HA 0.325 4.689 4.350 0.024 0.000 0.281 943 E C -1.869 174.877 176.600 0.242 0.000 0.910 943 E CA -0.644 55.879 56.400 0.205 0.000 0.770 943 E CB 1.451 31.234 29.700 0.139 0.000 1.225 943 E HN -0.080 nan 8.360 nan 0.000 0.417 944 L N 4.033 125.462 121.223 0.343 0.000 2.385 944 L HA 0.621 4.976 4.340 0.024 0.000 0.273 944 L C -1.839 175.220 176.870 0.315 0.000 0.990 944 L CA -0.366 54.609 54.840 0.226 0.000 0.821 944 L CB 1.788 43.830 42.059 -0.029 0.000 1.279 944 L HN 0.483 nan 8.230 nan 0.000 0.412 945 N N 4.263 123.121 118.700 0.262 0.000 2.314 945 N HA 0.432 5.186 4.740 0.024 0.000 0.294 945 N C -1.996 173.733 175.510 0.364 0.000 1.029 945 N CA -0.272 52.929 53.050 0.251 0.000 0.845 945 N CB 2.246 40.824 38.487 0.152 0.000 1.321 945 N HN 0.611 nan 8.380 nan 0.000 0.481 946 Y N 0.983 121.412 120.300 0.216 0.000 2.323 946 Y HA 0.406 4.970 4.550 0.024 0.000 0.322 946 Y C 0.581 176.581 175.900 0.166 0.000 1.133 946 Y CA 0.169 58.397 58.100 0.214 0.000 1.093 946 Y CB 0.607 39.259 38.460 0.319 0.000 1.203 946 Y HN 0.857 nan 8.280 nan 0.000 0.427 947 G N 6.499 115.107 108.800 -0.320 0.000 2.574 947 G HA2 -0.284 3.690 3.960 0.024 0.000 0.286 947 G HA3 -0.284 3.690 3.960 0.024 0.000 0.286 947 G C -1.934 172.845 174.900 -0.202 0.000 1.212 947 G CA 0.084 45.005 45.100 -0.300 0.000 0.979 947 G HN 0.582 nan 8.290 nan 0.000 0.557 948 P HA 0.190 nan 4.420 nan 0.000 0.255 948 P C 0.112 177.207 177.300 -0.341 0.000 1.248 948 P CA 0.482 63.397 63.100 -0.309 0.000 0.807 948 P CB 0.051 31.527 31.700 -0.374 0.000 1.150 949 H N 0.449 119.464 119.070 -0.091 0.000 2.482 949 H HA 0.454 5.024 4.556 0.024 0.000 0.344 949 H C -0.060 174.988 175.328 -0.466 0.000 1.151 949 H CA -0.001 55.880 56.048 -0.279 0.000 1.300 949 H CB 1.684 31.137 29.762 -0.515 0.000 1.494 949 H HN 0.086 nan 8.280 nan 0.000 0.542 950 Q N 2.345 121.876 119.800 -0.450 0.000 2.305 950 Q HA 0.239 4.593 4.340 0.024 0.000 0.271 950 Q C -1.618 174.100 176.000 -0.470 0.000 1.046 950 Q CA -0.722 54.900 55.803 -0.301 0.000 0.798 950 Q CB 2.106 30.817 28.738 -0.044 0.000 1.286 950 Q HN 0.576 nan 8.270 nan 0.000 0.435 951 W N 3.870 125.137 121.300 -0.056 0.000 2.656 951 W HA 0.552 5.226 4.660 0.024 0.000 0.327 951 W C -0.287 176.322 176.519 0.149 0.000 1.041 951 W CA -0.700 56.583 57.345 -0.103 0.000 1.229 951 W CB 2.002 31.195 29.460 -0.445 0.000 1.397 951 W HN 0.532 nan 8.180 nan 0.000 0.479 952 R N 0.904 121.642 120.500 0.397 0.000 2.670 952 R HA 0.791 5.146 4.340 0.024 0.000 0.289 952 R C 0.260 176.838 176.300 0.463 0.000 0.965 952 R CA -0.410 55.936 56.100 0.411 0.000 0.899 952 R CB 2.352 32.803 30.300 0.252 0.000 1.173 952 R HN 0.738 nan 8.270 nan 0.000 0.456 953 G N 0.720 109.787 108.800 0.445 0.000 2.566 953 G HA2 0.027 4.002 3.960 0.024 0.000 0.138 953 G HA3 0.027 4.002 3.960 0.024 0.000 0.138 953 G C -1.749 173.278 174.900 0.212 0.000 1.133 953 G CA -0.305 45.030 45.100 0.391 0.000 1.037 953 G HN 0.495 nan 8.290 nan 0.000 0.491 954 D N -0.051 120.467 120.400 0.196 0.000 2.411 954 D HA 0.564 5.218 4.640 0.024 0.000 0.239 954 D C -0.711 175.585 176.300 -0.007 0.000 1.307 954 D CA -0.493 53.503 54.000 -0.006 0.000 0.930 954 D CB 0.108 40.946 40.800 0.064 0.000 1.395 954 D HN 0.530 nan 8.370 nan 0.000 0.536 955 F N -0.313 119.634 119.950 -0.005 0.000 2.824 955 F HA 0.739 5.280 4.527 0.024 0.000 0.330 955 F C -0.951 174.805 175.800 -0.074 0.000 1.175 955 F CA -1.020 56.910 58.000 -0.117 0.000 0.974 955 F CB 0.691 39.619 39.000 -0.120 0.000 1.430 955 F HN -0.159 nan 8.300 nan 0.000 0.507 956 Q N 1.447 121.336 119.800 0.147 0.000 2.345 956 Q HA 0.629 4.983 4.340 0.024 0.000 0.268 956 Q C -1.286 174.788 176.000 0.124 0.000 1.054 956 Q CA -0.514 55.285 55.803 -0.006 0.000 0.835 956 Q CB 2.696 31.324 28.738 -0.184 0.000 1.339 956 Q HN 0.852 nan 8.270 nan 0.000 0.447 957 F N -1.040 118.799 119.950 -0.184 0.000 2.662 957 F HA 0.763 5.305 4.527 0.024 0.000 0.312 957 F C -1.409 174.174 175.800 -0.363 0.000 1.113 957 F CA -1.104 56.740 58.000 -0.259 0.000 0.951 957 F CB 1.659 40.518 39.000 -0.235 0.000 1.344 957 F HN 0.561 nan 8.300 nan 0.000 0.462 958 N N 1.395 119.915 118.700 -0.300 0.000 2.284 958 N HA 0.722 5.476 4.740 0.024 0.000 0.289 958 N C -2.102 173.333 175.510 -0.126 0.000 1.179 958 N CA -0.758 52.081 53.050 -0.353 0.000 0.774 958 N CB 2.627 40.932 38.487 -0.304 0.000 1.548 958 N HN 1.124 nan 8.380 nan 0.000 0.473 959 I N 0.412 120.904 120.570 -0.130 0.000 2.649 959 I HA 0.681 4.865 4.170 0.024 0.000 0.289 959 I C -1.467 174.557 176.117 -0.156 0.000 1.222 959 I CA 0.058 61.252 61.300 -0.177 0.000 1.046 959 I CB 1.295 39.132 38.000 -0.272 0.000 1.272 959 I HN 1.056 nan 8.210 nan 0.000 0.425 960 S N 6.119 121.734 115.700 -0.142 0.000 2.643 960 S HA 0.491 4.976 4.470 0.024 0.000 0.266 960 S C -0.248 174.220 174.600 -0.219 0.000 1.130 960 S CA -1.008 57.091 58.200 -0.168 0.000 0.817 960 S CB 1.612 64.758 63.200 -0.090 0.000 1.107 960 S HN 0.628 nan 8.310 nan 0.000 0.471 961 R N -0.090 120.093 120.500 -0.529 0.000 2.335 961 R HA 0.249 4.603 4.340 0.024 0.000 0.223 961 R C -0.846 175.130 176.300 -0.541 0.000 0.940 961 R CA 0.323 56.117 56.100 -0.509 0.000 1.086 961 R CB -1.004 28.912 30.300 -0.639 0.000 1.073 961 R HN 0.665 nan 8.270 nan 0.000 0.504 962 Y N 0.074 120.346 120.300 -0.047 0.000 2.376 962 Y HA 0.199 4.763 4.550 0.024 0.000 0.340 962 Y C 0.733 176.427 175.900 -0.344 0.000 0.965 962 Y CA -1.149 56.841 58.100 -0.183 0.000 1.078 962 Y CB 1.510 39.809 38.460 -0.268 0.000 1.193 962 Y HN -0.092 nan 8.280 nan 0.000 0.452 963 S N 1.427 116.797 115.700 -0.549 0.000 2.600 963 S HA 0.052 4.536 4.470 0.024 0.000 0.265 963 S C 0.846 175.098 174.600 -0.580 0.000 1.325 963 S CA -0.745 56.739 58.200 -1.194 0.000 1.002 963 S CB 1.129 63.452 63.200 -1.461 0.000 0.921 963 S HN 0.732 nan 8.310 nan 0.000 0.554 964 Q N 0.572 120.055 119.800 -0.529 0.000 2.170 964 Q HA -0.187 4.167 4.340 0.024 0.000 0.203 964 Q C 2.229 178.085 176.000 -0.239 0.000 0.976 964 Q CA 1.722 57.358 55.803 -0.278 0.000 0.858 964 Q CB -0.540 28.065 28.738 -0.222 0.000 0.907 964 Q HN 0.963 nan 8.270 nan 0.000 0.433 965 Q N 0.714 120.333 119.800 -0.303 0.000 2.061 965 Q HA -0.236 4.118 4.340 0.024 0.000 0.204 965 Q C 2.129 178.020 176.000 -0.182 0.000 0.984 965 Q CA 1.691 57.374 55.803 -0.200 0.000 0.846 965 Q CB -0.014 28.612 28.738 -0.188 0.000 0.902 965 Q HN 0.402 nan 8.270 nan 0.000 0.421 966 Q N -0.048 119.617 119.800 -0.225 0.000 2.084 966 Q HA -0.166 4.188 4.340 0.024 0.000 0.202 966 Q C 2.216 178.090 176.000 -0.210 0.000 0.978 966 Q CA 1.370 57.054 55.803 -0.199 0.000 0.844 966 Q CB -0.067 28.523 28.738 -0.247 0.000 0.898 966 Q HN 0.489 nan 8.270 nan 0.000 0.426 967 L N 0.499 121.592 121.223 -0.218 0.000 2.083 967 L HA -0.203 4.151 4.340 0.024 0.000 0.209 967 L C 2.675 179.411 176.870 -0.223 0.000 1.083 967 L CA 1.422 56.128 54.840 -0.224 0.000 0.752 967 L CB -0.477 41.485 42.059 -0.162 0.000 0.899 967 L HN 0.460 nan 8.230 nan 0.000 0.433 968 M N -1.663 117.838 119.600 -0.165 0.000 2.492 968 M HA -0.064 4.430 4.480 0.024 0.000 0.262 968 M C 1.360 177.590 176.300 -0.118 0.000 1.090 968 M CA 1.548 56.767 55.300 -0.135 0.000 1.110 968 M CB -0.294 32.242 32.600 -0.106 0.000 1.407 968 M HN 0.088 nan 8.290 nan 0.000 0.470 969 E N 0.981 121.110 120.200 -0.119 0.000 2.479 969 E HA 0.107 4.472 4.350 0.024 0.000 0.193 969 E C -0.402 176.151 176.600 -0.078 0.000 1.049 969 E CA 0.138 56.491 56.400 -0.078 0.000 0.870 969 E CB 0.518 30.182 29.700 -0.061 0.000 0.944 969 E HN 0.413 nan 8.360 nan 0.000 0.492 970 T N 0.008 114.480 114.554 -0.138 0.000 2.807 970 T HA 0.121 4.485 4.350 0.024 0.000 0.279 970 T C 0.907 175.521 174.700 -0.143 0.000 0.993 970 T CA -0.558 61.464 62.100 -0.131 0.000 0.970 970 T CB 1.706 70.459 68.868 -0.191 0.000 0.950 970 T HN 0.002 nan 8.240 nan 0.000 0.441 971 S N 1.438 117.153 115.700 0.025 0.000 2.524 971 S HA 0.137 4.621 4.470 0.024 0.000 0.216 971 S C 0.192 174.879 174.600 0.145 0.000 0.987 971 S CA 0.090 58.387 58.200 0.162 0.000 0.909 971 S CB -0.202 63.236 63.200 0.396 0.000 0.781 971 S HN 0.734 nan 8.310 nan 0.000 0.521 972 H N 0.737 119.820 119.070 0.021 0.000 2.759 972 H HA 0.473 5.044 4.556 0.024 0.000 0.354 972 H C 0.925 176.229 175.328 -0.040 0.000 1.074 972 H CA -0.821 55.292 56.048 0.107 0.000 1.226 972 H CB 1.511 31.321 29.762 0.079 0.000 1.648 972 H HN 0.111 nan 8.280 nan 0.000 0.529 973 R N 2.047 122.651 120.500 0.173 0.000 2.127 973 R HA -0.190 4.164 4.340 0.024 0.000 0.238 973 R C 1.190 177.501 176.300 0.019 0.000 1.134 973 R CA 1.961 58.097 56.100 0.059 0.000 0.975 973 R CB -0.458 29.918 30.300 0.127 0.000 0.865 973 R HN 0.776 nan 8.270 nan 0.000 0.447 974 H N 0.908 119.974 119.070 -0.006 0.000 2.545 974 H HA 0.021 4.591 4.556 0.024 0.000 0.282 974 H C 1.403 176.642 175.328 -0.149 0.000 1.020 974 H CA 0.797 56.797 56.048 -0.080 0.000 1.243 974 H CB -0.105 29.593 29.762 -0.106 0.000 1.377 974 H HN 0.328 nan 8.280 nan 0.000 0.581 975 L N 0.925 121.791 121.223 -0.595 0.000 2.607 975 L HA 0.240 4.594 4.340 0.024 0.000 0.228 975 L C 0.570 177.308 176.870 -0.219 0.000 1.123 975 L CA -0.173 54.378 54.840 -0.481 0.000 0.890 975 L CB 0.229 41.964 42.059 -0.540 0.000 1.103 975 L HN 0.049 nan 8.230 nan 0.000 0.468 976 L N 0.854 121.930 121.223 -0.245 0.000 2.417 976 L HA 0.174 4.528 4.340 0.024 0.000 0.268 976 L C 0.059 176.871 176.870 -0.097 0.000 1.158 976 L CA -0.166 54.485 54.840 -0.316 0.000 0.819 976 L CB 0.430 42.055 42.059 -0.723 0.000 1.112 976 L HN 0.197 nan 8.230 nan 0.000 0.458 977 H N 1.326 120.381 119.070 -0.024 0.000 2.679 977 H HA 0.556 5.126 4.556 0.024 0.000 0.360 977 H C -0.768 174.696 175.328 0.227 0.000 1.105 977 H CA -1.253 54.847 56.048 0.087 0.000 1.196 977 H CB 1.275 31.049 29.762 0.019 0.000 1.636 977 H HN 0.667 nan 8.280 nan 0.000 0.531 978 A N 3.497 126.456 122.820 0.231 0.000 2.548 978 A HA 0.079 4.413 4.320 0.024 0.000 0.247 978 A C 0.420 178.052 177.584 0.080 0.000 1.067 978 A CA -0.078 51.968 52.037 0.014 0.000 0.757 978 A CB -0.145 18.825 19.000 -0.050 0.000 0.996 978 A HN 0.822 nan 8.150 nan 0.000 0.504 979 E N 1.114 121.342 120.200 0.046 0.000 2.359 979 E HA 0.214 4.578 4.350 0.024 0.000 0.255 979 E C -0.009 176.627 176.600 0.059 0.000 1.191 979 E CA -0.648 55.836 56.400 0.139 0.000 0.952 979 E CB 0.688 30.549 29.700 0.269 0.000 1.152 979 E HN 0.804 nan 8.360 nan 0.000 0.496 980 E N -0.127 120.101 120.200 0.048 0.000 2.383 980 E HA 0.243 4.607 4.350 0.024 0.000 0.264 980 E C 0.313 176.860 176.600 -0.090 0.000 1.050 980 E CA 0.545 56.935 56.400 -0.017 0.000 0.896 980 E CB 0.522 30.207 29.700 -0.025 0.000 0.982 980 E HN 0.658 nan 8.360 nan 0.000 0.424 981 G N 2.311 111.061 108.800 -0.084 0.000 2.598 981 G HA2 -0.233 3.741 3.960 0.024 0.000 0.244 981 G HA3 -0.233 3.741 3.960 0.024 0.000 0.244 981 G C -0.610 174.213 174.900 -0.128 0.000 1.302 981 G CA -0.124 44.907 45.100 -0.116 0.000 0.903 981 G HN 0.620 nan 8.290 nan 0.000 0.575 982 T N 0.095 114.545 114.554 -0.174 0.000 2.921 982 T HA 0.503 4.867 4.350 0.024 0.000 0.297 982 T C -0.884 173.649 174.700 -0.277 0.000 1.013 982 T CA -0.180 61.827 62.100 -0.155 0.000 0.990 982 T CB 1.428 70.283 68.868 -0.021 0.000 1.023 982 T HN 0.570 nan 8.240 nan 0.000 0.447 983 W N 3.178 124.373 121.300 -0.175 0.000 2.322 983 W HA 0.617 5.292 4.660 0.024 0.000 0.307 983 W C -0.334 176.043 176.519 -0.236 0.000 1.220 983 W CA -0.668 56.573 57.345 -0.174 0.000 1.210 983 W CB 0.796 30.166 29.460 -0.149 0.000 1.223 983 W HN 0.357 nan 8.180 nan 0.000 0.511 984 L N 5.662 126.866 121.223 -0.031 0.000 2.333 984 L HA 0.513 4.867 4.340 0.024 0.000 0.280 984 L C -1.010 175.747 176.870 -0.188 0.000 1.004 984 L CA -0.530 54.172 54.840 -0.231 0.000 0.820 984 L CB 0.905 42.680 42.059 -0.472 0.000 1.247 984 L HN 0.315 nan 8.230 nan 0.000 0.416 985 N N 6.269 124.849 118.700 -0.200 0.000 2.443 985 N HA 0.439 5.193 4.740 0.024 0.000 0.269 985 N C -1.264 174.090 175.510 -0.260 0.000 0.985 985 N CA -0.208 52.724 53.050 -0.197 0.000 0.921 985 N CB 2.568 40.970 38.487 -0.142 0.000 1.195 985 N HN 0.669 nan 8.380 nan 0.000 0.492 986 I N 1.588 121.957 120.570 -0.336 0.000 2.410 986 I HA 0.284 4.468 4.170 0.024 0.000 0.286 986 I C -1.127 174.788 176.117 -0.338 0.000 1.009 986 I CA -0.587 60.480 61.300 -0.390 0.000 1.111 986 I CB 0.912 38.480 38.000 -0.720 0.000 1.262 986 I HN 0.219 nan 8.210 nan 0.000 0.443 987 D N 5.363 125.606 120.400 -0.263 0.000 2.217 987 D HA 0.303 4.958 4.640 0.024 0.000 0.243 987 D C 0.843 176.820 176.300 -0.538 0.000 1.054 987 D CA -0.225 53.560 54.000 -0.359 0.000 0.838 987 D CB 2.245 42.942 40.800 -0.172 0.000 1.162 987 D HN 0.743 nan 8.370 nan 0.000 0.472 988 G N 1.289 109.431 108.800 -1.096 0.000 2.421 988 G HA2 -0.017 3.958 3.960 0.024 0.000 0.217 988 G HA3 -0.017 3.958 3.960 0.024 0.000 0.217 988 G C 0.122 174.239 174.900 -1.304 0.000 1.143 988 G CA 0.527 44.855 45.100 -1.286 0.000 0.784 988 G HN 0.387 nan 8.290 nan 0.000 0.541 989 F N -2.252 117.507 119.950 -0.317 0.000 2.619 989 F HA 0.581 5.122 4.527 0.024 0.000 0.308 989 F C -0.557 175.152 175.800 -0.151 0.000 1.097 989 F CA -1.142 56.750 58.000 -0.180 0.000 0.953 989 F CB 2.167 40.975 39.000 -0.319 0.000 1.287 989 F HN 0.023 nan 8.300 nan 0.000 0.446 990 H N 1.823 120.900 119.070 0.012 0.000 2.894 990 H HA 0.545 5.115 4.556 0.024 0.000 0.367 990 H C -0.935 174.417 175.328 0.039 0.000 1.144 990 H CA -0.873 55.157 56.048 -0.030 0.000 1.180 990 H CB 1.928 31.659 29.762 -0.052 0.000 1.758 990 H HN 0.766 nan 8.280 nan 0.000 0.541 991 M N 3.166 122.712 119.600 -0.090 0.000 2.226 991 M HA 0.331 4.825 4.480 0.024 0.000 0.324 991 M C 0.418 176.831 176.300 0.189 0.000 1.112 991 M CA 0.212 55.535 55.300 0.040 0.000 1.176 991 M CB 0.453 32.982 32.600 -0.118 0.000 1.430 991 M HN 0.817 nan 8.290 nan 0.000 0.462 992 G N 2.411 111.298 108.800 0.145 0.000 2.636 992 G HA2 0.306 4.280 3.960 0.024 0.000 0.246 992 G HA3 0.306 4.280 3.960 0.024 0.000 0.246 992 G C 0.569 175.448 174.900 -0.036 0.000 1.216 992 G CA -0.442 44.665 45.100 0.013 0.000 0.854 992 G HN 0.969 nan 8.290 nan 0.000 0.572 993 I N -1.534 118.968 120.570 -0.114 0.000 3.645 993 I HA 0.401 4.585 4.170 0.024 0.000 0.300 993 I C 1.212 177.263 176.117 -0.110 0.000 1.260 993 I CA 0.424 61.623 61.300 -0.169 0.000 1.365 993 I CB -0.568 37.232 38.000 -0.334 0.000 1.077 993 I HN 0.910 nan 8.210 nan 0.000 0.439 994 G N 1.694 110.452 108.800 -0.070 0.000 2.641 994 G HA2 -0.002 3.973 3.960 0.024 0.000 0.254 994 G HA3 -0.002 3.973 3.960 0.024 0.000 0.254 994 G C 0.591 175.492 174.900 0.002 0.000 1.315 994 G CA 0.223 45.322 45.100 -0.002 0.000 0.907 994 G HN 1.378 nan 8.290 nan 0.000 0.572 995 G N -2.493 106.323 108.800 0.026 0.000 2.559 995 G HA2 0.010 3.984 3.960 0.024 0.000 0.202 995 G HA3 0.010 3.984 3.960 0.024 0.000 0.202 995 G C 0.677 175.634 174.900 0.095 0.000 0.992 995 G CA 0.893 46.016 45.100 0.038 0.000 0.764 995 G HN 0.975 nan 8.290 nan 0.000 0.525 996 D N 1.262 121.745 120.400 0.138 0.000 2.172 996 D HA 0.047 4.702 4.640 0.024 0.000 0.196 996 D C 1.046 177.388 176.300 0.071 0.000 0.999 996 D CA 2.194 56.333 54.000 0.232 0.000 0.856 996 D CB 0.090 41.038 40.800 0.246 0.000 0.934 996 D HN 0.815 nan 8.370 nan 0.000 0.453 997 D N -3.400 116.842 120.400 -0.263 0.000 2.615 997 D HA 0.362 5.016 4.640 0.024 0.000 0.267 997 D C -0.789 175.018 176.300 -0.821 0.000 1.236 997 D CA -0.751 52.685 54.000 -0.939 0.000 0.839 997 D CB 1.004 40.729 40.800 -1.792 0.000 1.380 997 D HN -0.295 nan 8.370 nan 0.000 0.433 998 S N -0.539 114.507 115.700 -1.090 0.000 2.651 998 S HA 0.234 4.719 4.470 0.024 0.000 0.246 998 S C -0.568 174.046 174.600 0.023 0.000 1.039 998 S CA -0.667 57.374 58.200 -0.265 0.000 1.013 998 S CB -0.489 62.796 63.200 0.142 0.000 0.861 998 S HN 0.627 nan 8.310 nan 0.000 0.485 999 W N 0.982 122.241 121.300 -0.068 0.000 2.304 999 W HA 0.537 5.211 4.660 0.023 0.000 0.326 999 W C -0.019 176.463 176.519 -0.062 0.000 0.920 999 W CA -0.474 56.829 57.345 -0.069 0.000 1.518 999 W CB -0.528 28.812 29.460 -0.199 0.000 1.112 999 W HN 0.165 nan 8.180 nan 0.000 0.528 1000 S N -1.049 114.547 115.700 -0.173 0.000 2.570 1000 S HA 0.649 5.133 4.470 0.024 0.000 0.270 1000 S C -3.116 171.433 174.600 -0.085 0.000 1.149 1000 S CA -1.684 56.467 58.200 -0.082 0.000 0.837 1000 S CB 1.757 64.934 63.200 -0.039 0.000 1.124 1000 S HN -0.233 nan 8.310 nan 0.000 0.465 1001 P HA 0.198 nan 4.420 nan 0.000 0.263 1001 P C 0.351 177.702 177.300 0.085 0.000 1.195 1001 P CA 0.024 63.149 63.100 0.042 0.000 0.762 1001 P CB 0.682 32.280 31.700 -0.169 0.000 0.799 1002 S N 0.709 116.498 115.700 0.147 0.000 2.847 1002 S HA 0.138 4.622 4.470 0.024 0.000 0.254 1002 S C 0.171 174.860 174.600 0.149 0.000 1.039 1002 S CA -0.303 57.956 58.200 0.098 0.000 1.113 1002 S CB -0.255 62.952 63.200 0.011 0.000 1.092 1002 S HN 0.104 nan 8.310 nan 0.000 0.620 1003 V N 2.875 122.919 119.914 0.216 0.000 2.455 1003 V HA 0.371 4.505 4.120 0.024 0.000 0.273 1003 V C 0.834 177.082 176.094 0.258 0.000 1.045 1003 V CA -0.266 62.148 62.300 0.190 0.000 0.976 1003 V CB 0.963 32.843 31.823 0.095 0.000 0.993 1003 V HN 0.520 nan 8.190 nan 0.000 0.475 1004 S N 3.995 119.859 115.700 0.273 0.000 2.563 1004 S HA 0.235 4.719 4.470 0.024 0.000 0.284 1004 S C 1.560 176.304 174.600 0.240 0.000 1.331 1004 S CA 0.097 58.451 58.200 0.257 0.000 1.047 1004 S CB 1.023 64.409 63.200 0.309 0.000 0.859 1004 S HN 1.001 nan 8.310 nan 0.000 0.514 1005 A N 3.709 126.625 122.820 0.161 0.000 1.948 1005 A HA -0.168 4.166 4.320 0.024 0.000 0.220 1005 A C 2.036 179.658 177.584 0.062 0.000 1.177 1005 A CA 1.917 54.036 52.037 0.137 0.000 0.636 1005 A CB -0.677 18.380 19.000 0.095 0.000 0.815 1005 A HN 0.964 nan 8.150 nan 0.000 0.449 1006 E N -0.837 119.334 120.200 -0.048 0.000 2.409 1006 E HA -0.140 4.224 4.350 0.024 0.000 0.198 1006 E C 0.928 177.278 176.600 -0.417 0.000 1.024 1006 E CA 0.882 57.126 56.400 -0.260 0.000 0.861 1006 E CB -0.460 29.003 29.700 -0.394 0.000 0.788 1006 E HN 0.695 nan 8.360 nan 0.000 0.521 1007 F N 1.147 121.153 119.950 0.092 0.000 2.653 1007 F HA 0.254 4.795 4.527 0.023 0.000 0.304 1007 F C 0.937 176.781 175.800 0.074 0.000 1.092 1007 F CA -0.494 57.560 58.000 0.090 0.000 1.279 1007 F CB 0.523 39.576 39.000 0.087 0.000 1.044 1007 F HN -0.191 nan 8.300 nan 0.000 0.564 1008 Q N 1.319 121.239 119.800 0.201 0.000 2.259 1008 Q HA 0.372 4.726 4.340 0.024 0.000 0.249 1008 Q C -0.204 175.847 176.000 0.085 0.000 0.914 1008 Q CA -0.443 55.460 55.803 0.167 0.000 0.904 1008 Q CB 1.801 30.734 28.738 0.325 0.000 1.213 1008 Q HN 0.253 nan 8.270 nan 0.000 0.428 1009 L N 2.526 123.783 121.223 0.057 0.000 2.399 1009 L HA 0.113 4.467 4.340 0.024 0.000 0.257 1009 L C 0.600 177.445 176.870 -0.042 0.000 1.236 1009 L CA -0.050 54.806 54.840 0.025 0.000 1.144 1009 L CB -0.282 41.686 42.059 -0.151 0.000 1.379 1009 L HN 0.699 nan 8.230 nan 0.000 0.414 1010 S N -1.137 114.440 115.700 -0.205 0.000 2.554 1010 S HA 0.151 4.635 4.470 0.024 0.000 0.226 1010 S C 1.598 176.098 174.600 -0.168 0.000 0.980 1010 S CA 0.165 58.049 58.200 -0.527 0.000 0.939 1010 S CB 0.762 63.523 63.200 -0.731 0.000 0.832 1010 S HN 0.511 nan 8.310 nan 0.000 0.486 1011 A N 1.439 124.196 122.820 -0.104 0.000 2.121 1011 A HA 0.455 4.789 4.320 0.024 0.000 0.218 1011 A C 2.086 179.508 177.584 -0.271 0.000 1.154 1011 A CA 1.210 53.065 52.037 -0.304 0.000 0.679 1011 A CB -1.231 17.372 19.000 -0.661 0.000 0.795 1011 A HN 1.458 nan 8.150 nan 0.000 0.458 1012 G N -1.306 107.431 108.800 -0.104 0.000 2.900 1012 G HA2 -0.293 3.681 3.960 0.024 0.000 0.223 1012 G HA3 -0.293 3.681 3.960 0.024 0.000 0.223 1012 G C 0.472 175.346 174.900 -0.043 0.000 1.293 1012 G CA 0.425 45.513 45.100 -0.019 0.000 0.792 1012 G HN 0.683 nan 8.290 nan 0.000 0.527 1013 R N -0.489 119.870 120.500 -0.236 0.000 2.621 1013 R HA 0.693 5.047 4.340 0.024 0.000 0.292 1013 R C -1.569 174.483 176.300 -0.414 0.000 0.969 1013 R CA -0.588 55.424 56.100 -0.146 0.000 0.887 1013 R CB 1.577 31.823 30.300 -0.090 0.000 1.180 1013 R HN 0.272 nan 8.270 nan 0.000 0.450 1014 Y N 0.335 120.625 120.300 -0.017 0.000 2.492 1014 Y HA 0.338 4.902 4.550 0.024 0.000 0.346 1014 Y C -0.472 175.563 175.900 0.226 0.000 0.997 1014 Y CA -0.813 57.243 58.100 -0.073 0.000 1.025 1014 Y CB 2.204 40.488 38.460 -0.293 0.000 1.263 1014 Y HN 0.599 nan 8.280 nan 0.000 0.454 1015 H N 2.598 121.936 119.070 0.447 0.000 2.717 1015 H HA 0.642 5.212 4.556 0.024 0.000 0.366 1015 H C -1.760 173.953 175.328 0.643 0.000 1.132 1015 H CA -0.923 55.370 56.048 0.410 0.000 1.180 1015 H CB 1.385 31.286 29.762 0.232 0.000 1.678 1015 H HN 0.572 nan 8.280 nan 0.000 0.537 1016 Y N 1.445 121.569 120.300 -0.292 0.000 2.609 1016 Y HA 0.460 5.025 4.550 0.024 0.000 0.336 1016 Y C -2.024 173.691 175.900 -0.309 0.000 1.129 1016 Y CA -1.103 56.894 58.100 -0.172 0.000 1.040 1016 Y CB 1.369 39.809 38.460 -0.033 0.000 1.310 1016 Y HN 0.788 nan 8.280 nan 0.000 0.460 1017 Q N 2.747 122.558 119.800 0.019 0.000 2.377 1017 Q HA 0.806 5.161 4.340 0.024 0.000 0.279 1017 Q C -2.262 173.831 176.000 0.154 0.000 1.049 1017 Q CA -1.074 54.718 55.803 -0.018 0.000 0.825 1017 Q CB 3.323 32.077 28.738 0.027 0.000 1.401 1017 Q HN 0.867 nan 8.270 nan 0.000 0.404 1018 L N 1.031 122.332 121.223 0.129 0.000 2.424 1018 L HA 0.726 5.080 4.340 0.024 0.000 0.258 1018 L C -1.117 175.875 176.870 0.203 0.000 0.995 1018 L CA -1.271 53.688 54.840 0.198 0.000 0.821 1018 L CB 2.787 44.942 42.059 0.160 0.000 1.383 1018 L HN 0.507 nan 8.230 nan 0.000 0.410 1019 V N 0.906 120.966 119.914 0.242 0.000 2.448 1019 V HA 0.393 4.528 4.120 0.024 0.000 0.295 1019 V C -1.204 175.069 176.094 0.299 0.000 1.025 1019 V CA -0.435 62.012 62.300 0.244 0.000 0.859 1019 V CB 2.048 33.987 31.823 0.193 0.000 0.988 1019 V HN 0.582 nan 8.190 nan 0.000 0.431 1020 W N 6.913 128.284 121.300 0.118 0.000 2.429 1020 W HA 0.707 5.382 4.660 0.024 0.000 0.314 1020 W C -0.238 176.283 176.519 0.004 0.000 1.062 1020 W CA -1.093 56.234 57.345 -0.029 0.000 1.211 1020 W CB 1.458 30.965 29.460 0.078 0.000 1.305 1020 W HN 0.854 nan 8.180 nan 0.000 0.476 1021 C N 3.922 123.455 119.300 0.389 0.000 3.285 1021 C HA 0.706 5.180 4.460 0.024 0.000 0.320 1021 C C -0.412 174.702 174.990 0.206 0.000 1.411 1021 C CA -0.895 58.288 59.018 0.275 0.000 1.429 1021 C CB 1.483 29.328 27.740 0.176 0.000 1.812 1021 C HN 0.735 nan 8.230 nan 0.000 0.454 1022 Q N 1.697 121.571 119.800 0.124 0.000 2.230 1022 Q HA 0.647 5.002 4.340 0.024 0.000 0.248 1022 Q C -0.520 175.482 176.000 0.004 0.000 0.915 1022 Q CA -0.246 55.577 55.803 0.033 0.000 0.900 1022 Q CB 1.162 29.886 28.738 -0.024 0.000 1.229 1022 Q HN 0.878 nan 8.270 nan 0.000 0.439 1023 K N 0.000 120.373 120.400 -0.045 0.000 2.780 1023 K HA 0.000 4.334 4.320 0.024 0.000 0.191 1023 K CA 0.000 56.266 56.287 -0.035 0.000 0.838 1023 K CB 0.000 32.487 32.500 -0.022 0.000 1.064 1023 K HN 0.000 nan 8.250 nan 0.000 0.543