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 1jz4_1_A 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 0.000 176.071 176.300 -0.381 0.000 0.893 13 R CA 0.000 55.961 56.100 -0.232 0.000 0.921 13 R CB 0.000 30.163 30.300 -0.229 0.000 0.687 14 R N 1.401 121.556 120.500 -0.575 0.000 3.956 14 R HA 0.121 4.468 4.340 0.012 0.000 0.237 14 R C -0.285 175.441 176.300 -0.957 0.000 1.552 14 R CA -0.405 54.920 56.100 -1.292 0.000 1.529 14 R CB 0.156 29.826 30.300 -1.051 0.000 1.376 14 R HN 0.486 nan 8.270 nan 0.000 0.733 15 D N 1.090 121.140 120.400 -0.582 0.000 2.271 15 D HA -0.195 4.452 4.640 0.012 0.000 0.207 15 D C 1.382 177.606 176.300 -0.126 0.000 0.983 15 D CA 1.177 54.959 54.000 -0.363 0.000 0.878 15 D CB 0.117 40.563 40.800 -0.590 0.000 0.920 15 D HN 0.643 nan 8.370 nan 0.000 0.479 16 W N 0.938 122.273 121.300 0.058 0.000 3.180 16 W HA 0.214 4.881 4.660 0.012 0.000 0.254 16 W C 0.535 177.158 176.519 0.173 0.000 1.318 16 W CA -0.220 57.260 57.345 0.225 0.000 1.608 16 W CB -0.282 29.361 29.460 0.305 0.000 1.124 16 W HN -0.183 nan 8.180 nan 0.000 0.694 17 E N 1.109 121.178 120.200 -0.220 0.000 3.157 17 E HA 0.055 4.412 4.350 0.012 0.000 0.203 17 E C -0.788 175.667 176.600 -0.242 0.000 0.982 17 E CA -0.212 56.089 56.400 -0.166 0.000 1.217 17 E CB -0.240 29.330 29.700 -0.216 0.000 1.123 17 E HN 0.038 nan 8.360 nan 0.000 0.457 18 N N 0.794 119.393 118.700 -0.168 0.000 2.699 18 N HA 0.121 4.869 4.740 0.012 0.000 0.271 18 N C -2.467 172.921 175.510 -0.203 0.000 1.216 18 N CA -1.784 51.128 53.050 -0.230 0.000 0.844 18 N CB 1.408 39.763 38.487 -0.221 0.000 1.462 18 N HN -0.190 nan 8.380 nan 0.000 0.555 19 P HA 0.098 nan 4.420 nan 0.000 0.234 19 P C 1.055 178.140 177.300 -0.358 0.000 1.167 19 P CA 0.574 63.399 63.100 -0.457 0.000 0.763 19 P CB 0.115 31.099 31.700 -1.194 0.000 0.835 20 G N -0.550 108.070 108.800 -0.300 0.000 2.623 20 G HA2 0.056 4.024 3.960 0.012 0.000 0.214 20 G HA3 0.056 4.024 3.960 0.012 0.000 0.214 20 G C 0.245 175.070 174.900 -0.125 0.000 1.138 20 G CA 0.195 45.165 45.100 -0.218 0.000 0.794 20 G HN 0.211 nan 8.290 nan 0.000 0.535 21 V N 1.583 121.445 119.914 -0.087 0.000 2.349 21 V HA 0.314 4.442 4.120 0.012 0.000 0.284 21 V C 0.864 177.027 176.094 0.114 0.000 1.014 21 V CA 0.129 62.430 62.300 0.003 0.000 0.826 21 V CB 1.390 33.199 31.823 -0.023 0.000 1.009 21 V HN 0.328 nan 8.190 nan 0.000 0.431 22 T N 0.839 115.454 114.554 0.100 0.000 3.023 22 T HA 0.365 4.723 4.350 0.012 0.000 0.253 22 T C 0.233 174.986 174.700 0.089 0.000 1.038 22 T CA 0.125 62.286 62.100 0.102 0.000 0.962 22 T CB 0.291 69.174 68.868 0.025 0.000 1.018 22 T HN 0.709 nan 8.240 nan 0.000 0.521 23 Q N 0.158 120.063 119.800 0.175 0.000 2.776 23 Q HA 0.646 4.993 4.340 0.012 0.000 0.289 23 Q C -2.340 173.809 176.000 0.249 0.000 0.912 23 Q CA -1.042 54.863 55.803 0.169 0.000 0.789 23 Q CB 0.696 29.446 28.738 0.019 0.000 1.498 23 Q HN 0.221 nan 8.270 nan 0.000 0.408 24 L N 1.770 123.167 121.223 0.290 0.000 2.438 24 L HA 0.614 4.961 4.340 0.012 0.000 0.270 24 L C -0.550 176.449 176.870 0.215 0.000 0.972 24 L CA -0.909 54.092 54.840 0.268 0.000 0.831 24 L CB 1.918 44.235 42.059 0.431 0.000 1.273 24 L HN 0.864 nan 8.230 nan 0.000 0.405 25 N N 0.712 119.502 118.700 0.150 0.000 2.778 25 N HA -0.213 4.534 4.740 0.012 0.000 0.249 25 N C 0.240 175.831 175.510 0.135 0.000 1.069 25 N CA 0.847 53.980 53.050 0.137 0.000 0.831 25 N CB -0.837 37.687 38.487 0.061 0.000 1.142 25 N HN 0.657 nan 8.380 nan 0.000 0.573 26 R N 1.064 121.549 120.500 -0.024 0.000 2.438 26 R HA 0.348 4.695 4.340 0.012 0.000 0.287 26 R C 0.568 176.698 176.300 -0.282 0.000 1.077 26 R CA -0.262 55.556 56.100 -0.469 0.000 1.034 26 R CB 0.483 30.536 30.300 -0.412 0.000 0.993 26 R HN 0.134 nan 8.270 nan 0.000 0.459 27 L N 3.060 124.081 121.223 -0.337 0.000 2.466 27 L HA 0.304 4.651 4.340 0.012 0.000 0.257 27 L C 0.688 177.498 176.870 -0.099 0.000 1.189 27 L CA -0.595 54.162 54.840 -0.139 0.000 0.813 27 L CB 0.738 42.748 42.059 -0.081 0.000 1.118 27 L HN 0.776 nan 8.230 nan 0.000 0.471 28 A N 1.260 124.066 122.820 -0.023 0.000 2.483 28 A HA 0.467 4.794 4.320 0.012 0.000 0.238 28 A C 0.322 177.922 177.584 0.028 0.000 1.070 28 A CA 0.065 52.101 52.037 -0.001 0.000 0.770 28 A CB 0.146 19.168 19.000 0.036 0.000 1.008 28 A HN 0.798 nan 8.150 nan 0.000 0.497 29 A N 1.324 124.112 122.820 -0.052 0.000 2.313 29 A HA 0.703 5.030 4.320 0.012 0.000 0.261 29 A C 0.115 177.613 177.584 -0.143 0.000 1.090 29 A CA 0.498 52.426 52.037 -0.183 0.000 0.807 29 A CB -0.006 18.878 19.000 -0.194 0.000 1.055 29 A HN 1.943 nan 8.150 nan 0.000 0.492 30 H N -2.869 116.044 119.070 -0.261 0.000 2.904 30 H HA 0.601 5.164 4.556 0.012 0.000 0.290 30 H C -3.408 171.636 175.328 -0.472 0.000 1.437 30 H CA -1.721 54.121 56.048 -0.343 0.000 1.147 30 H CB -0.027 29.449 29.762 -0.477 0.000 1.824 30 H HN 0.387 nan 8.280 nan 0.000 0.505 31 P HA 0.215 nan 4.420 nan 0.000 0.274 31 P C -2.582 174.542 177.300 -0.292 0.000 1.256 31 P CA -1.445 61.438 63.100 -0.361 0.000 0.795 31 P CB -0.313 31.093 31.700 -0.489 0.000 1.038 32 P HA 0.059 nan 4.420 nan 0.000 0.262 32 P C -0.769 176.747 177.300 0.361 0.000 1.199 32 P CA 1.084 64.222 63.100 0.064 0.000 0.763 32 P CB -0.189 31.576 31.700 0.107 0.000 0.790 33 F N 1.498 121.552 119.950 0.173 0.000 2.556 33 F HA 0.607 5.141 4.527 0.012 0.000 0.327 33 F C 1.026 176.771 175.800 -0.092 0.000 1.059 33 F CA -1.032 57.024 58.000 0.094 0.000 0.953 33 F CB 2.173 41.201 39.000 0.047 0.000 1.227 33 F HN 0.218 nan 8.300 nan 0.000 0.478 34 A N 0.400 123.158 122.820 -0.103 0.000 2.591 34 A HA 0.231 4.558 4.320 0.012 0.000 0.204 34 A C 0.570 177.856 177.584 -0.495 0.000 1.410 34 A CA 0.470 52.210 52.037 -0.494 0.000 1.065 34 A CB -0.098 18.201 19.000 -1.168 0.000 1.362 34 A HN 0.777 nan 8.150 nan 0.000 0.566 35 S N 0.359 115.882 115.700 -0.295 0.000 3.524 35 S HA -0.146 4.331 4.470 0.012 0.000 0.377 35 S C 0.004 174.543 174.600 -0.102 0.000 0.949 35 S CA 0.471 58.563 58.200 -0.180 0.000 1.264 35 S CB -1.601 61.498 63.200 -0.169 0.000 0.918 35 S HN 0.464 nan 8.310 nan 0.000 0.517 36 W N 1.770 123.051 121.300 -0.032 0.000 2.126 36 W HA 0.313 4.980 4.660 0.012 0.000 0.346 36 W C 1.415 177.912 176.519 -0.037 0.000 1.279 36 W CA -0.634 56.697 57.345 -0.023 0.000 1.259 36 W CB 0.296 29.741 29.460 -0.023 0.000 1.133 36 W HN 0.351 nan 8.180 nan 0.000 0.592 37 R N 1.483 122.111 120.500 0.214 0.000 2.543 37 R HA 0.086 4.433 4.340 0.012 0.000 0.323 37 R C -0.076 176.275 176.300 0.084 0.000 1.002 37 R CA -0.102 56.061 56.100 0.105 0.000 1.106 37 R CB -0.180 30.151 30.300 0.051 0.000 1.280 37 R HN 0.363 nan 8.270 nan 0.000 0.549 38 N N 0.107 118.868 118.700 0.103 0.000 2.430 38 N HA 0.114 4.861 4.740 0.012 0.000 0.290 38 N C -0.121 175.349 175.510 -0.067 0.000 1.063 38 N CA -0.017 53.041 53.050 0.014 0.000 0.883 38 N CB 1.877 40.371 38.487 0.012 0.000 1.465 38 N HN -0.257 nan 8.380 nan 0.000 0.493 39 S N 2.368 118.011 115.700 -0.095 0.000 2.399 39 S HA -0.150 4.327 4.470 0.012 0.000 0.231 39 S C 1.384 175.809 174.600 -0.291 0.000 1.022 39 S CA 1.043 59.145 58.200 -0.162 0.000 0.983 39 S CB 0.018 63.157 63.200 -0.101 0.000 0.803 39 S HN 0.751 nan 8.310 nan 0.000 0.480 40 E N 1.624 121.670 120.200 -0.256 0.000 2.107 40 E HA -0.114 4.243 4.350 0.012 0.000 0.191 40 E C 1.834 178.205 176.600 -0.382 0.000 0.982 40 E CA 1.024 57.232 56.400 -0.320 0.000 0.809 40 E CB -0.137 29.433 29.700 -0.217 0.000 0.756 40 E HN 0.243 nan 8.360 nan 0.000 0.459 41 E N 0.286 120.269 120.200 -0.362 0.000 2.110 41 E HA -0.125 4.232 4.350 0.012 0.000 0.193 41 E C 1.966 177.948 176.600 -1.029 0.000 0.988 41 E CA 1.115 57.243 56.400 -0.454 0.000 0.804 41 E CB -0.554 29.001 29.700 -0.241 0.000 0.745 41 E HN 0.381 nan 8.360 nan 0.000 0.458 42 A N 1.530 123.570 122.820 -1.301 0.000 1.877 42 A HA -0.193 4.134 4.320 0.012 0.000 0.216 42 A C 2.255 179.252 177.584 -0.977 0.000 1.186 42 A CA 1.673 52.657 52.037 -1.756 0.000 0.620 42 A CB -0.506 18.018 19.000 -0.794 0.000 0.822 42 A HN 0.146 nan 8.150 nan 0.000 0.443 43 R N -0.244 119.851 120.500 -0.675 0.000 2.083 43 R HA -0.151 4.197 4.340 0.012 0.000 0.237 43 R C 2.122 178.157 176.300 -0.441 0.000 1.137 43 R CA 2.177 57.936 56.100 -0.569 0.000 0.951 43 R CB -0.537 29.305 30.300 -0.763 0.000 0.851 43 R HN 0.645 nan 8.270 nan 0.000 0.434 44 T N -2.546 111.758 114.554 -0.417 0.000 3.148 44 T HA -0.008 4.349 4.350 0.012 0.000 0.253 44 T C 0.394 174.990 174.700 -0.173 0.000 1.134 44 T CA 0.715 62.663 62.100 -0.254 0.000 1.051 44 T CB -0.019 68.729 68.868 -0.200 0.000 0.959 44 T HN 0.380 nan 8.240 nan 0.000 0.525 45 D N 0.671 120.916 120.400 -0.259 0.000 2.945 45 D HA -0.157 4.490 4.640 0.012 0.000 0.225 45 D C 0.076 176.471 176.300 0.159 0.000 1.158 45 D CA 0.495 54.503 54.000 0.012 0.000 0.805 45 D CB -1.109 39.754 40.800 0.105 0.000 1.098 45 D HN 0.624 nan 8.370 nan 0.000 0.426 46 R N 0.086 120.634 120.500 0.080 0.000 2.649 46 R HA 0.472 4.820 4.340 0.012 0.000 0.270 46 R C -2.097 174.465 176.300 0.437 0.000 1.105 46 R CA -1.289 54.926 56.100 0.192 0.000 1.193 46 R CB 0.082 30.442 30.300 0.099 0.000 1.120 46 R HN 0.071 nan 8.270 nan 0.000 0.561 47 P HA -0.036 nan 4.420 nan 0.000 0.267 47 P C -0.737 176.737 177.300 0.290 0.000 1.200 47 P CA 0.106 63.354 63.100 0.247 0.000 0.772 47 P CB 0.766 32.556 31.700 0.151 0.000 0.855 48 S N 1.389 117.139 115.700 0.083 0.000 2.451 48 S HA 0.137 4.614 4.470 0.012 0.000 0.301 48 S C 0.928 175.546 174.600 0.029 0.000 1.116 48 S CA -0.523 57.646 58.200 -0.051 0.000 1.093 48 S CB 0.516 63.333 63.200 -0.638 0.000 1.017 48 S HN 0.220 nan 8.310 nan 0.000 0.482 49 Q N 2.584 122.439 119.800 0.092 0.000 2.437 49 Q HA -0.025 4.323 4.340 0.012 0.000 0.210 49 Q C 0.962 177.083 176.000 0.202 0.000 0.972 49 Q CA 1.189 57.078 55.803 0.142 0.000 0.903 49 Q CB -0.081 28.742 28.738 0.141 0.000 0.967 49 Q HN 0.716 nan 8.270 nan 0.000 0.486 50 Q N -0.518 119.316 119.800 0.057 0.000 2.403 50 Q HA 0.092 4.439 4.340 0.012 0.000 0.203 50 Q C -0.266 175.787 176.000 0.088 0.000 0.932 50 Q CA 0.131 55.916 55.803 -0.030 0.000 0.945 50 Q CB 0.405 29.042 28.738 -0.167 0.000 1.045 50 Q HN 0.016 nan 8.270 nan 0.000 0.511 51 L N 0.968 122.255 121.223 0.107 0.000 2.353 51 L HA 0.440 4.787 4.340 0.012 0.000 0.270 51 L C -1.093 175.866 176.870 0.148 0.000 1.003 51 L CA -0.366 54.533 54.840 0.098 0.000 0.862 51 L CB 0.831 42.854 42.059 -0.060 0.000 1.221 51 L HN -0.090 nan 8.230 nan 0.000 0.430 52 R N 2.207 122.823 120.500 0.194 0.000 2.787 52 R HA 0.630 4.977 4.340 0.012 0.000 0.271 52 R C -0.612 175.708 176.300 0.034 0.000 0.993 52 R CA -0.807 55.350 56.100 0.096 0.000 0.993 52 R CB 2.022 32.339 30.300 0.027 0.000 1.155 52 R HN 0.605 nan 8.270 nan 0.000 0.486 53 S N 1.347 117.057 115.700 0.015 0.000 2.480 53 S HA 0.296 4.773 4.470 0.012 0.000 0.286 53 S C 0.467 175.058 174.600 -0.013 0.000 1.180 53 S CA -0.642 57.558 58.200 0.000 0.000 1.075 53 S CB 0.521 63.733 63.200 0.020 0.000 0.996 53 S HN 0.524 nan 8.310 nan 0.000 0.487 54 L N 3.893 125.101 121.223 -0.025 0.000 2.818 54 L HA 0.287 4.634 4.340 0.012 0.000 0.243 54 L C 0.157 177.150 176.870 0.206 0.000 1.185 54 L CA -0.320 54.515 54.840 -0.008 0.000 0.988 54 L CB -0.248 41.730 42.059 -0.135 0.000 1.292 54 L HN 0.532 nan 8.230 nan 0.000 0.519 55 N N 1.110 119.896 118.700 0.144 0.000 2.453 55 N HA 0.473 5.221 4.740 0.012 0.000 0.253 55 N C 0.655 176.303 175.510 0.230 0.000 1.252 55 N CA 0.945 54.103 53.050 0.180 0.000 0.917 55 N CB 1.357 39.876 38.487 0.053 0.000 1.117 55 N HN 0.292 nan 8.380 nan 0.000 0.442 56 G N 0.336 109.298 108.800 0.270 0.000 2.247 56 G HA2 -0.091 3.877 3.960 0.012 0.000 0.229 56 G HA3 -0.091 3.877 3.960 0.012 0.000 0.229 56 G C -1.480 173.648 174.900 0.379 0.000 1.345 56 G CA -0.797 44.450 45.100 0.245 0.000 1.100 56 G HN 0.469 nan 8.290 nan 0.000 0.473 57 E N 0.074 120.455 120.200 0.302 0.000 2.257 57 E HA 0.449 4.806 4.350 0.012 0.000 0.278 57 E C -0.999 175.853 176.600 0.419 0.000 1.049 57 E CA 0.037 56.619 56.400 0.303 0.000 0.876 57 E CB 0.808 30.609 29.700 0.168 0.000 1.035 57 E HN 0.358 nan 8.360 nan 0.000 0.419 58 W N 1.772 123.159 121.300 0.145 0.000 2.929 58 W HA 0.411 5.079 4.660 0.012 0.000 0.345 58 W C 0.035 176.683 176.519 0.214 0.000 1.151 58 W CA -0.736 56.728 57.345 0.200 0.000 1.111 58 W CB 0.925 30.552 29.460 0.279 0.000 1.449 58 W HN 0.188 nan 8.180 nan 0.000 0.572 59 R N 1.497 122.287 120.500 0.483 0.000 2.540 59 R HA 0.670 5.017 4.340 0.012 0.000 0.287 59 R C -1.465 175.106 176.300 0.452 0.000 0.980 59 R CA -0.949 55.373 56.100 0.369 0.000 0.966 59 R CB 1.412 31.875 30.300 0.272 0.000 1.106 59 R HN 0.553 nan 8.270 nan 0.000 0.480 60 F N -0.026 119.979 119.950 0.092 0.000 2.650 60 F HA 0.599 5.133 4.527 0.012 0.000 0.310 60 F C -1.773 173.896 175.800 -0.217 0.000 1.112 60 F CA -0.561 57.366 58.000 -0.122 0.000 0.986 60 F CB 1.890 40.686 39.000 -0.340 0.000 1.285 60 F HN 0.616 nan 8.300 nan 0.000 0.440 61 A N 4.103 126.202 122.820 -1.202 0.000 2.422 61 A HA 0.569 4.896 4.320 0.012 0.000 0.302 61 A C -2.446 174.242 177.584 -1.492 0.000 1.041 61 A CA -0.515 50.890 52.037 -1.054 0.000 0.708 61 A CB 0.815 19.509 19.000 -0.511 0.000 1.257 61 A HN 0.966 nan 8.150 nan 0.000 0.414 62 W N 3.221 123.706 121.300 -1.357 0.000 2.361 62 W HA 0.706 5.373 4.660 0.012 0.000 0.309 62 W C -1.740 174.184 176.519 -0.992 0.000 1.122 62 W CA -0.254 56.434 57.345 -1.096 0.000 1.208 62 W CB 0.776 29.852 29.460 -0.639 0.000 1.246 62 W HN 0.489 nan 8.180 nan 0.000 0.490 63 F N 7.026 126.273 119.950 -1.173 0.000 2.538 63 F HA 0.404 4.938 4.527 0.012 0.000 0.325 63 F C -1.142 173.737 175.800 -1.535 0.000 1.066 63 F CA -2.457 54.962 58.000 -0.967 0.000 0.946 63 F CB 1.609 40.214 39.000 -0.659 0.000 1.199 63 F HN 0.237 nan 8.300 nan 0.000 0.473 64 P HA 0.152 nan 4.420 nan 0.000 0.240 64 P C -0.452 176.710 177.300 -0.229 0.000 1.190 64 P CA 0.730 63.521 63.100 -0.516 0.000 0.781 64 P CB 0.771 32.486 31.700 0.023 0.000 0.931 65 A N -0.070 122.628 122.820 -0.204 0.000 2.605 65 A HA 0.521 4.848 4.320 0.012 0.000 0.294 65 A C -2.476 174.994 177.584 -0.191 0.000 1.062 65 A CA -1.022 50.942 52.037 -0.121 0.000 0.682 65 A CB 0.595 19.591 19.000 -0.006 0.000 1.278 65 A HN -0.297 nan 8.150 nan 0.000 0.410 66 P HA -0.088 nan 4.420 nan 0.000 0.220 66 P C 0.653 177.846 177.300 -0.179 0.000 1.148 66 P CA 1.383 64.329 63.100 -0.258 0.000 0.803 66 P CB 0.276 31.770 31.700 -0.344 0.000 0.782 67 E N -0.116 120.038 120.200 -0.077 0.000 2.418 67 E HA 0.010 4.368 4.350 0.012 0.000 0.197 67 E C 1.966 178.497 176.600 -0.115 0.000 1.026 67 E CA 0.912 57.281 56.400 -0.051 0.000 0.862 67 E CB -0.747 28.964 29.700 0.017 0.000 0.799 67 E HN 0.229 nan 8.360 nan 0.000 0.518 68 A N 0.271 122.988 122.820 -0.171 0.000 2.218 68 A HA 0.110 4.438 4.320 0.012 0.000 0.209 68 A C 0.695 177.992 177.584 -0.480 0.000 1.168 68 A CA -0.145 51.796 52.037 -0.161 0.000 0.804 68 A CB 0.313 19.332 19.000 0.032 0.000 0.834 68 A HN 0.039 nan 8.150 nan 0.000 0.482 69 V N 3.031 122.494 119.914 -0.752 0.000 2.508 69 V HA 0.226 4.354 4.120 0.012 0.000 0.281 69 V C -2.087 173.661 176.094 -0.577 0.000 1.041 69 V CA -1.375 60.233 62.300 -1.152 0.000 1.016 69 V CB 0.658 31.850 31.823 -1.052 0.000 0.984 69 V HN 0.354 nan 8.190 nan 0.000 0.478 70 P HA 0.226 nan 4.420 nan 0.000 0.284 70 P C 0.513 177.751 177.300 -0.104 0.000 1.253 70 P CA -0.425 62.565 63.100 -0.182 0.000 0.800 70 P CB 1.156 32.806 31.700 -0.084 0.000 0.961 71 E N 2.303 122.455 120.200 -0.079 0.000 2.219 71 E HA -0.251 4.106 4.350 0.012 0.000 0.198 71 E C 1.382 177.957 176.600 -0.041 0.000 0.998 71 E CA 2.244 58.605 56.400 -0.065 0.000 0.818 71 E CB -0.907 28.762 29.700 -0.052 0.000 0.741 71 E HN 0.370 nan 8.360 nan 0.000 0.477 72 S N -0.418 115.275 115.700 -0.011 0.000 2.400 72 S HA -0.218 4.260 4.470 0.012 0.000 0.232 72 S C 1.791 176.408 174.600 0.028 0.000 1.025 72 S CA 0.807 59.009 58.200 0.004 0.000 0.993 72 S CB -1.195 62.018 63.200 0.022 0.000 0.808 72 S HN 0.660 nan 8.310 nan 0.000 0.478 73 W N 2.349 123.549 121.300 -0.165 0.000 2.364 73 W HA -0.012 4.655 4.660 0.012 0.000 0.281 73 W C 1.587 177.993 176.519 -0.189 0.000 1.219 73 W CA 0.856 58.102 57.345 -0.167 0.000 1.220 73 W CB -0.281 29.053 29.460 -0.209 0.000 1.127 73 W HN 0.235 nan 8.180 nan 0.000 0.556 74 L N 0.282 121.290 121.223 -0.359 0.000 2.141 74 L HA -0.140 4.208 4.340 0.012 0.000 0.209 74 L C 2.415 179.064 176.870 -0.368 0.000 1.094 74 L CA 1.249 55.720 54.840 -0.614 0.000 0.763 74 L CB -0.629 41.129 42.059 -0.502 0.000 0.908 74 L HN -0.054 nan 8.230 nan 0.000 0.437 75 E N -0.737 119.335 120.200 -0.213 0.000 2.166 75 E HA 0.009 4.366 4.350 0.012 0.000 0.192 75 E C 0.492 177.029 176.600 -0.105 0.000 0.967 75 E CA 0.607 56.934 56.400 -0.121 0.000 0.840 75 E CB 0.388 30.047 29.700 -0.068 0.000 0.795 75 E HN 0.507 nan 8.360 nan 0.000 0.470 76 C N -0.893 118.350 119.300 -0.095 0.000 3.285 76 C HA 0.516 4.984 4.460 0.012 0.000 0.325 76 C C -0.334 174.650 174.990 -0.010 0.000 1.304 76 C CA -1.649 57.337 59.018 -0.054 0.000 1.319 76 C CB 0.831 28.557 27.740 -0.024 0.000 1.640 76 C HN 0.131 nan 8.230 nan 0.000 0.477 77 D N 0.584 120.994 120.400 0.016 0.000 2.488 77 D HA 0.325 4.973 4.640 0.012 0.000 0.238 77 D C -0.220 176.151 176.300 0.119 0.000 1.138 77 D CA 0.339 54.390 54.000 0.085 0.000 0.873 77 D CB 0.516 41.357 40.800 0.069 0.000 1.183 77 D HN 0.583 nan 8.370 nan 0.000 0.458 78 L N 5.958 127.292 121.223 0.185 0.000 2.319 78 L HA 0.225 4.573 4.340 0.012 0.000 0.280 78 L C -1.275 175.655 176.870 0.098 0.000 1.099 78 L CA -1.450 53.478 54.840 0.147 0.000 0.828 78 L CB 1.160 43.318 42.059 0.164 0.000 1.150 78 L HN 0.507 nan 8.230 nan 0.000 0.442 79 P HA -0.185 nan 4.420 nan 0.000 0.217 79 P C 0.803 178.131 177.300 0.046 0.000 1.150 79 P CA 1.047 64.179 63.100 0.053 0.000 0.832 79 P CB 0.117 31.841 31.700 0.041 0.000 0.787 80 E N -0.408 119.815 120.200 0.037 0.000 2.368 80 E HA 0.187 4.545 4.350 0.012 0.000 0.188 80 E C 0.209 176.820 176.600 0.019 0.000 1.061 80 E CA -0.328 56.084 56.400 0.021 0.000 0.933 80 E CB -0.457 29.242 29.700 -0.002 0.000 1.091 80 E HN -0.017 nan 8.360 nan 0.000 0.458 81 A N 0.845 123.692 122.820 0.045 0.000 2.332 81 A HA 0.344 4.671 4.320 0.012 0.000 0.258 81 A C -0.306 177.340 177.584 0.104 0.000 1.087 81 A CA -0.415 51.654 52.037 0.054 0.000 0.802 81 A CB 0.484 19.540 19.000 0.094 0.000 1.042 81 A HN 0.161 nan 8.150 nan 0.000 0.489 82 D N -0.258 120.239 120.400 0.162 0.000 2.340 82 D HA 0.544 5.192 4.640 0.012 0.000 0.243 82 D C -0.561 175.858 176.300 0.199 0.000 0.988 82 D CA 0.005 54.116 54.000 0.184 0.000 0.959 82 D CB 1.507 42.468 40.800 0.269 0.000 1.226 82 D HN 0.400 nan 8.370 nan 0.000 0.509 83 T N 0.343 114.990 114.554 0.156 0.000 2.837 83 T HA 0.552 4.909 4.350 0.012 0.000 0.285 83 T C 0.202 174.985 174.700 0.140 0.000 0.984 83 T CA -0.567 61.634 62.100 0.168 0.000 1.049 83 T CB 0.970 69.915 68.868 0.129 0.000 0.947 83 T HN 0.274 nan 8.240 nan 0.000 0.472 84 V N 0.586 120.602 119.914 0.170 0.000 3.160 84 V HA 0.813 4.940 4.120 0.012 0.000 0.310 84 V C -0.419 175.772 176.094 0.161 0.000 1.181 84 V CA -1.059 61.288 62.300 0.077 0.000 1.047 84 V CB 1.582 33.441 31.823 0.061 0.000 1.068 84 V HN 0.555 nan 8.190 nan 0.000 0.441 85 V N 1.222 121.215 119.914 0.133 0.000 2.607 85 V HA 0.589 4.717 4.120 0.012 0.000 0.289 85 V C -0.049 176.107 176.094 0.103 0.000 1.053 85 V CA -0.153 62.228 62.300 0.136 0.000 0.996 85 V CB 1.458 33.339 31.823 0.096 0.000 0.995 85 V HN 0.751 nan 8.190 nan 0.000 0.476 86 V N 6.322 126.220 119.914 -0.027 0.000 2.709 86 V HA 0.478 4.606 4.120 0.012 0.000 0.308 86 V C -2.345 173.628 176.094 -0.202 0.000 1.062 86 V CA -1.648 60.490 62.300 -0.270 0.000 0.901 86 V CB 2.656 33.930 31.823 -0.915 0.000 1.003 86 V HN 0.776 nan 8.190 nan 0.000 0.425 87 P HA 0.467 nan 4.420 nan 0.000 0.277 87 P C -0.898 176.323 177.300 -0.131 0.000 1.240 87 P CA -0.149 62.816 63.100 -0.226 0.000 0.798 87 P CB 1.543 33.121 31.700 -0.203 0.000 0.979 88 S N 0.572 116.206 115.700 -0.110 0.000 2.611 88 S HA 0.444 4.921 4.470 0.012 0.000 0.268 88 S C -1.264 173.269 174.600 -0.112 0.000 1.156 88 S CA -0.985 57.143 58.200 -0.121 0.000 0.817 88 S CB 0.569 63.677 63.200 -0.153 0.000 1.122 88 S HN 0.346 nan 8.310 nan 0.000 0.466 89 N N 1.219 119.787 118.700 -0.220 0.000 2.444 89 N HA 0.388 5.136 4.740 0.012 0.000 0.262 89 N C 0.429 175.752 175.510 -0.311 0.000 0.974 89 N CA -0.827 52.059 53.050 -0.273 0.000 0.933 89 N CB 0.692 38.992 38.487 -0.312 0.000 1.137 89 N HN 0.849 nan 8.380 nan 0.000 0.498 90 W N 2.665 123.825 121.300 -0.235 0.000 2.387 90 W HA -0.117 4.551 4.660 0.012 0.000 0.272 90 W C 0.923 177.425 176.519 -0.029 0.000 1.224 90 W CA 0.770 57.985 57.345 -0.216 0.000 1.210 90 W CB -0.341 29.000 29.460 -0.197 0.000 1.125 90 W HN 0.493 nan 8.180 nan 0.000 0.572 91 Q N 0.503 120.249 119.800 -0.090 0.000 2.224 91 Q HA -0.101 4.246 4.340 0.012 0.000 0.203 91 Q C 2.163 178.095 176.000 -0.114 0.000 0.970 91 Q CA 1.806 57.562 55.803 -0.079 0.000 0.865 91 Q CB -0.520 28.053 28.738 -0.273 0.000 0.922 91 Q HN 0.308 nan 8.270 nan 0.000 0.445 92 M N -0.931 118.560 119.600 -0.182 0.000 2.562 92 M HA -0.035 4.453 4.480 0.012 0.000 0.257 92 M C 0.596 176.943 176.300 0.079 0.000 1.099 92 M CA 1.303 56.528 55.300 -0.125 0.000 1.099 92 M CB -0.558 31.948 32.600 -0.158 0.000 1.427 92 M HN 0.362 nan 8.290 nan 0.000 0.489 93 H N -0.473 118.640 119.070 0.071 0.000 2.529 93 H HA 0.296 4.859 4.556 0.012 0.000 0.277 93 H C 1.205 176.458 175.328 -0.126 0.000 1.004 93 H CA 0.052 56.123 56.048 0.040 0.000 1.167 93 H CB 0.331 30.232 29.762 0.233 0.000 1.445 93 H HN 0.572 nan 8.280 nan 0.000 0.554 94 G N 0.638 109.468 108.800 0.051 0.000 2.143 94 G HA2 -0.366 3.601 3.960 0.012 0.000 0.249 94 G HA3 -0.366 3.601 3.960 0.012 0.000 0.249 94 G C 0.343 175.147 174.900 -0.160 0.000 0.981 94 G CA 0.314 45.371 45.100 -0.072 0.000 0.665 94 G HN 0.491 nan 8.290 nan 0.000 0.528 95 Y N 1.436 121.778 120.300 0.070 0.000 2.457 95 Y HA 0.300 4.858 4.550 0.012 0.000 0.292 95 Y C 1.517 177.186 175.900 -0.384 0.000 1.125 95 Y CA 1.322 59.347 58.100 -0.125 0.000 1.254 95 Y CB 0.321 38.792 38.460 0.019 0.000 1.012 95 Y HN 0.647 nan 8.280 nan 0.000 0.555 96 D N -2.078 118.371 120.400 0.082 0.000 2.725 96 D HA 0.434 5.081 4.640 0.012 0.000 0.292 96 D C -1.134 175.235 176.300 0.115 0.000 1.288 96 D CA -0.792 53.243 54.000 0.059 0.000 0.784 96 D CB 0.598 41.532 40.800 0.223 0.000 1.308 96 D HN -0.069 nan 8.370 nan 0.000 0.429 97 A N 0.008 122.903 122.820 0.125 0.000 2.340 97 A HA 0.673 5.000 4.320 0.012 0.000 0.268 97 A C -2.302 175.289 177.584 0.013 0.000 1.100 97 A CA -0.985 51.105 52.037 0.089 0.000 0.803 97 A CB -0.097 19.026 19.000 0.205 0.000 1.043 97 A HN 0.529 nan 8.150 nan 0.000 0.488 98 P HA 0.488 nan 4.420 nan 0.000 0.288 98 P C -0.975 176.481 177.300 0.260 0.000 1.267 98 P CA -0.062 62.950 63.100 -0.147 0.000 0.815 98 P CB 0.893 32.202 31.700 -0.652 0.000 0.989 99 I N 2.964 123.784 120.570 0.416 0.000 2.378 99 I HA 0.241 4.418 4.170 0.012 0.000 0.291 99 I C -0.304 176.028 176.117 0.359 0.000 0.992 99 I CA -0.892 60.665 61.300 0.428 0.000 1.154 99 I CB 1.221 39.406 38.000 0.307 0.000 1.315 99 I HN 0.297 nan 8.210 nan 0.000 0.448 100 Y N 6.560 126.840 120.300 -0.034 0.000 2.717 100 Y HA 0.455 5.012 4.550 0.012 0.000 0.329 100 Y C -0.166 175.577 175.900 -0.260 0.000 1.017 100 Y CA -0.476 57.300 58.100 -0.539 0.000 1.275 100 Y CB 0.830 38.392 38.460 -1.496 0.000 1.109 100 Y HN 0.540 nan 8.280 nan 0.000 0.511 101 T N 4.542 118.614 114.554 -0.805 0.000 2.885 101 T HA 0.263 4.620 4.350 0.012 0.000 0.285 101 T C 0.339 174.574 174.700 -0.775 0.000 1.019 101 T CA -0.514 61.135 62.100 -0.752 0.000 1.010 101 T CB 1.095 69.747 68.868 -0.360 0.000 1.022 101 T HN 0.768 nan 8.240 nan 0.000 0.466 102 N N 2.634 120.935 118.700 -0.666 0.000 2.349 102 N HA 0.082 4.829 4.740 0.012 0.000 0.202 102 N C 1.521 176.775 175.510 -0.427 0.000 1.041 102 N CA 1.320 54.111 53.050 -0.431 0.000 0.970 102 N CB -0.628 37.631 38.487 -0.379 0.000 1.173 102 N HN 0.372 nan 8.380 nan 0.000 0.493 103 V N 0.405 119.999 119.914 -0.534 0.000 2.492 103 V HA 0.131 4.258 4.120 0.012 0.000 0.241 103 V C 0.343 176.143 176.094 -0.490 0.000 1.041 103 V CA 0.917 62.831 62.300 -0.643 0.000 1.057 103 V CB -0.700 30.633 31.823 -0.817 0.000 0.711 103 V HN 0.350 nan 8.190 nan 0.000 0.468 104 T N 1.107 115.434 114.554 -0.378 0.000 2.908 104 T HA 0.110 4.468 4.350 0.012 0.000 0.301 104 T C -0.362 174.206 174.700 -0.221 0.000 1.019 104 T CA 0.275 62.226 62.100 -0.248 0.000 1.152 104 T CB -0.237 68.512 68.868 -0.197 0.000 0.966 104 T HN 0.176 nan 8.240 nan 0.000 0.540 105 Y N 4.681 124.876 120.300 -0.175 0.000 2.578 105 Y HA 0.123 4.680 4.550 0.012 0.000 0.339 105 Y C -0.811 174.949 175.900 -0.234 0.000 1.231 105 Y CA -1.688 56.292 58.100 -0.198 0.000 1.461 105 Y CB 0.416 38.746 38.460 -0.216 0.000 1.323 105 Y HN 0.514 nan 8.280 nan 0.000 0.590 106 P HA -0.015 nan 4.420 nan 0.000 0.242 106 P C -0.426 176.622 177.300 -0.420 0.000 1.197 106 P CA 1.072 64.040 63.100 -0.221 0.000 0.765 106 P CB -0.116 31.467 31.700 -0.195 0.000 0.936 107 I N -5.690 114.629 120.570 -0.418 0.000 3.042 107 I HA 0.496 4.673 4.170 0.012 0.000 0.310 107 I C -0.474 175.497 176.117 -0.243 0.000 1.117 107 I CA -1.264 59.755 61.300 -0.467 0.000 1.003 107 I CB 1.704 39.290 38.000 -0.691 0.000 1.228 107 I HN -0.474 nan 8.210 nan 0.000 0.443 108 T N 2.544 117.002 114.554 -0.161 0.000 2.940 108 T HA 0.148 4.505 4.350 0.012 0.000 0.309 108 T C 0.161 174.835 174.700 -0.043 0.000 1.056 108 T CA -0.156 61.903 62.100 -0.068 0.000 1.137 108 T CB 0.730 69.585 68.868 -0.022 0.000 0.976 108 T HN 0.383 nan 8.240 nan 0.000 0.547 109 V N 4.910 124.819 119.914 -0.008 0.000 2.352 109 V HA 0.231 4.358 4.120 0.012 0.000 0.253 109 V C 0.644 176.798 176.094 0.100 0.000 1.083 109 V CA -0.193 62.129 62.300 0.037 0.000 0.993 109 V CB -0.232 31.600 31.823 0.015 0.000 1.111 109 V HN 0.832 nan 8.190 nan 0.000 0.490 110 N N 5.967 124.792 118.700 0.208 0.000 2.673 110 N HA 0.266 5.013 4.740 0.012 0.000 0.265 110 N C -2.874 172.737 175.510 0.168 0.000 1.709 110 N CA -1.375 51.789 53.050 0.189 0.000 0.792 110 N CB 1.437 40.065 38.487 0.235 0.000 1.286 110 N HN 0.264 nan 8.380 nan 0.000 0.506 111 P HA 0.163 nan 4.420 nan 0.000 0.266 111 P C -2.269 174.826 177.300 -0.342 0.000 1.195 111 P CA -0.669 62.053 63.100 -0.629 0.000 0.768 111 P CB 0.557 31.762 31.700 -0.824 0.000 0.838 112 P HA 0.240 nan 4.420 nan 0.000 0.266 112 P C -0.368 176.760 177.300 -0.286 0.000 1.561 112 P CA -0.314 62.520 63.100 -0.445 0.000 1.089 112 P CB -0.004 31.418 31.700 -0.464 0.000 1.534 113 F N 0.945 120.988 119.950 0.155 0.000 2.410 113 F HA 0.271 4.805 4.527 0.013 0.000 0.334 113 F C 1.468 177.445 175.800 0.295 0.000 1.134 113 F CA -0.672 57.444 58.000 0.193 0.000 1.227 113 F CB 0.675 39.741 39.000 0.110 0.000 1.194 113 F HN -0.208 nan 8.300 nan 0.000 0.571 114 V N -0.893 119.304 119.914 0.472 0.000 3.166 114 V HA 0.710 4.837 4.120 0.012 0.000 0.317 114 V C -2.686 173.574 176.094 0.277 0.000 1.136 114 V CA -2.651 59.855 62.300 0.343 0.000 1.035 114 V CB 1.222 33.318 31.823 0.455 0.000 1.110 114 V HN 0.467 nan 8.190 nan 0.000 0.450 115 P HA 0.300 nan 4.420 nan 0.000 0.274 115 P C 0.851 178.295 177.300 0.241 0.000 1.237 115 P CA 0.074 63.275 63.100 0.168 0.000 0.793 115 P CB 0.689 32.460 31.700 0.118 0.000 0.977 116 T N -2.196 112.468 114.554 0.183 0.000 2.951 116 T HA -0.071 4.286 4.350 0.012 0.000 0.268 116 T C 0.392 175.204 174.700 0.186 0.000 1.073 116 T CA 0.818 63.031 62.100 0.189 0.000 1.134 116 T CB -0.507 68.441 68.868 0.134 0.000 0.884 116 T HN 0.440 nan 8.240 nan 0.000 0.479 117 E N 2.554 122.867 120.200 0.188 0.000 2.001 117 E HA 0.332 4.690 4.350 0.012 0.000 0.279 117 E C -0.748 176.026 176.600 0.289 0.000 1.045 117 E CA -0.461 56.058 56.400 0.199 0.000 0.833 117 E CB 0.256 30.074 29.700 0.196 0.000 1.077 117 E HN 0.144 nan 8.360 nan 0.000 0.397 118 N N 4.290 123.127 118.700 0.229 0.000 2.623 118 N HA 0.225 4.972 4.740 0.012 0.000 0.256 118 N C -2.844 172.682 175.510 0.026 0.000 1.045 118 N CA -2.550 50.654 53.050 0.257 0.000 0.863 118 N CB 1.086 39.726 38.487 0.255 0.000 1.182 118 N HN 0.075 nan 8.380 nan 0.000 0.523 119 P HA 0.007 nan 4.420 nan 0.000 0.261 119 P C -0.799 176.387 177.300 -0.190 0.000 1.173 119 P CA 0.517 63.537 63.100 -0.134 0.000 0.760 119 P CB 0.431 32.386 31.700 0.425 0.000 0.783 120 T N 2.837 117.016 114.554 -0.625 0.000 2.812 120 T HA 0.527 4.885 4.350 0.012 0.000 0.282 120 T C 0.303 174.495 174.700 -0.848 0.000 0.990 120 T CA -0.532 61.267 62.100 -0.501 0.000 0.960 120 T CB 1.409 70.018 68.868 -0.432 0.000 0.948 120 T HN 0.338 nan 8.240 nan 0.000 0.438 121 G N 1.282 109.673 108.800 -0.682 0.000 2.404 121 G HA2 0.420 4.387 3.960 0.012 0.000 0.316 121 G HA3 0.420 4.387 3.960 0.012 0.000 0.316 121 G C -0.025 174.671 174.900 -0.341 0.000 1.074 121 G CA -0.321 44.300 45.100 -0.799 0.000 0.989 121 G HN 0.861 nan 8.290 nan 0.000 0.430 122 C N 3.891 122.740 119.300 -0.751 0.000 2.158 122 C HA 0.397 4.864 4.460 0.012 0.000 0.350 122 C C -0.358 174.626 174.990 -0.009 0.000 1.064 122 C CA -0.973 57.737 59.018 -0.514 0.000 1.507 122 C CB -2.059 25.010 27.740 -1.117 0.000 1.934 122 C HN 0.612 nan 8.230 nan 0.000 0.479 123 Y N 1.880 122.485 120.300 0.507 0.000 2.376 123 Y HA 0.628 5.185 4.550 0.012 0.000 0.325 123 Y C 0.849 177.206 175.900 0.761 0.000 1.199 123 Y CA -0.310 58.202 58.100 0.686 0.000 1.206 123 Y CB 1.225 40.085 38.460 0.667 0.000 1.229 123 Y HN 0.629 nan 8.280 nan 0.000 0.480 124 S N 1.830 118.030 115.700 0.832 0.000 2.570 124 S HA 0.823 5.300 4.470 0.012 0.000 0.270 124 S C -1.850 172.843 174.600 0.156 0.000 1.149 124 S CA -0.856 57.607 58.200 0.438 0.000 0.837 124 S CB 2.231 65.584 63.200 0.254 0.000 1.124 124 S HN 0.628 nan 8.310 nan 0.000 0.465 125 L N 0.646 121.790 121.223 -0.131 0.000 2.565 125 L HA 0.658 5.005 4.340 0.012 0.000 0.261 125 L C -1.309 175.533 176.870 -0.046 0.000 0.932 125 L CA 0.151 54.786 54.840 -0.342 0.000 0.878 125 L CB 2.236 43.591 42.059 -1.173 0.000 1.333 125 L HN 0.915 nan 8.230 nan 0.000 0.409 126 T N 5.427 119.971 114.554 -0.016 0.000 2.795 126 T HA 0.773 5.130 4.350 0.012 0.000 0.282 126 T C -0.775 173.970 174.700 0.075 0.000 0.980 126 T CA -0.034 62.076 62.100 0.017 0.000 1.012 126 T CB 0.464 69.303 68.868 -0.048 0.000 0.936 126 T HN 0.459 nan 8.240 nan 0.000 0.457 127 F N 0.681 120.535 119.950 -0.160 0.000 2.685 127 F HA 0.739 5.273 4.527 0.012 0.000 0.315 127 F C -0.738 174.984 175.800 -0.130 0.000 1.126 127 F CA -1.591 56.315 58.000 -0.157 0.000 0.950 127 F CB 1.241 40.123 39.000 -0.196 0.000 1.360 127 F HN 0.350 nan 8.300 nan 0.000 0.469 128 N N 0.148 118.768 118.700 -0.134 0.000 2.509 128 N HA 0.594 5.342 4.740 0.012 0.000 0.287 128 N C -1.819 173.572 175.510 -0.199 0.000 1.121 128 N CA -0.379 52.537 53.050 -0.222 0.000 0.977 128 N CB 1.806 40.214 38.487 -0.132 0.000 1.167 128 N HN 0.640 nan 8.380 nan 0.000 0.476 129 V N 2.504 122.269 119.914 -0.249 0.000 2.483 129 V HA 0.268 4.396 4.120 0.012 0.000 0.297 129 V C -0.751 175.225 176.094 -0.198 0.000 1.027 129 V CA -0.964 61.199 62.300 -0.228 0.000 0.855 129 V CB 1.557 33.316 31.823 -0.106 0.000 0.995 129 V HN 0.705 nan 8.190 nan 0.000 0.424 130 D N 2.826 123.048 120.400 -0.296 0.000 2.382 130 D HA 0.090 4.737 4.640 0.012 0.000 0.245 130 D C 1.063 177.377 176.300 0.023 0.000 1.120 130 D CA 0.060 53.981 54.000 -0.131 0.000 0.890 130 D CB 1.761 42.492 40.800 -0.114 0.000 1.201 130 D HN 0.746 nan 8.370 nan 0.000 0.433 131 E N 1.015 121.239 120.200 0.040 0.000 2.160 131 E HA -0.208 4.149 4.350 0.012 0.000 0.195 131 E C 1.624 178.300 176.600 0.126 0.000 0.991 131 E CA 1.367 57.811 56.400 0.074 0.000 0.810 131 E CB 0.221 29.945 29.700 0.040 0.000 0.742 131 E HN 0.459 nan 8.360 nan 0.000 0.466 132 S N -0.407 115.379 115.700 0.144 0.000 2.383 132 S HA -0.194 4.283 4.470 0.012 0.000 0.229 132 S C 1.568 176.266 174.600 0.164 0.000 1.030 132 S CA 1.005 59.286 58.200 0.136 0.000 1.002 132 S CB -0.807 62.473 63.200 0.134 0.000 0.829 132 S HN 0.426 nan 8.310 nan 0.000 0.467 133 W N 1.716 122.980 121.300 -0.061 0.000 2.392 133 W HA 0.236 4.903 4.660 0.012 0.000 0.279 133 W C 1.915 178.531 176.519 0.161 0.000 1.225 133 W CA 0.219 57.557 57.345 -0.013 0.000 1.233 133 W CB -0.506 29.008 29.460 0.091 0.000 1.122 133 W HN 0.315 nan 8.180 nan 0.000 0.561 134 L N -0.460 120.950 121.223 0.311 0.000 2.554 134 L HA 0.024 4.371 4.340 0.012 0.000 0.225 134 L C 2.224 179.184 176.870 0.150 0.000 1.104 134 L CA 0.317 55.289 54.840 0.221 0.000 0.866 134 L CB -0.498 41.659 42.059 0.162 0.000 1.047 134 L HN -0.127 nan 8.230 nan 0.000 0.468 135 Q N 1.093 120.969 119.800 0.127 0.000 2.369 135 Q HA -0.028 4.320 4.340 0.012 0.000 0.206 135 Q C 0.131 176.181 176.000 0.083 0.000 0.963 135 Q CA 0.704 56.557 55.803 0.084 0.000 0.894 135 Q CB 0.333 29.108 28.738 0.061 0.000 0.965 135 Q HN 0.673 nan 8.270 nan 0.000 0.475 136 E N -2.370 117.904 120.200 0.123 0.000 2.422 136 E HA 0.487 4.844 4.350 0.012 0.000 0.280 136 E C -0.190 176.523 176.600 0.188 0.000 1.091 136 E CA -0.452 56.018 56.400 0.116 0.000 0.849 136 E CB 0.721 30.471 29.700 0.084 0.000 1.353 136 E HN 0.027 nan 8.360 nan 0.000 0.449 137 G N 0.530 109.374 108.800 0.075 0.000 2.697 137 G HA2 -0.279 3.688 3.960 0.012 0.000 0.240 137 G HA3 -0.279 3.688 3.960 0.012 0.000 0.240 137 G C -0.686 174.112 174.900 -0.170 0.000 1.346 137 G CA 0.240 45.287 45.100 -0.088 0.000 0.887 137 G HN 0.762 nan 8.290 nan 0.000 0.569 138 Q N -0.655 118.907 119.800 -0.396 0.000 2.337 138 Q HA 0.655 5.002 4.340 0.012 0.000 0.266 138 Q C -0.939 174.888 176.000 -0.289 0.000 1.023 138 Q CA -0.466 55.196 55.803 -0.234 0.000 0.829 138 Q CB 1.546 30.186 28.738 -0.163 0.000 1.306 138 Q HN 0.626 nan 8.270 nan 0.000 0.449 139 T N 4.690 119.239 114.554 -0.009 0.000 2.791 139 T HA 0.466 4.823 4.350 0.012 0.000 0.288 139 T C -0.728 174.074 174.700 0.171 0.000 0.999 139 T CA -0.693 61.496 62.100 0.148 0.000 0.952 139 T CB 0.623 69.736 68.868 0.408 0.000 0.938 139 T HN 0.653 nan 8.240 nan 0.000 0.444 140 R N 2.943 123.534 120.500 0.150 0.000 2.778 140 R HA 0.795 5.142 4.340 0.012 0.000 0.277 140 R C -1.057 175.341 176.300 0.163 0.000 0.977 140 R CA -0.955 55.235 56.100 0.151 0.000 0.950 140 R CB 1.505 31.864 30.300 0.099 0.000 1.165 140 R HN 0.595 nan 8.270 nan 0.000 0.474 141 I N 2.616 123.288 120.570 0.169 0.000 2.525 141 I HA 0.464 4.642 4.170 0.012 0.000 0.301 141 I C -1.140 175.034 176.117 0.095 0.000 0.992 141 I CA -1.286 60.069 61.300 0.091 0.000 1.162 141 I CB 1.412 39.472 38.000 0.101 0.000 1.332 141 I HN 0.659 nan 8.210 nan 0.000 0.458 142 I N 6.921 127.441 120.570 -0.083 0.000 2.447 142 I HA 0.297 4.475 4.170 0.012 0.000 0.287 142 I C -1.346 174.649 176.117 -0.204 0.000 1.023 142 I CA -0.358 60.925 61.300 -0.028 0.000 1.083 142 I CB 1.615 39.601 38.000 -0.024 0.000 1.245 142 I HN 0.376 nan 8.210 nan 0.000 0.434 143 F N 4.540 124.496 119.950 0.010 0.000 2.332 143 F HA 0.279 4.813 4.527 0.012 0.000 0.368 143 F C 1.316 177.012 175.800 -0.174 0.000 1.110 143 F CA -0.513 57.416 58.000 -0.119 0.000 1.087 143 F CB 0.754 39.630 39.000 -0.205 0.000 1.235 143 F HN 0.450 nan 8.300 nan 0.000 0.470 144 D N 2.309 122.623 120.400 -0.143 0.000 2.218 144 D HA 0.036 4.683 4.640 0.012 0.000 0.204 144 D C 1.002 177.128 176.300 -0.290 0.000 0.976 144 D CA 1.027 54.894 54.000 -0.221 0.000 0.853 144 D CB 0.355 40.967 40.800 -0.313 0.000 0.939 144 D HN 0.636 nan 8.370 nan 0.000 0.481 145 G N -0.584 107.981 108.800 -0.391 0.000 2.505 145 G HA2 0.440 4.408 3.960 0.012 0.000 0.292 145 G HA3 0.440 4.408 3.960 0.012 0.000 0.292 145 G C -1.515 173.163 174.900 -0.370 0.000 1.332 145 G CA -0.435 44.338 45.100 -0.545 0.000 1.286 145 G HN -0.053 nan 8.290 nan 0.000 0.606 146 V N 2.438 122.326 119.914 -0.042 0.000 2.569 146 V HA 0.552 4.679 4.120 0.012 0.000 0.301 146 V C -0.890 175.284 176.094 0.132 0.000 1.044 146 V CA -1.153 61.107 62.300 -0.066 0.000 0.874 146 V CB 2.005 33.472 31.823 -0.593 0.000 1.002 146 V HN 0.710 nan 8.190 nan 0.000 0.424 147 N N 2.400 121.161 118.700 0.102 0.000 2.443 147 N HA 0.350 5.097 4.740 0.012 0.000 0.269 147 N C 0.555 175.998 175.510 -0.112 0.000 0.985 147 N CA 0.137 53.157 53.050 -0.050 0.000 0.921 147 N CB 2.241 40.521 38.487 -0.345 0.000 1.195 147 N HN 0.673 nan 8.380 nan 0.000 0.492 148 S N 1.866 117.543 115.700 -0.038 0.000 2.526 148 S HA 0.584 5.062 4.470 0.012 0.000 0.220 148 S C 0.344 175.013 174.600 0.115 0.000 1.017 148 S CA 0.084 58.312 58.200 0.047 0.000 0.930 148 S CB 0.340 63.587 63.200 0.079 0.000 0.856 148 S HN 0.660 nan 8.310 nan 0.000 0.497 149 A N 0.867 123.769 122.820 0.136 0.000 2.612 149 A HA 0.778 5.105 4.320 0.012 0.000 0.293 149 A C -1.329 176.362 177.584 0.179 0.000 1.075 149 A CA -1.026 51.064 52.037 0.088 0.000 0.680 149 A CB 0.854 19.943 19.000 0.149 0.000 1.279 149 A HN 1.042 nan 8.150 nan 0.000 0.411 150 F N -0.635 119.122 119.950 -0.322 0.000 2.678 150 F HA 0.731 5.265 4.527 0.012 0.000 0.308 150 F C -1.020 174.677 175.800 -0.172 0.000 1.118 150 F CA -0.831 57.083 58.000 -0.142 0.000 0.959 150 F CB 1.202 40.119 39.000 -0.139 0.000 1.305 150 F HN 0.622 nan 8.300 nan 0.000 0.443 151 H N 1.992 121.200 119.070 0.230 0.000 2.499 151 H HA 0.699 5.262 4.556 0.012 0.000 0.340 151 H C -1.397 173.900 175.328 -0.051 0.000 1.148 151 H CA -0.732 55.336 56.048 0.034 0.000 1.215 151 H CB 2.557 32.327 29.762 0.012 0.000 1.529 151 H HN 0.785 nan 8.280 nan 0.000 0.510 152 L N 2.993 123.995 121.223 -0.369 0.000 2.385 152 L HA 0.402 4.749 4.340 0.012 0.000 0.273 152 L C -1.607 175.006 176.870 -0.429 0.000 0.990 152 L CA -0.459 54.224 54.840 -0.262 0.000 0.821 152 L CB 1.498 43.249 42.059 -0.514 0.000 1.279 152 L HN 0.520 nan 8.230 nan 0.000 0.412 153 W N 4.242 125.488 121.300 -0.089 0.000 2.781 153 W HA 0.600 5.267 4.660 0.013 0.000 0.345 153 W C -1.138 175.313 176.519 -0.114 0.000 1.085 153 W CA -0.868 56.419 57.345 -0.096 0.000 1.198 153 W CB 2.076 31.523 29.460 -0.021 0.000 1.423 153 W HN 0.576 nan 8.180 nan 0.000 0.532 154 C N 4.290 123.666 119.300 0.127 0.000 2.397 154 C HA 0.288 4.755 4.460 0.012 0.000 0.325 154 C C 0.313 175.432 174.990 0.215 0.000 1.201 154 C CA -0.352 58.740 59.018 0.125 0.000 1.377 154 C CB -0.531 27.219 27.740 0.016 0.000 2.038 154 C HN 0.806 nan 8.230 nan 0.000 0.457 155 N N 3.442 122.226 118.700 0.140 0.000 2.727 155 N HA -0.193 4.554 4.740 0.012 0.000 0.249 155 N C 0.985 176.563 175.510 0.114 0.000 1.048 155 N CA 2.066 55.176 53.050 0.099 0.000 0.714 155 N CB -1.240 37.316 38.487 0.115 0.000 0.959 155 N HN 1.789 nan 8.380 nan 0.000 0.544 156 G N -1.241 107.618 108.800 0.099 0.000 2.179 156 G HA2 -0.366 3.601 3.960 0.012 0.000 0.260 156 G HA3 -0.366 3.601 3.960 0.012 0.000 0.260 156 G C 0.133 175.199 174.900 0.276 0.000 0.977 156 G CA 0.607 45.760 45.100 0.088 0.000 0.641 156 G HN 0.533 nan 8.290 nan 0.000 0.533 157 R N -0.880 119.852 120.500 0.386 0.000 2.338 157 R HA 0.354 4.702 4.340 0.012 0.000 0.317 157 R C -0.302 176.331 176.300 0.555 0.000 0.968 157 R CA -0.931 55.470 56.100 0.502 0.000 0.849 157 R CB 0.896 31.512 30.300 0.527 0.000 1.128 157 R HN 0.199 nan 8.270 nan 0.000 0.448 158 W N 4.597 126.073 121.300 0.294 0.000 2.489 158 W HA -0.011 4.656 4.660 0.012 0.000 0.327 158 W C 0.226 176.648 176.519 -0.161 0.000 1.436 158 W CA 0.201 57.406 57.345 -0.235 0.000 1.315 158 W CB 0.525 29.825 29.460 -0.267 0.000 1.373 158 W HN 0.372 nan 8.180 nan 0.000 0.557 159 V N 5.908 125.105 119.914 -1.196 0.000 2.521 159 V HA 0.462 4.589 4.120 0.012 0.000 0.239 159 V C 1.254 176.301 176.094 -1.745 0.000 1.053 159 V CA 1.387 62.893 62.300 -1.324 0.000 1.073 159 V CB -0.595 30.486 31.823 -1.236 0.000 0.746 159 V HN 0.798 nan 8.190 nan 0.000 0.476 160 G N -2.044 105.464 108.800 -2.152 0.000 2.348 160 G HA2 0.418 4.385 3.960 0.012 0.000 0.296 160 G HA3 0.418 4.385 3.960 0.012 0.000 0.296 160 G C -2.384 172.007 174.900 -0.848 0.000 1.258 160 G CA -0.284 43.836 45.100 -1.633 0.000 0.868 160 G HN -0.021 nan 8.290 nan 0.000 0.488 161 Y N -0.328 119.642 120.300 -0.550 0.000 2.504 161 Y HA 0.669 5.226 4.550 0.012 0.000 0.344 161 Y C 0.017 175.722 175.900 -0.326 0.000 1.023 161 Y CA 0.080 57.875 58.100 -0.508 0.000 1.020 161 Y CB 2.250 40.571 38.460 -0.231 0.000 1.282 161 Y HN 1.150 nan 8.280 nan 0.000 0.454 162 G N 3.833 111.872 108.800 -1.268 0.000 2.659 162 G HA2 0.618 4.585 3.960 0.012 0.000 0.296 162 G HA3 0.618 4.585 3.960 0.012 0.000 0.296 162 G C -2.029 172.441 174.900 -0.716 0.000 1.369 162 G CA -0.818 43.815 45.100 -0.778 0.000 0.937 162 G HN 0.592 nan 8.290 nan 0.000 0.485 163 Q N -0.321 119.313 119.800 -0.278 0.000 2.587 163 Q HA 0.557 4.904 4.340 0.012 0.000 0.293 163 Q C -1.470 174.546 176.000 0.028 0.000 1.083 163 Q CA -0.843 54.913 55.803 -0.079 0.000 0.792 163 Q CB 2.760 31.489 28.738 -0.015 0.000 1.484 163 Q HN 0.640 nan 8.270 nan 0.000 0.446 164 D N -0.056 120.392 120.400 0.080 0.000 4.303 164 D HA -0.093 4.554 4.640 0.012 0.000 0.230 164 D C -0.436 175.935 176.300 0.119 0.000 1.172 164 D CA 0.468 54.527 54.000 0.099 0.000 1.001 164 D CB -0.463 40.379 40.800 0.070 0.000 0.641 164 D HN 0.567 nan 8.370 nan 0.000 0.296 165 S N 3.075 118.855 115.700 0.134 0.000 2.500 165 S HA -0.102 4.375 4.470 0.012 0.000 0.239 165 S C 1.611 176.355 174.600 0.241 0.000 0.989 165 S CA 0.640 58.946 58.200 0.176 0.000 0.951 165 S CB 0.240 63.497 63.200 0.094 0.000 0.759 165 S HN 0.454 nan 8.310 nan 0.000 0.523 166 R N 0.069 120.668 120.500 0.165 0.000 2.472 166 R HA 0.422 4.770 4.340 0.012 0.000 0.279 166 R C -0.213 176.147 176.300 0.099 0.000 0.953 166 R CA 0.089 56.285 56.100 0.159 0.000 1.088 166 R CB 0.120 30.534 30.300 0.190 0.000 1.197 166 R HN 0.337 nan 8.270 nan 0.000 0.536 167 L N 1.434 122.688 121.223 0.052 0.000 2.350 167 L HA 0.504 4.852 4.340 0.012 0.000 0.260 167 L C -2.387 174.463 176.870 -0.033 0.000 1.015 167 L CA -2.389 52.451 54.840 -0.000 0.000 0.821 167 L CB 2.788 44.841 42.059 -0.011 0.000 1.370 167 L HN -0.215 nan 8.230 nan 0.000 0.416 168 P HA 0.084 nan 4.420 nan 0.000 0.271 168 P C -0.978 176.296 177.300 -0.044 0.000 1.216 168 P CA -0.161 62.896 63.100 -0.071 0.000 0.771 168 P CB 1.019 32.639 31.700 -0.133 0.000 0.864 169 S N 2.331 118.070 115.700 0.065 0.000 2.474 169 S HA 0.284 4.761 4.470 0.012 0.000 0.321 169 S C -0.322 174.309 174.600 0.051 0.000 1.080 169 S CA -0.612 57.622 58.200 0.056 0.000 1.106 169 S CB 0.699 64.116 63.200 0.362 0.000 0.984 169 S HN 0.374 nan 8.310 nan 0.000 0.464 170 E N 2.451 122.468 120.200 -0.305 0.000 2.210 170 E HA 0.518 4.875 4.350 0.012 0.000 0.266 170 E C -1.375 174.852 176.600 -0.622 0.000 0.883 170 E CA -0.506 55.761 56.400 -0.222 0.000 0.761 170 E CB 1.598 31.253 29.700 -0.074 0.000 1.156 170 E HN 0.403 nan 8.360 nan 0.000 0.412 171 F N 0.732 120.734 119.950 0.088 0.000 2.563 171 F HA 0.207 4.741 4.527 0.013 0.000 0.316 171 F C 0.116 175.935 175.800 0.031 0.000 1.076 171 F CA -1.122 56.887 58.000 0.014 0.000 0.921 171 F CB 1.620 40.588 39.000 -0.053 0.000 1.209 171 F HN 0.294 nan 8.300 nan 0.000 0.462 172 D N 2.772 123.295 120.400 0.204 0.000 2.316 172 D HA 0.238 4.885 4.640 0.012 0.000 0.245 172 D C 0.274 176.704 176.300 0.217 0.000 1.171 172 D CA 0.200 54.301 54.000 0.170 0.000 0.856 172 D CB 0.937 41.818 40.800 0.135 0.000 1.090 172 D HN 0.548 nan 8.370 nan 0.000 0.476 173 L N 2.814 124.170 121.223 0.223 0.000 2.607 173 L HA 0.036 4.384 4.340 0.012 0.000 0.228 173 L C 2.091 179.186 176.870 0.374 0.000 1.123 173 L CA -0.183 54.830 54.840 0.288 0.000 0.890 173 L CB -0.018 42.181 42.059 0.233 0.000 1.103 173 L HN 0.303 nan 8.230 nan 0.000 0.468 174 S N 1.442 117.305 115.700 0.271 0.000 2.378 174 S HA -0.296 4.181 4.470 0.012 0.000 0.229 174 S C 1.950 176.660 174.600 0.183 0.000 1.052 174 S CA 2.023 60.345 58.200 0.203 0.000 1.084 174 S CB -0.150 63.127 63.200 0.129 0.000 0.950 174 S HN 0.576 nan 8.310 nan 0.000 0.440 175 A N -0.866 122.052 122.820 0.165 0.000 2.238 175 A HA 0.346 4.673 4.320 0.012 0.000 0.208 175 A C 1.205 178.731 177.584 -0.096 0.000 1.177 175 A CA 0.226 52.260 52.037 -0.005 0.000 0.804 175 A CB -0.418 18.506 19.000 -0.127 0.000 0.823 175 A HN 0.479 nan 8.150 nan 0.000 0.482 176 F N -0.776 119.217 119.950 0.071 0.000 2.717 176 F HA 0.365 4.899 4.527 0.012 0.000 0.297 176 F C 0.630 176.470 175.800 0.067 0.000 1.113 176 F CA -0.044 57.998 58.000 0.069 0.000 1.319 176 F CB 0.161 39.208 39.000 0.078 0.000 1.097 176 F HN -0.006 nan 8.300 nan 0.000 0.595 177 L N 0.663 122.039 121.223 0.254 0.000 2.400 177 L HA 0.599 4.947 4.340 0.012 0.000 0.264 177 L C -0.054 176.865 176.870 0.082 0.000 1.061 177 L CA -0.902 54.033 54.840 0.158 0.000 0.799 177 L CB 1.276 43.443 42.059 0.179 0.000 1.240 177 L HN -0.039 nan 8.230 nan 0.000 0.461 178 R N 0.516 121.027 120.500 0.019 0.000 2.774 178 R HA 0.803 5.151 4.340 0.012 0.000 0.272 178 R C -1.095 175.188 176.300 -0.029 0.000 1.000 178 R CA -0.981 55.121 56.100 0.003 0.000 0.906 178 R CB 1.434 31.725 30.300 -0.015 0.000 1.227 178 R HN 0.562 nan 8.270 nan 0.000 0.468 179 A N 1.209 124.021 122.820 -0.014 0.000 2.561 179 A HA 0.430 4.757 4.320 0.012 0.000 0.234 179 A C 1.186 178.727 177.584 -0.072 0.000 1.055 179 A CA 1.235 53.253 52.037 -0.031 0.000 0.756 179 A CB -0.893 18.101 19.000 -0.010 0.000 0.986 179 A HN 1.374 nan 8.150 nan 0.000 0.505 180 G N 1.492 110.232 108.800 -0.099 0.000 2.509 180 G HA2 -0.207 3.760 3.960 0.012 0.000 0.256 180 G HA3 -0.207 3.760 3.960 0.012 0.000 0.256 180 G C -0.021 174.754 174.900 -0.209 0.000 1.152 180 G CA 0.299 45.322 45.100 -0.128 0.000 0.951 180 G HN 1.047 nan 8.290 nan 0.000 0.559 181 E N 1.983 122.066 120.200 -0.194 0.000 2.366 181 E HA 0.346 4.704 4.350 0.012 0.000 0.266 181 E C 0.011 176.418 176.600 -0.321 0.000 1.015 181 E CA 0.116 56.361 56.400 -0.257 0.000 0.906 181 E CB 0.204 29.804 29.700 -0.166 0.000 0.979 181 E HN 0.409 nan 8.360 nan 0.000 0.443 182 N N 2.751 121.117 118.700 -0.557 0.000 2.284 182 N HA 0.367 5.114 4.740 0.012 0.000 0.289 182 N C -1.050 174.183 175.510 -0.461 0.000 1.179 182 N CA -0.724 51.994 53.050 -0.554 0.000 0.774 182 N CB 2.399 40.407 38.487 -0.798 0.000 1.548 182 N HN 0.311 nan 8.380 nan 0.000 0.473 183 R N 1.704 122.127 120.500 -0.128 0.000 2.561 183 R HA 0.518 4.865 4.340 0.012 0.000 0.297 183 R C -1.280 175.105 176.300 0.141 0.000 0.969 183 R CA -0.503 55.617 56.100 0.033 0.000 0.879 183 R CB 1.059 31.333 30.300 -0.043 0.000 1.178 183 R HN 0.480 nan 8.270 nan 0.000 0.445 184 L N 2.876 124.211 121.223 0.188 0.000 2.344 184 L HA 0.785 5.132 4.340 0.012 0.000 0.272 184 L C -0.263 176.650 176.870 0.073 0.000 1.035 184 L CA -1.084 53.853 54.840 0.162 0.000 0.807 184 L CB 1.943 44.099 42.059 0.162 0.000 1.237 184 L HN 0.777 nan 8.230 nan 0.000 0.442 185 A N 2.269 125.133 122.820 0.074 0.000 2.357 185 A HA 0.721 5.048 4.320 0.012 0.000 0.295 185 A C -1.020 176.768 177.584 0.341 0.000 1.121 185 A CA -0.452 51.498 52.037 -0.146 0.000 0.742 185 A CB 1.419 19.786 19.000 -1.056 0.000 1.181 185 A HN 0.366 nan 8.150 nan 0.000 0.454 186 V N 3.056 123.352 119.914 0.636 0.000 2.378 186 V HA 0.490 4.618 4.120 0.012 0.000 0.288 186 V C 0.010 176.642 176.094 0.896 0.000 1.016 186 V CA -0.314 62.399 62.300 0.688 0.000 0.840 186 V CB 1.415 33.486 31.823 0.413 0.000 0.994 186 V HN 0.953 nan 8.190 nan 0.000 0.431 187 M N 5.953 126.096 119.600 0.904 0.000 2.080 187 M HA 0.501 4.988 4.480 0.012 0.000 0.350 187 M C -1.270 175.303 176.300 0.454 0.000 1.143 187 M CA -0.407 55.285 55.300 0.653 0.000 1.064 187 M CB 0.982 34.014 32.600 0.720 0.000 1.429 187 M HN 0.497 nan 8.290 nan 0.000 0.418 188 V N 6.772 126.914 119.914 0.380 0.000 2.385 188 V HA 0.279 4.407 4.120 0.012 0.000 0.269 188 V C -0.095 176.156 176.094 0.262 0.000 1.043 188 V CA -0.578 61.942 62.300 0.366 0.000 0.906 188 V CB 0.927 33.071 31.823 0.536 0.000 0.995 188 V HN 0.761 nan 8.190 nan 0.000 0.467 189 L N 5.403 126.713 121.223 0.146 0.000 2.281 189 L HA 0.457 4.804 4.340 0.012 0.000 0.285 189 L C 1.646 178.530 176.870 0.024 0.000 1.074 189 L CA -0.078 54.773 54.840 0.018 0.000 0.817 189 L CB 0.543 42.513 42.059 -0.147 0.000 1.168 189 L HN 0.612 nan 8.230 nan 0.000 0.434 190 R N 3.190 123.660 120.500 -0.050 0.000 2.081 190 R HA -0.075 4.272 4.340 0.012 0.000 0.235 190 R C -0.329 175.644 176.300 -0.546 0.000 1.131 190 R CA 1.289 57.130 56.100 -0.432 0.000 0.960 190 R CB 0.197 30.088 30.300 -0.681 0.000 0.856 190 R HN 0.580 nan 8.270 nan 0.000 0.436 191 W N 0.022 121.393 121.300 0.118 0.000 2.689 191 W HA 0.433 5.100 4.660 0.012 0.000 0.340 191 W C -0.336 176.305 176.519 0.204 0.000 1.060 191 W CA -0.769 56.654 57.345 0.130 0.000 1.218 191 W CB 1.788 31.327 29.460 0.132 0.000 1.410 191 W HN 0.034 nan 8.180 nan 0.000 0.528 192 S N -1.182 114.817 115.700 0.498 0.000 2.661 192 S HA 0.174 4.651 4.470 0.012 0.000 0.268 192 S C -0.069 174.807 174.600 0.461 0.000 1.162 192 S CA -0.480 58.027 58.200 0.513 0.000 0.817 192 S CB 1.017 64.486 63.200 0.449 0.000 1.141 192 S HN 0.628 nan 8.310 nan 0.000 0.477 193 D N 0.206 120.874 120.400 0.447 0.000 2.351 193 D HA 0.111 4.758 4.640 0.012 0.000 0.216 193 D C 1.662 178.281 176.300 0.531 0.000 0.968 193 D CA 1.009 55.317 54.000 0.513 0.000 0.899 193 D CB -0.561 40.417 40.800 0.297 0.000 0.907 193 D HN 0.696 nan 8.370 nan 0.000 0.514 194 G N 0.284 109.318 108.800 0.390 0.000 2.422 194 G HA2 -0.239 3.729 3.960 0.012 0.000 0.218 194 G HA3 -0.239 3.729 3.960 0.012 0.000 0.218 194 G C 1.704 176.801 174.900 0.327 0.000 1.140 194 G CA 0.575 45.874 45.100 0.332 0.000 0.775 194 G HN 0.309 nan 8.290 nan 0.000 0.545 195 S N 0.232 116.117 115.700 0.308 0.000 2.402 195 S HA -0.167 4.311 4.470 0.012 0.000 0.233 195 S C 1.924 176.650 174.600 0.209 0.000 1.030 195 S CA 1.010 59.361 58.200 0.252 0.000 1.003 195 S CB -0.468 62.884 63.200 0.252 0.000 0.813 195 S HN 0.542 nan 8.310 nan 0.000 0.477 196 Y N 1.158 121.578 120.300 0.200 0.000 2.403 196 Y HA 0.061 4.618 4.550 0.012 0.000 0.291 196 Y C 1.653 177.663 175.900 0.182 0.000 1.143 196 Y CA 0.637 58.776 58.100 0.064 0.000 1.257 196 Y CB -0.266 38.078 38.460 -0.194 0.000 0.984 196 Y HN 0.205 nan 8.280 nan 0.000 0.550 197 L N -0.398 121.021 121.223 0.327 0.000 2.667 197 L HA 0.127 4.475 4.340 0.012 0.000 0.232 197 L C 0.025 177.037 176.870 0.236 0.000 1.138 197 L CA 0.340 55.327 54.840 0.244 0.000 0.921 197 L CB 0.095 42.296 42.059 0.236 0.000 1.180 197 L HN 0.114 nan 8.230 nan 0.000 0.487 198 E N -0.057 120.298 120.200 0.259 0.000 3.582 198 E HA 0.045 4.403 4.350 0.012 0.000 0.217 198 E C -0.446 176.265 176.600 0.186 0.000 1.092 198 E CA -0.094 56.439 56.400 0.222 0.000 1.365 198 E CB 0.434 30.255 29.700 0.200 0.000 1.278 198 E HN 0.023 nan 8.360 nan 0.000 0.439 199 D N 1.179 121.648 120.400 0.115 0.000 2.538 199 D HA 0.020 4.667 4.640 0.012 0.000 0.234 199 D C -0.181 176.117 176.300 -0.003 0.000 1.191 199 D CA -0.088 53.868 54.000 -0.073 0.000 0.828 199 D CB 0.142 40.629 40.800 -0.522 0.000 0.981 199 D HN 0.086 nan 8.370 nan 0.000 0.490 200 Q N 0.347 120.231 119.800 0.141 0.000 2.432 200 Q HA 0.099 4.446 4.340 0.012 0.000 0.264 200 Q C 0.010 176.125 176.000 0.192 0.000 1.035 200 Q CA 0.131 56.080 55.803 0.244 0.000 0.908 200 Q CB 0.538 29.573 28.738 0.495 0.000 1.280 200 Q HN 0.019 nan 8.270 nan 0.000 0.455 201 D N 2.588 123.130 120.400 0.237 0.000 2.541 201 D HA 0.135 4.783 4.640 0.012 0.000 0.231 201 D C -0.744 175.718 176.300 0.270 0.000 1.163 201 D CA 0.147 54.274 54.000 0.213 0.000 1.077 201 D CB -0.513 40.408 40.800 0.202 0.000 1.110 201 D HN 0.493 nan 8.370 nan 0.000 0.499 202 M N -0.481 119.237 119.600 0.197 0.000 3.008 202 M HA 0.430 4.917 4.480 0.012 0.000 0.271 202 M C -1.300 175.077 176.300 0.128 0.000 1.265 202 M CA -1.145 54.193 55.300 0.063 0.000 0.817 202 M CB 1.108 33.651 32.600 -0.094 0.000 1.638 202 M HN -0.144 nan 8.290 nan 0.000 0.479 203 W N 2.344 123.726 121.300 0.136 0.000 2.264 203 W HA 0.294 4.961 4.660 0.012 0.000 0.331 203 W C 0.274 176.813 176.519 0.032 0.000 1.364 203 W CA -0.075 57.341 57.345 0.119 0.000 1.253 203 W CB 0.332 29.804 29.460 0.020 0.000 1.215 203 W HN 0.280 nan 8.180 nan 0.000 0.561 204 R N 5.270 125.949 120.500 0.298 0.000 2.272 204 R HA 0.302 4.649 4.340 0.012 0.000 0.334 204 R C -0.042 176.271 176.300 0.020 0.000 1.117 204 R CA 0.051 56.252 56.100 0.169 0.000 0.966 204 R CB -0.222 30.254 30.300 0.293 0.000 1.049 204 R HN 0.567 nan 8.270 nan 0.000 0.477 205 M N 0.256 119.760 119.600 -0.160 0.000 2.758 205 M HA 0.466 4.953 4.480 0.012 0.000 0.281 205 M C 0.168 176.122 176.300 -0.577 0.000 1.082 205 M CA -0.777 54.305 55.300 -0.362 0.000 0.866 205 M CB 2.026 34.409 32.600 -0.362 0.000 1.662 205 M HN 0.606 nan 8.290 nan 0.000 0.515 206 S N -1.210 114.015 115.700 -0.792 0.000 2.611 206 S HA 0.929 5.407 4.470 0.012 0.000 0.268 206 S C -0.637 173.470 174.600 -0.821 0.000 1.156 206 S CA -0.149 57.495 58.200 -0.926 0.000 0.817 206 S CB 1.754 64.264 63.200 -1.151 0.000 1.122 206 S HN 1.449 nan 8.310 nan 0.000 0.466 207 G N 0.043 108.614 108.800 -0.383 0.000 2.353 207 G HA2 0.166 4.134 3.960 0.012 0.000 0.615 207 G HA3 0.166 4.134 3.960 0.012 0.000 0.615 207 G C -1.300 173.607 174.900 0.012 0.000 1.280 207 G CA -0.587 44.576 45.100 0.105 0.000 1.000 207 G HN 1.270 nan 8.290 nan 0.000 0.516 208 I N 1.921 122.340 120.570 -0.251 0.000 2.241 208 I HA 0.281 4.458 4.170 0.012 0.000 0.294 208 I C 1.239 177.224 176.117 -0.220 0.000 1.145 208 I CA -0.286 60.781 61.300 -0.389 0.000 1.261 208 I CB -0.204 37.318 38.000 -0.797 0.000 1.475 208 I HN 0.524 nan 8.210 nan 0.000 0.533 209 F N 3.982 123.770 119.950 -0.269 0.000 2.765 209 F HA 0.424 4.958 4.527 0.012 0.000 0.302 209 F C 0.808 176.517 175.800 -0.151 0.000 1.111 209 F CA -0.485 57.392 58.000 -0.204 0.000 1.359 209 F CB 0.084 38.971 39.000 -0.188 0.000 1.097 209 F HN 0.146 nan 8.300 nan 0.000 0.577 210 R N 0.506 120.565 120.500 -0.736 0.000 2.960 210 R HA 0.249 4.596 4.340 0.012 0.000 0.249 210 R C -0.728 175.348 176.300 -0.374 0.000 1.192 210 R CA -1.171 54.596 56.100 -0.556 0.000 1.035 210 R CB 0.600 30.483 30.300 -0.696 0.000 1.234 210 R HN -0.028 nan 8.270 nan 0.000 0.493 211 D N 0.732 120.954 120.400 -0.297 0.000 2.419 211 D HA 0.120 4.768 4.640 0.012 0.000 0.236 211 D C -0.440 175.702 176.300 -0.265 0.000 1.165 211 D CA 0.301 54.168 54.000 -0.222 0.000 0.882 211 D CB 0.751 41.461 40.800 -0.150 0.000 1.201 211 D HN -0.011 nan 8.370 nan 0.000 0.443 212 V N 1.048 120.815 119.914 -0.245 0.000 2.495 212 V HA 0.568 4.695 4.120 0.012 0.000 0.298 212 V C 0.020 175.980 176.094 -0.224 0.000 1.031 212 V CA -0.532 61.558 62.300 -0.350 0.000 0.871 212 V CB 1.614 33.249 31.823 -0.314 0.000 0.988 212 V HN 0.767 nan 8.190 nan 0.000 0.432 213 S N 4.462 120.013 115.700 -0.249 0.000 2.607 213 S HA 0.853 5.330 4.470 0.012 0.000 0.273 213 S C -1.494 173.049 174.600 -0.094 0.000 1.148 213 S CA -0.848 57.278 58.200 -0.124 0.000 0.833 213 S CB 2.105 65.266 63.200 -0.065 0.000 1.130 213 S HN 0.388 nan 8.310 nan 0.000 0.470 214 L N 1.516 122.749 121.223 0.017 0.000 2.349 214 L HA 0.704 5.052 4.340 0.012 0.000 0.278 214 L C -1.366 175.704 176.870 0.334 0.000 0.996 214 L CA -0.680 54.255 54.840 0.160 0.000 0.825 214 L CB 1.428 43.560 42.059 0.121 0.000 1.243 214 L HN 0.806 nan 8.230 nan 0.000 0.412 215 L N 4.492 125.877 121.223 0.269 0.000 2.319 215 L HA 0.451 4.798 4.340 0.012 0.000 0.281 215 L C -0.813 176.052 176.870 -0.009 0.000 1.005 215 L CA -0.158 54.770 54.840 0.146 0.000 0.828 215 L CB 0.947 43.057 42.059 0.085 0.000 1.227 215 L HN 0.551 nan 8.230 nan 0.000 0.415 216 H N 5.654 124.486 119.070 -0.397 0.000 2.604 216 H HA 0.424 4.987 4.556 0.012 0.000 0.306 216 H C -1.109 174.002 175.328 -0.361 0.000 1.075 216 H CA -0.328 55.340 56.048 -0.634 0.000 1.357 216 H CB 0.892 29.768 29.762 -1.477 0.000 1.426 216 H HN 0.523 nan 8.280 nan 0.000 0.470 217 K N 5.518 125.551 120.400 -0.612 0.000 2.328 217 K HA 0.396 4.724 4.320 0.012 0.000 0.246 217 K C -2.672 173.712 176.600 -0.361 0.000 0.955 217 K CA -2.044 54.039 56.287 -0.339 0.000 0.817 217 K CB 2.079 34.437 32.500 -0.236 0.000 1.208 217 K HN 0.479 nan 8.250 nan 0.000 0.432 218 P HA 0.179 nan 4.420 nan 0.000 0.276 218 P C 0.497 177.733 177.300 -0.108 0.000 1.252 218 P CA -0.196 62.848 63.100 -0.093 0.000 0.802 218 P CB 0.483 32.160 31.700 -0.038 0.000 1.035 219 T N -1.036 113.478 114.554 -0.067 0.000 2.746 219 T HA -0.052 4.305 4.350 0.012 0.000 0.267 219 T C 0.623 175.290 174.700 -0.054 0.000 1.039 219 T CA 1.633 63.699 62.100 -0.055 0.000 1.142 219 T CB -0.582 68.270 68.868 -0.026 0.000 0.866 219 T HN 0.415 nan 8.240 nan 0.000 0.444 220 T N 3.692 118.221 114.554 -0.041 0.000 2.738 220 T HA 0.446 4.804 4.350 0.012 0.000 0.298 220 T C -0.230 174.435 174.700 -0.058 0.000 0.962 220 T CA -0.596 61.474 62.100 -0.050 0.000 0.972 220 T CB 0.548 69.407 68.868 -0.016 0.000 0.928 220 T HN 0.476 nan 8.240 nan 0.000 0.474 221 Q N 2.686 122.435 119.800 -0.084 0.000 2.565 221 Q HA 0.558 4.906 4.340 0.012 0.000 0.294 221 Q C -1.287 174.658 176.000 -0.093 0.000 1.005 221 Q CA -1.123 54.621 55.803 -0.098 0.000 0.771 221 Q CB 1.262 29.924 28.738 -0.126 0.000 1.486 221 Q HN 0.453 nan 8.270 nan 0.000 0.422 222 I N 2.855 123.345 120.570 -0.133 0.000 2.421 222 I HA 0.009 4.187 4.170 0.012 0.000 0.291 222 I C 0.724 176.778 176.117 -0.105 0.000 1.089 222 I CA 0.100 61.338 61.300 -0.103 0.000 1.354 222 I CB 0.959 38.835 38.000 -0.208 0.000 1.413 222 I HN 0.846 nan 8.210 nan 0.000 0.513 223 S N 2.766 118.513 115.700 0.080 0.000 2.540 223 S HA 0.211 4.689 4.470 0.012 0.000 0.218 223 S C 0.077 174.914 174.600 0.395 0.000 0.977 223 S CA -0.347 57.976 58.200 0.205 0.000 0.918 223 S CB 0.200 63.457 63.200 0.094 0.000 0.806 223 S HN 0.713 nan 8.310 nan 0.000 0.496 224 D N -0.137 120.517 120.400 0.423 0.000 2.766 224 D HA 0.432 5.079 4.640 0.012 0.000 0.244 224 D C -1.848 174.700 176.300 0.414 0.000 1.198 224 D CA -0.674 53.578 54.000 0.420 0.000 0.739 224 D CB 1.170 42.106 40.800 0.227 0.000 1.379 224 D HN 0.213 nan 8.370 nan 0.000 0.437 225 F N -0.224 119.867 119.950 0.235 0.000 2.615 225 F HA 0.639 5.174 4.527 0.012 0.000 0.312 225 F C -1.414 174.550 175.800 0.273 0.000 1.119 225 F CA -0.810 57.261 58.000 0.117 0.000 0.979 225 F CB 1.363 40.433 39.000 0.117 0.000 1.266 225 F HN 0.236 nan 8.300 nan 0.000 0.444 226 H N 2.132 121.293 119.070 0.151 0.000 2.529 226 H HA 0.734 5.297 4.556 0.012 0.000 0.348 226 H C -1.316 174.050 175.328 0.064 0.000 1.079 226 H CA -1.537 54.520 56.048 0.014 0.000 1.198 226 H CB 2.712 32.462 29.762 -0.019 0.000 1.521 226 H HN 0.593 nan 8.280 nan 0.000 0.514 227 V N 2.379 122.380 119.914 0.145 0.000 2.409 227 V HA 0.588 4.715 4.120 0.012 0.000 0.291 227 V C -0.169 175.914 176.094 -0.018 0.000 1.020 227 V CA -0.578 61.764 62.300 0.071 0.000 0.848 227 V CB 1.204 33.073 31.823 0.078 0.000 0.990 227 V HN 0.927 nan 8.190 nan 0.000 0.430 228 A N 3.504 126.296 122.820 -0.047 0.000 2.355 228 A HA 0.956 5.283 4.320 0.012 0.000 0.324 228 A C -0.001 177.479 177.584 -0.174 0.000 1.117 228 A CA -0.493 51.493 52.037 -0.084 0.000 0.785 228 A CB 1.736 20.708 19.000 -0.046 0.000 1.254 228 A HN 0.939 nan 8.150 nan 0.000 0.453 229 T N -0.157 114.273 114.554 -0.207 0.000 2.890 229 T HA 0.687 5.045 4.350 0.012 0.000 0.295 229 T C -0.542 173.928 174.700 -0.384 0.000 0.993 229 T CA -0.806 61.077 62.100 -0.363 0.000 0.979 229 T CB 0.771 69.317 68.868 -0.538 0.000 0.967 229 T HN 0.835 nan 8.240 nan 0.000 0.441 230 R N 2.229 122.433 120.500 -0.494 0.000 2.778 230 R HA 0.867 5.214 4.340 0.012 0.000 0.277 230 R C -1.329 174.566 176.300 -0.675 0.000 0.977 230 R CA -0.966 54.913 56.100 -0.370 0.000 0.950 230 R CB 1.369 31.585 30.300 -0.141 0.000 1.165 230 R HN 0.472 nan 8.270 nan 0.000 0.474 231 F N 0.163 120.095 119.950 -0.031 0.000 2.620 231 F HA 0.343 4.877 4.527 0.011 0.000 0.320 231 F C 0.324 175.985 175.800 -0.232 0.000 1.069 231 F CA -1.130 56.791 58.000 -0.133 0.000 0.953 231 F CB 1.329 40.144 39.000 -0.309 0.000 1.322 231 F HN 0.632 nan 8.300 nan 0.000 0.479 232 N N 0.070 118.757 118.700 -0.022 0.000 2.322 232 N HA 0.030 4.778 4.740 0.012 0.000 0.270 232 N C 0.499 175.868 175.510 -0.236 0.000 1.286 232 N CA -0.058 52.937 53.050 -0.091 0.000 0.948 232 N CB 0.081 38.543 38.487 -0.043 0.000 1.164 232 N HN 0.686 nan 8.380 nan 0.000 0.551 233 D N -1.649 118.662 120.400 -0.148 0.000 2.221 233 D HA -0.217 4.430 4.640 0.012 0.000 0.204 233 D C 0.131 176.344 176.300 -0.145 0.000 0.982 233 D CA 1.360 55.273 54.000 -0.144 0.000 0.857 233 D CB -0.502 40.271 40.800 -0.044 0.000 0.934 233 D HN 0.726 nan 8.370 nan 0.000 0.475 234 D N -1.365 118.986 120.400 -0.082 0.000 2.593 234 D HA 0.033 4.680 4.640 0.012 0.000 0.241 234 D C 0.051 176.483 176.300 0.220 0.000 1.257 234 D CA -1.115 52.948 54.000 0.105 0.000 0.828 234 D CB -1.254 39.614 40.800 0.114 0.000 1.049 234 D HN 0.135 nan 8.370 nan 0.000 0.490 235 F N 0.621 120.618 119.950 0.079 0.000 3.093 235 F HA -0.311 4.223 4.527 0.012 0.000 0.283 235 F C 1.726 177.594 175.800 0.114 0.000 0.848 235 F CA 0.971 59.020 58.000 0.081 0.000 1.059 235 F CB -2.376 36.559 39.000 -0.108 0.000 1.191 235 F HN 0.262 nan 8.300 nan 0.000 0.514 236 S N -1.370 114.439 115.700 0.181 0.000 2.558 236 S HA 0.273 4.750 4.470 0.012 0.000 0.217 236 S C 0.654 175.318 174.600 0.107 0.000 0.975 236 S CA -0.005 58.276 58.200 0.135 0.000 0.912 236 S CB 0.458 63.711 63.200 0.087 0.000 0.776 236 S HN 0.460 nan 8.310 nan 0.000 0.526 237 R N -0.135 120.439 120.500 0.124 0.000 2.698 237 R HA 0.782 5.129 4.340 0.012 0.000 0.275 237 R C -1.432 174.920 176.300 0.088 0.000 1.001 237 R CA -0.189 55.952 56.100 0.069 0.000 0.896 237 R CB 2.311 32.623 30.300 0.019 0.000 1.218 237 R HN 0.281 nan 8.270 nan 0.000 0.462 238 A N 1.522 124.333 122.820 -0.014 0.000 2.594 238 A HA 0.763 5.091 4.320 0.012 0.000 0.291 238 A C -1.516 175.992 177.584 -0.128 0.000 1.105 238 A CA -0.603 51.334 52.037 -0.167 0.000 0.694 238 A CB 2.036 20.896 19.000 -0.234 0.000 1.291 238 A HN 0.324 nan 8.150 nan 0.000 0.410 239 V N 1.123 120.927 119.914 -0.184 0.000 2.531 239 V HA 0.484 4.611 4.120 0.012 0.000 0.301 239 V C -0.649 175.371 176.094 -0.122 0.000 1.034 239 V CA -0.359 61.875 62.300 -0.111 0.000 0.865 239 V CB 1.489 33.249 31.823 -0.105 0.000 0.995 239 V HN 0.827 nan 8.190 nan 0.000 0.424 240 L N 4.885 126.074 121.223 -0.056 0.000 2.264 240 L HA 0.604 4.951 4.340 0.012 0.000 0.289 240 L C -0.127 176.696 176.870 -0.079 0.000 1.044 240 L CA 0.062 54.844 54.840 -0.096 0.000 0.807 240 L CB 0.890 42.924 42.059 -0.041 0.000 1.192 240 L HN 0.673 nan 8.230 nan 0.000 0.425 241 E N 5.073 125.222 120.200 -0.085 0.000 2.158 241 E HA 0.612 4.970 4.350 0.012 0.000 0.271 241 E C -1.043 175.543 176.600 -0.023 0.000 0.911 241 E CA -0.803 55.566 56.400 -0.051 0.000 0.767 241 E CB 2.016 31.688 29.700 -0.046 0.000 1.120 241 E HN 0.676 nan 8.360 nan 0.000 0.405 242 A N 3.422 126.235 122.820 -0.013 0.000 2.319 242 A HA 0.297 4.624 4.320 0.012 0.000 0.310 242 A C -0.533 177.052 177.584 0.002 0.000 1.152 242 A CA -0.672 51.382 52.037 0.028 0.000 0.783 242 A CB 1.006 20.030 19.000 0.041 0.000 1.184 242 A HN 0.680 nan 8.150 nan 0.000 0.474 243 E N 2.597 122.795 120.200 -0.002 0.000 2.146 243 E HA 0.524 4.882 4.350 0.012 0.000 0.282 243 E C -1.305 175.250 176.600 -0.074 0.000 0.989 243 E CA -0.352 56.002 56.400 -0.076 0.000 0.799 243 E CB 1.022 30.630 29.700 -0.154 0.000 1.088 243 E HN 0.397 nan 8.360 nan 0.000 0.397 244 V N 4.869 124.762 119.914 -0.035 0.000 2.540 244 V HA 0.276 4.403 4.120 0.012 0.000 0.302 244 V C -0.340 175.832 176.094 0.130 0.000 1.035 244 V CA -0.897 61.432 62.300 0.050 0.000 0.873 244 V CB 1.555 33.389 31.823 0.019 0.000 0.992 244 V HN 0.714 nan 8.190 nan 0.000 0.428 245 Q N 4.328 124.204 119.800 0.127 0.000 2.266 245 Q HA 0.834 5.181 4.340 0.012 0.000 0.261 245 Q C -0.767 175.307 176.000 0.124 0.000 0.985 245 Q CA -0.865 55.014 55.803 0.128 0.000 0.873 245 Q CB 2.486 31.234 28.738 0.016 0.000 1.306 245 Q HN 0.813 nan 8.270 nan 0.000 0.447 246 M N -0.834 118.749 119.600 -0.028 0.000 2.690 246 M HA 0.740 5.228 4.480 0.012 0.000 0.302 246 M C -1.320 174.888 176.300 -0.154 0.000 1.234 246 M CA -0.566 54.639 55.300 -0.157 0.000 0.853 246 M CB 1.624 33.922 32.600 -0.504 0.000 1.748 246 M HN 0.529 nan 8.290 nan 0.000 0.469 247 C N 0.747 119.972 119.300 -0.126 0.000 2.634 247 C HA 1.029 5.496 4.460 0.012 0.000 0.313 247 C C 0.644 175.566 174.990 -0.113 0.000 1.198 247 C CA 0.668 59.630 59.018 -0.094 0.000 1.605 247 C CB 0.992 28.703 27.740 -0.047 0.000 2.196 247 C HN 1.393 nan 8.230 nan 0.000 0.486 248 G N 1.710 110.452 108.800 -0.097 0.000 2.342 248 G HA2 -0.036 3.931 3.960 0.012 0.000 0.220 248 G HA3 -0.036 3.931 3.960 0.012 0.000 0.220 248 G C -0.831 174.009 174.900 -0.101 0.000 1.243 248 G CA -0.614 44.434 45.100 -0.086 0.000 1.083 248 G HN 0.872 nan 8.290 nan 0.000 0.500 249 E N 0.394 120.545 120.200 -0.082 0.000 2.292 249 E HA 0.295 4.652 4.350 0.012 0.000 0.265 249 E C 0.261 176.768 176.600 -0.154 0.000 1.093 249 E CA -0.215 56.136 56.400 -0.081 0.000 0.922 249 E CB 0.110 29.798 29.700 -0.019 0.000 1.001 249 E HN 0.402 nan 8.360 nan 0.000 0.444 250 L N 6.042 127.162 121.223 -0.172 0.000 2.278 250 L HA 0.300 4.647 4.340 0.012 0.000 0.287 250 L C -0.076 176.643 176.870 -0.251 0.000 1.072 250 L CA -0.136 54.561 54.840 -0.238 0.000 0.819 250 L CB 0.219 42.159 42.059 -0.197 0.000 1.176 250 L HN 0.490 nan 8.230 nan 0.000 0.435 251 R N 2.589 122.850 120.500 -0.398 0.000 2.771 251 R HA 0.212 4.559 4.340 0.012 0.000 0.274 251 R C -0.182 175.795 176.300 -0.538 0.000 0.987 251 R CA -0.851 54.919 56.100 -0.551 0.000 0.908 251 R CB 1.478 31.124 30.300 -1.090 0.000 1.213 251 R HN 0.496 nan 8.270 nan 0.000 0.468 252 D N 0.914 121.109 120.400 -0.342 0.000 2.263 252 D HA -0.133 4.514 4.640 0.012 0.000 0.208 252 D C 1.543 177.771 176.300 -0.119 0.000 0.971 252 D CA 1.530 55.435 54.000 -0.158 0.000 0.867 252 D CB 0.155 40.925 40.800 -0.049 0.000 0.929 252 D HN 0.542 nan 8.370 nan 0.000 0.492 253 Y N -0.191 120.124 120.300 0.024 0.000 2.561 253 Y HA 0.222 4.779 4.550 0.012 0.000 0.291 253 Y C 0.785 176.697 175.900 0.020 0.000 1.141 253 Y CA -0.349 57.764 58.100 0.022 0.000 1.303 253 Y CB -0.911 37.561 38.460 0.021 0.000 1.015 253 Y HN -0.197 nan 8.280 nan 0.000 0.547 254 L N 2.614 123.794 121.223 -0.072 0.000 2.417 254 L HA 0.359 4.706 4.340 0.012 0.000 0.268 254 L C 0.137 177.020 176.870 0.022 0.000 1.158 254 L CA -0.272 54.614 54.840 0.077 0.000 0.819 254 L CB 0.530 42.625 42.059 0.060 0.000 1.112 254 L HN 0.133 nan 8.230 nan 0.000 0.458 255 R N 1.757 122.157 120.500 -0.166 0.000 2.799 255 R HA 0.697 5.044 4.340 0.012 0.000 0.270 255 R C -1.486 174.468 176.300 -0.576 0.000 1.010 255 R CA -0.837 55.019 56.100 -0.407 0.000 0.916 255 R CB 2.057 32.053 30.300 -0.507 0.000 1.228 255 R HN 0.268 nan 8.270 nan 0.000 0.469 256 V N 0.750 120.371 119.914 -0.488 0.000 2.588 256 V HA 0.518 4.646 4.120 0.012 0.000 0.304 256 V C -0.442 175.592 176.094 -0.100 0.000 1.042 256 V CA -0.544 61.566 62.300 -0.317 0.000 0.877 256 V CB 2.330 33.913 31.823 -0.400 0.000 0.996 256 V HN 0.718 nan 8.190 nan 0.000 0.425 257 T N 4.053 118.655 114.554 0.081 0.000 2.809 257 T HA 0.551 4.908 4.350 0.012 0.000 0.284 257 T C -0.603 174.120 174.700 0.039 0.000 0.992 257 T CA -0.302 61.870 62.100 0.119 0.000 0.957 257 T CB 1.486 70.475 68.868 0.201 0.000 0.942 257 T HN 0.331 nan 8.240 nan 0.000 0.439 258 V N 4.226 124.141 119.914 0.003 0.000 2.398 258 V HA 0.699 4.826 4.120 0.012 0.000 0.286 258 V C 0.048 176.156 176.094 0.023 0.000 1.026 258 V CA -0.671 61.629 62.300 0.001 0.000 0.868 258 V CB 1.651 33.460 31.823 -0.024 0.000 0.982 258 V HN 1.035 nan 8.190 nan 0.000 0.443 259 S N 5.227 120.974 115.700 0.079 0.000 2.526 259 S HA 0.838 5.315 4.470 0.012 0.000 0.293 259 S C -1.128 173.539 174.600 0.112 0.000 1.092 259 S CA -0.777 57.458 58.200 0.059 0.000 0.980 259 S CB 2.085 65.347 63.200 0.103 0.000 1.048 259 S HN 0.547 nan 8.310 nan 0.000 0.483 260 L N 2.493 123.675 121.223 -0.069 0.000 2.325 260 L HA 0.772 5.120 4.340 0.012 0.000 0.281 260 L C -1.952 174.875 176.870 -0.072 0.000 1.004 260 L CA -0.232 54.649 54.840 0.069 0.000 0.823 260 L CB 0.740 42.835 42.059 0.060 0.000 1.236 260 L HN 0.869 nan 8.230 nan 0.000 0.415 261 W N 3.923 125.329 121.300 0.177 0.000 2.666 261 W HA 0.549 5.217 4.660 0.012 0.000 0.334 261 W C -0.391 176.246 176.519 0.196 0.000 1.051 261 W CA -0.477 56.955 57.345 0.145 0.000 1.224 261 W CB 1.305 30.802 29.460 0.062 0.000 1.405 261 W HN 0.365 nan 8.180 nan 0.000 0.513 262 Q N 2.803 122.779 119.800 0.295 0.000 2.425 262 Q HA 0.458 4.806 4.340 0.012 0.000 0.254 262 Q C 0.689 176.736 176.000 0.078 0.000 1.032 262 Q CA 0.525 56.362 55.803 0.057 0.000 0.798 262 Q CB 0.832 29.521 28.738 -0.082 0.000 1.210 262 Q HN 0.829 nan 8.270 nan 0.000 0.491 263 G N 3.740 112.582 108.800 0.070 0.000 2.550 263 G HA2 -0.337 3.630 3.960 0.012 0.000 0.277 263 G HA3 -0.337 3.630 3.960 0.012 0.000 0.277 263 G C 0.253 175.248 174.900 0.158 0.000 1.190 263 G CA 0.302 45.443 45.100 0.068 0.000 0.971 263 G HN 0.721 nan 8.290 nan 0.000 0.559 264 E N 0.893 121.178 120.200 0.141 0.000 2.476 264 E HA 0.180 4.537 4.350 0.012 0.000 0.191 264 E C 0.259 177.078 176.600 0.365 0.000 1.064 264 E CA 0.655 57.181 56.400 0.209 0.000 0.866 264 E CB 0.131 29.892 29.700 0.102 0.000 0.952 264 E HN 0.347 nan 8.360 nan 0.000 0.492 265 T N 1.321 116.049 114.554 0.289 0.000 2.771 265 T HA 0.129 4.486 4.350 0.012 0.000 0.281 265 T C -0.253 174.440 174.700 -0.010 0.000 0.982 265 T CA -0.545 61.639 62.100 0.142 0.000 0.978 265 T CB 1.773 70.673 68.868 0.054 0.000 0.930 265 T HN 0.037 nan 8.240 nan 0.000 0.447 266 Q N 3.230 122.744 119.800 -0.478 0.000 2.337 266 Q HA 0.286 4.633 4.340 0.012 0.000 0.255 266 Q C 0.980 176.699 176.000 -0.470 0.000 0.997 266 Q CA -0.566 54.606 55.803 -1.052 0.000 0.925 266 Q CB 0.656 28.358 28.738 -1.726 0.000 1.212 266 Q HN 0.694 nan 8.270 nan 0.000 0.436 267 V N 1.265 121.012 119.914 -0.279 0.000 2.951 267 V HA 0.464 4.591 4.120 0.012 0.000 0.255 267 V C 0.476 176.478 176.094 -0.153 0.000 1.088 267 V CA 0.867 63.087 62.300 -0.132 0.000 1.109 267 V CB -0.408 31.422 31.823 0.012 0.000 0.724 267 V HN 0.670 nan 8.190 nan 0.000 0.471 268 A N -1.311 121.387 122.820 -0.204 0.000 2.601 268 A HA 0.806 5.133 4.320 0.012 0.000 0.291 268 A C -0.655 176.829 177.584 -0.167 0.000 1.075 268 A CA 0.196 52.142 52.037 -0.152 0.000 0.671 268 A CB 1.494 20.436 19.000 -0.096 0.000 1.277 268 A HN 0.491 nan 8.150 nan 0.000 0.417 269 S N -1.504 114.127 115.700 -0.114 0.000 2.565 269 S HA 0.773 5.250 4.470 0.012 0.000 0.274 269 S C -0.652 173.914 174.600 -0.057 0.000 1.144 269 S CA 0.184 58.331 58.200 -0.087 0.000 0.849 269 S CB 1.720 64.858 63.200 -0.105 0.000 1.103 269 S HN 2.354 nan 8.310 nan 0.000 0.455 270 G N 1.305 110.081 108.800 -0.039 0.000 2.733 270 G HA2 0.629 4.597 3.960 0.012 0.000 0.297 270 G HA3 0.629 4.597 3.960 0.012 0.000 0.297 270 G C -1.548 173.339 174.900 -0.021 0.000 1.422 270 G CA -0.362 44.717 45.100 -0.034 0.000 0.942 270 G HN 0.667 nan 8.290 nan 0.000 0.510 271 T N 0.014 114.557 114.554 -0.018 0.000 2.886 271 T HA 0.821 5.178 4.350 0.012 0.000 0.292 271 T C -0.261 174.411 174.700 -0.047 0.000 1.012 271 T CA -0.026 62.072 62.100 -0.003 0.000 0.982 271 T CB 1.707 70.608 68.868 0.055 0.000 1.018 271 T HN 1.432 nan 8.240 nan 0.000 0.451 272 A N 3.965 126.723 122.820 -0.104 0.000 2.587 272 A HA 0.967 5.294 4.320 0.012 0.000 0.293 272 A C -3.032 174.440 177.584 -0.186 0.000 1.087 272 A CA -1.792 50.170 52.037 -0.124 0.000 0.692 272 A CB 1.395 20.311 19.000 -0.140 0.000 1.291 272 A HN 0.530 nan 8.150 nan 0.000 0.407 273 P HA 0.528 nan 4.420 nan 0.000 0.278 273 P C -0.667 176.536 177.300 -0.162 0.000 1.266 273 P CA -0.313 62.715 63.100 -0.120 0.000 0.807 273 P CB 0.355 32.035 31.700 -0.034 0.000 1.094 274 F N -0.132 119.772 119.950 -0.076 0.000 2.406 274 F HA 0.500 5.034 4.527 0.012 0.000 0.327 274 F C 1.385 177.162 175.800 -0.039 0.000 1.153 274 F CA 1.394 59.358 58.000 -0.059 0.000 1.218 274 F CB 0.401 39.359 39.000 -0.071 0.000 1.215 274 F HN 0.566 nan 8.300 nan 0.000 0.570 275 G N 1.492 110.415 108.800 0.206 0.000 2.951 275 G HA2 0.353 4.320 3.960 0.012 0.000 0.508 275 G HA3 0.353 4.320 3.960 0.012 0.000 0.508 275 G C -0.478 174.474 174.900 0.087 0.000 1.203 275 G CA -0.728 44.446 45.100 0.124 0.000 1.209 275 G HN 1.038 nan 8.290 nan 0.000 0.552 276 G N 0.994 109.866 108.800 0.119 0.000 2.563 276 G HA2 0.699 4.667 3.960 0.012 0.000 0.283 276 G HA3 0.699 4.667 3.960 0.012 0.000 0.283 276 G C 0.499 175.438 174.900 0.065 0.000 1.309 276 G CA 0.007 45.163 45.100 0.092 0.000 1.022 276 G HN 0.979 nan 8.290 nan 0.000 0.501 277 E N -0.546 119.687 120.200 0.054 0.000 2.425 277 E HA 0.049 4.406 4.350 0.012 0.000 0.258 277 E C 0.172 176.793 176.600 0.034 0.000 1.151 277 E CA -0.409 56.011 56.400 0.034 0.000 0.958 277 E CB 0.650 30.365 29.700 0.025 0.000 0.968 277 E HN 0.309 nan 8.360 nan 0.000 0.451 278 I N 1.801 122.380 120.570 0.015 0.000 2.618 278 I HA -0.071 4.106 4.170 0.012 0.000 0.284 278 I C 1.526 177.649 176.117 0.010 0.000 1.146 278 I CA 0.259 61.560 61.300 0.001 0.000 1.425 278 I CB 0.325 38.322 38.000 -0.005 0.000 1.383 278 I HN 0.559 nan 8.210 nan 0.000 0.562 279 I N 2.845 123.415 120.570 0.001 0.000 4.032 279 I HA 0.220 4.397 4.170 0.012 0.000 0.313 279 I C -0.129 175.987 176.117 -0.001 0.000 1.272 279 I CA 0.311 61.622 61.300 0.019 0.000 1.307 279 I CB 0.521 38.563 38.000 0.070 0.000 1.155 279 I HN 0.636 nan 8.210 nan 0.000 0.431 280 D N -0.109 120.275 120.400 -0.025 0.000 2.946 280 D HA 0.160 4.808 4.640 0.012 0.000 0.337 280 D C 0.285 176.566 176.300 -0.030 0.000 1.332 280 D CA -0.418 53.568 54.000 -0.024 0.000 0.935 280 D CB 0.651 41.437 40.800 -0.022 0.000 1.440 280 D HN -0.159 nan 8.370 nan 0.000 0.540 281 E N -1.073 119.111 120.200 -0.026 0.000 2.267 281 E HA -0.038 4.320 4.350 0.012 0.000 0.197 281 E C 1.367 177.946 176.600 -0.034 0.000 0.998 281 E CA 0.968 57.354 56.400 -0.025 0.000 0.830 281 E CB 0.002 29.690 29.700 -0.019 0.000 0.751 281 E HN 0.211 nan 8.360 nan 0.000 0.491 282 R N -0.554 119.917 120.500 -0.049 0.000 2.317 282 R HA 0.274 4.621 4.340 0.012 0.000 0.208 282 R C 0.896 177.151 176.300 -0.075 0.000 0.914 282 R CA 0.731 56.795 56.100 -0.060 0.000 1.060 282 R CB 0.711 30.969 30.300 -0.069 0.000 1.015 282 R HN 0.226 nan 8.270 nan 0.000 0.498 283 G N -0.607 108.150 108.800 -0.072 0.000 2.456 283 G HA2 -0.080 3.888 3.960 0.012 0.000 0.204 283 G HA3 -0.080 3.888 3.960 0.012 0.000 0.204 283 G C -0.243 174.598 174.900 -0.097 0.000 1.193 283 G CA -0.567 44.489 45.100 -0.073 0.000 1.220 283 G HN 0.515 nan 8.290 nan 0.000 0.565 284 G N -1.965 106.762 108.800 -0.121 0.000 2.827 284 G HA2 0.623 4.590 3.960 0.012 0.000 0.296 284 G HA3 0.623 4.590 3.960 0.012 0.000 0.296 284 G C -1.660 173.103 174.900 -0.229 0.000 1.362 284 G CA -0.624 44.395 45.100 -0.135 0.000 0.809 284 G HN 0.806 nan 8.290 nan 0.000 0.522 285 Y N 1.245 121.552 120.300 0.011 0.000 2.585 285 Y HA 0.406 4.963 4.550 0.012 0.000 0.354 285 Y C 1.462 177.379 175.900 0.027 0.000 1.024 285 Y CA 0.323 58.433 58.100 0.016 0.000 1.321 285 Y CB 1.512 39.986 38.460 0.024 0.000 1.151 285 Y HN 0.557 nan 8.280 nan 0.000 0.525 286 A N 1.702 124.574 122.820 0.087 0.000 2.167 286 A HA -0.087 4.241 4.320 0.012 0.000 0.214 286 A C 1.174 178.804 177.584 0.077 0.000 1.151 286 A CA 0.953 53.032 52.037 0.069 0.000 0.735 286 A CB -0.223 18.779 19.000 0.004 0.000 0.802 286 A HN 0.762 nan 8.150 nan 0.000 0.467 287 D N -0.857 119.593 120.400 0.083 0.000 2.463 287 D HA 0.168 4.816 4.640 0.012 0.000 0.224 287 D C 0.462 176.838 176.300 0.127 0.000 1.174 287 D CA -0.069 53.894 54.000 -0.062 0.000 0.829 287 D CB 0.039 40.795 40.800 -0.073 0.000 0.993 287 D HN 0.341 nan 8.370 nan 0.000 0.497 288 R N -0.753 119.953 120.500 0.345 0.000 2.836 288 R HA 0.773 5.120 4.340 0.012 0.000 0.269 288 R C -1.597 174.873 176.300 0.284 0.000 1.010 288 R CA -1.191 55.108 56.100 0.332 0.000 0.930 288 R CB 3.055 33.427 30.300 0.119 0.000 1.218 288 R HN -0.019 nan 8.270 nan 0.000 0.473 289 V N 0.201 120.152 119.914 0.060 0.000 3.000 289 V HA 0.465 4.592 4.120 0.012 0.000 0.300 289 V C -1.642 174.390 176.094 -0.104 0.000 1.251 289 V CA -0.272 61.965 62.300 -0.104 0.000 0.972 289 V CB 2.727 34.334 31.823 -0.361 0.000 1.065 289 V HN 0.806 nan 8.190 nan 0.000 0.431 290 T N 7.361 121.865 114.554 -0.083 0.000 2.809 290 T HA 0.598 4.955 4.350 0.012 0.000 0.284 290 T C -1.040 173.616 174.700 -0.073 0.000 0.992 290 T CA -0.407 61.652 62.100 -0.068 0.000 0.957 290 T CB 1.126 69.968 68.868 -0.042 0.000 0.942 290 T HN 0.447 nan 8.240 nan 0.000 0.439 291 L N 3.637 124.817 121.223 -0.072 0.000 2.309 291 L HA 0.561 4.909 4.340 0.012 0.000 0.282 291 L C 0.436 177.276 176.870 -0.049 0.000 1.036 291 L CA -0.326 54.474 54.840 -0.065 0.000 0.806 291 L CB 1.264 43.282 42.059 -0.068 0.000 1.220 291 L HN 0.550 nan 8.230 nan 0.000 0.429 292 R N 4.365 124.837 120.500 -0.047 0.000 2.409 292 R HA 0.667 5.015 4.340 0.012 0.000 0.313 292 R C -1.099 175.174 176.300 -0.044 0.000 0.953 292 R CA -0.555 55.518 56.100 -0.045 0.000 0.849 292 R CB 1.806 32.080 30.300 -0.044 0.000 1.171 292 R HN 0.472 nan 8.270 nan 0.000 0.458 293 L N 2.703 123.901 121.223 -0.041 0.000 2.341 293 L HA 0.462 4.809 4.340 0.012 0.000 0.278 293 L C -0.185 176.661 176.870 -0.040 0.000 1.005 293 L CA -1.049 53.767 54.840 -0.039 0.000 0.818 293 L CB 1.774 43.815 42.059 -0.031 0.000 1.259 293 L HN 0.490 nan 8.230 nan 0.000 0.418 294 N N 2.096 120.768 118.700 -0.047 0.000 2.479 294 N HA 0.430 5.177 4.740 0.012 0.000 0.285 294 N C -0.935 174.536 175.510 -0.065 0.000 1.075 294 N CA -0.224 52.795 53.050 -0.052 0.000 0.967 294 N CB 2.689 41.147 38.487 -0.049 0.000 1.137 294 N HN 0.199 nan 8.380 nan 0.000 0.472 295 V N 2.160 122.023 119.914 -0.084 0.000 2.525 295 V HA 0.184 4.312 4.120 0.012 0.000 0.299 295 V C -0.139 175.881 176.094 -0.124 0.000 1.034 295 V CA -0.901 61.312 62.300 -0.145 0.000 0.863 295 V CB 2.000 33.649 31.823 -0.289 0.000 0.999 295 V HN 0.470 nan 8.190 nan 0.000 0.423 296 E N 2.743 122.892 120.200 -0.086 0.000 2.313 296 E HA 0.249 4.606 4.350 0.012 0.000 0.276 296 E C 0.284 176.862 176.600 -0.036 0.000 1.031 296 E CA -0.274 56.099 56.400 -0.046 0.000 0.857 296 E CB 0.414 30.097 29.700 -0.029 0.000 1.040 296 E HN 0.742 nan 8.360 nan 0.000 0.408 297 N N 1.409 120.112 118.700 0.003 0.000 2.686 297 N HA -0.159 4.589 4.740 0.012 0.000 0.261 297 N C -2.460 173.051 175.510 0.002 0.000 1.001 297 N CA 0.089 53.154 53.050 0.025 0.000 0.764 297 N CB -0.835 37.666 38.487 0.022 0.000 0.898 297 N HN 0.303 nan 8.380 nan 0.000 0.544 298 P HA 0.049 nan 4.420 nan 0.000 0.274 298 P C -0.496 176.828 177.300 0.040 0.000 1.231 298 P CA 0.057 63.066 63.100 -0.151 0.000 0.790 298 P CB 0.799 32.171 31.700 -0.547 0.000 0.951 299 K N 2.215 122.718 120.400 0.172 0.000 2.338 299 K HA 0.252 4.579 4.320 0.012 0.000 0.290 299 K C 0.181 176.933 176.600 0.254 0.000 1.069 299 K CA -0.246 56.142 56.287 0.169 0.000 0.941 299 K CB -0.023 32.537 32.500 0.100 0.000 1.023 299 K HN 0.423 nan 8.250 nan 0.000 0.477 300 L N 2.519 123.818 121.223 0.127 0.000 2.395 300 L HA 0.289 4.636 4.340 0.012 0.000 0.269 300 L C 0.019 176.967 176.870 0.129 0.000 1.133 300 L CA -0.811 54.110 54.840 0.135 0.000 0.812 300 L CB 0.437 42.405 42.059 -0.152 0.000 1.125 300 L HN 0.601 nan 8.230 nan 0.000 0.452 301 W N 3.067 124.397 121.300 0.050 0.000 2.351 301 W HA 0.467 5.134 4.660 0.011 0.000 0.311 301 W C 0.060 176.541 176.519 -0.064 0.000 1.168 301 W CA 0.020 57.382 57.345 0.028 0.000 1.200 301 W CB 1.302 30.835 29.460 0.123 0.000 1.221 301 W HN 0.618 nan 8.180 nan 0.000 0.519 302 S N 3.232 118.448 115.700 -0.808 0.000 2.705 302 S HA 0.707 5.185 4.470 0.012 0.000 0.280 302 S C 0.310 174.131 174.600 -1.299 0.000 1.174 302 S CA -0.337 57.410 58.200 -0.754 0.000 0.823 302 S CB 1.221 64.285 63.200 -0.227 0.000 1.162 302 S HN 0.900 nan 8.310 nan 0.000 0.487 303 A N 0.571 122.790 122.820 -1.002 0.000 1.930 303 A HA 0.042 4.369 4.320 0.012 0.000 0.217 303 A C 1.853 179.108 177.584 -0.548 0.000 1.175 303 A CA 1.516 52.973 52.037 -0.968 0.000 0.627 303 A CB -1.144 17.131 19.000 -1.208 0.000 0.815 303 A HN 0.892 nan 8.150 nan 0.000 0.443 304 E N -0.899 119.115 120.200 -0.309 0.000 2.077 304 E HA -0.076 4.281 4.350 0.012 0.000 0.193 304 E C -0.352 176.101 176.600 -0.244 0.000 0.989 304 E CA 0.934 57.208 56.400 -0.211 0.000 0.800 304 E CB -0.080 29.628 29.700 0.014 0.000 0.746 304 E HN 0.636 nan 8.360 nan 0.000 0.452 305 I N 0.976 121.381 120.570 -0.276 0.000 2.595 305 I HA 0.131 4.309 4.170 0.012 0.000 0.276 305 I C -2.468 173.421 176.117 -0.379 0.000 1.109 305 I CA -1.758 59.396 61.300 -0.243 0.000 1.084 305 I CB 2.176 40.088 38.000 -0.147 0.000 1.206 305 I HN -0.207 nan 8.210 nan 0.000 0.486 306 P HA 0.034 nan 4.420 nan 0.000 0.237 306 P C -0.492 176.746 177.300 -0.102 0.000 1.701 306 P CA -0.076 62.705 63.100 -0.531 0.000 0.955 306 P CB -0.320 31.235 31.700 -0.243 0.000 1.937 307 N N 1.374 120.048 118.700 -0.042 0.000 2.454 307 N HA 0.144 4.891 4.740 0.012 0.000 0.260 307 N C 0.117 175.813 175.510 0.309 0.000 1.218 307 N CA 0.470 53.574 53.050 0.089 0.000 0.904 307 N CB 0.606 39.153 38.487 0.100 0.000 1.065 307 N HN 0.270 nan 8.380 nan 0.000 0.462 308 L N 2.188 123.532 121.223 0.201 0.000 2.371 308 L HA 0.486 4.833 4.340 0.012 0.000 0.262 308 L C -0.849 176.071 176.870 0.083 0.000 1.006 308 L CA -0.857 54.157 54.840 0.291 0.000 0.818 308 L CB 1.378 43.585 42.059 0.247 0.000 1.354 308 L HN 0.393 nan 8.230 nan 0.000 0.415 309 Y N 0.027 120.483 120.300 0.261 0.000 2.650 309 Y HA 0.666 5.223 4.550 0.012 0.000 0.331 309 Y C -0.240 175.788 175.900 0.213 0.000 1.082 309 Y CA -0.816 57.436 58.100 0.252 0.000 1.171 309 Y CB 1.667 40.337 38.460 0.350 0.000 1.326 309 Y HN 0.362 nan 8.280 nan 0.000 0.513 310 R N 0.987 121.736 120.500 0.415 0.000 2.439 310 R HA 0.791 5.138 4.340 0.012 0.000 0.310 310 R C -1.656 174.848 176.300 0.340 0.000 0.955 310 R CA -0.501 55.775 56.100 0.293 0.000 0.853 310 R CB 1.081 31.482 30.300 0.169 0.000 1.171 310 R HN 0.737 nan 8.270 nan 0.000 0.449 311 A N 3.990 126.952 122.820 0.237 0.000 2.288 311 A HA 0.610 4.937 4.320 0.012 0.000 0.320 311 A C -1.027 176.626 177.584 0.115 0.000 1.217 311 A CA -0.644 51.513 52.037 0.199 0.000 0.840 311 A CB 1.210 20.298 19.000 0.146 0.000 1.179 311 A HN 0.484 nan 8.150 nan 0.000 0.504 312 V N 3.156 123.144 119.914 0.123 0.000 2.459 312 V HA 0.416 4.543 4.120 0.012 0.000 0.295 312 V C -0.302 175.772 176.094 -0.033 0.000 1.029 312 V CA -0.514 61.794 62.300 0.014 0.000 0.874 312 V CB 1.637 33.466 31.823 0.011 0.000 0.985 312 V HN 0.601 nan 8.190 nan 0.000 0.438 313 V N 4.473 124.300 119.914 -0.145 0.000 2.293 313 V HA 0.385 4.512 4.120 0.012 0.000 0.275 313 V C -0.001 176.034 176.094 -0.099 0.000 1.021 313 V CA -0.581 61.604 62.300 -0.191 0.000 0.815 313 V CB 0.999 32.541 31.823 -0.469 0.000 1.025 313 V HN 0.910 nan 8.190 nan 0.000 0.448 314 E N 3.784 123.984 120.200 -0.000 0.000 2.174 314 E HA 0.447 4.804 4.350 0.012 0.000 0.282 314 E C -0.944 175.746 176.600 0.150 0.000 0.992 314 E CA -0.829 55.626 56.400 0.092 0.000 0.803 314 E CB 2.309 32.098 29.700 0.148 0.000 1.090 314 E HN 0.432 nan 8.360 nan 0.000 0.396 315 L N 5.118 126.407 121.223 0.111 0.000 2.265 315 L HA 0.336 4.683 4.340 0.012 0.000 0.289 315 L C -0.970 175.988 176.870 0.146 0.000 1.033 315 L CA 0.018 54.905 54.840 0.079 0.000 0.814 315 L CB -0.049 42.050 42.059 0.067 0.000 1.203 315 L HN 0.632 nan 8.230 nan 0.000 0.423 316 H N 0.112 119.230 119.070 0.079 0.000 2.960 316 H HA 0.720 5.283 4.556 0.012 0.000 0.323 316 H C -0.656 174.747 175.328 0.124 0.000 1.326 316 H CA -0.574 55.521 56.048 0.078 0.000 1.124 316 H CB 0.474 30.261 29.762 0.042 0.000 1.853 316 H HN 0.451 nan 8.280 nan 0.000 0.536 317 T N -1.696 113.016 114.554 0.263 0.000 2.913 317 T HA 0.441 4.798 4.350 0.012 0.000 0.297 317 T C 1.442 176.318 174.700 0.293 0.000 1.029 317 T CA -0.283 61.956 62.100 0.232 0.000 1.104 317 T CB 1.353 70.272 68.868 0.085 0.000 0.964 317 T HN 0.917 nan 8.240 nan 0.000 0.532 318 A N 1.582 124.532 122.820 0.217 0.000 1.978 318 A HA -0.071 4.256 4.320 0.012 0.000 0.220 318 A C 1.786 179.472 177.584 0.169 0.000 1.170 318 A CA 1.361 53.514 52.037 0.194 0.000 0.636 318 A CB -0.755 18.326 19.000 0.135 0.000 0.810 318 A HN 0.865 nan 8.150 nan 0.000 0.448 319 D N -1.261 119.208 120.400 0.116 0.000 2.352 319 D HA 0.267 4.915 4.640 0.012 0.000 0.232 319 D C 1.308 177.639 176.300 0.052 0.000 1.055 319 D CA 1.156 55.194 54.000 0.062 0.000 0.891 319 D CB 0.022 40.836 40.800 0.024 0.000 0.897 319 D HN 0.634 nan 8.370 nan 0.000 0.529 320 G N -0.216 108.638 108.800 0.089 0.000 2.192 320 G HA2 -0.216 3.751 3.960 0.012 0.000 0.193 320 G HA3 -0.216 3.751 3.960 0.012 0.000 0.193 320 G C 0.465 175.375 174.900 0.016 0.000 0.999 320 G CA -0.171 44.939 45.100 0.017 0.000 0.659 320 G HN 0.266 nan 8.290 nan 0.000 0.503 321 T N 2.211 116.804 114.554 0.064 0.000 2.737 321 T HA 0.488 4.845 4.350 0.012 0.000 0.296 321 T C 0.236 174.999 174.700 0.106 0.000 0.922 321 T CA -0.148 61.983 62.100 0.052 0.000 1.079 321 T CB 1.705 70.587 68.868 0.023 0.000 0.892 321 T HN 0.634 nan 8.240 nan 0.000 0.514 322 L N 5.403 126.665 121.223 0.065 0.000 2.418 322 L HA 0.315 4.662 4.340 0.012 0.000 0.274 322 L C 0.853 177.775 176.870 0.086 0.000 1.135 322 L CA 0.306 55.203 54.840 0.094 0.000 0.870 322 L CB -0.137 41.943 42.059 0.036 0.000 1.154 322 L HN 0.661 nan 8.230 nan 0.000 0.462 323 I N 3.249 123.882 120.570 0.106 0.000 2.206 323 I HA 0.002 4.180 4.170 0.012 0.000 0.239 323 I C 0.549 176.691 176.117 0.041 0.000 1.078 323 I CA 1.021 62.361 61.300 0.067 0.000 1.367 323 I CB 0.067 38.110 38.000 0.071 0.000 1.078 323 I HN 0.851 nan 8.210 nan 0.000 0.413 324 E N -0.241 119.984 120.200 0.041 0.000 2.416 324 E HA 0.714 5.071 4.350 0.012 0.000 0.280 324 E C -1.479 175.140 176.600 0.032 0.000 1.055 324 E CA -1.124 55.291 56.400 0.026 0.000 0.825 324 E CB 1.694 31.379 29.700 -0.026 0.000 1.312 324 E HN -0.012 nan 8.360 nan 0.000 0.452 325 A N 1.407 124.267 122.820 0.066 0.000 2.414 325 A HA 0.671 4.998 4.320 0.012 0.000 0.306 325 A C -0.983 176.697 177.584 0.160 0.000 1.054 325 A CA -0.762 51.318 52.037 0.072 0.000 0.724 325 A CB 1.537 20.576 19.000 0.065 0.000 1.267 325 A HN 0.525 nan 8.150 nan 0.000 0.418 326 E N -0.108 120.113 120.200 0.036 0.000 2.339 326 E HA 0.847 5.205 4.350 0.012 0.000 0.262 326 E C -0.403 176.223 176.600 0.044 0.000 0.934 326 E CA -0.579 55.877 56.400 0.093 0.000 0.802 326 E CB 2.359 31.997 29.700 -0.102 0.000 1.275 326 E HN 1.199 nan 8.360 nan 0.000 0.427 327 A N -0.149 122.825 122.820 0.257 0.000 2.566 327 A HA 0.693 5.020 4.320 0.012 0.000 0.290 327 A C -1.213 176.596 177.584 0.376 0.000 1.071 327 A CA -0.368 51.770 52.037 0.169 0.000 0.658 327 A CB 0.741 19.778 19.000 0.061 0.000 1.285 327 A HN 0.906 nan 8.150 nan 0.000 0.427 328 C N -0.622 118.847 119.300 0.282 0.000 3.311 328 C HA 0.813 5.280 4.460 0.012 0.000 0.325 328 C C -1.490 173.609 174.990 0.182 0.000 1.352 328 C CA -0.887 58.290 59.018 0.265 0.000 1.308 328 C CB 1.119 29.022 27.740 0.271 0.000 1.619 328 C HN 0.823 nan 8.230 nan 0.000 0.469 329 D N 1.161 121.648 120.400 0.145 0.000 2.256 329 D HA 0.559 5.206 4.640 0.012 0.000 0.250 329 D C -0.318 176.053 176.300 0.118 0.000 1.093 329 D CA 0.170 54.258 54.000 0.147 0.000 0.882 329 D CB 1.919 42.806 40.800 0.144 0.000 1.185 329 D HN 0.554 nan 8.370 nan 0.000 0.437 330 V N 1.125 121.142 119.914 0.172 0.000 2.555 330 V HA 0.686 4.814 4.120 0.012 0.000 0.302 330 V C 0.621 176.805 176.094 0.150 0.000 1.038 330 V CA -0.821 61.527 62.300 0.081 0.000 0.887 330 V CB 2.032 33.870 31.823 0.025 0.000 0.991 330 V HN 0.609 nan 8.190 nan 0.000 0.434 331 G N 2.846 111.633 108.800 -0.023 0.000 2.502 331 G HA2 0.599 4.567 3.960 0.012 0.000 0.311 331 G HA3 0.599 4.567 3.960 0.012 0.000 0.311 331 G C -1.009 173.992 174.900 0.168 0.000 1.270 331 G CA -0.403 44.788 45.100 0.151 0.000 0.948 331 G HN 0.425 nan 8.290 nan 0.000 0.487 332 F N 4.166 124.321 119.950 0.341 0.000 2.462 332 F HA 0.414 4.947 4.527 0.012 0.000 0.360 332 F C 1.152 177.207 175.800 0.423 0.000 1.134 332 F CA -0.014 58.238 58.000 0.420 0.000 1.148 332 F CB 0.589 39.866 39.000 0.462 0.000 1.147 332 F HN 0.452 nan 8.300 nan 0.000 0.550 333 R N 3.078 123.870 120.500 0.486 0.000 2.663 333 R HA 0.433 4.780 4.340 0.012 0.000 0.267 333 R C -1.834 174.660 176.300 0.324 0.000 1.038 333 R CA -0.814 55.444 56.100 0.264 0.000 0.886 333 R CB 1.572 32.057 30.300 0.309 0.000 1.249 333 R HN 0.577 nan 8.270 nan 0.000 0.463 334 E N 1.997 122.311 120.200 0.191 0.000 2.210 334 E HA 0.474 4.831 4.350 0.012 0.000 0.266 334 E C -1.237 175.455 176.600 0.153 0.000 0.883 334 E CA -0.920 55.646 56.400 0.277 0.000 0.761 334 E CB 2.178 32.129 29.700 0.419 0.000 1.156 334 E HN 0.404 nan 8.360 nan 0.000 0.412 335 V N 5.577 125.571 119.914 0.132 0.000 2.409 335 V HA 0.570 4.697 4.120 0.012 0.000 0.291 335 V C -0.071 176.071 176.094 0.080 0.000 1.020 335 V CA -0.681 61.665 62.300 0.078 0.000 0.848 335 V CB 1.104 32.948 31.823 0.035 0.000 0.990 335 V HN 0.693 nan 8.190 nan 0.000 0.430 336 R N 4.737 125.280 120.500 0.072 0.000 2.680 336 R HA 0.666 5.014 4.340 0.012 0.000 0.269 336 R C -2.242 174.089 176.300 0.052 0.000 1.026 336 R CA -0.851 55.291 56.100 0.071 0.000 0.889 336 R CB 2.094 32.450 30.300 0.093 0.000 1.241 336 R HN 0.579 nan 8.270 nan 0.000 0.463 337 I N 1.826 122.426 120.570 0.049 0.000 2.354 337 I HA 0.341 4.518 4.170 0.012 0.000 0.292 337 I C -0.603 175.540 176.117 0.042 0.000 0.989 337 I CA -0.392 60.931 61.300 0.038 0.000 1.188 337 I CB 1.844 39.867 38.000 0.038 0.000 1.342 337 I HN 0.717 nan 8.210 nan 0.000 0.457 338 E N 5.877 126.099 120.200 0.036 0.000 2.304 338 E HA 0.266 4.623 4.350 0.012 0.000 0.277 338 E C -0.178 176.439 176.600 0.028 0.000 0.898 338 E CA -0.520 55.903 56.400 0.038 0.000 0.764 338 E CB 1.058 30.787 29.700 0.047 0.000 1.216 338 E HN 0.505 nan 8.360 nan 0.000 0.419 339 N N 2.956 121.672 118.700 0.027 0.000 2.714 339 N HA -0.232 4.516 4.740 0.012 0.000 0.250 339 N C 0.490 176.010 175.510 0.015 0.000 1.117 339 N CA 2.291 55.354 53.050 0.021 0.000 0.719 339 N CB -1.163 37.336 38.487 0.019 0.000 1.081 339 N HN 1.052 nan 8.380 nan 0.000 0.557 340 G N -2.373 106.436 108.800 0.015 0.000 2.175 340 G HA2 -0.264 3.703 3.960 0.012 0.000 0.244 340 G HA3 -0.264 3.703 3.960 0.012 0.000 0.244 340 G C -0.119 174.779 174.900 -0.003 0.000 0.982 340 G CA 0.375 45.480 45.100 0.008 0.000 0.641 340 G HN 0.425 nan 8.290 nan 0.000 0.527 341 L N 0.265 121.487 121.223 -0.002 0.000 2.346 341 L HA 0.749 5.096 4.340 0.012 0.000 0.274 341 L C 0.049 176.911 176.870 -0.013 0.000 1.007 341 L CA -1.331 53.500 54.840 -0.015 0.000 0.818 341 L CB 1.853 43.904 42.059 -0.013 0.000 1.284 341 L HN 0.125 nan 8.230 nan 0.000 0.424 342 L N 4.158 125.360 121.223 -0.034 0.000 2.265 342 L HA 0.493 4.841 4.340 0.012 0.000 0.288 342 L C -0.941 175.908 176.870 -0.035 0.000 1.058 342 L CA 0.272 55.094 54.840 -0.030 0.000 0.809 342 L CB 0.631 42.658 42.059 -0.054 0.000 1.179 342 L HN 0.389 nan 8.230 nan 0.000 0.429 343 L N 5.961 127.181 121.223 -0.006 0.000 2.334 343 L HA 0.530 4.877 4.340 0.012 0.000 0.276 343 L C -0.804 176.076 176.870 0.018 0.000 1.014 343 L CA -0.784 54.062 54.840 0.011 0.000 0.815 343 L CB 1.910 44.000 42.059 0.052 0.000 1.268 343 L HN 0.574 nan 8.230 nan 0.000 0.428 344 L N 4.018 125.261 121.223 0.033 0.000 2.325 344 L HA 0.462 4.810 4.340 0.012 0.000 0.281 344 L C -0.142 176.749 176.870 0.035 0.000 1.004 344 L CA -0.090 54.784 54.840 0.057 0.000 0.823 344 L CB 0.813 42.923 42.059 0.086 0.000 1.236 344 L HN 0.591 nan 8.230 nan 0.000 0.415 345 N N 4.151 122.752 118.700 -0.166 0.000 2.716 345 N HA -0.223 4.524 4.740 0.012 0.000 0.250 345 N C 0.919 176.110 175.510 -0.532 0.000 1.033 345 N CA 1.314 53.928 53.050 -0.726 0.000 0.727 345 N CB -1.279 36.652 38.487 -0.927 0.000 0.950 345 N HN 1.146 nan 8.380 nan 0.000 0.541 346 G N -2.037 106.742 108.800 -0.034 0.000 2.162 346 G HA2 -0.351 3.617 3.960 0.012 0.000 0.260 346 G HA3 -0.351 3.617 3.960 0.012 0.000 0.260 346 G C -0.111 174.833 174.900 0.073 0.000 0.976 346 G CA 0.874 46.050 45.100 0.125 0.000 0.655 346 G HN 0.415 nan 8.290 nan 0.000 0.533 347 K N 0.475 120.912 120.400 0.062 0.000 2.316 347 K HA 0.514 4.841 4.320 0.012 0.000 0.251 347 K C -2.825 173.761 176.600 -0.023 0.000 0.934 347 K CA -2.349 53.940 56.287 0.002 0.000 0.802 347 K CB 2.449 34.894 32.500 -0.092 0.000 1.171 347 K HN -0.022 nan 8.250 nan 0.000 0.426 348 P HA 0.116 nan 4.420 nan 0.000 0.265 348 P C -0.007 177.233 177.300 -0.101 0.000 1.222 348 P CA -0.024 63.036 63.100 -0.067 0.000 0.767 348 P CB 0.302 31.963 31.700 -0.064 0.000 0.801 349 L N 3.431 124.585 121.223 -0.116 0.000 2.472 349 L HA 0.257 4.604 4.340 0.012 0.000 0.260 349 L C 0.730 177.513 176.870 -0.145 0.000 1.209 349 L CA -0.468 54.286 54.840 -0.143 0.000 0.817 349 L CB 0.201 42.127 42.059 -0.222 0.000 1.106 349 L HN 0.249 nan 8.230 nan 0.000 0.479 350 L N 3.114 124.266 121.223 -0.118 0.000 2.427 350 L HA 0.412 4.759 4.340 0.012 0.000 0.264 350 L C -0.605 176.208 176.870 -0.095 0.000 0.989 350 L CA -0.267 54.490 54.840 -0.139 0.000 0.865 350 L CB 0.859 42.861 42.059 -0.095 0.000 1.209 350 L HN 0.222 nan 8.230 nan 0.000 0.430 351 I N 5.030 125.476 120.570 -0.207 0.000 2.421 351 I HA 0.198 4.375 4.170 0.012 0.000 0.291 351 I C 0.606 176.672 176.117 -0.084 0.000 1.089 351 I CA 0.329 61.512 61.300 -0.195 0.000 1.354 351 I CB 0.210 37.958 38.000 -0.420 0.000 1.413 351 I HN 0.544 nan 8.210 nan 0.000 0.513 352 R N 5.020 125.556 120.500 0.060 0.000 2.937 352 R HA 0.455 4.802 4.340 0.012 0.000 0.264 352 R C 0.482 176.901 176.300 0.198 0.000 1.334 352 R CA -0.323 55.862 56.100 0.143 0.000 1.516 352 R CB 0.945 31.155 30.300 -0.150 0.000 1.187 352 R HN 0.742 nan 8.270 nan 0.000 0.609 353 G N 0.210 109.090 108.800 0.134 0.000 2.552 353 G HA2 0.588 4.556 3.960 0.012 0.000 0.324 353 G HA3 0.588 4.556 3.960 0.012 0.000 0.324 353 G C -1.204 174.041 174.900 0.575 0.000 1.217 353 G CA -0.459 44.736 45.100 0.159 0.000 0.989 353 G HN 0.203 nan 8.290 nan 0.000 0.490 354 V N -0.258 119.956 119.914 0.500 0.000 3.048 354 V HA 0.462 4.590 4.120 0.012 0.000 0.303 354 V C -1.170 175.065 176.094 0.235 0.000 1.214 354 V CA -1.211 61.254 62.300 0.275 0.000 0.984 354 V CB 2.235 33.910 31.823 -0.248 0.000 1.054 354 V HN 0.768 nan 8.190 nan 0.000 0.430 355 N N 4.000 122.758 118.700 0.097 0.000 2.529 355 N HA 0.437 5.185 4.740 0.012 0.000 0.278 355 N C -0.741 174.582 175.510 -0.313 0.000 1.146 355 N CA -0.272 52.713 53.050 -0.109 0.000 0.980 355 N CB 1.386 39.830 38.487 -0.070 0.000 1.124 355 N HN 0.637 nan 8.380 nan 0.000 0.458 356 R N 2.099 122.366 120.500 -0.387 0.000 2.514 356 R HA 0.213 4.560 4.340 0.012 0.000 0.296 356 R C -0.976 175.054 176.300 -0.449 0.000 1.012 356 R CA -0.553 55.326 56.100 -0.368 0.000 0.897 356 R CB 0.848 30.911 30.300 -0.395 0.000 1.184 356 R HN 0.600 nan 8.270 nan 0.000 0.440 357 H N 2.153 121.089 119.070 -0.223 0.000 2.546 357 H HA 0.138 4.701 4.556 0.012 0.000 0.365 357 H C -0.457 174.868 175.328 -0.004 0.000 1.220 357 H CA 0.089 56.097 56.048 -0.068 0.000 1.386 357 H CB 1.441 31.237 29.762 0.056 0.000 1.510 357 H HN 0.558 nan 8.280 nan 0.000 0.591 358 E N 1.836 122.235 120.200 0.332 0.000 1.986 358 E HA 0.104 4.461 4.350 0.012 0.000 0.264 358 E C -0.734 176.024 176.600 0.263 0.000 1.023 358 E CA -0.150 56.365 56.400 0.192 0.000 0.834 358 E CB 0.328 30.154 29.700 0.209 0.000 1.111 358 E HN 0.362 nan 8.360 nan 0.000 0.417 359 H N 1.576 120.725 119.070 0.132 0.000 2.679 359 H HA 0.294 4.857 4.556 0.012 0.000 0.360 359 H C -1.532 173.870 175.328 0.123 0.000 1.105 359 H CA -0.673 55.445 56.048 0.117 0.000 1.196 359 H CB 1.034 30.852 29.762 0.093 0.000 1.636 359 H HN 0.361 nan 8.280 nan 0.000 0.531 360 H N 6.115 124.817 119.070 -0.612 0.000 2.782 360 H HA 0.219 4.782 4.556 0.012 0.000 0.347 360 H C -2.353 172.624 175.328 -0.585 0.000 1.038 360 H CA -2.454 53.367 56.048 -0.380 0.000 1.255 360 H CB 2.556 32.258 29.762 -0.100 0.000 1.623 360 H HN 0.535 nan 8.280 nan 0.000 0.525 361 P HA -0.106 nan 4.420 nan 0.000 0.220 361 P C 1.140 178.361 177.300 -0.131 0.000 1.148 361 P CA 0.556 63.527 63.100 -0.215 0.000 0.803 361 P CB 0.807 32.406 31.700 -0.169 0.000 0.782 362 L N -1.611 119.649 121.223 0.061 0.000 2.357 362 L HA 0.086 4.433 4.340 0.012 0.000 0.211 362 L C 1.899 178.517 176.870 -0.421 0.000 1.075 362 L CA 1.461 56.160 54.840 -0.234 0.000 0.830 362 L CB -1.687 40.099 42.059 -0.455 0.000 0.996 362 L HN 0.107 nan 8.230 nan 0.000 0.467 363 H N -0.866 118.157 119.070 -0.077 0.000 2.592 363 H HA 0.476 5.040 4.556 0.012 0.000 0.279 363 H C 1.465 176.674 175.328 -0.198 0.000 1.089 363 H CA 0.467 56.375 56.048 -0.234 0.000 1.150 363 H CB 0.520 30.014 29.762 -0.447 0.000 1.575 363 H HN 0.241 nan 8.280 nan 0.000 0.547 364 G N 1.801 110.510 108.800 -0.153 0.000 2.601 364 G HA2 -0.374 3.593 3.960 0.012 0.000 0.306 364 G HA3 -0.374 3.593 3.960 0.012 0.000 0.306 364 G C 0.741 175.565 174.900 -0.126 0.000 1.172 364 G CA 0.492 45.462 45.100 -0.215 0.000 0.966 364 G HN 0.454 nan 8.290 nan 0.000 0.542 365 Q N -0.125 119.631 119.800 -0.074 0.000 2.198 365 Q HA 0.481 4.829 4.340 0.012 0.000 0.209 365 Q C 0.275 176.378 176.000 0.171 0.000 0.848 365 Q CA -0.186 55.629 55.803 0.020 0.000 0.974 365 Q CB 1.420 30.080 28.738 -0.129 0.000 1.115 365 Q HN 0.355 nan 8.270 nan 0.000 0.494 366 V N 2.186 122.165 119.914 0.108 0.000 2.488 366 V HA 0.126 4.253 4.120 0.012 0.000 0.277 366 V C 0.208 176.340 176.094 0.063 0.000 1.046 366 V CA 0.262 62.621 62.300 0.098 0.000 0.986 366 V CB 0.813 32.625 31.823 -0.019 0.000 0.989 366 V HN 0.337 nan 8.190 nan 0.000 0.475 367 M N 4.808 124.453 119.600 0.076 0.000 2.423 367 M HA 0.486 4.974 4.480 0.012 0.000 0.335 367 M C -0.441 175.808 176.300 -0.084 0.000 1.177 367 M CA -0.611 54.693 55.300 0.008 0.000 1.038 367 M CB 1.547 34.125 32.600 -0.037 0.000 1.641 367 M HN 0.929 nan 8.290 nan 0.000 0.455 368 D N -1.314 119.046 120.400 -0.066 0.000 2.581 368 D HA 0.250 4.898 4.640 0.012 0.000 0.232 368 D C 0.306 176.579 176.300 -0.044 0.000 1.143 368 D CA -0.683 53.275 54.000 -0.071 0.000 0.881 368 D CB 1.391 42.168 40.800 -0.040 0.000 1.500 368 D HN 0.668 nan 8.370 nan 0.000 0.458 369 E N -0.064 120.120 120.200 -0.026 0.000 2.110 369 E HA -0.288 4.069 4.350 0.012 0.000 0.193 369 E C 1.564 178.202 176.600 0.064 0.000 0.988 369 E CA 1.213 57.627 56.400 0.022 0.000 0.804 369 E CB 0.164 29.893 29.700 0.049 0.000 0.745 369 E HN 0.603 nan 8.360 nan 0.000 0.458 370 Q N -0.369 119.472 119.800 0.069 0.000 2.020 370 Q HA -0.147 4.201 4.340 0.012 0.000 0.202 370 Q C 2.152 178.214 176.000 0.102 0.000 0.982 370 Q CA 2.312 58.167 55.803 0.087 0.000 0.838 370 Q CB -0.015 28.777 28.738 0.090 0.000 0.899 370 Q HN 0.290 nan 8.270 nan 0.000 0.423 371 T N 0.894 115.521 114.554 0.122 0.000 2.720 371 T HA -0.193 4.164 4.350 0.012 0.000 0.268 371 T C 1.771 176.556 174.700 0.142 0.000 1.037 371 T CA 1.632 63.819 62.100 0.145 0.000 1.144 371 T CB -0.168 68.820 68.868 0.200 0.000 0.864 371 T HN 0.296 nan 8.240 nan 0.000 0.444 372 M N 0.410 120.097 119.600 0.144 0.000 2.132 372 M HA -0.065 4.422 4.480 0.012 0.000 0.263 372 M C 2.489 178.887 176.300 0.164 0.000 1.065 372 M CA 1.126 56.579 55.300 0.255 0.000 1.122 372 M CB -0.668 32.130 32.600 0.329 0.000 1.365 372 M HN 0.082 nan 8.290 nan 0.000 0.411 373 V N 0.692 120.651 119.914 0.076 0.000 2.287 373 V HA -0.318 3.810 4.120 0.012 0.000 0.248 373 V C 2.465 178.534 176.094 -0.042 0.000 1.053 373 V CA 2.311 64.593 62.300 -0.030 0.000 1.027 373 V CB -0.901 30.943 31.823 0.036 0.000 0.646 373 V HN 0.585 nan 8.190 nan 0.000 0.447 374 Q N -0.413 119.417 119.800 0.051 0.000 2.096 374 Q HA -0.287 4.061 4.340 0.012 0.000 0.204 374 Q C 1.922 177.992 176.000 0.116 0.000 0.982 374 Q CA 2.246 58.098 55.803 0.082 0.000 0.850 374 Q CB -0.219 28.584 28.738 0.109 0.000 0.901 374 Q HN 0.607 nan 8.270 nan 0.000 0.422 375 D N 0.362 120.852 120.400 0.150 0.000 2.144 375 D HA -0.094 4.554 4.640 0.012 0.000 0.200 375 D C 1.925 178.180 176.300 -0.075 0.000 0.978 375 D CA 0.903 55.002 54.000 0.165 0.000 0.833 375 D CB -0.098 40.777 40.800 0.125 0.000 0.961 375 D HN 0.360 nan 8.370 nan 0.000 0.470 376 I N 0.590 121.105 120.570 -0.092 0.000 2.315 376 I HA -0.212 3.965 4.170 0.012 0.000 0.248 376 I C 2.378 178.349 176.117 -0.244 0.000 1.117 376 I CA 0.465 61.601 61.300 -0.273 0.000 1.404 376 I CB 0.031 37.735 38.000 -0.494 0.000 1.071 376 I HN 0.014 nan 8.210 nan 0.000 0.419 377 L N 0.107 121.230 121.223 -0.168 0.000 1.989 377 L HA -0.259 4.089 4.340 0.012 0.000 0.211 377 L C 2.574 179.506 176.870 0.103 0.000 1.071 377 L CA 1.728 56.558 54.840 -0.017 0.000 0.749 377 L CB -0.727 41.350 42.059 0.029 0.000 0.890 377 L HN 0.299 nan 8.230 nan 0.000 0.431 378 L N -1.023 120.286 121.223 0.144 0.000 2.079 378 L HA -0.261 4.087 4.340 0.012 0.000 0.210 378 L C 2.704 179.734 176.870 0.266 0.000 1.081 378 L CA 1.305 56.313 54.840 0.280 0.000 0.752 378 L CB -0.321 42.024 42.059 0.476 0.000 0.896 378 L HN 0.294 nan 8.230 nan 0.000 0.433 379 M N -0.663 118.918 119.600 -0.031 0.000 2.086 379 M HA -0.227 4.260 4.480 0.012 0.000 0.261 379 M C 2.285 178.650 176.300 0.108 0.000 1.067 379 M CA 1.852 57.062 55.300 -0.150 0.000 1.116 379 M CB -0.281 31.999 32.600 -0.533 0.000 1.348 379 M HN 0.066 nan 8.290 nan 0.000 0.407 380 K N -0.121 120.256 120.400 -0.037 0.000 2.097 380 K HA -0.156 4.171 4.320 0.012 0.000 0.205 380 K C 1.954 178.535 176.600 -0.032 0.000 1.050 380 K CA 1.162 57.342 56.287 -0.178 0.000 0.938 380 K CB -0.195 32.016 32.500 -0.482 0.000 0.718 380 K HN 0.420 nan 8.250 nan 0.000 0.442 381 Q N 0.456 120.392 119.800 0.227 0.000 2.364 381 Q HA -0.059 4.288 4.340 0.012 0.000 0.209 381 Q C 0.811 177.103 176.000 0.486 0.000 0.977 381 Q CA 0.822 56.878 55.803 0.422 0.000 0.885 381 Q CB 0.123 29.094 28.738 0.388 0.000 0.941 381 Q HN 0.275 nan 8.270 nan 0.000 0.464 382 N N 0.321 119.255 118.700 0.391 0.000 2.273 382 N HA 0.051 4.799 4.740 0.012 0.000 0.231 382 N C -0.627 175.008 175.510 0.209 0.000 1.134 382 N CA 0.038 53.318 53.050 0.383 0.000 0.856 382 N CB 0.759 39.547 38.487 0.501 0.000 1.068 382 N HN 0.162 nan 8.380 nan 0.000 0.510 383 N N 0.031 118.849 118.700 0.197 0.000 2.829 383 N HA -0.181 4.566 4.740 0.012 0.000 0.250 383 N C -0.765 174.686 175.510 -0.097 0.000 1.090 383 N CA 0.761 53.884 53.050 0.121 0.000 0.781 383 N CB -1.777 36.691 38.487 -0.031 0.000 1.124 383 N HN 0.238 nan 8.380 nan 0.000 0.559 384 F N 1.254 121.236 119.950 0.053 0.000 2.375 384 F HA 0.313 4.847 4.527 0.012 0.000 0.333 384 F C 1.787 177.599 175.800 0.019 0.000 1.104 384 F CA -0.452 57.563 58.000 0.026 0.000 1.149 384 F CB 0.796 39.781 39.000 -0.024 0.000 1.190 384 F HN 0.049 nan 8.300 nan 0.000 0.533 385 N N 0.521 119.347 118.700 0.209 0.000 2.143 385 N HA 0.422 5.169 4.740 0.012 0.000 0.222 385 N C -0.823 174.750 175.510 0.106 0.000 1.264 385 N CA -0.016 53.094 53.050 0.099 0.000 0.897 385 N CB 0.711 39.314 38.487 0.192 0.000 1.092 385 N HN 0.451 nan 8.380 nan 0.000 0.516 386 A N -0.450 122.505 122.820 0.226 0.000 2.587 386 A HA 0.780 5.108 4.320 0.012 0.000 0.293 386 A C -1.701 176.122 177.584 0.398 0.000 1.087 386 A CA -0.753 51.478 52.037 0.323 0.000 0.692 386 A CB 1.940 21.113 19.000 0.289 0.000 1.291 386 A HN 0.227 nan 8.150 nan 0.000 0.407 387 V N 1.187 121.402 119.914 0.501 0.000 2.808 387 V HA 0.787 4.915 4.120 0.012 0.000 0.308 387 V C -0.686 175.549 176.094 0.236 0.000 1.099 387 V CA -0.660 61.879 62.300 0.398 0.000 0.920 387 V CB 1.852 33.822 31.823 0.245 0.000 1.014 387 V HN 1.167 nan 8.190 nan 0.000 0.425 388 R N 5.166 125.622 120.500 -0.074 0.000 2.393 388 R HA 0.532 4.879 4.340 0.012 0.000 0.310 388 R C -0.925 175.217 176.300 -0.263 0.000 0.968 388 R CA -0.440 55.418 56.100 -0.403 0.000 0.867 388 R CB 1.279 31.092 30.300 -0.812 0.000 1.124 388 R HN 0.775 nan 8.270 nan 0.000 0.450 389 C N 4.472 123.643 119.300 -0.215 0.000 2.518 389 C HA 0.168 4.635 4.460 0.012 0.000 0.456 389 C C 0.441 175.134 174.990 -0.495 0.000 1.016 389 C CA -0.549 58.282 59.018 -0.313 0.000 1.210 389 C CB -1.773 25.889 27.740 -0.131 0.000 1.542 389 C HN 0.753 nan 8.230 nan 0.000 0.545 390 S N 1.805 117.097 115.700 -0.681 0.000 2.465 390 S HA 0.162 4.639 4.470 0.012 0.000 0.280 390 S C -0.109 173.633 174.600 -1.430 0.000 1.232 390 S CA 0.143 57.688 58.200 -1.091 0.000 1.066 390 S CB 0.065 62.646 63.200 -1.032 0.000 0.929 390 S HN 0.744 nan 8.310 nan 0.000 0.494 391 H N 3.859 122.427 119.070 -0.837 0.000 2.439 391 H HA 0.333 4.897 4.556 0.012 0.000 0.230 391 H C -1.117 174.139 175.328 -0.120 0.000 1.420 391 H CA -0.357 55.535 56.048 -0.261 0.000 1.305 391 H CB -0.174 29.613 29.762 0.042 0.000 1.667 391 H HN 0.895 nan 8.280 nan 0.000 0.515 392 Y N -2.728 117.678 120.300 0.176 0.000 2.765 392 Y HA 0.363 4.920 4.550 0.013 0.000 0.350 392 Y C -3.331 172.676 175.900 0.179 0.000 1.196 392 Y CA -3.019 55.193 58.100 0.186 0.000 1.119 392 Y CB -0.018 38.560 38.460 0.197 0.000 1.368 392 Y HN -0.071 nan 8.280 nan 0.000 0.463 393 P HA 0.149 nan 4.420 nan 0.000 0.268 393 P C -0.617 176.971 177.300 0.479 0.000 1.205 393 P CA 0.185 63.526 63.100 0.401 0.000 0.771 393 P CB 0.582 32.452 31.700 0.282 0.000 0.858 394 N N 0.602 119.592 118.700 0.483 0.000 2.413 394 N HA 0.071 4.818 4.740 0.012 0.000 0.266 394 N C 0.229 175.985 175.510 0.410 0.000 1.238 394 N CA -0.575 52.689 53.050 0.358 0.000 0.972 394 N CB 0.298 38.801 38.487 0.027 0.000 1.210 394 N HN 0.610 nan 8.380 nan 0.000 0.547 395 H N 2.195 121.381 119.070 0.192 0.000 3.001 395 H HA -0.005 4.559 4.556 0.012 0.000 0.334 395 H C -1.612 173.882 175.328 0.277 0.000 1.034 395 H CA -0.835 55.302 56.048 0.148 0.000 1.420 395 H CB 0.965 30.784 29.762 0.094 0.000 1.405 395 H HN 0.442 nan 8.280 nan 0.000 0.593 396 P HA -0.215 nan 4.420 nan 0.000 0.216 396 P C 1.771 179.382 177.300 0.519 0.000 1.150 396 P CA 0.798 64.127 63.100 0.381 0.000 0.843 396 P CB 0.236 32.013 31.700 0.129 0.000 0.787 397 L N -0.999 120.601 121.223 0.627 0.000 2.275 397 L HA -0.014 4.334 4.340 0.012 0.000 0.215 397 L C 2.365 179.409 176.870 0.291 0.000 1.119 397 L CA 1.180 56.259 54.840 0.398 0.000 0.790 397 L CB -1.499 40.748 42.059 0.312 0.000 0.919 397 L HN 0.023 nan 8.230 nan 0.000 0.443 398 W N -0.483 120.859 121.300 0.069 0.000 2.342 398 W HA -0.331 4.335 4.660 0.012 0.000 0.297 398 W C 1.884 178.246 176.519 -0.260 0.000 1.213 398 W CA 1.831 59.079 57.345 -0.161 0.000 1.251 398 W CB -0.275 28.998 29.460 -0.312 0.000 1.136 398 W HN 0.286 nan 8.180 nan 0.000 0.526 399 Y N 0.871 121.134 120.300 -0.062 0.000 2.200 399 Y HA -0.197 4.360 4.550 0.012 0.000 0.290 399 Y C 2.872 178.603 175.900 -0.281 0.000 1.137 399 Y CA 2.180 60.033 58.100 -0.411 0.000 1.163 399 Y CB -1.300 36.532 38.460 -1.046 0.000 0.988 399 Y HN -0.237 nan 8.280 nan 0.000 0.518 400 T N 0.959 115.574 114.554 0.102 0.000 2.665 400 T HA -0.219 4.138 4.350 0.012 0.000 0.268 400 T C 1.974 176.727 174.700 0.087 0.000 1.035 400 T CA 1.800 64.012 62.100 0.186 0.000 1.151 400 T CB -0.670 68.332 68.868 0.224 0.000 0.862 400 T HN 0.236 nan 8.240 nan 0.000 0.438 401 L N 0.176 121.399 121.223 -0.001 0.000 2.056 401 L HA -0.064 4.283 4.340 0.012 0.000 0.207 401 L C 2.887 179.721 176.870 -0.060 0.000 1.078 401 L CA 0.878 55.726 54.840 0.014 0.000 0.749 401 L CB -0.684 41.336 42.059 -0.066 0.000 0.901 401 L HN 0.359 nan 8.230 nan 0.000 0.433 402 C N -0.336 118.773 119.300 -0.320 0.000 2.450 402 C HA -0.107 4.360 4.460 0.012 0.000 0.279 402 C C 2.400 177.436 174.990 0.078 0.000 1.335 402 C CA 0.246 59.119 59.018 -0.241 0.000 1.749 402 C CB -0.749 26.737 27.740 -0.423 0.000 1.963 402 C HN 0.528 nan 8.230 nan 0.000 0.501 403 D N 0.696 121.155 120.400 0.098 0.000 2.117 403 D HA -0.103 4.545 4.640 0.012 0.000 0.197 403 D C 2.390 178.902 176.300 0.353 0.000 0.987 403 D CA 1.205 55.348 54.000 0.239 0.000 0.829 403 D CB -0.335 40.568 40.800 0.173 0.000 0.961 403 D HN 0.511 nan 8.370 nan 0.000 0.460 404 R N -0.892 119.708 120.500 0.167 0.000 2.073 404 R HA -0.037 4.311 4.340 0.012 0.000 0.229 404 R C 2.122 178.391 176.300 -0.051 0.000 1.120 404 R CA 0.798 56.927 56.100 0.047 0.000 0.967 404 R CB -0.246 30.013 30.300 -0.069 0.000 0.862 404 R HN 0.295 nan 8.270 nan 0.000 0.436 405 Y N -0.301 120.003 120.300 0.006 0.000 2.490 405 Y HA 0.188 4.745 4.550 0.012 0.000 0.285 405 Y C 0.877 176.706 175.900 -0.119 0.000 1.117 405 Y CA 0.613 58.693 58.100 -0.034 0.000 1.262 405 Y CB 0.814 39.225 38.460 -0.081 0.000 1.043 405 Y HN 0.250 nan 8.280 nan 0.000 0.553 406 G N 1.369 110.207 108.800 0.062 0.000 2.929 406 G HA2 -0.168 3.799 3.960 0.012 0.000 0.335 406 G HA3 -0.168 3.799 3.960 0.012 0.000 0.335 406 G C -1.177 173.583 174.900 -0.233 0.000 1.054 406 G CA -0.535 44.486 45.100 -0.131 0.000 1.067 406 G HN 0.172 nan 8.290 nan 0.000 0.472 407 L N 1.168 122.323 121.223 -0.114 0.000 2.445 407 L HA 0.511 4.858 4.340 0.012 0.000 0.262 407 L C -0.000 176.873 176.870 0.005 0.000 0.974 407 L CA -1.300 53.437 54.840 -0.171 0.000 0.822 407 L CB 2.029 44.014 42.059 -0.123 0.000 1.339 407 L HN 0.494 nan 8.230 nan 0.000 0.409 408 Y N 1.743 122.179 120.300 0.226 0.000 2.359 408 Y HA 0.398 4.956 4.550 0.014 0.000 0.330 408 Y C 0.181 176.221 175.900 0.233 0.000 1.143 408 Y CA -0.661 57.610 58.100 0.284 0.000 1.318 408 Y CB 1.345 39.945 38.460 0.235 0.000 1.234 408 Y HN 0.153 nan 8.280 nan 0.000 0.522 409 V N 4.116 124.228 119.914 0.330 0.000 2.680 409 V HA 0.325 4.453 4.120 0.012 0.000 0.309 409 V C -0.609 175.573 176.094 0.146 0.000 1.052 409 V CA -1.033 61.403 62.300 0.227 0.000 0.908 409 V CB 1.991 33.907 31.823 0.156 0.000 1.001 409 V HN 0.445 nan 8.190 nan 0.000 0.431 410 V N 2.996 122.965 119.914 0.091 0.000 2.333 410 V HA 0.321 4.448 4.120 0.012 0.000 0.274 410 V C -0.339 175.786 176.094 0.051 0.000 1.028 410 V CA -0.344 61.958 62.300 0.003 0.000 0.851 410 V CB 1.402 33.128 31.823 -0.161 0.000 1.000 410 V HN 0.882 nan 8.190 nan 0.000 0.456 411 D N 4.221 124.681 120.400 0.102 0.000 2.280 411 D HA 0.295 4.942 4.640 0.012 0.000 0.243 411 D C -0.209 176.280 176.300 0.316 0.000 1.129 411 D CA -0.089 54.066 54.000 0.259 0.000 0.848 411 D CB 1.210 42.207 40.800 0.327 0.000 1.107 411 D HN 0.680 nan 8.370 nan 0.000 0.471 412 E N 2.050 122.395 120.200 0.242 0.000 2.187 412 E HA 0.615 4.973 4.350 0.012 0.000 0.268 412 E C -0.909 175.828 176.600 0.228 0.000 0.896 412 E CA -1.054 55.478 56.400 0.219 0.000 0.766 412 E CB 1.288 31.067 29.700 0.132 0.000 1.142 412 E HN 0.473 nan 8.360 nan 0.000 0.408 413 A N 3.911 126.861 122.820 0.216 0.000 2.483 413 A HA 0.028 4.356 4.320 0.012 0.000 0.238 413 A C 0.349 178.059 177.584 0.211 0.000 1.070 413 A CA -0.164 51.980 52.037 0.177 0.000 0.770 413 A CB 0.112 19.183 19.000 0.119 0.000 1.008 413 A HN 0.716 nan 8.150 nan 0.000 0.497 414 N N 1.354 120.186 118.700 0.220 0.000 3.178 414 N HA 0.246 4.993 4.740 0.012 0.000 0.300 414 N C -1.006 174.636 175.510 0.220 0.000 1.242 414 N CA 0.142 53.357 53.050 0.275 0.000 1.192 414 N CB -0.797 37.859 38.487 0.282 0.000 1.463 414 N HN 0.478 nan 8.380 nan 0.000 0.539 415 I N 0.889 121.583 120.570 0.206 0.000 2.439 415 I HA 0.290 4.468 4.170 0.012 0.000 0.283 415 I C -0.452 175.767 176.117 0.170 0.000 1.023 415 I CA -0.662 60.740 61.300 0.170 0.000 1.100 415 I CB 1.526 39.599 38.000 0.122 0.000 1.238 415 I HN 0.257 nan 8.210 nan 0.000 0.445 416 E N 4.488 124.780 120.200 0.153 0.000 2.294 416 E HA 0.305 4.663 4.350 0.012 0.000 0.272 416 E C -0.500 176.152 176.600 0.087 0.000 0.896 416 E CA -0.501 55.955 56.400 0.094 0.000 0.802 416 E CB 1.490 31.219 29.700 0.048 0.000 1.267 416 E HN 0.599 nan 8.360 nan 0.000 0.406 417 T N 0.752 115.347 114.554 0.069 0.000 3.308 417 T HA 0.162 4.519 4.350 0.012 0.000 0.270 417 T C 0.944 175.674 174.700 0.048 0.000 0.992 417 T CA -0.262 61.903 62.100 0.108 0.000 0.931 417 T CB -0.292 68.635 68.868 0.098 0.000 1.142 417 T HN 0.669 nan 8.240 nan 0.000 0.525 418 H N 1.432 120.404 119.070 -0.163 0.000 2.292 418 H HA -0.135 4.428 4.556 0.013 0.000 0.292 418 H C 2.384 177.579 175.328 -0.221 0.000 1.100 418 H CA 1.537 57.459 56.048 -0.209 0.000 1.238 418 H CB -0.307 29.293 29.762 -0.270 0.000 1.355 418 H HN 0.587 nan 8.280 nan 0.000 0.484 419 G N 0.396 109.036 108.800 -0.267 0.000 2.586 419 G HA2 -0.118 3.850 3.960 0.012 0.000 0.215 419 G HA3 -0.118 3.850 3.960 0.012 0.000 0.215 419 G C 0.531 175.543 174.900 0.187 0.000 1.128 419 G CA 0.067 45.045 45.100 -0.203 0.000 0.774 419 G HN 0.174 nan 8.290 nan 0.000 0.543 420 M N 0.083 119.827 119.600 0.240 0.000 2.198 420 M HA 0.337 4.824 4.480 0.012 0.000 0.315 420 M C -0.379 175.960 176.300 0.065 0.000 1.134 420 M CA -0.195 55.206 55.300 0.170 0.000 1.171 420 M CB 1.414 34.065 32.600 0.086 0.000 1.413 420 M HN -0.205 nan 8.290 nan 0.000 0.467 421 V N 3.568 123.501 119.914 0.030 0.000 2.482 421 V HA 0.348 4.475 4.120 0.012 0.000 0.295 421 V C -2.017 174.073 176.094 -0.007 0.000 1.026 421 V CA -1.306 60.997 62.300 0.004 0.000 0.856 421 V CB 1.866 33.687 31.823 -0.004 0.000 1.001 421 V HN 0.722 nan 8.190 nan 0.000 0.424 422 P HA 0.226 nan 4.420 nan 0.000 0.275 422 P C 0.976 178.279 177.300 0.004 0.000 1.266 422 P CA -0.469 62.628 63.100 -0.005 0.000 0.793 422 P CB 1.039 32.736 31.700 -0.004 0.000 1.074 423 M N 0.758 120.364 119.600 0.010 0.000 2.279 423 M HA -0.164 4.323 4.480 0.012 0.000 0.264 423 M C 1.223 177.542 176.300 0.032 0.000 1.062 423 M CA 1.772 57.086 55.300 0.023 0.000 1.099 423 M CB -0.489 32.113 32.600 0.004 0.000 1.394 423 M HN 0.367 nan 8.290 nan 0.000 0.426 424 N N 0.039 118.760 118.700 0.036 0.000 2.362 424 N HA -0.095 4.652 4.740 0.012 0.000 0.204 424 N C 1.169 176.668 175.510 -0.019 0.000 1.166 424 N CA 0.227 53.304 53.050 0.045 0.000 0.831 424 N CB -0.774 37.756 38.487 0.071 0.000 1.008 424 N HN 0.381 nan 8.380 nan 0.000 0.472 425 R N 0.458 120.933 120.500 -0.041 0.000 2.103 425 R HA -0.044 4.304 4.340 0.012 0.000 0.242 425 R C 1.511 177.724 176.300 -0.146 0.000 1.142 425 R CA 1.440 57.494 56.100 -0.077 0.000 0.960 425 R CB -0.056 30.200 30.300 -0.073 0.000 0.858 425 R HN 0.291 nan 8.270 nan 0.000 0.439 426 L N -0.575 120.500 121.223 -0.248 0.000 2.127 426 L HA -0.022 4.326 4.340 0.012 0.000 0.203 426 L C 2.531 179.267 176.870 -0.223 0.000 1.080 426 L CA 1.410 55.980 54.840 -0.450 0.000 0.768 426 L CB -0.786 40.779 42.059 -0.823 0.000 0.924 426 L HN 0.366 nan 8.230 nan 0.000 0.444 427 T N -3.952 110.502 114.554 -0.167 0.000 2.977 427 T HA -0.191 4.166 4.350 0.012 0.000 0.271 427 T C 1.253 175.866 174.700 -0.145 0.000 1.105 427 T CA 1.400 63.384 62.100 -0.193 0.000 1.116 427 T CB -0.278 68.442 68.868 -0.246 0.000 0.878 427 T HN 0.154 nan 8.240 nan 0.000 0.509 428 D N 0.961 121.311 120.400 -0.083 0.000 2.349 428 D HA 0.090 4.737 4.640 0.012 0.000 0.214 428 D C -0.193 176.088 176.300 -0.031 0.000 1.063 428 D CA -0.232 53.729 54.000 -0.065 0.000 0.847 428 D CB -0.063 40.706 40.800 -0.051 0.000 0.933 428 D HN 0.301 nan 8.370 nan 0.000 0.513 429 D N -0.073 120.327 120.400 -0.001 0.000 2.317 429 D HA 0.114 4.761 4.640 0.012 0.000 0.234 429 D C -1.622 174.734 176.300 0.094 0.000 1.112 429 D CA -2.238 51.804 54.000 0.070 0.000 0.840 429 D CB 1.954 42.852 40.800 0.162 0.000 1.078 429 D HN -0.052 nan 8.370 nan 0.000 0.486 430 P HA -0.159 nan 4.420 nan 0.000 0.216 430 P C 1.111 178.412 177.300 0.002 0.000 1.150 430 P CA 0.968 64.076 63.100 0.014 0.000 0.843 430 P CB 0.246 31.943 31.700 -0.004 0.000 0.787 431 R N -1.847 118.655 120.500 0.004 0.000 2.241 431 R HA -0.097 4.251 4.340 0.012 0.000 0.224 431 R C 1.571 177.732 176.300 -0.231 0.000 1.101 431 R CA 1.090 57.120 56.100 -0.117 0.000 0.995 431 R CB -0.743 29.475 30.300 -0.137 0.000 0.870 431 R HN 0.383 nan 8.270 nan 0.000 0.463 432 W N -0.128 121.116 121.300 -0.092 0.000 3.127 432 W HA 0.147 4.814 4.660 0.012 0.000 0.344 432 W C 1.534 177.994 176.519 -0.099 0.000 1.151 432 W CA -0.636 56.654 57.345 -0.092 0.000 1.765 432 W CB 0.019 29.423 29.460 -0.093 0.000 1.085 432 W HN -0.047 nan 8.180 nan 0.000 0.596 433 L N 2.468 123.723 121.223 0.054 0.000 1.989 433 L HA -0.104 4.243 4.340 0.012 0.000 0.211 433 L C -0.594 176.245 176.870 -0.051 0.000 1.071 433 L CA 2.386 57.216 54.840 -0.016 0.000 0.749 433 L CB -1.732 40.304 42.059 -0.038 0.000 0.890 433 L HN -0.222 nan 8.230 nan 0.000 0.431 434 P HA -0.169 nan 4.420 nan 0.000 0.215 434 P C 1.588 178.840 177.300 -0.080 0.000 1.157 434 P CA 2.274 65.317 63.100 -0.094 0.000 0.868 434 P CB -0.273 31.361 31.700 -0.109 0.000 0.788 435 A N -1.086 121.703 122.820 -0.052 0.000 1.902 435 A HA -0.180 4.147 4.320 0.012 0.000 0.217 435 A C 2.299 179.900 177.584 0.028 0.000 1.181 435 A CA 1.913 53.953 52.037 0.004 0.000 0.623 435 A CB -1.469 17.567 19.000 0.059 0.000 0.818 435 A HN 0.098 nan 8.150 nan 0.000 0.443 436 M N 0.209 119.831 119.600 0.037 0.000 2.086 436 M HA -0.166 4.321 4.480 0.012 0.000 0.261 436 M C 2.607 178.854 176.300 -0.088 0.000 1.067 436 M CA 1.812 57.108 55.300 -0.007 0.000 1.116 436 M CB -0.382 32.193 32.600 -0.042 0.000 1.348 436 M HN 0.687 nan 8.290 nan 0.000 0.407 437 S N 0.374 115.996 115.700 -0.130 0.000 2.365 437 S HA -0.238 4.239 4.470 0.012 0.000 0.225 437 S C 1.614 176.041 174.600 -0.288 0.000 1.039 437 S CA 1.834 59.889 58.200 -0.242 0.000 1.033 437 S CB -0.710 62.330 63.200 -0.267 0.000 0.887 437 S HN 0.543 nan 8.310 nan 0.000 0.447 438 E N 0.832 120.915 120.200 -0.196 0.000 2.153 438 E HA -0.079 4.278 4.350 0.012 0.000 0.194 438 E C 2.438 178.951 176.600 -0.145 0.000 0.988 438 E CA 0.911 57.203 56.400 -0.180 0.000 0.811 438 E CB -0.104 29.529 29.700 -0.111 0.000 0.746 438 E HN 0.570 nan 8.360 nan 0.000 0.466 439 R N -0.066 120.379 120.500 -0.091 0.000 2.115 439 R HA -0.073 4.275 4.340 0.012 0.000 0.230 439 R C 2.239 178.497 176.300 -0.070 0.000 1.111 439 R CA 0.667 56.745 56.100 -0.038 0.000 0.976 439 R CB -0.014 30.305 30.300 0.031 0.000 0.870 439 R HN 0.018 nan 8.270 nan 0.000 0.445 440 V N 0.240 120.066 119.914 -0.146 0.000 2.300 440 V HA -0.202 3.925 4.120 0.012 0.000 0.241 440 V C 2.468 178.374 176.094 -0.314 0.000 1.034 440 V CA 2.209 64.398 62.300 -0.184 0.000 1.021 440 V CB -0.437 31.265 31.823 -0.203 0.000 0.662 440 V HN 0.535 nan 8.190 nan 0.000 0.458 441 T N -0.424 113.799 114.554 -0.552 0.000 2.720 441 T HA -0.275 4.082 4.350 0.012 0.000 0.268 441 T C 1.892 176.411 174.700 -0.302 0.000 1.037 441 T CA 1.610 63.285 62.100 -0.709 0.000 1.144 441 T CB -0.483 67.760 68.868 -1.042 0.000 0.864 441 T HN 0.415 nan 8.240 nan 0.000 0.444 442 R N 0.339 120.696 120.500 -0.238 0.000 2.237 442 R HA 0.249 4.597 4.340 0.012 0.000 0.219 442 R C 2.570 178.786 176.300 -0.141 0.000 1.080 442 R CA 1.101 57.102 56.100 -0.165 0.000 0.995 442 R CB -0.453 29.761 30.300 -0.143 0.000 0.875 442 R HN 0.516 nan 8.270 nan 0.000 0.462 443 M N 0.417 119.938 119.600 -0.132 0.000 2.123 443 M HA -0.119 4.369 4.480 0.012 0.000 0.263 443 M C 1.746 177.966 176.300 -0.133 0.000 1.069 443 M CA 1.618 56.873 55.300 -0.075 0.000 1.133 443 M CB 0.160 32.761 32.600 0.001 0.000 1.356 443 M HN -0.023 nan 8.290 nan 0.000 0.415 444 V N 1.137 120.875 119.914 -0.294 0.000 2.343 444 V HA -0.275 3.853 4.120 0.012 0.000 0.247 444 V C 2.262 178.236 176.094 -0.200 0.000 1.051 444 V CA 1.953 63.970 62.300 -0.472 0.000 1.036 444 V CB -1.031 30.468 31.823 -0.539 0.000 0.654 444 V HN 0.586 nan 8.190 nan 0.000 0.451 445 Q N -0.352 119.364 119.800 -0.139 0.000 2.226 445 Q HA -0.222 4.126 4.340 0.012 0.000 0.204 445 Q C 2.419 178.312 176.000 -0.179 0.000 0.975 445 Q CA 1.594 57.313 55.803 -0.140 0.000 0.866 445 Q CB -0.188 28.491 28.738 -0.097 0.000 0.915 445 Q HN 0.604 nan 8.270 nan 0.000 0.440 446 R N 0.085 120.481 120.500 -0.174 0.000 2.237 446 R HA -0.039 4.308 4.340 0.012 0.000 0.195 446 R C 0.200 176.414 176.300 -0.143 0.000 0.956 446 R CA 0.841 56.814 56.100 -0.212 0.000 1.029 446 R CB 0.603 30.764 30.300 -0.231 0.000 0.972 446 R HN 0.059 nan 8.270 nan 0.000 0.493 447 D N 0.426 120.804 120.400 -0.037 0.000 2.433 447 D HA 0.023 4.670 4.640 0.012 0.000 0.211 447 D C 1.265 177.679 176.300 0.190 0.000 1.114 447 D CA 0.019 54.055 54.000 0.060 0.000 0.837 447 D CB 0.383 41.176 40.800 -0.011 0.000 0.984 447 D HN 0.341 nan 8.370 nan 0.000 0.505 448 R N 0.512 121.108 120.500 0.160 0.000 2.241 448 R HA -0.003 4.345 4.340 0.012 0.000 0.224 448 R C 0.619 176.920 176.300 0.001 0.000 1.101 448 R CA 0.948 57.156 56.100 0.180 0.000 0.995 448 R CB -0.239 30.106 30.300 0.074 0.000 0.870 448 R HN -0.097 nan 8.270 nan 0.000 0.463 449 N N 0.293 118.914 118.700 -0.131 0.000 2.280 449 N HA 0.011 4.758 4.740 0.012 0.000 0.192 449 N C -0.600 174.785 175.510 -0.208 0.000 1.109 449 N CA 0.189 53.134 53.050 -0.175 0.000 0.855 449 N CB 0.124 38.465 38.487 -0.242 0.000 0.974 449 N HN 0.285 nan 8.380 nan 0.000 0.482 450 H N 1.127 120.135 119.070 -0.104 0.000 2.742 450 H HA 0.118 4.681 4.556 0.012 0.000 0.302 450 H C -1.224 173.954 175.328 -0.249 0.000 1.069 450 H CA -1.306 54.666 56.048 -0.127 0.000 1.446 450 H CB 1.546 31.272 29.762 -0.060 0.000 1.462 450 H HN 0.019 nan 8.280 nan 0.000 0.499 451 P HA -0.174 nan 4.420 nan 0.000 0.217 451 P C 1.583 178.378 177.300 -0.842 0.000 1.150 451 P CA 1.359 64.060 63.100 -0.666 0.000 0.832 451 P CB 0.244 31.240 31.700 -1.175 0.000 0.787 452 S N -0.652 114.698 115.700 -0.584 0.000 2.383 452 S HA -0.087 4.390 4.470 0.012 0.000 0.229 452 S C 1.137 175.715 174.600 -0.038 0.000 1.030 452 S CA 0.726 58.783 58.200 -0.239 0.000 1.002 452 S CB -1.674 61.530 63.200 0.007 0.000 0.829 452 S HN -0.051 nan 8.310 nan 0.000 0.467 453 V N 3.504 123.371 119.914 -0.077 0.000 2.479 453 V HA 0.223 4.350 4.120 0.012 0.000 0.281 453 V C 1.058 177.019 176.094 -0.221 0.000 1.031 453 V CA 0.204 62.420 62.300 -0.139 0.000 1.038 453 V CB 0.461 32.109 31.823 -0.292 0.000 0.981 453 V HN 0.643 nan 8.190 nan 0.000 0.478 454 I N 2.589 123.076 120.570 -0.139 0.000 4.288 454 I HA 0.526 4.703 4.170 0.012 0.000 0.331 454 I C 0.301 176.304 176.117 -0.191 0.000 1.322 454 I CA 0.412 61.642 61.300 -0.117 0.000 1.149 454 I CB 0.472 38.493 38.000 0.034 0.000 1.112 454 I HN 0.322 nan 8.210 nan 0.000 0.403 455 I N 0.144 120.568 120.570 -0.243 0.000 2.722 455 I HA 0.372 4.550 4.170 0.012 0.000 0.295 455 I C -1.629 174.363 176.117 -0.209 0.000 1.161 455 I CA -0.325 60.866 61.300 -0.182 0.000 1.032 455 I CB 2.172 40.172 38.000 0.000 0.000 1.244 455 I HN 0.006 nan 8.210 nan 0.000 0.421 456 W N 4.090 125.444 121.300 0.089 0.000 2.469 456 W HA 0.658 5.325 4.660 0.010 0.000 0.320 456 W C 0.290 176.878 176.519 0.115 0.000 1.086 456 W CA -0.725 56.678 57.345 0.097 0.000 1.211 456 W CB 1.738 31.252 29.460 0.090 0.000 1.298 456 W HN 0.312 nan 8.180 nan 0.000 0.525 457 S N 2.983 118.917 115.700 0.390 0.000 2.503 457 S HA 0.413 4.890 4.470 0.012 0.000 0.301 457 S C 0.239 175.015 174.600 0.295 0.000 1.087 457 S CA -0.716 57.662 58.200 0.297 0.000 1.042 457 S CB 0.868 64.189 63.200 0.202 0.000 1.043 457 S HN 0.590 nan 8.310 nan 0.000 0.489 458 L N 4.120 125.519 121.223 0.294 0.000 2.610 458 L HA 0.337 4.684 4.340 0.012 0.000 0.232 458 L C 1.448 178.415 176.870 0.161 0.000 1.149 458 L CA 0.520 55.460 54.840 0.167 0.000 0.872 458 L CB -1.275 40.777 42.059 -0.012 0.000 0.992 458 L HN 1.029 nan 8.230 nan 0.000 0.447 459 G N 0.100 109.069 108.800 0.282 0.000 2.297 459 G HA2 -0.156 3.811 3.960 0.012 0.000 0.209 459 G HA3 -0.156 3.811 3.960 0.012 0.000 0.209 459 G C -1.468 173.620 174.900 0.313 0.000 1.267 459 G CA -0.379 44.883 45.100 0.270 0.000 1.127 459 G HN 0.236 nan 8.290 nan 0.000 0.498 460 N N -0.018 118.802 118.700 0.200 0.000 2.484 460 N HA 0.470 5.217 4.740 0.012 0.000 0.269 460 N C -0.564 174.868 175.510 -0.130 0.000 1.237 460 N CA 0.145 53.159 53.050 -0.060 0.000 0.838 460 N CB 1.534 39.734 38.487 -0.479 0.000 1.593 460 N HN 0.935 nan 8.380 nan 0.000 0.485 461 E N 0.515 120.536 120.200 -0.299 0.000 2.131 461 E HA -0.179 4.178 4.350 0.012 0.000 0.166 461 E C -0.855 175.630 176.600 -0.192 0.000 1.514 461 E CA 0.811 56.955 56.400 -0.427 0.000 0.646 461 E CB -1.232 27.930 29.700 -0.898 0.000 1.051 461 E HN 0.427 nan 8.360 nan 0.000 0.315 462 S N 0.130 115.859 115.700 0.049 0.000 3.021 462 S HA 0.385 4.862 4.470 0.012 0.000 0.252 462 S C 0.647 175.403 174.600 0.260 0.000 0.996 462 S CA -0.209 58.098 58.200 0.180 0.000 1.084 462 S CB 1.354 64.735 63.200 0.302 0.000 1.021 462 S HN 0.852 nan 8.310 nan 0.000 0.566 463 G N 2.091 110.966 108.800 0.125 0.000 2.578 463 G HA2 -0.276 3.691 3.960 0.012 0.000 0.284 463 G HA3 -0.276 3.691 3.960 0.012 0.000 0.284 463 G C -0.450 174.621 174.900 0.285 0.000 1.283 463 G CA 0.098 45.277 45.100 0.132 0.000 0.944 463 G HN 0.671 nan 8.290 nan 0.000 0.558 464 H N 0.433 119.606 119.070 0.172 0.000 2.823 464 H HA 0.571 5.135 4.556 0.012 0.000 0.332 464 H C 0.332 175.826 175.328 0.277 0.000 0.980 464 H CA -0.111 56.078 56.048 0.234 0.000 1.286 464 H CB 0.703 30.545 29.762 0.134 0.000 1.541 464 H HN 1.010 nan 8.280 nan 0.000 0.521 465 G N 1.496 110.416 108.800 0.200 0.000 2.568 465 G HA2 0.451 4.418 3.960 0.012 0.000 0.313 465 G HA3 0.451 4.418 3.960 0.012 0.000 0.313 465 G C 0.602 175.362 174.900 -0.234 0.000 1.227 465 G CA -0.160 44.862 45.100 -0.128 0.000 0.979 465 G HN 0.682 nan 8.290 nan 0.000 0.486 466 A N 0.275 122.992 122.820 -0.172 0.000 2.019 466 A HA -0.093 4.234 4.320 0.012 0.000 0.219 466 A C 2.154 179.702 177.584 -0.059 0.000 1.164 466 A CA 1.863 53.840 52.037 -0.100 0.000 0.644 466 A CB -0.464 18.503 19.000 -0.055 0.000 0.805 466 A HN 0.539 nan 8.150 nan 0.000 0.449 467 N N -0.133 118.495 118.700 -0.119 0.000 2.149 467 N HA -0.169 4.579 4.740 0.012 0.000 0.188 467 N C 1.386 176.813 175.510 -0.138 0.000 1.019 467 N CA 1.867 54.829 53.050 -0.147 0.000 0.857 467 N CB -0.658 37.705 38.487 -0.206 0.000 0.997 467 N HN 0.789 nan 8.380 nan 0.000 0.426 468 H N 0.106 119.152 119.070 -0.041 0.000 2.389 468 H HA 0.003 4.566 4.556 0.012 0.000 0.299 468 H C 1.290 176.678 175.328 0.100 0.000 1.081 468 H CA 1.188 57.219 56.048 -0.028 0.000 1.345 468 H CB 0.124 29.865 29.762 -0.034 0.000 1.393 468 H HN 0.187 nan 8.280 nan 0.000 0.520 469 D N 0.431 120.977 120.400 0.243 0.000 2.117 469 D HA -0.128 4.520 4.640 0.012 0.000 0.197 469 D C 2.305 178.751 176.300 0.245 0.000 0.987 469 D CA 1.212 55.357 54.000 0.241 0.000 0.829 469 D CB -0.379 40.533 40.800 0.187 0.000 0.961 469 D HN 0.426 nan 8.370 nan 0.000 0.460 470 A N 0.727 123.641 122.820 0.157 0.000 1.933 470 A HA -0.113 4.214 4.320 0.012 0.000 0.218 470 A C 2.405 180.098 177.584 0.182 0.000 1.175 470 A CA 0.904 53.026 52.037 0.142 0.000 0.628 470 A CB -0.692 18.349 19.000 0.068 0.000 0.814 470 A HN 0.199 nan 8.150 nan 0.000 0.444 471 L N -2.143 119.174 121.223 0.157 0.000 2.156 471 L HA -0.120 4.227 4.340 0.012 0.000 0.208 471 L C 2.557 179.574 176.870 0.245 0.000 1.095 471 L CA 1.397 56.330 54.840 0.156 0.000 0.770 471 L CB -0.599 41.479 42.059 0.031 0.000 0.914 471 L HN 0.629 nan 8.230 nan 0.000 0.439 472 Y N 1.147 121.528 120.300 0.135 0.000 2.145 472 Y HA -0.313 4.242 4.550 0.009 0.000 0.286 472 Y C 2.789 178.767 175.900 0.131 0.000 1.145 472 Y CA 1.661 59.843 58.100 0.137 0.000 1.148 472 Y CB -0.165 38.377 38.460 0.137 0.000 0.981 472 Y HN -0.044 nan 8.280 nan 0.000 0.507 473 R N 0.061 120.681 120.500 0.200 0.000 2.081 473 R HA -0.225 4.122 4.340 0.012 0.000 0.235 473 R C 2.069 178.375 176.300 0.010 0.000 1.131 473 R CA 2.081 58.221 56.100 0.067 0.000 0.960 473 R CB -1.630 28.782 30.300 0.187 0.000 0.856 473 R HN 0.666 nan 8.270 nan 0.000 0.436 474 W N 0.486 121.746 121.300 -0.066 0.000 2.335 474 W HA -0.163 4.505 4.660 0.013 0.000 0.311 474 W C 1.691 178.122 176.519 -0.147 0.000 1.213 474 W CA 2.042 59.333 57.345 -0.089 0.000 1.274 474 W CB -0.244 29.167 29.460 -0.081 0.000 1.148 474 W HN 0.097 nan 8.180 nan 0.000 0.498 475 I N 0.845 121.417 120.570 0.004 0.000 2.142 475 I HA -0.357 3.820 4.170 0.012 0.000 0.240 475 I C 2.507 178.424 176.117 -0.335 0.000 1.078 475 I CA 1.467 62.619 61.300 -0.246 0.000 1.343 475 I CB -0.822 37.101 38.000 -0.129 0.000 1.046 475 I HN -0.122 nan 8.210 nan 0.000 0.405 476 K N 1.032 121.240 120.400 -0.319 0.000 2.127 476 K HA -0.176 4.152 4.320 0.012 0.000 0.208 476 K C 2.194 178.652 176.600 -0.238 0.000 1.047 476 K CA 1.931 58.048 56.287 -0.285 0.000 0.927 476 K CB -0.676 31.607 32.500 -0.362 0.000 0.716 476 K HN 0.382 nan 8.250 nan 0.000 0.450 477 S N 1.172 116.700 115.700 -0.286 0.000 2.357 477 S HA -0.098 4.380 4.470 0.012 0.000 0.221 477 S C 2.292 176.681 174.600 -0.352 0.000 1.031 477 S CA 1.314 59.350 58.200 -0.272 0.000 0.982 477 S CB -0.663 62.388 63.200 -0.249 0.000 0.853 477 S HN 0.309 nan 8.310 nan 0.000 0.458 478 V N 0.537 120.095 119.914 -0.595 0.000 2.719 478 V HA 0.107 4.234 4.120 0.012 0.000 0.252 478 V C 0.279 176.148 176.094 -0.375 0.000 1.065 478 V CA 1.716 63.651 62.300 -0.609 0.000 1.086 478 V CB -0.426 30.784 31.823 -1.021 0.000 0.700 478 V HN 0.374 nan 8.190 nan 0.000 0.467 479 D N 0.135 120.370 120.400 -0.275 0.000 2.364 479 D HA 0.382 5.029 4.640 0.012 0.000 0.251 479 D C -2.161 174.134 176.300 -0.007 0.000 1.282 479 D CA -1.733 52.213 54.000 -0.090 0.000 0.927 479 D CB 1.578 42.398 40.800 0.034 0.000 1.267 479 D HN 0.167 nan 8.370 nan 0.000 0.531 480 P HA -0.049 nan 4.420 nan 0.000 0.234 480 P C 1.146 178.467 177.300 0.035 0.000 1.167 480 P CA 0.502 63.597 63.100 -0.007 0.000 0.763 480 P CB 0.088 31.777 31.700 -0.019 0.000 0.835 481 S N -1.454 114.277 115.700 0.053 0.000 2.481 481 S HA 0.021 4.499 4.470 0.012 0.000 0.231 481 S C 0.972 175.604 174.600 0.053 0.000 0.996 481 S CA 0.145 58.379 58.200 0.057 0.000 0.942 481 S CB -0.336 62.891 63.200 0.046 0.000 0.768 481 S HN 0.093 nan 8.310 nan 0.000 0.520 482 R N 1.186 121.732 120.500 0.075 0.000 2.686 482 R HA 0.576 4.923 4.340 0.012 0.000 0.286 482 R C -3.160 173.192 176.300 0.087 0.000 0.969 482 R CA -2.290 53.819 56.100 0.014 0.000 0.898 482 R CB 1.547 31.734 30.300 -0.189 0.000 1.183 482 R HN 0.145 nan 8.270 nan 0.000 0.456 483 P HA 0.156 nan 4.420 nan 0.000 0.274 483 P C -0.906 176.506 177.300 0.187 0.000 1.246 483 P CA -0.472 62.695 63.100 0.112 0.000 0.795 483 P CB 0.741 32.494 31.700 0.087 0.000 1.006 484 V N 1.673 121.727 119.914 0.234 0.000 2.495 484 V HA 0.429 4.556 4.120 0.012 0.000 0.298 484 V C 0.220 176.505 176.094 0.319 0.000 1.031 484 V CA -0.343 62.147 62.300 0.317 0.000 0.871 484 V CB 1.132 33.126 31.823 0.285 0.000 0.988 484 V HN 0.623 nan 8.190 nan 0.000 0.432 485 Q N 3.573 123.538 119.800 0.276 0.000 2.496 485 Q HA 0.834 5.181 4.340 0.012 0.000 0.286 485 Q C -1.798 174.362 176.000 0.266 0.000 1.103 485 Q CA -0.963 54.963 55.803 0.205 0.000 0.813 485 Q CB 2.999 31.803 28.738 0.110 0.000 1.444 485 Q HN 0.638 nan 8.270 nan 0.000 0.443 486 Y N -0.153 120.156 120.300 0.014 0.000 2.273 486 Y HA 0.096 4.652 4.550 0.011 0.000 0.316 486 Y C -0.641 175.194 175.900 -0.108 0.000 1.294 486 Y CA -0.648 57.426 58.100 -0.042 0.000 1.198 486 Y CB 1.631 40.062 38.460 -0.050 0.000 1.299 486 Y HN 0.949 nan 8.280 nan 0.000 0.413 487 E N 3.481 123.192 120.200 -0.815 0.000 2.299 487 E HA 0.121 4.478 4.350 0.012 0.000 0.193 487 E C 0.752 176.920 176.600 -0.719 0.000 0.998 487 E CA 0.876 56.904 56.400 -0.620 0.000 0.851 487 E CB 0.213 29.675 29.700 -0.397 0.000 0.795 487 E HN 0.880 nan 8.360 nan 0.000 0.492 488 G N -0.192 107.812 108.800 -1.326 0.000 2.562 488 G HA2 0.226 4.194 3.960 0.012 0.000 0.233 488 G HA3 0.226 4.194 3.960 0.012 0.000 0.233 488 G C 0.799 175.561 174.900 -0.229 0.000 1.266 488 G CA 0.305 45.018 45.100 -0.644 0.000 0.852 488 G HN 0.357 nan 8.290 nan 0.000 0.581 489 G N -0.577 108.178 108.800 -0.075 0.000 2.160 489 G HA2 0.225 4.193 3.960 0.012 0.000 0.251 489 G HA3 0.225 4.193 3.960 0.012 0.000 0.251 489 G C 1.261 176.168 174.900 0.011 0.000 1.008 489 G CA 1.033 46.152 45.100 0.033 0.000 0.724 489 G HN 2.612 nan 8.290 nan 0.000 0.514 490 G N -1.617 107.180 108.800 -0.005 0.000 2.205 490 G HA2 0.423 4.391 3.960 0.012 0.000 0.180 490 G HA3 0.423 4.391 3.960 0.012 0.000 0.180 490 G C 1.138 176.157 174.900 0.198 0.000 1.004 490 G CA 1.247 46.410 45.100 0.105 0.000 0.670 490 G HN 2.317 nan 8.290 nan 0.000 0.496 491 A N -0.131 122.685 122.820 -0.007 0.000 3.420 491 A HA -0.123 4.204 4.320 0.012 0.000 0.269 491 A C 1.090 178.601 177.584 -0.121 0.000 1.122 491 A CA 2.655 54.623 52.037 -0.116 0.000 1.023 491 A CB -1.736 17.159 19.000 -0.175 0.000 1.099 491 A HN 2.077 nan 8.150 nan 0.000 0.860 492 D N -1.286 119.122 120.400 0.013 0.000 2.785 492 D HA 0.288 4.935 4.640 0.012 0.000 0.324 492 D C 0.390 176.681 176.300 -0.014 0.000 1.523 492 D CA 0.750 54.754 54.000 0.007 0.000 0.789 492 D CB -1.214 39.710 40.800 0.206 0.000 1.171 492 D HN 0.806 nan 8.370 nan 0.000 0.447 493 T N -2.214 112.270 114.554 -0.116 0.000 2.689 493 T HA 0.184 4.541 4.350 0.012 0.000 0.308 493 T C 1.641 176.200 174.700 -0.234 0.000 1.021 493 T CA 0.579 62.539 62.100 -0.233 0.000 0.973 493 T CB 0.755 69.253 68.868 -0.617 0.000 1.113 493 T HN 0.082 nan 8.240 nan 0.000 0.522 494 T N -2.601 111.800 114.554 -0.256 0.000 3.113 494 T HA 0.209 4.566 4.350 0.012 0.000 0.263 494 T C 1.535 175.975 174.700 -0.434 0.000 1.143 494 T CA 0.317 62.284 62.100 -0.221 0.000 1.090 494 T CB -0.492 68.335 68.868 -0.068 0.000 0.922 494 T HN 0.837 nan 8.240 nan 0.000 0.521 495 A N 0.495 123.080 122.820 -0.391 0.000 2.507 495 A HA 0.516 4.843 4.320 0.012 0.000 0.270 495 A C 0.788 178.185 177.584 -0.312 0.000 1.318 495 A CA -0.312 51.467 52.037 -0.430 0.000 0.924 495 A CB -0.033 18.978 19.000 0.019 0.000 1.061 495 A HN 0.426 nan 8.150 nan 0.000 0.516 496 T N -1.432 112.949 114.554 -0.287 0.000 2.952 496 T HA 0.352 4.709 4.350 0.012 0.000 0.305 496 T C -0.541 174.177 174.700 0.030 0.000 1.064 496 T CA -0.452 61.638 62.100 -0.017 0.000 1.008 496 T CB 1.224 70.082 68.868 -0.017 0.000 1.078 496 T HN 0.109 nan 8.240 nan 0.000 0.459 497 D N 2.902 123.407 120.400 0.176 0.000 2.348 497 D HA 0.242 4.890 4.640 0.012 0.000 0.211 497 D C 0.329 176.661 176.300 0.053 0.000 0.998 497 D CA 0.738 54.826 54.000 0.148 0.000 0.873 497 D CB 0.443 41.362 40.800 0.199 0.000 0.925 497 D HN 0.532 nan 8.370 nan 0.000 0.524 498 I N 0.790 121.370 120.570 0.017 0.000 2.582 498 I HA 0.245 4.423 4.170 0.012 0.000 0.292 498 I C -0.220 175.825 176.117 -0.121 0.000 1.066 498 I CA -0.865 60.408 61.300 -0.045 0.000 1.053 498 I CB 2.902 40.887 38.000 -0.025 0.000 1.241 498 I HN -0.342 nan 8.210 nan 0.000 0.421 499 I N 5.473 125.922 120.570 -0.202 0.000 2.436 499 I HA 0.063 4.240 4.170 0.012 0.000 0.289 499 I C 0.250 176.152 176.117 -0.358 0.000 1.083 499 I CA -0.020 61.058 61.300 -0.370 0.000 1.372 499 I CB 0.170 37.835 38.000 -0.558 0.000 1.408 499 I HN 0.700 nan 8.210 nan 0.000 0.516 500 C N 5.458 124.561 119.300 -0.329 0.000 3.163 500 C HA 0.454 4.921 4.460 0.012 0.000 0.228 500 C C -2.105 172.745 174.990 -0.234 0.000 1.593 500 C CA -2.301 56.579 59.018 -0.230 0.000 1.489 500 C CB -1.108 26.554 27.740 -0.131 0.000 2.294 500 C HN 0.419 nan 8.230 nan 0.000 0.508 501 P HA 0.245 nan 4.420 nan 0.000 0.271 501 P C -0.378 176.868 177.300 -0.089 0.000 1.233 501 P CA 0.525 63.533 63.100 -0.152 0.000 0.789 501 P CB 0.693 32.359 31.700 -0.056 0.000 0.951 502 M N 0.497 120.062 119.600 -0.060 0.000 2.243 502 M HA 0.438 4.925 4.480 0.012 0.000 0.324 502 M C -0.764 175.503 176.300 -0.055 0.000 1.031 502 M CA -0.662 54.482 55.300 -0.261 0.000 0.949 502 M CB 1.203 33.621 32.600 -0.302 0.000 1.615 502 M HN 0.350 nan 8.290 nan 0.000 0.430 503 Y N -0.156 120.310 120.300 0.275 0.000 4.409 503 Y HA -0.220 4.337 4.550 0.013 0.000 0.228 503 Y C 0.470 176.542 175.900 0.287 0.000 1.108 503 Y CA 0.354 58.619 58.100 0.275 0.000 1.955 503 Y CB -2.231 36.356 38.460 0.212 0.000 1.615 503 Y HN 0.973 nan 8.280 nan 0.000 0.665 504 A N 1.076 124.118 122.820 0.370 0.000 2.440 504 A HA 0.593 4.921 4.320 0.012 0.000 0.251 504 A C 0.697 178.510 177.584 0.381 0.000 1.089 504 A CA -0.430 51.829 52.037 0.370 0.000 0.779 504 A CB 0.413 19.676 19.000 0.438 0.000 1.022 504 A HN 0.439 nan 8.150 nan 0.000 0.492 505 R N 1.326 121.976 120.500 0.251 0.000 2.541 505 R HA 0.367 4.714 4.340 0.012 0.000 0.263 505 R C 1.015 177.287 176.300 -0.047 0.000 1.112 505 R CA -0.729 55.450 56.100 0.131 0.000 1.170 505 R CB 0.541 30.881 30.300 0.066 0.000 1.167 505 R HN 0.466 nan 8.270 nan 0.000 0.582 506 V N 0.473 120.188 119.914 -0.331 0.000 2.323 506 V HA -0.168 3.960 4.120 0.012 0.000 0.244 506 V C 0.799 176.773 176.094 -0.199 0.000 1.041 506 V CA 1.841 63.907 62.300 -0.390 0.000 1.025 506 V CB -0.238 31.223 31.823 -0.602 0.000 0.656 506 V HN 0.739 nan 8.190 nan 0.000 0.451 507 D N -1.499 118.819 120.400 -0.137 0.000 2.498 507 D HA 0.112 4.759 4.640 0.012 0.000 0.223 507 D C 0.794 177.077 176.300 -0.029 0.000 1.125 507 D CA 0.029 53.985 54.000 -0.074 0.000 0.835 507 D CB 0.885 41.648 40.800 -0.062 0.000 1.086 507 D HN 0.471 nan 8.370 nan 0.000 0.510 508 E N 1.922 122.108 120.200 -0.024 0.000 2.174 508 E HA 0.135 4.492 4.350 0.012 0.000 0.282 508 E C -0.887 175.711 176.600 -0.004 0.000 0.992 508 E CA -0.572 55.822 56.400 -0.009 0.000 0.803 508 E CB 1.067 30.761 29.700 -0.011 0.000 1.090 508 E HN -0.203 nan 8.360 nan 0.000 0.396 509 D N 3.526 123.924 120.400 -0.002 0.000 2.313 509 D HA 0.136 4.783 4.640 0.012 0.000 0.247 509 D C -0.593 175.594 176.300 -0.189 0.000 1.094 509 D CA 0.146 54.135 54.000 -0.019 0.000 0.925 509 D CB 1.167 42.029 40.800 0.103 0.000 1.188 509 D HN 0.407 nan 8.370 nan 0.000 0.430 510 Q N 1.336 120.895 119.800 -0.401 0.000 2.771 510 Q HA 0.250 4.598 4.340 0.012 0.000 0.247 510 Q C -2.209 173.136 176.000 -1.091 0.000 0.986 510 Q CA -1.532 53.817 55.803 -0.756 0.000 0.713 510 Q CB 2.214 30.470 28.738 -0.803 0.000 1.241 510 Q HN 0.137 nan 8.270 nan 0.000 0.488 511 P HA -0.022 nan 4.420 nan 0.000 0.228 511 P C -0.638 176.386 177.300 -0.460 0.000 1.748 511 P CA -0.015 62.681 63.100 -0.673 0.000 0.909 511 P CB -0.600 30.905 31.700 -0.325 0.000 1.882 512 F N 1.519 121.298 119.950 -0.285 0.000 2.595 512 F HA 0.104 4.638 4.527 0.012 0.000 0.359 512 F C -1.163 174.532 175.800 -0.174 0.000 1.147 512 F CA -2.100 55.791 58.000 -0.183 0.000 1.341 512 F CB -0.620 38.282 39.000 -0.163 0.000 1.104 512 F HN 0.018 nan 8.300 nan 0.000 0.603 513 P HA 0.128 nan 4.420 nan 0.000 0.271 513 P C 0.252 177.571 177.300 0.032 0.000 1.218 513 P CA 1.009 64.131 63.100 0.036 0.000 0.780 513 P CB 1.209 32.928 31.700 0.031 0.000 0.901 514 A N 2.441 125.273 122.820 0.022 0.000 1.691 514 A HA -0.254 4.073 4.320 0.012 0.000 0.227 514 A C 0.739 178.336 177.584 0.021 0.000 0.423 514 A CA 2.097 54.150 52.037 0.026 0.000 1.102 514 A CB -2.751 16.263 19.000 0.023 0.000 1.455 514 A HN 0.659 nan 8.150 nan 0.000 0.714 515 V N -2.570 117.350 119.914 0.010 0.000 2.326 515 V HA 0.578 4.705 4.120 0.012 0.000 0.254 515 V C -2.241 173.854 176.094 0.002 0.000 1.022 515 V CA -1.387 60.917 62.300 0.006 0.000 1.074 515 V CB 0.508 32.330 31.823 -0.003 0.000 1.305 515 V HN 0.535 nan 8.190 nan 0.000 0.506 516 P HA 0.241 nan 4.420 nan 0.000 0.269 516 P C -0.601 176.269 177.300 -0.717 0.000 1.215 516 P CA 0.074 62.809 63.100 -0.608 0.000 0.780 516 P CB 1.016 31.861 31.700 -1.425 0.000 0.898 517 K N 2.174 122.181 120.400 -0.655 0.000 2.484 517 K HA 0.205 4.533 4.320 0.012 0.000 0.226 517 K C -0.496 175.791 176.600 -0.521 0.000 1.031 517 K CA -0.284 55.805 56.287 -0.330 0.000 1.026 517 K CB 0.318 32.911 32.500 0.156 0.000 1.412 517 K HN 0.463 nan 8.250 nan 0.000 0.492 518 W N 1.343 122.308 121.300 -0.559 0.000 2.126 518 W HA 0.057 4.725 4.660 0.014 0.000 0.346 518 W C 1.327 177.845 176.519 -0.001 0.000 1.279 518 W CA -0.440 56.695 57.345 -0.350 0.000 1.259 518 W CB 0.429 29.534 29.460 -0.592 0.000 1.133 518 W HN 0.352 nan 8.180 nan 0.000 0.592 519 S N 3.239 119.092 115.700 0.254 0.000 2.573 519 S HA -0.105 4.372 4.470 0.012 0.000 0.297 519 S C 1.194 175.930 174.600 0.227 0.000 1.280 519 S CA -0.047 58.246 58.200 0.154 0.000 1.061 519 S CB 0.159 63.407 63.200 0.080 0.000 0.812 519 S HN 0.508 nan 8.310 nan 0.000 0.500 520 I N 2.017 122.688 120.570 0.168 0.000 2.361 520 I HA -0.123 4.054 4.170 0.012 0.000 0.251 520 I C 2.068 178.206 176.117 0.035 0.000 1.133 520 I CA 1.236 62.641 61.300 0.175 0.000 1.413 520 I CB -0.424 37.631 38.000 0.092 0.000 1.073 520 I HN 0.587 nan 8.210 nan 0.000 0.424 521 K N 1.557 121.875 120.400 -0.137 0.000 2.103 521 K HA -0.138 4.189 4.320 0.012 0.000 0.204 521 K C 2.276 178.857 176.600 -0.032 0.000 1.052 521 K CA 1.491 57.597 56.287 -0.301 0.000 0.945 521 K CB -0.131 32.094 32.500 -0.457 0.000 0.722 521 K HN 0.378 nan 8.250 nan 0.000 0.443 522 K N 0.242 120.656 120.400 0.025 0.000 2.062 522 K HA -0.178 4.149 4.320 0.012 0.000 0.205 522 K C 1.881 178.509 176.600 0.047 0.000 1.051 522 K CA 0.913 57.209 56.287 0.015 0.000 0.941 522 K CB -0.117 32.367 32.500 -0.027 0.000 0.719 522 K HN 0.179 nan 8.250 nan 0.000 0.440 523 W N 2.186 123.480 121.300 -0.011 0.000 2.304 523 W HA -0.242 4.424 4.660 0.009 0.000 0.315 523 W C 1.667 178.170 176.519 -0.028 0.000 1.233 523 W CA 1.379 58.731 57.345 0.011 0.000 1.261 523 W CB -0.745 28.799 29.460 0.140 0.000 1.150 523 W HN 0.130 nan 8.180 nan 0.000 0.494 524 L N 0.671 122.045 121.223 0.252 0.000 2.081 524 L HA -0.264 4.084 4.340 0.012 0.000 0.212 524 L C 2.195 179.129 176.870 0.107 0.000 1.080 524 L CA 2.090 57.013 54.840 0.139 0.000 0.754 524 L CB -1.066 41.063 42.059 0.117 0.000 0.893 524 L HN 0.024 nan 8.230 nan 0.000 0.433 525 S N -1.571 114.177 115.700 0.081 0.000 2.572 525 S HA 0.256 4.733 4.470 0.012 0.000 0.228 525 S C 0.561 175.150 174.600 -0.017 0.000 0.963 525 S CA -0.527 57.693 58.200 0.033 0.000 0.939 525 S CB -0.335 62.885 63.200 0.034 0.000 0.804 525 S HN 0.154 nan 8.310 nan 0.000 0.480 526 L N 2.418 123.620 121.223 -0.035 0.000 2.485 526 L HA 0.236 4.583 4.340 0.012 0.000 0.275 526 L C -2.230 174.612 176.870 -0.048 0.000 1.207 526 L CA -1.771 53.001 54.840 -0.112 0.000 0.855 526 L CB -0.299 41.657 42.059 -0.172 0.000 1.114 526 L HN 0.037 nan 8.230 nan 0.000 0.485 527 P HA -0.033 nan 4.420 nan 0.000 0.260 527 P C 0.786 178.082 177.300 -0.006 0.000 1.172 527 P CA 0.926 64.007 63.100 -0.030 0.000 0.760 527 P CB 0.495 32.172 31.700 -0.038 0.000 0.773 528 G N 1.484 110.287 108.800 0.005 0.000 2.205 528 G HA2 -0.266 3.701 3.960 0.012 0.000 0.261 528 G HA3 -0.266 3.701 3.960 0.012 0.000 0.261 528 G C 0.179 175.098 174.900 0.031 0.000 0.980 528 G CA 0.133 45.244 45.100 0.018 0.000 0.632 528 G HN 0.644 nan 8.290 nan 0.000 0.533 529 E N 1.037 121.260 120.200 0.038 0.000 2.259 529 E HA 0.632 4.989 4.350 0.012 0.000 0.281 529 E C 1.297 177.923 176.600 0.043 0.000 1.027 529 E CA 0.516 56.950 56.400 0.058 0.000 0.838 529 E CB 0.851 30.612 29.700 0.103 0.000 1.066 529 E HN 0.462 nan 8.360 nan 0.000 0.401 530 T N 0.655 115.230 114.554 0.035 0.000 3.041 530 T HA 0.326 4.683 4.350 0.012 0.000 0.276 530 T C 0.627 175.336 174.700 0.015 0.000 0.948 530 T CA -0.454 61.661 62.100 0.025 0.000 0.885 530 T CB 0.091 68.974 68.868 0.024 0.000 1.175 530 T HN 0.235 nan 8.240 nan 0.000 0.529 531 R N 2.428 122.931 120.500 0.005 0.000 2.774 531 R HA 0.400 4.748 4.340 0.012 0.000 0.269 531 R C -2.475 173.804 176.300 -0.036 0.000 1.068 531 R CA -1.562 54.529 56.100 -0.014 0.000 1.180 531 R CB -0.045 30.237 30.300 -0.030 0.000 1.077 531 R HN 0.242 nan 8.270 nan 0.000 0.513 532 P HA 0.118 nan 4.420 nan 0.000 0.279 532 P C -1.069 176.161 177.300 -0.117 0.000 1.252 532 P CA -0.226 62.833 63.100 -0.069 0.000 0.811 532 P CB 0.757 32.417 31.700 -0.066 0.000 1.035 533 L N 2.643 123.777 121.223 -0.148 0.000 2.319 533 L HA 0.524 4.871 4.340 0.012 0.000 0.281 533 L C -0.770 175.959 176.870 -0.235 0.000 1.005 533 L CA -0.549 54.165 54.840 -0.210 0.000 0.828 533 L CB 0.366 42.302 42.059 -0.205 0.000 1.227 533 L HN 0.231 nan 8.230 nan 0.000 0.415 534 I N 5.720 126.158 120.570 -0.219 0.000 2.468 534 I HA 0.259 4.437 4.170 0.012 0.000 0.285 534 I C -0.652 175.375 176.117 -0.150 0.000 1.039 534 I CA -0.633 60.525 61.300 -0.236 0.000 1.074 534 I CB 1.868 39.784 38.000 -0.140 0.000 1.228 534 I HN 0.449 nan 8.210 nan 0.000 0.436 535 L N 5.600 126.710 121.223 -0.189 0.000 2.499 535 L HA 0.010 4.358 4.340 0.012 0.000 0.273 535 L C 1.545 178.481 176.870 0.110 0.000 1.195 535 L CA -0.134 54.662 54.840 -0.074 0.000 0.882 535 L CB 0.572 42.577 42.059 -0.090 0.000 1.133 535 L HN 0.857 nan 8.230 nan 0.000 0.483 536 C N 0.251 119.588 119.300 0.062 0.000 2.446 536 C HA 0.110 4.577 4.460 0.012 0.000 0.279 536 C C 0.637 175.746 174.990 0.198 0.000 1.366 536 C CA -0.081 59.004 59.018 0.112 0.000 1.763 536 C CB -1.009 26.714 27.740 -0.028 0.000 1.929 536 C HN 0.831 nan 8.230 nan 0.000 0.509 537 E N -0.759 119.491 120.200 0.083 0.000 2.304 537 E HA 0.627 4.984 4.350 0.012 0.000 0.277 537 E C -1.286 175.255 176.600 -0.099 0.000 0.898 537 E CA -0.402 56.037 56.400 0.065 0.000 0.764 537 E CB 1.877 31.449 29.700 -0.214 0.000 1.216 537 E HN 0.698 nan 8.360 nan 0.000 0.419 538 Y N -0.998 119.308 120.300 0.010 0.000 2.670 538 Y HA 0.655 5.213 4.550 0.013 0.000 0.334 538 Y C -0.662 175.415 175.900 0.295 0.000 1.185 538 Y CA -1.024 57.095 58.100 0.031 0.000 1.053 538 Y CB 1.021 39.325 38.460 -0.260 0.000 1.298 538 Y HN 0.663 nan 8.280 nan 0.000 0.459 539 A N 1.911 124.779 122.820 0.080 0.000 2.303 539 A HA -0.263 4.064 4.320 0.012 0.000 0.286 539 A C -0.443 177.270 177.584 0.216 0.000 1.429 539 A CA 1.013 53.094 52.037 0.073 0.000 0.738 539 A CB -2.506 16.411 19.000 -0.137 0.000 1.149 539 A HN 1.034 nan 8.150 nan 0.000 0.364 540 H N 0.758 119.982 119.070 0.256 0.000 3.226 540 H HA 0.233 4.796 4.556 0.012 0.000 0.260 540 H C 1.273 176.661 175.328 0.100 0.000 0.967 540 H CA 0.807 57.006 56.048 0.252 0.000 1.435 540 H CB 0.466 30.254 29.762 0.043 0.000 1.533 540 H HN 0.796 nan 8.280 nan 0.000 0.525 541 A N 6.161 128.854 122.820 -0.211 0.000 2.346 541 A HA 0.022 4.349 4.320 0.012 0.000 0.242 541 A C 1.019 178.453 177.584 -0.251 0.000 1.323 541 A CA -0.310 51.598 52.037 -0.215 0.000 0.940 541 A CB -0.507 18.361 19.000 -0.221 0.000 0.943 541 A HN 0.773 nan 8.150 nan 0.000 0.501 542 M N 1.237 120.667 119.600 -0.283 0.000 2.220 542 M HA 0.413 4.900 4.480 0.012 0.000 0.343 542 M C 1.061 177.195 176.300 -0.277 0.000 1.470 542 M CA 1.200 56.345 55.300 -0.259 0.000 1.161 542 M CB -0.295 32.191 32.600 -0.190 0.000 1.737 542 M HN 0.737 nan 8.290 nan 0.000 0.464 543 G N 4.342 112.959 108.800 -0.306 0.000 2.547 543 G HA2 -0.341 3.627 3.960 0.012 0.000 0.271 543 G HA3 -0.341 3.627 3.960 0.012 0.000 0.271 543 G C -0.193 174.206 174.900 -0.836 0.000 1.209 543 G CA 0.039 44.771 45.100 -0.614 0.000 0.959 543 G HN 0.827 nan 8.290 nan 0.000 0.563 544 N N 1.237 119.296 118.700 -1.068 0.000 2.466 544 N HA 0.495 5.243 4.740 0.012 0.000 0.263 544 N C 0.010 175.282 175.510 -0.396 0.000 1.178 544 N CA 1.095 53.716 53.050 -0.714 0.000 0.983 544 N CB 0.431 38.515 38.487 -0.670 0.000 1.331 544 N HN 0.862 nan 8.380 nan 0.000 0.500 545 S N 2.204 117.757 115.700 -0.245 0.000 2.880 545 S HA 0.627 5.105 4.470 0.012 0.000 0.308 545 S C -0.182 174.362 174.600 -0.093 0.000 1.195 545 S CA -0.363 57.743 58.200 -0.157 0.000 0.866 545 S CB 0.155 63.275 63.200 -0.133 0.000 1.254 545 S HN 0.364 nan 8.310 nan 0.000 0.571 546 L N 0.036 121.237 121.223 -0.037 0.000 4.609 546 L HA -0.036 4.311 4.340 0.012 0.000 0.396 546 L C 0.492 177.416 176.870 0.090 0.000 1.028 546 L CA 0.855 55.702 54.840 0.013 0.000 1.232 546 L CB -1.696 40.287 42.059 -0.127 0.000 2.071 546 L HN 0.757 nan 8.230 nan 0.000 0.613 547 G N -0.856 107.967 108.800 0.037 0.000 2.398 547 G HA2 0.481 4.448 3.960 0.012 0.000 0.246 547 G HA3 0.481 4.448 3.960 0.012 0.000 0.246 547 G C 1.220 176.181 174.900 0.101 0.000 1.289 547 G CA 0.177 45.280 45.100 0.005 0.000 0.869 547 G HN 1.362 nan 8.290 nan 0.000 0.543 548 G N 1.487 110.343 108.800 0.094 0.000 2.157 548 G HA2 -0.322 3.645 3.960 0.012 0.000 0.248 548 G HA3 -0.322 3.645 3.960 0.012 0.000 0.248 548 G C 0.997 176.089 174.900 0.320 0.000 0.979 548 G CA 0.792 45.999 45.100 0.179 0.000 0.650 548 G HN 0.837 nan 8.290 nan 0.000 0.529 549 F N 1.815 121.896 119.950 0.218 0.000 2.126 549 F HA 0.108 4.643 4.527 0.013 0.000 0.299 549 F C 2.656 178.687 175.800 0.385 0.000 1.096 549 F CA 2.528 60.730 58.000 0.337 0.000 1.255 549 F CB -0.463 38.666 39.000 0.215 0.000 0.997 549 F HN 0.352 nan 8.300 nan 0.000 0.479 550 A N -0.221 122.767 122.820 0.281 0.000 2.024 550 A HA -0.257 4.070 4.320 0.012 0.000 0.220 550 A C 2.292 179.907 177.584 0.051 0.000 1.164 550 A CA 1.815 53.949 52.037 0.161 0.000 0.643 550 A CB -0.851 18.246 19.000 0.161 0.000 0.806 550 A HN 0.478 nan 8.150 nan 0.000 0.451 551 K N -1.686 118.724 120.400 0.017 0.000 2.097 551 K HA -0.176 4.151 4.320 0.012 0.000 0.206 551 K C 1.683 178.072 176.600 -0.353 0.000 1.049 551 K CA 1.590 57.801 56.287 -0.127 0.000 0.933 551 K CB -0.294 32.131 32.500 -0.125 0.000 0.717 551 K HN 0.591 nan 8.250 nan 0.000 0.442 552 Y N -0.868 119.176 120.300 -0.426 0.000 2.133 552 Y HA -0.222 4.334 4.550 0.012 0.000 0.287 552 Y C 1.985 177.006 175.900 -1.464 0.000 1.134 552 Y CA 1.580 59.083 58.100 -0.994 0.000 1.133 552 Y CB -0.375 37.461 38.460 -1.040 0.000 0.987 552 Y HN 0.153 nan 8.280 nan 0.000 0.502 553 W N 0.128 121.037 121.300 -0.653 0.000 2.350 553 W HA -0.216 4.452 4.660 0.013 0.000 0.289 553 W C 2.599 178.958 176.519 -0.267 0.000 1.215 553 W CA 1.472 58.560 57.345 -0.428 0.000 1.236 553 W CB -0.381 28.893 29.460 -0.310 0.000 1.130 553 W HN 0.084 nan 8.180 nan 0.000 0.541 554 Q N 0.873 120.603 119.800 -0.117 0.000 2.079 554 Q HA -0.140 4.208 4.340 0.012 0.000 0.200 554 Q C 2.175 178.127 176.000 -0.081 0.000 0.974 554 Q CA 2.088 57.857 55.803 -0.057 0.000 0.840 554 Q CB -0.721 27.993 28.738 -0.039 0.000 0.898 554 Q HN 0.254 nan 8.270 nan 0.000 0.430 555 A N -0.108 122.576 122.820 -0.228 0.000 1.898 555 A HA -0.094 4.234 4.320 0.012 0.000 0.216 555 A C 2.096 179.672 177.584 -0.014 0.000 1.181 555 A CA 1.093 53.035 52.037 -0.158 0.000 0.620 555 A CB -1.035 17.739 19.000 -0.377 0.000 0.819 555 A HN 0.461 nan 8.150 nan 0.000 0.442 556 F N -0.138 119.654 119.950 -0.264 0.000 2.171 556 F HA -0.204 4.330 4.527 0.012 0.000 0.300 556 F C 2.706 178.417 175.800 -0.148 0.000 1.090 556 F CA 1.122 58.934 58.000 -0.313 0.000 1.293 556 F CB -0.148 38.454 39.000 -0.663 0.000 1.013 556 F HN 0.169 nan 8.300 nan 0.000 0.486 557 R N 0.053 120.614 120.500 0.101 0.000 2.153 557 R HA -0.136 4.211 4.340 0.012 0.000 0.218 557 R C 2.034 178.371 176.300 0.062 0.000 1.072 557 R CA 0.987 57.127 56.100 0.068 0.000 0.990 557 R CB -0.453 29.879 30.300 0.053 0.000 0.889 557 R HN 0.386 nan 8.270 nan 0.000 0.452 558 Q N 0.100 119.963 119.800 0.105 0.000 2.137 558 Q HA -0.056 4.291 4.340 0.012 0.000 0.198 558 Q C -0.415 175.623 176.000 0.063 0.000 0.960 558 Q CA 0.960 56.815 55.803 0.088 0.000 0.847 558 Q CB 0.346 29.149 28.738 0.108 0.000 0.915 558 Q HN 0.201 nan 8.270 nan 0.000 0.448 559 Y N 0.066 120.352 120.300 -0.024 0.000 2.335 559 Y HA 0.278 4.835 4.550 0.011 0.000 0.339 559 Y C -1.772 174.106 175.900 -0.037 0.000 0.987 559 Y CA -2.863 55.222 58.100 -0.025 0.000 1.140 559 Y CB 1.460 39.911 38.460 -0.015 0.000 1.173 559 Y HN 0.101 nan 8.280 nan 0.000 0.486 560 P HA -0.166 nan 4.420 nan 0.000 0.216 560 P C 0.968 178.274 177.300 0.010 0.000 1.153 560 P CA 1.899 65.005 63.100 0.011 0.000 0.858 560 P CB 0.303 31.995 31.700 -0.013 0.000 0.789 561 R N -1.277 119.250 120.500 0.045 0.000 2.313 561 R HA 0.122 4.470 4.340 0.012 0.000 0.199 561 R C 0.436 176.716 176.300 -0.035 0.000 0.958 561 R CA 0.109 56.212 56.100 0.006 0.000 1.047 561 R CB -0.382 29.930 30.300 0.019 0.000 0.955 561 R HN 0.239 nan 8.270 nan 0.000 0.481 562 L N 2.116 123.334 121.223 -0.008 0.000 2.302 562 L HA 0.145 4.493 4.340 0.012 0.000 0.285 562 L C 0.511 177.228 176.870 -0.255 0.000 1.090 562 L CA 0.046 54.831 54.840 -0.090 0.000 0.866 562 L CB 1.161 43.245 42.059 0.040 0.000 1.244 562 L HN 0.102 nan 8.230 nan 0.000 0.435 563 Q N 2.629 122.203 119.800 -0.377 0.000 2.222 563 Q HA 0.314 4.661 4.340 0.012 0.000 0.206 563 Q C 0.904 176.451 176.000 -0.755 0.000 0.877 563 Q CA 0.140 55.676 55.803 -0.446 0.000 0.958 563 Q CB 0.827 29.405 28.738 -0.267 0.000 1.075 563 Q HN 0.917 nan 8.270 nan 0.000 0.483 564 G N -0.411 107.508 108.800 -1.470 0.000 2.428 564 G HA2 0.157 4.124 3.960 0.012 0.000 0.202 564 G HA3 0.157 4.124 3.960 0.012 0.000 0.202 564 G C -0.353 173.697 174.900 -1.417 0.000 1.247 564 G CA -0.774 43.172 45.100 -1.923 0.000 1.020 564 G HN 0.578 nan 8.290 nan 0.000 0.529 565 G N -2.279 105.982 108.800 -0.898 0.000 2.349 565 G HA2 0.648 4.615 3.960 0.012 0.000 0.294 565 G HA3 0.648 4.615 3.960 0.012 0.000 0.294 565 G C -1.883 172.954 174.900 -0.104 0.000 1.380 565 G CA -0.326 44.483 45.100 -0.484 0.000 0.811 565 G HN 1.153 nan 8.290 nan 0.000 0.519 566 F N 0.721 120.905 119.950 0.389 0.000 2.445 566 F HA 0.506 5.040 4.527 0.011 0.000 0.348 566 F C 0.742 176.843 175.800 0.502 0.000 1.125 566 F CA -0.738 57.527 58.000 0.441 0.000 0.983 566 F CB 2.084 41.238 39.000 0.258 0.000 1.198 566 F HN 0.258 nan 8.300 nan 0.000 0.436 567 V N 3.346 123.597 119.914 0.561 0.000 2.872 567 V HA -0.156 3.972 4.120 0.012 0.000 0.307 567 V C -0.190 176.068 176.094 0.273 0.000 1.072 567 V CA -0.209 62.218 62.300 0.212 0.000 1.148 567 V CB 0.718 32.653 31.823 0.185 0.000 0.954 567 V HN 0.773 nan 8.190 nan 0.000 0.490 568 W N 6.649 128.043 121.300 0.158 0.000 2.282 568 W HA 0.460 5.127 4.660 0.012 0.000 0.322 568 W C -0.873 175.660 176.519 0.024 0.000 1.011 568 W CA -0.647 56.816 57.345 0.197 0.000 1.392 568 W CB 1.188 30.937 29.460 0.481 0.000 1.215 568 W HN 0.934 nan 8.180 nan 0.000 0.394 569 D N 2.664 122.720 120.400 -0.573 0.000 2.921 569 D HA 0.096 4.743 4.640 0.012 0.000 0.329 569 D C 0.614 176.680 176.300 -0.391 0.000 1.293 569 D CA -0.553 53.020 54.000 -0.711 0.000 0.964 569 D CB 0.167 40.028 40.800 -1.564 0.000 1.435 569 D HN 0.379 nan 8.370 nan 0.000 0.548 570 W N 0.412 121.392 121.300 -0.534 0.000 2.413 570 W HA 0.186 4.853 4.660 0.012 0.000 0.315 570 W C -0.204 176.081 176.519 -0.391 0.000 1.186 570 W CA 0.903 57.987 57.345 -0.434 0.000 1.326 570 W CB 0.320 29.550 29.460 -0.384 0.000 1.153 570 W HN 0.143 nan 8.180 nan 0.000 0.489 571 V N 3.070 122.727 119.914 -0.428 0.000 2.540 571 V HA 0.225 4.352 4.120 0.012 0.000 0.302 571 V C -0.788 175.093 176.094 -0.355 0.000 1.035 571 V CA -0.739 61.272 62.300 -0.482 0.000 0.873 571 V CB 1.327 32.973 31.823 -0.295 0.000 0.992 571 V HN -0.090 nan 8.190 nan 0.000 0.428 572 D N 4.057 124.236 120.400 -0.368 0.000 2.506 572 D HA 0.055 4.702 4.640 0.012 0.000 0.234 572 D C 0.463 176.603 176.300 -0.266 0.000 1.143 572 D CA 0.691 54.544 54.000 -0.245 0.000 0.871 572 D CB 0.776 41.520 40.800 -0.092 0.000 1.190 572 D HN 0.620 nan 8.370 nan 0.000 0.459 573 Q N 0.886 120.473 119.800 -0.355 0.000 2.938 573 Q HA 0.118 4.465 4.340 0.012 0.000 0.343 573 Q C -0.097 175.841 176.000 -0.104 0.000 1.185 573 Q CA -0.314 55.062 55.803 -0.711 0.000 0.939 573 Q CB -0.003 28.398 28.738 -0.563 0.000 1.480 573 Q HN 0.354 nan 8.270 nan 0.000 0.442 574 S N -0.358 115.408 115.700 0.110 0.000 2.610 574 S HA 0.590 5.067 4.470 0.012 0.000 0.273 574 S C -0.099 174.691 174.600 0.317 0.000 1.274 574 S CA -0.761 57.626 58.200 0.312 0.000 1.023 574 S CB 1.400 64.760 63.200 0.267 0.000 0.962 574 S HN 0.307 nan 8.310 nan 0.000 0.523 575 L N 1.892 123.213 121.223 0.164 0.000 2.346 575 L HA 0.504 4.851 4.340 0.012 0.000 0.274 575 L C -0.486 176.285 176.870 -0.164 0.000 1.007 575 L CA -1.190 53.619 54.840 -0.052 0.000 0.818 575 L CB 1.464 43.403 42.059 -0.200 0.000 1.284 575 L HN 0.551 nan 8.230 nan 0.000 0.424 576 I N 2.527 122.943 120.570 -0.257 0.000 2.474 576 I HA 0.259 4.436 4.170 0.012 0.000 0.287 576 I C 0.198 175.911 176.117 -0.674 0.000 1.048 576 I CA -0.018 60.984 61.300 -0.497 0.000 1.383 576 I CB 0.982 38.678 38.000 -0.508 0.000 1.412 576 I HN 0.582 nan 8.210 nan 0.000 0.531 577 K N 5.179 124.893 120.400 -1.142 0.000 2.350 577 K HA 0.580 4.907 4.320 0.012 0.000 0.241 577 K C -1.567 174.217 176.600 -1.359 0.000 0.994 577 K CA -0.679 54.877 56.287 -1.217 0.000 0.839 577 K CB 2.269 33.853 32.500 -1.526 0.000 1.244 577 K HN 0.264 nan 8.250 nan 0.000 0.443 578 Y N 0.924 120.979 120.300 -0.408 0.000 2.391 578 Y HA 0.125 4.682 4.550 0.012 0.000 0.341 578 Y C 0.016 175.986 175.900 0.117 0.000 0.965 578 Y CA -1.125 56.906 58.100 -0.115 0.000 1.067 578 Y CB 1.367 39.780 38.460 -0.080 0.000 1.199 578 Y HN 0.694 nan 8.280 nan 0.000 0.450 579 D N 0.416 121.057 120.400 0.402 0.000 2.414 579 D HA 0.005 4.652 4.640 0.012 0.000 0.251 579 D C 1.048 177.459 176.300 0.185 0.000 1.252 579 D CA -0.195 53.999 54.000 0.324 0.000 0.999 579 D CB 0.765 41.710 40.800 0.242 0.000 1.093 579 D HN 0.410 nan 8.370 nan 0.000 0.515 580 E N -0.381 119.889 120.200 0.117 0.000 2.086 580 E HA -0.210 4.148 4.350 0.012 0.000 0.200 580 E C 1.406 178.045 176.600 0.065 0.000 1.012 580 E CA 1.087 57.530 56.400 0.072 0.000 0.812 580 E CB -0.372 29.352 29.700 0.040 0.000 0.743 580 E HN 0.440 nan 8.360 nan 0.000 0.453 581 N N -0.436 118.308 118.700 0.073 0.000 2.573 581 N HA -0.076 4.672 4.740 0.012 0.000 0.187 581 N C 0.973 176.530 175.510 0.078 0.000 1.107 581 N CA 1.128 54.217 53.050 0.064 0.000 0.918 581 N CB 0.245 38.771 38.487 0.065 0.000 0.966 581 N HN 0.321 nan 8.380 nan 0.000 0.448 582 G N 0.402 109.272 108.800 0.116 0.000 2.136 582 G HA2 -0.236 3.731 3.960 0.012 0.000 0.242 582 G HA3 -0.236 3.731 3.960 0.012 0.000 0.242 582 G C -0.277 174.762 174.900 0.230 0.000 0.989 582 G CA -0.340 44.839 45.100 0.133 0.000 0.682 582 G HN 0.302 nan 8.290 nan 0.000 0.522 583 N N 1.460 120.300 118.700 0.234 0.000 2.473 583 N HA 0.488 5.235 4.740 0.012 0.000 0.291 583 N C -2.685 172.963 175.510 0.231 0.000 1.083 583 N CA -1.301 51.885 53.050 0.227 0.000 0.951 583 N CB 2.096 40.682 38.487 0.164 0.000 1.164 583 N HN 0.144 nan 8.380 nan 0.000 0.480 584 P HA 0.220 nan 4.420 nan 0.000 0.275 584 P C -0.577 176.650 177.300 -0.123 0.000 1.228 584 P CA -0.187 62.734 63.100 -0.297 0.000 0.786 584 P CB 0.554 32.109 31.700 -0.240 0.000 0.927 585 W N -0.433 120.624 121.300 -0.405 0.000 3.372 585 W HA 0.333 5.000 4.660 0.012 0.000 0.315 585 W C -1.436 174.889 176.519 -0.324 0.000 1.223 585 W CA -0.987 56.112 57.345 -0.409 0.000 1.202 585 W CB 0.230 29.150 29.460 -0.901 0.000 1.367 585 W HN 0.116 nan 8.180 nan 0.000 0.531 586 S N 2.030 117.768 115.700 0.064 0.000 2.481 586 S HA 0.460 4.937 4.470 0.012 0.000 0.282 586 S C 0.381 175.120 174.600 0.232 0.000 1.243 586 S CA 0.023 58.276 58.200 0.088 0.000 1.078 586 S CB 0.468 63.785 63.200 0.195 0.000 0.916 586 S HN 0.592 nan 8.310 nan 0.000 0.495 587 A N 3.200 126.011 122.820 -0.015 0.000 2.294 587 A HA 0.861 5.188 4.320 0.012 0.000 0.330 587 A C -0.512 177.323 177.584 0.418 0.000 1.133 587 A CA -0.730 51.363 52.037 0.094 0.000 0.836 587 A CB 0.602 19.352 19.000 -0.418 0.000 1.190 587 A HN 0.833 nan 8.150 nan 0.000 0.492 588 Y N -1.065 119.559 120.300 0.540 0.000 2.857 588 Y HA 0.753 5.311 4.550 0.012 0.000 0.318 588 Y C 0.621 176.897 175.900 0.627 0.000 1.313 588 Y CA -1.447 56.974 58.100 0.536 0.000 1.117 588 Y CB -0.074 38.526 38.460 0.233 0.000 1.344 588 Y HN 0.956 nan 8.280 nan 0.000 0.525 589 G N 0.006 109.199 108.800 0.655 0.000 2.257 589 G HA2 0.353 4.321 3.960 0.012 0.000 0.235 589 G HA3 0.353 4.321 3.960 0.012 0.000 0.235 589 G C 1.005 176.232 174.900 0.546 0.000 1.225 589 G CA 0.545 45.969 45.100 0.540 0.000 0.878 589 G HN 2.014 nan 8.290 nan 0.000 0.505 590 G N 2.184 111.273 108.800 0.481 0.000 2.304 590 G HA2 -0.311 3.656 3.960 0.012 0.000 0.252 590 G HA3 -0.311 3.656 3.960 0.012 0.000 0.252 590 G C 0.983 176.083 174.900 0.333 0.000 1.014 590 G CA 0.755 46.074 45.100 0.365 0.000 0.619 590 G HN 0.665 nan 8.290 nan 0.000 0.525 591 D N -0.060 120.547 120.400 0.345 0.000 2.384 591 D HA 0.053 4.701 4.640 0.012 0.000 0.222 591 D C 1.360 177.533 176.300 -0.212 0.000 0.976 591 D CA 0.687 54.726 54.000 0.065 0.000 0.915 591 D CB -0.227 40.567 40.800 -0.009 0.000 0.896 591 D HN 0.510 nan 8.370 nan 0.000 0.523 592 F N -0.929 119.151 119.950 0.216 0.000 2.654 592 F HA 0.313 4.848 4.527 0.012 0.000 0.303 592 F C 1.806 177.691 175.800 0.143 0.000 1.099 592 F CA -0.111 57.972 58.000 0.139 0.000 1.270 592 F CB 0.805 39.874 39.000 0.115 0.000 1.024 592 F HN -0.040 nan 8.300 nan 0.000 0.548 593 G N 0.393 109.350 108.800 0.262 0.000 2.176 593 G HA2 -0.259 3.708 3.960 0.012 0.000 0.253 593 G HA3 -0.259 3.708 3.960 0.012 0.000 0.253 593 G C -0.159 174.870 174.900 0.216 0.000 0.979 593 G CA 0.057 45.276 45.100 0.199 0.000 0.641 593 G HN 0.420 nan 8.290 nan 0.000 0.530 594 D N 0.476 121.051 120.400 0.292 0.000 2.425 594 D HA 0.496 5.143 4.640 0.012 0.000 0.247 594 D C 0.121 176.538 176.300 0.195 0.000 1.147 594 D CA 0.988 55.152 54.000 0.272 0.000 0.879 594 D CB 1.673 42.706 40.800 0.389 0.000 1.179 594 D HN 0.560 nan 8.370 nan 0.000 0.456 595 T N 0.910 115.547 114.554 0.138 0.000 3.087 595 T HA 0.365 4.723 4.350 0.012 0.000 0.351 595 T C -2.828 171.902 174.700 0.051 0.000 1.520 595 T CA -1.101 61.050 62.100 0.085 0.000 1.111 595 T CB 0.917 69.837 68.868 0.088 0.000 1.353 595 T HN 0.266 nan 8.240 nan 0.000 0.481 596 P HA 0.456 nan 4.420 nan 0.000 0.270 596 P C -0.881 176.399 177.300 -0.034 0.000 1.227 596 P CA -0.127 62.963 63.100 -0.016 0.000 0.788 596 P CB 0.193 31.856 31.700 -0.061 0.000 0.926 597 N N -1.927 116.744 118.700 -0.048 0.000 2.708 597 N HA 0.231 4.979 4.740 0.012 0.000 0.257 597 N C -1.096 174.341 175.510 -0.121 0.000 1.373 597 N CA -0.762 52.231 53.050 -0.094 0.000 0.843 597 N CB 0.778 39.305 38.487 0.066 0.000 1.503 597 N HN 0.109 nan 8.380 nan 0.000 0.504 598 D N -0.019 120.232 120.400 -0.248 0.000 2.491 598 D HA 0.086 4.733 4.640 0.012 0.000 0.228 598 D C 0.622 177.106 176.300 0.306 0.000 1.183 598 D CA -0.052 53.896 54.000 -0.087 0.000 0.827 598 D CB 0.139 40.746 40.800 -0.322 0.000 0.989 598 D HN 0.712 nan 8.370 nan 0.000 0.494 599 R N 1.065 121.759 120.500 0.323 0.000 3.682 599 R HA -0.326 4.021 4.340 0.012 0.000 0.519 599 R C 1.127 177.559 176.300 0.220 0.000 0.241 599 R CA 1.654 57.986 56.100 0.388 0.000 1.619 599 R CB -1.581 28.872 30.300 0.256 0.000 0.923 599 R HN 0.136 nan 8.270 nan 0.000 0.598 600 Q N 1.385 121.005 119.800 -0.300 0.000 2.482 600 Q HA -0.025 4.322 4.340 0.012 0.000 0.209 600 Q C 1.602 177.351 176.000 -0.418 0.000 0.961 600 Q CA 1.369 56.751 55.803 -0.702 0.000 0.945 600 Q CB -0.027 28.011 28.738 -1.167 0.000 1.012 600 Q HN 0.599 nan 8.270 nan 0.000 0.515 601 F N 1.550 121.440 119.950 -0.100 0.000 2.583 601 F HA -0.105 4.430 4.527 0.012 0.000 0.297 601 F C 2.127 177.863 175.800 -0.107 0.000 1.131 601 F CA 0.973 58.968 58.000 -0.008 0.000 1.467 601 F CB -0.115 38.949 39.000 0.106 0.000 1.097 601 F HN 0.433 nan 8.300 nan 0.000 0.586 602 C N -1.496 117.516 119.300 -0.479 0.000 2.618 602 C HA 0.251 4.718 4.460 0.012 0.000 0.264 602 C C 1.018 175.803 174.990 -0.342 0.000 1.334 602 C CA -0.525 58.061 59.018 -0.720 0.000 1.731 602 C CB -1.597 25.174 27.740 -1.615 0.000 1.852 602 C HN 0.145 nan 8.230 nan 0.000 0.566 603 M N 2.707 122.144 119.600 -0.272 0.000 2.047 603 M HA 0.284 4.772 4.480 0.012 0.000 0.342 603 M C -0.377 175.801 176.300 -0.202 0.000 1.058 603 M CA 0.405 55.586 55.300 -0.198 0.000 0.991 603 M CB 0.126 32.644 32.600 -0.137 0.000 1.474 603 M HN 0.388 nan 8.290 nan 0.000 0.419 604 N N 1.082 119.657 118.700 -0.208 0.000 2.217 604 N HA 0.175 4.922 4.740 0.012 0.000 0.239 604 N C 0.277 175.566 175.510 -0.368 0.000 1.330 604 N CA -0.544 52.346 53.050 -0.266 0.000 0.838 604 N CB 1.262 39.665 38.487 -0.140 0.000 1.287 604 N HN 0.683 nan 8.380 nan 0.000 0.498 605 G N 0.084 108.630 108.800 -0.422 0.000 2.528 605 G HA2 0.385 4.353 3.960 0.012 0.000 0.289 605 G HA3 0.385 4.353 3.960 0.012 0.000 0.289 605 G C 0.737 175.201 174.900 -0.727 0.000 1.192 605 G CA -0.540 44.217 45.100 -0.572 0.000 0.921 605 G HN 0.075 nan 8.290 nan 0.000 0.512 606 L N -0.354 120.445 121.223 -0.705 0.000 2.395 606 L HA 0.132 4.479 4.340 0.012 0.000 0.218 606 L C 0.889 177.188 176.870 -0.951 0.000 1.130 606 L CA 0.323 54.759 54.840 -0.673 0.000 0.826 606 L CB -0.538 41.256 42.059 -0.443 0.000 0.941 606 L HN 0.373 nan 8.230 nan 0.000 0.451 607 V N -5.179 114.026 119.914 -1.181 0.000 3.040 607 V HA 0.495 4.622 4.120 0.012 0.000 0.312 607 V C -0.240 175.288 176.094 -0.944 0.000 1.115 607 V CA -1.324 60.370 62.300 -1.011 0.000 0.998 607 V CB 1.577 32.869 31.823 -0.885 0.000 1.042 607 V HN -0.143 nan 8.190 nan 0.000 0.433 608 F N 1.303 121.016 119.950 -0.395 0.000 2.440 608 F HA 0.561 5.096 4.527 0.013 0.000 0.323 608 F C 1.902 177.597 175.800 -0.175 0.000 1.192 608 F CA 0.545 58.474 58.000 -0.119 0.000 1.252 608 F CB 0.849 39.866 39.000 0.029 0.000 1.214 608 F HN 0.773 nan 8.300 nan 0.000 0.578 609 A N 0.766 123.651 122.820 0.109 0.000 2.024 609 A HA -0.207 4.121 4.320 0.012 0.000 0.220 609 A C 1.589 179.151 177.584 -0.037 0.000 1.164 609 A CA 1.777 53.842 52.037 0.045 0.000 0.643 609 A CB -0.962 18.119 19.000 0.135 0.000 0.806 609 A HN 0.791 nan 8.150 nan 0.000 0.451 610 D N -2.737 117.658 120.400 -0.008 0.000 2.319 610 D HA 0.140 4.787 4.640 0.012 0.000 0.230 610 D C 0.641 176.924 176.300 -0.028 0.000 1.094 610 D CA -0.089 53.878 54.000 -0.055 0.000 0.856 610 D CB -0.136 40.636 40.800 -0.046 0.000 0.915 610 D HN 0.187 nan 8.370 nan 0.000 0.517 611 R N -1.898 118.578 120.500 -0.040 0.000 3.892 611 R HA -0.128 4.219 4.340 0.012 0.000 0.441 611 R C -0.290 175.997 176.300 -0.021 0.000 1.052 611 R CA 1.132 57.196 56.100 -0.060 0.000 1.190 611 R CB -3.208 27.098 30.300 0.009 0.000 1.808 611 R HN 0.253 nan 8.270 nan 0.000 0.538 612 T N 2.399 116.988 114.554 0.059 0.000 2.870 612 T HA 0.346 4.703 4.350 0.012 0.000 0.300 612 T C -2.285 172.507 174.700 0.153 0.000 0.989 612 T CA -0.851 61.317 62.100 0.114 0.000 1.139 612 T CB 1.069 70.027 68.868 0.149 0.000 0.920 612 T HN -0.101 nan 8.240 nan 0.000 0.537 613 P HA 0.163 nan 4.420 nan 0.000 0.272 613 P C -0.128 177.201 177.300 0.049 0.000 1.223 613 P CA -0.172 62.910 63.100 -0.031 0.000 0.784 613 P CB 0.428 32.119 31.700 -0.016 0.000 0.923 614 H N 2.461 121.340 119.070 -0.318 0.000 2.508 614 H HA 0.143 4.706 4.556 0.012 0.000 0.358 614 H C -1.241 173.967 175.328 -0.201 0.000 1.212 614 H CA -2.017 53.796 56.048 -0.392 0.000 1.356 614 H CB 0.517 29.981 29.762 -0.497 0.000 1.525 614 H HN 0.336 nan 8.280 nan 0.000 0.578 615 P HA -0.131 nan 4.420 nan 0.000 0.220 615 P C 1.073 178.360 177.300 -0.021 0.000 1.148 615 P CA 1.201 64.275 63.100 -0.042 0.000 0.803 615 P CB 0.012 31.680 31.700 -0.053 0.000 0.782 616 A N -0.436 122.373 122.820 -0.019 0.000 2.070 616 A HA -0.170 4.157 4.320 0.012 0.000 0.220 616 A C 2.064 179.590 177.584 -0.097 0.000 1.159 616 A CA 1.102 53.097 52.037 -0.071 0.000 0.656 616 A CB -1.563 17.372 19.000 -0.108 0.000 0.800 616 A HN 0.154 nan 8.150 nan 0.000 0.453 617 L N -0.467 120.716 121.223 -0.066 0.000 2.013 617 L HA -0.164 4.184 4.340 0.012 0.000 0.212 617 L C 2.567 179.473 176.870 0.060 0.000 1.073 617 L CA 2.833 57.668 54.840 -0.008 0.000 0.753 617 L CB -1.077 40.966 42.059 -0.026 0.000 0.890 617 L HN 0.384 nan 8.230 nan 0.000 0.432 618 T N -1.718 112.878 114.554 0.071 0.000 2.788 618 T HA -0.213 4.144 4.350 0.012 0.000 0.268 618 T C 1.815 176.626 174.700 0.185 0.000 1.044 618 T CA 1.483 63.685 62.100 0.170 0.000 1.139 618 T CB -0.181 68.766 68.868 0.131 0.000 0.867 618 T HN 0.466 nan 8.240 nan 0.000 0.454 619 E N 0.901 121.149 120.200 0.080 0.000 2.051 619 E HA 0.007 4.364 4.350 0.012 0.000 0.192 619 E C 2.223 178.820 176.600 -0.005 0.000 0.991 619 E CA 1.536 57.979 56.400 0.073 0.000 0.799 619 E CB -0.727 28.973 29.700 -0.001 0.000 0.748 619 E HN 0.546 nan 8.360 nan 0.000 0.449 620 A N 0.853 123.554 122.820 -0.200 0.000 1.902 620 A HA -0.242 4.086 4.320 0.012 0.000 0.217 620 A C 2.163 179.647 177.584 -0.167 0.000 1.181 620 A CA 2.008 53.873 52.037 -0.286 0.000 0.623 620 A CB -0.653 18.174 19.000 -0.289 0.000 0.818 620 A HN 0.275 nan 8.150 nan 0.000 0.443 621 K N -1.195 119.186 120.400 -0.031 0.000 2.074 621 K HA -0.306 4.021 4.320 0.012 0.000 0.209 621 K C 2.040 178.549 176.600 -0.153 0.000 1.048 621 K CA 2.121 58.406 56.287 -0.004 0.000 0.926 621 K CB -0.339 32.303 32.500 0.237 0.000 0.713 621 K HN 0.666 nan 8.250 nan 0.000 0.444 622 H N 0.215 119.113 119.070 -0.288 0.000 2.326 622 H HA -0.018 4.545 4.556 0.013 0.000 0.301 622 H C 1.984 177.036 175.328 -0.459 0.000 1.081 622 H CA 1.778 57.474 56.048 -0.587 0.000 1.334 622 H CB 0.061 29.498 29.762 -0.541 0.000 1.385 622 H HN 0.229 nan 8.280 nan 0.000 0.504 623 Q N 0.349 119.876 119.800 -0.455 0.000 2.167 623 Q HA -0.104 4.243 4.340 0.012 0.000 0.202 623 Q C 1.721 177.170 176.000 -0.918 0.000 0.970 623 Q CA 1.284 56.732 55.803 -0.592 0.000 0.855 623 Q CB -0.057 28.487 28.738 -0.322 0.000 0.911 623 Q HN 0.716 nan 8.270 nan 0.000 0.438 624 Q N 0.323 119.535 119.800 -0.980 0.000 2.373 624 Q HA 0.047 4.394 4.340 0.012 0.000 0.206 624 Q C -0.014 175.451 176.000 -0.892 0.000 0.942 624 Q CA -0.186 54.910 55.803 -1.178 0.000 0.953 624 Q CB 0.180 28.261 28.738 -1.095 0.000 1.022 624 Q HN 0.385 nan 8.270 nan 0.000 0.502 625 Q N -0.471 118.944 119.800 -0.641 0.000 2.428 625 Q HA -0.042 4.305 4.340 0.012 0.000 0.276 625 Q C -0.108 175.542 176.000 -0.583 0.000 1.059 625 Q CA 0.404 55.963 55.803 -0.407 0.000 0.923 625 Q CB 0.444 29.038 28.738 -0.240 0.000 1.283 625 Q HN 0.289 nan 8.270 nan 0.000 0.447 626 F N 0.179 119.904 119.950 -0.375 0.000 2.727 626 F HA 0.231 4.765 4.527 0.012 0.000 0.302 626 F C -0.213 174.957 175.800 -1.051 0.000 1.097 626 F CA -0.003 57.521 58.000 -0.793 0.000 1.330 626 F CB 0.554 38.799 39.000 -1.258 0.000 1.084 626 F HN 0.295 nan 8.300 nan 0.000 0.578 627 F N 0.419 120.275 119.950 -0.157 0.000 2.529 627 F HA 0.481 5.015 4.527 0.013 0.000 0.320 627 F C -0.224 175.193 175.800 -0.639 0.000 1.118 627 F CA -1.074 56.725 58.000 -0.335 0.000 0.915 627 F CB 1.381 40.242 39.000 -0.232 0.000 1.161 627 F HN -0.322 nan 8.300 nan 0.000 0.445 628 Q N 3.463 122.939 119.800 -0.541 0.000 2.342 628 Q HA 0.567 4.915 4.340 0.012 0.000 0.267 628 Q C -1.372 174.282 176.000 -0.577 0.000 1.038 628 Q CA -0.615 54.907 55.803 -0.468 0.000 0.832 628 Q CB 2.955 31.578 28.738 -0.191 0.000 1.323 628 Q HN 0.553 nan 8.270 nan 0.000 0.448 629 F N 0.213 120.293 119.950 0.217 0.000 2.563 629 F HA 0.617 5.152 4.527 0.013 0.000 0.316 629 F C 0.340 176.375 175.800 0.392 0.000 1.076 629 F CA -0.891 57.309 58.000 0.333 0.000 0.921 629 F CB 2.186 41.518 39.000 0.553 0.000 1.209 629 F HN 0.174 nan 8.300 nan 0.000 0.462 630 R N 1.358 122.159 120.500 0.500 0.000 2.744 630 R HA 0.746 5.093 4.340 0.012 0.000 0.279 630 R C -1.989 174.366 176.300 0.091 0.000 0.977 630 R CA -1.167 55.143 56.100 0.350 0.000 0.906 630 R CB 2.729 33.141 30.300 0.187 0.000 1.197 630 R HN 0.597 nan 8.270 nan 0.000 0.463 631 L N 0.575 121.734 121.223 -0.106 0.000 2.365 631 L HA 0.561 4.908 4.340 0.012 0.000 0.273 631 L C -1.108 175.603 176.870 -0.265 0.000 1.000 631 L CA 0.111 54.662 54.840 -0.482 0.000 0.819 631 L CB 2.262 43.594 42.059 -1.211 0.000 1.284 631 L HN 0.500 nan 8.230 nan 0.000 0.418 632 S N 3.579 119.142 115.700 -0.228 0.000 2.652 632 S HA 0.663 5.140 4.470 0.012 0.000 0.252 632 S C 0.296 174.806 174.600 -0.151 0.000 1.219 632 S CA 0.244 58.355 58.200 -0.148 0.000 1.151 632 S CB 0.065 63.215 63.200 -0.083 0.000 1.080 632 S HN 1.494 nan 8.310 nan 0.000 0.481 633 G N 4.572 113.278 108.800 -0.157 0.000 2.720 633 G HA2 -0.309 3.658 3.960 0.012 0.000 0.293 633 G HA3 -0.309 3.658 3.960 0.012 0.000 0.293 633 G C 0.080 174.868 174.900 -0.187 0.000 1.256 633 G CA 0.720 45.735 45.100 -0.142 0.000 0.974 633 G HN 0.727 nan 8.290 nan 0.000 0.551 634 Q N 0.650 120.342 119.800 -0.179 0.000 2.157 634 Q HA 0.469 4.816 4.340 0.012 0.000 0.229 634 Q C -0.179 175.683 176.000 -0.230 0.000 0.827 634 Q CA 0.468 56.135 55.803 -0.227 0.000 1.055 634 Q CB 1.106 29.714 28.738 -0.216 0.000 1.157 634 Q HN 0.425 nan 8.270 nan 0.000 0.482 635 T N 1.138 115.571 114.554 -0.201 0.000 2.758 635 T HA 0.553 4.910 4.350 0.012 0.000 0.285 635 T C -0.283 174.304 174.700 -0.187 0.000 0.981 635 T CA -0.412 61.591 62.100 -0.163 0.000 0.965 635 T CB 0.747 69.551 68.868 -0.107 0.000 0.927 635 T HN 0.123 nan 8.240 nan 0.000 0.448 636 I N 2.926 123.399 120.570 -0.162 0.000 2.321 636 I HA 0.287 4.464 4.170 0.012 0.000 0.291 636 I C 0.573 176.700 176.117 0.016 0.000 0.998 636 I CA -0.448 60.785 61.300 -0.112 0.000 1.227 636 I CB 1.132 39.085 38.000 -0.078 0.000 1.368 636 I HN 0.547 nan 8.210 nan 0.000 0.466 637 E N 6.778 127.019 120.200 0.069 0.000 2.081 637 E HA 0.405 4.762 4.350 0.012 0.000 0.276 637 E C -1.413 175.294 176.600 0.179 0.000 0.950 637 E CA -0.568 55.890 56.400 0.097 0.000 0.776 637 E CB 1.319 31.059 29.700 0.067 0.000 1.094 637 E HN 0.362 nan 8.360 nan 0.000 0.402 638 V N 4.160 124.170 119.914 0.159 0.000 2.427 638 V HA 0.316 4.443 4.120 0.012 0.000 0.286 638 V C 0.101 176.225 176.094 0.050 0.000 1.034 638 V CA -0.459 61.913 62.300 0.120 0.000 0.893 638 V CB 1.703 33.631 31.823 0.175 0.000 0.982 638 V HN 0.682 nan 8.190 nan 0.000 0.452 639 T N 3.226 117.763 114.554 -0.028 0.000 2.829 639 T HA 0.350 4.708 4.350 0.012 0.000 0.280 639 T C -0.134 174.561 174.700 -0.007 0.000 0.999 639 T CA -0.306 61.791 62.100 -0.005 0.000 0.983 639 T CB 1.597 70.440 68.868 -0.041 0.000 0.968 639 T HN 0.678 nan 8.240 nan 0.000 0.446 640 S N 1.680 117.388 115.700 0.013 0.000 2.499 640 S HA 0.231 4.708 4.470 0.012 0.000 0.279 640 S C 0.755 175.225 174.600 -0.217 0.000 1.219 640 S CA -0.575 57.554 58.200 -0.118 0.000 1.062 640 S CB 0.595 63.815 63.200 0.034 0.000 0.978 640 S HN 0.717 nan 8.310 nan 0.000 0.489 641 E N 3.109 123.066 120.200 -0.406 0.000 2.474 641 E HA 0.088 4.445 4.350 0.012 0.000 0.195 641 E C -0.711 175.702 176.600 -0.312 0.000 1.039 641 E CA -0.088 56.117 56.400 -0.326 0.000 0.881 641 E CB 0.265 29.753 29.700 -0.353 0.000 0.970 641 E HN 0.697 nan 8.360 nan 0.000 0.486 642 Y N 0.453 120.626 120.300 -0.211 0.000 2.397 642 Y HA -0.015 4.542 4.550 0.012 0.000 0.335 642 Y C 1.444 177.197 175.900 -0.245 0.000 1.213 642 Y CA 0.015 58.005 58.100 -0.182 0.000 1.391 642 Y CB 0.764 39.106 38.460 -0.197 0.000 1.293 642 Y HN -0.038 nan 8.280 nan 0.000 0.557 643 L N 1.188 122.279 121.223 -0.220 0.000 2.316 643 L HA 0.019 4.367 4.340 0.012 0.000 0.207 643 L C 0.881 177.336 176.870 -0.691 0.000 1.070 643 L CA 0.772 55.235 54.840 -0.628 0.000 0.820 643 L CB -0.043 41.237 42.059 -1.298 0.000 0.992 643 L HN 0.648 nan 8.230 nan 0.000 0.466 644 F N -0.197 119.780 119.950 0.045 0.000 2.680 644 F HA 0.192 4.726 4.527 0.011 0.000 0.290 644 F C 1.346 177.141 175.800 -0.008 0.000 1.114 644 F CA -0.734 57.264 58.000 -0.004 0.000 1.333 644 F CB 0.326 39.298 39.000 -0.046 0.000 1.091 644 F HN -0.087 nan 8.300 nan 0.000 0.606 645 R N -0.089 120.459 120.500 0.080 0.000 2.573 645 R HA 0.471 4.819 4.340 0.012 0.000 0.272 645 R C -1.121 175.205 176.300 0.044 0.000 1.009 645 R CA -0.693 55.407 56.100 -0.000 0.000 1.059 645 R CB 0.792 30.981 30.300 -0.186 0.000 1.112 645 R HN 0.040 nan 8.270 nan 0.000 0.517 646 H N 0.077 119.146 119.070 -0.001 0.000 2.482 646 H HA 0.160 4.723 4.556 0.012 0.000 0.344 646 H C -0.183 175.185 175.328 0.066 0.000 1.151 646 H CA -0.192 55.889 56.048 0.056 0.000 1.300 646 H CB 1.383 31.175 29.762 0.051 0.000 1.494 646 H HN 0.748 nan 8.280 nan 0.000 0.542 647 S N 2.084 117.746 115.700 -0.064 0.000 4.175 647 S HA -0.029 4.448 4.470 0.012 0.000 0.193 647 S C 0.117 174.798 174.600 0.134 0.000 1.373 647 S CA -0.247 58.024 58.200 0.118 0.000 0.908 647 S CB -0.773 62.504 63.200 0.127 0.000 1.547 647 S HN 0.714 nan 8.310 nan 0.000 0.440 648 D N 0.588 121.074 120.400 0.143 0.000 2.324 648 D HA 0.012 4.660 4.640 0.012 0.000 0.235 648 D C 0.344 176.692 176.300 0.081 0.000 1.095 648 D CA -0.101 53.975 54.000 0.128 0.000 0.871 648 D CB -0.314 40.555 40.800 0.116 0.000 0.906 648 D HN 0.500 nan 8.370 nan 0.000 0.522 649 N N -0.027 118.722 118.700 0.082 0.000 2.635 649 N HA 0.137 4.884 4.740 0.012 0.000 0.252 649 N C -1.700 173.865 175.510 0.092 0.000 1.589 649 N CA -0.208 52.884 53.050 0.069 0.000 0.828 649 N CB 0.243 38.759 38.487 0.048 0.000 1.403 649 N HN -0.047 nan 8.380 nan 0.000 0.518 650 E N -0.014 120.232 120.200 0.077 0.000 2.354 650 E HA 0.468 4.826 4.350 0.012 0.000 0.283 650 E C -1.536 175.088 176.600 0.039 0.000 0.938 650 E CA -0.728 55.707 56.400 0.060 0.000 0.777 650 E CB 1.797 31.491 29.700 -0.009 0.000 1.222 650 E HN 0.262 nan 8.360 nan 0.000 0.423 651 L N 0.005 121.262 121.223 0.057 0.000 2.370 651 L HA 0.728 5.075 4.340 0.012 0.000 0.266 651 L C -1.318 175.611 176.870 0.098 0.000 1.002 651 L CA -1.018 53.864 54.840 0.069 0.000 0.818 651 L CB 0.945 43.048 42.059 0.074 0.000 1.325 651 L HN 0.539 nan 8.230 nan 0.000 0.418 652 L N 2.994 124.279 121.223 0.102 0.000 2.257 652 L HA 0.472 4.819 4.340 0.012 0.000 0.290 652 L C -0.596 176.371 176.870 0.161 0.000 1.044 652 L CA 0.176 55.108 54.840 0.153 0.000 0.810 652 L CB 0.051 42.212 42.059 0.169 0.000 1.193 652 L HN 0.668 nan 8.230 nan 0.000 0.425 653 H N 6.300 125.445 119.070 0.124 0.000 2.488 653 H HA 0.318 4.881 4.556 0.012 0.000 0.322 653 H C -1.450 173.981 175.328 0.172 0.000 1.078 653 H CA -0.339 55.753 56.048 0.073 0.000 1.260 653 H CB 0.890 30.667 29.762 0.024 0.000 1.425 653 H HN 0.749 nan 8.280 nan 0.000 0.471 654 W N 5.497 126.810 121.300 0.021 0.000 2.819 654 W HA 0.518 5.185 4.660 0.012 0.000 0.337 654 W C -1.909 174.670 176.519 0.100 0.000 1.077 654 W CA -1.287 56.109 57.345 0.086 0.000 1.226 654 W CB 1.419 30.900 29.460 0.034 0.000 1.419 654 W HN 0.510 nan 8.180 nan 0.000 0.502 655 M N 4.122 124.024 119.600 0.504 0.000 2.378 655 M HA 0.606 5.094 4.480 0.012 0.000 0.289 655 M C -2.460 174.105 176.300 0.442 0.000 1.136 655 M CA -0.404 55.078 55.300 0.303 0.000 0.917 655 M CB 2.333 35.018 32.600 0.141 0.000 1.669 655 M HN 0.210 nan 8.290 nan 0.000 0.461 656 V N 4.003 124.158 119.914 0.401 0.000 2.448 656 V HA 0.989 5.116 4.120 0.012 0.000 0.295 656 V C -0.580 175.640 176.094 0.210 0.000 1.025 656 V CA -0.244 62.249 62.300 0.322 0.000 0.859 656 V CB 1.279 33.294 31.823 0.319 0.000 0.988 656 V HN 1.022 nan 8.190 nan 0.000 0.431 657 A N 4.731 127.676 122.820 0.208 0.000 2.449 657 A HA 0.855 5.183 4.320 0.012 0.000 0.302 657 A C -1.461 176.243 177.584 0.200 0.000 1.048 657 A CA -0.612 51.517 52.037 0.153 0.000 0.708 657 A CB 1.697 20.749 19.000 0.088 0.000 1.274 657 A HN 0.803 nan 8.150 nan 0.000 0.410 658 L N 1.855 123.164 121.223 0.144 0.000 2.264 658 L HA 0.482 4.829 4.340 0.012 0.000 0.287 658 L C -0.558 176.406 176.870 0.156 0.000 1.039 658 L CA 0.298 55.230 54.840 0.152 0.000 0.829 658 L CB 0.023 42.141 42.059 0.098 0.000 1.211 658 L HN 0.746 nan 8.230 nan 0.000 0.427 659 D N 4.982 125.542 120.400 0.266 0.000 2.740 659 D HA -0.200 4.447 4.640 0.012 0.000 0.231 659 D C 1.233 177.592 176.300 0.097 0.000 1.194 659 D CA 1.531 55.701 54.000 0.284 0.000 0.673 659 D CB -0.921 40.001 40.800 0.203 0.000 0.995 659 D HN 1.133 nan 8.370 nan 0.000 0.411 660 G N -0.318 108.502 108.800 0.034 0.000 2.184 660 G HA2 -0.381 3.587 3.960 0.012 0.000 0.264 660 G HA3 -0.381 3.587 3.960 0.012 0.000 0.264 660 G C 0.250 175.081 174.900 -0.114 0.000 0.975 660 G CA 0.657 45.662 45.100 -0.159 0.000 0.642 660 G HN 0.514 nan 8.290 nan 0.000 0.536 661 K N 1.740 122.124 120.400 -0.027 0.000 2.263 661 K HA 0.463 4.790 4.320 0.012 0.000 0.272 661 K C -2.651 173.949 176.600 0.000 0.000 1.033 661 K CA -2.016 54.256 56.287 -0.025 0.000 0.884 661 K CB 1.846 34.345 32.500 -0.002 0.000 1.107 661 K HN 0.031 nan 8.250 nan 0.000 0.460 662 P HA -0.015 nan 4.420 nan 0.000 0.264 662 P C -0.033 177.278 177.300 0.018 0.000 1.193 662 P CA 0.171 63.268 63.100 -0.006 0.000 0.763 662 P CB 0.703 32.380 31.700 -0.038 0.000 0.810 663 L N 1.216 122.468 121.223 0.048 0.000 2.806 663 L HA 0.474 4.821 4.340 0.012 0.000 0.242 663 L C 0.626 177.538 176.870 0.070 0.000 1.068 663 L CA 0.263 55.138 54.840 0.059 0.000 0.923 663 L CB 0.492 42.605 42.059 0.090 0.000 1.364 663 L HN 0.390 nan 8.230 nan 0.000 0.511 664 A N 0.030 122.907 122.820 0.094 0.000 2.582 664 A HA 0.650 4.978 4.320 0.012 0.000 0.297 664 A C -0.961 176.602 177.584 -0.035 0.000 1.059 664 A CA -0.184 51.919 52.037 0.110 0.000 0.705 664 A CB 1.472 20.646 19.000 0.291 0.000 1.279 664 A HN 0.063 nan 8.150 nan 0.000 0.404 665 S N -0.118 115.288 115.700 -0.489 0.000 2.565 665 S HA 0.958 5.435 4.470 0.012 0.000 0.269 665 S C -0.245 173.436 174.600 -1.532 0.000 1.153 665 S CA -0.258 57.219 58.200 -1.204 0.000 0.835 665 S CB 1.364 64.254 63.200 -0.517 0.000 1.122 665 S HN 2.411 nan 8.310 nan 0.000 0.462 666 G N 0.017 107.486 108.800 -2.220 0.000 2.649 666 G HA2 0.671 4.638 3.960 0.012 0.000 0.290 666 G HA3 0.671 4.638 3.960 0.012 0.000 0.290 666 G C -2.140 172.119 174.900 -1.068 0.000 1.426 666 G CA -0.798 43.549 45.100 -1.255 0.000 0.794 666 G HN 0.715 nan 8.290 nan 0.000 0.483 667 E N -1.203 118.713 120.200 -0.473 0.000 2.312 667 E HA 0.663 5.020 4.350 0.012 0.000 0.267 667 E C -1.464 175.116 176.600 -0.034 0.000 0.894 667 E CA -0.895 55.303 56.400 -0.337 0.000 0.773 667 E CB 3.268 32.804 29.700 -0.273 0.000 1.241 667 E HN 0.247 nan 8.360 nan 0.000 0.432 668 V N 2.890 122.830 119.914 0.042 0.000 2.752 668 V HA 0.273 4.400 4.120 0.012 0.000 0.302 668 V C -2.504 173.633 176.094 0.071 0.000 1.133 668 V CA -1.821 60.530 62.300 0.086 0.000 0.919 668 V CB 2.245 34.154 31.823 0.143 0.000 1.026 668 V HN 0.572 nan 8.190 nan 0.000 0.429 669 P HA 0.173 nan 4.420 nan 0.000 0.268 669 P C -0.803 176.533 177.300 0.059 0.000 1.204 669 P CA 0.106 63.240 63.100 0.057 0.000 0.768 669 P CB 0.830 32.563 31.700 0.055 0.000 0.842 670 L N 3.307 124.558 121.223 0.046 0.000 2.295 670 L HA 0.353 4.700 4.340 0.012 0.000 0.285 670 L C 0.261 177.158 176.870 0.046 0.000 1.035 670 L CA -0.125 54.730 54.840 0.025 0.000 0.806 670 L CB 1.304 43.328 42.059 -0.059 0.000 1.214 670 L HN 0.364 nan 8.230 nan 0.000 0.426 671 D N 3.498 123.936 120.400 0.063 0.000 2.468 671 D HA 0.371 5.018 4.640 0.012 0.000 0.272 671 D C -1.225 175.083 176.300 0.013 0.000 1.221 671 D CA -0.205 53.873 54.000 0.130 0.000 0.860 671 D CB 0.939 41.870 40.800 0.219 0.000 1.190 671 D HN 0.071 nan 8.370 nan 0.000 0.509 672 V N 0.741 120.500 119.914 -0.257 0.000 2.715 672 V HA 0.941 5.068 4.120 0.012 0.000 0.310 672 V C 0.825 176.590 176.094 -0.549 0.000 1.054 672 V CA -1.217 60.962 62.300 -0.201 0.000 0.928 672 V CB 1.319 33.158 31.823 0.026 0.000 1.007 672 V HN 0.506 nan 8.190 nan 0.000 0.437 673 A N 4.387 127.110 122.820 -0.162 0.000 2.257 673 A HA 0.805 5.133 4.320 0.012 0.000 0.289 673 A C -2.464 175.137 177.584 0.028 0.000 1.095 673 A CA -1.799 50.255 52.037 0.028 0.000 0.836 673 A CB -0.081 19.063 19.000 0.239 0.000 1.111 673 A HN 0.714 nan 8.150 nan 0.000 0.497 674 P HA 0.026 nan 4.420 nan 0.000 0.261 674 P C -0.409 176.894 177.300 0.004 0.000 1.183 674 P CA 0.658 63.784 63.100 0.042 0.000 0.761 674 P CB 0.558 32.272 31.700 0.023 0.000 0.785 675 Q N -0.836 118.946 119.800 -0.030 0.000 2.305 675 Q HA -0.183 4.164 4.340 0.012 0.000 0.203 675 Q C 0.855 176.849 176.000 -0.010 0.000 0.663 675 Q CA 1.903 57.680 55.803 -0.042 0.000 1.389 675 Q CB -2.495 26.216 28.738 -0.044 0.000 1.566 675 Q HN 0.741 nan 8.270 nan 0.000 0.755 676 G N 0.350 109.160 108.800 0.016 0.000 2.563 676 G HA2 0.467 4.434 3.960 0.012 0.000 0.283 676 G HA3 0.467 4.434 3.960 0.012 0.000 0.283 676 G C -0.068 174.853 174.900 0.034 0.000 1.309 676 G CA -0.408 44.711 45.100 0.032 0.000 1.022 676 G HN 0.021 nan 8.290 nan 0.000 0.501 677 K N -0.918 119.508 120.400 0.043 0.000 2.443 677 K HA 0.504 4.831 4.320 0.012 0.000 0.251 677 K C -1.055 175.579 176.600 0.057 0.000 0.972 677 K CA -0.651 55.665 56.287 0.048 0.000 0.833 677 K CB 2.592 35.114 32.500 0.036 0.000 1.317 677 K HN 0.519 nan 8.250 nan 0.000 0.441 678 Q N 1.868 121.707 119.800 0.064 0.000 2.309 678 Q HA 0.395 4.743 4.340 0.012 0.000 0.273 678 Q C -1.758 174.279 176.000 0.061 0.000 1.040 678 Q CA -0.624 55.217 55.803 0.063 0.000 0.834 678 Q CB 1.686 30.466 28.738 0.071 0.000 1.345 678 Q HN 0.503 nan 8.270 nan 0.000 0.414 679 L N 4.869 126.118 121.223 0.043 0.000 2.282 679 L HA 0.574 4.922 4.340 0.012 0.000 0.288 679 L C -0.597 176.283 176.870 0.017 0.000 1.033 679 L CA -0.584 54.271 54.840 0.025 0.000 0.807 679 L CB 1.166 43.231 42.059 0.009 0.000 1.209 679 L HN 0.549 nan 8.230 nan 0.000 0.423 680 I N 2.766 123.337 120.570 0.002 0.000 2.418 680 I HA 0.254 4.431 4.170 0.012 0.000 0.287 680 I C -0.549 175.523 176.117 -0.076 0.000 1.008 680 I CA -0.554 60.736 61.300 -0.017 0.000 1.104 680 I CB 2.031 40.034 38.000 0.005 0.000 1.264 680 I HN 0.519 nan 8.210 nan 0.000 0.438 681 E N 6.188 126.343 120.200 -0.076 0.000 2.174 681 E HA 0.437 4.794 4.350 0.012 0.000 0.282 681 E C -0.716 175.786 176.600 -0.164 0.000 0.992 681 E CA -0.387 55.944 56.400 -0.116 0.000 0.803 681 E CB 1.300 30.951 29.700 -0.082 0.000 1.090 681 E HN 0.393 nan 8.360 nan 0.000 0.396 682 L N 4.896 125.957 121.223 -0.270 0.000 2.395 682 L HA 0.344 4.691 4.340 0.012 0.000 0.269 682 L C -1.772 174.934 176.870 -0.273 0.000 1.133 682 L CA -1.822 52.764 54.840 -0.423 0.000 0.812 682 L CB 0.568 42.263 42.059 -0.607 0.000 1.125 682 L HN 0.362 nan 8.230 nan 0.000 0.452 683 P HA -0.069 nan 4.420 nan 0.000 0.271 683 P C -0.485 176.761 177.300 -0.091 0.000 1.233 683 P CA -0.211 62.844 63.100 -0.075 0.000 0.795 683 P CB 0.291 32.027 31.700 0.060 0.000 0.936 684 E N 1.170 121.348 120.200 -0.038 0.000 2.351 684 E HA 0.071 4.428 4.350 0.012 0.000 0.266 684 E C -0.743 175.847 176.600 -0.017 0.000 1.031 684 E CA -0.019 56.359 56.400 -0.035 0.000 0.911 684 E CB -0.022 29.670 29.700 -0.014 0.000 0.986 684 E HN 0.175 nan 8.360 nan 0.000 0.446 685 L N 4.979 126.183 121.223 -0.033 0.000 2.687 685 L HA 0.604 4.951 4.340 0.012 0.000 0.252 685 L C -1.995 174.885 176.870 0.017 0.000 1.115 685 L CA -2.059 52.783 54.840 0.004 0.000 0.893 685 L CB 0.151 42.204 42.059 -0.010 0.000 1.670 685 L HN 0.511 nan 8.230 nan 0.000 0.531 686 P HA 0.337 nan 4.420 nan 0.000 0.279 686 P C -1.624 175.685 177.300 0.015 0.000 1.276 686 P CA -0.494 62.624 63.100 0.030 0.000 0.801 686 P CB 0.804 32.530 31.700 0.044 0.000 1.127 687 Q N -0.055 119.753 119.800 0.014 0.000 2.650 687 Q HA 0.404 4.751 4.340 0.012 0.000 0.239 687 Q C -2.526 173.482 176.000 0.014 0.000 0.893 687 Q CA -1.127 54.681 55.803 0.008 0.000 0.755 687 Q CB 1.139 29.876 28.738 -0.000 0.000 1.349 687 Q HN 0.311 nan 8.270 nan 0.000 0.461 688 P HA 0.253 nan 4.420 nan 0.000 0.296 688 P C 0.095 177.406 177.300 0.018 0.000 1.306 688 P CA -0.550 62.563 63.100 0.022 0.000 0.818 688 P CB 1.476 33.194 31.700 0.030 0.000 0.969 689 E N 0.437 120.647 120.200 0.017 0.000 2.085 689 E HA -0.099 4.258 4.350 0.012 0.000 0.194 689 E C 0.732 177.343 176.600 0.019 0.000 0.994 689 E CA 0.844 57.253 56.400 0.015 0.000 0.801 689 E CB -0.869 28.839 29.700 0.013 0.000 0.743 689 E HN 0.459 nan 8.360 nan 0.000 0.453 690 S N 0.832 116.546 115.700 0.023 0.000 2.642 690 S HA 0.102 4.579 4.470 0.012 0.000 0.308 690 S C 0.242 174.862 174.600 0.033 0.000 1.255 690 S CA 0.081 58.298 58.200 0.028 0.000 1.057 690 S CB 0.113 63.331 63.200 0.030 0.000 0.785 690 S HN 0.312 nan 8.310 nan 0.000 0.500 691 A N 4.251 127.093 122.820 0.036 0.000 2.555 691 A HA 0.568 4.895 4.320 0.012 0.000 0.233 691 A C 1.074 178.690 177.584 0.053 0.000 1.060 691 A CA 0.477 52.538 52.037 0.041 0.000 0.759 691 A CB -0.732 18.295 19.000 0.045 0.000 0.995 691 A HN 2.058 nan 8.150 nan 0.000 0.506 692 G N 0.008 108.841 108.800 0.054 0.000 2.351 692 G HA2 0.456 4.423 3.960 0.012 0.000 0.353 692 G HA3 0.456 4.423 3.960 0.012 0.000 0.353 692 G C -1.065 173.870 174.900 0.057 0.000 1.358 692 G CA -0.170 44.976 45.100 0.077 0.000 0.995 692 G HN 1.258 nan 8.290 nan 0.000 0.611 693 Q N -0.174 119.678 119.800 0.085 0.000 2.290 693 Q HA 0.721 5.068 4.340 0.012 0.000 0.259 693 Q C -0.239 175.801 176.000 0.068 0.000 0.941 693 Q CA -0.616 55.191 55.803 0.006 0.000 0.912 693 Q CB 1.274 29.980 28.738 -0.053 0.000 1.244 693 Q HN 0.588 nan 8.270 nan 0.000 0.441 694 L N 4.344 125.549 121.223 -0.030 0.000 2.349 694 L HA 0.413 4.760 4.340 0.012 0.000 0.275 694 L C -0.860 175.983 176.870 -0.045 0.000 1.115 694 L CA -0.297 54.566 54.840 0.038 0.000 0.820 694 L CB 0.634 42.694 42.059 0.002 0.000 1.135 694 L HN 0.730 nan 8.230 nan 0.000 0.445 695 W N 4.492 125.834 121.300 0.070 0.000 2.781 695 W HA 0.422 5.089 4.660 0.012 0.000 0.333 695 W C -0.735 175.879 176.519 0.159 0.000 1.047 695 W CA -0.511 56.896 57.345 0.104 0.000 1.236 695 W CB 1.617 31.151 29.460 0.123 0.000 1.394 695 W HN 0.130 nan 8.180 nan 0.000 0.466 696 L N 3.901 125.371 121.223 0.413 0.000 2.292 696 L HA 0.749 5.096 4.340 0.012 0.000 0.284 696 L C -0.214 176.959 176.870 0.506 0.000 1.065 696 L CA 0.475 55.558 54.840 0.405 0.000 0.806 696 L CB 1.024 43.271 42.059 0.314 0.000 1.175 696 L HN 0.323 nan 8.230 nan 0.000 0.431 697 T N 5.320 120.130 114.554 0.426 0.000 2.841 697 T HA 0.628 4.985 4.350 0.012 0.000 0.285 697 T C -0.749 174.161 174.700 0.350 0.000 0.991 697 T CA -0.437 61.876 62.100 0.355 0.000 0.966 697 T CB 1.422 70.437 68.868 0.244 0.000 0.962 697 T HN 0.604 nan 8.240 nan 0.000 0.438 698 V N 1.643 121.738 119.914 0.302 0.000 2.864 698 V HA 0.864 4.991 4.120 0.012 0.000 0.314 698 V C -0.605 175.588 176.094 0.165 0.000 1.073 698 V CA -1.124 61.319 62.300 0.238 0.000 0.956 698 V CB 2.042 33.962 31.823 0.163 0.000 1.023 698 V HN 0.822 nan 8.190 nan 0.000 0.435 699 R N 1.704 122.325 120.500 0.202 0.000 2.698 699 R HA 0.763 5.111 4.340 0.012 0.000 0.275 699 R C -1.782 174.660 176.300 0.236 0.000 1.001 699 R CA -0.710 55.528 56.100 0.231 0.000 0.896 699 R CB 2.757 33.157 30.300 0.166 0.000 1.218 699 R HN 0.708 nan 8.270 nan 0.000 0.462 700 V N 3.402 123.478 119.914 0.270 0.000 2.394 700 V HA 0.415 4.542 4.120 0.012 0.000 0.282 700 V C -0.336 175.872 176.094 0.191 0.000 1.031 700 V CA -0.588 61.841 62.300 0.216 0.000 0.881 700 V CB 1.670 33.622 31.823 0.215 0.000 0.982 700 V HN 0.415 nan 8.190 nan 0.000 0.451 701 V N 4.881 124.886 119.914 0.153 0.000 2.555 701 V HA 0.419 4.547 4.120 0.012 0.000 0.302 701 V C -0.268 175.903 176.094 0.128 0.000 1.038 701 V CA -0.742 61.632 62.300 0.123 0.000 0.887 701 V CB 1.890 33.769 31.823 0.093 0.000 0.991 701 V HN 0.875 nan 8.190 nan 0.000 0.434 702 Q N 5.161 125.047 119.800 0.143 0.000 2.421 702 Q HA 0.277 4.625 4.340 0.012 0.000 0.242 702 Q C -1.756 174.284 176.000 0.067 0.000 1.024 702 Q CA -1.785 54.091 55.803 0.122 0.000 0.891 702 Q CB 2.009 30.844 28.738 0.161 0.000 1.222 702 Q HN 0.497 nan 8.270 nan 0.000 0.483 703 P HA -0.142 nan 4.420 nan 0.000 0.219 703 P C -0.610 176.694 177.300 0.007 0.000 1.150 703 P CA 1.132 64.252 63.100 0.033 0.000 0.814 703 P CB 0.421 32.143 31.700 0.037 0.000 0.787 704 N N -0.842 117.853 118.700 -0.009 0.000 2.361 704 N HA 0.486 5.233 4.740 0.012 0.000 0.302 704 N C -0.484 174.975 175.510 -0.085 0.000 1.074 704 N CA -0.772 52.257 53.050 -0.035 0.000 0.850 704 N CB 1.371 39.842 38.487 -0.028 0.000 1.228 704 N HN -0.087 nan 8.380 nan 0.000 0.491 705 A N 0.796 123.559 122.820 -0.095 0.000 2.429 705 A HA 0.452 4.779 4.320 0.012 0.000 0.242 705 A C 0.552 178.011 177.584 -0.208 0.000 1.088 705 A CA 0.163 52.107 52.037 -0.155 0.000 0.784 705 A CB -0.005 18.926 19.000 -0.114 0.000 1.038 705 A HN 0.705 nan 8.150 nan 0.000 0.501 706 T N -3.624 110.730 114.554 -0.334 0.000 2.804 706 T HA 0.620 4.977 4.350 0.012 0.000 0.290 706 T C 0.894 175.422 174.700 -0.286 0.000 1.099 706 T CA 0.072 61.949 62.100 -0.372 0.000 1.011 706 T CB 1.064 69.435 68.868 -0.828 0.000 1.291 706 T HN 1.494 nan 8.240 nan 0.000 0.523 707 A N 0.088 122.821 122.820 -0.146 0.000 2.019 707 A HA 0.078 4.405 4.320 0.012 0.000 0.219 707 A C 1.667 179.350 177.584 0.166 0.000 1.164 707 A CA 1.379 53.440 52.037 0.041 0.000 0.644 707 A CB -0.901 18.171 19.000 0.120 0.000 0.805 707 A HN 0.935 nan 8.150 nan 0.000 0.449 708 W N -0.812 120.545 121.300 0.095 0.000 2.870 708 W HA 0.430 5.097 4.660 0.013 0.000 0.358 708 W C -0.215 176.284 176.519 -0.033 0.000 1.043 708 W CA 0.471 57.859 57.345 0.071 0.000 1.692 708 W CB -1.003 28.493 29.460 0.059 0.000 1.100 708 W HN 0.410 nan 8.180 nan 0.000 0.557 709 S N -0.085 115.203 115.700 -0.686 0.000 2.570 709 S HA 0.474 4.951 4.470 0.012 0.000 0.270 709 S C -1.106 173.263 174.600 -0.385 0.000 1.149 709 S CA -0.767 57.067 58.200 -0.611 0.000 0.837 709 S CB 2.767 65.222 63.200 -1.241 0.000 1.124 709 S HN 0.106 nan 8.310 nan 0.000 0.465 710 E N 0.531 120.619 120.200 -0.186 0.000 2.283 710 E HA 0.614 4.971 4.350 0.012 0.000 0.271 710 E C 0.249 176.815 176.600 -0.057 0.000 1.031 710 E CA -0.886 55.461 56.400 -0.088 0.000 0.868 710 E CB 1.431 31.124 29.700 -0.013 0.000 1.094 710 E HN 0.882 nan 8.360 nan 0.000 0.401 711 A N 1.009 123.803 122.820 -0.044 0.000 2.555 711 A HA 0.314 4.641 4.320 0.012 0.000 0.233 711 A C 1.241 178.835 177.584 0.016 0.000 1.060 711 A CA 0.951 52.976 52.037 -0.020 0.000 0.759 711 A CB -0.551 18.440 19.000 -0.016 0.000 0.995 711 A HN 0.857 nan 8.150 nan 0.000 0.506 712 G N 0.311 109.130 108.800 0.033 0.000 2.225 712 G HA2 -0.286 3.681 3.960 0.012 0.000 0.254 712 G HA3 -0.286 3.681 3.960 0.012 0.000 0.254 712 G C 0.329 175.269 174.900 0.067 0.000 0.988 712 G CA 0.924 46.045 45.100 0.035 0.000 0.625 712 G HN 1.982 nan 8.290 nan 0.000 0.527 713 H N 1.004 120.077 119.070 0.006 0.000 3.140 713 H HA 0.357 4.920 4.556 0.012 0.000 0.316 713 H C 0.782 176.178 175.328 0.114 0.000 0.986 713 H CA 0.553 56.632 56.048 0.052 0.000 1.397 713 H CB 0.113 29.893 29.762 0.031 0.000 1.377 713 H HN 0.360 nan 8.280 nan 0.000 0.585 714 I N 4.571 124.894 120.570 -0.412 0.000 2.365 714 I HA 0.033 4.210 4.170 0.012 0.000 0.291 714 I C 0.995 176.965 176.117 -0.244 0.000 1.004 714 I CA 0.179 61.374 61.300 -0.175 0.000 1.311 714 I CB 1.588 39.539 38.000 -0.080 0.000 1.401 714 I HN 0.811 nan 8.210 nan 0.000 0.491 715 S N 3.873 119.674 115.700 0.168 0.000 2.505 715 S HA 0.591 5.069 4.470 0.012 0.000 0.216 715 S C 0.394 175.269 174.600 0.459 0.000 1.018 715 S CA -0.010 58.427 58.200 0.395 0.000 0.911 715 S CB 0.576 64.134 63.200 0.595 0.000 0.818 715 S HN 0.735 nan 8.310 nan 0.000 0.497 716 A N 0.517 123.636 122.820 0.499 0.000 2.608 716 A HA 0.697 5.024 4.320 0.012 0.000 0.292 716 A C -1.858 176.094 177.584 0.613 0.000 1.066 716 A CA -0.820 51.496 52.037 0.465 0.000 0.676 716 A CB 0.441 19.768 19.000 0.544 0.000 1.277 716 A HN 0.981 nan 8.150 nan 0.000 0.413 717 W N -0.427 121.048 121.300 0.292 0.000 2.989 717 W HA 0.787 5.455 4.660 0.013 0.000 0.344 717 W C -1.346 175.213 176.519 0.067 0.000 1.233 717 W CA -0.528 56.873 57.345 0.093 0.000 1.187 717 W CB 1.099 30.578 29.460 0.032 0.000 1.443 717 W HN 1.057 nan 8.180 nan 0.000 0.573 718 Q N 1.112 120.978 119.800 0.111 0.000 2.545 718 Q HA 0.394 4.741 4.340 0.012 0.000 0.273 718 Q C -1.603 174.270 176.000 -0.211 0.000 0.975 718 Q CA -0.446 55.252 55.803 -0.174 0.000 0.876 718 Q CB 2.238 30.693 28.738 -0.471 0.000 1.472 718 Q HN 0.612 nan 8.270 nan 0.000 0.389 719 Q N 1.427 121.043 119.800 -0.307 0.000 2.451 719 Q HA 0.648 4.995 4.340 0.012 0.000 0.281 719 Q C -1.081 174.811 176.000 -0.181 0.000 1.099 719 Q CA -0.707 55.111 55.803 0.025 0.000 0.806 719 Q CB 2.569 31.499 28.738 0.320 0.000 1.419 719 Q HN 0.605 nan 8.270 nan 0.000 0.427 720 W N 0.803 122.254 121.300 0.251 0.000 3.217 720 W HA 0.412 5.079 4.660 0.012 0.000 0.323 720 W C -0.430 175.979 176.519 -0.182 0.000 1.216 720 W CA -0.655 56.724 57.345 0.058 0.000 1.194 720 W CB 1.771 31.237 29.460 0.010 0.000 1.397 720 W HN 0.426 nan 8.180 nan 0.000 0.537 721 R N 1.815 122.126 120.500 -0.316 0.000 2.389 721 R HA 0.407 4.754 4.340 0.012 0.000 0.295 721 R C 0.468 176.586 176.300 -0.303 0.000 1.075 721 R CA 0.045 55.694 56.100 -0.752 0.000 1.005 721 R CB 0.934 30.790 30.300 -0.742 0.000 0.987 721 R HN 0.321 nan 8.270 nan 0.000 0.452 722 L N 1.415 122.479 121.223 -0.265 0.000 2.731 722 L HA 0.529 4.876 4.340 0.012 0.000 0.199 722 L C 0.521 177.303 176.870 -0.147 0.000 1.976 722 L CA -1.013 53.742 54.840 -0.142 0.000 2.802 722 L CB -0.151 41.859 42.059 -0.082 0.000 2.882 722 L HN 0.579 nan 8.230 nan 0.000 0.651 723 A N 0.377 123.137 122.820 -0.099 0.000 2.445 723 A HA 0.185 4.512 4.320 0.012 0.000 0.242 723 A C -0.279 177.251 177.584 -0.090 0.000 1.075 723 A CA 0.199 52.186 52.037 -0.084 0.000 0.777 723 A CB 0.079 19.047 19.000 -0.054 0.000 1.013 723 A HN 0.583 nan 8.150 nan 0.000 0.493 724 E N 1.333 121.486 120.200 -0.078 0.000 2.210 724 E HA 0.297 4.654 4.350 0.012 0.000 0.266 724 E C -1.362 175.221 176.600 -0.030 0.000 0.883 724 E CA -0.729 55.631 56.400 -0.067 0.000 0.761 724 E CB 0.781 30.429 29.700 -0.087 0.000 1.156 724 E HN 0.679 nan 8.360 nan 0.000 0.412 725 N N 5.113 123.808 118.700 -0.008 0.000 2.511 725 N HA 0.265 5.013 4.740 0.012 0.000 0.249 725 N C -0.544 174.974 175.510 0.014 0.000 0.971 725 N CA -0.353 52.700 53.050 0.004 0.000 0.938 725 N CB 1.158 39.652 38.487 0.012 0.000 1.131 725 N HN 0.474 nan 8.380 nan 0.000 0.505 726 L N 0.774 122.005 121.223 0.013 0.000 2.453 726 L HA 0.103 4.450 4.340 0.012 0.000 0.272 726 L C 1.302 178.190 176.870 0.030 0.000 1.182 726 L CA 0.062 54.916 54.840 0.024 0.000 0.858 726 L CB 0.444 42.516 42.059 0.022 0.000 1.120 726 L HN 0.374 nan 8.230 nan 0.000 0.474 727 S N 1.813 117.537 115.700 0.039 0.000 2.505 727 S HA 0.240 4.717 4.470 0.012 0.000 0.276 727 S C 0.612 175.234 174.600 0.036 0.000 1.274 727 S CA -0.776 57.447 58.200 0.039 0.000 1.053 727 S CB 0.855 64.084 63.200 0.048 0.000 0.919 727 S HN 0.472 nan 8.310 nan 0.000 0.490 728 V N 2.161 122.093 119.914 0.030 0.000 3.380 728 V HA 0.339 4.466 4.120 0.012 0.000 0.307 728 V C 0.594 176.704 176.094 0.026 0.000 1.434 728 V CA 0.086 62.402 62.300 0.026 0.000 1.075 728 V CB -0.616 31.220 31.823 0.021 0.000 0.954 728 V HN 0.861 nan 8.190 nan 0.000 0.444 729 T N 0.778 115.350 114.554 0.029 0.000 2.749 729 T HA 0.694 5.051 4.350 0.012 0.000 0.295 729 T C -0.269 174.449 174.700 0.030 0.000 0.936 729 T CA -0.369 61.748 62.100 0.028 0.000 1.060 729 T CB 1.117 70.002 68.868 0.029 0.000 0.904 729 T HN 0.248 nan 8.240 nan 0.000 0.500 730 L N 5.116 126.355 121.223 0.026 0.000 2.416 730 L HA 0.355 4.702 4.340 0.012 0.000 0.272 730 L C -1.458 175.428 176.870 0.027 0.000 1.161 730 L CA -1.525 53.330 54.840 0.025 0.000 0.845 730 L CB -0.498 41.572 42.059 0.019 0.000 1.119 730 L HN 0.551 nan 8.230 nan 0.000 0.464 731 P HA 0.249 nan 4.420 nan 0.000 0.271 731 P C -0.579 176.736 177.300 0.025 0.000 1.218 731 P CA -0.515 62.607 63.100 0.035 0.000 0.780 731 P CB 0.717 32.442 31.700 0.041 0.000 0.901 732 A N 1.920 124.759 122.820 0.031 0.000 2.346 732 A HA 0.533 4.860 4.320 0.012 0.000 0.252 732 A C 0.362 177.932 177.584 -0.024 0.000 1.089 732 A CA -0.145 51.900 52.037 0.014 0.000 0.797 732 A CB -0.265 18.758 19.000 0.039 0.000 1.047 732 A HN 0.656 nan 8.150 nan 0.000 0.494 733 A N 1.194 123.962 122.820 -0.086 0.000 2.409 733 A HA 0.516 4.843 4.320 0.012 0.000 0.262 733 A C 0.816 178.161 177.584 -0.398 0.000 1.113 733 A CA 0.290 52.227 52.037 -0.168 0.000 0.790 733 A CB -0.446 18.463 19.000 -0.153 0.000 1.046 733 A HN 1.779 nan 8.150 nan 0.000 0.496 734 S N 1.963 117.497 115.700 -0.276 0.000 2.565 734 S HA 0.321 4.798 4.470 0.012 0.000 0.276 734 S C -0.141 174.249 174.600 -0.350 0.000 1.326 734 S CA -0.438 57.609 58.200 -0.254 0.000 1.045 734 S CB 0.165 63.383 63.200 0.029 0.000 0.918 734 S HN 0.668 nan 8.310 nan 0.000 0.505 735 H N 1.343 120.422 119.070 0.015 0.000 2.672 735 H HA 0.727 5.291 4.556 0.012 0.000 0.262 735 H C 0.330 175.663 175.328 0.008 0.000 1.577 735 H CA 0.255 56.310 56.048 0.011 0.000 1.183 735 H CB -0.992 28.776 29.762 0.009 0.000 1.546 735 H HN 0.953 nan 8.280 nan 0.000 0.502 736 A N 1.013 123.888 122.820 0.090 0.000 2.549 736 A HA 0.450 4.778 4.320 0.012 0.000 0.297 736 A C -1.812 175.799 177.584 0.046 0.000 0.983 736 A CA -0.803 51.272 52.037 0.062 0.000 0.654 736 A CB 1.039 20.080 19.000 0.067 0.000 1.319 736 A HN 0.272 nan 8.150 nan 0.000 0.428 737 I N 1.525 122.121 120.570 0.044 0.000 2.499 737 I HA 0.653 4.831 4.170 0.012 0.000 0.288 737 I C -2.887 173.285 176.117 0.093 0.000 1.048 737 I CA -2.342 58.998 61.300 0.066 0.000 1.062 737 I CB 2.085 40.128 38.000 0.072 0.000 1.238 737 I HN 0.399 nan 8.210 nan 0.000 0.426 738 P HA 0.241 nan 4.420 nan 0.000 0.268 738 P C -1.041 176.407 177.300 0.247 0.000 1.205 738 P CA 0.380 63.551 63.100 0.119 0.000 0.771 738 P CB 0.283 32.015 31.700 0.053 0.000 0.858 739 H N 0.935 120.037 119.070 0.054 0.000 2.463 739 H HA 0.409 4.973 4.556 0.012 0.000 0.332 739 H C -0.407 174.951 175.328 0.050 0.000 1.127 739 H CA -0.985 55.086 56.048 0.039 0.000 1.238 739 H CB 1.600 31.387 29.762 0.041 0.000 1.478 739 H HN 0.281 nan 8.280 nan 0.000 0.499 740 L N 2.338 123.609 121.223 0.080 0.000 2.317 740 L HA 0.334 4.681 4.340 0.012 0.000 0.281 740 L C -0.486 176.425 176.870 0.068 0.000 1.024 740 L CA -0.043 54.836 54.840 0.064 0.000 0.810 740 L CB 1.799 43.848 42.059 -0.016 0.000 1.240 740 L HN 0.497 nan 8.230 nan 0.000 0.427 741 T N 3.431 118.057 114.554 0.120 0.000 2.840 741 T HA 0.549 4.907 4.350 0.012 0.000 0.287 741 T C -0.644 174.151 174.700 0.158 0.000 0.991 741 T CA -0.301 61.863 62.100 0.107 0.000 0.964 741 T CB 1.121 70.043 68.868 0.090 0.000 0.954 741 T HN 0.729 nan 8.240 nan 0.000 0.438 742 T N 2.902 117.542 114.554 0.143 0.000 2.855 742 T HA 0.759 5.116 4.350 0.012 0.000 0.281 742 T C -0.214 174.524 174.700 0.062 0.000 1.007 742 T CA -0.733 61.473 62.100 0.177 0.000 1.009 742 T CB 1.396 70.397 68.868 0.223 0.000 0.983 742 T HN 0.692 nan 8.240 nan 0.000 0.455 743 S N 0.817 116.511 115.700 -0.011 0.000 2.697 743 S HA 0.459 4.936 4.470 0.012 0.000 0.289 743 S C 0.887 175.424 174.600 -0.105 0.000 1.149 743 S CA -0.920 57.257 58.200 -0.038 0.000 0.850 743 S CB 1.753 64.940 63.200 -0.022 0.000 1.151 743 S HN 0.735 nan 8.310 nan 0.000 0.491 744 E N -0.340 119.811 120.200 -0.082 0.000 2.160 744 E HA -0.139 4.218 4.350 0.012 0.000 0.195 744 E C 0.994 177.506 176.600 -0.146 0.000 0.991 744 E CA 1.319 57.656 56.400 -0.105 0.000 0.810 744 E CB -0.105 29.557 29.700 -0.063 0.000 0.742 744 E HN 0.596 nan 8.360 nan 0.000 0.466 745 M N 0.266 119.796 119.600 -0.118 0.000 2.465 745 M HA 0.191 4.678 4.480 0.012 0.000 0.249 745 M C -0.150 176.076 176.300 -0.123 0.000 1.130 745 M CA 0.463 55.702 55.300 -0.102 0.000 1.067 745 M CB 0.465 33.041 32.600 -0.040 0.000 1.394 745 M HN -0.101 nan 8.290 nan 0.000 0.483 746 D N -1.047 119.252 120.400 -0.168 0.000 2.583 746 D HA 0.440 5.088 4.640 0.012 0.000 0.248 746 D C -1.561 174.651 176.300 -0.147 0.000 1.209 746 D CA -0.320 53.617 54.000 -0.106 0.000 0.848 746 D CB 2.636 43.459 40.800 0.039 0.000 1.431 746 D HN -0.058 nan 8.370 nan 0.000 0.436 747 F N 1.107 121.143 119.950 0.143 0.000 2.500 747 F HA 0.315 4.849 4.527 0.012 0.000 0.349 747 F C -0.249 175.691 175.800 0.234 0.000 1.127 747 F CA -0.807 57.278 58.000 0.140 0.000 0.998 747 F CB 1.283 40.335 39.000 0.087 0.000 1.237 747 F HN 0.077 nan 8.300 nan 0.000 0.439 748 C N 5.129 124.651 119.300 0.369 0.000 2.298 748 C HA 0.694 5.161 4.460 0.012 0.000 0.323 748 C C -0.084 175.077 174.990 0.286 0.000 1.284 748 C CA -0.837 58.363 59.018 0.304 0.000 1.577 748 C CB -0.068 27.779 27.740 0.178 0.000 2.249 748 C HN 0.512 nan 8.230 nan 0.000 0.497 749 I N 2.578 123.374 120.570 0.377 0.000 2.474 749 I HA 0.518 4.695 4.170 0.012 0.000 0.294 749 I C -0.049 176.329 176.117 0.434 0.000 1.005 749 I CA -0.201 61.308 61.300 0.348 0.000 1.113 749 I CB 1.342 39.541 38.000 0.332 0.000 1.289 749 I HN 0.648 nan 8.210 nan 0.000 0.436 750 E N 5.383 125.773 120.200 0.317 0.000 2.222 750 E HA 0.760 5.117 4.350 0.012 0.000 0.267 750 E C -1.803 174.950 176.600 0.256 0.000 0.884 750 E CA -0.805 55.750 56.400 0.258 0.000 0.764 750 E CB 2.060 31.821 29.700 0.102 0.000 1.169 750 E HN 0.554 nan 8.360 nan 0.000 0.413 751 L N 5.161 126.547 121.223 0.271 0.000 2.555 751 L HA 0.531 4.878 4.340 0.012 0.000 0.264 751 L C 0.250 177.186 176.870 0.111 0.000 0.972 751 L CA 0.575 55.535 54.840 0.201 0.000 0.876 751 L CB 1.230 43.467 42.059 0.296 0.000 1.216 751 L HN 0.819 nan 8.230 nan 0.000 0.415 752 G N 4.255 113.073 108.800 0.030 0.000 2.660 752 G HA2 -0.449 3.518 3.960 0.012 0.000 0.321 752 G HA3 -0.449 3.518 3.960 0.012 0.000 0.321 752 G C 0.613 175.503 174.900 -0.017 0.000 1.246 752 G CA 0.677 45.777 45.100 0.000 0.000 1.000 752 G HN 1.180 nan 8.290 nan 0.000 0.550 753 N N 1.748 120.435 118.700 -0.022 0.000 2.434 753 N HA 0.105 4.852 4.740 0.012 0.000 0.196 753 N C 0.325 175.789 175.510 -0.078 0.000 1.183 753 N CA 0.952 53.974 53.050 -0.047 0.000 0.849 753 N CB 0.100 38.562 38.487 -0.043 0.000 0.992 753 N HN 0.755 nan 8.380 nan 0.000 0.460 754 K N 0.077 120.427 120.400 -0.084 0.000 2.328 754 K HA 0.567 4.894 4.320 0.012 0.000 0.246 754 K C -0.450 175.976 176.600 -0.290 0.000 0.955 754 K CA -0.645 55.489 56.287 -0.255 0.000 0.817 754 K CB 2.316 34.615 32.500 -0.335 0.000 1.208 754 K HN -0.046 nan 8.250 nan 0.000 0.432 755 R N 1.029 121.222 120.500 -0.513 0.000 2.668 755 R HA 0.431 4.778 4.340 0.012 0.000 0.272 755 R C -1.373 174.740 176.300 -0.311 0.000 1.019 755 R CA -0.887 55.085 56.100 -0.214 0.000 0.894 755 R CB 1.823 32.052 30.300 -0.117 0.000 1.228 755 R HN 0.563 nan 8.270 nan 0.000 0.460 756 W N 1.930 123.341 121.300 0.184 0.000 2.883 756 W HA 0.346 5.013 4.660 0.012 0.000 0.335 756 W C -0.616 175.998 176.519 0.157 0.000 1.083 756 W CA -0.582 56.822 57.345 0.098 0.000 1.233 756 W CB 2.357 31.849 29.460 0.053 0.000 1.412 756 W HN 0.407 nan 8.180 nan 0.000 0.490 757 Q N 2.378 122.325 119.800 0.244 0.000 2.330 757 Q HA 0.468 4.816 4.340 0.012 0.000 0.269 757 Q C -1.834 174.138 176.000 -0.047 0.000 1.022 757 Q CA -0.496 55.451 55.803 0.240 0.000 0.796 757 Q CB 1.428 30.359 28.738 0.321 0.000 1.271 757 Q HN 0.325 nan 8.270 nan 0.000 0.450 758 F N 2.824 122.880 119.950 0.177 0.000 2.402 758 F HA 0.312 4.846 4.527 0.012 0.000 0.355 758 F C 0.510 176.369 175.800 0.099 0.000 1.123 758 F CA -0.960 57.114 58.000 0.124 0.000 1.021 758 F CB 1.178 40.253 39.000 0.126 0.000 1.160 758 F HN 0.492 nan 8.300 nan 0.000 0.451 759 N N 3.691 122.516 118.700 0.209 0.000 2.420 759 N HA 0.065 4.812 4.740 0.012 0.000 0.262 759 N C 0.865 176.416 175.510 0.067 0.000 1.144 759 N CA 0.029 53.148 53.050 0.114 0.000 0.952 759 N CB 0.686 39.245 38.487 0.119 0.000 1.081 759 N HN 0.682 nan 8.380 nan 0.000 0.480 760 R N 2.234 122.704 120.500 -0.051 0.000 2.276 760 R HA -0.061 4.287 4.340 0.012 0.000 0.203 760 R C 1.629 177.882 176.300 -0.078 0.000 1.017 760 R CA 0.612 56.633 56.100 -0.132 0.000 1.010 760 R CB 0.211 30.305 30.300 -0.343 0.000 0.900 760 R HN 0.680 nan 8.270 nan 0.000 0.469 761 Q N 0.567 120.347 119.800 -0.032 0.000 2.200 761 Q HA -0.068 4.279 4.340 0.012 0.000 0.197 761 Q C 1.898 177.901 176.000 0.005 0.000 0.953 761 Q CA 1.520 57.313 55.803 -0.017 0.000 0.851 761 Q CB 0.249 28.991 28.738 0.006 0.000 0.938 761 Q HN 0.330 nan 8.270 nan 0.000 0.488 762 S N -1.348 114.387 115.700 0.059 0.000 2.425 762 S HA 0.122 4.600 4.470 0.012 0.000 0.225 762 S C 1.433 176.006 174.600 -0.045 0.000 1.024 762 S CA 0.871 59.141 58.200 0.116 0.000 0.951 762 S CB 0.170 63.549 63.200 0.298 0.000 0.796 762 S HN 0.656 nan 8.310 nan 0.000 0.498 763 G N 0.342 109.115 108.800 -0.045 0.000 2.136 763 G HA2 -0.209 3.758 3.960 0.012 0.000 0.242 763 G HA3 -0.209 3.758 3.960 0.012 0.000 0.242 763 G C -0.106 174.712 174.900 -0.137 0.000 0.989 763 G CA 0.221 45.247 45.100 -0.124 0.000 0.682 763 G HN 0.536 nan 8.290 nan 0.000 0.522 764 F N -1.385 118.752 119.950 0.311 0.000 2.579 764 F HA 0.665 5.200 4.527 0.012 0.000 0.324 764 F C 0.417 176.266 175.800 0.082 0.000 1.058 764 F CA -1.464 56.681 58.000 0.242 0.000 0.944 764 F CB 1.569 40.669 39.000 0.167 0.000 1.245 764 F HN 0.015 nan 8.300 nan 0.000 0.477 765 L N 1.985 123.278 121.223 0.118 0.000 2.485 765 L HA 0.185 4.532 4.340 0.012 0.000 0.279 765 L C 0.964 177.740 176.870 -0.156 0.000 1.124 765 L CA 0.417 54.996 54.840 -0.434 0.000 0.888 765 L CB 0.336 42.066 42.059 -0.547 0.000 1.217 765 L HN 0.703 nan 8.230 nan 0.000 0.464 766 S N 2.524 118.140 115.700 -0.141 0.000 2.458 766 S HA 0.191 4.669 4.470 0.012 0.000 0.223 766 S C 0.643 175.124 174.600 -0.199 0.000 1.019 766 S CA -0.007 58.143 58.200 -0.084 0.000 0.937 766 S CB 0.034 63.234 63.200 -0.000 0.000 0.788 766 S HN 0.667 nan 8.310 nan 0.000 0.511 767 Q N -0.363 119.263 119.800 -0.290 0.000 2.522 767 Q HA 0.689 5.036 4.340 0.012 0.000 0.285 767 Q C -1.952 173.703 176.000 -0.575 0.000 0.982 767 Q CA -0.312 55.183 55.803 -0.513 0.000 0.805 767 Q CB 1.778 30.078 28.738 -0.731 0.000 1.457 767 Q HN 0.412 nan 8.270 nan 0.000 0.394 768 M N 1.373 120.515 119.600 -0.763 0.000 2.484 768 M HA 0.581 5.068 4.480 0.012 0.000 0.289 768 M C -1.523 174.385 176.300 -0.653 0.000 1.206 768 M CA -0.414 54.507 55.300 -0.632 0.000 0.892 768 M CB 2.275 34.453 32.600 -0.703 0.000 1.712 768 M HN 0.486 nan 8.290 nan 0.000 0.462 769 W N 3.434 124.485 121.300 -0.414 0.000 2.785 769 W HA 0.615 5.283 4.660 0.012 0.000 0.333 769 W C -1.351 174.974 176.519 -0.323 0.000 1.062 769 W CA -0.643 56.527 57.345 -0.292 0.000 1.233 769 W CB 1.585 30.911 29.460 -0.223 0.000 1.413 769 W HN 0.463 nan 8.180 nan 0.000 0.489 770 I N 3.029 123.589 120.570 -0.016 0.000 2.382 770 I HA 0.438 4.616 4.170 0.012 0.000 0.285 770 I C 0.837 176.940 176.117 -0.024 0.000 1.007 770 I CA 0.330 61.587 61.300 -0.072 0.000 1.142 770 I CB 1.102 39.044 38.000 -0.097 0.000 1.289 770 I HN 0.743 nan 8.210 nan 0.000 0.453 771 G N 5.658 114.438 108.800 -0.034 0.000 2.536 771 G HA2 -0.255 3.712 3.960 0.012 0.000 0.280 771 G HA3 -0.255 3.712 3.960 0.012 0.000 0.280 771 G C 0.232 175.136 174.900 0.007 0.000 1.152 771 G CA 0.311 45.396 45.100 -0.026 0.000 0.970 771 G HN 0.592 nan 8.290 nan 0.000 0.549 772 D N 1.173 121.591 120.400 0.030 0.000 2.440 772 D HA 0.281 4.928 4.640 0.012 0.000 0.216 772 D C 0.522 176.959 176.300 0.228 0.000 1.150 772 D CA 0.142 54.192 54.000 0.082 0.000 0.832 772 D CB 0.730 41.539 40.800 0.014 0.000 0.992 772 D HN 0.146 nan 8.370 nan 0.000 0.502 773 K N 1.399 121.887 120.400 0.148 0.000 2.211 773 K HA 0.227 4.554 4.320 0.012 0.000 0.275 773 K C 0.133 176.705 176.600 -0.046 0.000 1.024 773 K CA -0.355 55.975 56.287 0.072 0.000 0.887 773 K CB 1.315 33.810 32.500 -0.009 0.000 1.084 773 K HN -0.202 nan 8.250 nan 0.000 0.463 774 K N 2.611 122.886 120.400 -0.207 0.000 2.451 774 K HA -0.032 4.295 4.320 0.012 0.000 0.280 774 K C 0.700 177.079 176.600 -0.367 0.000 1.020 774 K CA 0.118 56.049 56.287 -0.595 0.000 1.008 774 K CB 0.629 32.854 32.500 -0.458 0.000 0.917 774 K HN 0.442 nan 8.250 nan 0.000 0.478 775 Q N 1.686 121.234 119.800 -0.420 0.000 2.378 775 Q HA 0.168 4.515 4.340 0.012 0.000 0.216 775 Q C 0.148 176.045 176.000 -0.172 0.000 0.892 775 Q CA 0.549 56.234 55.803 -0.197 0.000 0.931 775 Q CB 0.434 29.087 28.738 -0.142 0.000 1.086 775 Q HN 0.500 nan 8.270 nan 0.000 0.528 776 L N 0.146 121.202 121.223 -0.278 0.000 2.370 776 L HA 0.389 4.736 4.340 0.012 0.000 0.266 776 L C 0.905 177.634 176.870 -0.235 0.000 1.002 776 L CA -0.440 54.267 54.840 -0.222 0.000 0.818 776 L CB 1.799 43.719 42.059 -0.231 0.000 1.325 776 L HN -0.121 nan 8.230 nan 0.000 0.418 777 L N 0.204 121.286 121.223 -0.235 0.000 2.286 777 L HA 0.164 4.511 4.340 0.012 0.000 0.203 777 L C 0.820 177.565 176.870 -0.208 0.000 1.068 777 L CA 0.606 55.313 54.840 -0.221 0.000 0.811 777 L CB 0.291 42.202 42.059 -0.247 0.000 0.989 777 L HN 0.774 nan 8.230 nan 0.000 0.467 778 T N -2.739 111.660 114.554 -0.259 0.000 2.893 778 T HA 0.559 4.917 4.350 0.012 0.000 0.291 778 T C -2.789 171.828 174.700 -0.139 0.000 1.028 778 T CA -2.188 59.811 62.100 -0.169 0.000 0.995 778 T CB 2.184 70.964 68.868 -0.146 0.000 1.051 778 T HN -0.279 nan 8.240 nan 0.000 0.470 779 P HA 0.252 nan 4.420 nan 0.000 0.272 779 P C -0.574 176.680 177.300 -0.076 0.000 1.240 779 P CA -0.794 62.265 63.100 -0.069 0.000 0.791 779 P CB 0.297 31.988 31.700 -0.016 0.000 0.978 780 L N 2.762 123.974 121.223 -0.018 0.000 2.407 780 L HA 0.214 4.561 4.340 0.012 0.000 0.282 780 L C 0.230 177.031 176.870 -0.115 0.000 1.110 780 L CA 0.649 55.512 54.840 0.039 0.000 0.863 780 L CB -0.911 41.285 42.059 0.229 0.000 1.207 780 L HN 0.299 nan 8.230 nan 0.000 0.454 781 R N 2.609 122.953 120.500 -0.261 0.000 2.837 781 R HA 0.488 4.835 4.340 0.012 0.000 0.271 781 R C -0.927 175.228 176.300 -0.241 0.000 0.993 781 R CA -1.078 54.682 56.100 -0.567 0.000 0.931 781 R CB 1.147 30.979 30.300 -0.781 0.000 1.206 781 R HN 0.491 nan 8.270 nan 0.000 0.474 782 D N 1.102 121.427 120.400 -0.125 0.000 2.400 782 D HA 0.039 4.686 4.640 0.012 0.000 0.238 782 D C -0.447 175.515 176.300 -0.562 0.000 1.157 782 D CA 0.366 54.170 54.000 -0.327 0.000 0.889 782 D CB 0.630 41.196 40.800 -0.390 0.000 1.199 782 D HN 0.233 nan 8.370 nan 0.000 0.436 783 Q N 1.004 120.256 119.800 -0.913 0.000 2.274 783 Q HA 0.313 4.660 4.340 0.012 0.000 0.268 783 Q C -1.232 174.021 176.000 -1.245 0.000 1.015 783 Q CA -0.563 54.744 55.803 -0.827 0.000 0.775 783 Q CB 0.769 29.230 28.738 -0.462 0.000 1.256 783 Q HN 0.551 nan 8.270 nan 0.000 0.442 784 F N 0.739 120.285 119.950 -0.673 0.000 2.682 784 F HA 0.196 4.730 4.527 0.012 0.000 0.308 784 F C 0.791 176.123 175.800 -0.780 0.000 1.093 784 F CA -0.076 57.398 58.000 -0.876 0.000 1.244 784 F CB 1.463 39.583 39.000 -1.466 0.000 1.052 784 F HN 0.460 nan 8.300 nan 0.000 0.573 785 T N -0.882 113.337 114.554 -0.558 0.000 2.887 785 T HA 0.751 5.109 4.350 0.012 0.000 0.292 785 T C -0.658 173.757 174.700 -0.475 0.000 1.087 785 T CA -0.996 60.691 62.100 -0.688 0.000 1.009 785 T CB 2.784 71.127 68.868 -0.875 0.000 1.203 785 T HN 0.232 nan 8.240 nan 0.000 0.518 786 R N -0.056 120.205 120.500 -0.400 0.000 2.771 786 R HA 0.762 5.109 4.340 0.012 0.000 0.274 786 R C -0.821 175.549 176.300 0.116 0.000 0.987 786 R CA -1.153 54.870 56.100 -0.128 0.000 0.908 786 R CB 1.569 31.788 30.300 -0.135 0.000 1.213 786 R HN 0.852 nan 8.270 nan 0.000 0.468 787 A N 3.927 126.801 122.820 0.091 0.000 2.505 787 A HA 0.262 4.590 4.320 0.012 0.000 0.271 787 A C -1.947 175.723 177.584 0.143 0.000 1.112 787 A CA -1.260 50.833 52.037 0.094 0.000 0.781 787 A CB -0.514 18.479 19.000 -0.011 0.000 1.059 787 A HN 0.578 nan 8.150 nan 0.000 0.508 788 P HA 0.050 nan 4.420 nan 0.000 0.262 788 P C -0.191 177.239 177.300 0.216 0.000 1.182 788 P CA 0.477 63.759 63.100 0.303 0.000 0.761 788 P CB 0.365 32.272 31.700 0.345 0.000 0.795 789 L N 2.556 123.873 121.223 0.155 0.000 2.475 789 L HA 0.138 4.485 4.340 0.012 0.000 0.253 789 L C 1.912 178.800 176.870 0.030 0.000 1.198 789 L CA -0.458 54.404 54.840 0.037 0.000 0.814 789 L CB -0.111 41.898 42.059 -0.084 0.000 1.134 789 L HN 0.306 nan 8.230 nan 0.000 0.478 790 D N 0.449 120.796 120.400 -0.089 0.000 2.133 790 D HA -0.175 4.473 4.640 0.012 0.000 0.195 790 D C 1.562 177.798 176.300 -0.108 0.000 0.997 790 D CA 1.510 55.380 54.000 -0.216 0.000 0.840 790 D CB -0.016 40.566 40.800 -0.363 0.000 0.947 790 D HN 0.489 nan 8.370 nan 0.000 0.452 791 N N 0.955 119.609 118.700 -0.077 0.000 2.459 791 N HA -0.096 4.651 4.740 0.012 0.000 0.181 791 N C 1.071 176.605 175.510 0.040 0.000 1.046 791 N CA 0.622 53.658 53.050 -0.022 0.000 0.904 791 N CB -0.045 38.421 38.487 -0.036 0.000 0.964 791 N HN 0.268 nan 8.380 nan 0.000 0.444 792 D N 0.446 120.884 120.400 0.065 0.000 2.213 792 D HA 0.093 4.741 4.640 0.012 0.000 0.205 792 D C 2.002 178.349 176.300 0.079 0.000 0.961 792 D CA 0.284 54.352 54.000 0.114 0.000 0.853 792 D CB 0.208 41.148 40.800 0.233 0.000 0.967 792 D HN 0.278 nan 8.370 nan 0.000 0.496 793 I N 0.423 121.033 120.570 0.067 0.000 2.406 793 I HA 0.026 4.203 4.170 0.012 0.000 0.249 793 I C 1.786 177.931 176.117 0.046 0.000 1.122 793 I CA 0.616 61.946 61.300 0.048 0.000 1.431 793 I CB -0.336 37.672 38.000 0.014 0.000 1.087 793 I HN 0.046 nan 8.210 nan 0.000 0.424 794 G N 1.353 110.199 108.800 0.076 0.000 2.596 794 G HA2 -0.355 3.612 3.960 0.012 0.000 0.295 794 G HA3 -0.355 3.612 3.960 0.012 0.000 0.295 794 G C 0.673 175.693 174.900 0.200 0.000 1.240 794 G CA 0.759 45.948 45.100 0.148 0.000 0.985 794 G HN 0.528 nan 8.290 nan 0.000 0.555 795 V N -1.944 118.028 119.914 0.096 0.000 3.577 795 V HA 0.612 4.739 4.120 0.012 0.000 0.294 795 V C 1.213 177.295 176.094 -0.019 0.000 1.317 795 V CA 1.170 63.460 62.300 -0.016 0.000 1.169 795 V CB 0.005 31.742 31.823 -0.143 0.000 1.011 795 V HN 1.061 nan 8.190 nan 0.000 0.426 796 S N 1.298 117.003 115.700 0.008 0.000 2.549 796 S HA 0.325 4.803 4.470 0.012 0.000 0.286 796 S C -0.079 174.525 174.600 0.006 0.000 1.314 796 S CA 0.151 58.349 58.200 -0.003 0.000 1.062 796 S CB 0.278 63.475 63.200 -0.005 0.000 0.865 796 S HN 0.835 nan 8.310 nan 0.000 0.498 797 E N 1.270 121.469 120.200 -0.001 0.000 2.331 797 E HA 0.502 4.859 4.350 0.012 0.000 0.275 797 E C 0.393 176.998 176.600 0.010 0.000 0.895 797 E CA -0.535 55.870 56.400 0.009 0.000 0.753 797 E CB 1.537 31.235 29.700 -0.004 0.000 1.216 797 E HN 0.597 nan 8.360 nan 0.000 0.434 798 A N 1.594 124.426 122.820 0.021 0.000 1.908 798 A HA -0.205 4.122 4.320 0.012 0.000 0.218 798 A C 2.053 179.643 177.584 0.010 0.000 1.181 798 A CA 2.474 54.522 52.037 0.018 0.000 0.627 798 A CB -0.882 18.134 19.000 0.026 0.000 0.818 798 A HN 0.675 nan 8.150 nan 0.000 0.445 799 T N -1.520 113.039 114.554 0.009 0.000 2.977 799 T HA -0.132 4.226 4.350 0.012 0.000 0.271 799 T C 0.850 175.544 174.700 -0.010 0.000 1.105 799 T CA 1.430 63.531 62.100 0.002 0.000 1.116 799 T CB -0.260 68.609 68.868 0.003 0.000 0.878 799 T HN 0.614 nan 8.240 nan 0.000 0.509 800 R N 0.723 121.214 120.500 -0.015 0.000 3.207 800 R HA 0.185 4.533 4.340 0.012 0.000 0.238 800 R C -1.683 174.600 176.300 -0.028 0.000 1.724 800 R CA -0.696 55.387 56.100 -0.027 0.000 1.079 800 R CB -0.199 30.076 30.300 -0.042 0.000 1.503 800 R HN 0.144 nan 8.270 nan 0.000 0.471 801 I N 2.923 123.479 120.570 -0.022 0.000 2.556 801 I HA 0.075 4.252 4.170 0.012 0.000 0.284 801 I C 0.382 176.477 176.117 -0.036 0.000 1.114 801 I CA -0.079 61.207 61.300 -0.023 0.000 1.418 801 I CB 0.845 38.835 38.000 -0.016 0.000 1.394 801 I HN 0.528 nan 8.210 nan 0.000 0.552 802 D N 9.223 129.598 120.400 -0.042 0.000 2.454 802 D HA 0.317 4.964 4.640 0.012 0.000 0.225 802 D C -1.749 174.506 176.300 -0.075 0.000 1.081 802 D CA -2.162 51.804 54.000 -0.057 0.000 0.864 802 D CB 1.502 42.269 40.800 -0.055 0.000 1.040 802 D HN 0.174 nan 8.370 nan 0.000 0.517 803 P HA -0.126 nan 4.420 nan 0.000 0.221 803 P C 0.817 178.028 177.300 -0.149 0.000 1.145 803 P CA 0.765 63.808 63.100 -0.095 0.000 0.795 803 P CB 0.346 32.000 31.700 -0.077 0.000 0.775 804 N N -0.331 118.273 118.700 -0.161 0.000 2.424 804 N HA 0.069 4.816 4.740 0.012 0.000 0.178 804 N C 0.445 175.765 175.510 -0.318 0.000 1.060 804 N CA 0.041 52.950 53.050 -0.235 0.000 0.901 804 N CB -0.402 37.976 38.487 -0.182 0.000 0.979 804 N HN -0.042 nan 8.380 nan 0.000 0.451 805 A N -0.499 122.183 122.820 -0.231 0.000 2.445 805 A HA 0.099 4.427 4.320 0.012 0.000 0.242 805 A C 0.714 178.077 177.584 -0.367 0.000 1.075 805 A CA -0.353 51.535 52.037 -0.247 0.000 0.777 805 A CB -0.159 18.772 19.000 -0.115 0.000 1.013 805 A HN 0.513 nan 8.150 nan 0.000 0.493 806 W N 1.577 122.623 121.300 -0.423 0.000 2.317 806 W HA -0.212 4.455 4.660 0.012 0.000 0.318 806 W C 2.285 178.199 176.519 -1.008 0.000 1.227 806 W CA 1.911 58.727 57.345 -0.882 0.000 1.269 806 W CB -0.514 28.260 29.460 -1.145 0.000 1.155 806 W HN 0.564 nan 8.180 nan 0.000 0.484 807 V N 0.911 120.670 119.914 -0.258 0.000 2.317 807 V HA -0.328 3.799 4.120 0.012 0.000 0.251 807 V C 2.216 178.391 176.094 0.135 0.000 1.065 807 V CA 2.373 64.756 62.300 0.138 0.000 1.049 807 V CB -0.397 31.554 31.823 0.214 0.000 0.651 807 V HN 0.117 nan 8.190 nan 0.000 0.450 808 E N -0.275 119.912 120.200 -0.021 0.000 2.072 808 E HA -0.143 4.214 4.350 0.012 0.000 0.190 808 E C 2.375 178.944 176.600 -0.050 0.000 0.982 808 E CA 1.097 57.485 56.400 -0.019 0.000 0.803 808 E CB -0.354 29.305 29.700 -0.067 0.000 0.755 808 E HN 0.609 nan 8.360 nan 0.000 0.453 809 R N -0.335 120.061 120.500 -0.175 0.000 2.096 809 R HA -0.115 4.232 4.340 0.012 0.000 0.235 809 R C 2.240 178.487 176.300 -0.088 0.000 1.127 809 R CA 1.127 57.110 56.100 -0.194 0.000 0.968 809 R CB -0.123 29.939 30.300 -0.396 0.000 0.861 809 R HN 0.248 nan 8.270 nan 0.000 0.440 810 W N 1.411 122.687 121.300 -0.040 0.000 2.379 810 W HA -0.077 4.591 4.660 0.012 0.000 0.307 810 W C 1.924 178.393 176.519 -0.084 0.000 1.200 810 W CA 0.736 57.940 57.345 -0.235 0.000 1.297 810 W CB -0.644 28.836 29.460 0.033 0.000 1.140 810 W HN 0.086 nan 8.180 nan 0.000 0.507 811 K N 0.154 120.775 120.400 0.367 0.000 2.026 811 K HA -0.112 4.215 4.320 0.012 0.000 0.208 811 K C 2.254 178.913 176.600 0.098 0.000 1.048 811 K CA 1.757 58.209 56.287 0.275 0.000 0.929 811 K CB -0.697 31.911 32.500 0.180 0.000 0.713 811 K HN -0.018 nan 8.250 nan 0.000 0.439 812 A N 1.567 124.420 122.820 0.054 0.000 1.940 812 A HA -0.148 4.179 4.320 0.012 0.000 0.219 812 A C 2.302 179.889 177.584 0.004 0.000 1.176 812 A CA 1.948 54.000 52.037 0.025 0.000 0.631 812 A CB -0.636 18.367 19.000 0.004 0.000 0.814 812 A HN 0.368 nan 8.150 nan 0.000 0.446 813 A N -2.135 120.667 122.820 -0.031 0.000 2.167 813 A HA 0.377 4.704 4.320 0.012 0.000 0.214 813 A C 1.906 179.429 177.584 -0.102 0.000 1.151 813 A CA 1.353 53.384 52.037 -0.010 0.000 0.735 813 A CB -0.851 18.134 19.000 -0.024 0.000 0.802 813 A HN 1.937 nan 8.150 nan 0.000 0.467 814 G N -1.933 106.710 108.800 -0.260 0.000 2.157 814 G HA2 -0.295 3.673 3.960 0.012 0.000 0.239 814 G HA3 -0.295 3.673 3.960 0.012 0.000 0.239 814 G C 0.636 175.534 174.900 -0.003 0.000 0.982 814 G CA 0.648 45.360 45.100 -0.647 0.000 0.650 814 G HN 0.723 nan 8.290 nan 0.000 0.527 815 H N -1.152 117.925 119.070 0.012 0.000 2.352 815 H HA -0.129 4.434 4.556 0.012 0.000 0.299 815 H C 2.236 177.587 175.328 0.037 0.000 1.097 815 H CA 1.684 57.769 56.048 0.061 0.000 1.311 815 H CB 0.005 29.740 29.762 -0.045 0.000 1.377 815 H HN 0.583 nan 8.280 nan 0.000 0.504 816 Y N 1.119 121.554 120.300 0.225 0.000 2.509 816 Y HA -0.130 4.427 4.550 0.012 0.000 0.293 816 Y C 2.393 178.377 175.900 0.140 0.000 1.133 816 Y CA 0.795 58.981 58.100 0.144 0.000 1.283 816 Y CB 0.257 38.783 38.460 0.111 0.000 1.001 816 Y HN 0.404 nan 8.280 nan 0.000 0.555 817 Q N -0.326 119.635 119.800 0.268 0.000 2.189 817 Q HA 0.349 4.696 4.340 0.012 0.000 0.223 817 Q C 0.534 176.716 176.000 0.303 0.000 0.828 817 Q CA 0.099 56.053 55.803 0.252 0.000 0.967 817 Q CB 0.167 29.041 28.738 0.225 0.000 1.139 817 Q HN 0.183 nan 8.270 nan 0.000 0.497 818 A N 1.973 125.001 122.820 0.346 0.000 2.540 818 A HA 0.099 4.426 4.320 0.012 0.000 0.239 818 A C -0.203 177.666 177.584 0.475 0.000 1.061 818 A CA 0.208 52.508 52.037 0.438 0.000 0.758 818 A CB 0.156 19.472 19.000 0.527 0.000 0.991 818 A HN 0.326 nan 8.150 nan 0.000 0.502 819 E N 1.121 121.503 120.200 0.302 0.000 2.179 819 E HA 0.477 4.834 4.350 0.012 0.000 0.275 819 E C -0.154 176.373 176.600 -0.123 0.000 0.945 819 E CA -0.610 55.887 56.400 0.162 0.000 0.792 819 E CB 1.876 31.653 29.700 0.129 0.000 1.125 819 E HN 0.785 nan 8.360 nan 0.000 0.397 820 A N 2.195 124.847 122.820 -0.280 0.000 2.488 820 A HA 0.449 4.777 4.320 0.012 0.000 0.249 820 A C -0.153 177.283 177.584 -0.248 0.000 1.083 820 A CA -0.062 51.572 52.037 -0.671 0.000 0.768 820 A CB 0.251 19.002 19.000 -0.416 0.000 1.017 820 A HN 0.586 nan 8.150 nan 0.000 0.496 821 A N 2.770 125.430 122.820 -0.267 0.000 2.318 821 A HA 0.576 4.904 4.320 0.012 0.000 0.317 821 A C -0.448 177.061 177.584 -0.125 0.000 1.159 821 A CA -0.579 51.389 52.037 -0.115 0.000 0.799 821 A CB 0.543 19.493 19.000 -0.083 0.000 1.194 821 A HN 1.208 nan 8.150 nan 0.000 0.479 822 L N 3.441 124.575 121.223 -0.148 0.000 2.433 822 L HA 0.292 4.640 4.340 0.012 0.000 0.275 822 L C 0.453 177.191 176.870 -0.221 0.000 1.128 822 L CA 0.370 55.017 54.840 -0.321 0.000 0.875 822 L CB 0.147 42.035 42.059 -0.286 0.000 1.171 822 L HN 0.766 nan 8.230 nan 0.000 0.463 823 L N 3.488 124.569 121.223 -0.237 0.000 2.470 823 L HA 0.330 4.678 4.340 0.012 0.000 0.219 823 L C 0.562 177.366 176.870 -0.110 0.000 1.071 823 L CA 0.044 54.811 54.840 -0.122 0.000 0.850 823 L CB -0.061 41.961 42.059 -0.061 0.000 1.040 823 L HN 0.691 nan 8.230 nan 0.000 0.475 824 Q N -0.322 119.384 119.800 -0.156 0.000 2.438 824 Q HA 0.340 4.688 4.340 0.012 0.000 0.272 824 Q C -2.141 173.804 176.000 -0.092 0.000 0.994 824 Q CA -0.493 55.257 55.803 -0.089 0.000 0.887 824 Q CB 3.089 31.802 28.738 -0.041 0.000 1.432 824 Q HN 0.066 nan 8.270 nan 0.000 0.392 825 C N 3.104 122.395 119.300 -0.016 0.000 2.887 825 C HA 0.737 5.205 4.460 0.012 0.000 0.379 825 C C -0.852 174.249 174.990 0.185 0.000 1.064 825 C CA 0.336 59.392 59.018 0.063 0.000 1.282 825 C CB 0.454 28.221 27.740 0.045 0.000 1.749 825 C HN 0.826 nan 8.230 nan 0.000 0.489 826 T N 2.343 116.959 114.554 0.104 0.000 2.901 826 T HA 0.916 5.274 4.350 0.012 0.000 0.293 826 T C -0.488 174.016 174.700 -0.327 0.000 1.084 826 T CA -0.354 61.763 62.100 0.028 0.000 1.008 826 T CB 1.960 70.813 68.868 -0.024 0.000 1.170 826 T HN 1.651 nan 8.240 nan 0.000 0.509 827 A N 1.219 123.666 122.820 -0.622 0.000 2.393 827 A HA 0.746 5.074 4.320 0.012 0.000 0.306 827 A C -1.286 176.036 177.584 -0.436 0.000 1.050 827 A CA -0.729 50.778 52.037 -0.885 0.000 0.724 827 A CB 1.208 19.118 19.000 -1.817 0.000 1.248 827 A HN 0.867 nan 8.150 nan 0.000 0.424 828 D N 1.509 121.714 120.400 -0.326 0.000 2.964 828 D HA 0.386 5.033 4.640 0.012 0.000 0.234 828 D C -1.050 175.150 176.300 -0.166 0.000 1.223 828 D CA -0.037 53.846 54.000 -0.195 0.000 0.889 828 D CB 2.308 43.026 40.800 -0.137 0.000 1.609 828 D HN 0.435 nan 8.370 nan 0.000 0.523 829 T N 2.376 116.856 114.554 -0.124 0.000 2.738 829 T HA 0.396 4.753 4.350 0.012 0.000 0.298 829 T C 0.920 175.579 174.700 -0.069 0.000 0.962 829 T CA -0.446 61.598 62.100 -0.094 0.000 0.972 829 T CB 0.725 69.544 68.868 -0.082 0.000 0.928 829 T HN 0.118 nan 8.240 nan 0.000 0.474 830 L N 1.612 122.798 121.223 -0.062 0.000 2.657 830 L HA 0.549 4.896 4.340 0.012 0.000 0.240 830 L C 2.188 179.039 176.870 -0.031 0.000 1.151 830 L CA -1.044 53.768 54.840 -0.046 0.000 0.831 830 L CB -0.047 41.984 42.059 -0.046 0.000 1.539 830 L HN 0.646 nan 8.230 nan 0.000 0.511 831 A N 0.655 123.460 122.820 -0.024 0.000 1.851 831 A HA -0.189 4.138 4.320 0.012 0.000 0.216 831 A C 1.227 178.805 177.584 -0.010 0.000 1.195 831 A CA 2.158 54.185 52.037 -0.016 0.000 0.622 831 A CB -0.572 18.419 19.000 -0.015 0.000 0.831 831 A HN 0.897 nan 8.150 nan 0.000 0.444 832 D N -2.028 118.364 120.400 -0.013 0.000 2.535 832 D HA 0.568 5.216 4.640 0.012 0.000 0.229 832 D C 0.034 176.327 176.300 -0.012 0.000 1.238 832 D CA 0.675 54.670 54.000 -0.007 0.000 0.824 832 D CB -0.059 40.734 40.800 -0.012 0.000 1.045 832 D HN 0.523 nan 8.370 nan 0.000 0.500 833 A N -0.620 122.185 122.820 -0.025 0.000 2.581 833 A HA 0.635 4.962 4.320 0.012 0.000 0.290 833 A C -1.683 175.860 177.584 -0.069 0.000 1.119 833 A CA -0.704 51.304 52.037 -0.048 0.000 0.670 833 A CB 1.524 20.490 19.000 -0.056 0.000 1.280 833 A HN -0.007 nan 8.150 nan 0.000 0.425 834 V N 0.488 120.337 119.914 -0.107 0.000 2.628 834 V HA 0.650 4.778 4.120 0.012 0.000 0.306 834 V C -1.003 174.986 176.094 -0.175 0.000 1.045 834 V CA -0.476 61.740 62.300 -0.140 0.000 0.905 834 V CB 1.502 33.240 31.823 -0.140 0.000 0.997 834 V HN 0.896 nan 8.190 nan 0.000 0.436 835 L N 6.121 127.230 121.223 -0.190 0.000 2.325 835 L HA 0.647 4.994 4.340 0.012 0.000 0.281 835 L C -0.931 175.787 176.870 -0.253 0.000 1.004 835 L CA 0.040 54.774 54.840 -0.176 0.000 0.823 835 L CB 1.309 43.297 42.059 -0.119 0.000 1.236 835 L HN 0.409 nan 8.230 nan 0.000 0.415 836 I N 4.304 124.715 120.570 -0.265 0.000 2.354 836 I HA 0.405 4.582 4.170 0.012 0.000 0.292 836 I C -0.105 175.955 176.117 -0.095 0.000 0.989 836 I CA -0.193 60.890 61.300 -0.362 0.000 1.188 836 I CB 1.530 39.047 38.000 -0.806 0.000 1.342 836 I HN 0.586 nan 8.210 nan 0.000 0.457 837 T N 4.902 119.404 114.554 -0.087 0.000 2.807 837 T HA 0.610 4.967 4.350 0.012 0.000 0.279 837 T C 0.155 174.889 174.700 0.057 0.000 0.993 837 T CA -0.489 61.622 62.100 0.017 0.000 0.970 837 T CB 1.763 70.621 68.868 -0.017 0.000 0.950 837 T HN 0.785 nan 8.240 nan 0.000 0.441 838 T N -0.309 114.321 114.554 0.127 0.000 2.906 838 T HA 0.878 5.235 4.350 0.012 0.000 0.295 838 T C -1.241 173.519 174.700 0.099 0.000 1.075 838 T CA -0.973 61.189 62.100 0.103 0.000 1.005 838 T CB 1.990 70.981 68.868 0.204 0.000 1.136 838 T HN 0.783 nan 8.240 nan 0.000 0.498 839 A N 1.531 124.339 122.820 -0.020 0.000 2.488 839 A HA 0.786 5.113 4.320 0.012 0.000 0.298 839 A C -1.472 176.039 177.584 -0.121 0.000 1.044 839 A CA -0.756 51.308 52.037 0.046 0.000 0.693 839 A CB 1.023 20.050 19.000 0.045 0.000 1.272 839 A HN 1.026 nan 8.150 nan 0.000 0.402 840 H N -0.255 118.876 119.070 0.102 0.000 2.928 840 H HA 0.793 5.356 4.556 0.012 0.000 0.371 840 H C -0.119 175.222 175.328 0.022 0.000 1.186 840 H CA 0.308 56.337 56.048 -0.031 0.000 1.134 840 H CB 2.162 31.832 29.762 -0.154 0.000 1.824 840 H HN 1.036 nan 8.280 nan 0.000 0.554 841 A N 1.417 124.230 122.820 -0.011 0.000 2.365 841 A HA 0.451 4.778 4.320 0.012 0.000 0.318 841 A C -1.375 176.125 177.584 -0.140 0.000 1.091 841 A CA -0.710 51.373 52.037 0.075 0.000 0.763 841 A CB 1.197 20.244 19.000 0.079 0.000 1.248 841 A HN 0.568 nan 8.150 nan 0.000 0.442 842 W N 1.953 123.358 121.300 0.175 0.000 2.349 842 W HA 0.431 5.099 4.660 0.012 0.000 0.309 842 W C -0.368 176.181 176.519 0.050 0.000 1.083 842 W CA -0.092 57.355 57.345 0.169 0.000 1.224 842 W CB 1.615 31.233 29.460 0.264 0.000 1.256 842 W HN 0.788 nan 8.180 nan 0.000 0.461 843 Q N 1.156 121.076 119.800 0.200 0.000 2.416 843 Q HA 0.450 4.798 4.340 0.012 0.000 0.279 843 Q C -0.805 175.334 176.000 0.232 0.000 1.101 843 Q CA -0.814 55.077 55.803 0.148 0.000 0.830 843 Q CB 3.385 32.166 28.738 0.072 0.000 1.402 843 Q HN 0.359 nan 8.270 nan 0.000 0.445 844 H N 1.329 120.439 119.070 0.066 0.000 3.224 844 H HA 0.074 4.637 4.556 0.012 0.000 0.331 844 H C -0.958 174.405 175.328 0.057 0.000 1.002 844 H CA -0.111 55.985 56.048 0.080 0.000 1.473 844 H CB 0.955 30.781 29.762 0.106 0.000 1.830 844 H HN 0.800 nan 8.280 nan 0.000 0.485 845 Q N 3.205 122.724 119.800 -0.468 0.000 2.439 845 Q HA -0.237 4.110 4.340 0.012 0.000 0.325 845 Q C 0.904 176.834 176.000 -0.117 0.000 1.372 845 Q CA 1.143 56.760 55.803 -0.311 0.000 0.909 845 Q CB -1.446 27.052 28.738 -0.401 0.000 1.167 845 Q HN 1.164 nan 8.270 nan 0.000 0.418 846 G N -0.291 108.472 108.800 -0.062 0.000 2.179 846 G HA2 -0.353 3.614 3.960 0.012 0.000 0.260 846 G HA3 -0.353 3.614 3.960 0.012 0.000 0.260 846 G C 0.012 174.914 174.900 0.003 0.000 0.977 846 G CA 0.632 45.720 45.100 -0.021 0.000 0.641 846 G HN 0.374 nan 8.290 nan 0.000 0.533 847 K N 1.173 121.585 120.400 0.021 0.000 2.206 847 K HA 0.651 4.978 4.320 0.012 0.000 0.264 847 K C -0.035 176.581 176.600 0.027 0.000 0.967 847 K CA -0.249 56.057 56.287 0.031 0.000 0.844 847 K CB 1.070 33.603 32.500 0.054 0.000 1.099 847 K HN -0.030 nan 8.250 nan 0.000 0.441 848 T N 6.123 120.683 114.554 0.010 0.000 2.723 848 T HA 0.205 4.562 4.350 0.012 0.000 0.297 848 T C 1.051 175.703 174.700 -0.081 0.000 0.925 848 T CA -0.293 61.809 62.100 0.004 0.000 1.030 848 T CB 0.204 69.089 68.868 0.028 0.000 0.905 848 T HN 0.544 nan 8.240 nan 0.000 0.502 849 L N 2.869 123.969 121.223 -0.205 0.000 2.102 849 L HA 0.325 4.673 4.340 0.012 0.000 0.202 849 L C 0.035 176.419 176.870 -0.810 0.000 1.076 849 L CA 0.931 55.380 54.840 -0.652 0.000 0.761 849 L CB -0.031 41.309 42.059 -1.197 0.000 0.921 849 L HN 0.498 nan 8.230 nan 0.000 0.444 850 F N -1.379 118.528 119.950 -0.072 0.000 2.613 850 F HA 0.598 5.132 4.527 0.012 0.000 0.314 850 F C -0.507 175.375 175.800 0.138 0.000 1.075 850 F CA -0.892 57.001 58.000 -0.179 0.000 0.945 850 F CB 1.878 40.342 39.000 -0.894 0.000 1.310 850 F HN -0.344 nan 8.300 nan 0.000 0.467 851 I N 1.272 122.050 120.570 0.346 0.000 2.498 851 I HA 0.387 4.564 4.170 0.012 0.000 0.290 851 I C -0.826 175.550 176.117 0.433 0.000 1.032 851 I CA -0.575 60.963 61.300 0.397 0.000 1.073 851 I CB 2.222 40.373 38.000 0.252 0.000 1.251 851 I HN 0.534 nan 8.210 nan 0.000 0.426 852 S N 6.786 122.843 115.700 0.594 0.000 2.498 852 S HA 0.592 5.069 4.470 0.012 0.000 0.317 852 S C -0.718 174.119 174.600 0.395 0.000 1.090 852 S CA -0.693 57.819 58.200 0.520 0.000 1.089 852 S CB 0.570 64.175 63.200 0.676 0.000 0.997 852 S HN 0.572 nan 8.310 nan 0.000 0.470 853 R N 3.598 124.253 120.500 0.258 0.000 2.480 853 R HA 0.580 4.927 4.340 0.012 0.000 0.306 853 R C -0.795 175.574 176.300 0.116 0.000 0.958 853 R CA -0.829 55.383 56.100 0.186 0.000 0.861 853 R CB 1.899 32.282 30.300 0.138 0.000 1.171 853 R HN 0.572 nan 8.270 nan 0.000 0.445 854 K N 0.760 121.222 120.400 0.103 0.000 2.466 854 K HA 0.544 4.871 4.320 0.012 0.000 0.260 854 K C -0.769 175.816 176.600 -0.026 0.000 1.011 854 K CA -1.036 55.233 56.287 -0.031 0.000 0.871 854 K CB 2.377 34.787 32.500 -0.150 0.000 1.404 854 K HN 0.618 nan 8.250 nan 0.000 0.450 855 T N -1.515 112.953 114.554 -0.144 0.000 2.893 855 T HA 0.558 4.915 4.350 0.012 0.000 0.293 855 T C -1.319 173.271 174.700 -0.182 0.000 1.027 855 T CA -0.803 61.259 62.100 -0.063 0.000 0.988 855 T CB 0.510 69.361 68.868 -0.028 0.000 1.043 855 T HN 0.418 nan 8.240 nan 0.000 0.461 856 Y N 0.745 121.012 120.300 -0.055 0.000 2.331 856 Y HA 0.648 5.205 4.550 0.012 0.000 0.334 856 Y C 0.417 176.239 175.900 -0.129 0.000 0.960 856 Y CA -1.243 56.830 58.100 -0.044 0.000 1.130 856 Y CB 1.810 40.275 38.460 0.008 0.000 1.164 856 Y HN 0.729 nan 8.280 nan 0.000 0.458 857 R N 4.535 125.059 120.500 0.041 0.000 2.320 857 R HA 0.638 4.986 4.340 0.012 0.000 0.319 857 R C -1.789 174.460 176.300 -0.085 0.000 0.969 857 R CA -0.435 55.642 56.100 -0.040 0.000 0.857 857 R CB 0.427 30.711 30.300 -0.026 0.000 1.160 857 R HN 0.825 nan 8.270 nan 0.000 0.491 858 I N 5.278 125.737 120.570 -0.185 0.000 2.330 858 I HA 0.183 4.360 4.170 0.012 0.000 0.289 858 I C -0.081 175.925 176.117 -0.186 0.000 1.001 858 I CA -0.578 60.541 61.300 -0.303 0.000 1.193 858 I CB 1.375 38.976 38.000 -0.665 0.000 1.345 858 I HN 0.681 nan 8.210 nan 0.000 0.461 859 D N 4.423 124.758 120.400 -0.108 0.000 2.494 859 D HA 0.245 4.892 4.640 0.012 0.000 0.259 859 D C 1.193 177.493 176.300 -0.001 0.000 1.109 859 D CA -0.805 53.170 54.000 -0.042 0.000 1.040 859 D CB 1.019 41.812 40.800 -0.012 0.000 1.175 859 D HN 0.469 nan 8.370 nan 0.000 0.584 860 G N -1.327 107.485 108.800 0.021 0.000 2.625 860 G HA2 -0.121 3.846 3.960 0.012 0.000 0.214 860 G HA3 -0.121 3.846 3.960 0.012 0.000 0.214 860 G C 1.090 176.041 174.900 0.086 0.000 1.132 860 G CA 0.896 46.028 45.100 0.053 0.000 0.782 860 G HN 0.530 nan 8.290 nan 0.000 0.538 861 S N -1.315 114.433 115.700 0.079 0.000 2.575 861 S HA 0.395 4.872 4.470 0.012 0.000 0.215 861 S C 1.759 176.433 174.600 0.124 0.000 0.966 861 S CA 0.880 59.143 58.200 0.106 0.000 0.911 861 S CB 0.175 63.432 63.200 0.095 0.000 0.780 861 S HN 1.342 nan 8.310 nan 0.000 0.514 862 G N 0.403 109.286 108.800 0.138 0.000 2.176 862 G HA2 -0.213 3.755 3.960 0.012 0.000 0.232 862 G HA3 -0.213 3.755 3.960 0.012 0.000 0.232 862 G C -0.205 174.839 174.900 0.240 0.000 0.986 862 G CA -0.155 45.083 45.100 0.230 0.000 0.643 862 G HN 0.582 nan 8.290 nan 0.000 0.522 863 Q N 0.004 119.891 119.800 0.144 0.000 2.243 863 Q HA 0.635 4.983 4.340 0.012 0.000 0.252 863 Q C 0.222 176.273 176.000 0.085 0.000 0.909 863 Q CA -0.222 55.669 55.803 0.147 0.000 0.922 863 Q CB 1.502 30.317 28.738 0.128 0.000 1.215 863 Q HN 0.409 nan 8.270 nan 0.000 0.427 864 M N 2.467 122.164 119.600 0.161 0.000 2.047 864 M HA 0.473 4.960 4.480 0.012 0.000 0.342 864 M C -1.296 175.123 176.300 0.197 0.000 1.058 864 M CA -0.493 54.877 55.300 0.116 0.000 0.991 864 M CB 0.669 33.340 32.600 0.118 0.000 1.474 864 M HN 0.696 nan 8.290 nan 0.000 0.419 865 A N 6.964 129.857 122.820 0.122 0.000 2.260 865 A HA 0.671 4.998 4.320 0.012 0.000 0.308 865 A C -0.776 176.855 177.584 0.079 0.000 1.254 865 A CA -0.577 51.528 52.037 0.114 0.000 0.874 865 A CB 0.145 19.190 19.000 0.074 0.000 1.153 865 A HN 0.923 nan 8.150 nan 0.000 0.527 866 I N 2.197 122.804 120.570 0.061 0.000 2.378 866 I HA 0.344 4.521 4.170 0.012 0.000 0.291 866 I C -0.054 175.971 176.117 -0.153 0.000 0.992 866 I CA -0.127 61.114 61.300 -0.099 0.000 1.154 866 I CB 2.276 40.238 38.000 -0.063 0.000 1.315 866 I HN 0.500 nan 8.210 nan 0.000 0.448 867 T N 5.739 120.162 114.554 -0.219 0.000 2.792 867 T HA 0.572 4.929 4.350 0.012 0.000 0.280 867 T C -0.420 174.100 174.700 -0.300 0.000 0.990 867 T CA -0.464 61.512 62.100 -0.207 0.000 0.960 867 T CB 1.675 70.511 68.868 -0.054 0.000 0.939 867 T HN 0.204 nan 8.240 nan 0.000 0.439 868 V N 3.641 123.260 119.914 -0.492 0.000 2.540 868 V HA 0.519 4.647 4.120 0.012 0.000 0.302 868 V C -0.713 175.218 176.094 -0.272 0.000 1.035 868 V CA -0.925 61.102 62.300 -0.455 0.000 0.873 868 V CB 2.046 33.347 31.823 -0.869 0.000 0.992 868 V HN 0.844 nan 8.190 nan 0.000 0.428 869 D N 3.318 123.716 120.400 -0.004 0.000 2.505 869 D HA 0.494 5.141 4.640 0.012 0.000 0.250 869 D C -1.061 175.355 176.300 0.193 0.000 1.164 869 D CA -0.108 53.984 54.000 0.153 0.000 0.870 869 D CB 2.739 43.659 40.800 0.199 0.000 1.160 869 D HN 0.270 nan 8.370 nan 0.000 0.549 870 V N 2.324 122.389 119.914 0.252 0.000 2.513 870 V HA 0.274 4.401 4.120 0.012 0.000 0.299 870 V C 0.132 176.375 176.094 0.249 0.000 1.035 870 V CA -0.696 61.772 62.300 0.281 0.000 0.889 870 V CB 2.398 34.431 31.823 0.349 0.000 0.988 870 V HN 0.350 nan 8.190 nan 0.000 0.440 871 E N 2.744 123.076 120.200 0.220 0.000 2.151 871 E HA 0.558 4.915 4.350 0.012 0.000 0.275 871 E C -1.417 175.303 176.600 0.200 0.000 0.936 871 E CA -0.520 55.988 56.400 0.180 0.000 0.777 871 E CB 2.393 32.180 29.700 0.145 0.000 1.108 871 E HN 0.420 nan 8.360 nan 0.000 0.401 872 V N 2.575 122.612 119.914 0.205 0.000 2.409 872 V HA 0.347 4.474 4.120 0.012 0.000 0.291 872 V C 0.250 176.434 176.094 0.150 0.000 1.020 872 V CA -0.861 61.583 62.300 0.239 0.000 0.848 872 V CB 1.335 33.347 31.823 0.315 0.000 0.990 872 V HN 0.821 nan 8.190 nan 0.000 0.430 873 A N 3.701 126.554 122.820 0.055 0.000 2.531 873 A HA 0.273 4.600 4.320 0.012 0.000 0.236 873 A C 1.612 179.264 177.584 0.113 0.000 1.062 873 A CA 0.641 52.709 52.037 0.053 0.000 0.760 873 A CB 0.276 19.271 19.000 -0.008 0.000 0.995 873 A HN 1.301 nan 8.150 nan 0.000 0.501 874 S N 0.740 116.504 115.700 0.106 0.000 2.428 874 S HA -0.130 4.348 4.470 0.012 0.000 0.230 874 S C 0.940 175.617 174.600 0.128 0.000 1.014 874 S CA 1.227 59.511 58.200 0.140 0.000 0.957 874 S CB -0.287 62.978 63.200 0.109 0.000 0.784 874 S HN 0.817 nan 8.310 nan 0.000 0.499 875 D N 0.573 121.023 120.400 0.083 0.000 2.340 875 D HA 0.104 4.751 4.640 0.012 0.000 0.220 875 D C 0.632 176.969 176.300 0.061 0.000 1.039 875 D CA 0.148 54.184 54.000 0.058 0.000 0.866 875 D CB -0.651 40.172 40.800 0.038 0.000 0.913 875 D HN 0.315 nan 8.370 nan 0.000 0.523 876 T N 1.664 116.276 114.554 0.097 0.000 2.909 876 T HA 0.337 4.695 4.350 0.012 0.000 0.289 876 T C -2.542 172.282 174.700 0.206 0.000 1.005 876 T CA -1.835 60.350 62.100 0.142 0.000 1.084 876 T CB 1.039 69.988 68.868 0.135 0.000 0.975 876 T HN -0.127 nan 8.240 nan 0.000 0.509 877 P HA 0.088 nan 4.420 nan 0.000 0.266 877 P C -0.596 177.059 177.300 0.592 0.000 1.195 877 P CA 0.041 63.294 63.100 0.255 0.000 0.768 877 P CB -0.042 31.816 31.700 0.262 0.000 0.838 878 H N 3.531 122.985 119.070 0.640 0.000 3.125 878 H HA 0.048 4.611 4.556 0.012 0.000 0.310 878 H C -1.607 174.070 175.328 0.582 0.000 0.980 878 H CA -1.234 55.115 56.048 0.502 0.000 1.422 878 H CB -0.569 29.406 29.762 0.355 0.000 1.432 878 H HN 0.380 nan 8.280 nan 0.000 0.577 879 P HA 0.031 nan 4.420 nan 0.000 0.276 879 P C 0.238 177.415 177.300 -0.205 0.000 1.244 879 P CA -0.349 62.807 63.100 0.093 0.000 0.801 879 P CB 1.086 32.688 31.700 -0.164 0.000 1.006 880 A N 2.852 125.252 122.820 -0.701 0.000 1.902 880 A HA -0.122 4.206 4.320 0.012 0.000 0.217 880 A C 1.029 178.212 177.584 -0.669 0.000 1.181 880 A CA 1.542 53.123 52.037 -0.760 0.000 0.623 880 A CB -0.598 17.737 19.000 -1.109 0.000 0.818 880 A HN 0.761 nan 8.150 nan 0.000 0.443 881 R N -3.263 116.876 120.500 -0.601 0.000 2.741 881 R HA 0.759 5.107 4.340 0.012 0.000 0.274 881 R C -1.547 174.478 176.300 -0.459 0.000 1.029 881 R CA -0.799 54.972 56.100 -0.548 0.000 0.880 881 R CB 0.934 30.889 30.300 -0.576 0.000 1.264 881 R HN 0.001 nan 8.270 nan 0.000 0.465 882 I N 0.936 121.267 120.570 -0.398 0.000 2.542 882 I HA 0.611 4.789 4.170 0.012 0.000 0.278 882 I C -0.620 175.234 176.117 -0.438 0.000 1.069 882 I CA -0.299 60.776 61.300 -0.375 0.000 1.100 882 I CB 1.803 39.661 38.000 -0.237 0.000 1.204 882 I HN 0.957 nan 8.210 nan 0.000 0.470 883 G N 5.926 114.400 108.800 -0.542 0.000 2.706 883 G HA2 0.754 4.721 3.960 0.012 0.000 0.307 883 G HA3 0.754 4.721 3.960 0.012 0.000 0.307 883 G C -1.762 172.939 174.900 -0.330 0.000 1.307 883 G CA -0.534 44.301 45.100 -0.441 0.000 0.790 883 G HN 0.249 nan 8.290 nan 0.000 0.503 884 L N 0.846 121.933 121.223 -0.227 0.000 2.371 884 L HA 0.630 4.977 4.340 0.012 0.000 0.262 884 L C -0.838 175.932 176.870 -0.167 0.000 1.006 884 L CA -1.116 53.635 54.840 -0.148 0.000 0.818 884 L CB 2.542 44.600 42.059 -0.002 0.000 1.354 884 L HN 0.798 nan 8.230 nan 0.000 0.415 885 N N 0.921 119.551 118.700 -0.116 0.000 2.610 885 N HA 0.707 5.455 4.740 0.012 0.000 0.264 885 N C -1.352 174.167 175.510 0.014 0.000 1.348 885 N CA -0.436 52.580 53.050 -0.056 0.000 0.819 885 N CB 2.579 41.038 38.487 -0.046 0.000 1.521 885 N HN 0.851 nan 8.380 nan 0.000 0.497 886 C N -1.003 118.330 119.300 0.054 0.000 3.275 886 C HA 0.527 4.994 4.460 0.012 0.000 0.345 886 C C -1.274 173.557 174.990 -0.264 0.000 1.257 886 C CA -0.851 58.142 59.018 -0.041 0.000 1.203 886 C CB 0.870 28.612 27.740 0.003 0.000 1.492 886 C HN 0.852 nan 8.230 nan 0.000 0.484 887 Q N 1.614 121.037 119.800 -0.628 0.000 2.372 887 Q HA 0.664 5.011 4.340 0.012 0.000 0.259 887 Q C -0.901 174.810 176.000 -0.482 0.000 0.993 887 Q CA -0.465 54.723 55.803 -1.026 0.000 0.854 887 Q CB 0.884 28.631 28.738 -1.653 0.000 1.231 887 Q HN 0.771 nan 8.270 nan 0.000 0.462 888 L N 2.558 123.608 121.223 -0.287 0.000 2.417 888 L HA 0.244 4.592 4.340 0.012 0.000 0.268 888 L C 1.264 178.072 176.870 -0.103 0.000 1.158 888 L CA -0.170 54.621 54.840 -0.082 0.000 0.819 888 L CB 0.697 42.826 42.059 0.117 0.000 1.112 888 L HN 0.823 nan 8.230 nan 0.000 0.458 889 A N 1.901 124.683 122.820 -0.063 0.000 1.930 889 A HA -0.131 4.196 4.320 0.012 0.000 0.217 889 A C 1.165 178.729 177.584 -0.034 0.000 1.175 889 A CA 0.776 52.767 52.037 -0.077 0.000 0.627 889 A CB -0.332 18.615 19.000 -0.088 0.000 0.815 889 A HN 0.808 nan 8.150 nan 0.000 0.443 890 Q N -0.273 119.539 119.800 0.020 0.000 2.394 890 Q HA 0.417 4.765 4.340 0.012 0.000 0.248 890 Q C -1.147 174.885 176.000 0.052 0.000 0.992 890 Q CA 0.195 56.002 55.803 0.007 0.000 0.888 890 Q CB 0.913 29.648 28.738 -0.005 0.000 1.257 890 Q HN 0.136 nan 8.270 nan 0.000 0.462 891 V N 3.253 123.159 119.914 -0.013 0.000 2.398 891 V HA 0.700 4.827 4.120 0.012 0.000 0.282 891 V C -0.578 175.475 176.094 -0.068 0.000 1.014 891 V CA -0.331 61.996 62.300 0.046 0.000 0.838 891 V CB 0.808 32.650 31.823 0.032 0.000 1.018 891 V HN 0.910 nan 8.190 nan 0.000 0.432 892 A N 3.198 125.897 122.820 -0.202 0.000 2.294 892 A HA 0.728 5.056 4.320 0.012 0.000 0.330 892 A C 0.756 178.347 177.584 0.013 0.000 1.133 892 A CA -0.441 51.417 52.037 -0.298 0.000 0.836 892 A CB 0.963 19.417 19.000 -0.911 0.000 1.190 892 A HN 0.818 nan 8.150 nan 0.000 0.492 893 E N 0.106 120.308 120.200 0.003 0.000 2.170 893 E HA -0.012 4.345 4.350 0.012 0.000 0.191 893 E C 0.179 176.857 176.600 0.130 0.000 0.981 893 E CA 0.607 57.047 56.400 0.067 0.000 0.830 893 E CB 0.128 29.846 29.700 0.029 0.000 0.775 893 E HN 0.459 nan 8.360 nan 0.000 0.470 894 R N 0.443 121.031 120.500 0.147 0.000 2.892 894 R HA 0.543 4.890 4.340 0.012 0.000 0.265 894 R C -0.768 175.722 176.300 0.317 0.000 1.025 894 R CA -0.894 55.323 56.100 0.195 0.000 0.982 894 R CB 1.719 32.103 30.300 0.139 0.000 1.185 894 R HN -0.168 nan 8.270 nan 0.000 0.484 895 V N 1.855 121.958 119.914 0.315 0.000 2.443 895 V HA 0.322 4.449 4.120 0.012 0.000 0.293 895 V C -0.385 175.985 176.094 0.460 0.000 1.021 895 V CA -0.951 61.567 62.300 0.364 0.000 0.848 895 V CB 1.692 33.666 31.823 0.252 0.000 0.998 895 V HN 0.623 nan 8.190 nan 0.000 0.424 896 N N 4.888 123.825 118.700 0.396 0.000 2.407 896 N HA 0.530 5.278 4.740 0.012 0.000 0.277 896 N C -1.268 174.486 175.510 0.408 0.000 0.995 896 N CA -0.431 52.819 53.050 0.333 0.000 0.903 896 N CB 2.327 40.908 38.487 0.157 0.000 1.218 896 N HN 0.817 nan 8.380 nan 0.000 0.487 897 W N 3.367 124.697 121.300 0.049 0.000 3.167 897 W HA 0.563 5.230 4.660 0.012 0.000 0.324 897 W C -1.937 174.536 176.519 -0.076 0.000 1.230 897 W CA -1.171 56.177 57.345 0.005 0.000 1.184 897 W CB 0.698 30.189 29.460 0.053 0.000 1.414 897 W HN 0.206 nan 8.180 nan 0.000 0.551 898 L N 4.431 125.613 121.223 -0.069 0.000 2.283 898 L HA 0.899 5.246 4.340 0.012 0.000 0.281 898 L C 0.031 176.658 176.870 -0.406 0.000 1.033 898 L CA 0.375 54.981 54.840 -0.390 0.000 0.848 898 L CB 0.396 42.326 42.059 -0.215 0.000 1.226 898 L HN 0.997 nan 8.230 nan 0.000 0.429 899 G N 3.695 112.106 108.800 -0.649 0.000 2.336 899 G HA2 0.179 4.147 3.960 0.012 0.000 0.286 899 G HA3 0.179 4.147 3.960 0.012 0.000 0.286 899 G C -1.521 173.361 174.900 -0.030 0.000 1.269 899 G CA -1.076 43.834 45.100 -0.317 0.000 0.873 899 G HN 0.428 nan 8.290 nan 0.000 0.494 900 L N 1.200 122.547 121.223 0.207 0.000 2.455 900 L HA 0.536 4.884 4.340 0.012 0.000 0.272 900 L C 1.133 178.114 176.870 0.186 0.000 1.174 900 L CA 0.928 55.880 54.840 0.186 0.000 0.869 900 L CB 0.154 42.272 42.059 0.099 0.000 1.130 900 L HN 1.184 nan 8.230 nan 0.000 0.474 901 G N 3.274 111.983 108.800 -0.151 0.000 2.428 901 G HA2 0.280 4.248 3.960 0.012 0.000 0.305 901 G HA3 0.280 4.248 3.960 0.012 0.000 0.305 901 G C -2.737 171.314 174.900 -1.414 0.000 1.260 901 G CA -0.275 44.386 45.100 -0.731 0.000 0.853 901 G HN 0.300 nan 8.290 nan 0.000 0.480 902 P HA 0.096 nan 4.420 nan 0.000 0.230 902 P C 0.448 177.570 177.300 -0.297 0.000 1.168 902 P CA 0.587 63.052 63.100 -1.059 0.000 0.793 902 P CB 0.406 31.606 31.700 -0.832 0.000 0.851 903 Q N 0.547 120.153 119.800 -0.323 0.000 2.318 903 Q HA 0.143 4.490 4.340 0.012 0.000 0.222 903 Q C 0.463 176.346 176.000 -0.195 0.000 1.003 903 Q CA -0.582 55.103 55.803 -0.197 0.000 0.936 903 Q CB 0.740 29.379 28.738 -0.165 0.000 1.204 903 Q HN 0.155 nan 8.270 nan 0.000 0.524 904 E N 1.327 121.416 120.200 -0.185 0.000 2.481 904 E HA -0.099 4.258 4.350 0.012 0.000 0.263 904 E C -1.161 175.346 176.600 -0.156 0.000 0.992 904 E CA 0.300 56.575 56.400 -0.208 0.000 0.938 904 E CB 0.279 29.912 29.700 -0.112 0.000 0.933 904 E HN 0.638 nan 8.360 nan 0.000 0.453 905 N N 2.499 121.039 118.700 -0.266 0.000 2.371 905 N HA 0.293 5.040 4.740 0.012 0.000 0.280 905 N C -1.850 173.456 175.510 -0.340 0.000 1.084 905 N CA -0.695 52.258 53.050 -0.162 0.000 0.892 905 N CB 0.658 39.063 38.487 -0.137 0.000 1.653 905 N HN 0.230 nan 8.380 nan 0.000 0.480 906 Y N 0.315 120.517 120.300 -0.163 0.000 2.621 906 Y HA 0.514 5.071 4.550 0.012 0.000 0.334 906 Y C -1.578 174.234 175.900 -0.146 0.000 1.074 906 Y CA -2.105 55.882 58.100 -0.188 0.000 1.149 906 Y CB 1.560 39.908 38.460 -0.187 0.000 1.302 906 Y HN 0.440 nan 8.280 nan 0.000 0.501 907 P HA -0.174 nan 4.420 nan 0.000 0.216 907 P C 0.330 177.433 177.300 -0.328 0.000 1.153 907 P CA 2.126 65.228 63.100 0.003 0.000 0.858 907 P CB 0.197 32.013 31.700 0.193 0.000 0.789 908 D N -2.358 117.630 120.400 -0.687 0.000 2.340 908 D HA 0.009 4.656 4.640 0.012 0.000 0.217 908 D C 0.773 176.901 176.300 -0.287 0.000 1.081 908 D CA 0.112 53.503 54.000 -1.015 0.000 0.842 908 D CB -0.294 39.805 40.800 -1.168 0.000 0.934 908 D HN 0.128 nan 8.370 nan 0.000 0.511 909 R N 1.056 121.488 120.500 -0.114 0.000 2.627 909 R HA 0.194 4.541 4.340 0.012 0.000 0.251 909 R C -0.597 175.729 176.300 0.043 0.000 1.524 909 R CA -0.136 55.973 56.100 0.015 0.000 1.606 909 R CB 0.042 30.360 30.300 0.031 0.000 1.396 909 R HN 0.106 nan 8.270 nan 0.000 0.724 910 L N -2.153 119.102 121.223 0.053 0.000 3.298 910 L HA 0.355 4.702 4.340 0.012 0.000 0.296 910 L C 1.308 178.238 176.870 0.101 0.000 1.237 910 L CA 0.015 54.889 54.840 0.056 0.000 1.038 910 L CB 0.269 42.350 42.059 0.037 0.000 1.423 910 L HN 0.044 nan 8.230 nan 0.000 0.605 911 T N -2.708 111.937 114.554 0.151 0.000 2.867 911 T HA 0.017 4.374 4.350 0.012 0.000 0.268 911 T C 1.843 176.621 174.700 0.129 0.000 1.057 911 T CA 1.247 63.468 62.100 0.202 0.000 1.136 911 T CB -0.329 68.707 68.868 0.280 0.000 0.874 911 T HN 0.369 nan 8.240 nan 0.000 0.466 912 A N 1.877 124.772 122.820 0.126 0.000 2.015 912 A HA 0.576 4.903 4.320 0.012 0.000 0.219 912 A C 1.675 179.347 177.584 0.147 0.000 1.163 912 A CA 0.693 52.753 52.037 0.038 0.000 0.646 912 A CB -1.087 18.055 19.000 0.237 0.000 0.806 912 A HN 0.865 nan 8.150 nan 0.000 0.448 913 A N -1.064 121.789 122.820 0.054 0.000 2.425 913 A HA 0.434 4.761 4.320 0.012 0.000 0.249 913 A C 0.034 177.643 177.584 0.040 0.000 1.084 913 A CA -0.065 51.960 52.037 -0.019 0.000 0.781 913 A CB -0.183 18.790 19.000 -0.045 0.000 1.019 913 A HN 0.467 nan 8.150 nan 0.000 0.490 914 C N 1.193 120.507 119.300 0.023 0.000 2.493 914 C HA 0.537 5.005 4.460 0.012 0.000 0.326 914 C C -0.005 175.086 174.990 0.168 0.000 1.200 914 C CA -0.510 58.577 59.018 0.115 0.000 1.739 914 C CB 0.724 28.552 27.740 0.147 0.000 2.300 914 C HN 0.808 nan 8.230 nan 0.000 0.500 915 F N 3.962 123.744 119.950 -0.280 0.000 2.445 915 F HA 0.471 5.005 4.527 0.012 0.000 0.359 915 F C 0.326 175.788 175.800 -0.563 0.000 1.101 915 F CA 1.133 58.807 58.000 -0.543 0.000 1.177 915 F CB 0.001 38.166 39.000 -1.391 0.000 1.110 915 F HN 0.637 nan 8.300 nan 0.000 0.522 916 D N 3.510 123.304 120.400 -1.011 0.000 2.879 916 D HA 0.179 4.826 4.640 0.012 0.000 0.346 916 D C -1.702 173.725 176.300 -1.454 0.000 1.390 916 D CA -0.709 52.595 54.000 -1.161 0.000 0.838 916 D CB 1.380 41.432 40.800 -1.246 0.000 1.416 916 D HN 0.506 nan 8.370 nan 0.000 0.493 917 R N 0.607 120.345 120.500 -1.271 0.000 2.229 917 R HA 0.565 4.912 4.340 0.012 0.000 0.328 917 R C -1.384 174.173 176.300 -1.238 0.000 1.009 917 R CA -0.242 55.254 56.100 -1.008 0.000 0.864 917 R CB 0.285 30.236 30.300 -0.581 0.000 1.085 917 R HN 0.288 nan 8.270 nan 0.000 0.453 918 W N 2.359 123.125 121.300 -0.889 0.000 2.647 918 W HA 0.465 5.132 4.660 0.012 0.000 0.353 918 W C -0.510 175.645 176.519 -0.607 0.000 1.080 918 W CA -0.651 56.118 57.345 -0.961 0.000 1.208 918 W CB 1.498 29.997 29.460 -1.601 0.000 1.396 918 W HN 0.381 nan 8.180 nan 0.000 0.573 919 D N 2.208 122.564 120.400 -0.075 0.000 2.478 919 D HA 0.418 5.065 4.640 0.012 0.000 0.240 919 D C -1.438 174.957 176.300 0.157 0.000 1.364 919 D CA -0.080 53.968 54.000 0.081 0.000 0.987 919 D CB 0.833 41.643 40.800 0.016 0.000 1.328 919 D HN 0.397 nan 8.370 nan 0.000 0.584 920 L N 2.637 124.025 121.223 0.275 0.000 2.341 920 L HA 0.595 4.942 4.340 0.012 0.000 0.254 920 L C -2.343 174.642 176.870 0.192 0.000 1.040 920 L CA -2.210 52.761 54.840 0.219 0.000 0.837 920 L CB 2.614 44.845 42.059 0.286 0.000 1.425 920 L HN 0.163 nan 8.230 nan 0.000 0.414 921 P HA 0.038 nan 4.420 nan 0.000 0.271 921 P C 0.593 177.967 177.300 0.124 0.000 1.216 921 P CA -0.339 62.830 63.100 0.116 0.000 0.776 921 P CB 1.034 32.783 31.700 0.081 0.000 0.881 922 L N 3.883 125.186 121.223 0.133 0.000 2.051 922 L HA -0.295 4.052 4.340 0.012 0.000 0.214 922 L C 2.319 179.234 176.870 0.074 0.000 1.076 922 L CA 2.870 57.775 54.840 0.109 0.000 0.758 922 L CB -1.541 40.598 42.059 0.132 0.000 0.890 922 L HN 0.478 nan 8.230 nan 0.000 0.433 923 S N -1.711 114.037 115.700 0.080 0.000 2.400 923 S HA -0.198 4.279 4.470 0.012 0.000 0.232 923 S C 1.581 176.246 174.600 0.109 0.000 1.025 923 S CA 1.252 59.513 58.200 0.101 0.000 0.993 923 S CB -0.834 62.420 63.200 0.091 0.000 0.808 923 S HN 0.556 nan 8.310 nan 0.000 0.478 924 D N 0.899 121.343 120.400 0.074 0.000 2.378 924 D HA 0.111 4.759 4.640 0.012 0.000 0.227 924 D C 1.012 177.315 176.300 0.005 0.000 1.012 924 D CA 0.510 54.533 54.000 0.038 0.000 0.905 924 D CB -0.104 40.724 40.800 0.046 0.000 0.895 924 D HN 0.372 nan 8.370 nan 0.000 0.532 925 M N -0.350 119.262 119.600 0.019 0.000 2.431 925 M HA 0.074 4.561 4.480 0.012 0.000 0.237 925 M C -0.204 176.091 176.300 -0.008 0.000 1.130 925 M CA -0.169 55.094 55.300 -0.061 0.000 1.002 925 M CB -0.699 31.857 32.600 -0.074 0.000 1.524 925 M HN -0.056 nan 8.290 nan 0.000 0.482 926 Y N -0.130 120.125 120.300 -0.075 0.000 2.376 926 Y HA 0.510 5.067 4.550 0.012 0.000 0.340 926 Y C -0.763 175.091 175.900 -0.077 0.000 0.965 926 Y CA -1.059 57.019 58.100 -0.036 0.000 1.078 926 Y CB 1.266 39.768 38.460 0.070 0.000 1.193 926 Y HN -0.114 nan 8.280 nan 0.000 0.452 927 T N 9.110 123.211 114.554 -0.754 0.000 2.743 927 T HA 0.275 4.633 4.350 0.012 0.000 0.292 927 T C -2.662 171.267 174.700 -1.285 0.000 0.972 927 T CA -1.509 60.050 62.100 -0.903 0.000 0.967 927 T CB 0.958 69.363 68.868 -0.771 0.000 0.926 927 T HN 0.458 nan 8.240 nan 0.000 0.459 928 P HA 0.110 nan 4.420 nan 0.000 0.225 928 P C -0.608 176.563 177.300 -0.214 0.000 1.768 928 P CA -0.423 62.260 63.100 -0.696 0.000 0.943 928 P CB -0.807 30.633 31.700 -0.433 0.000 1.936 929 Y N -0.182 120.064 120.300 -0.091 0.000 2.712 929 Y HA -0.102 4.455 4.550 0.012 0.000 0.333 929 Y C 2.265 178.222 175.900 0.096 0.000 1.225 929 Y CA -0.506 57.604 58.100 0.016 0.000 1.499 929 Y CB 0.583 38.975 38.460 -0.114 0.000 1.288 929 Y HN -0.082 nan 8.280 nan 0.000 0.575 930 V N 3.793 123.939 119.914 0.386 0.000 2.324 930 V HA -0.321 3.806 4.120 0.012 0.000 0.250 930 V C 0.539 176.812 176.094 0.297 0.000 1.060 930 V CA 1.577 64.080 62.300 0.338 0.000 1.042 930 V CB -0.539 31.517 31.823 0.389 0.000 0.650 930 V HN 0.600 nan 8.190 nan 0.000 0.450 931 F N 3.309 123.304 119.950 0.074 0.000 2.313 931 F HA 0.504 5.038 4.527 0.012 0.000 0.369 931 F C -2.451 173.339 175.800 -0.016 0.000 1.109 931 F CA -3.307 54.676 58.000 -0.029 0.000 1.132 931 F CB 0.765 39.628 39.000 -0.228 0.000 1.291 931 F HN 0.012 nan 8.300 nan 0.000 0.496 932 P HA 0.205 nan 4.420 nan 0.000 0.268 932 P C -0.885 176.160 177.300 -0.426 0.000 1.205 932 P CA 0.128 63.041 63.100 -0.312 0.000 0.771 932 P CB 1.340 32.847 31.700 -0.322 0.000 0.858 933 S N 0.282 115.901 115.700 -0.134 0.000 2.790 933 S HA 0.496 4.973 4.470 0.012 0.000 0.292 933 S C -0.606 173.998 174.600 0.007 0.000 1.197 933 S CA -0.892 57.268 58.200 -0.067 0.000 0.851 933 S CB 0.533 63.725 63.200 -0.015 0.000 1.217 933 S HN 0.348 nan 8.310 nan 0.000 0.526 934 E N 1.034 121.250 120.200 0.027 0.000 2.437 934 E HA 0.398 4.756 4.350 0.012 0.000 0.263 934 E C -0.245 176.423 176.600 0.112 0.000 1.030 934 E CA 0.590 57.032 56.400 0.071 0.000 0.934 934 E CB -0.024 29.744 29.700 0.113 0.000 0.943 934 E HN 0.836 nan 8.360 nan 0.000 0.444 935 N N 0.917 119.720 118.700 0.171 0.000 3.322 935 N HA 0.432 5.179 4.740 0.012 0.000 0.233 935 N C 0.080 175.655 175.510 0.108 0.000 1.399 935 N CA -0.478 52.711 53.050 0.231 0.000 0.894 935 N CB 0.855 39.474 38.487 0.220 0.000 1.440 935 N HN 0.814 nan 8.380 nan 0.000 0.503 936 G N -1.152 107.666 108.800 0.029 0.000 2.179 936 G HA2 -0.258 3.709 3.960 0.012 0.000 0.260 936 G HA3 -0.258 3.709 3.960 0.012 0.000 0.260 936 G C -0.160 174.478 174.900 -0.436 0.000 0.977 936 G CA 0.303 45.293 45.100 -0.184 0.000 0.641 936 G HN 0.740 nan 8.290 nan 0.000 0.533 937 L N 0.111 121.000 121.223 -0.557 0.000 2.499 937 L HA 0.610 4.957 4.340 0.012 0.000 0.281 937 L C 0.700 176.984 176.870 -0.977 0.000 1.234 937 L CA 0.607 54.864 54.840 -0.972 0.000 0.839 937 L CB 0.489 41.646 42.059 -1.503 0.000 1.104 937 L HN 0.273 nan 8.230 nan 0.000 0.500 938 R N 2.446 122.298 120.500 -1.081 0.000 2.532 938 R HA 0.471 4.818 4.340 0.012 0.000 0.297 938 R C -1.038 174.895 176.300 -0.611 0.000 0.984 938 R CA -0.277 55.308 56.100 -0.857 0.000 0.884 938 R CB 1.403 30.997 30.300 -1.176 0.000 1.182 938 R HN 0.686 nan 8.270 nan 0.000 0.442 939 C N 0.397 119.493 119.300 -0.340 0.000 2.380 939 C HA 0.709 5.177 4.460 0.012 0.000 0.393 939 C C 1.317 176.284 174.990 -0.038 0.000 1.284 939 C CA 0.145 59.048 59.018 -0.192 0.000 2.033 939 C CB 1.339 28.991 27.740 -0.147 0.000 2.165 939 C HN 1.030 nan 8.230 nan 0.000 0.540 940 G N 1.806 110.601 108.800 -0.009 0.000 2.341 940 G HA2 -0.193 3.775 3.960 0.012 0.000 0.292 940 G HA3 -0.193 3.775 3.960 0.012 0.000 0.292 940 G C -0.018 174.927 174.900 0.076 0.000 1.021 940 G CA 0.630 45.774 45.100 0.072 0.000 0.905 940 G HN 0.798 nan 8.290 nan 0.000 0.508 941 T N 0.005 114.492 114.554 -0.111 0.000 2.817 941 T HA 0.492 4.849 4.350 0.012 0.000 0.293 941 T C 1.413 175.787 174.700 -0.544 0.000 0.964 941 T CA -0.461 61.505 62.100 -0.224 0.000 1.085 941 T CB 1.314 70.118 68.868 -0.106 0.000 0.921 941 T HN 0.258 nan 8.240 nan 0.000 0.502 942 R N 1.505 121.885 120.500 -0.200 0.000 2.279 942 R HA 0.306 4.653 4.340 0.012 0.000 0.195 942 R C 0.511 176.797 176.300 -0.024 0.000 0.905 942 R CA 0.201 56.242 56.100 -0.098 0.000 1.044 942 R CB 0.441 30.830 30.300 0.148 0.000 1.056 942 R HN 0.691 nan 8.270 nan 0.000 0.535 943 E N 0.480 120.692 120.200 0.020 0.000 2.354 943 E HA 0.340 4.697 4.350 0.012 0.000 0.283 943 E C -1.928 174.799 176.600 0.211 0.000 0.938 943 E CA -0.643 55.863 56.400 0.177 0.000 0.777 943 E CB 1.581 31.352 29.700 0.119 0.000 1.222 943 E HN -0.091 nan 8.360 nan 0.000 0.423 944 L N 4.217 125.627 121.223 0.312 0.000 2.406 944 L HA 0.565 4.912 4.340 0.012 0.000 0.272 944 L C -1.916 175.173 176.870 0.364 0.000 0.980 944 L CA -0.412 54.561 54.840 0.222 0.000 0.831 944 L CB 1.687 43.711 42.059 -0.059 0.000 1.253 944 L HN 0.448 nan 8.230 nan 0.000 0.406 945 N N 4.822 123.691 118.700 0.281 0.000 2.407 945 N HA 0.368 5.115 4.740 0.012 0.000 0.277 945 N C -1.903 173.827 175.510 0.366 0.000 0.995 945 N CA -0.265 52.936 53.050 0.252 0.000 0.903 945 N CB 2.025 40.598 38.487 0.144 0.000 1.218 945 N HN 0.558 nan 8.380 nan 0.000 0.487 946 Y N 1.334 121.776 120.300 0.237 0.000 2.315 946 Y HA 0.397 4.954 4.550 0.012 0.000 0.324 946 Y C 0.822 176.804 175.900 0.136 0.000 1.062 946 Y CA -0.010 58.228 58.100 0.230 0.000 1.159 946 Y CB 0.648 39.310 38.460 0.338 0.000 1.145 946 Y HN 0.846 nan 8.280 nan 0.000 0.442 947 G N 6.584 115.205 108.800 -0.298 0.000 2.634 947 G HA2 -0.329 3.638 3.960 0.012 0.000 0.318 947 G HA3 -0.329 3.638 3.960 0.012 0.000 0.318 947 G C -1.615 173.135 174.900 -0.250 0.000 1.207 947 G CA 0.381 45.277 45.100 -0.340 0.000 0.987 947 G HN 0.540 nan 8.290 nan 0.000 0.547 948 P HA 0.165 nan 4.420 nan 0.000 0.245 948 P C 0.287 177.307 177.300 -0.465 0.000 1.203 948 P CA 0.731 63.588 63.100 -0.404 0.000 0.792 948 P CB 0.025 31.446 31.700 -0.464 0.000 0.997 949 H N 0.414 119.396 119.070 -0.147 0.000 2.511 949 H HA 0.445 5.008 4.556 0.012 0.000 0.346 949 H C -0.003 175.006 175.328 -0.531 0.000 1.128 949 H CA 0.083 55.878 56.048 -0.421 0.000 1.342 949 H CB 1.311 30.507 29.762 -0.944 0.000 1.470 949 H HN 0.084 nan 8.280 nan 0.000 0.546 950 Q N 2.374 121.853 119.800 -0.535 0.000 2.285 950 Q HA 0.239 4.586 4.340 0.012 0.000 0.269 950 Q C -1.630 174.075 176.000 -0.492 0.000 1.030 950 Q CA -0.672 54.938 55.803 -0.323 0.000 0.788 950 Q CB 1.919 30.613 28.738 -0.074 0.000 1.266 950 Q HN 0.598 nan 8.270 nan 0.000 0.438 951 W N 4.234 125.483 121.300 -0.085 0.000 2.600 951 W HA 0.565 5.232 4.660 0.012 0.000 0.325 951 W C -0.273 176.341 176.519 0.159 0.000 1.034 951 W CA -0.831 56.441 57.345 -0.122 0.000 1.226 951 W CB 1.790 30.975 29.460 -0.459 0.000 1.379 951 W HN 0.447 nan 8.180 nan 0.000 0.466 952 R N 1.212 121.961 120.500 0.414 0.000 2.599 952 R HA 0.762 5.109 4.340 0.012 0.000 0.295 952 R C 0.229 176.814 176.300 0.474 0.000 0.963 952 R CA -0.432 55.921 56.100 0.421 0.000 0.883 952 R CB 2.309 32.761 30.300 0.253 0.000 1.171 952 R HN 0.771 nan 8.270 nan 0.000 0.450 953 G N 0.960 110.034 108.800 0.457 0.000 2.600 953 G HA2 0.005 3.973 3.960 0.012 0.000 0.103 953 G HA3 0.005 3.973 3.960 0.012 0.000 0.103 953 G C -1.751 173.255 174.900 0.178 0.000 1.090 953 G CA -0.289 45.038 45.100 0.377 0.000 1.090 953 G HN 0.479 nan 8.290 nan 0.000 0.500 954 D N 0.044 120.549 120.400 0.175 0.000 2.381 954 D HA 0.579 5.226 4.640 0.012 0.000 0.245 954 D C -0.723 175.564 176.300 -0.021 0.000 1.297 954 D CA -0.531 53.455 54.000 -0.024 0.000 0.931 954 D CB 0.190 41.025 40.800 0.059 0.000 1.334 954 D HN 0.497 nan 8.370 nan 0.000 0.535 955 F N -0.251 119.694 119.950 -0.009 0.000 2.824 955 F HA 0.716 5.250 4.527 0.012 0.000 0.330 955 F C -0.993 174.760 175.800 -0.079 0.000 1.175 955 F CA -1.038 56.892 58.000 -0.116 0.000 0.974 955 F CB 0.657 39.584 39.000 -0.121 0.000 1.430 955 F HN -0.145 nan 8.300 nan 0.000 0.507 956 Q N 1.482 121.376 119.800 0.156 0.000 2.345 956 Q HA 0.646 4.993 4.340 0.012 0.000 0.268 956 Q C -1.306 174.747 176.000 0.088 0.000 1.054 956 Q CA -0.498 55.302 55.803 -0.006 0.000 0.835 956 Q CB 2.692 31.318 28.738 -0.187 0.000 1.339 956 Q HN 0.848 nan 8.270 nan 0.000 0.447 957 F N -1.071 118.756 119.950 -0.204 0.000 2.686 957 F HA 0.741 5.276 4.527 0.012 0.000 0.311 957 F C -1.545 174.031 175.800 -0.373 0.000 1.128 957 F CA -1.116 56.714 58.000 -0.282 0.000 0.946 957 F CB 1.460 40.301 39.000 -0.265 0.000 1.336 957 F HN 0.560 nan 8.300 nan 0.000 0.457 958 N N 1.429 119.965 118.700 -0.273 0.000 2.357 958 N HA 0.773 5.520 4.740 0.012 0.000 0.284 958 N C -2.009 173.441 175.510 -0.100 0.000 1.236 958 N CA -0.795 52.077 53.050 -0.297 0.000 0.774 958 N CB 2.721 41.056 38.487 -0.253 0.000 1.534 958 N HN 1.129 nan 8.380 nan 0.000 0.478 959 I N 0.071 120.571 120.570 -0.117 0.000 2.710 959 I HA 0.640 4.817 4.170 0.012 0.000 0.290 959 I C -1.484 174.539 176.117 -0.156 0.000 1.318 959 I CA 0.086 61.278 61.300 -0.180 0.000 1.045 959 I CB 1.324 39.143 38.000 -0.301 0.000 1.307 959 I HN 1.072 nan 8.210 nan 0.000 0.424 960 S N 6.246 121.869 115.700 -0.129 0.000 2.669 960 S HA 0.498 4.976 4.470 0.012 0.000 0.266 960 S C -0.284 174.204 174.600 -0.186 0.000 1.149 960 S CA -0.946 57.168 58.200 -0.143 0.000 0.842 960 S CB 1.602 64.769 63.200 -0.054 0.000 1.160 960 S HN 0.626 nan 8.310 nan 0.000 0.487 961 R N -0.092 120.124 120.500 -0.473 0.000 2.320 961 R HA 0.258 4.606 4.340 0.012 0.000 0.211 961 R C -0.865 175.075 176.300 -0.600 0.000 0.931 961 R CA 0.342 56.116 56.100 -0.542 0.000 1.071 961 R CB -1.014 28.878 30.300 -0.680 0.000 1.025 961 R HN 0.656 nan 8.270 nan 0.000 0.495 962 Y N 0.053 120.325 120.300 -0.046 0.000 2.361 962 Y HA 0.221 4.778 4.550 0.012 0.000 0.337 962 Y C 0.615 176.303 175.900 -0.352 0.000 0.965 962 Y CA -1.176 56.811 58.100 -0.188 0.000 1.091 962 Y CB 1.404 39.694 38.460 -0.284 0.000 1.182 962 Y HN -0.107 nan 8.280 nan 0.000 0.450 963 S N 1.641 117.009 115.700 -0.553 0.000 2.593 963 S HA 0.042 4.519 4.470 0.012 0.000 0.269 963 S C 0.921 175.193 174.600 -0.547 0.000 1.334 963 S CA -0.748 56.786 58.200 -1.110 0.000 1.015 963 S CB 1.174 63.558 63.200 -1.361 0.000 0.912 963 S HN 0.725 nan 8.310 nan 0.000 0.541 964 Q N 0.894 120.384 119.800 -0.517 0.000 2.096 964 Q HA -0.215 4.132 4.340 0.012 0.000 0.204 964 Q C 2.228 178.085 176.000 -0.239 0.000 0.982 964 Q CA 1.953 57.589 55.803 -0.278 0.000 0.850 964 Q CB -0.602 27.998 28.738 -0.229 0.000 0.901 964 Q HN 0.966 nan 8.270 nan 0.000 0.422 965 Q N 0.523 120.141 119.800 -0.303 0.000 2.061 965 Q HA -0.234 4.113 4.340 0.012 0.000 0.204 965 Q C 2.152 178.040 176.000 -0.187 0.000 0.984 965 Q CA 1.707 57.391 55.803 -0.198 0.000 0.846 965 Q CB 0.003 28.637 28.738 -0.174 0.000 0.902 965 Q HN 0.415 nan 8.270 nan 0.000 0.421 966 Q N -0.019 119.637 119.800 -0.240 0.000 2.084 966 Q HA -0.166 4.181 4.340 0.012 0.000 0.202 966 Q C 2.178 178.044 176.000 -0.225 0.000 0.978 966 Q CA 1.306 56.977 55.803 -0.220 0.000 0.844 966 Q CB -0.081 28.497 28.738 -0.266 0.000 0.898 966 Q HN 0.472 nan 8.270 nan 0.000 0.426 967 L N 0.507 121.598 121.223 -0.220 0.000 2.131 967 L HA -0.194 4.153 4.340 0.012 0.000 0.210 967 L C 2.643 179.381 176.870 -0.220 0.000 1.092 967 L CA 1.311 56.020 54.840 -0.218 0.000 0.759 967 L CB -0.399 41.569 42.059 -0.151 0.000 0.903 967 L HN 0.499 nan 8.230 nan 0.000 0.435 968 M N -1.719 117.780 119.600 -0.168 0.000 2.506 968 M HA -0.043 4.444 4.480 0.012 0.000 0.260 968 M C 1.284 177.503 176.300 -0.136 0.000 1.104 968 M CA 1.480 56.694 55.300 -0.142 0.000 1.112 968 M CB -0.086 32.456 32.600 -0.098 0.000 1.401 968 M HN 0.056 nan 8.290 nan 0.000 0.473 969 E N 0.966 121.085 120.200 -0.134 0.000 2.474 969 E HA 0.124 4.481 4.350 0.012 0.000 0.195 969 E C -0.475 176.064 176.600 -0.101 0.000 1.039 969 E CA 0.020 56.363 56.400 -0.095 0.000 0.881 969 E CB 0.628 30.283 29.700 -0.076 0.000 0.970 969 E HN 0.404 nan 8.360 nan 0.000 0.486 970 T N 0.288 114.743 114.554 -0.165 0.000 2.779 970 T HA 0.097 4.455 4.350 0.012 0.000 0.280 970 T C 1.029 175.607 174.700 -0.204 0.000 0.987 970 T CA -0.502 61.498 62.100 -0.166 0.000 0.966 970 T CB 1.663 70.402 68.868 -0.216 0.000 0.933 970 T HN 0.013 nan 8.240 nan 0.000 0.442 971 S N 1.776 117.454 115.700 -0.037 0.000 2.501 971 S HA 0.083 4.560 4.470 0.012 0.000 0.220 971 S C 0.260 174.922 174.600 0.103 0.000 0.997 971 S CA 0.260 58.514 58.200 0.090 0.000 0.919 971 S CB -0.233 63.174 63.200 0.346 0.000 0.778 971 S HN 0.749 nan 8.310 nan 0.000 0.523 972 H N 0.377 119.454 119.070 0.011 0.000 2.865 972 H HA 0.480 5.044 4.556 0.012 0.000 0.362 972 H C 0.943 176.255 175.328 -0.026 0.000 1.114 972 H CA -0.764 55.354 56.048 0.116 0.000 1.208 972 H CB 1.507 31.334 29.762 0.108 0.000 1.727 972 H HN 0.079 nan 8.280 nan 0.000 0.534 973 R N 2.084 122.704 120.500 0.200 0.000 2.096 973 R HA -0.164 4.184 4.340 0.012 0.000 0.235 973 R C 1.153 177.473 176.300 0.033 0.000 1.127 973 R CA 1.915 58.062 56.100 0.078 0.000 0.968 973 R CB -0.429 29.951 30.300 0.133 0.000 0.861 973 R HN 0.807 nan 8.270 nan 0.000 0.440 974 H N 0.881 119.965 119.070 0.025 0.000 2.545 974 H HA 0.040 4.603 4.556 0.012 0.000 0.282 974 H C 1.510 176.767 175.328 -0.119 0.000 1.020 974 H CA 0.659 56.684 56.048 -0.038 0.000 1.243 974 H CB -0.179 29.582 29.762 -0.001 0.000 1.377 974 H HN 0.301 nan 8.280 nan 0.000 0.581 975 L N 0.811 121.542 121.223 -0.819 0.000 2.591 975 L HA 0.196 4.543 4.340 0.012 0.000 0.228 975 L C 0.658 177.351 176.870 -0.295 0.000 1.133 975 L CA -0.089 54.393 54.840 -0.596 0.000 0.880 975 L CB 0.101 41.829 42.059 -0.551 0.000 1.033 975 L HN 0.086 nan 8.230 nan 0.000 0.450 976 L N 0.449 121.492 121.223 -0.299 0.000 2.436 976 L HA 0.164 4.512 4.340 0.012 0.000 0.265 976 L C 0.170 176.963 176.870 -0.128 0.000 1.168 976 L CA -0.202 54.426 54.840 -0.352 0.000 0.815 976 L CB 0.550 42.174 42.059 -0.726 0.000 1.109 976 L HN 0.182 nan 8.230 nan 0.000 0.462 977 H N 1.308 120.393 119.070 0.024 0.000 2.689 977 H HA 0.587 5.150 4.556 0.012 0.000 0.346 977 H C -0.773 174.675 175.328 0.200 0.000 1.037 977 H CA -1.201 54.906 56.048 0.099 0.000 1.234 977 H CB 1.213 30.986 29.762 0.019 0.000 1.572 977 H HN 0.689 nan 8.280 nan 0.000 0.524 978 A N 3.633 126.589 122.820 0.228 0.000 2.531 978 A HA 0.077 4.404 4.320 0.012 0.000 0.236 978 A C 0.366 178.014 177.584 0.107 0.000 1.062 978 A CA -0.101 51.928 52.037 -0.013 0.000 0.760 978 A CB 0.073 19.007 19.000 -0.111 0.000 0.995 978 A HN 0.860 nan 8.150 nan 0.000 0.501 979 E N 0.526 120.761 120.200 0.059 0.000 2.280 979 E HA 0.231 4.588 4.350 0.012 0.000 0.261 979 E C -0.061 176.575 176.600 0.061 0.000 1.088 979 E CA -0.647 55.849 56.400 0.160 0.000 0.915 979 E CB 0.802 30.684 29.700 0.304 0.000 1.141 979 E HN 0.797 nan 8.360 nan 0.000 0.433 980 E N 0.419 120.651 120.200 0.053 0.000 2.414 980 E HA 0.167 4.524 4.350 0.012 0.000 0.263 980 E C 0.381 176.933 176.600 -0.079 0.000 1.000 980 E CA 0.608 56.999 56.400 -0.014 0.000 0.914 980 E CB 0.279 29.966 29.700 -0.021 0.000 0.948 980 E HN 0.669 nan 8.360 nan 0.000 0.444 981 G N 3.028 111.783 108.800 -0.075 0.000 2.641 981 G HA2 -0.243 3.724 3.960 0.012 0.000 0.254 981 G HA3 -0.243 3.724 3.960 0.012 0.000 0.254 981 G C -0.589 174.249 174.900 -0.104 0.000 1.315 981 G CA -0.093 44.949 45.100 -0.097 0.000 0.907 981 G HN 0.662 nan 8.290 nan 0.000 0.572 982 T N 0.176 114.658 114.554 -0.120 0.000 2.841 982 T HA 0.507 4.864 4.350 0.012 0.000 0.285 982 T C -0.700 173.864 174.700 -0.228 0.000 0.991 982 T CA -0.165 61.873 62.100 -0.104 0.000 0.966 982 T CB 1.383 70.278 68.868 0.046 0.000 0.962 982 T HN 0.559 nan 8.240 nan 0.000 0.438 983 W N 3.146 124.358 121.300 -0.146 0.000 2.322 983 W HA 0.597 5.265 4.660 0.012 0.000 0.307 983 W C -0.223 176.169 176.519 -0.211 0.000 1.220 983 W CA -0.712 56.543 57.345 -0.149 0.000 1.210 983 W CB 0.724 30.104 29.460 -0.133 0.000 1.223 983 W HN 0.425 nan 8.180 nan 0.000 0.511 984 L N 5.345 126.575 121.223 0.011 0.000 2.356 984 L HA 0.529 4.876 4.340 0.012 0.000 0.277 984 L C -1.001 175.780 176.870 -0.148 0.000 0.996 984 L CA -0.427 54.301 54.840 -0.187 0.000 0.822 984 L CB 0.971 42.776 42.059 -0.422 0.000 1.256 984 L HN 0.319 nan 8.230 nan 0.000 0.413 985 N N 7.211 125.807 118.700 -0.174 0.000 2.518 985 N HA 0.438 5.185 4.740 0.012 0.000 0.254 985 N C -1.238 174.127 175.510 -0.241 0.000 0.979 985 N CA -0.286 52.657 53.050 -0.178 0.000 0.930 985 N CB 2.091 40.498 38.487 -0.132 0.000 1.152 985 N HN 0.543 nan 8.380 nan 0.000 0.505 986 I N 1.977 122.353 120.570 -0.322 0.000 2.354 986 I HA 0.243 4.420 4.170 0.012 0.000 0.286 986 I C -0.501 175.411 176.117 -0.342 0.000 1.007 986 I CA -0.479 60.583 61.300 -0.398 0.000 1.167 986 I CB 1.476 39.085 38.000 -0.652 0.000 1.320 986 I HN 0.167 nan 8.210 nan 0.000 0.458 987 D N 4.377 124.609 120.400 -0.279 0.000 2.185 987 D HA 0.320 4.968 4.640 0.012 0.000 0.247 987 D C 1.009 176.995 176.300 -0.524 0.000 1.027 987 D CA -0.222 53.554 54.000 -0.373 0.000 0.861 987 D CB 2.540 43.219 40.800 -0.200 0.000 1.202 987 D HN 0.681 nan 8.370 nan 0.000 0.453 988 G N 0.849 109.037 108.800 -1.020 0.000 2.453 988 G HA2 0.047 4.015 3.960 0.012 0.000 0.215 988 G HA3 0.047 4.015 3.960 0.012 0.000 0.215 988 G C 0.030 174.212 174.900 -1.197 0.000 1.147 988 G CA 0.445 44.822 45.100 -1.205 0.000 0.802 988 G HN 0.359 nan 8.290 nan 0.000 0.535 989 F N -2.036 117.696 119.950 -0.363 0.000 2.619 989 F HA 0.633 5.167 4.527 0.012 0.000 0.308 989 F C -0.591 175.094 175.800 -0.192 0.000 1.097 989 F CA -1.288 56.583 58.000 -0.215 0.000 0.953 989 F CB 2.022 40.840 39.000 -0.303 0.000 1.287 989 F HN 0.034 nan 8.300 nan 0.000 0.446 990 H N 1.380 120.440 119.070 -0.016 0.000 2.954 990 H HA 0.515 5.078 4.556 0.012 0.000 0.361 990 H C -0.957 174.388 175.328 0.028 0.000 1.122 990 H CA -0.845 55.173 56.048 -0.051 0.000 1.217 990 H CB 1.859 31.579 29.762 -0.070 0.000 1.776 990 H HN 0.797 nan 8.280 nan 0.000 0.533 991 M N 3.388 122.949 119.600 -0.065 0.000 2.248 991 M HA 0.288 4.776 4.480 0.012 0.000 0.337 991 M C 0.491 176.919 176.300 0.214 0.000 1.121 991 M CA 0.382 55.710 55.300 0.046 0.000 1.155 991 M CB 0.363 32.887 32.600 -0.126 0.000 1.514 991 M HN 0.829 nan 8.290 nan 0.000 0.452 992 G N 3.034 111.936 108.800 0.169 0.000 2.667 992 G HA2 0.287 4.254 3.960 0.012 0.000 0.250 992 G HA3 0.287 4.254 3.960 0.012 0.000 0.250 992 G C 0.632 175.539 174.900 0.011 0.000 1.212 992 G CA -0.452 44.691 45.100 0.071 0.000 0.874 992 G HN 0.984 nan 8.290 nan 0.000 0.561 993 I N -1.429 119.098 120.570 -0.072 0.000 3.427 993 I HA 0.387 4.564 4.170 0.012 0.000 0.288 993 I C 1.190 177.260 176.117 -0.078 0.000 1.249 993 I CA 0.470 61.690 61.300 -0.133 0.000 1.421 993 I CB -0.651 37.160 38.000 -0.314 0.000 1.086 993 I HN 0.920 nan 8.210 nan 0.000 0.448 994 G N 1.553 110.331 108.800 -0.037 0.000 2.645 994 G HA2 0.022 3.990 3.960 0.012 0.000 0.239 994 G HA3 0.022 3.990 3.960 0.012 0.000 0.239 994 G C 0.547 175.454 174.900 0.011 0.000 1.331 994 G CA 0.102 45.212 45.100 0.016 0.000 0.890 994 G HN 1.344 nan 8.290 nan 0.000 0.572 995 G N -2.434 106.383 108.800 0.029 0.000 2.613 995 G HA2 -0.001 3.967 3.960 0.012 0.000 0.199 995 G HA3 -0.001 3.967 3.960 0.012 0.000 0.199 995 G C 0.673 175.634 174.900 0.102 0.000 0.991 995 G CA 0.897 46.024 45.100 0.045 0.000 0.756 995 G HN 0.994 nan 8.290 nan 0.000 0.515 996 D N 1.261 121.739 120.400 0.131 0.000 2.190 996 D HA 0.095 4.742 4.640 0.012 0.000 0.200 996 D C 1.064 177.391 176.300 0.044 0.000 0.992 996 D CA 2.131 56.263 54.000 0.220 0.000 0.854 996 D CB 0.122 41.057 40.800 0.226 0.000 0.936 996 D HN 0.820 nan 8.370 nan 0.000 0.462 997 D N -3.532 116.703 120.400 -0.274 0.000 2.643 997 D HA 0.338 4.985 4.640 0.012 0.000 0.283 997 D C -0.664 175.197 176.300 -0.732 0.000 1.242 997 D CA -0.713 52.727 54.000 -0.934 0.000 0.863 997 D CB 0.840 40.499 40.800 -1.902 0.000 1.382 997 D HN -0.297 nan 8.370 nan 0.000 0.444 998 S N -0.886 114.257 115.700 -0.929 0.000 2.749 998 S HA 0.242 4.719 4.470 0.012 0.000 0.246 998 S C -0.657 174.027 174.600 0.140 0.000 1.023 998 S CA -0.628 57.487 58.200 -0.142 0.000 1.012 998 S CB -0.355 62.984 63.200 0.232 0.000 0.942 998 S HN 0.596 nan 8.310 nan 0.000 0.531 999 W N 1.304 122.567 121.300 -0.061 0.000 1.948 999 W HA 0.583 5.250 4.660 0.011 0.000 0.300 999 W C -0.145 176.331 176.519 -0.073 0.000 0.890 999 W CA -0.690 56.617 57.345 -0.063 0.000 1.799 999 W CB -0.615 28.744 29.460 -0.169 0.000 1.073 999 W HN 0.132 nan 8.180 nan 0.000 0.499 1000 S N -1.227 114.373 115.700 -0.166 0.000 2.552 1000 S HA 0.585 5.062 4.470 0.012 0.000 0.272 1000 S C -3.180 171.349 174.600 -0.118 0.000 1.150 1000 S CA -1.548 56.582 58.200 -0.116 0.000 0.849 1000 S CB 1.735 64.872 63.200 -0.105 0.000 1.113 1000 S HN -0.193 nan 8.310 nan 0.000 0.458 1001 P HA 0.211 nan 4.420 nan 0.000 0.262 1001 P C 0.428 177.756 177.300 0.046 0.000 1.199 1001 P CA 0.010 63.095 63.100 -0.024 0.000 0.763 1001 P CB 0.677 32.238 31.700 -0.231 0.000 0.790 1002 S N 0.786 116.560 115.700 0.125 0.000 2.847 1002 S HA 0.126 4.603 4.470 0.012 0.000 0.254 1002 S C 0.219 174.909 174.600 0.150 0.000 1.039 1002 S CA -0.299 57.954 58.200 0.090 0.000 1.113 1002 S CB -0.288 62.915 63.200 0.004 0.000 1.092 1002 S HN 0.103 nan 8.310 nan 0.000 0.620 1003 V N 3.030 123.081 119.914 0.228 0.000 2.479 1003 V HA 0.324 4.451 4.120 0.012 0.000 0.281 1003 V C 0.846 177.096 176.094 0.260 0.000 1.031 1003 V CA -0.158 62.269 62.300 0.213 0.000 1.038 1003 V CB 0.938 32.847 31.823 0.144 0.000 0.981 1003 V HN 0.538 nan 8.190 nan 0.000 0.478 1004 S N 4.223 120.091 115.700 0.280 0.000 2.549 1004 S HA 0.260 4.737 4.470 0.012 0.000 0.286 1004 S C 1.556 176.299 174.600 0.238 0.000 1.314 1004 S CA 0.011 58.369 58.200 0.263 0.000 1.062 1004 S CB 0.994 64.354 63.200 0.267 0.000 0.865 1004 S HN 1.017 nan 8.310 nan 0.000 0.498 1005 A N 4.271 127.189 122.820 0.164 0.000 1.940 1005 A HA -0.197 4.130 4.320 0.012 0.000 0.221 1005 A C 2.016 179.636 177.584 0.060 0.000 1.190 1005 A CA 2.072 54.193 52.037 0.139 0.000 0.647 1005 A CB -0.724 18.337 19.000 0.101 0.000 0.821 1005 A HN 0.977 nan 8.150 nan 0.000 0.457 1006 E N -0.989 119.180 120.200 -0.053 0.000 2.472 1006 E HA -0.117 4.240 4.350 0.012 0.000 0.200 1006 E C 0.758 177.143 176.600 -0.358 0.000 1.046 1006 E CA 0.751 57.005 56.400 -0.244 0.000 0.871 1006 E CB -0.452 29.005 29.700 -0.405 0.000 0.806 1006 E HN 0.712 nan 8.360 nan 0.000 0.533 1007 F N 0.997 121.001 119.950 0.090 0.000 2.653 1007 F HA 0.266 4.800 4.527 0.012 0.000 0.304 1007 F C 0.899 176.739 175.800 0.068 0.000 1.092 1007 F CA -0.516 57.537 58.000 0.088 0.000 1.279 1007 F CB 0.587 39.641 39.000 0.091 0.000 1.044 1007 F HN -0.185 nan 8.300 nan 0.000 0.564 1008 Q N 1.196 121.099 119.800 0.172 0.000 2.235 1008 Q HA 0.378 4.725 4.340 0.012 0.000 0.250 1008 Q C -0.072 175.949 176.000 0.034 0.000 0.909 1008 Q CA -0.509 55.370 55.803 0.126 0.000 0.910 1008 Q CB 1.817 30.713 28.738 0.264 0.000 1.223 1008 Q HN 0.260 nan 8.270 nan 0.000 0.432 1009 L N 2.543 123.770 121.223 0.007 0.000 2.391 1009 L HA 0.078 4.425 4.340 0.012 0.000 0.249 1009 L C 0.665 177.491 176.870 -0.074 0.000 1.308 1009 L CA -0.004 54.840 54.840 0.007 0.000 1.209 1009 L CB -0.502 41.464 42.059 -0.156 0.000 1.401 1009 L HN 0.660 nan 8.230 nan 0.000 0.416 1010 S N -1.420 114.118 115.700 -0.270 0.000 2.572 1010 S HA 0.148 4.625 4.470 0.012 0.000 0.228 1010 S C 1.724 176.237 174.600 -0.145 0.000 0.963 1010 S CA 0.141 58.007 58.200 -0.557 0.000 0.939 1010 S CB 0.685 63.395 63.200 -0.818 0.000 0.804 1010 S HN 0.513 nan 8.310 nan 0.000 0.480 1011 A N 1.612 124.378 122.820 -0.090 0.000 2.076 1011 A HA 0.365 4.693 4.320 0.012 0.000 0.220 1011 A C 2.148 179.567 177.584 -0.274 0.000 1.160 1011 A CA 1.507 53.332 52.037 -0.353 0.000 0.653 1011 A CB -1.305 17.260 19.000 -0.725 0.000 0.801 1011 A HN 1.496 nan 8.150 nan 0.000 0.455 1012 G N -1.726 107.018 108.800 -0.094 0.000 2.812 1012 G HA2 -0.288 3.679 3.960 0.012 0.000 0.219 1012 G HA3 -0.288 3.679 3.960 0.012 0.000 0.219 1012 G C 0.430 175.319 174.900 -0.019 0.000 1.275 1012 G CA 0.463 45.561 45.100 -0.004 0.000 0.769 1012 G HN 0.719 nan 8.290 nan 0.000 0.527 1013 R N -0.485 119.881 120.500 -0.222 0.000 2.621 1013 R HA 0.735 5.082 4.340 0.012 0.000 0.292 1013 R C -1.487 174.564 176.300 -0.416 0.000 0.969 1013 R CA -0.523 55.490 56.100 -0.145 0.000 0.887 1013 R CB 1.531 31.788 30.300 -0.071 0.000 1.180 1013 R HN 0.303 nan 8.270 nan 0.000 0.450 1014 Y N 0.270 120.552 120.300 -0.029 0.000 2.492 1014 Y HA 0.360 4.917 4.550 0.012 0.000 0.346 1014 Y C -0.603 175.416 175.900 0.197 0.000 0.997 1014 Y CA -0.825 57.203 58.100 -0.120 0.000 1.025 1014 Y CB 2.278 40.527 38.460 -0.353 0.000 1.263 1014 Y HN 0.583 nan 8.280 nan 0.000 0.454 1015 H N 2.978 122.297 119.070 0.415 0.000 2.667 1015 H HA 0.570 5.133 4.556 0.012 0.000 0.353 1015 H C -1.730 174.002 175.328 0.674 0.000 1.072 1015 H CA -0.843 55.460 56.048 0.425 0.000 1.214 1015 H CB 1.026 30.933 29.762 0.241 0.000 1.600 1015 H HN 0.579 nan 8.280 nan 0.000 0.527 1016 Y N 2.148 122.301 120.300 -0.244 0.000 2.625 1016 Y HA 0.528 5.086 4.550 0.012 0.000 0.338 1016 Y C -1.736 173.984 175.900 -0.300 0.000 1.123 1016 Y CA -1.174 56.834 58.100 -0.153 0.000 1.046 1016 Y CB 1.549 40.005 38.460 -0.007 0.000 1.299 1016 Y HN 0.748 nan 8.280 nan 0.000 0.464 1017 Q N 2.278 122.069 119.800 -0.014 0.000 2.309 1017 Q HA 0.760 5.107 4.340 0.012 0.000 0.273 1017 Q C -2.619 173.469 176.000 0.146 0.000 1.040 1017 Q CA -0.624 55.167 55.803 -0.019 0.000 0.834 1017 Q CB 2.565 31.328 28.738 0.041 0.000 1.345 1017 Q HN 0.872 nan 8.270 nan 0.000 0.414 1018 L N 1.755 123.055 121.223 0.128 0.000 2.376 1018 L HA 0.815 5.162 4.340 0.012 0.000 0.258 1018 L C -1.061 175.931 176.870 0.204 0.000 1.013 1018 L CA -1.235 53.725 54.840 0.201 0.000 0.822 1018 L CB 2.655 44.816 42.059 0.171 0.000 1.388 1018 L HN 0.544 nan 8.230 nan 0.000 0.413 1019 V N 0.619 120.677 119.914 0.240 0.000 2.384 1019 V HA 0.353 4.480 4.120 0.012 0.000 0.287 1019 V C -1.254 175.010 176.094 0.283 0.000 1.020 1019 V CA -0.340 62.105 62.300 0.242 0.000 0.850 1019 V CB 1.735 33.676 31.823 0.196 0.000 0.987 1019 V HN 0.618 nan 8.190 nan 0.000 0.436 1020 W N 7.398 128.767 121.300 0.116 0.000 2.329 1020 W HA 0.669 5.336 4.660 0.012 0.000 0.312 1020 W C -0.211 176.316 176.519 0.013 0.000 1.054 1020 W CA -1.052 56.290 57.345 -0.005 0.000 1.245 1020 W CB 1.328 30.844 29.460 0.094 0.000 1.255 1020 W HN 0.833 nan 8.180 nan 0.000 0.436 1021 C N 4.317 123.850 119.300 0.388 0.000 3.285 1021 C HA 0.629 5.097 4.460 0.012 0.000 0.320 1021 C C 0.039 175.148 174.990 0.199 0.000 1.411 1021 C CA -0.748 58.444 59.018 0.289 0.000 1.429 1021 C CB 1.754 29.601 27.740 0.179 0.000 1.812 1021 C HN 0.741 nan 8.230 nan 0.000 0.454 1022 Q N 1.106 120.984 119.800 0.131 0.000 2.204 1022 Q HA 0.754 5.101 4.340 0.012 0.000 0.175 1022 Q C -0.833 175.168 176.000 0.002 0.000 1.020 1022 Q CA -0.137 55.689 55.803 0.038 0.000 1.078 1022 Q CB 1.423 30.166 28.738 0.007 0.000 1.228 1022 Q HN 0.926 nan 8.270 nan 0.000 0.550 1023 K N 0.000 120.381 120.400 -0.031 0.000 2.780 1023 K HA 0.000 4.327 4.320 0.012 0.000 0.191 1023 K CA 0.000 56.270 56.287 -0.029 0.000 0.838 1023 K CB 0.000 32.486 32.500 -0.023 0.000 1.064 1023 K HN 0.000 nan 8.250 nan 0.000 0.543