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 1hn1_1_D DATA FIRST_RESID 13 DATA SEQUENCE RRDWENPGVT QLNRLAAHPP FASWRNSEEA RTDRPSQQLR SLNGEWRFAW DATA SEQUENCE FPAPEAVPES WLECDLPEAD TVVVPSNWQM HGYDAPIYTN VTYPITVNPP DATA SEQUENCE FVPTENPTGC YSLTFNVDES WLQEGQTRII FDGVNSAFHL WCNGRWVGYG DATA SEQUENCE QDSRLPSEFD LSAFLRAGEN RLAVMVLRWS DGSYLEDQDM WRMSGIFRDV DATA SEQUENCE SLLHKPTTQI SDFHVATRFN DDFSRAVLEA EVQMCGELRD YLRVTVSLWQ DATA SEQUENCE GETQVASGTA PFGGEIIDER GGYADRVTLR LNVENPKLWS AEIPNLYRAV DATA SEQUENCE VELHTADGTL IEAEACDVGF REVRIENGLL LLNGKPLLIR GVNRHEHHPL DATA SEQUENCE HGQVMDEQTM VQDILLMKQN NFNAVRCSHY PNHPLWYTLC DRYGLYVVDE DATA SEQUENCE ANIETHGMVP MNRLTDDPRW LPAMSERVTR MVQRDRNHPS VIIWSLGNES DATA SEQUENCE GHGANHDALY RWIKSVDPSR PVQYEGGGAD TTATDIICPM YARVDEDQPF DATA SEQUENCE PAVPKWSIKK WLSLPGETRP LILCEYAHAM GNSLGGFAKY WQAFRQYPRL DATA SEQUENCE QGGFVWDWVD QSLIKYDENG NPWSAYGGDF GDTPNDRQFC MNGLVFADRT DATA SEQUENCE PHPALTEAKH QQQFFQFRLS GQTIEVTSEY LFRHSDNELL HWMVALDGKP DATA SEQUENCE LASGEVPLDV APQGKQLIEL PELPQPESAG QLWLTVRVVQ PNATAWSEAG DATA SEQUENCE HISAWQQWRL AENLSVTLPA ASHAIPHLTT SEMDFCIELG NKRWQFNRQS DATA SEQUENCE GFLSQMWIGD KKQLLTPLRD QFTRAPLDND IGVSEATRID PNAWVERWKA DATA SEQUENCE AGHYQAEAAL LQCTADTLAD AVLITTAHAW QHQGKTLFIS RKTYRIDGSG DATA SEQUENCE QMAITVDVEV ASDTPHPARI GLNCQLAQVA ERVNWLGLGP QENYPDRLTA DATA SEQUENCE ACFDRWDLPL SDMYTPYVFP SENGLRCGTR ELNYGPHQWR GDFQFNISRY DATA SEQUENCE SQQQLMETSH RHLLHAEEGT WLNIDGFHMG IGGDDSWSPS VSAEFQLSAG DATA SEQUENCE RYHYQLVWCQ K VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 13 R HA 0.000 nan 4.340 nan 0.000 0.208 13 R C 0.000 176.081 176.300 -0.365 0.000 0.893 13 R CA 0.000 55.970 56.100 -0.216 0.000 0.921 13 R CB 0.000 30.181 30.300 -0.198 0.000 0.687 14 R N 2.292 122.478 120.500 -0.524 0.000 3.050 14 R HA 0.166 4.513 4.340 0.012 0.000 0.275 14 R C -0.044 175.752 176.300 -0.839 0.000 1.373 14 R CA -0.578 54.861 56.100 -1.102 0.000 1.612 14 R CB 0.505 29.990 30.300 -1.358 0.000 1.218 14 R HN 0.494 nan 8.270 nan 0.000 0.621 15 D N 0.992 121.086 120.400 -0.510 0.000 2.322 15 D HA -0.217 4.430 4.640 0.012 0.000 0.210 15 D C 1.118 177.384 176.300 -0.057 0.000 0.983 15 D CA 1.205 54.989 54.000 -0.359 0.000 0.902 15 D CB 0.133 40.561 40.800 -0.620 0.000 0.905 15 D HN 0.664 nan 8.370 nan 0.000 0.483 16 W N 1.015 122.362 121.300 0.079 0.000 3.256 16 W HA 0.282 4.949 4.660 0.011 0.000 0.269 16 W C 0.553 177.179 176.519 0.178 0.000 1.310 16 W CA -0.362 57.120 57.345 0.228 0.000 1.673 16 W CB -0.093 29.542 29.460 0.293 0.000 1.115 16 W HN -0.217 nan 8.180 nan 0.000 0.686 17 E N 1.021 121.124 120.200 -0.161 0.000 3.428 17 E HA 0.040 4.397 4.350 0.012 0.000 0.191 17 E C -0.931 175.545 176.600 -0.206 0.000 0.980 17 E CA -0.181 56.154 56.400 -0.108 0.000 1.305 17 E CB -0.204 29.413 29.700 -0.138 0.000 1.105 17 E HN 0.010 nan 8.360 nan 0.000 0.455 18 N N 0.800 119.403 118.700 -0.162 0.000 2.621 18 N HA 0.161 4.908 4.740 0.012 0.000 0.271 18 N C -2.390 173.006 175.510 -0.191 0.000 1.181 18 N CA -1.923 51.003 53.050 -0.207 0.000 0.805 18 N CB 1.377 39.744 38.487 -0.199 0.000 1.351 18 N HN -0.176 nan 8.380 nan 0.000 0.539 19 P HA 0.021 nan 4.420 nan 0.000 0.226 19 P C 1.169 178.280 177.300 -0.315 0.000 1.146 19 P CA 0.759 63.604 63.100 -0.425 0.000 0.773 19 P CB 0.140 31.222 31.700 -1.030 0.000 0.772 20 G N -0.609 108.036 108.800 -0.258 0.000 2.448 20 G HA2 -0.013 3.955 3.960 0.012 0.000 0.218 20 G HA3 -0.013 3.955 3.960 0.012 0.000 0.218 20 G C 0.304 175.136 174.900 -0.114 0.000 1.135 20 G CA 0.252 45.239 45.100 -0.188 0.000 0.784 20 G HN 0.233 nan 8.290 nan 0.000 0.543 21 V N 1.041 120.903 119.914 -0.087 0.000 2.350 21 V HA 0.378 4.505 4.120 0.012 0.000 0.285 21 V C 0.933 177.079 176.094 0.086 0.000 1.014 21 V CA 0.199 62.491 62.300 -0.014 0.000 0.831 21 V CB 1.398 33.184 31.823 -0.062 0.000 1.000 21 V HN 0.300 nan 8.190 nan 0.000 0.433 22 T N 1.477 116.080 114.554 0.081 0.000 3.001 22 T HA 0.338 4.695 4.350 0.012 0.000 0.251 22 T C 0.278 175.027 174.700 0.081 0.000 1.040 22 T CA 0.566 62.714 62.100 0.081 0.000 0.985 22 T CB 0.364 69.236 68.868 0.006 0.000 1.011 22 T HN 0.730 nan 8.240 nan 0.000 0.509 23 Q N 0.035 119.926 119.800 0.152 0.000 2.943 23 Q HA 0.672 5.019 4.340 0.012 0.000 0.305 23 Q C -2.278 173.856 176.000 0.222 0.000 0.873 23 Q CA -1.076 54.829 55.803 0.170 0.000 0.773 23 Q CB 0.731 29.480 28.738 0.017 0.000 1.501 23 Q HN 0.246 nan 8.270 nan 0.000 0.442 24 L N 0.880 122.258 121.223 0.258 0.000 2.513 24 L HA 0.585 4.932 4.340 0.012 0.000 0.261 24 L C -0.899 176.109 176.870 0.231 0.000 0.945 24 L CA -1.019 53.974 54.840 0.255 0.000 0.848 24 L CB 2.143 44.456 42.059 0.423 0.000 1.334 24 L HN 0.835 nan 8.230 nan 0.000 0.407 25 N N 0.747 119.550 118.700 0.172 0.000 2.708 25 N HA -0.230 4.517 4.740 0.012 0.000 0.249 25 N C -0.031 175.624 175.510 0.243 0.000 1.097 25 N CA 0.810 53.958 53.050 0.163 0.000 0.710 25 N CB -0.996 37.531 38.487 0.067 0.000 1.032 25 N HN 0.654 nan 8.380 nan 0.000 0.551 26 R N 0.982 121.526 120.500 0.073 0.000 2.254 26 R HA 0.348 4.696 4.340 0.012 0.000 0.318 26 R C 0.784 176.959 176.300 -0.209 0.000 1.031 26 R CA -0.537 55.381 56.100 -0.304 0.000 0.905 26 R CB 0.579 30.666 30.300 -0.355 0.000 1.050 26 R HN 0.111 nan 8.270 nan 0.000 0.456 27 L N 2.722 123.796 121.223 -0.249 0.000 2.456 27 L HA 0.095 4.442 4.340 0.012 0.000 0.266 27 L C 0.891 177.721 176.870 -0.066 0.000 1.258 27 L CA -0.035 54.751 54.840 -0.090 0.000 0.823 27 L CB 0.036 42.075 42.059 -0.033 0.000 1.100 27 L HN 0.766 nan 8.230 nan 0.000 0.531 28 A N 0.712 123.541 122.820 0.014 0.000 2.366 28 A HA 0.519 4.846 4.320 0.012 0.000 0.249 28 A C 0.216 177.844 177.584 0.074 0.000 1.084 28 A CA -0.004 52.057 52.037 0.041 0.000 0.794 28 A CB 0.353 19.399 19.000 0.077 0.000 1.034 28 A HN 0.789 nan 8.150 nan 0.000 0.491 29 A N 0.932 123.750 122.820 -0.004 0.000 2.351 29 A HA 0.690 5.017 4.320 0.012 0.000 0.257 29 A C 0.001 177.549 177.584 -0.060 0.000 1.087 29 A CA 0.464 52.425 52.037 -0.127 0.000 0.798 29 A CB -0.119 18.794 19.000 -0.146 0.000 1.033 29 A HN 2.084 nan 8.150 nan 0.000 0.488 30 H N -1.977 116.983 119.070 -0.184 0.000 2.938 30 H HA 0.507 5.070 4.556 0.012 0.000 0.273 30 H C -3.425 171.656 175.328 -0.412 0.000 1.380 30 H CA -1.589 54.308 56.048 -0.252 0.000 1.314 30 H CB -0.119 29.480 29.762 -0.271 0.000 1.880 30 H HN 0.393 nan 8.280 nan 0.000 0.489 31 P HA 0.115 nan 4.420 nan 0.000 0.268 31 P C -2.517 174.558 177.300 -0.374 0.000 1.208 31 P CA -0.995 61.926 63.100 -0.298 0.000 0.777 31 P CB -0.422 31.055 31.700 -0.370 0.000 0.875 32 P HA 0.032 nan 4.420 nan 0.000 0.261 32 P C -0.629 176.771 177.300 0.167 0.000 1.183 32 P CA 1.102 64.155 63.100 -0.077 0.000 0.761 32 P CB -0.132 31.593 31.700 0.042 0.000 0.785 33 F N 1.436 121.503 119.950 0.195 0.000 2.507 33 F HA 0.614 5.148 4.527 0.012 0.000 0.327 33 F C 1.105 176.884 175.800 -0.036 0.000 1.068 33 F CA -0.921 57.144 58.000 0.108 0.000 0.965 33 F CB 2.013 41.036 39.000 0.038 0.000 1.192 33 F HN 0.237 nan 8.300 nan 0.000 0.476 34 A N 0.323 123.185 122.820 0.070 0.000 2.377 34 A HA 0.228 4.555 4.320 0.012 0.000 0.174 34 A C 0.690 178.093 177.584 -0.302 0.000 1.663 34 A CA 0.572 52.404 52.037 -0.341 0.000 1.219 34 A CB -0.249 18.073 19.000 -1.130 0.000 1.499 34 A HN 0.921 nan 8.150 nan 0.000 0.481 35 S N 0.212 115.850 115.700 -0.104 0.000 3.608 35 S HA -0.155 4.322 4.470 0.012 0.000 0.382 35 S C 0.015 174.618 174.600 0.006 0.000 0.945 35 S CA 0.550 58.713 58.200 -0.061 0.000 1.256 35 S CB -1.903 61.224 63.200 -0.121 0.000 0.913 35 S HN 0.476 nan 8.310 nan 0.000 0.518 36 W N 1.819 123.122 121.300 0.005 0.000 2.148 36 W HA 0.213 4.880 4.660 0.011 0.000 0.347 36 W C 1.533 178.052 176.519 -0.001 0.000 1.288 36 W CA -0.522 56.831 57.345 0.015 0.000 1.252 36 W CB 0.272 29.738 29.460 0.011 0.000 1.156 36 W HN 0.417 nan 8.180 nan 0.000 0.580 37 R N 1.878 122.537 120.500 0.264 0.000 2.546 37 R HA 0.093 4.440 4.340 0.012 0.000 0.320 37 R C -0.094 176.282 176.300 0.127 0.000 1.021 37 R CA -0.145 56.047 56.100 0.153 0.000 1.088 37 R CB -0.033 30.324 30.300 0.095 0.000 1.278 37 R HN 0.313 nan 8.270 nan 0.000 0.557 38 N N 0.403 119.197 118.700 0.157 0.000 2.519 38 N HA 0.116 4.863 4.740 0.012 0.000 0.291 38 N C -0.003 175.486 175.510 -0.035 0.000 1.107 38 N CA -0.042 53.047 53.050 0.065 0.000 0.904 38 N CB 1.938 40.463 38.487 0.063 0.000 1.500 38 N HN -0.248 nan 8.380 nan 0.000 0.510 39 S N 2.624 118.282 115.700 -0.071 0.000 2.377 39 S HA -0.203 4.274 4.470 0.012 0.000 0.224 39 S C 1.307 175.750 174.600 -0.263 0.000 1.042 39 S CA 1.564 59.672 58.200 -0.153 0.000 1.086 39 S CB -0.217 62.929 63.200 -0.090 0.000 0.995 39 S HN 0.721 nan 8.310 nan 0.000 0.428 40 E N 0.908 120.985 120.200 -0.205 0.000 2.086 40 E HA -0.190 4.167 4.350 0.012 0.000 0.200 40 E C 2.027 178.458 176.600 -0.280 0.000 1.012 40 E CA 1.348 57.597 56.400 -0.252 0.000 0.812 40 E CB -0.364 29.239 29.700 -0.162 0.000 0.743 40 E HN 0.273 nan 8.360 nan 0.000 0.453 41 E N -0.232 119.851 120.200 -0.196 0.000 2.086 41 E HA -0.248 4.109 4.350 0.012 0.000 0.200 41 E C 1.775 178.034 176.600 -0.569 0.000 1.012 41 E CA 1.613 57.930 56.400 -0.139 0.000 0.812 41 E CB -0.617 29.180 29.700 0.163 0.000 0.743 41 E HN 0.339 nan 8.360 nan 0.000 0.453 42 A N 0.263 122.419 122.820 -1.107 0.000 1.841 42 A HA -0.174 4.153 4.320 0.012 0.000 0.214 42 A C 2.230 179.264 177.584 -0.918 0.000 1.195 42 A CA 1.814 52.778 52.037 -1.789 0.000 0.611 42 A CB -0.666 17.471 19.000 -1.438 0.000 0.835 42 A HN 0.227 nan 8.150 nan 0.000 0.443 43 R N -0.479 119.646 120.500 -0.624 0.000 2.140 43 R HA -0.211 4.136 4.340 0.012 0.000 0.250 43 R C 2.139 178.204 176.300 -0.393 0.000 1.150 43 R CA 2.484 58.264 56.100 -0.533 0.000 0.966 43 R CB -0.508 29.376 30.300 -0.693 0.000 0.869 43 R HN 0.697 nan 8.270 nan 0.000 0.445 44 T N -3.536 110.815 114.554 -0.338 0.000 3.065 44 T HA 0.030 4.387 4.350 0.012 0.000 0.252 44 T C 0.491 175.140 174.700 -0.085 0.000 1.099 44 T CA 0.634 62.622 62.100 -0.187 0.000 1.063 44 T CB 0.254 69.037 68.868 -0.142 0.000 0.948 44 T HN 0.390 nan 8.240 nan 0.000 0.506 45 D N 0.453 120.788 120.400 -0.108 0.000 3.099 45 D HA -0.151 4.496 4.640 0.012 0.000 0.213 45 D C -0.047 176.437 176.300 0.307 0.000 1.121 45 D CA 0.352 54.450 54.000 0.163 0.000 0.951 45 D CB -1.582 39.313 40.800 0.160 0.000 1.102 45 D HN 0.583 nan 8.370 nan 0.000 0.423 46 R N 0.594 121.244 120.500 0.250 0.000 2.694 46 R HA 0.367 4.714 4.340 0.012 0.000 0.268 46 R C -2.040 174.542 176.300 0.470 0.000 1.061 46 R CA -0.857 55.411 56.100 0.281 0.000 1.133 46 R CB 0.278 30.679 30.300 0.168 0.000 1.020 46 R HN 0.111 nan 8.270 nan 0.000 0.475 47 P HA -0.044 nan 4.420 nan 0.000 0.269 47 P C -0.728 176.609 177.300 0.061 0.000 1.209 47 P CA 0.061 63.243 63.100 0.137 0.000 0.776 47 P CB 0.876 32.627 31.700 0.085 0.000 0.876 48 S N 1.114 116.709 115.700 -0.174 0.000 2.480 48 S HA 0.121 4.598 4.470 0.012 0.000 0.286 48 S C 1.086 175.657 174.600 -0.049 0.000 1.180 48 S CA -0.470 57.578 58.200 -0.252 0.000 1.075 48 S CB 0.368 63.219 63.200 -0.582 0.000 0.996 48 S HN 0.289 nan 8.310 nan 0.000 0.487 49 Q N 2.638 122.461 119.800 0.039 0.000 2.369 49 Q HA -0.042 4.305 4.340 0.012 0.000 0.206 49 Q C 1.318 177.462 176.000 0.238 0.000 0.963 49 Q CA 0.756 56.630 55.803 0.119 0.000 0.894 49 Q CB -0.006 28.809 28.738 0.128 0.000 0.965 49 Q HN 0.678 nan 8.270 nan 0.000 0.475 50 Q N 0.133 120.034 119.800 0.169 0.000 2.403 50 Q HA 0.095 4.442 4.340 0.012 0.000 0.203 50 Q C -0.135 176.008 176.000 0.239 0.000 0.932 50 Q CA 0.275 56.194 55.803 0.193 0.000 0.945 50 Q CB 0.275 28.999 28.738 -0.023 0.000 1.045 50 Q HN 0.206 nan 8.270 nan 0.000 0.511 51 L N 2.293 123.621 121.223 0.174 0.000 2.353 51 L HA 0.326 4.673 4.340 0.012 0.000 0.270 51 L C -0.956 175.988 176.870 0.124 0.000 1.003 51 L CA -0.623 54.292 54.840 0.125 0.000 0.862 51 L CB 0.923 42.965 42.059 -0.027 0.000 1.221 51 L HN 0.038 nan 8.230 nan 0.000 0.430 52 R N 2.248 122.846 120.500 0.164 0.000 2.589 52 R HA 0.691 5.038 4.340 0.012 0.000 0.293 52 R C -0.259 176.045 176.300 0.007 0.000 0.963 52 R CA -0.697 55.437 56.100 0.056 0.000 0.905 52 R CB 1.546 31.832 30.300 -0.022 0.000 1.144 52 R HN 0.466 nan 8.270 nan 0.000 0.459 53 S N 1.849 117.543 115.700 -0.009 0.000 2.548 53 S HA 0.208 4.685 4.470 0.012 0.000 0.277 53 S C 0.635 175.223 174.600 -0.019 0.000 1.315 53 S CA -0.681 57.509 58.200 -0.015 0.000 1.050 53 S CB 0.358 63.561 63.200 0.006 0.000 0.918 53 S HN 0.621 nan 8.310 nan 0.000 0.497 54 L N 3.725 124.945 121.223 -0.004 0.000 2.741 54 L HA 0.265 4.612 4.340 0.012 0.000 0.237 54 L C -0.170 176.891 176.870 0.319 0.000 1.178 54 L CA -0.268 54.615 54.840 0.071 0.000 0.973 54 L CB -0.363 41.707 42.059 0.018 0.000 1.255 54 L HN 0.489 nan 8.230 nan 0.000 0.498 55 N N 1.095 119.903 118.700 0.181 0.000 2.520 55 N HA 0.549 5.296 4.740 0.012 0.000 0.273 55 N C 0.633 176.276 175.510 0.220 0.000 1.155 55 N CA 0.738 53.902 53.050 0.189 0.000 0.967 55 N CB 1.551 40.069 38.487 0.053 0.000 1.092 55 N HN 0.289 nan 8.380 nan 0.000 0.457 56 G N 0.990 109.960 108.800 0.283 0.000 2.286 56 G HA2 -0.106 3.861 3.960 0.012 0.000 0.118 56 G HA3 -0.106 3.861 3.960 0.012 0.000 0.118 56 G C -1.537 173.594 174.900 0.385 0.000 1.267 56 G CA -0.781 44.465 45.100 0.243 0.000 1.171 56 G HN 0.463 nan 8.290 nan 0.000 0.465 57 E N 0.298 120.676 120.200 0.296 0.000 2.324 57 E HA 0.404 4.761 4.350 0.012 0.000 0.271 57 E C -1.123 175.712 176.600 0.391 0.000 1.028 57 E CA 0.372 56.953 56.400 0.300 0.000 0.890 57 E CB 0.892 30.686 29.700 0.156 0.000 1.004 57 E HN 0.341 nan 8.360 nan 0.000 0.431 58 W N 1.433 122.823 121.300 0.150 0.000 3.031 58 W HA 0.336 5.004 4.660 0.012 0.000 0.337 58 W C 0.101 176.754 176.519 0.224 0.000 1.187 58 W CA -0.826 56.647 57.345 0.214 0.000 1.166 58 W CB 0.973 30.621 29.460 0.314 0.000 1.437 58 W HN 0.167 nan 8.180 nan 0.000 0.551 59 R N 1.963 122.751 120.500 0.481 0.000 2.265 59 R HA 0.483 4.831 4.340 0.012 0.000 0.319 59 R C -1.435 175.093 176.300 0.381 0.000 1.006 59 R CA -0.758 55.554 56.100 0.354 0.000 0.880 59 R CB 1.270 31.711 30.300 0.236 0.000 1.077 59 R HN 0.372 nan 8.270 nan 0.000 0.454 60 F N 1.811 121.800 119.950 0.065 0.000 2.467 60 F HA 0.563 5.097 4.527 0.012 0.000 0.336 60 F C -1.018 174.673 175.800 -0.180 0.000 1.123 60 F CA -0.800 57.097 58.000 -0.172 0.000 0.964 60 F CB 1.688 40.467 39.000 -0.368 0.000 1.136 60 F HN 0.584 nan 8.300 nan 0.000 0.447 61 A N 5.990 128.057 122.820 -1.256 0.000 2.359 61 A HA 0.492 4.819 4.320 0.012 0.000 0.303 61 A C -2.040 174.678 177.584 -1.443 0.000 1.066 61 A CA -0.520 50.893 52.037 -1.040 0.000 0.730 61 A CB 0.398 19.127 19.000 -0.452 0.000 1.211 61 A HN 0.942 nan 8.150 nan 0.000 0.439 62 W N 3.219 123.679 121.300 -1.399 0.000 2.438 62 W HA 0.732 5.399 4.660 0.012 0.000 0.324 62 W C -1.694 174.166 176.519 -1.098 0.000 1.119 62 W CA -0.307 56.404 57.345 -1.057 0.000 1.221 62 W CB 0.982 30.178 29.460 -0.440 0.000 1.253 62 W HN 0.510 nan 8.180 nan 0.000 0.555 63 F N 5.527 124.965 119.950 -0.852 0.000 2.588 63 F HA 0.368 4.902 4.527 0.012 0.000 0.314 63 F C -1.441 173.567 175.800 -1.321 0.000 1.069 63 F CA -2.299 55.283 58.000 -0.696 0.000 0.931 63 F CB 1.755 40.439 39.000 -0.527 0.000 1.260 63 F HN 0.195 nan 8.300 nan 0.000 0.465 64 P HA 0.249 nan 4.420 nan 0.000 0.255 64 P C -0.581 176.646 177.300 -0.123 0.000 1.248 64 P CA 0.517 63.478 63.100 -0.232 0.000 0.807 64 P CB 0.747 32.549 31.700 0.170 0.000 1.150 65 A N -0.075 122.661 122.820 -0.139 0.000 2.586 65 A HA 0.481 4.808 4.320 0.012 0.000 0.296 65 A C -2.566 174.935 177.584 -0.139 0.000 1.040 65 A CA -0.824 51.165 52.037 -0.079 0.000 0.701 65 A CB 0.309 19.316 19.000 0.011 0.000 1.277 65 A HN -0.304 nan 8.150 nan 0.000 0.413 66 P HA -0.104 nan 4.420 nan 0.000 0.218 66 P C 0.762 177.977 177.300 -0.142 0.000 1.149 66 P CA 1.651 64.634 63.100 -0.194 0.000 0.817 66 P CB 0.205 31.772 31.700 -0.221 0.000 0.785 67 E N 0.584 120.757 120.200 -0.045 0.000 2.204 67 E HA -0.058 4.299 4.350 0.012 0.000 0.194 67 E C 2.101 178.647 176.600 -0.089 0.000 0.989 67 E CA 1.195 57.577 56.400 -0.030 0.000 0.824 67 E CB -1.207 28.514 29.700 0.034 0.000 0.756 67 E HN 0.207 nan 8.360 nan 0.000 0.477 68 A N 0.933 123.690 122.820 -0.106 0.000 2.216 68 A HA -0.006 4.322 4.320 0.012 0.000 0.214 68 A C 0.854 178.235 177.584 -0.337 0.000 1.160 68 A CA 0.227 52.204 52.037 -0.100 0.000 0.725 68 A CB -0.280 18.746 19.000 0.044 0.000 0.784 68 A HN 0.078 nan 8.150 nan 0.000 0.472 69 V N 2.192 121.795 119.914 -0.519 0.000 2.555 69 V HA 0.212 4.339 4.120 0.012 0.000 0.286 69 V C -2.255 173.606 176.094 -0.389 0.000 1.044 69 V CA -1.600 60.227 62.300 -0.789 0.000 1.026 69 V CB 0.734 32.025 31.823 -0.887 0.000 0.981 69 V HN 0.255 nan 8.190 nan 0.000 0.480 70 P HA 0.244 nan 4.420 nan 0.000 0.276 70 P C 0.261 177.519 177.300 -0.071 0.000 1.235 70 P CA -0.318 62.707 63.100 -0.126 0.000 0.772 70 P CB 1.086 32.756 31.700 -0.049 0.000 0.871 71 E N 1.465 121.628 120.200 -0.061 0.000 2.118 71 E HA -0.149 4.208 4.350 0.012 0.000 0.195 71 E C 1.846 178.409 176.600 -0.062 0.000 0.992 71 E CA 1.523 57.880 56.400 -0.071 0.000 0.804 71 E CB -1.099 28.562 29.700 -0.065 0.000 0.741 71 E HN 0.433 nan 8.360 nan 0.000 0.458 72 S N 0.595 116.281 115.700 -0.024 0.000 2.400 72 S HA -0.250 4.227 4.470 0.012 0.000 0.234 72 S C 1.615 176.214 174.600 -0.001 0.000 1.049 72 S CA 1.355 59.548 58.200 -0.011 0.000 1.039 72 S CB -0.835 62.378 63.200 0.022 0.000 0.856 72 S HN 0.530 nan 8.310 nan 0.000 0.465 73 W N 2.450 123.657 121.300 -0.155 0.000 2.341 73 W HA -0.108 4.559 4.660 0.012 0.000 0.283 73 W C 1.561 177.976 176.519 -0.173 0.000 1.215 73 W CA 0.830 58.083 57.345 -0.152 0.000 1.211 73 W CB -0.511 28.826 29.460 -0.206 0.000 1.131 73 W HN 0.247 nan 8.180 nan 0.000 0.552 74 L N -0.058 120.888 121.223 -0.463 0.000 2.005 74 L HA -0.175 4.173 4.340 0.012 0.000 0.207 74 L C 2.558 179.179 176.870 -0.416 0.000 1.072 74 L CA 1.754 56.188 54.840 -0.676 0.000 0.744 74 L CB -0.924 40.778 42.059 -0.595 0.000 0.895 74 L HN -0.119 nan 8.230 nan 0.000 0.433 75 E N -0.373 119.681 120.200 -0.243 0.000 2.015 75 E HA -0.106 4.252 4.350 0.012 0.000 0.191 75 E C 0.516 177.039 176.600 -0.128 0.000 0.991 75 E CA 1.206 57.520 56.400 -0.144 0.000 0.802 75 E CB 0.120 29.768 29.700 -0.087 0.000 0.759 75 E HN 0.603 nan 8.360 nan 0.000 0.447 76 C N -1.611 117.627 119.300 -0.104 0.000 3.236 76 C HA 0.613 5.080 4.460 0.012 0.000 0.312 76 C C -0.026 174.956 174.990 -0.013 0.000 1.374 76 C CA -1.651 57.330 59.018 -0.061 0.000 1.455 76 C CB 0.840 28.563 27.740 -0.028 0.000 1.834 76 C HN 0.149 nan 8.230 nan 0.000 0.460 77 D N 0.102 120.516 120.400 0.024 0.000 2.364 77 D HA 0.283 4.930 4.640 0.012 0.000 0.236 77 D C -0.328 176.049 176.300 0.128 0.000 1.221 77 D CA 0.273 54.335 54.000 0.104 0.000 0.891 77 D CB 0.420 41.276 40.800 0.094 0.000 1.190 77 D HN 0.493 nan 8.370 nan 0.000 0.449 78 L N 3.574 124.902 121.223 0.174 0.000 2.314 78 L HA 0.181 4.528 4.340 0.012 0.000 0.275 78 L C -1.434 175.490 176.870 0.089 0.000 1.068 78 L CA -1.548 53.377 54.840 0.143 0.000 0.894 78 L CB 0.892 43.058 42.059 0.178 0.000 1.275 78 L HN 0.336 nan 8.230 nan 0.000 0.432 79 P HA -0.290 nan 4.420 nan 0.000 0.233 79 P C 0.777 178.099 177.300 0.038 0.000 1.146 79 P CA 1.735 64.863 63.100 0.046 0.000 0.931 79 P CB 0.385 32.107 31.700 0.036 0.000 0.777 80 E N -0.878 119.342 120.200 0.033 0.000 2.318 80 E HA 0.237 4.595 4.350 0.012 0.000 0.193 80 E C 1.078 177.684 176.600 0.008 0.000 0.998 80 E CA 0.334 56.741 56.400 0.012 0.000 0.859 80 E CB -0.685 29.011 29.700 -0.007 0.000 0.812 80 E HN 0.256 nan 8.360 nan 0.000 0.492 81 A N 2.077 124.909 122.820 0.020 0.000 2.565 81 A HA -0.034 4.293 4.320 0.012 0.000 0.237 81 A C 0.061 177.686 177.584 0.068 0.000 1.053 81 A CA 0.124 52.170 52.037 0.016 0.000 0.755 81 A CB 0.080 19.114 19.000 0.056 0.000 0.980 81 A HN 0.036 nan 8.150 nan 0.000 0.506 82 D N 0.879 121.347 120.400 0.114 0.000 2.411 82 D HA 0.315 4.962 4.640 0.012 0.000 0.251 82 D C -0.247 176.159 176.300 0.177 0.000 1.201 82 D CA 0.400 54.496 54.000 0.161 0.000 0.996 82 D CB 0.707 41.653 40.800 0.243 0.000 1.101 82 D HN 0.439 nan 8.370 nan 0.000 0.504 83 T N 0.604 115.247 114.554 0.148 0.000 2.788 83 T HA 0.419 4.776 4.350 0.012 0.000 0.296 83 T C 0.145 174.932 174.700 0.145 0.000 1.009 83 T CA -0.624 61.571 62.100 0.158 0.000 0.949 83 T CB 0.750 69.684 68.868 0.109 0.000 0.946 83 T HN 0.266 nan 8.240 nan 0.000 0.453 84 V N 2.033 122.067 119.914 0.200 0.000 3.204 84 V HA 0.860 4.987 4.120 0.012 0.000 0.316 84 V C -0.134 176.064 176.094 0.174 0.000 1.160 84 V CA -0.865 61.500 62.300 0.108 0.000 1.044 84 V CB 1.665 33.511 31.823 0.039 0.000 1.136 84 V HN 0.484 nan 8.190 nan 0.000 0.455 85 V N 0.449 120.438 119.914 0.125 0.000 2.612 85 V HA 0.708 4.835 4.120 0.012 0.000 0.301 85 V C -0.522 175.637 176.094 0.108 0.000 1.046 85 V CA -0.155 62.230 62.300 0.141 0.000 0.946 85 V CB 1.857 33.731 31.823 0.086 0.000 1.003 85 V HN 0.819 nan 8.190 nan 0.000 0.459 86 V N 7.495 127.416 119.914 0.012 0.000 2.577 86 V HA 0.509 4.636 4.120 0.012 0.000 0.303 86 V C -2.390 173.619 176.094 -0.141 0.000 1.042 86 V CA -1.384 60.794 62.300 -0.203 0.000 0.872 86 V CB 2.056 33.410 31.823 -0.781 0.000 0.998 86 V HN 0.796 nan 8.190 nan 0.000 0.423 87 P HA 0.647 nan 4.420 nan 0.000 0.278 87 P C -0.687 176.578 177.300 -0.058 0.000 1.266 87 P CA -0.311 62.700 63.100 -0.147 0.000 0.807 87 P CB 1.673 33.300 31.700 -0.122 0.000 1.094 88 S N -0.795 114.892 115.700 -0.023 0.000 2.688 88 S HA 0.302 4.779 4.470 0.012 0.000 0.266 88 S C -1.643 172.936 174.600 -0.034 0.000 1.061 88 S CA -1.016 57.167 58.200 -0.028 0.000 0.844 88 S CB -0.200 62.982 63.200 -0.030 0.000 1.103 88 S HN 0.345 nan 8.310 nan 0.000 0.471 89 N N 1.357 119.960 118.700 -0.162 0.000 2.511 89 N HA 0.401 5.148 4.740 0.012 0.000 0.249 89 N C 0.443 175.806 175.510 -0.244 0.000 0.971 89 N CA -0.737 52.184 53.050 -0.216 0.000 0.938 89 N CB 0.636 38.964 38.487 -0.264 0.000 1.131 89 N HN 0.799 nan 8.380 nan 0.000 0.505 90 W N 2.751 123.872 121.300 -0.299 0.000 2.359 90 W HA -0.176 4.491 4.660 0.012 0.000 0.275 90 W C 0.887 177.349 176.519 -0.095 0.000 1.217 90 W CA 1.083 58.238 57.345 -0.316 0.000 1.196 90 W CB -0.447 28.787 29.460 -0.377 0.000 1.129 90 W HN 0.492 nan 8.180 nan 0.000 0.566 91 Q N 0.063 119.931 119.800 0.115 0.000 2.224 91 Q HA -0.108 4.239 4.340 0.012 0.000 0.203 91 Q C 2.289 178.258 176.000 -0.051 0.000 0.970 91 Q CA 1.879 57.712 55.803 0.051 0.000 0.865 91 Q CB -0.488 28.152 28.738 -0.163 0.000 0.922 91 Q HN 0.225 nan 8.270 nan 0.000 0.445 92 M N -0.653 118.850 119.600 -0.162 0.000 2.296 92 M HA -0.109 4.378 4.480 0.012 0.000 0.265 92 M C 0.613 176.909 176.300 -0.007 0.000 1.064 92 M CA 1.618 56.813 55.300 -0.175 0.000 1.109 92 M CB -0.666 31.775 32.600 -0.264 0.000 1.396 92 M HN 0.340 nan 8.290 nan 0.000 0.430 93 H N -0.663 118.479 119.070 0.120 0.000 2.524 93 H HA 0.361 4.924 4.556 0.012 0.000 0.299 93 H C 0.851 176.238 175.328 0.097 0.000 1.074 93 H CA -0.182 55.950 56.048 0.139 0.000 1.115 93 H CB -0.212 29.701 29.762 0.251 0.000 1.522 93 H HN 0.520 nan 8.280 nan 0.000 0.543 94 G N 0.983 109.883 108.800 0.167 0.000 2.393 94 G HA2 -0.355 3.612 3.960 0.012 0.000 0.299 94 G HA3 -0.355 3.612 3.960 0.012 0.000 0.299 94 G C 0.027 174.873 174.900 -0.089 0.000 0.990 94 G CA 0.473 45.601 45.100 0.047 0.000 1.118 94 G HN 0.501 nan 8.290 nan 0.000 0.513 95 Y N 0.406 120.677 120.300 -0.047 0.000 2.397 95 Y HA 0.224 4.781 4.550 0.012 0.000 0.292 95 Y C 1.556 177.114 175.900 -0.570 0.000 1.115 95 Y CA 1.034 58.893 58.100 -0.401 0.000 1.208 95 Y CB 0.342 38.469 38.460 -0.556 0.000 1.046 95 Y HN 0.665 nan 8.280 nan 0.000 0.552 96 D N -1.621 118.824 120.400 0.075 0.000 2.759 96 D HA 0.534 5.181 4.640 0.012 0.000 0.321 96 D C -1.089 175.304 176.300 0.156 0.000 1.267 96 D CA -0.975 53.096 54.000 0.119 0.000 0.933 96 D CB 1.025 42.063 40.800 0.396 0.000 1.431 96 D HN -0.067 nan 8.370 nan 0.000 0.504 97 A N -0.222 122.691 122.820 0.154 0.000 2.303 97 A HA 0.724 5.051 4.320 0.012 0.000 0.317 97 A C -2.483 175.136 177.584 0.058 0.000 1.149 97 A CA -1.344 50.755 52.037 0.104 0.000 0.822 97 A CB 0.454 19.581 19.000 0.212 0.000 1.131 97 A HN 0.514 nan 8.150 nan 0.000 0.493 98 P HA 0.424 nan 4.420 nan 0.000 0.280 98 P C -0.952 176.551 177.300 0.339 0.000 1.244 98 P CA 0.174 63.245 63.100 -0.049 0.000 0.784 98 P CB 0.546 31.917 31.700 -0.547 0.000 0.913 99 I N 3.050 123.878 120.570 0.430 0.000 2.404 99 I HA 0.313 4.490 4.170 0.012 0.000 0.293 99 I C -0.336 175.959 176.117 0.296 0.000 0.992 99 I CA -1.095 60.442 61.300 0.395 0.000 1.149 99 I CB 1.273 39.427 38.000 0.257 0.000 1.315 99 I HN 0.281 nan 8.210 nan 0.000 0.446 100 Y N 5.827 126.030 120.300 -0.162 0.000 2.417 100 Y HA 0.568 5.124 4.550 0.011 0.000 0.336 100 Y C -0.328 175.365 175.900 -0.345 0.000 0.961 100 Y CA -0.289 57.373 58.100 -0.730 0.000 1.215 100 Y CB 1.145 38.450 38.460 -1.925 0.000 1.120 100 Y HN 0.626 nan 8.280 nan 0.000 0.499 101 T N 5.062 118.977 114.554 -1.066 0.000 2.903 101 T HA 0.267 4.624 4.350 0.012 0.000 0.299 101 T C -0.072 174.111 174.700 -0.863 0.000 1.093 101 T CA -0.568 60.964 62.100 -0.946 0.000 1.002 101 T CB 1.348 69.956 68.868 -0.435 0.000 1.127 101 T HN 0.766 nan 8.240 nan 0.000 0.488 102 N N 1.897 120.174 118.700 -0.705 0.000 2.531 102 N HA 0.132 4.879 4.740 0.012 0.000 0.223 102 N C 1.626 176.854 175.510 -0.469 0.000 1.023 102 N CA 1.161 53.933 53.050 -0.464 0.000 1.124 102 N CB -0.633 37.605 38.487 -0.414 0.000 1.427 102 N HN 0.322 nan 8.380 nan 0.000 0.558 103 V N 0.811 120.380 119.914 -0.575 0.000 2.379 103 V HA 0.059 4.186 4.120 0.012 0.000 0.243 103 V C 0.244 176.028 176.094 -0.517 0.000 1.035 103 V CA 1.141 63.031 62.300 -0.684 0.000 1.035 103 V CB -0.715 30.640 31.823 -0.780 0.000 0.673 103 V HN 0.402 nan 8.190 nan 0.000 0.457 104 T N 1.074 115.389 114.554 -0.398 0.000 2.831 104 T HA 0.064 4.422 4.350 0.012 0.000 0.291 104 T C -0.338 174.220 174.700 -0.238 0.000 0.981 104 T CA 0.255 62.194 62.100 -0.270 0.000 1.174 104 T CB -0.391 68.360 68.868 -0.194 0.000 0.929 104 T HN 0.205 nan 8.240 nan 0.000 0.532 105 Y N 4.755 124.961 120.300 -0.156 0.000 2.702 105 Y HA 0.105 4.662 4.550 0.012 0.000 0.336 105 Y C -0.993 174.783 175.900 -0.206 0.000 1.235 105 Y CA -1.801 56.196 58.100 -0.171 0.000 1.492 105 Y CB 0.484 38.846 38.460 -0.162 0.000 1.308 105 Y HN 0.517 nan 8.280 nan 0.000 0.589 106 P HA 0.038 nan 4.420 nan 0.000 0.253 106 P C -0.650 176.457 177.300 -0.321 0.000 1.281 106 P CA 0.961 63.973 63.100 -0.147 0.000 0.792 106 P CB -0.324 31.322 31.700 -0.090 0.000 1.193 107 I N -6.866 113.512 120.570 -0.321 0.000 3.006 107 I HA 0.442 4.619 4.170 0.012 0.000 0.306 107 I C -0.710 175.289 176.117 -0.198 0.000 1.250 107 I CA -1.214 59.853 61.300 -0.388 0.000 0.996 107 I CB 1.820 39.355 38.000 -0.776 0.000 1.261 107 I HN -0.506 nan 8.210 nan 0.000 0.442 108 T N 2.622 117.099 114.554 -0.129 0.000 2.902 108 T HA 0.145 4.502 4.350 0.012 0.000 0.301 108 T C 0.107 174.792 174.700 -0.025 0.000 1.012 108 T CA -0.021 62.052 62.100 -0.046 0.000 1.151 108 T CB 0.528 69.393 68.868 -0.005 0.000 0.946 108 T HN 0.375 nan 8.240 nan 0.000 0.542 109 V N 5.756 125.681 119.914 0.018 0.000 2.364 109 V HA 0.182 4.309 4.120 0.012 0.000 0.252 109 V C 0.614 176.776 176.094 0.114 0.000 1.075 109 V CA -0.029 62.316 62.300 0.075 0.000 1.033 109 V CB -0.183 31.668 31.823 0.046 0.000 1.116 109 V HN 0.792 nan 8.190 nan 0.000 0.488 110 N N 6.419 125.266 118.700 0.244 0.000 2.716 110 N HA 0.312 5.059 4.740 0.012 0.000 0.245 110 N C -3.052 172.568 175.510 0.183 0.000 1.495 110 N CA -1.503 51.669 53.050 0.203 0.000 0.759 110 N CB 1.639 40.266 38.487 0.232 0.000 1.261 110 N HN 0.207 nan 8.380 nan 0.000 0.515 111 P HA 0.159 nan 4.420 nan 0.000 0.264 111 P C -2.262 174.829 177.300 -0.347 0.000 1.193 111 P CA -0.728 61.988 63.100 -0.640 0.000 0.763 111 P CB 0.552 31.758 31.700 -0.822 0.000 0.810 112 P HA 0.245 nan 4.420 nan 0.000 0.278 112 P C -0.626 176.616 177.300 -0.096 0.000 1.502 112 P CA -0.260 62.623 63.100 -0.363 0.000 1.114 112 P CB 0.197 31.647 31.700 -0.417 0.000 1.541 113 F N 0.896 121.005 119.950 0.264 0.000 2.375 113 F HA 0.311 4.845 4.527 0.012 0.000 0.333 113 F C 1.437 177.400 175.800 0.272 0.000 1.104 113 F CA -1.099 57.046 58.000 0.242 0.000 1.149 113 F CB 0.659 39.739 39.000 0.134 0.000 1.190 113 F HN -0.241 nan 8.300 nan 0.000 0.533 114 V N -0.262 119.914 119.914 0.436 0.000 3.234 114 V HA 0.716 4.843 4.120 0.012 0.000 0.317 114 V C -2.627 173.624 176.094 0.262 0.000 1.081 114 V CA -2.396 60.068 62.300 0.273 0.000 1.037 114 V CB 0.995 33.056 31.823 0.397 0.000 1.148 114 V HN 0.522 nan 8.190 nan 0.000 0.453 115 P HA 0.364 nan 4.420 nan 0.000 0.287 115 P C 0.908 178.351 177.300 0.238 0.000 1.270 115 P CA -0.010 63.196 63.100 0.176 0.000 0.844 115 P CB 1.274 33.036 31.700 0.103 0.000 1.068 116 T N -1.007 113.657 114.554 0.183 0.000 2.620 116 T HA -0.247 4.110 4.350 0.012 0.000 0.267 116 T C 0.485 175.297 174.700 0.187 0.000 1.044 116 T CA 1.329 63.535 62.100 0.177 0.000 1.161 116 T CB -1.221 67.721 68.868 0.122 0.000 0.862 116 T HN 0.457 nan 8.240 nan 0.000 0.438 117 E N 2.655 122.970 120.200 0.190 0.000 2.104 117 E HA 0.271 4.628 4.350 0.012 0.000 0.278 117 E C -0.453 176.306 176.600 0.266 0.000 1.127 117 E CA -0.275 56.245 56.400 0.200 0.000 0.897 117 E CB 0.133 29.958 29.700 0.208 0.000 1.043 117 E HN 0.258 nan 8.360 nan 0.000 0.410 118 N N 4.596 123.399 118.700 0.171 0.000 2.727 118 N HA 0.189 4.936 4.740 0.012 0.000 0.252 118 N C -2.809 172.660 175.510 -0.068 0.000 1.283 118 N CA -2.369 50.761 53.050 0.133 0.000 0.782 118 N CB 0.906 39.466 38.487 0.121 0.000 1.199 118 N HN 0.086 nan 8.380 nan 0.000 0.520 119 P HA -0.104 nan 4.420 nan 0.000 0.255 119 P C -0.663 176.474 177.300 -0.271 0.000 1.132 119 P CA 0.825 63.791 63.100 -0.223 0.000 0.766 119 P CB 0.137 32.045 31.700 0.347 0.000 0.715 120 T N 3.318 117.461 114.554 -0.685 0.000 2.770 120 T HA 0.513 4.870 4.350 0.012 0.000 0.283 120 T C 0.509 174.778 174.700 -0.718 0.000 0.988 120 T CA -0.437 61.397 62.100 -0.443 0.000 0.957 120 T CB 1.265 69.926 68.868 -0.345 0.000 0.930 120 T HN 0.338 nan 8.240 nan 0.000 0.443 121 G N 1.616 110.129 108.800 -0.479 0.000 2.356 121 G HA2 0.450 4.417 3.960 0.012 0.000 0.312 121 G HA3 0.450 4.417 3.960 0.012 0.000 0.312 121 G C -0.108 174.693 174.900 -0.165 0.000 1.096 121 G CA -0.368 44.404 45.100 -0.546 0.000 0.950 121 G HN 0.860 nan 8.290 nan 0.000 0.428 122 C N 3.470 122.439 119.300 -0.551 0.000 2.223 122 C HA 0.503 4.970 4.460 0.012 0.000 0.324 122 C C -0.452 174.490 174.990 -0.080 0.000 1.196 122 C CA -1.057 57.690 59.018 -0.451 0.000 1.628 122 C CB -1.645 25.361 27.740 -1.222 0.000 2.229 122 C HN 0.632 nan 8.230 nan 0.000 0.486 123 Y N 1.532 122.095 120.300 0.440 0.000 2.496 123 Y HA 0.707 5.264 4.550 0.012 0.000 0.331 123 Y C 0.751 177.120 175.900 0.781 0.000 1.140 123 Y CA -0.473 58.008 58.100 0.634 0.000 1.166 123 Y CB 1.427 40.259 38.460 0.620 0.000 1.249 123 Y HN 0.685 nan 8.280 nan 0.000 0.479 124 S N 1.607 117.838 115.700 0.885 0.000 2.547 124 S HA 0.737 5.214 4.470 0.012 0.000 0.270 124 S C -1.882 172.853 174.600 0.225 0.000 1.150 124 S CA -0.858 57.656 58.200 0.523 0.000 0.850 124 S CB 2.085 65.521 63.200 0.393 0.000 1.118 124 S HN 0.670 nan 8.310 nan 0.000 0.461 125 L N 0.659 121.832 121.223 -0.085 0.000 2.588 125 L HA 0.688 5.035 4.340 0.012 0.000 0.263 125 L C -1.418 175.387 176.870 -0.107 0.000 0.935 125 L CA 0.083 54.687 54.840 -0.394 0.000 0.891 125 L CB 2.264 43.463 42.059 -1.433 0.000 1.318 125 L HN 0.785 nan 8.230 nan 0.000 0.409 126 T N 5.826 120.333 114.554 -0.079 0.000 2.743 126 T HA 0.658 5.015 4.350 0.012 0.000 0.292 126 T C -0.776 173.946 174.700 0.037 0.000 0.972 126 T CA -0.000 62.093 62.100 -0.012 0.000 0.967 126 T CB 0.030 68.867 68.868 -0.052 0.000 0.926 126 T HN 0.438 nan 8.240 nan 0.000 0.459 127 F N 1.643 121.504 119.950 -0.147 0.000 2.629 127 F HA 0.804 5.338 4.527 0.012 0.000 0.316 127 F C -0.619 175.120 175.800 -0.102 0.000 1.081 127 F CA -1.547 56.372 58.000 -0.135 0.000 0.954 127 F CB 1.354 40.261 39.000 -0.155 0.000 1.337 127 F HN 0.423 nan 8.300 nan 0.000 0.474 128 N N 0.591 119.211 118.700 -0.132 0.000 2.384 128 N HA 0.629 5.376 4.740 0.012 0.000 0.301 128 N C -1.618 173.826 175.510 -0.110 0.000 1.133 128 N CA -0.979 51.932 53.050 -0.231 0.000 0.853 128 N CB 2.385 40.776 38.487 -0.159 0.000 1.241 128 N HN 0.817 nan 8.380 nan 0.000 0.502 129 V N -0.646 119.173 119.914 -0.158 0.000 2.864 129 V HA 0.446 4.573 4.120 0.012 0.000 0.314 129 V C -0.504 175.479 176.094 -0.186 0.000 1.073 129 V CA -0.836 61.380 62.300 -0.138 0.000 0.956 129 V CB 1.752 33.591 31.823 0.028 0.000 1.023 129 V HN 0.836 nan 8.190 nan 0.000 0.435 130 D N 2.595 122.770 120.400 -0.375 0.000 2.406 130 D HA 0.006 4.653 4.640 0.012 0.000 0.234 130 D C 0.859 177.130 176.300 -0.047 0.000 1.196 130 D CA 0.783 54.626 54.000 -0.261 0.000 0.881 130 D CB 1.589 42.163 40.800 -0.376 0.000 1.205 130 D HN 0.903 nan 8.370 nan 0.000 0.453 131 E N 0.547 120.744 120.200 -0.004 0.000 2.122 131 E HA -0.121 4.237 4.350 0.012 0.000 0.190 131 E C 1.824 178.481 176.600 0.095 0.000 0.977 131 E CA 1.496 57.919 56.400 0.039 0.000 0.820 131 E CB -0.218 29.491 29.700 0.016 0.000 0.770 131 E HN 0.414 nan 8.360 nan 0.000 0.462 132 S N -0.488 115.280 115.700 0.113 0.000 2.402 132 S HA -0.192 4.285 4.470 0.012 0.000 0.233 132 S C 1.771 176.468 174.600 0.162 0.000 1.030 132 S CA 1.090 59.371 58.200 0.135 0.000 1.003 132 S CB -0.928 62.360 63.200 0.148 0.000 0.813 132 S HN 0.389 nan 8.310 nan 0.000 0.477 133 W N 2.268 123.466 121.300 -0.169 0.000 2.363 133 W HA 0.188 4.855 4.660 0.012 0.000 0.296 133 W C 2.248 178.768 176.519 0.002 0.000 1.212 133 W CA 0.360 57.551 57.345 -0.256 0.000 1.260 133 W CB -0.730 28.645 29.460 -0.143 0.000 1.131 133 W HN 0.312 nan 8.180 nan 0.000 0.530 134 L N -0.779 120.599 121.223 0.258 0.000 2.240 134 L HA -0.067 4.280 4.340 0.012 0.000 0.211 134 L C 2.185 179.132 176.870 0.128 0.000 1.106 134 L CA 0.844 55.794 54.840 0.184 0.000 0.793 134 L CB -1.326 40.815 42.059 0.137 0.000 0.927 134 L HN 0.029 nan 8.230 nan 0.000 0.446 135 Q N 0.361 120.225 119.800 0.106 0.000 2.084 135 Q HA -0.038 4.309 4.340 0.012 0.000 0.202 135 Q C 0.095 176.139 176.000 0.074 0.000 0.978 135 Q CA 1.034 56.882 55.803 0.075 0.000 0.844 135 Q CB 0.227 29.000 28.738 0.058 0.000 0.898 135 Q HN 0.408 nan 8.270 nan 0.000 0.426 136 E N -1.567 118.690 120.200 0.095 0.000 2.363 136 E HA 0.482 4.839 4.350 0.012 0.000 0.281 136 E C -0.513 176.172 176.600 0.142 0.000 0.953 136 E CA 0.315 56.767 56.400 0.087 0.000 0.778 136 E CB 2.095 31.831 29.700 0.059 0.000 1.220 136 E HN 0.250 nan 8.360 nan 0.000 0.431 137 G N 1.839 110.674 108.800 0.058 0.000 2.409 137 G HA2 -0.087 3.880 3.960 0.012 0.000 0.421 137 G HA3 -0.087 3.880 3.960 0.012 0.000 0.421 137 G C -1.175 173.639 174.900 -0.143 0.000 1.259 137 G CA -0.358 44.694 45.100 -0.081 0.000 1.011 137 G HN 0.531 nan 8.290 nan 0.000 0.497 138 Q N -0.515 119.034 119.800 -0.418 0.000 2.353 138 Q HA 0.719 5.067 4.340 0.012 0.000 0.268 138 Q C -1.181 174.648 176.000 -0.285 0.000 1.045 138 Q CA -0.541 55.116 55.803 -0.243 0.000 0.811 138 Q CB 1.994 30.637 28.738 -0.158 0.000 1.305 138 Q HN 0.642 nan 8.270 nan 0.000 0.447 139 T N 4.595 119.152 114.554 0.005 0.000 2.809 139 T HA 0.582 4.939 4.350 0.012 0.000 0.284 139 T C -0.892 173.906 174.700 0.164 0.000 0.992 139 T CA -0.749 61.438 62.100 0.145 0.000 0.957 139 T CB 0.771 69.868 68.868 0.382 0.000 0.942 139 T HN 0.737 nan 8.240 nan 0.000 0.439 140 R N 2.559 123.143 120.500 0.140 0.000 2.808 140 R HA 0.786 5.133 4.340 0.012 0.000 0.272 140 R C -1.456 174.927 176.300 0.138 0.000 0.995 140 R CA -1.024 55.164 56.100 0.148 0.000 0.917 140 R CB 1.666 32.029 30.300 0.105 0.000 1.217 140 R HN 0.563 nan 8.270 nan 0.000 0.471 141 I N 2.200 122.859 120.570 0.150 0.000 2.607 141 I HA 0.507 4.684 4.170 0.012 0.000 0.305 141 I C -1.052 175.084 176.117 0.031 0.000 0.995 141 I CA -1.505 59.833 61.300 0.063 0.000 1.148 141 I CB 1.582 39.616 38.000 0.057 0.000 1.323 141 I HN 0.630 nan 8.210 nan 0.000 0.461 142 I N 6.258 126.709 120.570 -0.198 0.000 2.468 142 I HA 0.266 4.443 4.170 0.012 0.000 0.285 142 I C -1.409 174.451 176.117 -0.428 0.000 1.039 142 I CA -0.345 60.843 61.300 -0.186 0.000 1.074 142 I CB 1.522 39.451 38.000 -0.118 0.000 1.228 142 I HN 0.318 nan 8.210 nan 0.000 0.436 143 F N 4.382 124.286 119.950 -0.077 0.000 2.334 143 F HA 0.297 4.831 4.527 0.012 0.000 0.367 143 F C 1.360 177.032 175.800 -0.213 0.000 1.115 143 F CA -0.510 57.386 58.000 -0.174 0.000 1.116 143 F CB 0.718 39.597 39.000 -0.203 0.000 1.230 143 F HN 0.481 nan 8.300 nan 0.000 0.484 144 D N 2.331 122.626 120.400 -0.175 0.000 2.269 144 D HA 0.068 4.715 4.640 0.012 0.000 0.208 144 D C 0.890 177.002 176.300 -0.314 0.000 0.963 144 D CA 0.825 54.681 54.000 -0.239 0.000 0.864 144 D CB 0.540 41.159 40.800 -0.301 0.000 0.936 144 D HN 0.682 nan 8.370 nan 0.000 0.505 145 G N -0.253 108.288 108.800 -0.431 0.000 2.682 145 G HA2 0.391 4.358 3.960 0.012 0.000 0.300 145 G HA3 0.391 4.358 3.960 0.012 0.000 0.300 145 G C -1.562 172.927 174.900 -0.684 0.000 1.396 145 G CA -0.426 44.231 45.100 -0.738 0.000 1.104 145 G HN -0.055 nan 8.290 nan 0.000 0.587 146 V N 2.916 122.695 119.914 -0.224 0.000 2.488 146 V HA 0.468 4.595 4.120 0.012 0.000 0.293 146 V C -0.856 175.371 176.094 0.222 0.000 1.027 146 V CA -1.160 61.100 62.300 -0.067 0.000 0.862 146 V CB 1.828 33.391 31.823 -0.434 0.000 1.008 146 V HN 0.719 nan 8.190 nan 0.000 0.428 147 N N 2.586 121.453 118.700 0.278 0.000 2.444 147 N HA 0.330 5.077 4.740 0.012 0.000 0.262 147 N C 0.722 176.200 175.510 -0.054 0.000 0.974 147 N CA 0.451 53.551 53.050 0.082 0.000 0.933 147 N CB 2.225 40.611 38.487 -0.169 0.000 1.137 147 N HN 0.676 nan 8.380 nan 0.000 0.498 148 S N 2.742 118.444 115.700 0.005 0.000 2.591 148 S HA 0.432 4.909 4.470 0.012 0.000 0.235 148 S C 0.627 175.307 174.600 0.133 0.000 1.074 148 S CA 0.239 58.493 58.200 0.091 0.000 0.925 148 S CB 0.056 63.327 63.200 0.118 0.000 0.818 148 S HN 0.548 nan 8.310 nan 0.000 0.535 149 A N 0.867 123.765 122.820 0.129 0.000 2.346 149 A HA 0.877 5.204 4.320 0.012 0.000 0.313 149 A C -0.822 176.835 177.584 0.121 0.000 1.140 149 A CA -0.874 51.191 52.037 0.047 0.000 0.826 149 A CB 0.882 19.975 19.000 0.156 0.000 1.332 149 A HN 1.343 nan 8.150 nan 0.000 0.457 150 F N -1.311 118.454 119.950 -0.310 0.000 2.765 150 F HA 0.591 5.125 4.527 0.012 0.000 0.313 150 F C -1.524 174.165 175.800 -0.185 0.000 1.136 150 F CA -0.735 57.176 58.000 -0.149 0.000 0.952 150 F CB 0.752 39.669 39.000 -0.138 0.000 1.268 150 F HN 0.679 nan 8.300 nan 0.000 0.441 151 H N 2.305 121.518 119.070 0.239 0.000 2.771 151 H HA 0.885 5.448 4.556 0.012 0.000 0.367 151 H C -1.344 173.925 175.328 -0.099 0.000 1.172 151 H CA -0.511 55.569 56.048 0.054 0.000 1.186 151 H CB 2.475 32.299 29.762 0.103 0.000 1.790 151 H HN 0.995 nan 8.280 nan 0.000 0.556 152 L N -0.278 120.686 121.223 -0.432 0.000 2.505 152 L HA 0.441 4.788 4.340 0.012 0.000 0.259 152 L C -1.955 174.485 176.870 -0.717 0.000 0.952 152 L CA -0.613 53.989 54.840 -0.396 0.000 0.840 152 L CB 2.574 44.544 42.059 -0.148 0.000 1.358 152 L HN 0.435 nan 8.230 nan 0.000 0.409 153 W N 3.300 124.571 121.300 -0.048 0.000 2.632 153 W HA 0.540 5.207 4.660 0.012 0.000 0.328 153 W C -0.928 175.518 176.519 -0.121 0.000 1.044 153 W CA -0.849 56.436 57.345 -0.100 0.000 1.225 153 W CB 2.002 31.419 29.460 -0.071 0.000 1.396 153 W HN 0.631 nan 8.180 nan 0.000 0.499 154 C N 6.205 125.525 119.300 0.034 0.000 2.264 154 C HA 0.267 4.734 4.460 0.012 0.000 0.322 154 C C 0.231 175.333 174.990 0.187 0.000 1.210 154 C CA -0.282 58.782 59.018 0.077 0.000 1.539 154 C CB -1.459 26.292 27.740 0.018 0.000 2.167 154 C HN 0.743 nan 8.230 nan 0.000 0.463 155 N N 3.973 122.754 118.700 0.134 0.000 2.708 155 N HA -0.169 4.578 4.740 0.012 0.000 0.255 155 N C 0.966 176.544 175.510 0.113 0.000 1.046 155 N CA 1.707 54.813 53.050 0.095 0.000 0.715 155 N CB -1.294 37.263 38.487 0.116 0.000 0.895 155 N HN 1.625 nan 8.380 nan 0.000 0.545 156 G N -0.969 107.873 108.800 0.070 0.000 2.205 156 G HA2 -0.411 3.556 3.960 0.012 0.000 0.269 156 G HA3 -0.411 3.556 3.960 0.012 0.000 0.269 156 G C 0.350 175.409 174.900 0.264 0.000 0.977 156 G CA 1.123 46.258 45.100 0.058 0.000 0.652 156 G HN 0.638 nan 8.290 nan 0.000 0.539 157 R N -1.254 119.465 120.500 0.364 0.000 2.457 157 R HA 0.450 4.797 4.340 0.012 0.000 0.284 157 R C -0.143 176.439 176.300 0.470 0.000 1.024 157 R CA -0.772 55.613 56.100 0.476 0.000 1.025 157 R CB 0.795 31.483 30.300 0.646 0.000 1.063 157 R HN 0.262 nan 8.270 nan 0.000 0.493 158 W N 3.348 124.804 121.300 0.259 0.000 2.311 158 W HA 0.182 4.849 4.660 0.012 0.000 0.310 158 W C 0.102 176.459 176.519 -0.271 0.000 1.274 158 W CA -0.308 56.935 57.345 -0.170 0.000 1.215 158 W CB 0.741 30.111 29.460 -0.150 0.000 1.227 158 W HN 0.306 nan 8.180 nan 0.000 0.523 159 V N 5.685 124.837 119.914 -1.270 0.000 2.341 159 V HA 0.420 4.547 4.120 0.012 0.000 0.240 159 V C 1.181 176.309 176.094 -1.610 0.000 1.035 159 V CA 1.540 63.019 62.300 -1.369 0.000 1.033 159 V CB -0.660 30.465 31.823 -1.162 0.000 0.678 159 V HN 0.831 nan 8.190 nan 0.000 0.464 160 G N -2.205 105.338 108.800 -2.096 0.000 2.340 160 G HA2 0.434 4.401 3.960 0.012 0.000 0.299 160 G HA3 0.434 4.401 3.960 0.012 0.000 0.299 160 G C -2.372 171.993 174.900 -0.892 0.000 1.291 160 G CA -0.231 43.940 45.100 -1.549 0.000 0.841 160 G HN 0.035 nan 8.290 nan 0.000 0.500 161 Y N -0.468 119.526 120.300 -0.510 0.000 2.513 161 Y HA 0.676 5.233 4.550 0.012 0.000 0.340 161 Y C -0.097 175.591 175.900 -0.353 0.000 1.055 161 Y CA 0.038 57.829 58.100 -0.515 0.000 1.020 161 Y CB 2.181 40.465 38.460 -0.294 0.000 1.301 161 Y HN 1.235 nan 8.280 nan 0.000 0.453 162 G N 3.918 111.922 108.800 -1.326 0.000 2.696 162 G HA2 0.593 4.561 3.960 0.012 0.000 0.295 162 G HA3 0.593 4.561 3.960 0.012 0.000 0.295 162 G C -2.065 172.349 174.900 -0.811 0.000 1.398 162 G CA -0.832 43.767 45.100 -0.835 0.000 0.920 162 G HN 0.622 nan 8.290 nan 0.000 0.492 163 Q N -0.401 119.195 119.800 -0.341 0.000 2.552 163 Q HA 0.584 4.931 4.340 0.012 0.000 0.289 163 Q C -1.380 174.620 176.000 0.001 0.000 1.097 163 Q CA -0.734 54.989 55.803 -0.135 0.000 0.812 163 Q CB 2.606 31.305 28.738 -0.065 0.000 1.460 163 Q HN 0.653 nan 8.270 nan 0.000 0.452 164 D N -0.285 120.156 120.400 0.069 0.000 4.147 164 D HA -0.097 4.550 4.640 0.012 0.000 0.239 164 D C -0.107 176.265 176.300 0.121 0.000 1.075 164 D CA 0.760 54.816 54.000 0.094 0.000 1.089 164 D CB -0.726 40.112 40.800 0.064 0.000 0.799 164 D HN 0.570 nan 8.370 nan 0.000 0.371 165 S N 3.180 118.972 115.700 0.154 0.000 2.400 165 S HA -0.182 4.295 4.470 0.012 0.000 0.232 165 S C 1.606 176.352 174.600 0.244 0.000 1.025 165 S CA 0.683 59.013 58.200 0.217 0.000 0.993 165 S CB 0.088 63.418 63.200 0.215 0.000 0.808 165 S HN 0.530 nan 8.310 nan 0.000 0.478 166 R N 0.796 121.403 120.500 0.179 0.000 2.320 166 R HA 0.419 4.766 4.340 0.012 0.000 0.211 166 R C -0.164 176.195 176.300 0.099 0.000 0.931 166 R CA 0.096 56.291 56.100 0.160 0.000 1.071 166 R CB -0.665 29.766 30.300 0.218 0.000 1.025 166 R HN 0.418 nan 8.270 nan 0.000 0.495 167 L N 1.003 122.256 121.223 0.050 0.000 2.445 167 L HA 0.411 4.758 4.340 0.012 0.000 0.262 167 L C -2.501 174.349 176.870 -0.034 0.000 0.974 167 L CA -2.414 52.425 54.840 -0.002 0.000 0.822 167 L CB 3.007 45.063 42.059 -0.005 0.000 1.339 167 L HN -0.233 nan 8.230 nan 0.000 0.409 168 P HA 0.051 nan 4.420 nan 0.000 0.263 168 P C -0.883 176.372 177.300 -0.074 0.000 1.195 168 P CA 0.089 63.139 63.100 -0.083 0.000 0.762 168 P CB 0.623 32.232 31.700 -0.152 0.000 0.799 169 S N 2.790 118.501 115.700 0.019 0.000 2.448 169 S HA 0.239 4.716 4.470 0.012 0.000 0.320 169 S C -0.229 174.300 174.600 -0.118 0.000 1.071 169 S CA -0.626 57.535 58.200 -0.065 0.000 1.113 169 S CB 0.370 63.676 63.200 0.175 0.000 0.972 169 S HN 0.355 nan 8.310 nan 0.000 0.465 170 E N 2.523 122.502 120.200 -0.368 0.000 2.179 170 E HA 0.572 4.929 4.350 0.012 0.000 0.275 170 E C -1.244 174.988 176.600 -0.613 0.000 0.945 170 E CA -0.529 55.712 56.400 -0.265 0.000 0.792 170 E CB 1.329 30.984 29.700 -0.076 0.000 1.125 170 E HN 0.409 nan 8.360 nan 0.000 0.397 171 F N 0.526 120.544 119.950 0.114 0.000 2.578 171 F HA 0.204 4.739 4.527 0.012 0.000 0.311 171 F C -0.177 175.667 175.800 0.075 0.000 1.094 171 F CA -1.238 56.797 58.000 0.058 0.000 0.923 171 F CB 1.574 40.569 39.000 -0.008 0.000 1.230 171 F HN 0.291 nan 8.300 nan 0.000 0.450 172 D N 2.753 123.301 120.400 0.246 0.000 2.411 172 D HA 0.270 4.917 4.640 0.012 0.000 0.225 172 D C 0.522 176.988 176.300 0.277 0.000 1.156 172 D CA 0.120 54.247 54.000 0.211 0.000 0.874 172 D CB 0.743 41.640 40.800 0.161 0.000 1.034 172 D HN 0.559 nan 8.370 nan 0.000 0.502 173 L N 2.399 123.788 121.223 0.277 0.000 2.492 173 L HA -0.036 4.311 4.340 0.012 0.000 0.223 173 L C 2.211 179.336 176.870 0.424 0.000 1.132 173 L CA -0.089 54.969 54.840 0.362 0.000 0.850 173 L CB -0.267 41.972 42.059 0.300 0.000 0.966 173 L HN 0.300 nan 8.230 nan 0.000 0.454 174 S N 1.219 117.095 115.700 0.293 0.000 2.429 174 S HA -0.377 4.100 4.470 0.012 0.000 0.251 174 S C 2.072 176.775 174.600 0.173 0.000 1.104 174 S CA 2.125 60.455 58.200 0.216 0.000 1.130 174 S CB -0.316 62.968 63.200 0.140 0.000 1.000 174 S HN 0.624 nan 8.310 nan 0.000 0.449 175 A N -0.402 122.495 122.820 0.128 0.000 2.123 175 A HA 0.261 4.588 4.320 0.012 0.000 0.214 175 A C 1.558 178.993 177.584 -0.248 0.000 1.152 175 A CA 0.534 52.495 52.037 -0.127 0.000 0.728 175 A CB -0.429 18.370 19.000 -0.335 0.000 0.814 175 A HN 0.498 nan 8.150 nan 0.000 0.464 176 F N -0.005 119.994 119.950 0.083 0.000 2.743 176 F HA 0.297 4.831 4.527 0.012 0.000 0.297 176 F C 0.804 176.650 175.800 0.076 0.000 1.131 176 F CA -0.086 57.962 58.000 0.080 0.000 1.426 176 F CB -0.409 38.645 39.000 0.089 0.000 1.116 176 F HN 0.002 nan 8.300 nan 0.000 0.583 177 L N 0.721 122.100 121.223 0.261 0.000 2.479 177 L HA 0.487 4.834 4.340 0.012 0.000 0.249 177 L C 0.332 177.254 176.870 0.085 0.000 1.178 177 L CA -0.680 54.261 54.840 0.169 0.000 0.811 177 L CB 0.748 42.928 42.059 0.201 0.000 1.187 177 L HN 0.041 nan 8.230 nan 0.000 0.480 178 R N 0.349 120.868 120.500 0.032 0.000 2.629 178 R HA 0.725 5.073 4.340 0.012 0.000 0.266 178 R C -1.522 174.759 176.300 -0.030 0.000 1.051 178 R CA -0.770 55.331 56.100 0.002 0.000 0.895 178 R CB 1.365 31.657 30.300 -0.014 0.000 1.246 178 R HN 0.598 nan 8.270 nan 0.000 0.459 179 A N 1.510 124.318 122.820 -0.020 0.000 2.425 179 A HA 0.646 4.973 4.320 0.012 0.000 0.242 179 A C 1.027 178.569 177.584 -0.071 0.000 1.077 179 A CA 0.914 52.928 52.037 -0.037 0.000 0.781 179 A CB -0.227 18.762 19.000 -0.017 0.000 1.020 179 A HN 1.615 nan 8.150 nan 0.000 0.494 180 G N 0.713 109.457 108.800 -0.093 0.000 2.578 180 G HA2 -0.116 3.851 3.960 0.012 0.000 0.232 180 G HA3 -0.116 3.851 3.960 0.012 0.000 0.232 180 G C -0.336 174.460 174.900 -0.172 0.000 1.176 180 G CA 0.105 45.141 45.100 -0.108 0.000 0.968 180 G HN 0.979 nan 8.290 nan 0.000 0.583 181 E N 1.448 121.542 120.200 -0.177 0.000 2.266 181 E HA 0.558 4.915 4.350 0.012 0.000 0.277 181 E C -0.333 176.067 176.600 -0.334 0.000 1.018 181 E CA -0.604 55.644 56.400 -0.253 0.000 0.840 181 E CB 1.015 30.612 29.700 -0.173 0.000 1.082 181 E HN 0.439 nan 8.360 nan 0.000 0.395 182 N N 1.971 120.320 118.700 -0.586 0.000 2.229 182 N HA 0.333 5.080 4.740 0.012 0.000 0.298 182 N C -1.133 174.141 175.510 -0.393 0.000 1.114 182 N CA -0.704 51.990 53.050 -0.594 0.000 0.776 182 N CB 2.342 40.292 38.487 -0.894 0.000 1.501 182 N HN 0.259 nan 8.380 nan 0.000 0.474 183 R N 2.125 122.560 120.500 -0.109 0.000 2.476 183 R HA 0.392 4.739 4.340 0.012 0.000 0.305 183 R C -1.349 175.017 176.300 0.110 0.000 0.965 183 R CA -0.554 55.553 56.100 0.011 0.000 0.867 183 R CB 0.846 31.115 30.300 -0.050 0.000 1.176 183 R HN 0.526 nan 8.270 nan 0.000 0.447 184 L N 3.720 125.049 121.223 0.176 0.000 2.261 184 L HA 0.421 4.768 4.340 0.012 0.000 0.289 184 L C 0.237 177.206 176.870 0.164 0.000 1.059 184 L CA -0.373 54.583 54.840 0.194 0.000 0.816 184 L CB 1.578 43.769 42.059 0.220 0.000 1.191 184 L HN 0.605 nan 8.230 nan 0.000 0.431 185 A N 4.719 127.596 122.820 0.094 0.000 2.280 185 A HA 0.661 4.988 4.320 0.012 0.000 0.320 185 A C -0.438 177.446 177.584 0.500 0.000 1.366 185 A CA -0.449 51.548 52.037 -0.067 0.000 0.938 185 A CB 0.570 18.884 19.000 -1.143 0.000 1.157 185 A HN 0.403 nan 8.150 nan 0.000 0.536 186 V N 4.034 124.395 119.914 0.743 0.000 2.334 186 V HA 0.374 4.501 4.120 0.012 0.000 0.281 186 V C 0.071 176.690 176.094 0.876 0.000 1.016 186 V CA -0.253 62.464 62.300 0.694 0.000 0.832 186 V CB 1.191 33.277 31.823 0.438 0.000 0.999 186 V HN 0.956 nan 8.190 nan 0.000 0.439 187 M N 6.274 126.406 119.600 0.886 0.000 2.080 187 M HA 0.490 4.977 4.480 0.012 0.000 0.350 187 M C -1.099 175.477 176.300 0.461 0.000 1.143 187 M CA -0.349 55.334 55.300 0.639 0.000 1.064 187 M CB 0.931 33.962 32.600 0.718 0.000 1.429 187 M HN 0.474 nan 8.290 nan 0.000 0.418 188 V N 6.478 126.641 119.914 0.415 0.000 2.498 188 V HA 0.314 4.441 4.120 0.012 0.000 0.279 188 V C 0.009 176.288 176.094 0.309 0.000 1.048 188 V CA -0.538 61.992 62.300 0.383 0.000 0.967 188 V CB 1.162 33.274 31.823 0.481 0.000 0.988 188 V HN 0.764 nan 8.190 nan 0.000 0.473 189 L N 5.139 126.470 121.223 0.181 0.000 2.295 189 L HA 0.529 4.876 4.340 0.012 0.000 0.285 189 L C 1.522 178.385 176.870 -0.012 0.000 1.035 189 L CA -0.502 54.358 54.840 0.033 0.000 0.806 189 L CB 1.230 43.215 42.059 -0.122 0.000 1.214 189 L HN 0.702 nan 8.230 nan 0.000 0.426 190 R N 2.860 123.288 120.500 -0.119 0.000 2.092 190 R HA -0.034 4.313 4.340 0.012 0.000 0.231 190 R C -0.383 175.645 176.300 -0.453 0.000 1.119 190 R CA 0.981 56.790 56.100 -0.485 0.000 0.970 190 R CB 0.217 30.088 30.300 -0.714 0.000 0.864 190 R HN 0.582 nan 8.270 nan 0.000 0.440 191 W N 0.358 121.683 121.300 0.043 0.000 2.761 191 W HA 0.468 5.135 4.660 0.012 0.000 0.340 191 W C -0.656 175.931 176.519 0.115 0.000 1.072 191 W CA -1.010 56.370 57.345 0.058 0.000 1.215 191 W CB 2.017 31.518 29.460 0.068 0.000 1.420 191 W HN 0.065 nan 8.180 nan 0.000 0.519 192 S N -0.872 115.094 115.700 0.444 0.000 2.595 192 S HA 0.073 4.551 4.470 0.012 0.000 0.270 192 S C 0.454 175.279 174.600 0.373 0.000 1.145 192 S CA -0.430 58.053 58.200 0.471 0.000 0.825 192 S CB 1.181 64.646 63.200 0.440 0.000 1.107 192 S HN 0.722 nan 8.310 nan 0.000 0.461 193 D N 1.286 121.928 120.400 0.403 0.000 2.220 193 D HA -0.180 4.467 4.640 0.012 0.000 0.198 193 D C 1.812 178.384 176.300 0.454 0.000 1.001 193 D CA 2.064 56.336 54.000 0.453 0.000 0.875 193 D CB -1.357 39.606 40.800 0.273 0.000 0.921 193 D HN 0.822 nan 8.370 nan 0.000 0.454 194 G N 0.916 109.918 108.800 0.337 0.000 2.599 194 G HA2 -0.390 3.577 3.960 0.012 0.000 0.219 194 G HA3 -0.390 3.577 3.960 0.012 0.000 0.219 194 G C 1.866 176.935 174.900 0.281 0.000 1.193 194 G CA 2.029 47.300 45.100 0.287 0.000 0.778 194 G HN 0.398 nan 8.290 nan 0.000 0.589 195 S N 0.043 115.884 115.700 0.236 0.000 2.409 195 S HA -0.253 4.224 4.470 0.012 0.000 0.237 195 S C 1.966 176.661 174.600 0.159 0.000 1.060 195 S CA 1.712 60.020 58.200 0.180 0.000 1.052 195 S CB -0.552 62.714 63.200 0.111 0.000 0.871 195 S HN 0.558 nan 8.310 nan 0.000 0.465 196 Y N 0.775 121.154 120.300 0.132 0.000 2.315 196 Y HA -0.029 4.528 4.550 0.012 0.000 0.288 196 Y C 1.826 177.799 175.900 0.122 0.000 1.154 196 Y CA 0.715 58.809 58.100 -0.010 0.000 1.229 196 Y CB -0.104 38.288 38.460 -0.112 0.000 0.980 196 Y HN 0.214 nan 8.280 nan 0.000 0.540 197 L N -0.340 121.067 121.223 0.307 0.000 2.640 197 L HA 0.066 4.413 4.340 0.012 0.000 0.230 197 L C 0.157 177.168 176.870 0.235 0.000 1.123 197 L CA 0.378 55.356 54.840 0.229 0.000 0.900 197 L CB 0.066 42.258 42.059 0.223 0.000 1.146 197 L HN 0.192 nan 8.230 nan 0.000 0.484 198 E N -0.154 120.208 120.200 0.270 0.000 2.830 198 E HA 0.039 4.396 4.350 0.012 0.000 0.225 198 E C -0.495 176.237 176.600 0.220 0.000 1.109 198 E CA -0.096 56.450 56.400 0.243 0.000 1.392 198 E CB 0.264 30.097 29.700 0.222 0.000 1.349 198 E HN 0.052 nan 8.360 nan 0.000 0.433 199 D N 1.408 121.903 120.400 0.158 0.000 2.881 199 D HA 0.018 4.665 4.640 0.012 0.000 0.240 199 D C -0.327 175.971 176.300 -0.002 0.000 1.249 199 D CA -0.144 53.825 54.000 -0.052 0.000 0.839 199 D CB 0.065 40.530 40.800 -0.559 0.000 1.042 199 D HN 0.017 nan 8.370 nan 0.000 0.475 200 Q N 0.630 120.522 119.800 0.153 0.000 2.337 200 Q HA 0.099 4.446 4.340 0.012 0.000 0.270 200 Q C -0.220 175.914 176.000 0.224 0.000 1.002 200 Q CA -0.037 55.929 55.803 0.271 0.000 0.888 200 Q CB 0.782 29.809 28.738 0.482 0.000 1.222 200 Q HN 0.113 nan 8.270 nan 0.000 0.400 201 D N 4.039 124.580 120.400 0.234 0.000 2.422 201 D HA 0.083 4.730 4.640 0.012 0.000 0.263 201 D C -0.668 175.780 176.300 0.247 0.000 1.334 201 D CA 0.368 54.479 54.000 0.185 0.000 1.105 201 D CB -0.384 40.494 40.800 0.131 0.000 1.107 201 D HN 0.501 nan 8.370 nan 0.000 0.522 202 M N 0.685 120.423 119.600 0.231 0.000 3.012 202 M HA 0.353 4.840 4.480 0.012 0.000 0.272 202 M C -1.412 175.014 176.300 0.210 0.000 1.187 202 M CA -1.131 54.247 55.300 0.130 0.000 0.813 202 M CB 0.892 33.550 32.600 0.096 0.000 1.626 202 M HN -0.063 nan 8.290 nan 0.000 0.507 203 W N 1.981 123.399 121.300 0.197 0.000 2.223 203 W HA 0.330 4.997 4.660 0.012 0.000 0.334 203 W C 0.264 176.831 176.519 0.081 0.000 1.334 203 W CA 0.056 57.506 57.345 0.175 0.000 1.246 203 W CB 0.369 29.854 29.460 0.042 0.000 1.184 203 W HN 0.329 nan 8.180 nan 0.000 0.563 204 R N 4.467 125.169 120.500 0.337 0.000 2.235 204 R HA 0.347 4.694 4.340 0.012 0.000 0.338 204 R C -0.219 176.117 176.300 0.060 0.000 1.087 204 R CA -0.267 55.949 56.100 0.194 0.000 0.948 204 R CB -0.128 30.328 30.300 0.259 0.000 1.099 204 R HN 0.551 nan 8.270 nan 0.000 0.483 205 M N 0.265 119.807 119.600 -0.097 0.000 2.840 205 M HA 0.480 4.967 4.480 0.012 0.000 0.283 205 M C 0.105 176.108 176.300 -0.495 0.000 1.136 205 M CA -0.507 54.618 55.300 -0.292 0.000 0.857 205 M CB 1.884 34.303 32.600 -0.301 0.000 1.644 205 M HN 0.676 nan 8.290 nan 0.000 0.520 206 S N -1.187 114.091 115.700 -0.704 0.000 2.615 206 S HA 0.952 5.429 4.470 0.012 0.000 0.269 206 S C -0.576 173.590 174.600 -0.725 0.000 1.161 206 S CA -0.178 57.483 58.200 -0.899 0.000 0.817 206 S CB 1.624 64.088 63.200 -1.226 0.000 1.131 206 S HN 1.430 nan 8.310 nan 0.000 0.467 207 G N 0.155 108.718 108.800 -0.395 0.000 2.362 207 G HA2 0.105 4.073 3.960 0.012 0.000 0.517 207 G HA3 0.105 4.073 3.960 0.012 0.000 0.517 207 G C -1.290 173.670 174.900 0.101 0.000 1.256 207 G CA -0.524 44.646 45.100 0.117 0.000 1.027 207 G HN 1.249 nan 8.290 nan 0.000 0.491 208 I N 2.054 122.570 120.570 -0.090 0.000 2.377 208 I HA 0.300 4.477 4.170 0.012 0.000 0.282 208 I C 0.997 177.020 176.117 -0.157 0.000 1.091 208 I CA -0.282 60.836 61.300 -0.302 0.000 1.207 208 I CB -0.167 37.375 38.000 -0.763 0.000 1.429 208 I HN 0.514 nan 8.210 nan 0.000 0.491 209 F N 3.170 122.998 119.950 -0.205 0.000 2.695 209 F HA 0.459 4.992 4.527 0.011 0.000 0.303 209 F C 0.588 176.323 175.800 -0.108 0.000 1.091 209 F CA -0.602 57.308 58.000 -0.150 0.000 1.300 209 F CB 0.131 39.051 39.000 -0.134 0.000 1.071 209 F HN 0.107 nan 8.300 nan 0.000 0.578 210 R N 1.054 121.201 120.500 -0.588 0.000 2.795 210 R HA 0.217 4.564 4.340 0.012 0.000 0.275 210 R C -1.069 175.028 176.300 -0.338 0.000 0.981 210 R CA -1.226 54.618 56.100 -0.427 0.000 0.917 210 R CB 1.163 31.154 30.300 -0.516 0.000 1.202 210 R HN 0.018 nan 8.270 nan 0.000 0.469 211 D N 1.075 121.332 120.400 -0.238 0.000 2.703 211 D HA -0.033 4.614 4.640 0.012 0.000 0.225 211 D C -0.224 175.916 176.300 -0.268 0.000 1.119 211 D CA 0.420 54.297 54.000 -0.207 0.000 0.845 211 D CB 0.254 40.982 40.800 -0.121 0.000 1.182 211 D HN 0.004 nan 8.370 nan 0.000 0.493 212 V N 1.763 121.524 119.914 -0.255 0.000 2.398 212 V HA 0.555 4.682 4.120 0.012 0.000 0.286 212 V C 0.092 176.054 176.094 -0.220 0.000 1.026 212 V CA -0.418 61.680 62.300 -0.337 0.000 0.868 212 V CB 1.262 32.896 31.823 -0.315 0.000 0.982 212 V HN 0.789 nan 8.190 nan 0.000 0.443 213 S N 5.023 120.559 115.700 -0.273 0.000 2.607 213 S HA 0.777 5.254 4.470 0.012 0.000 0.273 213 S C -1.165 173.370 174.600 -0.109 0.000 1.148 213 S CA -0.929 57.184 58.200 -0.145 0.000 0.833 213 S CB 1.889 65.034 63.200 -0.091 0.000 1.130 213 S HN 0.422 nan 8.310 nan 0.000 0.470 214 L N 1.775 122.996 121.223 -0.003 0.000 2.333 214 L HA 0.600 4.947 4.340 0.012 0.000 0.280 214 L C -1.483 175.532 176.870 0.242 0.000 1.004 214 L CA -0.887 54.031 54.840 0.130 0.000 0.820 214 L CB 1.670 43.841 42.059 0.186 0.000 1.247 214 L HN 0.579 nan 8.230 nan 0.000 0.416 215 L N 3.788 125.129 121.223 0.196 0.000 2.333 215 L HA 0.416 4.763 4.340 0.012 0.000 0.280 215 L C -0.553 176.298 176.870 -0.032 0.000 1.004 215 L CA -0.103 54.800 54.840 0.105 0.000 0.820 215 L CB 1.272 43.368 42.059 0.062 0.000 1.247 215 L HN 0.445 nan 8.230 nan 0.000 0.416 216 H N 5.837 124.692 119.070 -0.359 0.000 2.661 216 H HA 0.397 4.960 4.556 0.012 0.000 0.290 216 H C -1.037 174.048 175.328 -0.404 0.000 1.082 216 H CA -0.545 55.072 56.048 -0.717 0.000 1.234 216 H CB 0.707 29.390 29.762 -1.797 0.000 1.387 216 H HN 0.550 nan 8.280 nan 0.000 0.476 217 K N 4.947 124.882 120.400 -0.775 0.000 2.238 217 K HA 0.411 4.738 4.320 0.012 0.000 0.239 217 K C -2.729 173.541 176.600 -0.549 0.000 0.987 217 K CA -2.082 53.907 56.287 -0.497 0.000 0.857 217 K CB 1.545 33.863 32.500 -0.304 0.000 1.154 217 K HN 0.431 nan 8.250 nan 0.000 0.439 218 P HA 0.023 nan 4.420 nan 0.000 0.274 218 P C 0.839 178.035 177.300 -0.173 0.000 1.237 218 P CA -0.096 62.889 63.100 -0.193 0.000 0.793 218 P CB 0.373 32.008 31.700 -0.107 0.000 0.977 219 T N -2.025 112.459 114.554 -0.117 0.000 2.915 219 T HA -0.034 4.323 4.350 0.012 0.000 0.269 219 T C 0.579 175.219 174.700 -0.100 0.000 1.071 219 T CA 1.287 63.328 62.100 -0.099 0.000 1.132 219 T CB -0.890 67.941 68.868 -0.062 0.000 0.878 219 T HN 0.288 nan 8.240 nan 0.000 0.479 220 T N 3.238 117.737 114.554 -0.092 0.000 2.832 220 T HA 0.480 4.837 4.350 0.012 0.000 0.313 220 T C -0.453 174.177 174.700 -0.118 0.000 1.035 220 T CA -0.745 61.292 62.100 -0.106 0.000 0.950 220 T CB 0.858 69.678 68.868 -0.079 0.000 0.984 220 T HN 0.732 nan 8.240 nan 0.000 0.486 221 Q N 2.488 122.200 119.800 -0.146 0.000 2.615 221 Q HA 0.633 4.980 4.340 0.012 0.000 0.298 221 Q C -1.078 174.821 176.000 -0.169 0.000 1.023 221 Q CA -1.217 54.489 55.803 -0.163 0.000 0.768 221 Q CB 1.412 30.030 28.738 -0.200 0.000 1.500 221 Q HN 0.405 nan 8.270 nan 0.000 0.441 222 I N 2.724 123.165 120.570 -0.216 0.000 2.363 222 I HA 0.046 4.223 4.170 0.012 0.000 0.292 222 I C 0.828 176.767 176.117 -0.296 0.000 1.075 222 I CA -0.096 61.077 61.300 -0.212 0.000 1.333 222 I CB 1.132 38.962 38.000 -0.285 0.000 1.415 222 I HN 0.893 nan 8.210 nan 0.000 0.502 223 S N 3.051 118.694 115.700 -0.095 0.000 2.486 223 S HA 0.110 4.587 4.470 0.012 0.000 0.220 223 S C 0.222 174.971 174.600 0.249 0.000 1.011 223 S CA -0.004 58.206 58.200 0.017 0.000 0.921 223 S CB 0.239 63.441 63.200 0.003 0.000 0.785 223 S HN 0.733 nan 8.310 nan 0.000 0.517 224 D N -0.801 119.768 120.400 0.282 0.000 2.694 224 D HA 0.582 5.229 4.640 0.012 0.000 0.260 224 D C -1.790 174.728 176.300 0.364 0.000 1.250 224 D CA -0.721 53.505 54.000 0.376 0.000 0.763 224 D CB 1.537 42.472 40.800 0.225 0.000 1.311 224 D HN 0.274 nan 8.370 nan 0.000 0.420 225 F N -0.829 119.139 119.950 0.030 0.000 2.704 225 F HA 0.591 5.125 4.527 0.012 0.000 0.312 225 F C -1.988 173.796 175.800 -0.026 0.000 1.108 225 F CA -0.801 57.107 58.000 -0.153 0.000 1.005 225 F CB 0.940 39.914 39.000 -0.044 0.000 1.277 225 F HN 0.369 nan 8.300 nan 0.000 0.445 226 H N 1.983 121.083 119.070 0.051 0.000 2.759 226 H HA 0.737 5.300 4.556 0.012 0.000 0.354 226 H C -1.318 174.035 175.328 0.041 0.000 1.074 226 H CA -1.527 54.488 56.048 -0.055 0.000 1.226 226 H CB 2.377 32.109 29.762 -0.049 0.000 1.648 226 H HN 0.637 nan 8.280 nan 0.000 0.529 227 V N 1.712 121.701 119.914 0.125 0.000 2.612 227 V HA 0.797 4.924 4.120 0.012 0.000 0.301 227 V C 0.040 176.133 176.094 -0.001 0.000 1.046 227 V CA -0.447 61.888 62.300 0.057 0.000 0.946 227 V CB 1.397 33.230 31.823 0.017 0.000 1.003 227 V HN 0.998 nan 8.190 nan 0.000 0.459 228 A N 2.432 125.225 122.820 -0.045 0.000 2.549 228 A HA 0.876 5.203 4.320 0.012 0.000 0.297 228 A C -0.446 177.053 177.584 -0.141 0.000 1.061 228 A CA -0.373 51.621 52.037 -0.071 0.000 0.690 228 A CB 2.213 21.194 19.000 -0.031 0.000 1.287 228 A HN 0.952 nan 8.150 nan 0.000 0.402 229 T N -0.275 114.178 114.554 -0.168 0.000 2.881 229 T HA 0.744 5.101 4.350 0.012 0.000 0.291 229 T C -0.619 173.898 174.700 -0.305 0.000 0.990 229 T CA -0.596 61.328 62.100 -0.293 0.000 0.976 229 T CB 1.089 69.678 68.868 -0.466 0.000 0.970 229 T HN 0.691 nan 8.240 nan 0.000 0.438 230 R N 2.024 122.304 120.500 -0.366 0.000 2.637 230 R HA 0.753 5.100 4.340 0.012 0.000 0.291 230 R C -1.042 174.986 176.300 -0.452 0.000 0.963 230 R CA -0.704 55.254 56.100 -0.237 0.000 0.901 230 R CB 1.443 31.688 30.300 -0.093 0.000 1.160 230 R HN 0.548 nan 8.270 nan 0.000 0.457 231 F N 0.225 120.174 119.950 -0.002 0.000 2.585 231 F HA 0.382 4.916 4.527 0.011 0.000 0.350 231 F C 0.697 176.381 175.800 -0.193 0.000 1.074 231 F CA -0.948 56.996 58.000 -0.093 0.000 1.032 231 F CB 0.858 39.731 39.000 -0.212 0.000 1.330 231 F HN 0.542 nan 8.300 nan 0.000 0.495 232 N N -0.899 117.787 118.700 -0.025 0.000 2.478 232 N HA 0.164 4.911 4.740 0.012 0.000 0.275 232 N C 0.394 175.726 175.510 -0.296 0.000 1.221 232 N CA -0.385 52.598 53.050 -0.112 0.000 0.979 232 N CB 0.360 38.814 38.487 -0.054 0.000 1.202 232 N HN 0.599 nan 8.380 nan 0.000 0.564 233 D N -0.280 120.007 120.400 -0.187 0.000 2.126 233 D HA -0.303 4.344 4.640 0.012 0.000 0.190 233 D C 0.529 176.718 176.300 -0.184 0.000 1.001 233 D CA 2.113 56.008 54.000 -0.174 0.000 0.841 233 D CB -0.785 39.979 40.800 -0.060 0.000 0.949 233 D HN 0.810 nan 8.370 nan 0.000 0.446 234 D N -2.015 118.347 120.400 -0.064 0.000 2.340 234 D HA 0.021 4.668 4.640 0.012 0.000 0.217 234 D C 0.282 176.759 176.300 0.295 0.000 1.081 234 D CA -0.587 53.494 54.000 0.134 0.000 0.842 234 D CB -0.819 40.045 40.800 0.107 0.000 0.934 234 D HN 0.303 nan 8.370 nan 0.000 0.511 235 F N -0.179 119.821 119.950 0.084 0.000 2.884 235 F HA -0.297 4.236 4.527 0.010 0.000 0.294 235 F C 1.704 177.576 175.800 0.121 0.000 0.723 235 F CA 0.690 58.760 58.000 0.116 0.000 1.294 235 F CB -2.433 36.551 39.000 -0.028 0.000 1.551 235 F HN 0.166 nan 8.300 nan 0.000 0.363 236 S N -0.842 114.959 115.700 0.167 0.000 2.461 236 S HA 0.143 4.620 4.470 0.012 0.000 0.228 236 S C 0.741 175.384 174.600 0.071 0.000 1.005 236 S CA 0.368 58.634 58.200 0.110 0.000 0.942 236 S CB 0.217 63.460 63.200 0.071 0.000 0.776 236 S HN 0.481 nan 8.310 nan 0.000 0.514 237 R N 0.427 120.967 120.500 0.068 0.000 2.686 237 R HA 0.825 5.172 4.340 0.012 0.000 0.283 237 R C -1.128 175.180 176.300 0.014 0.000 0.978 237 R CA -0.356 55.751 56.100 0.011 0.000 0.897 237 R CB 2.141 32.431 30.300 -0.017 0.000 1.192 237 R HN 0.250 nan 8.270 nan 0.000 0.457 238 A N 1.688 124.451 122.820 -0.095 0.000 2.469 238 A HA 0.740 5.067 4.320 0.012 0.000 0.299 238 A C -1.170 176.318 177.584 -0.160 0.000 1.098 238 A CA -0.732 51.176 52.037 -0.214 0.000 0.737 238 A CB 1.941 20.736 19.000 -0.341 0.000 1.312 238 A HN 0.361 nan 8.150 nan 0.000 0.414 239 V N 1.582 121.393 119.914 -0.173 0.000 2.409 239 V HA 0.398 4.525 4.120 0.012 0.000 0.291 239 V C -0.334 175.725 176.094 -0.059 0.000 1.020 239 V CA -0.351 61.893 62.300 -0.094 0.000 0.848 239 V CB 1.332 33.103 31.823 -0.087 0.000 0.990 239 V HN 0.779 nan 8.190 nan 0.000 0.430 240 L N 4.318 125.544 121.223 0.006 0.000 2.265 240 L HA 0.535 4.882 4.340 0.012 0.000 0.288 240 L C 0.100 176.945 176.870 -0.042 0.000 1.058 240 L CA 0.011 54.842 54.840 -0.016 0.000 0.809 240 L CB 1.047 43.132 42.059 0.043 0.000 1.179 240 L HN 0.735 nan 8.230 nan 0.000 0.429 241 E N 3.694 123.861 120.200 -0.054 0.000 2.176 241 E HA 0.631 4.988 4.350 0.012 0.000 0.267 241 E C -1.275 175.316 176.600 -0.015 0.000 0.893 241 E CA -0.656 55.723 56.400 -0.035 0.000 0.761 241 E CB 1.770 31.451 29.700 -0.032 0.000 1.133 241 E HN 0.662 nan 8.360 nan 0.000 0.409 242 A N 4.422 127.235 122.820 -0.013 0.000 2.319 242 A HA 0.346 4.673 4.320 0.012 0.000 0.310 242 A C -0.815 176.757 177.584 -0.020 0.000 1.152 242 A CA -0.657 51.385 52.037 0.009 0.000 0.783 242 A CB 1.072 20.087 19.000 0.025 0.000 1.184 242 A HN 0.678 nan 8.150 nan 0.000 0.474 243 E N 2.672 122.860 120.200 -0.021 0.000 2.171 243 E HA 0.605 4.963 4.350 0.012 0.000 0.271 243 E C -1.585 174.952 176.600 -0.106 0.000 0.916 243 E CA -0.473 55.876 56.400 -0.085 0.000 0.774 243 E CB 1.579 31.228 29.700 -0.085 0.000 1.128 243 E HN 0.372 nan 8.360 nan 0.000 0.403 244 V N 4.144 124.010 119.914 -0.079 0.000 2.588 244 V HA 0.335 4.462 4.120 0.012 0.000 0.304 244 V C -0.750 175.395 176.094 0.085 0.000 1.042 244 V CA -0.854 61.438 62.300 -0.014 0.000 0.877 244 V CB 1.528 33.313 31.823 -0.063 0.000 0.996 244 V HN 0.752 nan 8.190 nan 0.000 0.425 245 Q N 4.116 123.978 119.800 0.103 0.000 2.375 245 Q HA 0.885 5.232 4.340 0.012 0.000 0.271 245 Q C -0.912 175.137 176.000 0.083 0.000 1.074 245 Q CA -1.039 54.837 55.803 0.121 0.000 0.808 245 Q CB 2.685 31.431 28.738 0.013 0.000 1.327 245 Q HN 0.748 nan 8.270 nan 0.000 0.441 246 M N -0.314 119.268 119.600 -0.029 0.000 2.777 246 M HA 0.826 5.313 4.480 0.012 0.000 0.307 246 M C -1.264 174.921 176.300 -0.190 0.000 1.228 246 M CA -0.694 54.495 55.300 -0.185 0.000 0.871 246 M CB 1.905 34.202 32.600 -0.506 0.000 1.721 246 M HN 0.662 nan 8.290 nan 0.000 0.487 247 C N 0.714 119.904 119.300 -0.184 0.000 2.626 247 C HA 1.012 5.480 4.460 0.012 0.000 0.310 247 C C 0.376 175.272 174.990 -0.158 0.000 1.191 247 C CA 0.730 59.662 59.018 -0.144 0.000 1.517 247 C CB 0.912 28.594 27.740 -0.096 0.000 2.102 247 C HN 1.390 nan 8.230 nan 0.000 0.479 248 G N 2.705 111.424 108.800 -0.136 0.000 2.298 248 G HA2 0.056 4.023 3.960 0.012 0.000 0.309 248 G HA3 0.056 4.023 3.960 0.012 0.000 0.309 248 G C -1.415 173.403 174.900 -0.135 0.000 1.279 248 G CA -0.703 44.322 45.100 -0.124 0.000 1.042 248 G HN 0.742 nan 8.290 nan 0.000 0.480 249 E N 0.229 120.356 120.200 -0.122 0.000 2.259 249 E HA 0.349 4.706 4.350 0.012 0.000 0.281 249 E C 0.019 176.510 176.600 -0.182 0.000 1.027 249 E CA -0.519 55.806 56.400 -0.124 0.000 0.838 249 E CB 1.231 30.882 29.700 -0.082 0.000 1.066 249 E HN 0.361 nan 8.360 nan 0.000 0.401 250 L N 5.463 126.572 121.223 -0.190 0.000 2.385 250 L HA 0.154 4.502 4.340 0.012 0.000 0.281 250 L C -0.026 176.710 176.870 -0.223 0.000 1.106 250 L CA 0.250 54.954 54.840 -0.227 0.000 0.856 250 L CB -0.036 41.913 42.059 -0.182 0.000 1.186 250 L HN 0.293 nan 8.230 nan 0.000 0.453 251 R N 2.936 123.240 120.500 -0.327 0.000 2.561 251 R HA 0.198 4.545 4.340 0.012 0.000 0.297 251 R C 0.196 176.207 176.300 -0.481 0.000 0.969 251 R CA -0.716 55.094 56.100 -0.483 0.000 0.879 251 R CB 1.651 31.419 30.300 -0.887 0.000 1.178 251 R HN 0.557 nan 8.270 nan 0.000 0.445 252 D N 1.212 121.428 120.400 -0.306 0.000 2.200 252 D HA -0.271 4.376 4.640 0.012 0.000 0.192 252 D C 1.197 177.456 176.300 -0.069 0.000 1.008 252 D CA 2.099 56.021 54.000 -0.130 0.000 0.872 252 D CB -0.316 40.466 40.800 -0.029 0.000 0.923 252 D HN 0.693 nan 8.370 nan 0.000 0.447 253 Y N -0.138 120.172 120.300 0.018 0.000 2.465 253 Y HA 0.359 4.916 4.550 0.012 0.000 0.311 253 Y C 0.039 175.946 175.900 0.012 0.000 1.204 253 Y CA -0.548 57.562 58.100 0.017 0.000 1.272 253 Y CB -0.955 37.516 38.460 0.018 0.000 1.083 253 Y HN -0.094 nan 8.280 nan 0.000 0.508 254 L N 2.650 123.855 121.223 -0.028 0.000 2.350 254 L HA 0.467 4.814 4.340 0.012 0.000 0.275 254 L C 0.065 176.949 176.870 0.023 0.000 1.099 254 L CA -0.432 54.435 54.840 0.045 0.000 0.808 254 L CB 0.826 42.890 42.059 0.008 0.000 1.149 254 L HN 0.194 nan 8.230 nan 0.000 0.442 255 R N 2.287 122.700 120.500 -0.145 0.000 2.740 255 R HA 0.635 4.982 4.340 0.012 0.000 0.273 255 R C -1.552 174.449 176.300 -0.499 0.000 0.998 255 R CA -0.784 55.098 56.100 -0.364 0.000 0.900 255 R CB 2.323 32.342 30.300 -0.467 0.000 1.223 255 R HN 0.255 nan 8.270 nan 0.000 0.466 256 V N 1.022 120.687 119.914 -0.416 0.000 2.555 256 V HA 0.532 4.659 4.120 0.012 0.000 0.302 256 V C -0.218 175.799 176.094 -0.128 0.000 1.038 256 V CA -0.456 61.657 62.300 -0.312 0.000 0.887 256 V CB 2.249 33.825 31.823 -0.413 0.000 0.991 256 V HN 0.722 nan 8.190 nan 0.000 0.434 257 T N 3.684 118.240 114.554 0.004 0.000 2.861 257 T HA 0.629 4.986 4.350 0.012 0.000 0.287 257 T C -0.956 173.739 174.700 -0.007 0.000 1.003 257 T CA -0.343 61.790 62.100 0.054 0.000 0.977 257 T CB 1.789 70.752 68.868 0.160 0.000 0.996 257 T HN 0.341 nan 8.240 nan 0.000 0.448 258 V N 3.668 123.566 119.914 -0.028 0.000 2.444 258 V HA 0.598 4.725 4.120 0.012 0.000 0.294 258 V C -0.374 175.712 176.094 -0.013 0.000 1.022 258 V CA -0.795 61.484 62.300 -0.034 0.000 0.850 258 V CB 1.920 33.708 31.823 -0.059 0.000 0.992 258 V HN 1.042 nan 8.190 nan 0.000 0.426 259 S N 5.616 121.337 115.700 0.035 0.000 2.482 259 S HA 0.813 5.290 4.470 0.012 0.000 0.303 259 S C -0.867 173.778 174.600 0.074 0.000 1.091 259 S CA -0.677 57.542 58.200 0.031 0.000 1.057 259 S CB 2.135 65.439 63.200 0.174 0.000 1.031 259 S HN 0.565 nan 8.310 nan 0.000 0.485 260 L N 3.236 124.392 121.223 -0.112 0.000 2.319 260 L HA 0.744 5.091 4.340 0.012 0.000 0.281 260 L C -1.948 174.867 176.870 -0.091 0.000 1.005 260 L CA -0.196 54.662 54.840 0.030 0.000 0.828 260 L CB 0.374 42.472 42.059 0.065 0.000 1.227 260 L HN 0.818 nan 8.230 nan 0.000 0.415 261 W N 3.410 124.807 121.300 0.161 0.000 2.706 261 W HA 0.632 5.299 4.660 0.012 0.000 0.346 261 W C -0.546 176.078 176.519 0.175 0.000 1.071 261 W CA -0.630 56.797 57.345 0.136 0.000 1.206 261 W CB 1.207 30.697 29.460 0.051 0.000 1.413 261 W HN 0.460 nan 8.180 nan 0.000 0.542 262 Q N 2.159 122.154 119.800 0.326 0.000 2.490 262 Q HA 0.490 4.837 4.340 0.012 0.000 0.255 262 Q C 0.498 176.543 176.000 0.076 0.000 0.997 262 Q CA 0.430 56.251 55.803 0.030 0.000 0.709 262 Q CB 0.690 29.312 28.738 -0.193 0.000 1.255 262 Q HN 0.829 nan 8.270 nan 0.000 0.486 263 G N 3.126 111.970 108.800 0.073 0.000 2.514 263 G HA2 -0.344 3.623 3.960 0.012 0.000 0.265 263 G HA3 -0.344 3.623 3.960 0.012 0.000 0.265 263 G C 0.262 175.232 174.900 0.118 0.000 1.150 263 G CA 0.312 45.446 45.100 0.057 0.000 0.959 263 G HN 0.647 nan 8.290 nan 0.000 0.556 264 E N 0.249 120.517 120.200 0.113 0.000 2.479 264 E HA 0.240 4.597 4.350 0.012 0.000 0.193 264 E C 0.552 177.348 176.600 0.327 0.000 1.049 264 E CA 0.468 56.951 56.400 0.138 0.000 0.870 264 E CB 0.382 30.115 29.700 0.054 0.000 0.944 264 E HN 0.280 nan 8.360 nan 0.000 0.492 265 T N 1.082 115.818 114.554 0.303 0.000 2.799 265 T HA 0.103 4.460 4.350 0.012 0.000 0.286 265 T C -0.477 174.336 174.700 0.188 0.000 0.973 265 T CA -0.336 61.906 62.100 0.236 0.000 1.035 265 T CB 1.269 70.195 68.868 0.097 0.000 0.932 265 T HN -0.016 nan 8.240 nan 0.000 0.469 266 Q N 3.202 122.854 119.800 -0.247 0.000 2.307 266 Q HA 0.223 4.570 4.340 0.012 0.000 0.259 266 Q C 1.020 176.761 176.000 -0.431 0.000 0.998 266 Q CA -0.271 54.955 55.803 -0.962 0.000 0.923 266 Q CB 1.103 29.024 28.738 -1.363 0.000 1.196 266 Q HN 0.675 nan 8.270 nan 0.000 0.416 267 V N 2.366 122.102 119.914 -0.296 0.000 2.725 267 V HA 0.419 4.546 4.120 0.012 0.000 0.247 267 V C 0.105 176.117 176.094 -0.138 0.000 1.058 267 V CA 1.442 63.678 62.300 -0.106 0.000 1.080 267 V CB 0.312 32.192 31.823 0.095 0.000 0.713 267 V HN 0.699 nan 8.190 nan 0.000 0.465 268 A N -0.558 122.144 122.820 -0.195 0.000 2.608 268 A HA 0.769 5.096 4.320 0.012 0.000 0.292 268 A C -0.602 176.869 177.584 -0.189 0.000 1.066 268 A CA 0.140 52.083 52.037 -0.157 0.000 0.676 268 A CB 1.320 20.259 19.000 -0.103 0.000 1.277 268 A HN 1.183 nan 8.150 nan 0.000 0.413 269 S N -0.413 115.201 115.700 -0.142 0.000 2.537 269 S HA 0.800 5.277 4.470 0.012 0.000 0.271 269 S C -0.528 174.025 174.600 -0.078 0.000 1.148 269 S CA 0.283 58.411 58.200 -0.120 0.000 0.868 269 S CB 1.482 64.593 63.200 -0.149 0.000 1.115 269 S HN 2.399 nan 8.310 nan 0.000 0.461 270 G N 1.631 110.396 108.800 -0.059 0.000 2.682 270 G HA2 0.677 4.644 3.960 0.012 0.000 0.300 270 G HA3 0.677 4.644 3.960 0.012 0.000 0.300 270 G C -1.288 173.589 174.900 -0.038 0.000 1.391 270 G CA -0.531 44.538 45.100 -0.050 0.000 0.990 270 G HN 0.783 nan 8.290 nan 0.000 0.501 271 T N -0.252 114.282 114.554 -0.033 0.000 2.900 271 T HA 0.884 5.241 4.350 0.012 0.000 0.295 271 T C -0.193 174.475 174.700 -0.053 0.000 1.044 271 T CA 0.110 62.200 62.100 -0.017 0.000 0.995 271 T CB 1.854 70.742 68.868 0.033 0.000 1.072 271 T HN 1.689 nan 8.240 nan 0.000 0.473 272 A N 2.975 125.736 122.820 -0.098 0.000 2.515 272 A HA 0.896 5.223 4.320 0.012 0.000 0.292 272 A C -3.252 174.209 177.584 -0.205 0.000 1.065 272 A CA -1.294 50.668 52.037 -0.125 0.000 0.641 272 A CB 0.859 19.787 19.000 -0.120 0.000 1.306 272 A HN 0.545 nan 8.150 nan 0.000 0.441 273 P HA 0.659 nan 4.420 nan 0.000 0.287 273 P C -0.832 176.348 177.300 -0.201 0.000 1.290 273 P CA -0.599 62.406 63.100 -0.158 0.000 0.889 273 P CB 0.498 32.175 31.700 -0.037 0.000 1.190 274 F N 0.651 120.559 119.950 -0.070 0.000 2.602 274 F HA 0.408 4.942 4.527 0.012 0.000 0.367 274 F C 1.547 177.327 175.800 -0.034 0.000 1.126 274 F CA 1.933 59.900 58.000 -0.056 0.000 1.321 274 F CB -0.178 38.781 39.000 -0.068 0.000 1.094 274 F HN 0.575 nan 8.300 nan 0.000 0.594 275 G N 2.018 110.922 108.800 0.173 0.000 2.952 275 G HA2 0.382 4.349 3.960 0.012 0.000 0.431 275 G HA3 0.382 4.349 3.960 0.012 0.000 0.431 275 G C -0.495 174.445 174.900 0.066 0.000 1.325 275 G CA -0.748 44.419 45.100 0.111 0.000 1.146 275 G HN 1.040 nan 8.290 nan 0.000 0.581 276 G N 0.684 109.544 108.800 0.099 0.000 2.532 276 G HA2 0.766 4.733 3.960 0.012 0.000 0.291 276 G HA3 0.766 4.733 3.960 0.012 0.000 0.291 276 G C 0.259 175.194 174.900 0.059 0.000 1.349 276 G CA -0.083 45.066 45.100 0.081 0.000 1.038 276 G HN 0.967 nan 8.290 nan 0.000 0.518 277 E N -0.760 119.473 120.200 0.055 0.000 2.318 277 E HA 0.251 4.608 4.350 0.012 0.000 0.265 277 E C -0.463 176.159 176.600 0.036 0.000 1.069 277 E CA -0.684 55.737 56.400 0.035 0.000 0.893 277 E CB 1.626 31.341 29.700 0.025 0.000 1.076 277 E HN 0.265 nan 8.360 nan 0.000 0.414 278 I N 2.088 122.668 120.570 0.016 0.000 2.668 278 I HA -0.118 4.059 4.170 0.012 0.000 0.285 278 I C 1.358 177.480 176.117 0.008 0.000 1.168 278 I CA 0.462 61.764 61.300 0.003 0.000 1.424 278 I CB 0.317 38.315 38.000 -0.004 0.000 1.377 278 I HN 0.621 nan 8.210 nan 0.000 0.560 279 I N 4.035 124.603 120.570 -0.003 0.000 3.616 279 I HA 0.230 4.407 4.170 0.012 0.000 0.296 279 I C -0.003 176.110 176.117 -0.008 0.000 1.226 279 I CA 0.414 61.719 61.300 0.008 0.000 1.394 279 I CB 0.379 38.408 38.000 0.049 0.000 1.171 279 I HN 0.659 nan 8.210 nan 0.000 0.442 280 D N -0.735 119.648 120.400 -0.028 0.000 2.970 280 D HA 0.122 4.769 4.640 0.012 0.000 0.344 280 D C 0.422 176.704 176.300 -0.030 0.000 1.365 280 D CA -0.423 53.563 54.000 -0.024 0.000 0.910 280 D CB 0.294 41.079 40.800 -0.025 0.000 1.445 280 D HN -0.082 nan 8.370 nan 0.000 0.532 281 E N -0.881 119.304 120.200 -0.026 0.000 2.219 281 E HA -0.115 4.242 4.350 0.012 0.000 0.198 281 E C 1.591 178.171 176.600 -0.033 0.000 0.998 281 E CA 1.301 57.686 56.400 -0.025 0.000 0.818 281 E CB -0.017 29.672 29.700 -0.019 0.000 0.741 281 E HN 0.228 nan 8.360 nan 0.000 0.477 282 R N -0.840 119.632 120.500 -0.048 0.000 2.223 282 R HA 0.276 4.623 4.340 0.012 0.000 0.198 282 R C 1.049 177.306 176.300 -0.072 0.000 0.984 282 R CA 0.870 56.934 56.100 -0.059 0.000 1.018 282 R CB 0.888 31.150 30.300 -0.063 0.000 0.945 282 R HN 0.234 nan 8.270 nan 0.000 0.479 283 G N -0.797 107.957 108.800 -0.077 0.000 2.240 283 G HA2 0.049 4.016 3.960 0.012 0.000 0.199 283 G HA3 0.049 4.016 3.960 0.012 0.000 0.199 283 G C -0.555 174.289 174.900 -0.093 0.000 1.342 283 G CA -0.531 44.525 45.100 -0.073 0.000 1.145 283 G HN 0.423 nan 8.290 nan 0.000 0.477 284 G N -1.686 107.059 108.800 -0.092 0.000 3.175 284 G HA2 0.628 4.595 3.960 0.012 0.000 0.255 284 G HA3 0.628 4.595 3.960 0.012 0.000 0.255 284 G C -1.710 173.103 174.900 -0.145 0.000 1.352 284 G CA -0.798 44.258 45.100 -0.074 0.000 1.037 284 G HN 0.654 nan 8.290 nan 0.000 0.556 285 Y N 0.726 121.039 120.300 0.022 0.000 2.385 285 Y HA 0.442 4.998 4.550 0.011 0.000 0.341 285 Y C 1.415 177.342 175.900 0.045 0.000 0.965 285 Y CA -0.032 58.086 58.100 0.031 0.000 1.180 285 Y CB 1.955 40.440 38.460 0.041 0.000 1.139 285 Y HN 0.566 nan 8.280 nan 0.000 0.502 286 A N 1.863 124.776 122.820 0.156 0.000 1.972 286 A HA -0.187 4.140 4.320 0.012 0.000 0.219 286 A C 1.307 178.980 177.584 0.148 0.000 1.169 286 A CA 1.818 53.920 52.037 0.109 0.000 0.635 286 A CB -0.321 18.703 19.000 0.039 0.000 0.810 286 A HN 0.808 nan 8.150 nan 0.000 0.446 287 D N -0.826 119.669 120.400 0.158 0.000 2.491 287 D HA 0.160 4.807 4.640 0.012 0.000 0.228 287 D C 0.413 176.868 176.300 0.258 0.000 1.183 287 D CA -0.156 53.886 54.000 0.072 0.000 0.827 287 D CB -0.046 40.740 40.800 -0.024 0.000 0.989 287 D HN 0.417 nan 8.370 nan 0.000 0.494 288 R N -1.022 119.707 120.500 0.382 0.000 2.817 288 R HA 0.782 5.129 4.340 0.012 0.000 0.268 288 R C -1.545 174.848 176.300 0.155 0.000 1.027 288 R CA -1.176 55.086 56.100 0.270 0.000 0.928 288 R CB 2.480 32.812 30.300 0.054 0.000 1.228 288 R HN -0.023 nan 8.270 nan 0.000 0.469 289 V N 0.178 120.070 119.914 -0.036 0.000 3.000 289 V HA 0.445 4.573 4.120 0.012 0.000 0.300 289 V C -1.570 174.450 176.094 -0.124 0.000 1.251 289 V CA -0.297 61.909 62.300 -0.156 0.000 0.972 289 V CB 2.745 34.309 31.823 -0.432 0.000 1.065 289 V HN 0.849 nan 8.190 nan 0.000 0.431 290 T N 7.346 121.846 114.554 -0.092 0.000 2.809 290 T HA 0.590 4.947 4.350 0.012 0.000 0.284 290 T C -1.017 173.638 174.700 -0.074 0.000 0.992 290 T CA -0.407 61.651 62.100 -0.070 0.000 0.957 290 T CB 1.039 69.885 68.868 -0.037 0.000 0.942 290 T HN 0.402 nan 8.240 nan 0.000 0.439 291 L N 3.913 125.091 121.223 -0.075 0.000 2.309 291 L HA 0.548 4.895 4.340 0.012 0.000 0.282 291 L C 0.421 177.261 176.870 -0.050 0.000 1.036 291 L CA -0.481 54.318 54.840 -0.069 0.000 0.806 291 L CB 1.330 43.343 42.059 -0.076 0.000 1.220 291 L HN 0.596 nan 8.230 nan 0.000 0.429 292 R N 3.859 124.331 120.500 -0.048 0.000 2.310 292 R HA 0.555 4.902 4.340 0.012 0.000 0.316 292 R C -1.030 175.244 176.300 -0.044 0.000 1.004 292 R CA -0.984 55.090 56.100 -0.043 0.000 0.900 292 R CB 1.230 31.506 30.300 -0.041 0.000 1.152 292 R HN 0.215 nan 8.270 nan 0.000 0.513 293 L N 2.134 123.333 121.223 -0.041 0.000 2.399 293 L HA 0.335 4.682 4.340 0.012 0.000 0.266 293 L C 0.295 177.137 176.870 -0.047 0.000 1.114 293 L CA -0.786 54.027 54.840 -0.045 0.000 0.804 293 L CB 0.630 42.663 42.059 -0.042 0.000 1.146 293 L HN 0.502 nan 8.230 nan 0.000 0.451 294 N N 0.137 118.801 118.700 -0.060 0.000 2.421 294 N HA 0.594 5.341 4.740 0.012 0.000 0.285 294 N C -1.235 174.214 175.510 -0.101 0.000 1.027 294 N CA -0.573 52.433 53.050 -0.073 0.000 0.918 294 N CB 2.020 40.468 38.487 -0.065 0.000 1.152 294 N HN 0.261 nan 8.380 nan 0.000 0.485 295 V N 1.453 121.278 119.914 -0.148 0.000 2.376 295 V HA 0.263 4.390 4.120 0.012 0.000 0.287 295 V C -0.224 175.756 176.094 -0.190 0.000 1.015 295 V CA -0.756 61.404 62.300 -0.233 0.000 0.834 295 V CB 1.199 32.727 31.823 -0.491 0.000 1.001 295 V HN 0.586 nan 8.190 nan 0.000 0.428 296 E N 3.398 123.525 120.200 -0.122 0.000 2.289 296 E HA 0.268 4.625 4.350 0.012 0.000 0.278 296 E C 0.357 176.920 176.600 -0.061 0.000 1.032 296 E CA -0.252 56.104 56.400 -0.072 0.000 0.854 296 E CB 0.379 30.051 29.700 -0.046 0.000 1.046 296 E HN 0.742 nan 8.360 nan 0.000 0.409 297 N N 2.446 121.129 118.700 -0.028 0.000 2.678 297 N HA -0.181 4.566 4.740 0.012 0.000 0.268 297 N C -2.452 173.056 175.510 -0.003 0.000 1.010 297 N CA 0.164 53.218 53.050 0.007 0.000 0.784 297 N CB -1.032 37.468 38.487 0.021 0.000 0.905 297 N HN 0.284 nan 8.380 nan 0.000 0.552 298 P HA 0.013 nan 4.420 nan 0.000 0.268 298 P C -0.269 177.079 177.300 0.079 0.000 1.205 298 P CA 0.244 63.262 63.100 -0.136 0.000 0.771 298 P CB 0.734 32.125 31.700 -0.515 0.000 0.858 299 K N 2.982 123.521 120.400 0.232 0.000 2.310 299 K HA 0.243 4.570 4.320 0.012 0.000 0.290 299 K C 0.120 176.906 176.600 0.311 0.000 1.077 299 K CA -0.348 56.070 56.287 0.218 0.000 0.922 299 K CB 0.075 32.680 32.500 0.175 0.000 1.057 299 K HN 0.452 nan 8.250 nan 0.000 0.479 300 L N 2.970 124.293 121.223 0.167 0.000 2.380 300 L HA 0.216 4.563 4.340 0.012 0.000 0.273 300 L C 0.248 177.190 176.870 0.120 0.000 1.138 300 L CA -0.724 54.212 54.840 0.160 0.000 0.832 300 L CB 0.248 42.252 42.059 -0.092 0.000 1.124 300 L HN 0.563 nan 8.230 nan 0.000 0.454 301 W N 4.022 125.368 121.300 0.077 0.000 2.251 301 W HA 0.460 5.126 4.660 0.010 0.000 0.329 301 W C 0.290 176.758 176.519 -0.085 0.000 1.234 301 W CA 0.449 57.811 57.345 0.028 0.000 1.228 301 W CB 1.155 30.673 29.460 0.097 0.000 1.135 301 W HN 0.656 nan 8.180 nan 0.000 0.576 302 S N 3.049 118.037 115.700 -1.186 0.000 2.627 302 S HA 0.490 4.967 4.470 0.012 0.000 0.268 302 S C 0.088 173.814 174.600 -1.456 0.000 1.130 302 S CA -0.257 57.273 58.200 -1.117 0.000 0.819 302 S CB 0.476 63.297 63.200 -0.631 0.000 1.100 302 S HN 1.186 nan 8.310 nan 0.000 0.465 303 A N 1.022 123.278 122.820 -0.939 0.000 1.933 303 A HA 0.044 4.371 4.320 0.012 0.000 0.218 303 A C 1.792 179.097 177.584 -0.464 0.000 1.175 303 A CA 1.876 53.423 52.037 -0.817 0.000 0.628 303 A CB -1.183 17.233 19.000 -0.972 0.000 0.814 303 A HN 0.897 nan 8.150 nan 0.000 0.444 304 E N -1.083 118.972 120.200 -0.242 0.000 2.110 304 E HA -0.021 4.337 4.350 0.012 0.000 0.193 304 E C -0.357 176.136 176.600 -0.178 0.000 0.988 304 E CA 0.859 57.191 56.400 -0.113 0.000 0.804 304 E CB -0.041 29.741 29.700 0.138 0.000 0.745 304 E HN 0.642 nan 8.360 nan 0.000 0.458 305 I N 0.022 120.423 120.570 -0.281 0.000 2.637 305 I HA 0.124 4.301 4.170 0.012 0.000 0.285 305 I C -2.657 173.201 176.117 -0.432 0.000 1.222 305 I CA -1.666 59.476 61.300 -0.264 0.000 1.067 305 I CB 2.640 40.533 38.000 -0.177 0.000 1.279 305 I HN -0.269 nan 8.210 nan 0.000 0.441 306 P HA 0.131 nan 4.420 nan 0.000 0.214 306 P C -0.754 176.599 177.300 0.090 0.000 1.807 306 P CA -0.363 62.527 63.100 -0.350 0.000 0.921 306 P CB -0.325 31.353 31.700 -0.036 0.000 1.835 307 N N 1.576 120.316 118.700 0.066 0.000 2.414 307 N HA 0.021 4.768 4.740 0.012 0.000 0.268 307 N C 0.193 175.929 175.510 0.377 0.000 1.286 307 N CA 0.645 53.802 53.050 0.178 0.000 0.896 307 N CB 0.588 39.157 38.487 0.138 0.000 1.093 307 N HN 0.276 nan 8.380 nan 0.000 0.480 308 L N 2.578 123.949 121.223 0.246 0.000 2.334 308 L HA 0.492 4.839 4.340 0.012 0.000 0.272 308 L C -0.493 176.485 176.870 0.181 0.000 1.020 308 L CA -0.840 54.168 54.840 0.280 0.000 0.812 308 L CB 0.825 43.007 42.059 0.206 0.000 1.264 308 L HN 0.386 nan 8.230 nan 0.000 0.439 309 Y N 0.158 120.584 120.300 0.209 0.000 2.570 309 Y HA 0.564 5.122 4.550 0.012 0.000 0.345 309 Y C -0.274 175.731 175.900 0.176 0.000 1.014 309 Y CA -0.865 57.368 58.100 0.221 0.000 1.063 309 Y CB 1.977 40.625 38.460 0.313 0.000 1.272 309 Y HN 0.397 nan 8.280 nan 0.000 0.477 310 R N 1.235 121.965 120.500 0.384 0.000 2.393 310 R HA 0.823 5.170 4.340 0.012 0.000 0.310 310 R C -1.286 175.190 176.300 0.294 0.000 0.968 310 R CA -0.482 55.778 56.100 0.266 0.000 0.867 310 R CB 0.981 31.366 30.300 0.143 0.000 1.124 310 R HN 0.786 nan 8.270 nan 0.000 0.450 311 A N 3.855 126.793 122.820 0.197 0.000 2.292 311 A HA 0.528 4.856 4.320 0.012 0.000 0.319 311 A C -0.982 176.662 177.584 0.099 0.000 1.206 311 A CA -0.637 51.499 52.037 0.165 0.000 0.835 311 A CB 1.169 20.252 19.000 0.138 0.000 1.164 311 A HN 0.497 nan 8.150 nan 0.000 0.505 312 V N 3.812 123.787 119.914 0.102 0.000 2.326 312 V HA 0.329 4.456 4.120 0.012 0.000 0.281 312 V C -0.292 175.770 176.094 -0.054 0.000 1.015 312 V CA -0.593 61.715 62.300 0.014 0.000 0.823 312 V CB 1.109 32.956 31.823 0.041 0.000 1.009 312 V HN 0.602 nan 8.190 nan 0.000 0.436 313 V N 4.573 124.382 119.914 -0.175 0.000 2.364 313 V HA 0.471 4.598 4.120 0.012 0.000 0.272 313 V C -0.009 176.007 176.094 -0.130 0.000 1.036 313 V CA -0.520 61.645 62.300 -0.224 0.000 0.880 313 V CB 0.834 32.364 31.823 -0.490 0.000 0.991 313 V HN 0.992 nan 8.190 nan 0.000 0.460 314 E N 4.589 124.765 120.200 -0.039 0.000 2.199 314 E HA 0.552 4.909 4.350 0.012 0.000 0.265 314 E C -1.045 175.608 176.600 0.088 0.000 0.882 314 E CA -0.919 55.508 56.400 0.046 0.000 0.759 314 E CB 2.599 32.363 29.700 0.107 0.000 1.148 314 E HN 0.507 nan 8.360 nan 0.000 0.412 315 L N 4.420 125.671 121.223 0.047 0.000 2.260 315 L HA 0.375 4.722 4.340 0.012 0.000 0.289 315 L C -0.976 175.948 176.870 0.090 0.000 1.057 315 L CA 0.268 55.124 54.840 0.026 0.000 0.811 315 L CB -0.389 41.685 42.059 0.026 0.000 1.184 315 L HN 0.715 nan 8.230 nan 0.000 0.429 316 H N 0.457 119.564 119.070 0.062 0.000 2.966 316 H HA 0.735 5.298 4.556 0.012 0.000 0.330 316 H C -0.537 174.857 175.328 0.109 0.000 1.292 316 H CA -0.471 55.616 56.048 0.065 0.000 1.127 316 H CB 0.443 30.226 29.762 0.035 0.000 1.863 316 H HN 0.497 nan 8.280 nan 0.000 0.543 317 T N -1.990 112.733 114.554 0.283 0.000 2.868 317 T HA 0.443 4.800 4.350 0.012 0.000 0.292 317 T C 1.485 176.355 174.700 0.284 0.000 1.028 317 T CA -0.257 61.990 62.100 0.246 0.000 1.059 317 T CB 1.160 70.084 68.868 0.092 0.000 0.991 317 T HN 0.940 nan 8.240 nan 0.000 0.531 318 A N 1.351 124.307 122.820 0.227 0.000 1.978 318 A HA -0.065 4.262 4.320 0.012 0.000 0.220 318 A C 1.677 179.345 177.584 0.140 0.000 1.170 318 A CA 1.746 53.891 52.037 0.180 0.000 0.636 318 A CB -1.228 17.869 19.000 0.162 0.000 0.810 318 A HN 1.034 nan 8.150 nan 0.000 0.448 319 D N -2.872 117.581 120.400 0.089 0.000 2.323 319 D HA 0.357 5.005 4.640 0.012 0.000 0.239 319 D C 1.046 177.371 176.300 0.042 0.000 1.129 319 D CA 0.764 54.790 54.000 0.043 0.000 0.865 319 D CB -0.184 40.612 40.800 -0.007 0.000 0.913 319 D HN 0.564 nan 8.370 nan 0.000 0.517 320 G N -0.507 108.346 108.800 0.088 0.000 2.217 320 G HA2 -0.293 3.674 3.960 0.012 0.000 0.246 320 G HA3 -0.293 3.674 3.960 0.012 0.000 0.246 320 G C 0.521 175.411 174.900 -0.016 0.000 0.990 320 G CA 0.166 45.254 45.100 -0.021 0.000 0.627 320 G HN 0.416 nan 8.290 nan 0.000 0.522 321 T N 1.923 116.512 114.554 0.058 0.000 2.853 321 T HA 0.425 4.782 4.350 0.012 0.000 0.298 321 T C 0.360 175.128 174.700 0.113 0.000 0.978 321 T CA 0.023 62.154 62.100 0.052 0.000 1.152 321 T CB 1.531 70.410 68.868 0.019 0.000 0.914 321 T HN 0.578 nan 8.240 nan 0.000 0.539 322 L N 5.306 126.573 121.223 0.075 0.000 2.410 322 L HA 0.291 4.638 4.340 0.012 0.000 0.273 322 L C 0.820 177.744 176.870 0.090 0.000 1.144 322 L CA 0.349 55.250 54.840 0.102 0.000 0.863 322 L CB -0.075 42.021 42.059 0.061 0.000 1.140 322 L HN 0.697 nan 8.230 nan 0.000 0.463 323 I N 2.889 123.521 120.570 0.103 0.000 2.364 323 I HA 0.085 4.262 4.170 0.012 0.000 0.241 323 I C 0.373 176.514 176.117 0.040 0.000 1.082 323 I CA 0.562 61.899 61.300 0.062 0.000 1.401 323 I CB 0.126 38.157 38.000 0.052 0.000 1.126 323 I HN 0.808 nan 8.210 nan 0.000 0.429 324 E N 0.098 120.322 120.200 0.039 0.000 2.429 324 E HA 0.716 5.073 4.350 0.012 0.000 0.280 324 E C -1.488 175.134 176.600 0.037 0.000 1.068 324 E CA -1.053 55.366 56.400 0.032 0.000 0.837 324 E CB 1.786 31.475 29.700 -0.018 0.000 1.357 324 E HN 0.020 nan 8.360 nan 0.000 0.455 325 A N 1.092 123.958 122.820 0.077 0.000 2.475 325 A HA 0.714 5.041 4.320 0.012 0.000 0.301 325 A C -1.139 176.552 177.584 0.177 0.000 1.059 325 A CA -0.752 51.325 52.037 0.067 0.000 0.710 325 A CB 1.676 20.697 19.000 0.036 0.000 1.288 325 A HN 0.536 nan 8.150 nan 0.000 0.408 326 E N -0.316 119.915 120.200 0.052 0.000 2.359 326 E HA 0.790 5.147 4.350 0.012 0.000 0.266 326 E C -0.496 176.130 176.600 0.044 0.000 0.920 326 E CA -0.708 55.792 56.400 0.167 0.000 0.788 326 E CB 2.491 32.236 29.700 0.074 0.000 1.279 326 E HN 1.098 nan 8.360 nan 0.000 0.438 327 A N 0.039 123.031 122.820 0.288 0.000 2.557 327 A HA 0.827 5.154 4.320 0.012 0.000 0.292 327 A C -1.231 176.567 177.584 0.357 0.000 1.139 327 A CA -0.276 51.851 52.037 0.151 0.000 0.665 327 A CB 1.300 20.208 19.000 -0.154 0.000 1.285 327 A HN 0.978 nan 8.150 nan 0.000 0.433 328 C N -0.411 119.034 119.300 0.243 0.000 3.224 328 C HA 0.655 5.122 4.460 0.012 0.000 0.348 328 C C -1.868 173.209 174.990 0.146 0.000 1.242 328 C CA -0.889 58.264 59.018 0.226 0.000 1.180 328 C CB 0.563 28.483 27.740 0.301 0.000 1.458 328 C HN 0.883 nan 8.230 nan 0.000 0.485 329 D N 0.978 121.442 120.400 0.107 0.000 2.283 329 D HA 0.624 5.271 4.640 0.012 0.000 0.248 329 D C -0.406 175.923 176.300 0.048 0.000 1.072 329 D CA 0.061 54.119 54.000 0.097 0.000 0.929 329 D CB 1.878 42.737 40.800 0.099 0.000 1.182 329 D HN 0.635 nan 8.370 nan 0.000 0.433 330 V N 0.363 120.324 119.914 0.077 0.000 2.623 330 V HA 0.624 4.751 4.120 0.012 0.000 0.304 330 V C 0.307 176.416 176.094 0.026 0.000 1.054 330 V CA -0.890 61.402 62.300 -0.013 0.000 0.882 330 V CB 2.108 33.917 31.823 -0.024 0.000 1.002 330 V HN 0.632 nan 8.190 nan 0.000 0.424 331 G N 2.891 111.609 108.800 -0.137 0.000 2.478 331 G HA2 0.641 4.608 3.960 0.012 0.000 0.317 331 G HA3 0.641 4.608 3.960 0.012 0.000 0.317 331 G C -1.116 173.788 174.900 0.006 0.000 1.259 331 G CA -0.406 44.694 45.100 -0.000 0.000 0.933 331 G HN 0.451 nan 8.290 nan 0.000 0.478 332 F N 3.990 124.141 119.950 0.334 0.000 2.405 332 F HA 0.477 5.010 4.527 0.011 0.000 0.358 332 F C 1.007 177.091 175.800 0.473 0.000 1.151 332 F CA -0.347 57.920 58.000 0.445 0.000 1.161 332 F CB 0.717 39.962 39.000 0.409 0.000 1.245 332 F HN 0.402 nan 8.300 nan 0.000 0.545 333 R N 3.391 124.241 120.500 0.585 0.000 2.629 333 R HA 0.372 4.719 4.340 0.012 0.000 0.266 333 R C -1.960 174.517 176.300 0.294 0.000 1.051 333 R CA -0.653 55.607 56.100 0.266 0.000 0.895 333 R CB 1.856 32.358 30.300 0.337 0.000 1.246 333 R HN 0.572 nan 8.270 nan 0.000 0.459 334 E N 3.103 123.360 120.200 0.094 0.000 2.218 334 E HA 0.350 4.707 4.350 0.012 0.000 0.263 334 E C -1.362 175.317 176.600 0.131 0.000 0.879 334 E CA -0.726 55.795 56.400 0.202 0.000 0.762 334 E CB 2.151 32.012 29.700 0.269 0.000 1.166 334 E HN 0.390 nan 8.360 nan 0.000 0.415 335 V N 6.391 126.379 119.914 0.123 0.000 2.328 335 V HA 0.448 4.575 4.120 0.012 0.000 0.278 335 V C 0.017 176.154 176.094 0.071 0.000 1.021 335 V CA -0.392 61.951 62.300 0.072 0.000 0.838 335 V CB 0.832 32.678 31.823 0.038 0.000 0.999 335 V HN 0.616 nan 8.190 nan 0.000 0.447 336 R N 4.864 125.402 120.500 0.064 0.000 2.668 336 R HA 0.645 4.992 4.340 0.012 0.000 0.272 336 R C -1.722 174.604 176.300 0.044 0.000 1.019 336 R CA -0.932 55.205 56.100 0.062 0.000 0.894 336 R CB 1.968 32.318 30.300 0.082 0.000 1.228 336 R HN 0.491 nan 8.270 nan 0.000 0.460 337 I N 2.412 123.007 120.570 0.041 0.000 2.301 337 I HA 0.211 4.388 4.170 0.012 0.000 0.292 337 I C -0.125 176.012 176.117 0.035 0.000 1.046 337 I CA -0.065 61.253 61.300 0.031 0.000 1.282 337 I CB 1.162 39.180 38.000 0.031 0.000 1.409 337 I HN 0.671 nan 8.210 nan 0.000 0.484 338 E N 6.612 126.831 120.200 0.030 0.000 2.256 338 E HA 0.247 4.604 4.350 0.012 0.000 0.268 338 E C -0.143 176.471 176.600 0.023 0.000 0.877 338 E CA -0.696 55.723 56.400 0.032 0.000 0.757 338 E CB 1.169 30.892 29.700 0.039 0.000 1.183 338 E HN 0.529 nan 8.360 nan 0.000 0.418 339 N N 3.145 121.859 118.700 0.023 0.000 2.740 339 N HA -0.213 4.534 4.740 0.012 0.000 0.248 339 N C 0.465 175.982 175.510 0.012 0.000 1.062 339 N CA 1.903 54.963 53.050 0.017 0.000 0.704 339 N CB -1.253 37.243 38.487 0.015 0.000 0.968 339 N HN 1.051 nan 8.380 nan 0.000 0.547 340 G N -1.598 107.210 108.800 0.014 0.000 2.153 340 G HA2 -0.277 3.690 3.960 0.012 0.000 0.252 340 G HA3 -0.277 3.690 3.960 0.012 0.000 0.252 340 G C -0.158 174.740 174.900 -0.004 0.000 0.994 340 G CA 0.558 45.663 45.100 0.007 0.000 0.698 340 G HN 0.465 nan 8.290 nan 0.000 0.521 341 L N -0.161 121.060 121.223 -0.003 0.000 2.385 341 L HA 0.598 4.946 4.340 0.012 0.000 0.273 341 L C -0.199 176.664 176.870 -0.011 0.000 0.990 341 L CA -1.213 53.619 54.840 -0.013 0.000 0.821 341 L CB 1.835 43.888 42.059 -0.011 0.000 1.279 341 L HN 0.110 nan 8.230 nan 0.000 0.412 342 L N 5.614 126.820 121.223 -0.029 0.000 2.260 342 L HA 0.513 4.860 4.340 0.012 0.000 0.289 342 L C -0.816 176.034 176.870 -0.033 0.000 1.057 342 L CA 0.175 54.999 54.840 -0.027 0.000 0.811 342 L CB 0.617 42.648 42.059 -0.046 0.000 1.184 342 L HN 0.368 nan 8.230 nan 0.000 0.429 343 L N 4.893 126.112 121.223 -0.007 0.000 2.341 343 L HA 0.665 5.013 4.340 0.012 0.000 0.267 343 L C -1.052 175.829 176.870 0.019 0.000 1.009 343 L CA -1.031 53.810 54.840 0.002 0.000 0.819 343 L CB 1.771 43.848 42.059 0.030 0.000 1.323 343 L HN 0.449 nan 8.230 nan 0.000 0.425 344 L N 3.005 124.250 121.223 0.035 0.000 2.343 344 L HA 0.551 4.898 4.340 0.012 0.000 0.278 344 L C -0.274 176.641 176.870 0.075 0.000 0.996 344 L CA 0.089 54.970 54.840 0.068 0.000 0.831 344 L CB 0.861 42.978 42.059 0.096 0.000 1.232 344 L HN 0.651 nan 8.230 nan 0.000 0.413 345 N N 4.116 122.758 118.700 -0.096 0.000 2.735 345 N HA -0.200 4.547 4.740 0.012 0.000 0.248 345 N C 1.002 176.295 175.510 -0.362 0.000 1.083 345 N CA 1.421 54.157 53.050 -0.523 0.000 0.703 345 N CB -1.340 36.794 38.487 -0.588 0.000 1.005 345 N HN 1.233 nan 8.380 nan 0.000 0.550 346 G N -1.716 107.092 108.800 0.013 0.000 2.184 346 G HA2 -0.369 3.598 3.960 0.012 0.000 0.264 346 G HA3 -0.369 3.598 3.960 0.012 0.000 0.264 346 G C 0.042 174.972 174.900 0.050 0.000 0.975 346 G CA 0.998 46.166 45.100 0.114 0.000 0.642 346 G HN 0.553 nan 8.290 nan 0.000 0.536 347 K N 0.860 121.277 120.400 0.029 0.000 2.316 347 K HA 0.542 4.869 4.320 0.012 0.000 0.251 347 K C -2.742 173.823 176.600 -0.059 0.000 0.934 347 K CA -2.294 53.967 56.287 -0.044 0.000 0.802 347 K CB 2.672 35.077 32.500 -0.159 0.000 1.171 347 K HN -0.079 nan 8.250 nan 0.000 0.426 348 P HA 0.063 nan 4.420 nan 0.000 0.275 348 P C -0.485 176.750 177.300 -0.108 0.000 1.276 348 P CA -0.098 62.955 63.100 -0.077 0.000 0.782 348 P CB 0.359 32.019 31.700 -0.066 0.000 0.851 349 L N 3.843 125.000 121.223 -0.111 0.000 2.456 349 L HA 0.158 4.505 4.340 0.012 0.000 0.272 349 L C 0.666 177.459 176.870 -0.127 0.000 1.189 349 L CA -0.337 54.424 54.840 -0.132 0.000 0.846 349 L CB 0.411 42.359 42.059 -0.186 0.000 1.111 349 L HN 0.290 nan 8.230 nan 0.000 0.475 350 L N 5.043 126.206 121.223 -0.100 0.000 2.318 350 L HA 0.412 4.759 4.340 0.012 0.000 0.277 350 L C -0.411 176.416 176.870 -0.072 0.000 1.008 350 L CA -0.292 54.482 54.840 -0.110 0.000 0.846 350 L CB 0.952 42.975 42.059 -0.059 0.000 1.220 350 L HN 0.236 nan 8.230 nan 0.000 0.423 351 I N 4.967 125.433 120.570 -0.174 0.000 2.436 351 I HA 0.210 4.387 4.170 0.012 0.000 0.289 351 I C 0.601 176.658 176.117 -0.099 0.000 1.083 351 I CA 0.136 61.337 61.300 -0.165 0.000 1.372 351 I CB 0.512 38.317 38.000 -0.326 0.000 1.408 351 I HN 0.556 nan 8.210 nan 0.000 0.516 352 R N 4.399 124.896 120.500 -0.004 0.000 3.559 352 R HA 0.458 4.805 4.340 0.012 0.000 0.273 352 R C 0.567 176.887 176.300 0.032 0.000 1.423 352 R CA -0.224 55.884 56.100 0.014 0.000 1.581 352 R CB 0.715 30.884 30.300 -0.219 0.000 1.338 352 R HN 0.810 nan 8.270 nan 0.000 0.667 353 G N -0.418 108.307 108.800 -0.126 0.000 2.552 353 G HA2 0.627 4.594 3.960 0.012 0.000 0.318 353 G HA3 0.627 4.594 3.960 0.012 0.000 0.318 353 G C -1.203 173.896 174.900 0.332 0.000 1.240 353 G CA -0.447 44.548 45.100 -0.175 0.000 1.002 353 G HN 0.202 nan 8.290 nan 0.000 0.493 354 V N -0.321 119.803 119.914 0.349 0.000 3.120 354 V HA 0.441 4.568 4.120 0.012 0.000 0.303 354 V C -1.207 175.066 176.094 0.298 0.000 1.238 354 V CA -1.173 61.316 62.300 0.316 0.000 1.008 354 V CB 2.384 34.199 31.823 -0.013 0.000 1.064 354 V HN 0.771 nan 8.190 nan 0.000 0.434 355 N N 3.319 122.116 118.700 0.162 0.000 2.524 355 N HA 0.570 5.317 4.740 0.012 0.000 0.283 355 N C -0.763 174.608 175.510 -0.231 0.000 1.142 355 N CA -0.383 52.650 53.050 -0.029 0.000 0.984 355 N CB 1.702 40.121 38.487 -0.113 0.000 1.155 355 N HN 0.592 nan 8.380 nan 0.000 0.467 356 R N 0.834 121.166 120.500 -0.280 0.000 2.566 356 R HA 0.263 4.610 4.340 0.012 0.000 0.271 356 R C -1.220 174.896 176.300 -0.305 0.000 1.071 356 R CA -0.515 55.430 56.100 -0.258 0.000 0.915 356 R CB 1.435 31.545 30.300 -0.318 0.000 1.228 356 R HN 0.623 nan 8.270 nan 0.000 0.449 357 H N 1.516 120.473 119.070 -0.189 0.000 2.615 357 H HA 0.226 4.790 4.556 0.012 0.000 0.346 357 H C -0.550 174.778 175.328 0.001 0.000 1.200 357 H CA -0.497 55.528 56.048 -0.038 0.000 1.264 357 H CB 1.955 31.742 29.762 0.042 0.000 1.699 357 H HN 0.512 nan 8.280 nan 0.000 0.567 358 E N 1.768 122.135 120.200 0.278 0.000 2.069 358 E HA 0.063 4.420 4.350 0.012 0.000 0.254 358 E C -0.825 175.917 176.600 0.236 0.000 1.088 358 E CA -0.145 56.350 56.400 0.159 0.000 1.017 358 E CB 0.054 29.842 29.700 0.147 0.000 1.226 358 E HN 0.303 nan 8.360 nan 0.000 0.458 359 H N 1.076 120.203 119.070 0.094 0.000 2.495 359 H HA 0.269 4.833 4.556 0.012 0.000 0.348 359 H C -1.319 174.030 175.328 0.035 0.000 1.113 359 H CA -0.527 55.562 56.048 0.068 0.000 1.195 359 H CB 0.906 30.694 29.762 0.043 0.000 1.521 359 H HN 0.276 nan 8.280 nan 0.000 0.509 360 H N 6.171 124.890 119.070 -0.585 0.000 2.689 360 H HA 0.189 4.752 4.556 0.012 0.000 0.346 360 H C -2.166 172.709 175.328 -0.756 0.000 1.037 360 H CA -2.323 53.415 56.048 -0.516 0.000 1.234 360 H CB 2.447 32.050 29.762 -0.266 0.000 1.572 360 H HN 0.550 nan 8.280 nan 0.000 0.524 361 P HA -0.132 nan 4.420 nan 0.000 0.216 361 P C 1.165 178.310 177.300 -0.258 0.000 1.150 361 P CA 1.191 64.000 63.100 -0.485 0.000 0.843 361 P CB 0.637 32.077 31.700 -0.434 0.000 0.787 362 L N -2.726 118.499 121.223 0.004 0.000 2.445 362 L HA 0.154 4.501 4.340 0.012 0.000 0.207 362 L C 2.120 178.911 176.870 -0.131 0.000 1.053 362 L CA 0.475 55.272 54.840 -0.071 0.000 0.841 362 L CB -0.841 41.114 42.059 -0.173 0.000 1.074 362 L HN -0.022 nan 8.230 nan 0.000 0.479 363 H N 0.038 119.114 119.070 0.011 0.000 2.539 363 H HA 0.256 4.819 4.556 0.012 0.000 0.269 363 H C 1.616 176.869 175.328 -0.124 0.000 0.980 363 H CA 0.168 56.111 56.048 -0.175 0.000 1.152 363 H CB 0.363 29.915 29.762 -0.351 0.000 1.407 363 H HN 0.405 nan 8.280 nan 0.000 0.564 364 G N 1.756 110.517 108.800 -0.066 0.000 2.815 364 G HA2 -0.421 3.546 3.960 0.012 0.000 0.326 364 G HA3 -0.421 3.546 3.960 0.012 0.000 0.326 364 G C 0.803 175.674 174.900 -0.050 0.000 1.191 364 G CA 0.693 45.706 45.100 -0.144 0.000 0.965 364 G HN 0.510 nan 8.290 nan 0.000 0.564 365 Q N 0.069 119.848 119.800 -0.036 0.000 2.175 365 Q HA 0.523 4.870 4.340 0.012 0.000 0.225 365 Q C -0.252 175.826 176.000 0.131 0.000 0.837 365 Q CA -0.207 55.599 55.803 0.005 0.000 1.032 365 Q CB 1.776 30.439 28.738 -0.125 0.000 1.137 365 Q HN 0.343 nan 8.270 nan 0.000 0.483 366 V N 1.959 121.950 119.914 0.127 0.000 2.383 366 V HA 0.288 4.415 4.120 0.012 0.000 0.275 366 V C -0.011 176.156 176.094 0.121 0.000 1.036 366 V CA -0.262 62.122 62.300 0.140 0.000 0.889 366 V CB 1.191 33.050 31.823 0.061 0.000 0.985 366 V HN 0.341 nan 8.190 nan 0.000 0.459 367 M N 4.542 124.207 119.600 0.108 0.000 2.478 367 M HA 0.527 5.014 4.480 0.012 0.000 0.327 367 M C -0.456 175.833 176.300 -0.019 0.000 1.187 367 M CA -0.924 54.402 55.300 0.044 0.000 1.022 367 M CB 1.463 34.037 32.600 -0.043 0.000 1.629 367 M HN 0.933 nan 8.290 nan 0.000 0.461 368 D N -1.727 118.665 120.400 -0.014 0.000 2.581 368 D HA 0.270 4.917 4.640 0.012 0.000 0.232 368 D C 0.297 176.590 176.300 -0.011 0.000 1.143 368 D CA -0.694 53.291 54.000 -0.025 0.000 0.881 368 D CB 1.276 42.075 40.800 -0.001 0.000 1.500 368 D HN 0.658 nan 8.370 nan 0.000 0.458 369 E N -0.297 119.903 120.200 -0.000 0.000 2.114 369 E HA -0.353 4.004 4.350 0.012 0.000 0.199 369 E C 1.543 178.182 176.600 0.066 0.000 1.008 369 E CA 1.543 57.966 56.400 0.038 0.000 0.810 369 E CB 0.157 29.895 29.700 0.063 0.000 0.739 369 E HN 0.573 nan 8.360 nan 0.000 0.456 370 Q N -0.551 119.290 119.800 0.069 0.000 2.079 370 Q HA -0.124 4.223 4.340 0.012 0.000 0.200 370 Q C 2.137 178.195 176.000 0.097 0.000 0.974 370 Q CA 1.808 57.661 55.803 0.084 0.000 0.840 370 Q CB 0.043 28.833 28.738 0.086 0.000 0.898 370 Q HN 0.312 nan 8.270 nan 0.000 0.430 371 T N 1.234 115.855 114.554 0.111 0.000 2.684 371 T HA -0.191 4.167 4.350 0.012 0.000 0.267 371 T C 1.894 176.671 174.700 0.128 0.000 1.036 371 T CA 1.627 63.805 62.100 0.131 0.000 1.148 371 T CB -0.186 68.786 68.868 0.174 0.000 0.863 371 T HN 0.286 nan 8.240 nan 0.000 0.436 372 M N 0.576 120.255 119.600 0.133 0.000 2.073 372 M HA -0.136 4.351 4.480 0.012 0.000 0.258 372 M C 2.484 178.895 176.300 0.186 0.000 1.070 372 M CA 1.505 56.960 55.300 0.258 0.000 1.103 372 M CB -0.869 31.926 32.600 0.325 0.000 1.321 372 M HN 0.105 nan 8.290 nan 0.000 0.405 373 V N 0.127 120.085 119.914 0.073 0.000 2.252 373 V HA -0.341 3.786 4.120 0.012 0.000 0.249 373 V C 2.295 178.369 176.094 -0.034 0.000 1.056 373 V CA 2.283 64.555 62.300 -0.048 0.000 1.022 373 V CB -1.045 30.775 31.823 -0.005 0.000 0.641 373 V HN 0.525 nan 8.190 nan 0.000 0.445 374 Q N -0.296 119.535 119.800 0.051 0.000 2.047 374 Q HA -0.321 4.026 4.340 0.012 0.000 0.211 374 Q C 2.099 178.173 176.000 0.124 0.000 1.005 374 Q CA 2.564 58.419 55.803 0.086 0.000 0.866 374 Q CB -0.258 28.545 28.738 0.108 0.000 0.938 374 Q HN 0.658 nan 8.270 nan 0.000 0.414 375 D N -0.214 120.286 120.400 0.167 0.000 2.092 375 D HA -0.175 4.472 4.640 0.012 0.000 0.193 375 D C 1.867 178.171 176.300 0.006 0.000 0.994 375 D CA 1.301 55.425 54.000 0.206 0.000 0.828 375 D CB -0.270 40.648 40.800 0.197 0.000 0.963 375 D HN 0.329 nan 8.370 nan 0.000 0.450 376 I N 0.608 121.140 120.570 -0.065 0.000 2.163 376 I HA -0.258 3.919 4.170 0.012 0.000 0.243 376 I C 2.482 178.476 176.117 -0.205 0.000 1.085 376 I CA 0.736 61.889 61.300 -0.244 0.000 1.347 376 I CB -0.205 37.533 38.000 -0.436 0.000 1.044 376 I HN 0.005 nan 8.210 nan 0.000 0.408 377 L N -0.038 121.101 121.223 -0.141 0.000 2.012 377 L HA -0.255 4.092 4.340 0.012 0.000 0.210 377 L C 2.616 179.563 176.870 0.128 0.000 1.073 377 L CA 1.497 56.354 54.840 0.028 0.000 0.748 377 L CB -0.738 41.360 42.059 0.065 0.000 0.891 377 L HN 0.287 nan 8.230 nan 0.000 0.431 378 L N -1.012 120.300 121.223 0.149 0.000 1.990 378 L HA -0.299 4.048 4.340 0.012 0.000 0.213 378 L C 2.728 179.743 176.870 0.242 0.000 1.072 378 L CA 1.528 56.523 54.840 0.258 0.000 0.755 378 L CB -0.287 42.015 42.059 0.404 0.000 0.889 378 L HN 0.251 nan 8.230 nan 0.000 0.432 379 M N -0.463 119.141 119.600 0.005 0.000 2.115 379 M HA -0.284 4.203 4.480 0.012 0.000 0.258 379 M C 2.301 178.634 176.300 0.056 0.000 1.071 379 M CA 2.016 57.199 55.300 -0.195 0.000 1.100 379 M CB -0.265 32.058 32.600 -0.462 0.000 1.292 379 M HN 0.050 nan 8.290 nan 0.000 0.415 380 K N -0.404 119.930 120.400 -0.110 0.000 2.063 380 K HA -0.238 4.089 4.320 0.012 0.000 0.208 380 K C 1.882 178.451 176.600 -0.053 0.000 1.048 380 K CA 1.693 57.806 56.287 -0.290 0.000 0.928 380 K CB -0.605 31.393 32.500 -0.835 0.000 0.713 380 K HN 0.575 nan 8.250 nan 0.000 0.442 381 Q N 0.548 120.497 119.800 0.248 0.000 2.364 381 Q HA -0.048 4.299 4.340 0.012 0.000 0.209 381 Q C 0.761 177.077 176.000 0.527 0.000 0.977 381 Q CA 0.689 56.794 55.803 0.504 0.000 0.885 381 Q CB -0.013 29.010 28.738 0.474 0.000 0.941 381 Q HN 0.330 nan 8.270 nan 0.000 0.464 382 N N 0.787 119.732 118.700 0.408 0.000 2.321 382 N HA 0.053 4.800 4.740 0.012 0.000 0.242 382 N C -0.768 174.904 175.510 0.269 0.000 1.141 382 N CA 0.008 53.304 53.050 0.410 0.000 0.864 382 N CB 0.729 39.531 38.487 0.525 0.000 1.100 382 N HN 0.186 nan 8.380 nan 0.000 0.510 383 N N 0.052 118.886 118.700 0.223 0.000 2.776 383 N HA -0.184 4.563 4.740 0.012 0.000 0.250 383 N C -0.909 174.495 175.510 -0.177 0.000 1.112 383 N CA 0.884 53.948 53.050 0.023 0.000 0.733 383 N CB -1.914 36.475 38.487 -0.163 0.000 1.097 383 N HN 0.247 nan 8.380 nan 0.000 0.558 384 F N 0.976 120.910 119.950 -0.028 0.000 2.458 384 F HA 0.447 4.981 4.527 0.012 0.000 0.330 384 F C 1.647 177.404 175.800 -0.071 0.000 1.082 384 F CA -0.743 57.217 58.000 -0.067 0.000 0.995 384 F CB 1.180 40.112 39.000 -0.114 0.000 1.170 384 F HN -0.005 nan 8.300 nan 0.000 0.478 385 N N 0.246 119.037 118.700 0.152 0.000 2.113 385 N HA 0.369 5.116 4.740 0.012 0.000 0.223 385 N C -0.739 174.760 175.510 -0.019 0.000 1.310 385 N CA 0.012 53.068 53.050 0.010 0.000 0.896 385 N CB 0.660 39.212 38.487 0.107 0.000 1.097 385 N HN 0.438 nan 8.380 nan 0.000 0.507 386 A N -0.015 122.875 122.820 0.116 0.000 2.454 386 A HA 0.808 5.135 4.320 0.012 0.000 0.302 386 A C -1.358 176.371 177.584 0.243 0.000 1.079 386 A CA -0.786 51.376 52.037 0.209 0.000 0.731 386 A CB 2.089 21.195 19.000 0.177 0.000 1.299 386 A HN 0.154 nan 8.150 nan 0.000 0.413 387 V N 1.432 121.583 119.914 0.395 0.000 2.925 387 V HA 0.821 4.948 4.120 0.012 0.000 0.311 387 V C -0.691 175.632 176.094 0.381 0.000 1.104 387 V CA -0.803 61.711 62.300 0.356 0.000 0.954 387 V CB 1.967 33.902 31.823 0.187 0.000 1.022 387 V HN 1.105 nan 8.190 nan 0.000 0.427 388 R N 4.483 125.097 120.500 0.191 0.000 2.562 388 R HA 0.530 4.877 4.340 0.012 0.000 0.298 388 R C -1.083 175.148 176.300 -0.115 0.000 0.961 388 R CA -0.517 55.523 56.100 -0.100 0.000 0.881 388 R CB 1.438 31.444 30.300 -0.490 0.000 1.159 388 R HN 0.798 nan 8.270 nan 0.000 0.450 389 C N 3.951 123.179 119.300 -0.120 0.000 2.615 389 C HA 0.178 4.645 4.460 0.012 0.000 0.503 389 C C 0.490 175.209 174.990 -0.451 0.000 1.039 389 C CA -0.709 58.165 59.018 -0.239 0.000 1.226 389 C CB -1.780 25.907 27.740 -0.087 0.000 1.447 389 C HN 0.693 nan 8.230 nan 0.000 0.572 390 S N 1.545 116.875 115.700 -0.616 0.000 2.437 390 S HA 0.153 4.630 4.470 0.012 0.000 0.304 390 S C -0.030 173.570 174.600 -1.666 0.000 1.167 390 S CA 0.151 57.681 58.200 -1.117 0.000 1.106 390 S CB -0.210 62.484 63.200 -0.844 0.000 1.099 390 S HN 0.757 nan 8.310 nan 0.000 0.524 391 H N 3.054 121.304 119.070 -1.366 0.000 2.947 391 H HA 0.281 4.844 4.556 0.012 0.000 0.222 391 H C -1.059 174.043 175.328 -0.377 0.000 1.414 391 H CA -0.422 55.287 56.048 -0.565 0.000 1.224 391 H CB -0.165 29.525 29.762 -0.119 0.000 2.100 391 H HN 0.853 nan 8.280 nan 0.000 0.524 392 Y N -2.720 117.663 120.300 0.138 0.000 2.779 392 Y HA 0.508 5.065 4.550 0.012 0.000 0.340 392 Y C -3.229 172.765 175.900 0.156 0.000 1.252 392 Y CA -3.323 54.870 58.100 0.155 0.000 1.072 392 Y CB -0.076 38.476 38.460 0.153 0.000 1.343 392 Y HN -0.170 nan 8.280 nan 0.000 0.450 393 P HA 0.182 nan 4.420 nan 0.000 0.276 393 P C -0.681 176.915 177.300 0.493 0.000 1.235 393 P CA 0.138 63.497 63.100 0.432 0.000 0.772 393 P CB 0.616 32.499 31.700 0.304 0.000 0.871 394 N N 1.145 120.145 118.700 0.500 0.000 2.445 394 N HA 0.043 4.791 4.740 0.012 0.000 0.264 394 N C 0.314 176.107 175.510 0.471 0.000 1.227 394 N CA -0.444 52.809 53.050 0.340 0.000 0.963 394 N CB 0.378 38.829 38.487 -0.060 0.000 1.188 394 N HN 0.591 nan 8.380 nan 0.000 0.491 395 H N 2.387 121.579 119.070 0.205 0.000 3.034 395 H HA 0.005 4.568 4.556 0.012 0.000 0.324 395 H C -1.680 173.863 175.328 0.358 0.000 1.015 395 H CA -1.029 55.143 56.048 0.208 0.000 1.429 395 H CB 0.833 30.664 29.762 0.116 0.000 1.429 395 H HN 0.434 nan 8.280 nan 0.000 0.585 396 P HA -0.304 nan 4.420 nan 0.000 0.219 396 P C 1.983 179.663 177.300 0.634 0.000 1.159 396 P CA 1.153 64.570 63.100 0.528 0.000 0.944 396 P CB 0.087 31.897 31.700 0.184 0.000 0.792 397 L N -1.283 120.360 121.223 0.700 0.000 2.085 397 L HA -0.207 4.140 4.340 0.012 0.000 0.218 397 L C 2.431 179.469 176.870 0.279 0.000 1.080 397 L CA 1.750 56.839 54.840 0.415 0.000 0.776 397 L CB -1.536 40.696 42.059 0.289 0.000 0.891 397 L HN 0.166 nan 8.230 nan 0.000 0.437 398 W N -0.470 120.850 121.300 0.034 0.000 2.289 398 W HA -0.408 4.259 4.660 0.011 0.000 0.331 398 W C 2.463 178.849 176.519 -0.222 0.000 1.283 398 W CA 2.318 59.555 57.345 -0.181 0.000 1.252 398 W CB -0.709 28.527 29.460 -0.374 0.000 1.153 398 W HN 0.268 nan 8.180 nan 0.000 0.467 399 Y N 0.789 121.001 120.300 -0.147 0.000 2.151 399 Y HA -0.295 4.261 4.550 0.011 0.000 0.284 399 Y C 2.813 178.450 175.900 -0.438 0.000 1.166 399 Y CA 2.298 60.105 58.100 -0.490 0.000 1.163 399 Y CB -1.501 36.422 38.460 -0.896 0.000 0.974 399 Y HN -0.116 nan 8.280 nan 0.000 0.511 400 T N 0.595 115.129 114.554 -0.034 0.000 2.701 400 T HA -0.144 4.213 4.350 0.012 0.000 0.263 400 T C 2.064 176.785 174.700 0.034 0.000 1.040 400 T CA 1.384 63.542 62.100 0.097 0.000 1.147 400 T CB -0.598 68.398 68.868 0.213 0.000 0.865 400 T HN 0.235 nan 8.240 nan 0.000 0.426 401 L N 0.470 121.681 121.223 -0.021 0.000 2.042 401 L HA -0.168 4.179 4.340 0.012 0.000 0.210 401 L C 2.935 179.773 176.870 -0.053 0.000 1.076 401 L CA 1.011 55.863 54.840 0.021 0.000 0.749 401 L CB -0.821 41.175 42.059 -0.106 0.000 0.893 401 L HN 0.415 nan 8.230 nan 0.000 0.432 402 C N -0.006 119.095 119.300 -0.331 0.000 2.432 402 C HA -0.181 4.286 4.460 0.012 0.000 0.277 402 C C 2.478 177.480 174.990 0.020 0.000 1.249 402 C CA 0.753 59.593 59.018 -0.296 0.000 1.725 402 C CB -0.781 26.648 27.740 -0.519 0.000 2.028 402 C HN 0.565 nan 8.230 nan 0.000 0.477 403 D N 0.153 120.560 120.400 0.012 0.000 2.126 403 D HA -0.154 4.493 4.640 0.012 0.000 0.190 403 D C 2.314 178.786 176.300 0.285 0.000 1.001 403 D CA 1.464 55.513 54.000 0.082 0.000 0.841 403 D CB -0.411 40.421 40.800 0.053 0.000 0.949 403 D HN 0.490 nan 8.370 nan 0.000 0.446 404 R N -0.908 119.690 120.500 0.164 0.000 2.057 404 R HA -0.058 4.289 4.340 0.012 0.000 0.229 404 R C 2.390 178.707 176.300 0.027 0.000 1.136 404 R CA 0.902 57.058 56.100 0.093 0.000 0.952 404 R CB -0.373 29.928 30.300 0.002 0.000 0.848 404 R HN 0.264 nan 8.270 nan 0.000 0.430 405 Y N -0.398 119.904 120.300 0.003 0.000 2.516 405 Y HA 0.158 4.715 4.550 0.011 0.000 0.291 405 Y C 0.829 176.656 175.900 -0.122 0.000 1.131 405 Y CA 0.874 58.946 58.100 -0.047 0.000 1.281 405 Y CB 0.507 38.905 38.460 -0.103 0.000 1.013 405 Y HN 0.288 nan 8.280 nan 0.000 0.554 406 G N 1.251 110.100 108.800 0.082 0.000 2.940 406 G HA2 -0.180 3.787 3.960 0.012 0.000 0.273 406 G HA3 -0.180 3.787 3.960 0.012 0.000 0.273 406 G C -1.127 173.629 174.900 -0.239 0.000 1.030 406 G CA -0.460 44.589 45.100 -0.084 0.000 1.066 406 G HN 0.191 nan 8.290 nan 0.000 0.466 407 L N 1.474 122.621 121.223 -0.128 0.000 2.493 407 L HA 0.447 4.795 4.340 0.012 0.000 0.265 407 L C 0.022 176.823 176.870 -0.116 0.000 0.954 407 L CA -1.284 53.402 54.840 -0.255 0.000 0.844 407 L CB 1.895 43.815 42.059 -0.232 0.000 1.302 407 L HN 0.522 nan 8.230 nan 0.000 0.405 408 Y N 2.391 122.792 120.300 0.169 0.000 2.425 408 Y HA 0.353 4.911 4.550 0.014 0.000 0.331 408 Y C 0.254 176.265 175.900 0.185 0.000 1.157 408 Y CA -0.569 57.660 58.100 0.215 0.000 1.372 408 Y CB 0.878 39.458 38.460 0.199 0.000 1.253 408 Y HN 0.141 nan 8.280 nan 0.000 0.536 409 V N 3.891 123.997 119.914 0.321 0.000 2.735 409 V HA 0.388 4.515 4.120 0.012 0.000 0.310 409 V C -0.674 175.496 176.094 0.127 0.000 1.061 409 V CA -1.049 61.372 62.300 0.202 0.000 0.913 409 V CB 1.975 33.869 31.823 0.118 0.000 1.005 409 V HN 0.476 nan 8.190 nan 0.000 0.428 410 V N 2.567 122.540 119.914 0.099 0.000 2.313 410 V HA 0.348 4.475 4.120 0.012 0.000 0.278 410 V C -0.427 175.712 176.094 0.077 0.000 1.017 410 V CA -0.456 61.852 62.300 0.014 0.000 0.823 410 V CB 1.356 33.094 31.823 -0.141 0.000 1.010 410 V HN 0.877 nan 8.190 nan 0.000 0.443 411 D N 3.870 124.339 120.400 0.115 0.000 2.317 411 D HA 0.252 4.899 4.640 0.012 0.000 0.252 411 D C -0.109 176.369 176.300 0.298 0.000 1.174 411 D CA 0.171 54.340 54.000 0.281 0.000 0.866 411 D CB 1.020 42.057 40.800 0.395 0.000 1.127 411 D HN 0.664 nan 8.370 nan 0.000 0.467 412 E N 2.113 122.452 120.200 0.233 0.000 2.155 412 E HA 0.554 4.911 4.350 0.012 0.000 0.264 412 E C -0.806 175.914 176.600 0.200 0.000 0.886 412 E CA -1.026 55.492 56.400 0.196 0.000 0.752 412 E CB 1.197 30.972 29.700 0.126 0.000 1.133 412 E HN 0.527 nan 8.360 nan 0.000 0.414 413 A N 4.004 126.940 122.820 0.194 0.000 2.507 413 A HA -0.029 4.298 4.320 0.012 0.000 0.235 413 A C 0.435 178.128 177.584 0.181 0.000 1.070 413 A CA -0.134 52.001 52.037 0.163 0.000 0.768 413 A CB 0.152 19.216 19.000 0.107 0.000 1.011 413 A HN 0.697 nan 8.150 nan 0.000 0.502 414 N N 0.557 119.372 118.700 0.192 0.000 2.895 414 N HA 0.339 5.086 4.740 0.012 0.000 0.277 414 N C -1.233 174.391 175.510 0.190 0.000 1.185 414 N CA 0.173 53.367 53.050 0.239 0.000 1.106 414 N CB -0.896 37.753 38.487 0.271 0.000 1.422 414 N HN 0.446 nan 8.380 nan 0.000 0.521 415 I N 0.984 121.658 120.570 0.173 0.000 2.529 415 I HA 0.267 4.444 4.170 0.012 0.000 0.284 415 I C -0.610 175.585 176.117 0.131 0.000 1.088 415 I CA -0.468 60.918 61.300 0.143 0.000 1.062 415 I CB 1.943 40.003 38.000 0.099 0.000 1.218 415 I HN 0.220 nan 8.210 nan 0.000 0.442 416 E N 3.602 123.881 120.200 0.131 0.000 2.274 416 E HA 0.445 4.802 4.350 0.012 0.000 0.269 416 E C -0.418 176.243 176.600 0.102 0.000 0.891 416 E CA -0.416 56.034 56.400 0.083 0.000 0.784 416 E CB 1.505 31.239 29.700 0.058 0.000 1.225 416 E HN 0.609 nan 8.360 nan 0.000 0.412 417 T N 0.464 115.062 114.554 0.074 0.000 3.296 417 T HA 0.138 4.495 4.350 0.012 0.000 0.285 417 T C 1.061 175.813 174.700 0.087 0.000 1.014 417 T CA -0.160 62.020 62.100 0.132 0.000 0.920 417 T CB -0.310 68.591 68.868 0.056 0.000 1.143 417 T HN 0.670 nan 8.240 nan 0.000 0.522 418 H N 1.657 120.653 119.070 -0.123 0.000 2.286 418 H HA -0.219 4.345 4.556 0.012 0.000 0.284 418 H C 2.389 177.590 175.328 -0.211 0.000 1.116 418 H CA 1.814 57.744 56.048 -0.198 0.000 1.175 418 H CB -0.463 29.142 29.762 -0.262 0.000 1.347 418 H HN 0.556 nan 8.280 nan 0.000 0.475 419 G N 0.611 109.285 108.800 -0.210 0.000 2.535 419 G HA2 -0.141 3.826 3.960 0.012 0.000 0.218 419 G HA3 -0.141 3.826 3.960 0.012 0.000 0.218 419 G C 0.600 175.595 174.900 0.158 0.000 1.122 419 G CA 0.192 45.195 45.100 -0.162 0.000 0.769 419 G HN 0.187 nan 8.290 nan 0.000 0.549 420 M N 0.167 119.902 119.600 0.226 0.000 2.219 420 M HA 0.261 4.748 4.480 0.012 0.000 0.307 420 M C -0.290 176.032 176.300 0.037 0.000 1.116 420 M CA 0.114 55.493 55.300 0.132 0.000 1.181 420 M CB 1.224 33.855 32.600 0.051 0.000 1.410 420 M HN -0.164 nan 8.290 nan 0.000 0.454 421 V N 3.189 123.102 119.914 -0.001 0.000 2.524 421 V HA 0.356 4.484 4.120 0.012 0.000 0.297 421 V C -2.036 174.040 176.094 -0.031 0.000 1.035 421 V CA -1.275 61.015 62.300 -0.017 0.000 0.867 421 V CB 1.709 33.520 31.823 -0.020 0.000 1.004 421 V HN 0.715 nan 8.190 nan 0.000 0.426 422 P HA 0.339 nan 4.420 nan 0.000 0.293 422 P C 1.090 178.378 177.300 -0.021 0.000 1.298 422 P CA -0.462 62.622 63.100 -0.026 0.000 0.757 422 P CB 1.035 32.720 31.700 -0.025 0.000 1.262 423 M N 0.188 119.780 119.600 -0.013 0.000 2.086 423 M HA -0.169 4.318 4.480 0.012 0.000 0.261 423 M C 1.690 177.990 176.300 0.001 0.000 1.067 423 M CA 2.147 57.446 55.300 -0.002 0.000 1.116 423 M CB -0.782 31.808 32.600 -0.016 0.000 1.348 423 M HN 0.405 nan 8.290 nan 0.000 0.407 424 N N 0.522 119.230 118.700 0.013 0.000 2.573 424 N HA -0.185 4.562 4.740 0.012 0.000 0.187 424 N C 1.332 176.809 175.510 -0.054 0.000 1.107 424 N CA 0.829 53.891 53.050 0.020 0.000 0.918 424 N CB -0.898 37.612 38.487 0.038 0.000 0.966 424 N HN 0.363 nan 8.380 nan 0.000 0.448 425 R N 0.460 120.915 120.500 -0.074 0.000 2.159 425 R HA -0.182 4.165 4.340 0.012 0.000 0.252 425 R C 1.426 177.602 176.300 -0.207 0.000 1.144 425 R CA 2.104 58.133 56.100 -0.118 0.000 0.961 425 R CB -0.191 30.046 30.300 -0.107 0.000 0.877 425 R HN 0.394 nan 8.270 nan 0.000 0.444 426 L N -1.139 119.890 121.223 -0.323 0.000 2.253 426 L HA 0.049 4.396 4.340 0.012 0.000 0.205 426 L C 2.585 179.269 176.870 -0.311 0.000 1.078 426 L CA 1.017 55.509 54.840 -0.580 0.000 0.805 426 L CB -0.625 40.589 42.059 -1.409 0.000 0.963 426 L HN 0.263 nan 8.230 nan 0.000 0.459 427 T N -3.400 111.016 114.554 -0.231 0.000 2.897 427 T HA -0.226 4.131 4.350 0.012 0.000 0.271 427 T C 1.332 175.930 174.700 -0.170 0.000 1.084 427 T CA 1.766 63.730 62.100 -0.226 0.000 1.123 427 T CB -0.391 68.312 68.868 -0.274 0.000 0.865 427 T HN 0.228 nan 8.240 nan 0.000 0.496 428 D N 0.857 121.194 120.400 -0.106 0.000 2.339 428 D HA 0.101 4.748 4.640 0.012 0.000 0.217 428 D C -0.052 176.226 176.300 -0.038 0.000 1.050 428 D CA -0.127 53.827 54.000 -0.077 0.000 0.856 428 D CB 0.022 40.778 40.800 -0.073 0.000 0.922 428 D HN 0.340 nan 8.370 nan 0.000 0.518 429 D N -0.471 119.927 120.400 -0.004 0.000 2.232 429 D HA 0.104 4.751 4.640 0.012 0.000 0.242 429 D C -1.638 174.728 176.300 0.110 0.000 1.093 429 D CA -2.294 51.753 54.000 0.078 0.000 0.845 429 D CB 1.967 42.885 40.800 0.198 0.000 1.124 429 D HN -0.083 nan 8.370 nan 0.000 0.467 430 P HA -0.157 nan 4.420 nan 0.000 0.214 430 P C 1.216 178.511 177.300 -0.008 0.000 1.163 430 P CA 1.176 64.281 63.100 0.009 0.000 0.883 430 P CB 0.192 31.885 31.700 -0.012 0.000 0.788 431 R N -1.219 119.267 120.500 -0.023 0.000 2.153 431 R HA -0.189 4.158 4.340 0.012 0.000 0.252 431 R C 2.212 178.323 176.300 -0.315 0.000 1.158 431 R CA 1.815 57.809 56.100 -0.176 0.000 0.975 431 R CB -1.188 28.975 30.300 -0.229 0.000 0.871 431 R HN 0.341 nan 8.270 nan 0.000 0.450 432 W N 0.660 121.899 121.300 -0.102 0.000 2.905 432 W HA 0.056 4.723 4.660 0.011 0.000 0.251 432 W C 1.882 178.337 176.519 -0.107 0.000 1.305 432 W CA -0.223 57.059 57.345 -0.105 0.000 1.465 432 W CB -0.307 29.086 29.460 -0.112 0.000 1.122 432 W HN 0.025 nan 8.180 nan 0.000 0.659 433 L N 2.087 123.330 121.223 0.034 0.000 2.011 433 L HA -0.247 4.100 4.340 0.012 0.000 0.225 433 L C -0.461 176.369 176.870 -0.067 0.000 1.084 433 L CA 2.451 57.274 54.840 -0.028 0.000 0.791 433 L CB -1.719 40.313 42.059 -0.044 0.000 0.898 433 L HN -0.183 nan 8.230 nan 0.000 0.440 434 P HA -0.104 nan 4.420 nan 0.000 0.220 434 P C 1.286 178.528 177.300 -0.096 0.000 1.148 434 P CA 1.845 64.877 63.100 -0.114 0.000 0.803 434 P CB -0.223 31.400 31.700 -0.128 0.000 0.782 435 A N -0.022 122.761 122.820 -0.062 0.000 1.840 435 A HA -0.125 4.203 4.320 0.012 0.000 0.214 435 A C 2.253 179.842 177.584 0.008 0.000 1.198 435 A CA 1.780 53.815 52.037 -0.003 0.000 0.608 435 A CB -1.452 17.614 19.000 0.111 0.000 0.839 435 A HN 0.023 nan 8.150 nan 0.000 0.443 436 M N 0.550 120.171 119.600 0.035 0.000 2.106 436 M HA -0.203 4.284 4.480 0.012 0.000 0.259 436 M C 2.535 178.780 176.300 -0.093 0.000 1.068 436 M CA 1.998 57.292 55.300 -0.011 0.000 1.100 436 M CB -0.884 31.691 32.600 -0.041 0.000 1.351 436 M HN 0.665 nan 8.290 nan 0.000 0.404 437 S N 0.669 116.287 115.700 -0.136 0.000 2.368 437 S HA -0.224 4.253 4.470 0.012 0.000 0.226 437 S C 1.775 176.199 174.600 -0.292 0.000 1.044 437 S CA 1.749 59.801 58.200 -0.247 0.000 1.062 437 S CB -0.481 62.561 63.200 -0.263 0.000 0.931 437 S HN 0.472 nan 8.310 nan 0.000 0.440 438 E N 1.104 121.185 120.200 -0.199 0.000 2.038 438 E HA -0.173 4.184 4.350 0.012 0.000 0.195 438 E C 2.420 178.928 176.600 -0.153 0.000 1.000 438 E CA 1.316 57.612 56.400 -0.173 0.000 0.803 438 E CB -0.391 29.247 29.700 -0.102 0.000 0.750 438 E HN 0.571 nan 8.360 nan 0.000 0.448 439 R N 0.183 120.627 120.500 -0.094 0.000 2.133 439 R HA -0.173 4.174 4.340 0.012 0.000 0.247 439 R C 2.405 178.663 176.300 -0.070 0.000 1.151 439 R CA 1.543 57.617 56.100 -0.042 0.000 0.971 439 R CB -0.276 30.028 30.300 0.007 0.000 0.866 439 R HN 0.048 nan 8.270 nan 0.000 0.447 440 V N -0.325 119.501 119.914 -0.147 0.000 2.341 440 V HA -0.198 3.929 4.120 0.012 0.000 0.240 440 V C 2.443 178.365 176.094 -0.287 0.000 1.035 440 V CA 1.932 64.120 62.300 -0.186 0.000 1.033 440 V CB -0.720 30.981 31.823 -0.203 0.000 0.678 440 V HN 0.584 nan 8.190 nan 0.000 0.464 441 T N 0.708 114.966 114.554 -0.493 0.000 2.565 441 T HA -0.360 3.997 4.350 0.012 0.000 0.265 441 T C 1.902 176.465 174.700 -0.228 0.000 1.082 441 T CA 2.193 63.942 62.100 -0.584 0.000 1.173 441 T CB -0.691 67.697 68.868 -0.801 0.000 0.864 441 T HN 0.465 nan 8.240 nan 0.000 0.425 442 R N 0.652 121.033 120.500 -0.198 0.000 2.127 442 R HA 0.034 4.381 4.340 0.012 0.000 0.238 442 R C 2.744 178.969 176.300 -0.125 0.000 1.134 442 R CA 1.644 57.661 56.100 -0.139 0.000 0.975 442 R CB -0.626 29.598 30.300 -0.127 0.000 0.865 442 R HN 0.516 nan 8.270 nan 0.000 0.447 443 M N 0.835 120.363 119.600 -0.120 0.000 2.067 443 M HA -0.175 4.312 4.480 0.012 0.000 0.260 443 M C 2.039 178.261 176.300 -0.130 0.000 1.069 443 M CA 1.761 57.015 55.300 -0.078 0.000 1.117 443 M CB 0.019 32.610 32.600 -0.015 0.000 1.334 443 M HN 0.006 nan 8.290 nan 0.000 0.407 444 V N 0.627 120.350 119.914 -0.320 0.000 2.295 444 V HA -0.308 3.819 4.120 0.012 0.000 0.246 444 V C 2.245 178.233 176.094 -0.177 0.000 1.049 444 V CA 2.080 64.074 62.300 -0.510 0.000 1.024 444 V CB -1.016 30.483 31.823 -0.540 0.000 0.648 444 V HN 0.580 nan 8.190 nan 0.000 0.447 445 Q N -0.667 119.064 119.800 -0.115 0.000 2.173 445 Q HA -0.290 4.057 4.340 0.012 0.000 0.208 445 Q C 2.529 178.461 176.000 -0.113 0.000 0.989 445 Q CA 2.188 57.941 55.803 -0.084 0.000 0.872 445 Q CB -0.188 28.515 28.738 -0.058 0.000 0.909 445 Q HN 0.518 nan 8.270 nan 0.000 0.420 446 R N -0.167 120.255 120.500 -0.130 0.000 2.090 446 R HA -0.082 4.265 4.340 0.012 0.000 0.219 446 R C 0.943 177.180 176.300 -0.106 0.000 1.100 446 R CA 1.262 57.263 56.100 -0.165 0.000 0.991 446 R CB 0.305 30.497 30.300 -0.180 0.000 0.893 446 R HN 0.179 nan 8.270 nan 0.000 0.443 447 D N 0.559 120.960 120.400 0.001 0.000 2.289 447 D HA -0.080 4.567 4.640 0.012 0.000 0.207 447 D C 1.785 178.231 176.300 0.244 0.000 0.966 447 D CA 0.562 54.639 54.000 0.127 0.000 0.868 447 D CB -0.039 40.846 40.800 0.142 0.000 0.943 447 D HN 0.345 nan 8.370 nan 0.000 0.514 448 R N 1.124 121.788 120.500 0.273 0.000 2.178 448 R HA -0.171 4.176 4.340 0.012 0.000 0.257 448 R C 0.822 177.139 176.300 0.028 0.000 1.163 448 R CA 1.490 57.729 56.100 0.232 0.000 0.981 448 R CB -0.637 29.706 30.300 0.070 0.000 0.878 448 R HN 0.097 nan 8.270 nan 0.000 0.454 449 N N 0.210 118.829 118.700 -0.134 0.000 2.322 449 N HA 0.012 4.759 4.740 0.012 0.000 0.194 449 N C -0.537 174.821 175.510 -0.255 0.000 1.126 449 N CA 0.194 53.119 53.050 -0.208 0.000 0.845 449 N CB 0.154 38.491 38.487 -0.250 0.000 0.976 449 N HN 0.329 nan 8.380 nan 0.000 0.475 450 H N 1.108 120.104 119.070 -0.124 0.000 2.604 450 H HA 0.158 4.720 4.556 0.011 0.000 0.306 450 H C -1.282 173.880 175.328 -0.277 0.000 1.075 450 H CA -1.454 54.494 56.048 -0.166 0.000 1.357 450 H CB 1.787 31.491 29.762 -0.097 0.000 1.426 450 H HN -0.022 nan 8.280 nan 0.000 0.470 451 P HA -0.126 nan 4.420 nan 0.000 0.220 451 P C 1.374 178.186 177.300 -0.813 0.000 1.148 451 P CA 0.932 63.647 63.100 -0.642 0.000 0.803 451 P CB 0.281 31.302 31.700 -1.132 0.000 0.782 452 S N -0.925 114.409 115.700 -0.611 0.000 2.399 452 S HA -0.048 4.429 4.470 0.012 0.000 0.231 452 S C 1.114 175.679 174.600 -0.058 0.000 1.022 452 S CA 0.424 58.450 58.200 -0.290 0.000 0.983 452 S CB -1.503 61.629 63.200 -0.113 0.000 0.803 452 S HN -0.055 nan 8.310 nan 0.000 0.480 453 V N 4.107 123.949 119.914 -0.121 0.000 2.403 453 V HA 0.156 4.283 4.120 0.012 0.000 0.265 453 V C 1.178 177.143 176.094 -0.215 0.000 1.034 453 V CA 0.039 62.240 62.300 -0.165 0.000 1.036 453 V CB -0.148 31.489 31.823 -0.310 0.000 1.032 453 V HN 0.584 nan 8.190 nan 0.000 0.478 454 I N 2.441 122.952 120.570 -0.099 0.000 3.939 454 I HA 0.466 4.643 4.170 0.012 0.000 0.313 454 I C 0.506 176.523 176.117 -0.166 0.000 1.274 454 I CA 0.615 61.863 61.300 -0.086 0.000 1.301 454 I CB 0.446 38.464 38.000 0.030 0.000 1.105 454 I HN 0.319 nan 8.210 nan 0.000 0.427 455 I N 0.205 120.660 120.570 -0.192 0.000 2.619 455 I HA 0.356 4.533 4.170 0.012 0.000 0.292 455 I C -1.510 174.494 176.117 -0.188 0.000 1.100 455 I CA -0.354 60.852 61.300 -0.156 0.000 1.043 455 I CB 2.129 40.116 38.000 -0.022 0.000 1.239 455 I HN 0.016 nan 8.210 nan 0.000 0.420 456 W N 4.625 125.957 121.300 0.055 0.000 2.417 456 W HA 0.586 5.252 4.660 0.010 0.000 0.317 456 W C 0.348 176.910 176.519 0.072 0.000 1.121 456 W CA -0.607 56.776 57.345 0.063 0.000 1.208 456 W CB 1.622 31.114 29.460 0.053 0.000 1.253 456 W HN 0.314 nan 8.180 nan 0.000 0.533 457 S N 3.834 119.747 115.700 0.355 0.000 2.473 457 S HA 0.351 4.828 4.470 0.012 0.000 0.307 457 S C 0.451 175.203 174.600 0.253 0.000 1.094 457 S CA -0.742 57.610 58.200 0.252 0.000 1.070 457 S CB 0.785 64.079 63.200 0.157 0.000 1.019 457 S HN 0.600 nan 8.310 nan 0.000 0.480 458 L N 4.165 125.544 121.223 0.261 0.000 2.633 458 L HA 0.255 4.602 4.340 0.012 0.000 0.235 458 L C 1.510 178.468 176.870 0.147 0.000 1.163 458 L CA 0.682 55.617 54.840 0.157 0.000 0.859 458 L CB -1.412 40.645 42.059 -0.002 0.000 0.973 458 L HN 1.037 nan 8.230 nan 0.000 0.451 459 G N -0.293 108.655 108.800 0.246 0.000 2.318 459 G HA2 -0.151 3.816 3.960 0.012 0.000 0.367 459 G HA3 -0.151 3.816 3.960 0.012 0.000 0.367 459 G C -1.503 173.531 174.900 0.224 0.000 1.260 459 G CA -0.642 44.581 45.100 0.206 0.000 1.055 459 G HN 0.149 nan 8.290 nan 0.000 0.484 460 N N 0.158 118.911 118.700 0.090 0.000 2.262 460 N HA 0.534 5.281 4.740 0.012 0.000 0.295 460 N C -0.398 175.050 175.510 -0.104 0.000 1.161 460 N CA -0.134 52.839 53.050 -0.130 0.000 0.767 460 N CB 1.597 39.695 38.487 -0.650 0.000 1.499 460 N HN 0.813 nan 8.380 nan 0.000 0.476 461 E N 0.146 120.183 120.200 -0.272 0.000 1.822 461 E HA -0.195 4.162 4.350 0.012 0.000 0.168 461 E C -0.744 175.752 176.600 -0.174 0.000 1.351 461 E CA 0.581 56.751 56.400 -0.384 0.000 0.547 461 E CB -1.070 28.078 29.700 -0.921 0.000 1.036 461 E HN 0.321 nan 8.360 nan 0.000 0.280 462 S N 0.546 116.292 115.700 0.076 0.000 2.941 462 S HA 0.391 4.868 4.470 0.012 0.000 0.251 462 S C 0.660 175.405 174.600 0.242 0.000 1.029 462 S CA -0.120 58.181 58.200 0.168 0.000 1.062 462 S CB 1.184 64.535 63.200 0.252 0.000 0.977 462 S HN 0.884 nan 8.310 nan 0.000 0.552 463 G N 1.977 110.857 108.800 0.133 0.000 2.575 463 G HA2 -0.255 3.712 3.960 0.012 0.000 0.267 463 G HA3 -0.255 3.712 3.960 0.012 0.000 0.267 463 G C -0.472 174.613 174.900 0.308 0.000 1.264 463 G CA 0.167 45.352 45.100 0.142 0.000 0.935 463 G HN 0.682 nan 8.290 nan 0.000 0.568 464 H N 0.133 119.304 119.070 0.169 0.000 3.096 464 H HA 0.561 5.124 4.556 0.012 0.000 0.335 464 H C 0.199 175.687 175.328 0.267 0.000 0.990 464 H CA -0.048 56.131 56.048 0.219 0.000 1.393 464 H CB 0.781 30.611 29.762 0.113 0.000 1.742 464 H HN 1.199 nan 8.280 nan 0.000 0.501 465 G N 1.373 110.373 108.800 0.333 0.000 2.714 465 G HA2 0.479 4.446 3.960 0.012 0.000 0.292 465 G HA3 0.479 4.446 3.960 0.012 0.000 0.292 465 G C 0.610 175.456 174.900 -0.090 0.000 1.308 465 G CA -0.199 44.852 45.100 -0.081 0.000 0.964 465 G HN 0.667 nan 8.290 nan 0.000 0.484 466 A N 0.246 123.000 122.820 -0.109 0.000 1.908 466 A HA -0.127 4.200 4.320 0.012 0.000 0.218 466 A C 2.210 179.792 177.584 -0.004 0.000 1.181 466 A CA 2.218 54.234 52.037 -0.036 0.000 0.627 466 A CB -0.712 18.269 19.000 -0.032 0.000 0.818 466 A HN 0.574 nan 8.150 nan 0.000 0.445 467 N N -0.273 118.380 118.700 -0.079 0.000 2.096 467 N HA -0.219 4.528 4.740 0.012 0.000 0.195 467 N C 1.395 176.836 175.510 -0.115 0.000 1.017 467 N CA 2.123 55.095 53.050 -0.131 0.000 0.870 467 N CB -0.699 37.650 38.487 -0.230 0.000 1.024 467 N HN 0.814 nan 8.380 nan 0.000 0.434 468 H N -0.015 119.058 119.070 0.004 0.000 2.299 468 H HA -0.025 4.538 4.556 0.012 0.000 0.302 468 H C 1.421 176.805 175.328 0.094 0.000 1.078 468 H CA 1.395 57.439 56.048 -0.007 0.000 1.323 468 H CB -0.004 29.759 29.762 0.001 0.000 1.381 468 H HN 0.225 nan 8.280 nan 0.000 0.498 469 D N 0.596 121.165 120.400 0.282 0.000 2.116 469 D HA -0.193 4.454 4.640 0.012 0.000 0.193 469 D C 2.323 178.763 176.300 0.232 0.000 0.998 469 D CA 1.241 55.370 54.000 0.215 0.000 0.836 469 D CB -0.484 40.423 40.800 0.178 0.000 0.951 469 D HN 0.431 nan 8.370 nan 0.000 0.449 470 A N 1.377 124.293 122.820 0.160 0.000 1.859 470 A HA -0.184 4.143 4.320 0.012 0.000 0.217 470 A C 2.472 180.169 177.584 0.188 0.000 1.198 470 A CA 1.258 53.380 52.037 0.141 0.000 0.629 470 A CB -1.029 18.011 19.000 0.068 0.000 0.830 470 A HN 0.220 nan 8.150 nan 0.000 0.446 471 L N -2.009 119.301 121.223 0.145 0.000 2.131 471 L HA -0.207 4.140 4.340 0.012 0.000 0.210 471 L C 2.602 179.610 176.870 0.230 0.000 1.092 471 L CA 1.835 56.757 54.840 0.135 0.000 0.759 471 L CB -0.611 41.467 42.059 0.031 0.000 0.903 471 L HN 0.693 nan 8.230 nan 0.000 0.435 472 Y N 0.740 121.113 120.300 0.122 0.000 2.163 472 Y HA -0.258 4.298 4.550 0.009 0.000 0.288 472 Y C 2.786 178.761 175.900 0.124 0.000 1.136 472 Y CA 1.370 59.544 58.100 0.123 0.000 1.147 472 Y CB -0.081 38.447 38.460 0.113 0.000 0.987 472 Y HN -0.067 nan 8.280 nan 0.000 0.509 473 R N 0.210 120.908 120.500 0.329 0.000 2.120 473 R HA -0.195 4.152 4.340 0.012 0.000 0.234 473 R C 1.887 178.229 176.300 0.070 0.000 1.123 473 R CA 1.711 57.914 56.100 0.171 0.000 0.975 473 R CB -1.518 28.922 30.300 0.234 0.000 0.866 473 R HN 0.673 nan 8.270 nan 0.000 0.446 474 W N 0.563 121.839 121.300 -0.039 0.000 2.332 474 W HA -0.153 4.514 4.660 0.012 0.000 0.321 474 W C 1.793 178.231 176.519 -0.134 0.000 1.219 474 W CA 2.064 59.364 57.345 -0.075 0.000 1.277 474 W CB -0.462 28.953 29.460 -0.076 0.000 1.161 474 W HN 0.023 nan 8.180 nan 0.000 0.476 475 I N 0.864 121.502 120.570 0.113 0.000 2.113 475 I HA -0.421 3.756 4.170 0.012 0.000 0.242 475 I C 2.503 178.433 176.117 -0.312 0.000 1.064 475 I CA 1.599 62.799 61.300 -0.166 0.000 1.320 475 I CB -0.891 37.037 38.000 -0.119 0.000 1.028 475 I HN -0.047 nan 8.210 nan 0.000 0.406 476 K N 0.720 120.963 120.400 -0.262 0.000 2.089 476 K HA -0.177 4.150 4.320 0.012 0.000 0.210 476 K C 2.291 178.765 176.600 -0.210 0.000 1.048 476 K CA 1.523 57.664 56.287 -0.244 0.000 0.926 476 K CB -0.663 31.667 32.500 -0.282 0.000 0.714 476 K HN 0.250 nan 8.250 nan 0.000 0.448 477 S N 0.106 115.645 115.700 -0.269 0.000 2.345 477 S HA -0.065 4.412 4.470 0.012 0.000 0.219 477 S C 2.075 176.474 174.600 -0.336 0.000 1.031 477 S CA 1.141 59.176 58.200 -0.276 0.000 0.984 477 S CB -0.047 62.962 63.200 -0.319 0.000 0.874 477 S HN 0.036 nan 8.310 nan 0.000 0.451 478 V N 0.952 120.541 119.914 -0.542 0.000 2.591 478 V HA 0.011 4.138 4.120 0.012 0.000 0.249 478 V C 0.456 176.330 176.094 -0.366 0.000 1.053 478 V CA 1.215 63.167 62.300 -0.581 0.000 1.068 478 V CB -0.281 30.863 31.823 -1.133 0.000 0.689 478 V HN 0.394 nan 8.190 nan 0.000 0.462 479 D N -1.198 119.036 120.400 -0.277 0.000 2.330 479 D HA 0.272 4.919 4.640 0.012 0.000 0.249 479 D C -2.371 173.927 176.300 -0.003 0.000 1.306 479 D CA -1.482 52.466 54.000 -0.086 0.000 0.956 479 D CB 1.787 42.612 40.800 0.042 0.000 1.261 479 D HN 0.043 nan 8.370 nan 0.000 0.544 480 P HA 0.005 nan 4.420 nan 0.000 0.245 480 P C 1.322 178.645 177.300 0.037 0.000 1.206 480 P CA 0.276 63.373 63.100 -0.005 0.000 0.781 480 P CB 0.403 32.090 31.700 -0.021 0.000 0.994 481 S N -0.680 115.055 115.700 0.058 0.000 2.419 481 S HA -0.051 4.426 4.470 0.012 0.000 0.233 481 S C 0.928 175.564 174.600 0.059 0.000 1.016 481 S CA 0.664 58.903 58.200 0.065 0.000 0.974 481 S CB -0.258 62.978 63.200 0.060 0.000 0.786 481 S HN 0.046 nan 8.310 nan 0.000 0.492 482 R N 0.614 121.167 120.500 0.088 0.000 2.854 482 R HA 0.607 4.954 4.340 0.012 0.000 0.271 482 R C -3.058 173.305 176.300 0.104 0.000 0.994 482 R CA -2.314 53.812 56.100 0.044 0.000 0.945 482 R CB 1.508 31.734 30.300 -0.123 0.000 1.194 482 R HN 0.153 nan 8.270 nan 0.000 0.476 483 P HA 0.238 nan 4.420 nan 0.000 0.286 483 P C -0.876 176.505 177.300 0.135 0.000 1.261 483 P CA -0.541 62.607 63.100 0.081 0.000 0.821 483 P CB 1.160 32.893 31.700 0.055 0.000 1.013 484 V N 3.117 123.112 119.914 0.136 0.000 2.713 484 V HA 0.531 4.659 4.120 0.012 0.000 0.307 484 V C 0.287 176.516 176.094 0.224 0.000 1.052 484 V CA -0.278 62.142 62.300 0.199 0.000 0.967 484 V CB 1.315 33.215 31.823 0.127 0.000 1.019 484 V HN 0.674 nan 8.190 nan 0.000 0.459 485 Q N 3.028 122.959 119.800 0.218 0.000 2.418 485 Q HA 0.695 5.042 4.340 0.012 0.000 0.282 485 Q C -2.122 174.003 176.000 0.209 0.000 1.044 485 Q CA -0.866 55.038 55.803 0.168 0.000 0.813 485 Q CB 2.730 31.509 28.738 0.068 0.000 1.428 485 Q HN 0.680 nan 8.270 nan 0.000 0.402 486 Y N 0.775 121.071 120.300 -0.006 0.000 2.482 486 Y HA 0.233 4.789 4.550 0.010 0.000 0.334 486 Y C -0.424 175.399 175.900 -0.128 0.000 1.091 486 Y CA -0.744 57.316 58.100 -0.067 0.000 1.027 486 Y CB 2.284 40.695 38.460 -0.081 0.000 1.306 486 Y HN 0.922 nan 8.280 nan 0.000 0.446 487 E N 3.273 122.884 120.200 -0.983 0.000 2.340 487 E HA 0.151 4.508 4.350 0.012 0.000 0.194 487 E C 0.551 176.686 176.600 -0.776 0.000 0.996 487 E CA 0.681 56.661 56.400 -0.700 0.000 0.869 487 E CB 0.168 29.611 29.700 -0.428 0.000 0.835 487 E HN 0.898 nan 8.360 nan 0.000 0.493 488 G N 0.324 108.255 108.800 -1.449 0.000 2.368 488 G HA2 0.198 4.165 3.960 0.012 0.000 0.233 488 G HA3 0.198 4.165 3.960 0.012 0.000 0.233 488 G C 0.810 175.573 174.900 -0.228 0.000 1.267 488 G CA 0.376 45.080 45.100 -0.660 0.000 0.873 488 G HN 0.408 nan 8.290 nan 0.000 0.539 489 G N -0.086 108.674 108.800 -0.067 0.000 2.273 489 G HA2 0.233 4.200 3.960 0.012 0.000 0.280 489 G HA3 0.233 4.200 3.960 0.012 0.000 0.280 489 G C 1.228 176.141 174.900 0.021 0.000 1.047 489 G CA 1.062 46.186 45.100 0.041 0.000 0.869 489 G HN 2.571 nan 8.290 nan 0.000 0.502 490 G N -1.866 106.928 108.800 -0.010 0.000 2.367 490 G HA2 0.424 4.391 3.960 0.012 0.000 0.181 490 G HA3 0.424 4.391 3.960 0.012 0.000 0.181 490 G C 1.082 176.092 174.900 0.183 0.000 1.000 490 G CA 1.357 46.499 45.100 0.072 0.000 0.693 490 G HN 2.321 nan 8.290 nan 0.000 0.480 491 A N -0.134 122.705 122.820 0.032 0.000 3.413 491 A HA -0.107 4.220 4.320 0.012 0.000 0.268 491 A C 0.982 178.563 177.584 -0.006 0.000 1.128 491 A CA 2.742 54.765 52.037 -0.023 0.000 1.062 491 A CB -1.836 17.150 19.000 -0.022 0.000 1.121 491 A HN 2.149 nan 8.150 nan 0.000 0.895 492 D N -1.291 119.175 120.400 0.110 0.000 2.785 492 D HA 0.339 4.986 4.640 0.012 0.000 0.324 492 D C 0.357 176.683 176.300 0.044 0.000 1.523 492 D CA 0.736 54.797 54.000 0.102 0.000 0.789 492 D CB -1.087 39.907 40.800 0.322 0.000 1.171 492 D HN 0.757 nan 8.370 nan 0.000 0.447 493 T N -2.717 111.800 114.554 -0.061 0.000 2.652 493 T HA 0.186 4.543 4.350 0.012 0.000 0.319 493 T C 1.666 176.262 174.700 -0.173 0.000 1.029 493 T CA 0.531 62.539 62.100 -0.153 0.000 0.990 493 T CB 0.809 69.405 68.868 -0.453 0.000 1.098 493 T HN 0.140 nan 8.240 nan 0.000 0.520 494 T N -2.752 111.683 114.554 -0.198 0.000 3.055 494 T HA 0.187 4.545 4.350 0.012 0.000 0.265 494 T C 1.875 176.255 174.700 -0.533 0.000 1.111 494 T CA 0.404 62.361 62.100 -0.239 0.000 1.118 494 T CB -0.653 68.142 68.868 -0.122 0.000 0.909 494 T HN 0.806 nan 8.240 nan 0.000 0.501 495 A N 0.563 123.102 122.820 -0.469 0.000 2.261 495 A HA 0.406 4.733 4.320 0.012 0.000 0.208 495 A C 1.058 178.541 177.584 -0.168 0.000 1.223 495 A CA 0.272 52.029 52.037 -0.466 0.000 0.833 495 A CB -0.482 18.442 19.000 -0.127 0.000 0.830 495 A HN 0.507 nan 8.150 nan 0.000 0.483 496 T N -2.004 112.450 114.554 -0.167 0.000 2.909 496 T HA 0.429 4.786 4.350 0.012 0.000 0.299 496 T C -0.527 174.245 174.700 0.120 0.000 1.073 496 T CA -0.491 61.662 62.100 0.087 0.000 0.999 496 T CB 1.447 70.324 68.868 0.015 0.000 1.098 496 T HN 0.065 nan 8.240 nan 0.000 0.477 497 D N 2.101 122.619 120.400 0.196 0.000 2.366 497 D HA 0.338 4.985 4.640 0.012 0.000 0.205 497 D C 0.214 176.549 176.300 0.058 0.000 1.022 497 D CA 0.630 54.721 54.000 0.152 0.000 0.868 497 D CB 0.450 41.352 40.800 0.170 0.000 0.953 497 D HN 0.512 nan 8.370 nan 0.000 0.514 498 I N 0.794 121.377 120.570 0.022 0.000 2.647 498 I HA 0.268 4.445 4.170 0.012 0.000 0.295 498 I C -0.331 175.725 176.117 -0.102 0.000 1.078 498 I CA -0.934 60.342 61.300 -0.040 0.000 1.048 498 I CB 2.952 40.931 38.000 -0.035 0.000 1.239 498 I HN -0.332 nan 8.210 nan 0.000 0.421 499 I N 5.450 125.915 120.570 -0.176 0.000 2.471 499 I HA 0.049 4.226 4.170 0.012 0.000 0.294 499 I C 0.164 176.066 176.117 -0.358 0.000 1.123 499 I CA -0.026 61.075 61.300 -0.331 0.000 1.336 499 I CB -0.160 37.537 38.000 -0.505 0.000 1.430 499 I HN 0.633 nan 8.210 nan 0.000 0.533 500 C N 5.411 124.527 119.300 -0.307 0.000 3.094 500 C HA 0.506 4.973 4.460 0.012 0.000 0.262 500 C C -2.151 172.687 174.990 -0.254 0.000 1.459 500 C CA -2.408 56.462 59.018 -0.247 0.000 1.570 500 C CB -1.127 26.514 27.740 -0.165 0.000 2.056 500 C HN 0.389 nan 8.230 nan 0.000 0.499 501 P HA 0.257 nan 4.420 nan 0.000 0.273 501 P C -0.354 176.869 177.300 -0.129 0.000 1.250 501 P CA 0.186 63.172 63.100 -0.191 0.000 0.793 501 P CB 0.563 32.163 31.700 -0.167 0.000 1.011 502 M N 1.432 120.983 119.600 -0.082 0.000 2.142 502 M HA 0.362 4.850 4.480 0.012 0.000 0.299 502 M C -1.260 174.982 176.300 -0.097 0.000 0.960 502 M CA -0.503 54.652 55.300 -0.242 0.000 0.920 502 M CB 1.096 33.531 32.600 -0.275 0.000 1.541 502 M HN 0.425 nan 8.290 nan 0.000 0.429 503 Y N 0.383 120.841 120.300 0.264 0.000 4.457 503 Y HA -0.183 4.375 4.550 0.013 0.000 0.240 503 Y C 0.335 176.408 175.900 0.288 0.000 1.133 503 Y CA 0.508 58.776 58.100 0.279 0.000 2.074 503 Y CB -2.179 36.436 38.460 0.259 0.000 1.625 503 Y HN 0.933 nan 8.280 nan 0.000 0.704 504 A N 1.026 124.056 122.820 0.349 0.000 2.409 504 A HA 0.588 4.915 4.320 0.012 0.000 0.262 504 A C 0.605 178.408 177.584 0.366 0.000 1.113 504 A CA -0.451 51.803 52.037 0.361 0.000 0.790 504 A CB 0.314 19.551 19.000 0.395 0.000 1.046 504 A HN 0.376 nan 8.150 nan 0.000 0.496 505 R N 1.811 122.469 120.500 0.263 0.000 2.543 505 R HA 0.228 4.575 4.340 0.012 0.000 0.277 505 R C 1.264 177.564 176.300 -0.001 0.000 1.074 505 R CA -0.138 56.046 56.100 0.140 0.000 1.076 505 R CB 0.665 31.020 30.300 0.090 0.000 0.993 505 R HN 0.561 nan 8.270 nan 0.000 0.459 506 V N 1.884 121.642 119.914 -0.259 0.000 2.252 506 V HA -0.284 3.843 4.120 0.012 0.000 0.249 506 V C 1.061 177.055 176.094 -0.167 0.000 1.056 506 V CA 2.084 64.173 62.300 -0.351 0.000 1.022 506 V CB -0.241 31.251 31.823 -0.552 0.000 0.641 506 V HN 0.822 nan 8.190 nan 0.000 0.445 507 D N -1.759 118.573 120.400 -0.112 0.000 2.479 507 D HA 0.085 4.732 4.640 0.012 0.000 0.221 507 D C 0.904 177.200 176.300 -0.007 0.000 1.104 507 D CA 0.002 53.967 54.000 -0.059 0.000 0.849 507 D CB 0.712 41.476 40.800 -0.061 0.000 1.072 507 D HN 0.565 nan 8.370 nan 0.000 0.502 508 E N 1.910 122.114 120.200 0.007 0.000 2.197 508 E HA 0.133 4.490 4.350 0.012 0.000 0.281 508 E C -0.941 175.688 176.600 0.048 0.000 0.995 508 E CA -0.434 55.981 56.400 0.024 0.000 0.808 508 E CB 1.347 31.056 29.700 0.016 0.000 1.093 508 E HN -0.236 nan 8.360 nan 0.000 0.394 509 D N 3.665 124.094 120.400 0.048 0.000 2.256 509 D HA 0.136 4.783 4.640 0.012 0.000 0.250 509 D C -0.681 175.570 176.300 -0.081 0.000 1.093 509 D CA 0.028 54.070 54.000 0.071 0.000 0.882 509 D CB 1.307 42.211 40.800 0.173 0.000 1.185 509 D HN 0.409 nan 8.370 nan 0.000 0.437 510 Q N 2.227 121.887 119.800 -0.232 0.000 2.700 510 Q HA 0.268 4.615 4.340 0.012 0.000 0.249 510 Q C -2.297 173.142 176.000 -0.935 0.000 1.033 510 Q CA -1.630 53.825 55.803 -0.581 0.000 0.804 510 Q CB 2.078 30.497 28.738 -0.532 0.000 1.164 510 Q HN 0.151 nan 8.270 nan 0.000 0.500 511 P HA 0.023 nan 4.420 nan 0.000 0.252 511 P C -0.825 176.145 177.300 -0.550 0.000 1.727 511 P CA 0.009 62.750 63.100 -0.598 0.000 1.134 511 P CB -0.294 31.257 31.700 -0.249 0.000 1.876 512 F N 3.837 123.636 119.950 -0.251 0.000 2.399 512 F HA 0.346 4.880 4.527 0.011 0.000 0.313 512 F C -1.220 174.483 175.800 -0.161 0.000 1.202 512 F CA -2.153 55.749 58.000 -0.163 0.000 1.192 512 F CB -0.506 38.409 39.000 -0.142 0.000 1.256 512 F HN 0.153 nan 8.300 nan 0.000 0.558 513 P HA 0.321 nan 4.420 nan 0.000 0.282 513 P C 0.034 177.348 177.300 0.023 0.000 1.249 513 P CA 0.482 63.600 63.100 0.030 0.000 0.806 513 P CB 1.492 33.207 31.700 0.025 0.000 0.984 514 A N 2.392 125.212 122.820 -0.001 0.000 1.467 514 A HA -0.233 4.094 4.320 0.012 0.000 0.224 514 A C 0.594 178.166 177.584 -0.019 0.000 0.419 514 A CA 1.887 53.922 52.037 -0.003 0.000 1.100 514 A CB -2.731 16.268 19.000 -0.002 0.000 1.463 514 A HN 0.668 nan 8.150 nan 0.000 0.719 515 V N -2.565 117.333 119.914 -0.027 0.000 2.320 515 V HA 0.599 4.726 4.120 0.012 0.000 0.257 515 V C -2.615 173.448 176.094 -0.052 0.000 0.996 515 V CA -1.354 60.917 62.300 -0.049 0.000 0.928 515 V CB 0.673 32.472 31.823 -0.041 0.000 1.169 515 V HN 0.489 nan 8.190 nan 0.000 0.475 516 P HA 0.310 nan 4.420 nan 0.000 0.272 516 P C -0.581 176.344 177.300 -0.625 0.000 1.223 516 P CA -0.011 62.770 63.100 -0.532 0.000 0.784 516 P CB 0.947 31.787 31.700 -1.434 0.000 0.923 517 K N 2.194 122.353 120.400 -0.401 0.000 2.354 517 K HA 0.213 4.540 4.320 0.012 0.000 0.257 517 K C -0.494 175.896 176.600 -0.351 0.000 1.062 517 K CA -0.252 55.929 56.287 -0.177 0.000 0.971 517 K CB 0.452 33.123 32.500 0.285 0.000 1.305 517 K HN 0.472 nan 8.250 nan 0.000 0.449 518 W N 1.302 122.388 121.300 -0.356 0.000 2.141 518 W HA 0.104 4.772 4.660 0.013 0.000 0.354 518 W C 1.183 177.799 176.519 0.162 0.000 1.297 518 W CA -0.818 56.425 57.345 -0.169 0.000 1.380 518 W CB 0.302 29.560 29.460 -0.337 0.000 1.168 518 W HN 0.403 nan 8.180 nan 0.000 0.639 519 S N 1.316 117.238 115.700 0.370 0.000 2.558 519 S HA -0.028 4.449 4.470 0.012 0.000 0.288 519 S C 0.853 175.627 174.600 0.290 0.000 1.318 519 S CA -0.201 58.142 58.200 0.239 0.000 1.056 519 S CB 0.249 63.509 63.200 0.100 0.000 0.853 519 S HN 0.532 nan 8.310 nan 0.000 0.505 520 I N 0.598 121.281 120.570 0.189 0.000 2.264 520 I HA -0.117 4.060 4.170 0.012 0.000 0.248 520 I C 2.186 178.319 176.117 0.027 0.000 1.111 520 I CA 1.323 62.705 61.300 0.137 0.000 1.382 520 I CB -0.509 37.528 38.000 0.061 0.000 1.060 520 I HN 0.539 nan 8.210 nan 0.000 0.418 521 K N 1.565 121.887 120.400 -0.130 0.000 2.097 521 K HA -0.177 4.150 4.320 0.012 0.000 0.206 521 K C 2.144 178.752 176.600 0.013 0.000 1.049 521 K CA 2.067 58.207 56.287 -0.244 0.000 0.933 521 K CB -0.268 32.027 32.500 -0.343 0.000 0.717 521 K HN 0.621 nan 8.250 nan 0.000 0.442 522 K N -0.856 119.579 120.400 0.059 0.000 2.243 522 K HA -0.109 4.218 4.320 0.012 0.000 0.201 522 K C 1.831 178.485 176.600 0.089 0.000 1.051 522 K CA 0.452 56.768 56.287 0.049 0.000 0.970 522 K CB -0.190 32.296 32.500 -0.023 0.000 0.755 522 K HN 0.125 nan 8.250 nan 0.000 0.465 523 W N 2.407 123.704 121.300 -0.006 0.000 2.358 523 W HA -0.121 4.543 4.660 0.007 0.000 0.303 523 W C 1.466 177.986 176.519 0.002 0.000 1.208 523 W CA 1.187 58.548 57.345 0.027 0.000 1.274 523 W CB -0.560 29.008 29.460 0.180 0.000 1.138 523 W HN 0.085 nan 8.180 nan 0.000 0.515 524 L N 1.096 122.475 121.223 0.261 0.000 2.043 524 L HA -0.303 4.044 4.340 0.012 0.000 0.212 524 L C 2.701 179.645 176.870 0.122 0.000 1.075 524 L CA 2.267 57.198 54.840 0.152 0.000 0.752 524 L CB -1.528 40.602 42.059 0.118 0.000 0.891 524 L HN -0.006 nan 8.230 nan 0.000 0.432 525 S N -0.565 115.194 115.700 0.098 0.000 2.555 525 S HA 0.017 4.494 4.470 0.012 0.000 0.230 525 S C 0.856 175.454 174.600 -0.003 0.000 0.978 525 S CA -0.116 58.110 58.200 0.043 0.000 0.934 525 S CB -0.708 62.513 63.200 0.034 0.000 0.766 525 S HN 0.235 nan 8.310 nan 0.000 0.533 526 L N 3.027 124.246 121.223 -0.007 0.000 2.499 526 L HA 0.237 4.584 4.340 0.012 0.000 0.273 526 L C -2.054 174.800 176.870 -0.028 0.000 1.195 526 L CA -1.833 52.959 54.840 -0.080 0.000 0.882 526 L CB -0.109 41.873 42.059 -0.129 0.000 1.133 526 L HN 0.123 nan 8.230 nan 0.000 0.483 527 P HA -0.065 nan 4.420 nan 0.000 0.258 527 P C 0.852 178.153 177.300 0.001 0.000 1.172 527 P CA 1.085 64.171 63.100 -0.024 0.000 0.762 527 P CB 0.619 32.297 31.700 -0.036 0.000 0.764 528 G N 2.189 110.997 108.800 0.012 0.000 2.336 528 G HA2 -0.272 3.695 3.960 0.012 0.000 0.233 528 G HA3 -0.272 3.695 3.960 0.012 0.000 0.233 528 G C 0.282 175.207 174.900 0.042 0.000 1.053 528 G CA 0.225 45.340 45.100 0.026 0.000 0.625 528 G HN 0.681 nan 8.290 nan 0.000 0.511 529 E N 1.450 121.684 120.200 0.057 0.000 2.414 529 E HA 0.497 4.854 4.350 0.012 0.000 0.263 529 E C 1.453 178.089 176.600 0.060 0.000 1.000 529 E CA 1.295 57.744 56.400 0.083 0.000 0.914 529 E CB 0.785 30.572 29.700 0.144 0.000 0.948 529 E HN 0.783 nan 8.360 nan 0.000 0.444 530 T N 0.531 115.116 114.554 0.052 0.000 3.100 530 T HA 0.256 4.613 4.350 0.012 0.000 0.255 530 T C 0.685 175.400 174.700 0.024 0.000 0.893 530 T CA -0.416 61.706 62.100 0.036 0.000 0.882 530 T CB -0.103 68.784 68.868 0.031 0.000 1.266 530 T HN 0.308 nan 8.240 nan 0.000 0.528 531 R N 2.344 122.857 120.500 0.021 0.000 2.924 531 R HA 0.338 4.685 4.340 0.012 0.000 0.272 531 R C -2.464 173.823 176.300 -0.022 0.000 1.012 531 R CA -0.879 55.222 56.100 0.001 0.000 1.171 531 R CB -0.102 30.192 30.300 -0.009 0.000 1.086 531 R HN 0.303 nan 8.270 nan 0.000 0.489 532 P HA 0.169 nan 4.420 nan 0.000 0.281 532 P C -1.119 176.111 177.300 -0.116 0.000 1.264 532 P CA -0.280 62.782 63.100 -0.064 0.000 0.824 532 P CB 0.675 32.339 31.700 -0.060 0.000 1.092 533 L N 2.064 123.201 121.223 -0.143 0.000 2.349 533 L HA 0.567 4.914 4.340 0.012 0.000 0.278 533 L C -1.057 175.674 176.870 -0.231 0.000 0.996 533 L CA -0.687 54.026 54.840 -0.212 0.000 0.825 533 L CB 0.525 42.444 42.059 -0.234 0.000 1.243 533 L HN 0.240 nan 8.230 nan 0.000 0.412 534 I N 5.474 125.911 120.570 -0.222 0.000 2.500 534 I HA 0.250 4.427 4.170 0.012 0.000 0.286 534 I C -0.635 175.380 176.117 -0.170 0.000 1.063 534 I CA -0.491 60.683 61.300 -0.210 0.000 1.062 534 I CB 2.060 39.997 38.000 -0.106 0.000 1.223 534 I HN 0.453 nan 8.210 nan 0.000 0.435 535 L N 5.807 126.890 121.223 -0.232 0.000 2.500 535 L HA 0.005 4.352 4.340 0.012 0.000 0.272 535 L C 1.509 178.407 176.870 0.046 0.000 1.149 535 L CA -0.140 54.612 54.840 -0.147 0.000 0.897 535 L CB 0.433 42.358 42.059 -0.224 0.000 1.178 535 L HN 0.897 nan 8.230 nan 0.000 0.473 536 C N 0.763 120.056 119.300 -0.013 0.000 2.456 536 C HA 0.149 4.616 4.460 0.012 0.000 0.279 536 C C 0.751 175.818 174.990 0.128 0.000 1.427 536 C CA -0.177 58.855 59.018 0.024 0.000 1.778 536 C CB -0.967 26.718 27.740 -0.093 0.000 1.842 536 C HN 0.845 nan 8.230 nan 0.000 0.531 537 E N -1.075 119.150 120.200 0.043 0.000 2.347 537 E HA 0.599 4.957 4.350 0.012 0.000 0.285 537 E C -1.398 175.103 176.600 -0.164 0.000 0.925 537 E CA -0.443 55.955 56.400 -0.004 0.000 0.779 537 E CB 2.099 31.615 29.700 -0.306 0.000 1.233 537 E HN 0.624 nan 8.360 nan 0.000 0.414 538 Y N -0.112 120.136 120.300 -0.087 0.000 2.662 538 Y HA 0.577 5.135 4.550 0.014 0.000 0.334 538 Y C -0.929 175.136 175.900 0.275 0.000 1.185 538 Y CA -0.604 57.505 58.100 0.015 0.000 1.074 538 Y CB 0.826 39.165 38.460 -0.202 0.000 1.330 538 Y HN 0.682 nan 8.280 nan 0.000 0.458 539 A N 2.301 125.197 122.820 0.127 0.000 2.360 539 A HA -0.252 4.075 4.320 0.012 0.000 0.289 539 A C -0.551 177.181 177.584 0.248 0.000 1.437 539 A CA 0.996 53.097 52.037 0.107 0.000 0.734 539 A CB -2.453 16.503 19.000 -0.073 0.000 1.145 539 A HN 1.130 nan 8.150 nan 0.000 0.374 540 H N 0.661 119.910 119.070 0.299 0.000 3.138 540 H HA 0.295 4.858 4.556 0.012 0.000 0.275 540 H C 1.016 176.426 175.328 0.137 0.000 0.997 540 H CA 0.894 57.125 56.048 0.304 0.000 1.460 540 H CB 0.538 30.366 29.762 0.111 0.000 1.524 540 H HN 0.846 nan 8.280 nan 0.000 0.532 541 A N 6.888 129.616 122.820 -0.153 0.000 3.197 541 A HA 0.102 4.429 4.320 0.012 0.000 0.263 541 A C 0.671 178.134 177.584 -0.202 0.000 1.524 541 A CA -0.430 51.510 52.037 -0.162 0.000 1.176 541 A CB -0.510 18.381 19.000 -0.180 0.000 1.096 541 A HN 0.775 nan 8.150 nan 0.000 0.655 542 M N 1.849 121.343 119.600 -0.177 0.000 2.151 542 M HA 0.442 4.929 4.480 0.012 0.000 0.349 542 M C 0.931 177.094 176.300 -0.228 0.000 1.284 542 M CA 1.107 56.298 55.300 -0.182 0.000 1.173 542 M CB -0.256 32.282 32.600 -0.104 0.000 1.469 542 M HN 0.866 nan 8.290 nan 0.000 0.439 543 G N 4.215 112.866 108.800 -0.249 0.000 2.531 543 G HA2 -0.318 3.649 3.960 0.012 0.000 0.274 543 G HA3 -0.318 3.649 3.960 0.012 0.000 0.274 543 G C -0.143 174.309 174.900 -0.746 0.000 1.159 543 G CA -0.116 44.678 45.100 -0.510 0.000 0.969 543 G HN 0.754 nan 8.290 nan 0.000 0.554 544 N N 1.617 119.734 118.700 -0.970 0.000 2.549 544 N HA 0.483 5.230 4.740 0.012 0.000 0.267 544 N C -0.072 175.198 175.510 -0.400 0.000 1.182 544 N CA 1.120 53.740 53.050 -0.716 0.000 1.019 544 N CB 0.242 38.306 38.487 -0.705 0.000 1.380 544 N HN 0.733 nan 8.380 nan 0.000 0.505 545 S N 1.715 117.263 115.700 -0.254 0.000 2.851 545 S HA 0.651 5.129 4.470 0.012 0.000 0.317 545 S C 0.207 174.746 174.600 -0.101 0.000 1.144 545 S CA -0.414 57.690 58.200 -0.160 0.000 0.862 545 S CB 0.491 63.618 63.200 -0.122 0.000 1.259 545 S HN 0.423 nan 8.310 nan 0.000 0.564 546 L N 0.120 121.316 121.223 -0.046 0.000 4.696 546 L HA -0.064 4.284 4.340 0.012 0.000 0.398 546 L C 0.548 177.455 176.870 0.062 0.000 0.971 546 L CA 0.794 55.634 54.840 0.000 0.000 1.427 546 L CB -1.691 40.284 42.059 -0.139 0.000 1.965 546 L HN 0.750 nan 8.230 nan 0.000 0.593 547 G N -0.790 108.011 108.800 0.001 0.000 2.380 547 G HA2 0.446 4.413 3.960 0.012 0.000 0.242 547 G HA3 0.446 4.413 3.960 0.012 0.000 0.242 547 G C 1.267 176.188 174.900 0.036 0.000 1.298 547 G CA 0.172 45.246 45.100 -0.043 0.000 0.878 547 G HN 1.391 nan 8.290 nan 0.000 0.542 548 G N 1.489 110.297 108.800 0.013 0.000 2.176 548 G HA2 -0.326 3.641 3.960 0.012 0.000 0.253 548 G HA3 -0.326 3.641 3.960 0.012 0.000 0.253 548 G C 1.098 176.163 174.900 0.276 0.000 0.979 548 G CA 0.834 45.999 45.100 0.108 0.000 0.641 548 G HN 0.854 nan 8.290 nan 0.000 0.530 549 F N 1.952 122.020 119.950 0.196 0.000 2.154 549 F HA 0.098 4.633 4.527 0.013 0.000 0.301 549 F C 2.639 178.648 175.800 0.348 0.000 1.087 549 F CA 2.630 60.822 58.000 0.321 0.000 1.274 549 F CB -0.265 38.854 39.000 0.198 0.000 1.009 549 F HN 0.354 nan 8.300 nan 0.000 0.485 550 A N -0.493 122.504 122.820 0.295 0.000 1.968 550 A HA -0.162 4.165 4.320 0.012 0.000 0.217 550 A C 2.270 179.870 177.584 0.026 0.000 1.169 550 A CA 1.331 53.474 52.037 0.176 0.000 0.638 550 A CB -0.676 18.429 19.000 0.175 0.000 0.812 550 A HN 0.387 nan 8.150 nan 0.000 0.446 551 K N -1.461 118.938 120.400 -0.002 0.000 2.103 551 K HA -0.199 4.128 4.320 0.012 0.000 0.207 551 K C 1.676 178.057 176.600 -0.365 0.000 1.048 551 K CA 1.757 57.961 56.287 -0.138 0.000 0.930 551 K CB -0.290 32.133 32.500 -0.128 0.000 0.716 551 K HN 0.636 nan 8.250 nan 0.000 0.444 552 Y N -0.695 119.358 120.300 -0.412 0.000 2.089 552 Y HA -0.268 4.289 4.550 0.011 0.000 0.282 552 Y C 2.138 177.138 175.900 -1.502 0.000 1.139 552 Y CA 1.666 59.201 58.100 -0.942 0.000 1.123 552 Y CB -0.496 37.372 38.460 -0.986 0.000 0.980 552 Y HN 0.154 nan 8.280 nan 0.000 0.493 553 W N 0.667 121.517 121.300 -0.750 0.000 2.305 553 W HA -0.321 4.347 4.660 0.014 0.000 0.308 553 W C 2.707 179.003 176.519 -0.373 0.000 1.226 553 W CA 2.188 59.194 57.345 -0.564 0.000 1.253 553 W CB -1.016 28.252 29.460 -0.321 0.000 1.146 553 W HN 0.204 nan 8.180 nan 0.000 0.507 554 Q N 0.357 120.030 119.800 -0.211 0.000 2.062 554 Q HA -0.290 4.057 4.340 0.012 0.000 0.209 554 Q C 2.255 178.170 176.000 -0.141 0.000 0.996 554 Q CA 2.532 58.263 55.803 -0.121 0.000 0.859 554 Q CB -0.568 28.132 28.738 -0.063 0.000 0.920 554 Q HN 0.249 nan 8.270 nan 0.000 0.415 555 A N 0.303 122.950 122.820 -0.288 0.000 1.877 555 A HA -0.132 4.195 4.320 0.012 0.000 0.216 555 A C 1.890 179.418 177.584 -0.093 0.000 1.186 555 A CA 1.328 53.226 52.037 -0.232 0.000 0.620 555 A CB -1.106 17.637 19.000 -0.429 0.000 0.822 555 A HN 0.565 nan 8.150 nan 0.000 0.443 556 F N -0.347 119.407 119.950 -0.327 0.000 2.065 556 F HA -0.273 4.261 4.527 0.011 0.000 0.298 556 F C 2.798 178.490 175.800 -0.181 0.000 1.112 556 F CA 1.406 59.179 58.000 -0.377 0.000 1.212 556 F CB -0.307 38.230 39.000 -0.772 0.000 0.975 556 F HN 0.143 nan 8.300 nan 0.000 0.476 557 R N 0.124 120.662 120.500 0.062 0.000 2.091 557 R HA -0.233 4.114 4.340 0.012 0.000 0.238 557 R C 2.214 178.551 176.300 0.062 0.000 1.136 557 R CA 1.793 57.928 56.100 0.058 0.000 0.959 557 R CB -0.576 29.756 30.300 0.055 0.000 0.856 557 R HN 0.433 nan 8.270 nan 0.000 0.437 558 Q N -0.352 119.510 119.800 0.103 0.000 2.083 558 Q HA -0.090 4.257 4.340 0.012 0.000 0.198 558 Q C -0.367 175.711 176.000 0.131 0.000 0.969 558 Q CA 1.032 56.911 55.803 0.127 0.000 0.838 558 Q CB 0.289 29.138 28.738 0.185 0.000 0.900 558 Q HN 0.187 nan 8.270 nan 0.000 0.436 559 Y N 0.230 120.512 120.300 -0.031 0.000 2.341 559 Y HA 0.229 4.785 4.550 0.011 0.000 0.340 559 Y C -1.712 174.165 175.900 -0.038 0.000 0.997 559 Y CA -2.922 55.161 58.100 -0.029 0.000 1.149 559 Y CB 1.165 39.611 38.460 -0.023 0.000 1.171 559 Y HN 0.151 nan 8.280 nan 0.000 0.494 560 P HA -0.147 nan 4.420 nan 0.000 0.216 560 P C 1.219 178.525 177.300 0.009 0.000 1.150 560 P CA 1.713 64.820 63.100 0.012 0.000 0.837 560 P CB 0.342 32.029 31.700 -0.022 0.000 0.786 561 R N -1.234 119.290 120.500 0.041 0.000 2.240 561 R HA 0.122 4.469 4.340 0.012 0.000 0.203 561 R C 0.624 176.908 176.300 -0.028 0.000 1.011 561 R CA 0.070 56.175 56.100 0.009 0.000 1.007 561 R CB -0.390 29.926 30.300 0.026 0.000 0.911 561 R HN 0.219 nan 8.270 nan 0.000 0.468 562 L N 2.090 123.313 121.223 0.000 0.000 2.363 562 L HA 0.092 4.439 4.340 0.012 0.000 0.286 562 L C 0.493 177.248 176.870 -0.190 0.000 1.106 562 L CA 0.357 55.151 54.840 -0.076 0.000 0.859 562 L CB 0.941 43.019 42.059 0.033 0.000 1.223 562 L HN 0.122 nan 8.230 nan 0.000 0.446 563 Q N 3.159 122.768 119.800 -0.320 0.000 2.206 563 Q HA 0.308 4.655 4.340 0.012 0.000 0.265 563 Q C 0.627 176.292 176.000 -0.559 0.000 0.866 563 Q CA -0.052 55.542 55.803 -0.348 0.000 1.073 563 Q CB 1.299 29.910 28.738 -0.211 0.000 1.165 563 Q HN 0.944 nan 8.270 nan 0.000 0.465 564 G N -0.399 107.734 108.800 -1.111 0.000 2.582 564 G HA2 0.023 3.990 3.960 0.012 0.000 0.222 564 G HA3 0.023 3.990 3.960 0.012 0.000 0.222 564 G C -0.367 173.755 174.900 -1.296 0.000 1.311 564 G CA -0.730 43.447 45.100 -1.539 0.000 0.915 564 G HN 0.481 nan 8.290 nan 0.000 0.528 565 G N -2.178 106.054 108.800 -0.947 0.000 2.663 565 G HA2 0.771 4.739 3.960 0.012 0.000 0.299 565 G HA3 0.771 4.739 3.960 0.012 0.000 0.299 565 G C -1.817 173.008 174.900 -0.125 0.000 1.372 565 G CA -0.595 44.191 45.100 -0.524 0.000 0.781 565 G HN 1.011 nan 8.290 nan 0.000 0.491 566 F N 0.249 120.417 119.950 0.363 0.000 2.477 566 F HA 0.529 5.062 4.527 0.010 0.000 0.335 566 F C 0.416 176.531 175.800 0.525 0.000 1.130 566 F CA -0.736 57.521 58.000 0.428 0.000 0.948 566 F CB 2.373 41.524 39.000 0.251 0.000 1.154 566 F HN 0.214 nan 8.300 nan 0.000 0.439 567 V N 3.167 123.376 119.914 0.491 0.000 2.649 567 V HA 0.029 4.156 4.120 0.012 0.000 0.292 567 V C -0.488 175.762 176.094 0.261 0.000 1.055 567 V CA -0.606 61.819 62.300 0.210 0.000 1.023 567 V CB 1.266 33.179 31.823 0.151 0.000 0.992 567 V HN 0.745 nan 8.190 nan 0.000 0.480 568 W N 6.795 128.207 121.300 0.188 0.000 2.282 568 W HA 0.427 5.094 4.660 0.011 0.000 0.322 568 W C -0.720 175.808 176.519 0.015 0.000 1.011 568 W CA -0.487 56.993 57.345 0.224 0.000 1.392 568 W CB 1.165 30.932 29.460 0.512 0.000 1.215 568 W HN 0.894 nan 8.180 nan 0.000 0.394 569 D N 2.807 122.927 120.400 -0.466 0.000 2.752 569 D HA 0.058 4.705 4.640 0.012 0.000 0.313 569 D C 0.638 176.734 176.300 -0.340 0.000 1.225 569 D CA -0.570 52.998 54.000 -0.718 0.000 0.976 569 D CB 0.208 39.864 40.800 -1.908 0.000 1.443 569 D HN 0.438 nan 8.370 nan 0.000 0.515 570 W N 0.732 121.730 121.300 -0.505 0.000 2.354 570 W HA 0.056 4.724 4.660 0.012 0.000 0.315 570 W C -0.097 176.194 176.519 -0.379 0.000 1.206 570 W CA 1.081 58.185 57.345 -0.402 0.000 1.290 570 W CB 0.361 29.609 29.460 -0.353 0.000 1.152 570 W HN 0.147 nan 8.180 nan 0.000 0.489 571 V N 2.407 122.076 119.914 -0.409 0.000 2.789 571 V HA 0.224 4.351 4.120 0.012 0.000 0.311 571 V C -0.673 175.211 176.094 -0.350 0.000 1.073 571 V CA -0.949 61.044 62.300 -0.513 0.000 0.921 571 V CB 1.667 33.240 31.823 -0.416 0.000 1.009 571 V HN -0.079 nan 8.190 nan 0.000 0.426 572 D N 4.096 124.297 120.400 -0.332 0.000 2.472 572 D HA 0.066 4.713 4.640 0.012 0.000 0.237 572 D C 0.035 176.242 176.300 -0.155 0.000 1.141 572 D CA 0.465 54.352 54.000 -0.189 0.000 0.875 572 D CB 0.960 41.730 40.800 -0.050 0.000 1.192 572 D HN 0.584 nan 8.370 nan 0.000 0.450 573 Q N 0.879 120.524 119.800 -0.258 0.000 2.526 573 Q HA 0.108 4.455 4.340 0.012 0.000 0.353 573 Q C -0.378 175.631 176.000 0.015 0.000 0.977 573 Q CA -0.346 55.100 55.803 -0.595 0.000 1.027 573 Q CB 0.256 28.634 28.738 -0.600 0.000 1.272 573 Q HN 0.382 nan 8.270 nan 0.000 0.420 574 S N -0.320 115.526 115.700 0.243 0.000 2.586 574 S HA 0.538 5.015 4.470 0.012 0.000 0.274 574 S C -0.031 174.729 174.600 0.266 0.000 1.281 574 S CA -0.700 57.690 58.200 0.316 0.000 1.035 574 S CB 1.434 64.781 63.200 0.245 0.000 0.962 574 S HN 0.297 nan 8.310 nan 0.000 0.512 575 L N 2.188 123.486 121.223 0.126 0.000 2.334 575 L HA 0.468 4.815 4.340 0.012 0.000 0.276 575 L C -0.179 176.588 176.870 -0.171 0.000 1.014 575 L CA -1.103 53.678 54.840 -0.099 0.000 0.815 575 L CB 1.183 43.056 42.059 -0.309 0.000 1.268 575 L HN 0.547 nan 8.230 nan 0.000 0.428 576 I N 3.139 123.553 120.570 -0.260 0.000 2.505 576 I HA 0.103 4.280 4.170 0.012 0.000 0.287 576 I C 0.409 176.127 176.117 -0.665 0.000 1.104 576 I CA 0.414 61.443 61.300 -0.451 0.000 1.387 576 I CB 0.705 38.451 38.000 -0.422 0.000 1.404 576 I HN 0.621 nan 8.210 nan 0.000 0.528 577 K N 5.402 125.117 120.400 -1.142 0.000 2.267 577 K HA 0.551 4.878 4.320 0.012 0.000 0.236 577 K C -1.403 174.324 176.600 -1.455 0.000 1.030 577 K CA -0.471 54.973 56.287 -1.405 0.000 0.930 577 K CB 1.510 32.653 32.500 -2.261 0.000 1.182 577 K HN 0.254 nan 8.250 nan 0.000 0.474 578 Y N 0.301 120.309 120.300 -0.487 0.000 2.492 578 Y HA 0.151 4.708 4.550 0.012 0.000 0.346 578 Y C -0.153 175.902 175.900 0.259 0.000 0.997 578 Y CA -1.073 56.999 58.100 -0.047 0.000 1.025 578 Y CB 1.535 39.978 38.460 -0.028 0.000 1.263 578 Y HN 0.719 nan 8.280 nan 0.000 0.454 579 D N -0.034 120.661 120.400 0.493 0.000 2.507 579 D HA 0.132 4.779 4.640 0.012 0.000 0.280 579 D C 0.768 177.196 176.300 0.213 0.000 1.219 579 D CA -0.205 54.011 54.000 0.362 0.000 1.085 579 D CB 0.561 41.513 40.800 0.254 0.000 1.134 579 D HN 0.390 nan 8.370 nan 0.000 0.583 580 E N -0.230 120.046 120.200 0.127 0.000 2.012 580 E HA -0.146 4.212 4.350 0.012 0.000 0.197 580 E C 1.356 178.000 176.600 0.073 0.000 1.007 580 E CA 1.255 57.700 56.400 0.076 0.000 0.816 580 E CB -0.835 28.887 29.700 0.036 0.000 0.762 580 E HN 0.523 nan 8.360 nan 0.000 0.451 581 N N 0.470 119.213 118.700 0.072 0.000 2.678 581 N HA 0.022 4.769 4.740 0.012 0.000 0.199 581 N C 0.694 176.256 175.510 0.087 0.000 1.353 581 N CA 0.950 54.038 53.050 0.064 0.000 0.916 581 N CB -0.521 37.998 38.487 0.054 0.000 1.057 581 N HN 0.267 nan 8.380 nan 0.000 0.449 582 G N 0.337 109.207 108.800 0.117 0.000 2.323 582 G HA2 -0.295 3.672 3.960 0.012 0.000 0.292 582 G HA3 -0.295 3.672 3.960 0.012 0.000 0.292 582 G C -0.679 174.370 174.900 0.249 0.000 1.040 582 G CA -0.290 44.889 45.100 0.131 0.000 0.942 582 G HN 0.414 nan 8.290 nan 0.000 0.506 583 N N 0.923 119.812 118.700 0.315 0.000 2.430 583 N HA 0.532 5.279 4.740 0.012 0.000 0.292 583 N C -2.684 173.025 175.510 0.331 0.000 1.051 583 N CA -1.551 51.691 53.050 0.319 0.000 0.917 583 N CB 2.207 40.820 38.487 0.209 0.000 1.164 583 N HN 0.132 nan 8.380 nan 0.000 0.484 584 P HA 0.313 nan 4.420 nan 0.000 0.277 584 P C -0.478 176.763 177.300 -0.098 0.000 1.240 584 P CA -0.371 62.491 63.100 -0.396 0.000 0.798 584 P CB 0.717 32.188 31.700 -0.382 0.000 0.979 585 W N -1.185 119.896 121.300 -0.364 0.000 3.213 585 W HA 0.415 5.082 4.660 0.012 0.000 0.318 585 W C -1.612 174.708 176.519 -0.332 0.000 1.248 585 W CA -1.015 56.115 57.345 -0.357 0.000 1.187 585 W CB 0.357 29.487 29.460 -0.551 0.000 1.403 585 W HN 0.088 nan 8.180 nan 0.000 0.556 586 S N 1.892 117.609 115.700 0.029 0.000 2.400 586 S HA 0.518 4.995 4.470 0.012 0.000 0.295 586 S C 0.352 175.089 174.600 0.228 0.000 1.113 586 S CA -0.209 58.024 58.200 0.055 0.000 1.064 586 S CB 0.251 63.513 63.200 0.102 0.000 0.990 586 S HN 0.581 nan 8.310 nan 0.000 0.502 587 A N 3.404 126.220 122.820 -0.008 0.000 2.279 587 A HA 0.816 5.143 4.320 0.012 0.000 0.303 587 A C -0.465 177.344 177.584 0.376 0.000 1.108 587 A CA -0.510 51.584 52.037 0.095 0.000 0.830 587 A CB 0.370 19.171 19.000 -0.333 0.000 1.106 587 A HN 0.836 nan 8.150 nan 0.000 0.493 588 Y N -1.247 119.374 120.300 0.535 0.000 2.818 588 Y HA 0.715 5.273 4.550 0.012 0.000 0.322 588 Y C 0.504 176.777 175.900 0.621 0.000 1.323 588 Y CA -1.446 56.971 58.100 0.528 0.000 1.090 588 Y CB 0.029 38.637 38.460 0.246 0.000 1.328 588 Y HN 1.034 nan 8.280 nan 0.000 0.482 589 G N 0.195 109.445 108.800 0.750 0.000 2.238 589 G HA2 0.352 4.319 3.960 0.012 0.000 0.234 589 G HA3 0.352 4.319 3.960 0.012 0.000 0.234 589 G C 1.032 176.313 174.900 0.635 0.000 1.181 589 G CA 0.695 46.142 45.100 0.579 0.000 0.871 589 G HN 2.087 nan 8.290 nan 0.000 0.490 590 G N 2.022 111.138 108.800 0.527 0.000 2.284 590 G HA2 -0.317 3.650 3.960 0.012 0.000 0.247 590 G HA3 -0.317 3.650 3.960 0.012 0.000 0.247 590 G C 1.010 176.134 174.900 0.374 0.000 1.012 590 G CA 0.836 46.181 45.100 0.407 0.000 0.618 590 G HN 0.680 nan 8.290 nan 0.000 0.521 591 D N 0.019 120.653 120.400 0.390 0.000 2.354 591 D HA 0.025 4.672 4.640 0.012 0.000 0.216 591 D C 1.455 177.641 176.300 -0.190 0.000 0.970 591 D CA 0.809 54.868 54.000 0.098 0.000 0.905 591 D CB -0.250 40.551 40.800 0.000 0.000 0.903 591 D HN 0.511 nan 8.370 nan 0.000 0.508 592 F N -1.195 118.899 119.950 0.241 0.000 2.654 592 F HA 0.342 4.876 4.527 0.012 0.000 0.303 592 F C 1.901 177.798 175.800 0.163 0.000 1.099 592 F CA -0.019 58.080 58.000 0.165 0.000 1.270 592 F CB 0.754 39.836 39.000 0.137 0.000 1.024 592 F HN -0.022 nan 8.300 nan 0.000 0.548 593 G N 0.157 109.135 108.800 0.297 0.000 2.217 593 G HA2 -0.284 3.683 3.960 0.012 0.000 0.246 593 G HA3 -0.284 3.683 3.960 0.012 0.000 0.246 593 G C 0.064 175.112 174.900 0.246 0.000 0.990 593 G CA -0.004 45.231 45.100 0.224 0.000 0.627 593 G HN 0.453 nan 8.290 nan 0.000 0.522 594 D N 0.909 121.512 120.400 0.339 0.000 2.554 594 D HA 0.347 4.994 4.640 0.012 0.000 0.251 594 D C -0.075 176.363 176.300 0.229 0.000 1.213 594 D CA 1.525 55.716 54.000 0.318 0.000 0.900 594 D CB 0.824 41.892 40.800 0.446 0.000 1.135 594 D HN 0.380 nan 8.370 nan 0.000 0.522 595 T N 2.623 117.277 114.554 0.167 0.000 3.193 595 T HA 0.365 4.722 4.350 0.012 0.000 0.332 595 T C -2.786 171.963 174.700 0.082 0.000 1.208 595 T CA -1.158 61.008 62.100 0.109 0.000 1.080 595 T CB 1.478 70.410 68.868 0.107 0.000 1.180 595 T HN 0.332 nan 8.240 nan 0.000 0.469 596 P HA 0.450 nan 4.420 nan 0.000 0.274 596 P C -1.010 176.275 177.300 -0.026 0.000 1.237 596 P CA -0.341 62.759 63.100 -0.000 0.000 0.793 596 P CB 0.514 32.184 31.700 -0.049 0.000 0.977 597 N N -1.557 117.123 118.700 -0.033 0.000 2.525 597 N HA 0.269 5.016 4.740 0.012 0.000 0.270 597 N C -0.849 174.601 175.510 -0.100 0.000 1.321 597 N CA -0.780 52.221 53.050 -0.083 0.000 0.797 597 N CB 1.057 39.600 38.487 0.093 0.000 1.529 597 N HN 0.116 nan 8.380 nan 0.000 0.491 598 D N -0.180 120.118 120.400 -0.170 0.000 2.559 598 D HA 0.161 4.808 4.640 0.012 0.000 0.234 598 D C 0.109 176.566 176.300 0.262 0.000 1.226 598 D CA -0.046 53.936 54.000 -0.030 0.000 0.830 598 D CB 0.253 40.917 40.800 -0.226 0.000 1.028 598 D HN 0.685 nan 8.370 nan 0.000 0.492 599 R N 0.586 121.256 120.500 0.283 0.000 3.835 599 R HA -0.295 4.052 4.340 0.012 0.000 0.455 599 R C 1.262 177.543 176.300 -0.031 0.000 0.241 599 R CA 1.330 57.583 56.100 0.254 0.000 1.439 599 R CB -1.612 28.757 30.300 0.114 0.000 0.987 599 R HN 0.081 nan 8.270 nan 0.000 0.570 600 Q N 1.809 121.216 119.800 -0.655 0.000 2.541 600 Q HA -0.044 4.303 4.340 0.012 0.000 0.215 600 Q C 1.432 177.141 176.000 -0.486 0.000 0.977 600 Q CA 1.584 56.838 55.803 -0.916 0.000 0.934 600 Q CB -0.100 27.930 28.738 -1.181 0.000 0.988 600 Q HN 0.618 nan 8.270 nan 0.000 0.521 601 F N 1.276 121.118 119.950 -0.180 0.000 2.641 601 F HA -0.094 4.440 4.527 0.012 0.000 0.298 601 F C 2.232 177.970 175.800 -0.104 0.000 1.146 601 F CA 0.992 58.967 58.000 -0.042 0.000 1.464 601 F CB -0.083 38.947 39.000 0.050 0.000 1.101 601 F HN 0.433 nan 8.300 nan 0.000 0.585 602 C N -1.113 117.962 119.300 -0.375 0.000 2.594 602 C HA 0.240 4.707 4.460 0.012 0.000 0.265 602 C C 1.008 175.789 174.990 -0.349 0.000 1.351 602 C CA -0.543 58.009 59.018 -0.777 0.000 1.744 602 C CB -1.540 25.081 27.740 -1.865 0.000 1.890 602 C HN 0.161 nan 8.230 nan 0.000 0.551 603 M N 2.615 122.077 119.600 -0.229 0.000 2.080 603 M HA 0.317 4.804 4.480 0.012 0.000 0.350 603 M C -0.454 175.758 176.300 -0.148 0.000 1.143 603 M CA 0.349 55.553 55.300 -0.161 0.000 1.064 603 M CB -0.086 32.460 32.600 -0.090 0.000 1.429 603 M HN 0.299 nan 8.290 nan 0.000 0.418 604 N N 0.970 119.578 118.700 -0.154 0.000 2.184 604 N HA 0.204 4.951 4.740 0.012 0.000 0.234 604 N C 0.349 175.665 175.510 -0.323 0.000 1.282 604 N CA -0.521 52.412 53.050 -0.195 0.000 0.877 604 N CB 1.247 39.762 38.487 0.046 0.000 1.184 604 N HN 0.716 nan 8.380 nan 0.000 0.510 605 G N -0.077 108.495 108.800 -0.381 0.000 2.477 605 G HA2 0.360 4.327 3.960 0.012 0.000 0.304 605 G HA3 0.360 4.327 3.960 0.012 0.000 0.304 605 G C 0.673 175.141 174.900 -0.721 0.000 1.175 605 G CA -0.564 44.221 45.100 -0.526 0.000 0.907 605 G HN 0.090 nan 8.290 nan 0.000 0.509 606 L N -0.141 120.670 121.223 -0.687 0.000 2.376 606 L HA 0.084 4.431 4.340 0.012 0.000 0.219 606 L C 0.960 177.268 176.870 -0.936 0.000 1.133 606 L CA 0.511 54.959 54.840 -0.653 0.000 0.816 606 L CB -0.358 41.454 42.059 -0.412 0.000 0.933 606 L HN 0.419 nan 8.230 nan 0.000 0.449 607 V N -5.895 113.287 119.914 -1.220 0.000 3.167 607 V HA 0.467 4.594 4.120 0.012 0.000 0.310 607 V C -0.414 175.038 176.094 -1.070 0.000 1.207 607 V CA -1.319 60.366 62.300 -1.025 0.000 1.059 607 V CB 1.625 32.928 31.823 -0.865 0.000 1.079 607 V HN -0.178 nan 8.190 nan 0.000 0.446 608 F N 0.488 120.256 119.950 -0.304 0.000 2.380 608 F HA 0.642 5.177 4.527 0.012 0.000 0.325 608 F C 1.776 177.467 175.800 -0.182 0.000 1.136 608 F CA 0.401 58.359 58.000 -0.069 0.000 1.171 608 F CB 1.351 40.356 39.000 0.009 0.000 1.230 608 F HN 0.755 nan 8.300 nan 0.000 0.554 609 A N 0.588 123.472 122.820 0.106 0.000 2.125 609 A HA -0.181 4.146 4.320 0.012 0.000 0.219 609 A C 1.441 178.967 177.584 -0.096 0.000 1.156 609 A CA 1.694 53.728 52.037 -0.004 0.000 0.671 609 A CB -1.086 17.954 19.000 0.066 0.000 0.794 609 A HN 0.826 nan 8.150 nan 0.000 0.459 610 D N -3.030 117.354 120.400 -0.027 0.000 2.339 610 D HA 0.186 4.833 4.640 0.012 0.000 0.217 610 D C 0.567 176.837 176.300 -0.049 0.000 1.050 610 D CA -0.159 53.799 54.000 -0.069 0.000 0.856 610 D CB -0.068 40.699 40.800 -0.055 0.000 0.922 610 D HN 0.135 nan 8.370 nan 0.000 0.518 611 R N -0.731 119.735 120.500 -0.056 0.000 3.407 611 R HA -0.111 4.236 4.340 0.012 0.000 0.277 611 R C -0.776 175.508 176.300 -0.026 0.000 1.119 611 R CA 1.065 57.116 56.100 -0.081 0.000 0.750 611 R CB -3.075 27.203 30.300 -0.036 0.000 1.258 611 R HN 0.523 nan 8.270 nan 0.000 0.432 612 T N -1.812 112.773 114.554 0.051 0.000 2.809 612 T HA 0.671 5.028 4.350 0.012 0.000 0.284 612 T C -2.495 172.343 174.700 0.231 0.000 0.992 612 T CA -2.363 59.809 62.100 0.121 0.000 0.957 612 T CB 2.321 71.230 68.868 0.068 0.000 0.942 612 T HN -0.101 nan 8.240 nan 0.000 0.439 613 P HA 0.070 nan 4.420 nan 0.000 0.265 613 P C -0.181 177.204 177.300 0.142 0.000 1.187 613 P CA 0.047 63.146 63.100 -0.001 0.000 0.766 613 P CB 0.259 31.957 31.700 -0.003 0.000 0.820 614 H N 3.741 122.655 119.070 -0.260 0.000 2.547 614 H HA 0.118 4.681 4.556 0.012 0.000 0.362 614 H C -1.020 174.225 175.328 -0.138 0.000 1.181 614 H CA -1.968 53.916 56.048 -0.273 0.000 1.376 614 H CB 0.628 30.162 29.762 -0.380 0.000 1.488 614 H HN 0.348 nan 8.280 nan 0.000 0.583 615 P HA -0.105 nan 4.420 nan 0.000 0.228 615 P C 0.946 178.242 177.300 -0.007 0.000 1.151 615 P CA 0.890 63.981 63.100 -0.015 0.000 0.770 615 P CB -0.018 31.659 31.700 -0.040 0.000 0.786 616 A N -0.139 122.679 122.820 -0.003 0.000 2.015 616 A HA -0.112 4.215 4.320 0.012 0.000 0.219 616 A C 2.060 179.578 177.584 -0.110 0.000 1.163 616 A CA 0.774 52.771 52.037 -0.067 0.000 0.646 616 A CB -1.523 17.417 19.000 -0.100 0.000 0.806 616 A HN 0.138 nan 8.150 nan 0.000 0.448 617 L N 0.062 121.243 121.223 -0.069 0.000 2.189 617 L HA -0.178 4.169 4.340 0.012 0.000 0.214 617 L C 2.426 179.315 176.870 0.032 0.000 1.097 617 L CA 2.471 57.301 54.840 -0.017 0.000 0.764 617 L CB -0.523 41.540 42.059 0.006 0.000 0.900 617 L HN 0.446 nan 8.230 nan 0.000 0.436 618 T N -2.230 112.350 114.554 0.043 0.000 2.937 618 T HA -0.108 4.249 4.350 0.012 0.000 0.260 618 T C 1.683 176.456 174.700 0.121 0.000 1.051 618 T CA 0.893 63.074 62.100 0.136 0.000 1.141 618 T CB -0.068 68.869 68.868 0.116 0.000 0.879 618 T HN 0.202 nan 8.240 nan 0.000 0.459 619 E N 2.014 122.225 120.200 0.019 0.000 2.058 619 E HA -0.103 4.254 4.350 0.012 0.000 0.194 619 E C 2.217 178.796 176.600 -0.035 0.000 0.997 619 E CA 1.496 57.909 56.400 0.021 0.000 0.801 619 E CB -0.658 29.011 29.700 -0.053 0.000 0.746 619 E HN 0.439 nan 8.360 nan 0.000 0.450 620 A N 1.152 123.814 122.820 -0.263 0.000 1.842 620 A HA -0.293 4.034 4.320 0.012 0.000 0.217 620 A C 2.194 179.638 177.584 -0.233 0.000 1.206 620 A CA 2.223 54.032 52.037 -0.381 0.000 0.630 620 A CB -0.865 17.909 19.000 -0.376 0.000 0.839 620 A HN 0.275 nan 8.150 nan 0.000 0.447 621 K N -1.656 118.685 120.400 -0.098 0.000 2.127 621 K HA -0.331 3.996 4.320 0.012 0.000 0.212 621 K C 2.051 178.543 176.600 -0.181 0.000 1.050 621 K CA 2.367 58.628 56.287 -0.044 0.000 0.929 621 K CB -0.330 32.290 32.500 0.200 0.000 0.715 621 K HN 0.721 nan 8.250 nan 0.000 0.457 622 H N 0.257 119.128 119.070 -0.332 0.000 2.333 622 H HA 0.017 4.581 4.556 0.012 0.000 0.302 622 H C 1.959 177.026 175.328 -0.434 0.000 1.075 622 H CA 1.519 57.224 56.048 -0.572 0.000 1.348 622 H CB 0.058 29.563 29.762 -0.428 0.000 1.393 622 H HN 0.168 nan 8.280 nan 0.000 0.509 623 Q N 0.261 119.834 119.800 -0.378 0.000 2.291 623 Q HA -0.085 4.262 4.340 0.012 0.000 0.205 623 Q C 1.532 176.998 176.000 -0.891 0.000 0.970 623 Q CA 1.112 56.620 55.803 -0.491 0.000 0.876 623 Q CB 0.058 28.693 28.738 -0.170 0.000 0.935 623 Q HN 0.690 nan 8.270 nan 0.000 0.455 624 Q N -0.030 119.215 119.800 -0.925 0.000 2.319 624 Q HA 0.080 4.427 4.340 0.012 0.000 0.202 624 Q C -0.119 175.313 176.000 -0.947 0.000 0.896 624 Q CA -0.213 54.917 55.803 -1.122 0.000 0.942 624 Q CB 0.482 28.603 28.738 -1.029 0.000 1.083 624 Q HN 0.437 nan 8.270 nan 0.000 0.510 625 Q N -0.269 119.115 119.800 -0.694 0.000 2.414 625 Q HA -0.063 4.284 4.340 0.012 0.000 0.288 625 Q C -0.086 175.475 176.000 -0.733 0.000 1.086 625 Q CA 0.423 55.911 55.803 -0.525 0.000 0.943 625 Q CB 0.377 28.929 28.738 -0.310 0.000 1.282 625 Q HN 0.257 nan 8.270 nan 0.000 0.438 626 F N 0.072 119.737 119.950 -0.475 0.000 2.765 626 F HA 0.218 4.752 4.527 0.011 0.000 0.302 626 F C -0.055 175.100 175.800 -1.075 0.000 1.111 626 F CA 0.033 57.499 58.000 -0.890 0.000 1.359 626 F CB 0.415 38.493 39.000 -1.537 0.000 1.097 626 F HN 0.296 nan 8.300 nan 0.000 0.577 627 F N 0.569 120.446 119.950 -0.120 0.000 2.529 627 F HA 0.496 5.031 4.527 0.013 0.000 0.320 627 F C -0.266 175.187 175.800 -0.577 0.000 1.118 627 F CA -1.013 56.812 58.000 -0.291 0.000 0.915 627 F CB 1.463 40.348 39.000 -0.191 0.000 1.161 627 F HN -0.298 nan 8.300 nan 0.000 0.445 628 Q N 3.852 123.356 119.800 -0.493 0.000 2.356 628 Q HA 0.479 4.826 4.340 0.012 0.000 0.270 628 Q C -1.449 174.236 176.000 -0.526 0.000 1.058 628 Q CA -0.674 54.845 55.803 -0.473 0.000 0.802 628 Q CB 3.109 31.733 28.738 -0.190 0.000 1.303 628 Q HN 0.509 nan 8.270 nan 0.000 0.444 629 F N 0.515 120.593 119.950 0.214 0.000 2.492 629 F HA 0.630 5.165 4.527 0.013 0.000 0.327 629 F C 0.503 176.544 175.800 0.401 0.000 1.079 629 F CA -0.841 57.371 58.000 0.353 0.000 0.967 629 F CB 1.691 41.050 39.000 0.598 0.000 1.169 629 F HN 0.148 nan 8.300 nan 0.000 0.472 630 R N 1.711 122.532 120.500 0.535 0.000 2.628 630 R HA 0.650 4.997 4.340 0.012 0.000 0.288 630 R C -1.966 174.443 176.300 0.182 0.000 0.980 630 R CA -1.145 55.179 56.100 0.374 0.000 0.891 630 R CB 2.559 32.978 30.300 0.197 0.000 1.188 630 R HN 0.583 nan 8.270 nan 0.000 0.450 631 L N 1.431 122.674 121.223 0.034 0.000 2.322 631 L HA 0.506 4.853 4.340 0.012 0.000 0.281 631 L C -1.010 175.763 176.870 -0.160 0.000 1.014 631 L CA 0.063 54.709 54.840 -0.323 0.000 0.815 631 L CB 2.113 43.615 42.059 -0.928 0.000 1.247 631 L HN 0.528 nan 8.230 nan 0.000 0.421 632 S N 3.989 119.594 115.700 -0.159 0.000 2.216 632 S HA 0.661 5.138 4.470 0.012 0.000 0.156 632 S C 0.502 175.036 174.600 -0.110 0.000 1.665 632 S CA -0.161 57.980 58.200 -0.097 0.000 1.262 632 S CB 0.661 63.830 63.200 -0.051 0.000 1.207 632 S HN 1.337 nan 8.310 nan 0.000 0.427 633 G N 3.383 112.109 108.800 -0.124 0.000 3.487 633 G HA2 -0.350 3.617 3.960 0.012 0.000 0.295 633 G HA3 -0.350 3.617 3.960 0.012 0.000 0.295 633 G C 0.577 175.385 174.900 -0.153 0.000 1.454 633 G CA 0.529 45.561 45.100 -0.113 0.000 1.039 633 G HN 0.722 nan 8.290 nan 0.000 0.624 634 Q N -0.367 119.344 119.800 -0.148 0.000 2.171 634 Q HA 0.471 4.818 4.340 0.012 0.000 0.218 634 Q C 0.317 176.194 176.000 -0.206 0.000 0.822 634 Q CA 0.658 56.349 55.803 -0.188 0.000 0.987 634 Q CB 0.705 29.340 28.738 -0.172 0.000 1.144 634 Q HN 0.419 nan 8.270 nan 0.000 0.494 635 T N 1.858 116.310 114.554 -0.170 0.000 2.771 635 T HA 0.486 4.843 4.350 0.012 0.000 0.291 635 T C -0.568 174.029 174.700 -0.172 0.000 0.954 635 T CA -0.273 61.740 62.100 -0.145 0.000 1.045 635 T CB 0.567 69.380 68.868 -0.092 0.000 0.917 635 T HN 0.214 nan 8.240 nan 0.000 0.484 636 I N 3.594 124.074 120.570 -0.151 0.000 2.362 636 I HA 0.335 4.512 4.170 0.012 0.000 0.289 636 I C 0.333 176.457 176.117 0.011 0.000 0.994 636 I CA -0.682 60.548 61.300 -0.117 0.000 1.158 636 I CB 1.468 39.385 38.000 -0.137 0.000 1.315 636 I HN 0.527 nan 8.210 nan 0.000 0.451 637 E N 6.836 127.079 120.200 0.072 0.000 2.191 637 E HA 0.447 4.804 4.350 0.012 0.000 0.278 637 E C -1.636 175.064 176.600 0.166 0.000 0.972 637 E CA -0.523 55.935 56.400 0.097 0.000 0.804 637 E CB 2.104 31.845 29.700 0.068 0.000 1.110 637 E HN 0.306 nan 8.360 nan 0.000 0.394 638 V N 3.682 123.668 119.914 0.120 0.000 2.459 638 V HA 0.311 4.439 4.120 0.012 0.000 0.295 638 V C -0.110 176.011 176.094 0.045 0.000 1.029 638 V CA -0.524 61.827 62.300 0.085 0.000 0.874 638 V CB 1.887 33.786 31.823 0.127 0.000 0.985 638 V HN 0.719 nan 8.190 nan 0.000 0.438 639 T N 3.275 117.819 114.554 -0.017 0.000 2.809 639 T HA 0.265 4.622 4.350 0.012 0.000 0.284 639 T C -0.129 174.602 174.700 0.052 0.000 0.992 639 T CA -0.114 61.992 62.100 0.010 0.000 0.957 639 T CB 1.353 70.202 68.868 -0.032 0.000 0.942 639 T HN 0.643 nan 8.240 nan 0.000 0.439 640 S N 2.485 118.232 115.700 0.079 0.000 2.474 640 S HA 0.183 4.660 4.470 0.012 0.000 0.276 640 S C 1.021 175.566 174.600 -0.092 0.000 1.227 640 S CA -0.358 57.852 58.200 0.018 0.000 1.050 640 S CB 0.460 63.727 63.200 0.111 0.000 0.939 640 S HN 0.750 nan 8.310 nan 0.000 0.490 641 E N 3.305 123.364 120.200 -0.235 0.000 2.481 641 E HA 0.077 4.434 4.350 0.012 0.000 0.198 641 E C -0.699 175.791 176.600 -0.183 0.000 1.027 641 E CA -0.060 56.211 56.400 -0.215 0.000 0.900 641 E CB 0.346 29.879 29.700 -0.278 0.000 0.993 641 E HN 0.712 nan 8.360 nan 0.000 0.482 642 Y N 0.468 120.689 120.300 -0.133 0.000 2.411 642 Y HA -0.008 4.549 4.550 0.012 0.000 0.333 642 Y C 1.455 177.225 175.900 -0.216 0.000 1.186 642 Y CA 0.067 58.063 58.100 -0.174 0.000 1.381 642 Y CB 0.772 39.100 38.460 -0.219 0.000 1.273 642 Y HN -0.051 nan 8.280 nan 0.000 0.546 643 L N 1.229 122.329 121.223 -0.204 0.000 2.202 643 L HA -0.033 4.314 4.340 0.012 0.000 0.205 643 L C 0.837 177.376 176.870 -0.552 0.000 1.083 643 L CA 1.161 55.646 54.840 -0.591 0.000 0.790 643 L CB -0.090 41.170 42.059 -1.331 0.000 0.942 643 L HN 0.682 nan 8.230 nan 0.000 0.452 644 F N -0.860 119.105 119.950 0.025 0.000 2.747 644 F HA 0.187 4.720 4.527 0.011 0.000 0.305 644 F C 1.258 177.047 175.800 -0.020 0.000 1.065 644 F CA -0.762 57.228 58.000 -0.016 0.000 1.230 644 F CB 0.312 39.278 39.000 -0.057 0.000 1.027 644 F HN -0.101 nan 8.300 nan 0.000 0.607 645 R N 0.096 120.668 120.500 0.120 0.000 2.598 645 R HA 0.433 4.780 4.340 0.012 0.000 0.279 645 R C -1.109 175.171 176.300 -0.032 0.000 0.984 645 R CA -0.593 55.499 56.100 -0.013 0.000 0.999 645 R CB 0.766 30.971 30.300 -0.159 0.000 1.114 645 R HN 0.032 nan 8.270 nan 0.000 0.493 646 H N 0.854 119.887 119.070 -0.062 0.000 2.525 646 H HA 0.114 4.676 4.556 0.011 0.000 0.339 646 H C 0.059 175.382 175.328 -0.008 0.000 1.109 646 H CA 0.298 56.340 56.048 -0.010 0.000 1.352 646 H CB 1.234 31.002 29.762 0.010 0.000 1.461 646 H HN 0.791 nan 8.280 nan 0.000 0.533 647 S N 2.395 117.952 115.700 -0.237 0.000 3.797 647 S HA -0.095 4.382 4.470 0.012 0.000 0.187 647 S C 0.317 174.966 174.600 0.082 0.000 1.165 647 S CA 0.014 58.221 58.200 0.011 0.000 1.013 647 S CB -0.848 62.361 63.200 0.016 0.000 1.456 647 S HN 0.722 nan 8.310 nan 0.000 0.442 648 D N 0.222 120.689 120.400 0.113 0.000 2.319 648 D HA 0.032 4.679 4.640 0.012 0.000 0.230 648 D C 0.370 176.708 176.300 0.063 0.000 1.094 648 D CA -0.185 53.884 54.000 0.116 0.000 0.856 648 D CB -0.301 40.578 40.800 0.132 0.000 0.915 648 D HN 0.439 nan 8.370 nan 0.000 0.517 649 N N 0.098 118.833 118.700 0.058 0.000 2.636 649 N HA 0.150 4.897 4.740 0.012 0.000 0.287 649 N C -1.535 174.012 175.510 0.062 0.000 1.817 649 N CA -0.180 52.898 53.050 0.047 0.000 0.842 649 N CB 0.284 38.788 38.487 0.028 0.000 1.353 649 N HN -0.001 nan 8.380 nan 0.000 0.500 650 E N -0.037 120.195 120.200 0.052 0.000 2.352 650 E HA 0.570 4.928 4.350 0.012 0.000 0.280 650 E C -1.478 175.132 176.600 0.017 0.000 0.930 650 E CA -0.729 55.688 56.400 0.029 0.000 0.765 650 E CB 2.299 31.996 29.700 -0.005 0.000 1.219 650 E HN 0.289 nan 8.360 nan 0.000 0.434 651 L N 0.477 121.705 121.223 0.009 0.000 2.482 651 L HA 0.699 5.046 4.340 0.012 0.000 0.263 651 L C -1.866 175.025 176.870 0.036 0.000 0.957 651 L CA -1.143 53.728 54.840 0.051 0.000 0.836 651 L CB 1.335 43.462 42.059 0.114 0.000 1.324 651 L HN 0.499 nan 8.230 nan 0.000 0.406 652 L N 2.935 124.234 121.223 0.126 0.000 2.275 652 L HA 0.633 4.980 4.340 0.012 0.000 0.288 652 L C -0.913 176.176 176.870 0.365 0.000 1.046 652 L CA 0.477 55.420 54.840 0.173 0.000 0.805 652 L CB 0.478 42.646 42.059 0.182 0.000 1.193 652 L HN 0.654 nan 8.230 nan 0.000 0.426 653 H N 5.225 124.381 119.070 0.143 0.000 2.472 653 H HA 0.596 5.159 4.556 0.012 0.000 0.338 653 H C -0.858 174.572 175.328 0.171 0.000 1.133 653 H CA -0.665 55.437 56.048 0.089 0.000 1.216 653 H CB 1.006 30.766 29.762 -0.002 0.000 1.497 653 H HN 0.764 nan 8.280 nan 0.000 0.500 654 W N 3.601 124.990 121.300 0.148 0.000 3.029 654 W HA 0.684 5.351 4.660 0.012 0.000 0.339 654 W C -1.528 175.034 176.519 0.072 0.000 1.198 654 W CA -1.139 56.268 57.345 0.102 0.000 1.148 654 W CB 2.000 31.503 29.460 0.073 0.000 1.451 654 W HN 0.572 nan 8.180 nan 0.000 0.564 655 M N 2.121 121.936 119.600 0.359 0.000 2.755 655 M HA 0.458 4.945 4.480 0.012 0.000 0.276 655 M C -2.596 173.886 176.300 0.303 0.000 1.129 655 M CA -0.333 55.022 55.300 0.093 0.000 0.832 655 M CB 1.688 34.148 32.600 -0.233 0.000 1.700 655 M HN 0.295 nan 8.290 nan 0.000 0.518 656 V N 2.051 122.112 119.914 0.244 0.000 2.630 656 V HA 1.020 5.147 4.120 0.012 0.000 0.305 656 V C -0.262 175.914 176.094 0.137 0.000 1.046 656 V CA 0.076 62.516 62.300 0.234 0.000 0.934 656 V CB 1.609 33.586 31.823 0.257 0.000 1.003 656 V HN 1.080 nan 8.190 nan 0.000 0.451 657 A N 3.673 126.596 122.820 0.172 0.000 2.555 657 A HA 0.654 4.981 4.320 0.012 0.000 0.297 657 A C -1.626 176.078 177.584 0.200 0.000 1.060 657 A CA -0.516 51.599 52.037 0.131 0.000 0.710 657 A CB 1.329 20.363 19.000 0.056 0.000 1.282 657 A HN 0.818 nan 8.150 nan 0.000 0.399 658 L N 2.244 123.551 121.223 0.140 0.000 2.295 658 L HA 0.473 4.820 4.340 0.012 0.000 0.288 658 L C -0.311 176.662 176.870 0.171 0.000 1.079 658 L CA 0.393 55.324 54.840 0.150 0.000 0.830 658 L CB -0.472 41.641 42.059 0.090 0.000 1.200 658 L HN 0.719 nan 8.230 nan 0.000 0.438 659 D N 4.960 125.533 120.400 0.289 0.000 2.740 659 D HA -0.203 4.444 4.640 0.012 0.000 0.231 659 D C 1.226 177.595 176.300 0.115 0.000 1.194 659 D CA 1.413 55.589 54.000 0.293 0.000 0.673 659 D CB -1.053 39.868 40.800 0.202 0.000 0.995 659 D HN 1.145 nan 8.370 nan 0.000 0.411 660 G N -0.305 108.520 108.800 0.042 0.000 2.184 660 G HA2 -0.385 3.582 3.960 0.012 0.000 0.264 660 G HA3 -0.385 3.582 3.960 0.012 0.000 0.264 660 G C 0.105 174.934 174.900 -0.118 0.000 0.975 660 G CA 0.755 45.761 45.100 -0.157 0.000 0.642 660 G HN 0.578 nan 8.290 nan 0.000 0.536 661 K N 1.379 121.760 120.400 -0.033 0.000 2.334 661 K HA 0.581 4.908 4.320 0.012 0.000 0.265 661 K C -2.738 173.854 176.600 -0.012 0.000 1.039 661 K CA -2.259 54.009 56.287 -0.031 0.000 0.920 661 K CB 2.231 34.726 32.500 -0.009 0.000 1.160 661 K HN 0.098 nan 8.250 nan 0.000 0.451 662 P HA 0.018 nan 4.420 nan 0.000 0.271 662 P C -0.150 177.139 177.300 -0.018 0.000 1.226 662 P CA -0.126 62.952 63.100 -0.036 0.000 0.765 662 P CB 0.804 32.458 31.700 -0.078 0.000 0.835 663 L N 1.449 122.678 121.223 0.010 0.000 2.537 663 L HA 0.470 4.817 4.340 0.012 0.000 0.224 663 L C 0.963 177.844 176.870 0.017 0.000 1.065 663 L CA 0.334 55.188 54.840 0.023 0.000 0.860 663 L CB 0.182 42.274 42.059 0.056 0.000 1.086 663 L HN 0.419 nan 8.230 nan 0.000 0.482 664 A N -0.254 122.565 122.820 -0.000 0.000 2.599 664 A HA 0.654 4.981 4.320 0.012 0.000 0.294 664 A C -0.737 176.664 177.584 -0.306 0.000 1.055 664 A CA -0.229 51.780 52.037 -0.048 0.000 0.683 664 A CB 1.447 20.537 19.000 0.150 0.000 1.278 664 A HN 0.058 nan 8.150 nan 0.000 0.412 665 S N -0.447 114.860 115.700 -0.656 0.000 2.794 665 S HA 1.026 5.503 4.470 0.012 0.000 0.299 665 S C 0.025 173.592 174.600 -1.721 0.000 1.179 665 S CA -0.340 57.157 58.200 -1.172 0.000 0.838 665 S CB 1.379 64.204 63.200 -0.625 0.000 1.206 665 S HN 2.581 nan 8.310 nan 0.000 0.523 666 G N -0.534 107.245 108.800 -1.702 0.000 2.342 666 G HA2 0.591 4.558 3.960 0.012 0.000 0.297 666 G HA3 0.591 4.558 3.960 0.012 0.000 0.297 666 G C -2.553 172.085 174.900 -0.437 0.000 1.313 666 G CA -0.869 43.680 45.100 -0.919 0.000 0.830 666 G HN 0.831 nan 8.290 nan 0.000 0.506 667 E N -1.105 119.171 120.200 0.127 0.000 2.388 667 E HA 0.522 4.879 4.350 0.012 0.000 0.289 667 E C -1.493 175.266 176.600 0.265 0.000 0.944 667 E CA -0.856 55.669 56.400 0.210 0.000 0.792 667 E CB 2.679 32.402 29.700 0.039 0.000 1.239 667 E HN 0.468 nan 8.360 nan 0.000 0.412 668 V N 1.720 121.799 119.914 0.275 0.000 2.876 668 V HA 0.531 4.658 4.120 0.012 0.000 0.312 668 V C -2.576 173.608 176.094 0.149 0.000 1.085 668 V CA -2.230 60.182 62.300 0.187 0.000 0.945 668 V CB 2.266 34.187 31.823 0.162 0.000 1.017 668 V HN 0.540 nan 8.190 nan 0.000 0.428 669 P HA 0.453 nan 4.420 nan 0.000 0.293 669 P C -0.700 176.643 177.300 0.072 0.000 1.300 669 P CA -0.302 62.852 63.100 0.089 0.000 0.792 669 P CB 0.814 32.563 31.700 0.082 0.000 0.925 670 L N 3.750 125.001 121.223 0.045 0.000 2.410 670 L HA 0.262 4.609 4.340 0.012 0.000 0.273 670 L C 0.718 177.612 176.870 0.039 0.000 1.152 670 L CA 0.787 55.632 54.840 0.008 0.000 0.855 670 L CB 0.287 42.289 42.059 -0.094 0.000 1.129 670 L HN 0.354 nan 8.230 nan 0.000 0.463 671 D N 3.732 124.159 120.400 0.045 0.000 2.411 671 D HA 0.251 4.898 4.640 0.012 0.000 0.239 671 D C -1.669 174.666 176.300 0.058 0.000 1.307 671 D CA -0.088 53.980 54.000 0.113 0.000 0.930 671 D CB 1.388 42.288 40.800 0.167 0.000 1.395 671 D HN 0.163 nan 8.370 nan 0.000 0.536 672 V N 2.065 121.870 119.914 -0.182 0.000 2.668 672 V HA 0.821 4.948 4.120 0.012 0.000 0.304 672 V C -0.661 175.123 176.094 -0.517 0.000 1.071 672 V CA -0.374 61.820 62.300 -0.176 0.000 0.894 672 V CB 1.530 33.359 31.823 0.010 0.000 1.008 672 V HN 0.576 nan 8.190 nan 0.000 0.425 673 A N 8.681 131.404 122.820 -0.161 0.000 2.371 673 A HA 0.770 5.097 4.320 0.012 0.000 0.257 673 A C -2.463 175.138 177.584 0.027 0.000 1.089 673 A CA -1.371 50.693 52.037 0.044 0.000 0.794 673 A CB 0.030 19.174 19.000 0.241 0.000 1.029 673 A HN 0.755 nan 8.150 nan 0.000 0.488 674 P HA -0.051 nan 4.420 nan 0.000 0.259 674 P C -0.424 176.886 177.300 0.016 0.000 1.163 674 P CA 0.770 63.897 63.100 0.044 0.000 0.760 674 P CB 0.205 31.920 31.700 0.025 0.000 0.762 675 Q N -1.115 118.684 119.800 -0.002 0.000 2.460 675 Q HA -0.168 4.179 4.340 0.012 0.000 0.248 675 Q C 0.662 176.667 176.000 0.008 0.000 0.847 675 Q CA 1.529 57.323 55.803 -0.016 0.000 1.214 675 Q CB -2.576 26.141 28.738 -0.035 0.000 1.523 675 Q HN 0.742 nan 8.270 nan 0.000 0.602 676 G N 0.237 109.054 108.800 0.028 0.000 2.531 676 G HA2 0.590 4.557 3.960 0.012 0.000 0.313 676 G HA3 0.590 4.557 3.960 0.012 0.000 0.313 676 G C -0.327 174.599 174.900 0.043 0.000 1.238 676 G CA -0.645 44.478 45.100 0.039 0.000 0.994 676 G HN -0.008 nan 8.290 nan 0.000 0.493 677 K N -0.380 120.047 120.400 0.045 0.000 2.385 677 K HA 0.452 4.779 4.320 0.012 0.000 0.248 677 K C -1.082 175.550 176.600 0.053 0.000 0.955 677 K CA -0.670 55.645 56.287 0.047 0.000 0.816 677 K CB 2.700 35.222 32.500 0.037 0.000 1.250 677 K HN 0.498 nan 8.250 nan 0.000 0.434 678 Q N 2.866 122.701 119.800 0.058 0.000 2.274 678 Q HA 0.324 4.671 4.340 0.012 0.000 0.268 678 Q C -1.382 174.650 176.000 0.052 0.000 1.015 678 Q CA -0.622 55.214 55.803 0.056 0.000 0.775 678 Q CB 1.325 30.099 28.738 0.060 0.000 1.256 678 Q HN 0.471 nan 8.270 nan 0.000 0.442 679 L N 5.465 126.709 121.223 0.035 0.000 2.312 679 L HA 0.525 4.872 4.340 0.012 0.000 0.281 679 L C -0.207 176.666 176.870 0.005 0.000 1.070 679 L CA -0.414 54.438 54.840 0.019 0.000 0.805 679 L CB 0.974 43.038 42.059 0.008 0.000 1.174 679 L HN 0.650 nan 8.230 nan 0.000 0.434 680 I N 2.570 123.130 120.570 -0.016 0.000 2.439 680 I HA 0.258 4.435 4.170 0.012 0.000 0.285 680 I C -0.335 175.713 176.117 -0.116 0.000 1.021 680 I CA -0.850 60.418 61.300 -0.053 0.000 1.091 680 I CB 2.205 40.181 38.000 -0.040 0.000 1.242 680 I HN 0.404 nan 8.210 nan 0.000 0.439 681 E N 6.088 126.220 120.200 -0.114 0.000 2.194 681 E HA 0.461 4.818 4.350 0.012 0.000 0.284 681 E C -0.590 175.884 176.600 -0.209 0.000 1.035 681 E CA -0.374 55.944 56.400 -0.136 0.000 0.836 681 E CB 1.252 30.900 29.700 -0.087 0.000 1.070 681 E HN 0.447 nan 8.360 nan 0.000 0.401 682 L N 5.570 126.633 121.223 -0.267 0.000 2.399 682 L HA 0.367 4.714 4.340 0.012 0.000 0.266 682 L C -1.809 174.918 176.870 -0.239 0.000 1.114 682 L CA -1.832 52.776 54.840 -0.386 0.000 0.804 682 L CB 0.559 42.300 42.059 -0.530 0.000 1.146 682 L HN 0.352 nan 8.230 nan 0.000 0.451 683 P HA -0.010 nan 4.420 nan 0.000 0.272 683 P C -0.833 176.432 177.300 -0.058 0.000 1.240 683 P CA -0.464 62.596 63.100 -0.066 0.000 0.791 683 P CB 0.357 32.090 31.700 0.054 0.000 0.978 684 E N 1.423 121.614 120.200 -0.016 0.000 2.465 684 E HA -0.003 4.354 4.350 0.012 0.000 0.260 684 E C -1.026 175.586 176.600 0.019 0.000 0.980 684 E CA -0.017 56.377 56.400 -0.010 0.000 0.927 684 E CB 0.032 29.731 29.700 -0.001 0.000 0.934 684 E HN 0.365 nan 8.360 nan 0.000 0.459 685 L N 7.385 128.613 121.223 0.009 0.000 2.321 685 L HA 0.281 4.628 4.340 0.012 0.000 0.272 685 L C -1.934 174.961 176.870 0.042 0.000 1.050 685 L CA -2.062 52.804 54.840 0.043 0.000 0.893 685 L CB 1.103 43.180 42.059 0.029 0.000 1.272 685 L HN 0.589 nan 8.230 nan 0.000 0.435 686 P HA -0.155 nan 4.420 nan 0.000 0.265 686 P C -1.236 176.085 177.300 0.034 0.000 1.151 686 P CA 0.393 63.517 63.100 0.040 0.000 0.755 686 P CB 0.206 31.934 31.700 0.046 0.000 0.756 687 Q N 2.549 122.362 119.800 0.023 0.000 2.330 687 Q HA 0.675 5.022 4.340 0.012 0.000 0.269 687 Q C -2.651 173.360 176.000 0.018 0.000 1.022 687 Q CA -1.966 53.847 55.803 0.018 0.000 0.796 687 Q CB 1.642 30.385 28.738 0.008 0.000 1.271 687 Q HN 0.294 nan 8.270 nan 0.000 0.450 688 P HA 0.362 nan 4.420 nan 0.000 0.292 688 P C -0.498 176.812 177.300 0.016 0.000 1.300 688 P CA -0.657 62.455 63.100 0.020 0.000 0.900 688 P CB 1.611 33.327 31.700 0.026 0.000 1.139 689 E N -0.622 119.587 120.200 0.015 0.000 2.371 689 E HA -0.010 4.347 4.350 0.012 0.000 0.194 689 E C 0.642 177.252 176.600 0.017 0.000 1.012 689 E CA 0.275 56.683 56.400 0.013 0.000 0.860 689 E CB 0.029 29.736 29.700 0.012 0.000 0.811 689 E HN 0.348 nan 8.360 nan 0.000 0.502 690 S N 1.087 116.800 115.700 0.021 0.000 2.515 690 S HA 0.271 4.748 4.470 0.012 0.000 0.285 690 S C 0.270 174.887 174.600 0.029 0.000 1.265 690 S CA -0.469 57.746 58.200 0.026 0.000 1.079 690 S CB 0.166 63.383 63.200 0.029 0.000 0.877 690 S HN 0.274 nan 8.310 nan 0.000 0.493 691 A N 4.392 127.230 122.820 0.030 0.000 2.507 691 A HA 0.606 4.934 4.320 0.012 0.000 0.235 691 A C 1.106 178.717 177.584 0.044 0.000 1.070 691 A CA 0.447 52.503 52.037 0.032 0.000 0.768 691 A CB -0.709 18.312 19.000 0.035 0.000 1.011 691 A HN 2.048 nan 8.150 nan 0.000 0.502 692 G N -0.151 108.674 108.800 0.042 0.000 2.347 692 G HA2 0.269 4.236 3.960 0.012 0.000 0.341 692 G HA3 0.269 4.236 3.960 0.012 0.000 0.341 692 G C -1.021 173.897 174.900 0.030 0.000 1.287 692 G CA -0.575 44.562 45.100 0.061 0.000 0.984 692 G HN 0.914 nan 8.290 nan 0.000 0.526 693 Q N -0.312 119.518 119.800 0.049 0.000 2.271 693 Q HA 0.622 4.969 4.340 0.012 0.000 0.258 693 Q C -0.125 175.869 176.000 -0.010 0.000 0.936 693 Q CA -0.602 55.160 55.803 -0.068 0.000 0.909 693 Q CB 1.942 30.587 28.738 -0.154 0.000 1.253 693 Q HN 0.472 nan 8.270 nan 0.000 0.440 694 L N 3.777 124.912 121.223 -0.146 0.000 2.275 694 L HA 0.428 4.775 4.340 0.012 0.000 0.288 694 L C -1.357 175.463 176.870 -0.083 0.000 1.046 694 L CA -0.165 54.662 54.840 -0.023 0.000 0.805 694 L CB 0.485 42.538 42.059 -0.009 0.000 1.193 694 L HN 0.723 nan 8.230 nan 0.000 0.426 695 W N 4.796 126.145 121.300 0.082 0.000 2.936 695 W HA 0.453 5.120 4.660 0.011 0.000 0.338 695 W C -0.866 175.758 176.519 0.174 0.000 1.121 695 W CA -0.621 56.800 57.345 0.126 0.000 1.209 695 W CB 1.671 31.213 29.460 0.137 0.000 1.420 695 W HN 0.139 nan 8.180 nan 0.000 0.516 696 L N 2.638 124.180 121.223 0.532 0.000 2.313 696 L HA 0.775 5.122 4.340 0.012 0.000 0.283 696 L C -0.511 176.688 176.870 0.547 0.000 1.013 696 L CA -0.260 54.860 54.840 0.468 0.000 0.816 696 L CB 1.314 43.592 42.059 0.365 0.000 1.236 696 L HN 0.389 nan 8.230 nan 0.000 0.419 697 T N 5.137 119.939 114.554 0.413 0.000 2.815 697 T HA 0.589 4.946 4.350 0.012 0.000 0.289 697 T C -0.365 174.522 174.700 0.312 0.000 1.000 697 T CA -0.535 61.759 62.100 0.324 0.000 0.958 697 T CB 1.165 70.143 68.868 0.184 0.000 0.944 697 T HN 0.581 nan 8.240 nan 0.000 0.442 698 V N 1.728 121.817 119.914 0.291 0.000 2.612 698 V HA 0.816 4.943 4.120 0.012 0.000 0.301 698 V C -0.345 175.824 176.094 0.125 0.000 1.046 698 V CA -1.093 61.323 62.300 0.192 0.000 0.946 698 V CB 1.569 33.413 31.823 0.036 0.000 1.003 698 V HN 0.813 nan 8.190 nan 0.000 0.459 699 R N 2.164 122.753 120.500 0.147 0.000 2.564 699 R HA 0.698 5.045 4.340 0.012 0.000 0.284 699 R C -1.630 174.739 176.300 0.116 0.000 1.031 699 R CA -0.659 55.540 56.100 0.165 0.000 0.904 699 R CB 2.612 32.985 30.300 0.121 0.000 1.199 699 R HN 0.727 nan 8.270 nan 0.000 0.443 700 V N 4.170 124.197 119.914 0.188 0.000 2.465 700 V HA 0.400 4.527 4.120 0.012 0.000 0.279 700 V C -0.168 175.963 176.094 0.061 0.000 1.045 700 V CA -0.514 61.862 62.300 0.127 0.000 0.938 700 V CB 1.536 33.458 31.823 0.166 0.000 0.986 700 V HN 0.436 nan 8.190 nan 0.000 0.467 701 V N 4.080 123.969 119.914 -0.043 0.000 2.656 701 V HA 0.466 4.593 4.120 0.012 0.000 0.307 701 V C -0.504 175.592 176.094 0.004 0.000 1.051 701 V CA -0.888 61.367 62.300 -0.077 0.000 0.893 701 V CB 1.788 33.398 31.823 -0.356 0.000 0.999 701 V HN 0.860 nan 8.190 nan 0.000 0.426 702 Q N 4.656 124.494 119.800 0.063 0.000 2.456 702 Q HA 0.295 4.642 4.340 0.012 0.000 0.234 702 Q C -1.778 174.240 176.000 0.030 0.000 1.061 702 Q CA -1.801 54.044 55.803 0.069 0.000 0.896 702 Q CB 1.897 30.696 28.738 0.100 0.000 1.233 702 Q HN 0.531 nan 8.270 nan 0.000 0.506 703 P HA -0.208 nan 4.420 nan 0.000 0.214 703 P C -0.545 176.757 177.300 0.005 0.000 1.163 703 P CA 1.338 64.452 63.100 0.023 0.000 0.883 703 P CB 0.260 31.980 31.700 0.034 0.000 0.788 704 N N -0.595 118.099 118.700 -0.010 0.000 2.508 704 N HA 0.419 5.166 4.740 0.012 0.000 0.285 704 N C -0.166 175.296 175.510 -0.081 0.000 1.144 704 N CA -0.596 52.433 53.050 -0.034 0.000 0.978 704 N CB 0.309 38.778 38.487 -0.030 0.000 1.180 704 N HN 0.059 nan 8.380 nan 0.000 0.484 705 A N 0.275 123.042 122.820 -0.088 0.000 2.406 705 A HA 0.462 4.789 4.320 0.012 0.000 0.243 705 A C 0.659 178.121 177.584 -0.204 0.000 1.082 705 A CA -0.061 51.890 52.037 -0.142 0.000 0.786 705 A CB -0.149 18.794 19.000 -0.095 0.000 1.029 705 A HN 0.753 nan 8.150 nan 0.000 0.495 706 T N -2.945 111.404 114.554 -0.343 0.000 2.773 706 T HA 0.622 4.979 4.350 0.012 0.000 0.278 706 T C 0.999 175.532 174.700 -0.280 0.000 1.011 706 T CA 0.077 61.933 62.100 -0.407 0.000 1.014 706 T CB 1.112 69.463 68.868 -0.862 0.000 1.293 706 T HN 1.366 nan 8.240 nan 0.000 0.554 707 A N -0.139 122.601 122.820 -0.133 0.000 2.067 707 A HA 0.133 4.460 4.320 0.012 0.000 0.219 707 A C 1.558 179.323 177.584 0.302 0.000 1.158 707 A CA 1.164 53.255 52.037 0.090 0.000 0.661 707 A CB -0.824 18.239 19.000 0.105 0.000 0.801 707 A HN 0.945 nan 8.150 nan 0.000 0.452 708 W N -1.294 120.094 121.300 0.146 0.000 2.055 708 W HA 0.427 5.095 4.660 0.013 0.000 0.293 708 W C -0.089 176.424 176.519 -0.010 0.000 0.886 708 W CA 0.447 57.859 57.345 0.112 0.000 1.384 708 W CB -1.010 28.520 29.460 0.116 0.000 1.068 708 W HN 0.366 nan 8.180 nan 0.000 0.513 709 S N 0.322 115.521 115.700 -0.836 0.000 2.599 709 S HA 0.545 5.022 4.470 0.012 0.000 0.294 709 S C -0.705 173.661 174.600 -0.391 0.000 1.094 709 S CA -0.345 57.360 58.200 -0.825 0.000 0.931 709 S CB 3.205 65.496 63.200 -1.514 0.000 1.093 709 S HN 0.160 nan 8.310 nan 0.000 0.488 710 E N 0.266 120.339 120.200 -0.212 0.000 2.267 710 E HA 0.630 4.987 4.350 0.012 0.000 0.258 710 E C -0.101 176.459 176.600 -0.068 0.000 1.074 710 E CA -0.967 55.383 56.400 -0.084 0.000 0.915 710 E CB 1.650 31.355 29.700 0.008 0.000 1.186 710 E HN 0.880 nan 8.360 nan 0.000 0.439 711 A N -0.146 122.655 122.820 -0.031 0.000 2.388 711 A HA 0.457 4.784 4.320 0.012 0.000 0.257 711 A C 0.797 178.398 177.584 0.029 0.000 1.095 711 A CA 0.558 52.588 52.037 -0.011 0.000 0.791 711 A CB -0.042 18.953 19.000 -0.007 0.000 1.029 711 A HN 0.764 nan 8.150 nan 0.000 0.489 712 G N 0.634 109.456 108.800 0.037 0.000 2.198 712 G HA2 -0.258 3.709 3.960 0.012 0.000 0.260 712 G HA3 -0.258 3.709 3.960 0.012 0.000 0.260 712 G C 0.128 175.070 174.900 0.069 0.000 1.025 712 G CA 0.871 45.996 45.100 0.042 0.000 0.769 712 G HN 1.689 nan 8.290 nan 0.000 0.507 713 H N 0.201 119.270 119.070 -0.001 0.000 2.732 713 H HA 0.472 5.035 4.556 0.012 0.000 0.351 713 H C 0.664 176.044 175.328 0.087 0.000 1.090 713 H CA -0.485 55.587 56.048 0.039 0.000 1.431 713 H CB 0.366 30.135 29.762 0.012 0.000 1.447 713 H HN 0.118 nan 8.280 nan 0.000 0.582 714 I N 5.638 125.976 120.570 -0.385 0.000 2.297 714 I HA 0.011 4.188 4.170 0.012 0.000 0.291 714 I C 1.153 177.183 176.117 -0.144 0.000 1.033 714 I CA -0.040 61.167 61.300 -0.155 0.000 1.253 714 I CB 0.915 38.874 38.000 -0.067 0.000 1.396 714 I HN 0.811 nan 8.210 nan 0.000 0.476 715 S N 4.895 120.704 115.700 0.182 0.000 2.387 715 S HA 0.320 4.797 4.470 0.012 0.000 0.221 715 S C 0.832 175.690 174.600 0.430 0.000 1.041 715 S CA 0.160 58.603 58.200 0.405 0.000 0.959 715 S CB 0.400 63.933 63.200 0.555 0.000 0.843 715 S HN 0.686 nan 8.310 nan 0.000 0.488 716 A N 0.327 123.428 122.820 0.469 0.000 2.556 716 A HA 0.706 5.033 4.320 0.012 0.000 0.294 716 A C -1.763 176.156 177.584 0.559 0.000 1.091 716 A CA -0.925 51.366 52.037 0.422 0.000 0.704 716 A CB 0.919 20.235 19.000 0.526 0.000 1.300 716 A HN 0.895 nan 8.150 nan 0.000 0.406 717 W N 0.079 121.570 121.300 0.318 0.000 3.213 717 W HA 0.773 5.441 4.660 0.013 0.000 0.318 717 W C -1.374 175.228 176.519 0.138 0.000 1.248 717 W CA -0.562 56.866 57.345 0.139 0.000 1.187 717 W CB 1.246 30.736 29.460 0.049 0.000 1.403 717 W HN 0.826 nan 8.180 nan 0.000 0.556 718 Q N 1.611 121.434 119.800 0.038 0.000 2.418 718 Q HA 0.502 4.849 4.340 0.012 0.000 0.282 718 Q C -1.455 174.352 176.000 -0.322 0.000 1.044 718 Q CA -0.525 55.119 55.803 -0.266 0.000 0.813 718 Q CB 2.708 31.101 28.738 -0.574 0.000 1.428 718 Q HN 0.614 nan 8.270 nan 0.000 0.402 719 Q N 1.479 120.948 119.800 -0.551 0.000 2.389 719 Q HA 0.577 4.924 4.340 0.012 0.000 0.277 719 Q C -1.353 174.528 176.000 -0.198 0.000 1.082 719 Q CA -0.569 55.151 55.803 -0.138 0.000 0.810 719 Q CB 2.291 31.089 28.738 0.099 0.000 1.374 719 Q HN 0.649 nan 8.270 nan 0.000 0.422 720 W N 1.665 123.173 121.300 0.346 0.000 3.274 720 W HA 0.403 5.069 4.660 0.011 0.000 0.327 720 W C -0.264 176.365 176.519 0.183 0.000 1.172 720 W CA -0.706 56.791 57.345 0.253 0.000 1.217 720 W CB 1.695 31.233 29.460 0.130 0.000 1.376 720 W HN 0.408 nan 8.180 nan 0.000 0.507 721 R N 2.724 123.264 120.500 0.066 0.000 2.442 721 R HA 0.279 4.626 4.340 0.012 0.000 0.291 721 R C 0.563 176.739 176.300 -0.207 0.000 1.069 721 R CA 0.123 55.883 56.100 -0.566 0.000 1.022 721 R CB 0.645 30.378 30.300 -0.945 0.000 0.976 721 R HN 0.488 nan 8.270 nan 0.000 0.443 722 L N 2.355 123.462 121.223 -0.192 0.000 2.583 722 L HA 0.420 4.767 4.340 0.012 0.000 0.165 722 L C 0.951 177.732 176.870 -0.148 0.000 1.560 722 L CA -0.490 54.288 54.840 -0.103 0.000 3.120 722 L CB -0.816 41.218 42.059 -0.042 0.000 2.974 722 L HN 0.594 nan 8.230 nan 0.000 0.955 723 A N 0.091 122.846 122.820 -0.108 0.000 2.272 723 A HA 0.338 4.665 4.320 0.012 0.000 0.275 723 A C -0.316 177.189 177.584 -0.132 0.000 1.096 723 A CA -0.101 51.875 52.037 -0.102 0.000 0.822 723 A CB 0.521 19.484 19.000 -0.061 0.000 1.088 723 A HN 0.611 nan 8.150 nan 0.000 0.495 724 E N 0.844 120.981 120.200 -0.106 0.000 2.241 724 E HA 0.230 4.587 4.350 0.012 0.000 0.263 724 E C -1.473 175.097 176.600 -0.049 0.000 0.882 724 E CA -0.667 55.674 56.400 -0.098 0.000 0.769 724 E CB 0.864 30.492 29.700 -0.120 0.000 1.185 724 E HN 0.597 nan 8.360 nan 0.000 0.415 725 N N 5.772 124.454 118.700 -0.029 0.000 2.558 725 N HA 0.204 4.951 4.740 0.012 0.000 0.233 725 N C -0.272 175.240 175.510 0.003 0.000 1.038 725 N CA -0.175 52.869 53.050 -0.008 0.000 0.934 725 N CB 0.782 39.269 38.487 0.000 0.000 1.175 725 N HN 0.567 nan 8.380 nan 0.000 0.512 726 L N 0.952 122.176 121.223 0.002 0.000 2.490 726 L HA -0.002 4.345 4.340 0.012 0.000 0.274 726 L C 1.211 178.092 176.870 0.019 0.000 1.201 726 L CA 0.382 55.229 54.840 0.012 0.000 0.869 726 L CB 0.393 42.457 42.059 0.009 0.000 1.123 726 L HN 0.313 nan 8.230 nan 0.000 0.484 727 S N 1.880 117.597 115.700 0.028 0.000 2.416 727 S HA 0.239 4.716 4.470 0.012 0.000 0.287 727 S C 0.537 175.154 174.600 0.028 0.000 1.139 727 S CA -0.785 57.434 58.200 0.032 0.000 1.058 727 S CB 0.595 63.821 63.200 0.043 0.000 0.967 727 S HN 0.468 nan 8.310 nan 0.000 0.495 728 V N 2.588 122.516 119.914 0.023 0.000 3.214 728 V HA 0.353 4.480 4.120 0.012 0.000 0.330 728 V C 0.456 176.562 176.094 0.019 0.000 1.403 728 V CA -0.283 62.029 62.300 0.020 0.000 1.143 728 V CB -0.607 31.225 31.823 0.015 0.000 1.098 728 V HN 0.751 nan 8.190 nan 0.000 0.463 729 T N 0.583 115.151 114.554 0.023 0.000 2.882 729 T HA 0.745 5.102 4.350 0.012 0.000 0.287 729 T C -0.410 174.303 174.700 0.022 0.000 0.992 729 T CA -0.454 61.658 62.100 0.021 0.000 1.076 729 T CB 1.881 70.762 68.868 0.021 0.000 0.961 729 T HN 0.240 nan 8.240 nan 0.000 0.490 730 L N 3.487 124.720 121.223 0.016 0.000 2.314 730 L HA 0.367 4.715 4.340 0.012 0.000 0.275 730 L C -1.886 174.990 176.870 0.009 0.000 1.068 730 L CA -1.709 53.139 54.840 0.013 0.000 0.894 730 L CB -0.446 41.618 42.059 0.008 0.000 1.275 730 L HN 0.537 nan 8.230 nan 0.000 0.432 731 P HA -0.151 nan 4.420 nan 0.000 0.268 731 P C 0.251 177.546 177.300 -0.009 0.000 1.140 731 P CA 0.137 63.245 63.100 0.013 0.000 0.751 731 P CB 0.375 32.088 31.700 0.020 0.000 0.740 732 A N 2.915 125.726 122.820 -0.014 0.000 2.615 732 A HA 0.314 4.642 4.320 0.012 0.000 0.230 732 A C 0.934 178.456 177.584 -0.104 0.000 1.062 732 A CA 0.360 52.370 52.037 -0.045 0.000 0.758 732 A CB -0.403 18.578 19.000 -0.031 0.000 0.995 732 A HN 0.819 nan 8.150 nan 0.000 0.511 733 A N 2.733 125.481 122.820 -0.120 0.000 2.522 733 A HA 0.444 4.771 4.320 0.012 0.000 0.256 733 A C 0.837 178.232 177.584 -0.316 0.000 1.086 733 A CA 0.184 52.131 52.037 -0.149 0.000 0.763 733 A CB -0.488 18.455 19.000 -0.094 0.000 1.024 733 A HN 1.191 nan 8.150 nan 0.000 0.502 734 S N 3.406 118.954 115.700 -0.254 0.000 2.589 734 S HA 0.083 4.560 4.470 0.012 0.000 0.306 734 S C 0.949 175.419 174.600 -0.217 0.000 1.221 734 S CA 0.157 58.183 58.200 -0.289 0.000 1.159 734 S CB -0.297 62.856 63.200 -0.079 0.000 0.990 734 S HN 0.841 nan 8.310 nan 0.000 0.514 735 H N 3.070 122.155 119.070 0.025 0.000 2.355 735 H HA -0.011 4.552 4.556 0.012 0.000 0.293 735 H C 1.449 176.791 175.328 0.023 0.000 1.060 735 H CA 1.380 57.441 56.048 0.022 0.000 1.167 735 H CB -0.892 28.884 29.762 0.022 0.000 1.376 735 H HN 0.699 nan 8.280 nan 0.000 0.549 736 A N 0.647 123.613 122.820 0.244 0.000 2.336 736 A HA 0.536 4.863 4.320 0.012 0.000 0.278 736 A C -0.094 177.555 177.584 0.108 0.000 1.371 736 A CA 0.017 52.137 52.037 0.138 0.000 0.842 736 A CB 0.016 19.089 19.000 0.122 0.000 1.363 736 A HN 0.459 nan 8.150 nan 0.000 0.517 737 I N -0.721 119.905 120.570 0.094 0.000 2.571 737 I HA 0.453 4.630 4.170 0.012 0.000 0.286 737 I C -2.658 173.525 176.117 0.110 0.000 1.134 737 I CA -1.924 59.426 61.300 0.083 0.000 1.052 737 I CB 2.060 40.092 38.000 0.054 0.000 1.237 737 I HN 0.357 nan 8.210 nan 0.000 0.435 738 P HA 0.020 nan 4.420 nan 0.000 0.261 738 P C -1.302 176.094 177.300 0.161 0.000 1.173 738 P CA 0.480 63.667 63.100 0.146 0.000 0.760 738 P CB 0.069 31.817 31.700 0.081 0.000 0.783 739 H N 3.136 122.255 119.070 0.082 0.000 2.459 739 H HA 0.486 5.049 4.556 0.012 0.000 0.332 739 H C -1.060 174.304 175.328 0.060 0.000 1.094 739 H CA -1.033 55.047 56.048 0.053 0.000 1.224 739 H CB 0.606 30.393 29.762 0.042 0.000 1.449 739 H HN 0.184 nan 8.280 nan 0.000 0.484 740 L N 4.690 125.753 121.223 -0.266 0.000 2.276 740 L HA 0.405 4.752 4.340 0.012 0.000 0.286 740 L C -0.592 176.051 176.870 -0.379 0.000 1.061 740 L CA 0.225 54.900 54.840 -0.275 0.000 0.807 740 L CB 1.163 43.139 42.059 -0.139 0.000 1.177 740 L HN 0.833 nan 8.230 nan 0.000 0.429 741 T N 4.187 118.601 114.554 -0.234 0.000 2.833 741 T HA 0.384 4.741 4.350 0.012 0.000 0.297 741 T C -0.208 174.534 174.700 0.070 0.000 1.015 741 T CA -0.272 61.768 62.100 -0.099 0.000 0.963 741 T CB 0.595 69.396 68.868 -0.112 0.000 0.955 741 T HN 0.728 nan 8.240 nan 0.000 0.449 742 T N 3.235 117.853 114.554 0.107 0.000 2.889 742 T HA 0.626 4.983 4.350 0.012 0.000 0.291 742 T C 0.220 174.973 174.700 0.089 0.000 0.995 742 T CA -0.492 61.714 62.100 0.176 0.000 1.092 742 T CB 1.044 70.029 68.868 0.195 0.000 0.954 742 T HN 0.662 nan 8.240 nan 0.000 0.506 743 S N 1.095 116.828 115.700 0.054 0.000 2.671 743 S HA 0.388 4.865 4.470 0.012 0.000 0.277 743 S C 0.475 175.045 174.600 -0.050 0.000 1.165 743 S CA -0.794 57.408 58.200 0.003 0.000 0.822 743 S CB 1.757 64.958 63.200 0.002 0.000 1.150 743 S HN 0.690 nan 8.310 nan 0.000 0.479 744 E N -0.610 119.560 120.200 -0.050 0.000 2.435 744 E HA 0.058 4.415 4.350 0.012 0.000 0.195 744 E C 0.738 177.269 176.600 -0.116 0.000 1.029 744 E CA 0.476 56.831 56.400 -0.077 0.000 0.865 744 E CB 0.012 29.686 29.700 -0.043 0.000 0.833 744 E HN 0.559 nan 8.360 nan 0.000 0.510 745 M N 0.363 119.902 119.600 -0.102 0.000 2.615 745 M HA 0.131 4.618 4.480 0.012 0.000 0.262 745 M C -0.657 175.562 176.300 -0.134 0.000 1.198 745 M CA 0.662 55.904 55.300 -0.096 0.000 1.165 745 M CB 0.808 33.384 32.600 -0.040 0.000 1.310 745 M HN -0.170 nan 8.290 nan 0.000 0.494 746 D N -1.209 119.106 120.400 -0.142 0.000 2.753 746 D HA 0.307 4.954 4.640 0.012 0.000 0.224 746 D C -1.231 175.019 176.300 -0.083 0.000 1.213 746 D CA -0.318 53.617 54.000 -0.109 0.000 0.833 746 D CB 1.507 42.321 40.800 0.023 0.000 1.607 746 D HN -0.024 nan 8.370 nan 0.000 0.463 747 F N 0.453 120.458 119.950 0.092 0.000 2.404 747 F HA 0.386 4.920 4.527 0.012 0.000 0.339 747 F C 0.389 176.271 175.800 0.138 0.000 1.105 747 F CA -0.663 57.380 58.000 0.072 0.000 1.087 747 F CB 1.424 40.439 39.000 0.025 0.000 1.143 747 F HN 0.062 nan 8.300 nan 0.000 0.491 748 C N 4.764 124.238 119.300 0.291 0.000 2.345 748 C HA 0.636 5.103 4.460 0.012 0.000 0.323 748 C C -0.620 174.466 174.990 0.160 0.000 1.276 748 C CA -0.707 58.435 59.018 0.208 0.000 1.543 748 C CB 0.444 28.248 27.740 0.107 0.000 2.211 748 C HN 0.413 nan 8.230 nan 0.000 0.493 749 I N 3.016 123.766 120.570 0.300 0.000 2.378 749 I HA 0.609 4.786 4.170 0.012 0.000 0.291 749 I C -0.127 176.242 176.117 0.421 0.000 0.992 749 I CA -1.068 60.444 61.300 0.354 0.000 1.154 749 I CB 0.978 39.156 38.000 0.297 0.000 1.315 749 I HN 0.627 nan 8.210 nan 0.000 0.448 750 E N 5.954 126.325 120.200 0.285 0.000 2.274 750 E HA 0.731 5.088 4.350 0.012 0.000 0.269 750 E C -1.894 174.859 176.600 0.255 0.000 0.891 750 E CA -0.612 55.914 56.400 0.210 0.000 0.784 750 E CB 2.029 31.781 29.700 0.086 0.000 1.225 750 E HN 0.705 nan 8.360 nan 0.000 0.412 751 L N 5.272 126.644 121.223 0.249 0.000 2.528 751 L HA 0.602 4.949 4.340 0.012 0.000 0.267 751 L C 0.436 177.370 176.870 0.105 0.000 0.961 751 L CA 0.212 55.190 54.840 0.231 0.000 0.866 751 L CB 0.924 43.202 42.059 0.366 0.000 1.248 751 L HN 0.841 nan 8.230 nan 0.000 0.404 752 G N 4.396 113.236 108.800 0.066 0.000 2.651 752 G HA2 -0.440 3.527 3.960 0.012 0.000 0.315 752 G HA3 -0.440 3.527 3.960 0.012 0.000 0.315 752 G C 0.617 175.503 174.900 -0.024 0.000 1.258 752 G CA 0.655 45.764 45.100 0.013 0.000 1.002 752 G HN 1.069 nan 8.290 nan 0.000 0.551 753 N N 1.415 120.084 118.700 -0.051 0.000 2.449 753 N HA 0.055 4.802 4.740 0.012 0.000 0.191 753 N C 0.413 175.848 175.510 -0.126 0.000 1.161 753 N CA 0.918 53.923 53.050 -0.076 0.000 0.863 753 N CB 0.196 38.644 38.487 -0.066 0.000 0.980 753 N HN 0.686 nan 8.380 nan 0.000 0.458 754 K N 0.741 121.028 120.400 -0.190 0.000 2.207 754 K HA 0.470 4.797 4.320 0.012 0.000 0.255 754 K C -0.361 175.957 176.600 -0.471 0.000 0.941 754 K CA -0.660 55.375 56.287 -0.419 0.000 0.825 754 K CB 1.712 33.837 32.500 -0.625 0.000 1.119 754 K HN 0.154 nan 8.250 nan 0.000 0.430 755 R N 1.945 122.130 120.500 -0.524 0.000 2.584 755 R HA 0.428 4.776 4.340 0.012 0.000 0.276 755 R C -1.303 174.898 176.300 -0.164 0.000 1.046 755 R CA -0.993 54.979 56.100 -0.213 0.000 0.906 755 R CB 1.508 31.783 30.300 -0.042 0.000 1.215 755 R HN 0.482 nan 8.270 nan 0.000 0.449 756 W N 2.634 124.034 121.300 0.168 0.000 2.702 756 W HA 0.355 5.022 4.660 0.012 0.000 0.331 756 W C -0.367 176.230 176.519 0.130 0.000 1.049 756 W CA -0.550 56.842 57.345 0.079 0.000 1.230 756 W CB 2.394 31.886 29.460 0.054 0.000 1.408 756 W HN 0.515 nan 8.180 nan 0.000 0.492 757 Q N 3.071 123.009 119.800 0.230 0.000 2.304 757 Q HA 0.412 4.759 4.340 0.012 0.000 0.270 757 Q C -2.110 173.873 176.000 -0.029 0.000 1.035 757 Q CA -0.490 55.446 55.803 0.220 0.000 0.781 757 Q CB 1.697 30.632 28.738 0.327 0.000 1.261 757 Q HN 0.378 nan 8.270 nan 0.000 0.444 758 F N 2.559 122.582 119.950 0.121 0.000 2.427 758 F HA 0.331 4.865 4.527 0.012 0.000 0.346 758 F C 0.772 176.576 175.800 0.007 0.000 1.120 758 F CA -0.685 57.346 58.000 0.052 0.000 1.033 758 F CB 1.407 40.436 39.000 0.049 0.000 1.126 758 F HN 0.520 nan 8.300 nan 0.000 0.462 759 N N 3.999 122.790 118.700 0.152 0.000 2.420 759 N HA 0.080 4.827 4.740 0.012 0.000 0.262 759 N C 0.981 176.475 175.510 -0.026 0.000 1.144 759 N CA -0.136 52.948 53.050 0.057 0.000 0.952 759 N CB 0.686 39.220 38.487 0.077 0.000 1.081 759 N HN 0.717 nan 8.380 nan 0.000 0.480 760 R N 2.091 122.505 120.500 -0.142 0.000 2.115 760 R HA -0.170 4.178 4.340 0.012 0.000 0.230 760 R C 1.734 177.944 176.300 -0.151 0.000 1.111 760 R CA 1.497 57.447 56.100 -0.250 0.000 0.976 760 R CB 0.057 30.103 30.300 -0.423 0.000 0.870 760 R HN 0.742 nan 8.270 nan 0.000 0.445 761 Q N -0.208 119.539 119.800 -0.088 0.000 2.354 761 Q HA 0.028 4.375 4.340 0.012 0.000 0.203 761 Q C 1.799 177.773 176.000 -0.044 0.000 0.933 761 Q CA 1.309 57.074 55.803 -0.063 0.000 0.901 761 Q CB 0.236 28.951 28.738 -0.039 0.000 1.007 761 Q HN 0.176 nan 8.270 nan 0.000 0.495 762 S N -0.063 115.629 115.700 -0.013 0.000 2.468 762 S HA 0.302 4.779 4.470 0.012 0.000 0.226 762 S C 1.602 176.110 174.600 -0.152 0.000 1.051 762 S CA 0.641 58.866 58.200 0.042 0.000 0.943 762 S CB 0.159 63.481 63.200 0.204 0.000 0.810 762 S HN 0.681 nan 8.310 nan 0.000 0.509 763 G N 0.414 109.106 108.800 -0.179 0.000 2.141 763 G HA2 -0.187 3.780 3.960 0.012 0.000 0.242 763 G HA3 -0.187 3.780 3.960 0.012 0.000 0.242 763 G C -0.114 174.593 174.900 -0.322 0.000 0.982 763 G CA 0.223 45.166 45.100 -0.262 0.000 0.662 763 G HN 0.524 nan 8.290 nan 0.000 0.527 764 F N -0.893 119.205 119.950 0.246 0.000 2.523 764 F HA 0.658 5.192 4.527 0.012 0.000 0.329 764 F C 0.579 176.390 175.800 0.018 0.000 1.061 764 F CA -1.473 56.639 58.000 0.187 0.000 0.967 764 F CB 1.355 40.438 39.000 0.139 0.000 1.218 764 F HN -0.012 nan 8.300 nan 0.000 0.480 765 L N 2.550 123.803 121.223 0.049 0.000 2.623 765 L HA 0.100 4.447 4.340 0.012 0.000 0.281 765 L C 1.173 177.902 176.870 -0.234 0.000 1.150 765 L CA 0.229 54.700 54.840 -0.615 0.000 0.965 765 L CB -0.405 41.352 42.059 -0.502 0.000 1.303 765 L HN 0.708 nan 8.230 nan 0.000 0.467 766 S N 2.797 118.384 115.700 -0.189 0.000 2.470 766 S HA 0.126 4.603 4.470 0.012 0.000 0.225 766 S C 0.699 175.210 174.600 -0.149 0.000 1.006 766 S CA 0.463 58.621 58.200 -0.069 0.000 0.934 766 S CB 0.026 63.241 63.200 0.024 0.000 0.778 766 S HN 0.765 nan 8.310 nan 0.000 0.517 767 Q N -0.559 119.107 119.800 -0.225 0.000 2.647 767 Q HA 0.615 4.962 4.340 0.012 0.000 0.283 767 Q C -1.876 173.873 176.000 -0.418 0.000 0.943 767 Q CA -0.473 55.100 55.803 -0.384 0.000 0.813 767 Q CB 1.322 29.733 28.738 -0.545 0.000 1.477 767 Q HN 0.332 nan 8.270 nan 0.000 0.393 768 M N 1.659 120.851 119.600 -0.680 0.000 2.470 768 M HA 0.527 5.014 4.480 0.012 0.000 0.285 768 M C -1.931 173.960 176.300 -0.680 0.000 1.213 768 M CA -0.265 54.725 55.300 -0.516 0.000 0.901 768 M CB 1.889 34.255 32.600 -0.391 0.000 1.718 768 M HN 0.779 nan 8.290 nan 0.000 0.469 769 W N 3.642 124.741 121.300 -0.336 0.000 2.819 769 W HA 0.517 5.185 4.660 0.012 0.000 0.337 769 W C -1.436 174.905 176.519 -0.296 0.000 1.077 769 W CA -0.617 56.572 57.345 -0.260 0.000 1.226 769 W CB 1.825 31.156 29.460 -0.215 0.000 1.419 769 W HN 0.444 nan 8.180 nan 0.000 0.502 770 I N 2.566 123.147 120.570 0.018 0.000 2.354 770 I HA 0.390 4.568 4.170 0.012 0.000 0.286 770 I C 0.901 177.026 176.117 0.012 0.000 1.007 770 I CA 0.885 62.158 61.300 -0.045 0.000 1.167 770 I CB 1.015 38.966 38.000 -0.081 0.000 1.320 770 I HN 0.739 nan 8.210 nan 0.000 0.458 771 G N 5.674 114.462 108.800 -0.019 0.000 2.646 771 G HA2 -0.343 3.624 3.960 0.012 0.000 0.324 771 G HA3 -0.343 3.624 3.960 0.012 0.000 0.324 771 G C 0.086 175.004 174.900 0.030 0.000 1.195 771 G CA 0.714 45.806 45.100 -0.014 0.000 0.976 771 G HN 0.774 nan 8.290 nan 0.000 0.546 772 D N 0.073 120.512 120.400 0.064 0.000 2.886 772 D HA 0.543 5.190 4.640 0.012 0.000 0.355 772 D C -0.089 176.334 176.300 0.204 0.000 1.274 772 D CA -0.286 53.786 54.000 0.120 0.000 0.836 772 D CB 0.983 41.796 40.800 0.022 0.000 1.109 772 D HN 0.586 nan 8.370 nan 0.000 0.488 773 K N 0.753 121.312 120.400 0.265 0.000 2.604 773 K HA 0.398 4.725 4.320 0.012 0.000 0.247 773 K C -0.681 175.889 176.600 -0.050 0.000 0.956 773 K CA -0.545 55.805 56.287 0.105 0.000 0.896 773 K CB 1.070 33.584 32.500 0.024 0.000 1.131 773 K HN -0.164 nan 8.250 nan 0.000 0.440 774 K N 1.844 122.132 120.400 -0.187 0.000 2.380 774 K HA 0.102 4.429 4.320 0.012 0.000 0.267 774 K C 0.562 176.948 176.600 -0.357 0.000 0.990 774 K CA 0.300 56.240 56.287 -0.578 0.000 0.946 774 K CB 0.623 32.890 32.500 -0.387 0.000 0.937 774 K HN 0.555 nan 8.250 nan 0.000 0.491 775 Q N 0.908 120.467 119.800 -0.401 0.000 2.245 775 Q HA 0.221 4.568 4.340 0.012 0.000 0.250 775 Q C -0.139 175.766 176.000 -0.158 0.000 0.830 775 Q CA 0.252 55.946 55.803 -0.182 0.000 0.950 775 Q CB 0.671 29.353 28.738 -0.092 0.000 1.124 775 Q HN 0.461 nan 8.270 nan 0.000 0.502 776 L N 0.109 121.187 121.223 -0.242 0.000 2.313 776 L HA 0.455 4.802 4.340 0.012 0.000 0.268 776 L C 0.655 177.394 176.870 -0.218 0.000 1.010 776 L CA -0.446 54.270 54.840 -0.207 0.000 0.814 776 L CB 1.220 43.166 42.059 -0.189 0.000 1.304 776 L HN -0.081 nan 8.230 nan 0.000 0.441 777 L N -0.659 120.424 121.223 -0.234 0.000 2.902 777 L HA 0.283 4.630 4.340 0.012 0.000 0.254 777 L C -0.076 176.673 176.870 -0.203 0.000 1.115 777 L CA 0.490 55.194 54.840 -0.227 0.000 0.947 777 L CB 1.120 43.012 42.059 -0.278 0.000 1.369 777 L HN 0.568 nan 8.230 nan 0.000 0.538 778 T N 1.295 115.714 114.554 -0.225 0.000 3.032 778 T HA 0.378 4.735 4.350 0.012 0.000 0.312 778 T C -2.761 171.878 174.700 -0.101 0.000 1.078 778 T CA -1.037 60.979 62.100 -0.139 0.000 1.028 778 T CB 2.598 71.379 68.868 -0.145 0.000 1.091 778 T HN -0.264 nan 8.240 nan 0.000 0.457 779 P HA 0.153 nan 4.420 nan 0.000 0.269 779 P C -0.315 176.961 177.300 -0.040 0.000 1.215 779 P CA -0.720 62.362 63.100 -0.030 0.000 0.780 779 P CB 0.598 32.319 31.700 0.035 0.000 0.898 780 L N 3.525 124.771 121.223 0.038 0.000 2.500 780 L HA 0.109 4.456 4.340 0.012 0.000 0.272 780 L C 0.640 177.468 176.870 -0.070 0.000 1.149 780 L CA 0.639 55.528 54.840 0.081 0.000 0.897 780 L CB -0.530 41.696 42.059 0.279 0.000 1.178 780 L HN 0.376 nan 8.230 nan 0.000 0.473 781 R N 2.289 122.653 120.500 -0.227 0.000 2.795 781 R HA 0.633 4.981 4.340 0.012 0.000 0.275 781 R C -1.015 175.116 176.300 -0.283 0.000 0.981 781 R CA -1.098 54.694 56.100 -0.512 0.000 0.917 781 R CB 0.838 30.644 30.300 -0.823 0.000 1.202 781 R HN 0.401 nan 8.270 nan 0.000 0.469 782 D N 0.964 121.221 120.400 -0.237 0.000 2.368 782 D HA 0.055 4.702 4.640 0.012 0.000 0.240 782 D C -0.531 175.324 176.300 -0.743 0.000 1.169 782 D CA 0.180 53.898 54.000 -0.469 0.000 0.906 782 D CB 0.586 41.020 40.800 -0.610 0.000 1.187 782 D HN 0.353 nan 8.370 nan 0.000 0.435 783 Q N 0.614 119.775 119.800 -1.066 0.000 2.275 783 Q HA 0.266 4.613 4.340 0.012 0.000 0.258 783 Q C -1.194 174.113 176.000 -1.156 0.000 0.960 783 Q CA -0.468 54.764 55.803 -0.953 0.000 0.801 783 Q CB 0.697 29.118 28.738 -0.528 0.000 1.302 783 Q HN 0.534 nan 8.270 nan 0.000 0.433 784 F N 0.422 119.949 119.950 -0.705 0.000 2.682 784 F HA 0.190 4.723 4.527 0.012 0.000 0.308 784 F C 0.884 176.242 175.800 -0.737 0.000 1.093 784 F CA -0.177 57.324 58.000 -0.833 0.000 1.244 784 F CB 1.371 39.553 39.000 -1.363 0.000 1.052 784 F HN 0.352 nan 8.300 nan 0.000 0.573 785 T N -0.866 113.377 114.554 -0.518 0.000 2.907 785 T HA 0.744 5.102 4.350 0.012 0.000 0.290 785 T C -0.642 173.814 174.700 -0.407 0.000 1.066 785 T CA -0.950 60.793 62.100 -0.595 0.000 1.012 785 T CB 2.839 71.293 68.868 -0.691 0.000 1.184 785 T HN 0.268 nan 8.240 nan 0.000 0.522 786 R N 0.039 120.339 120.500 -0.332 0.000 2.771 786 R HA 0.749 5.097 4.340 0.012 0.000 0.274 786 R C -0.913 175.456 176.300 0.114 0.000 0.987 786 R CA -1.092 54.945 56.100 -0.105 0.000 0.908 786 R CB 1.567 31.791 30.300 -0.126 0.000 1.213 786 R HN 0.864 nan 8.270 nan 0.000 0.468 787 A N 3.937 126.802 122.820 0.075 0.000 2.476 787 A HA 0.294 4.621 4.320 0.012 0.000 0.275 787 A C -2.036 175.623 177.584 0.125 0.000 1.133 787 A CA -1.317 50.766 52.037 0.078 0.000 0.797 787 A CB -0.469 18.524 19.000 -0.012 0.000 1.081 787 A HN 0.549 nan 8.150 nan 0.000 0.510 788 P HA 0.072 nan 4.420 nan 0.000 0.264 788 P C -0.294 177.109 177.300 0.172 0.000 1.183 788 P CA 0.521 63.777 63.100 0.259 0.000 0.763 788 P CB 0.292 32.172 31.700 0.301 0.000 0.807 789 L N 2.422 123.713 121.223 0.114 0.000 2.456 789 L HA 0.209 4.556 4.340 0.012 0.000 0.257 789 L C 1.794 178.666 176.870 0.004 0.000 1.162 789 L CA -0.580 54.263 54.840 0.005 0.000 0.808 789 L CB 0.034 42.023 42.059 -0.117 0.000 1.136 789 L HN 0.284 nan 8.230 nan 0.000 0.466 790 D N 0.627 120.975 120.400 -0.087 0.000 2.149 790 D HA -0.190 4.457 4.640 0.012 0.000 0.194 790 D C 1.627 177.841 176.300 -0.144 0.000 1.001 790 D CA 1.572 55.443 54.000 -0.214 0.000 0.849 790 D CB 0.036 40.645 40.800 -0.317 0.000 0.939 790 D HN 0.520 nan 8.370 nan 0.000 0.449 791 N N 1.062 119.697 118.700 -0.108 0.000 2.120 791 N HA -0.120 4.627 4.740 0.012 0.000 0.188 791 N C 1.255 176.768 175.510 0.005 0.000 1.024 791 N CA 0.836 53.851 53.050 -0.058 0.000 0.852 791 N CB -0.363 38.081 38.487 -0.072 0.000 1.003 791 N HN 0.280 nan 8.380 nan 0.000 0.424 792 D N 0.655 121.076 120.400 0.034 0.000 2.263 792 D HA -0.051 4.597 4.640 0.012 0.000 0.208 792 D C 1.938 178.276 176.300 0.064 0.000 0.971 792 D CA 0.500 54.550 54.000 0.084 0.000 0.867 792 D CB 0.095 41.010 40.800 0.192 0.000 0.929 792 D HN 0.379 nan 8.370 nan 0.000 0.492 793 I N 0.026 120.621 120.570 0.043 0.000 2.494 793 I HA 0.045 4.222 4.170 0.012 0.000 0.250 793 I C 1.912 178.050 176.117 0.034 0.000 1.112 793 I CA 0.671 61.990 61.300 0.032 0.000 1.438 793 I CB -0.493 37.505 38.000 -0.004 0.000 1.111 793 I HN 0.057 nan 8.210 nan 0.000 0.431 794 G N 1.707 110.539 108.800 0.054 0.000 2.561 794 G HA2 -0.326 3.641 3.960 0.012 0.000 0.289 794 G HA3 -0.326 3.641 3.960 0.012 0.000 0.289 794 G C 0.632 175.677 174.900 0.242 0.000 1.169 794 G CA 0.732 45.919 45.100 0.145 0.000 0.980 794 G HN 0.243 nan 8.290 nan 0.000 0.550 795 V N -1.071 118.934 119.914 0.152 0.000 3.647 795 V HA 0.511 4.638 4.120 0.012 0.000 0.279 795 V C 1.483 177.600 176.094 0.039 0.000 1.314 795 V CA 1.161 63.514 62.300 0.089 0.000 1.125 795 V CB 0.213 32.000 31.823 -0.061 0.000 0.907 795 V HN 1.102 nan 8.190 nan 0.000 0.434 796 S N 1.411 117.132 115.700 0.035 0.000 2.596 796 S HA 0.080 4.557 4.470 0.012 0.000 0.298 796 S C 0.085 174.698 174.600 0.022 0.000 1.255 796 S CA 0.247 58.455 58.200 0.012 0.000 1.083 796 S CB -0.081 63.119 63.200 0.000 0.000 0.837 796 S HN 0.733 nan 8.310 nan 0.000 0.499 797 E N 2.378 122.584 120.200 0.011 0.000 2.249 797 E HA 0.626 4.983 4.350 0.012 0.000 0.263 797 E C 0.880 177.491 176.600 0.020 0.000 0.950 797 E CA -0.347 56.065 56.400 0.019 0.000 0.827 797 E CB 1.291 30.997 29.700 0.010 0.000 1.220 797 E HN 0.661 nan 8.360 nan 0.000 0.411 798 A N 0.877 123.716 122.820 0.030 0.000 1.933 798 A HA -0.171 4.156 4.320 0.012 0.000 0.218 798 A C 2.018 179.615 177.584 0.021 0.000 1.175 798 A CA 2.350 54.405 52.037 0.030 0.000 0.628 798 A CB -0.637 18.387 19.000 0.041 0.000 0.814 798 A HN 0.628 nan 8.150 nan 0.000 0.444 799 T N -2.906 111.658 114.554 0.017 0.000 3.051 799 T HA 0.122 4.479 4.350 0.012 0.000 0.255 799 T C 0.920 175.620 174.700 0.000 0.000 1.085 799 T CA 0.245 62.351 62.100 0.010 0.000 1.109 799 T CB -0.098 68.777 68.868 0.011 0.000 0.921 799 T HN 0.308 nan 8.240 nan 0.000 0.488 800 R N 1.645 122.142 120.500 -0.005 0.000 2.513 800 R HA 0.349 4.696 4.340 0.012 0.000 0.283 800 R C -1.019 175.271 176.300 -0.016 0.000 1.535 800 R CA -0.653 55.438 56.100 -0.016 0.000 1.315 800 R CB 0.273 30.555 30.300 -0.030 0.000 1.163 800 R HN 0.281 nan 8.270 nan 0.000 0.573 801 I N 2.501 123.062 120.570 -0.014 0.000 2.533 801 I HA -0.032 4.145 4.170 0.012 0.000 0.284 801 I C 0.447 176.546 176.117 -0.030 0.000 1.109 801 I CA 0.130 61.420 61.300 -0.017 0.000 1.412 801 I CB 0.653 38.645 38.000 -0.014 0.000 1.396 801 I HN 0.440 nan 8.210 nan 0.000 0.543 802 D N 9.918 130.297 120.400 -0.035 0.000 2.411 802 D HA 0.258 4.906 4.640 0.012 0.000 0.225 802 D C -1.811 174.445 176.300 -0.073 0.000 1.156 802 D CA -2.189 51.781 54.000 -0.050 0.000 0.874 802 D CB 1.474 42.249 40.800 -0.042 0.000 1.034 802 D HN 0.178 nan 8.370 nan 0.000 0.502 803 P HA -0.027 nan 4.420 nan 0.000 0.231 803 P C 0.679 177.883 177.300 -0.161 0.000 1.158 803 P CA 0.740 63.780 63.100 -0.100 0.000 0.763 803 P CB 0.219 31.869 31.700 -0.083 0.000 0.805 804 N N -0.586 118.013 118.700 -0.169 0.000 2.415 804 N HA 0.071 4.818 4.740 0.012 0.000 0.176 804 N C 0.480 175.780 175.510 -0.351 0.000 1.042 804 N CA -0.221 52.680 53.050 -0.249 0.000 0.902 804 N CB -0.023 38.352 38.487 -0.186 0.000 0.986 804 N HN 0.018 nan 8.380 nan 0.000 0.447 805 A N 0.689 123.362 122.820 -0.245 0.000 2.561 805 A HA -0.117 4.210 4.320 0.012 0.000 0.251 805 A C 0.454 177.832 177.584 -0.343 0.000 1.062 805 A CA -0.010 51.898 52.037 -0.215 0.000 0.761 805 A CB -0.302 18.638 19.000 -0.099 0.000 0.986 805 A HN 0.421 nan 8.150 nan 0.000 0.510 806 W N 2.269 123.306 121.300 -0.437 0.000 2.280 806 W HA -0.292 4.374 4.660 0.011 0.000 0.332 806 W C 2.303 178.215 176.519 -1.011 0.000 1.300 806 W CA 2.326 59.137 57.345 -0.890 0.000 1.274 806 W CB -0.589 28.220 29.460 -1.084 0.000 1.141 806 W HN 0.594 nan 8.180 nan 0.000 0.474 807 V N 0.789 120.541 119.914 -0.270 0.000 2.282 807 V HA -0.324 3.803 4.120 0.012 0.000 0.249 807 V C 2.297 178.456 176.094 0.107 0.000 1.057 807 V CA 2.434 64.823 62.300 0.148 0.000 1.032 807 V CB -0.581 31.384 31.823 0.238 0.000 0.645 807 V HN 0.121 nan 8.190 nan 0.000 0.447 808 E N -0.106 120.079 120.200 -0.025 0.000 2.097 808 E HA -0.247 4.111 4.350 0.012 0.000 0.196 808 E C 2.355 178.921 176.600 -0.056 0.000 1.000 808 E CA 1.682 58.064 56.400 -0.030 0.000 0.804 808 E CB -0.388 29.267 29.700 -0.074 0.000 0.740 808 E HN 0.619 nan 8.360 nan 0.000 0.454 809 R N -0.510 119.879 120.500 -0.186 0.000 2.070 809 R HA -0.130 4.217 4.340 0.012 0.000 0.232 809 R C 2.383 178.614 176.300 -0.115 0.000 1.138 809 R CA 1.443 57.404 56.100 -0.232 0.000 0.936 809 R CB -0.320 29.699 30.300 -0.468 0.000 0.839 809 R HN 0.269 nan 8.270 nan 0.000 0.429 810 W N 1.497 122.746 121.300 -0.085 0.000 2.321 810 W HA -0.178 4.489 4.660 0.012 0.000 0.306 810 W C 2.056 178.460 176.519 -0.191 0.000 1.217 810 W CA 0.888 58.046 57.345 -0.312 0.000 1.257 810 W CB -0.795 28.631 29.460 -0.057 0.000 1.145 810 W HN 0.176 nan 8.180 nan 0.000 0.509 811 K N -0.048 120.544 120.400 0.320 0.000 1.978 811 K HA -0.144 4.183 4.320 0.012 0.000 0.214 811 K C 2.313 178.987 176.600 0.123 0.000 1.049 811 K CA 2.065 58.524 56.287 0.287 0.000 0.939 811 K CB -0.756 31.871 32.500 0.211 0.000 0.721 811 K HN -0.018 nan 8.250 nan 0.000 0.441 812 A N 1.173 124.031 122.820 0.063 0.000 1.948 812 A HA -0.203 4.124 4.320 0.012 0.000 0.220 812 A C 2.272 179.872 177.584 0.027 0.000 1.177 812 A CA 2.112 54.175 52.037 0.043 0.000 0.636 812 A CB -0.785 18.220 19.000 0.009 0.000 0.815 812 A HN 0.431 nan 8.150 nan 0.000 0.449 813 A N -2.250 120.549 122.820 -0.036 0.000 2.015 813 A HA 0.322 4.649 4.320 0.012 0.000 0.219 813 A C 2.109 179.586 177.584 -0.179 0.000 1.163 813 A CA 1.682 53.684 52.037 -0.057 0.000 0.646 813 A CB -0.797 18.123 19.000 -0.134 0.000 0.806 813 A HN 1.944 nan 8.150 nan 0.000 0.448 814 G N -2.514 106.111 108.800 -0.291 0.000 2.195 814 G HA2 -0.278 3.689 3.960 0.012 0.000 0.224 814 G HA3 -0.278 3.689 3.960 0.012 0.000 0.224 814 G C 0.665 175.537 174.900 -0.046 0.000 0.990 814 G CA 0.668 45.355 45.100 -0.688 0.000 0.639 814 G HN 0.703 nan 8.290 nan 0.000 0.514 815 H N -0.760 118.275 119.070 -0.058 0.000 2.330 815 H HA -0.270 4.293 4.556 0.012 0.000 0.290 815 H C 2.209 177.490 175.328 -0.079 0.000 1.111 815 H CA 1.999 58.017 56.048 -0.049 0.000 1.226 815 H CB -0.132 29.505 29.762 -0.209 0.000 1.355 815 H HN 0.590 nan 8.280 nan 0.000 0.485 816 Y N 0.298 120.729 120.300 0.218 0.000 2.509 816 Y HA -0.116 4.441 4.550 0.012 0.000 0.293 816 Y C 1.848 177.841 175.900 0.154 0.000 1.133 816 Y CA 0.669 58.856 58.100 0.146 0.000 1.283 816 Y CB 0.326 38.860 38.460 0.124 0.000 1.001 816 Y HN 0.220 nan 8.280 nan 0.000 0.555 817 Q N -0.406 119.575 119.800 0.302 0.000 2.194 817 Q HA 0.325 4.672 4.340 0.012 0.000 0.214 817 Q C 0.284 176.494 176.000 0.350 0.000 0.838 817 Q CA -0.249 55.737 55.803 0.304 0.000 0.972 817 Q CB 0.875 29.815 28.738 0.336 0.000 1.131 817 Q HN 0.258 nan 8.270 nan 0.000 0.498 818 A N 1.110 124.149 122.820 0.364 0.000 2.407 818 A HA 0.206 4.533 4.320 0.012 0.000 0.248 818 A C -0.077 177.796 177.584 0.482 0.000 1.082 818 A CA -0.074 52.244 52.037 0.467 0.000 0.785 818 A CB 0.410 19.750 19.000 0.566 0.000 1.020 818 A HN 0.083 nan 8.150 nan 0.000 0.489 819 E N 1.068 121.492 120.200 0.374 0.000 2.114 819 E HA 0.439 4.796 4.350 0.012 0.000 0.266 819 E C -0.075 176.559 176.600 0.058 0.000 0.896 819 E CA -0.281 56.256 56.400 0.228 0.000 0.750 819 E CB 1.619 31.412 29.700 0.155 0.000 1.121 819 E HN 0.747 nan 8.360 nan 0.000 0.413 820 A N 2.605 125.340 122.820 -0.141 0.000 2.483 820 A HA 0.482 4.809 4.320 0.012 0.000 0.238 820 A C -0.017 177.403 177.584 -0.273 0.000 1.070 820 A CA 0.097 51.691 52.037 -0.739 0.000 0.770 820 A CB 0.384 18.971 19.000 -0.687 0.000 1.008 820 A HN 0.579 nan 8.150 nan 0.000 0.497 821 A N 2.098 124.742 122.820 -0.293 0.000 2.353 821 A HA 0.552 4.879 4.320 0.012 0.000 0.299 821 A C -0.588 176.874 177.584 -0.205 0.000 1.089 821 A CA -0.614 51.334 52.037 -0.148 0.000 0.736 821 A CB 0.710 19.655 19.000 -0.091 0.000 1.195 821 A HN 1.332 nan 8.150 nan 0.000 0.447 822 L N 3.793 124.877 121.223 -0.232 0.000 2.530 822 L HA 0.173 4.520 4.340 0.012 0.000 0.273 822 L C 0.603 177.323 176.870 -0.251 0.000 1.141 822 L CA 0.232 54.841 54.840 -0.385 0.000 0.905 822 L CB -0.407 41.460 42.059 -0.319 0.000 1.202 822 L HN 0.793 nan 8.230 nan 0.000 0.473 823 L N 3.694 124.766 121.223 -0.251 0.000 2.221 823 L HA 0.148 4.495 4.340 0.012 0.000 0.202 823 L C 0.450 177.250 176.870 -0.117 0.000 1.074 823 L CA 0.317 55.081 54.840 -0.127 0.000 0.795 823 L CB -0.091 41.931 42.059 -0.061 0.000 0.960 823 L HN 0.823 nan 8.230 nan 0.000 0.458 824 Q N -1.055 118.652 119.800 -0.155 0.000 2.479 824 Q HA 0.424 4.771 4.340 0.012 0.000 0.276 824 Q C -1.363 174.579 176.000 -0.096 0.000 0.989 824 Q CA -0.826 54.920 55.803 -0.095 0.000 0.864 824 Q CB 2.256 30.971 28.738 -0.038 0.000 1.444 824 Q HN -0.012 nan 8.270 nan 0.000 0.388 825 C N 2.870 122.148 119.300 -0.036 0.000 3.102 825 C HA 0.743 5.210 4.460 0.012 0.000 0.363 825 C C -0.828 174.263 174.990 0.168 0.000 1.048 825 C CA 0.707 59.740 59.018 0.025 0.000 1.330 825 C CB 0.419 28.137 27.740 -0.036 0.000 1.771 825 C HN 0.937 nan 8.230 nan 0.000 0.526 826 T N 2.433 117.068 114.554 0.134 0.000 2.942 826 T HA 0.894 5.251 4.350 0.012 0.000 0.289 826 T C -0.245 174.335 174.700 -0.199 0.000 1.044 826 T CA -0.136 62.016 62.100 0.088 0.000 1.023 826 T CB 1.963 70.815 68.868 -0.027 0.000 1.123 826 T HN 1.731 nan 8.240 nan 0.000 0.512 827 A N 1.622 124.078 122.820 -0.607 0.000 2.355 827 A HA 0.744 5.072 4.320 0.012 0.000 0.317 827 A C -1.219 176.083 177.584 -0.470 0.000 1.094 827 A CA -0.798 50.712 52.037 -0.879 0.000 0.764 827 A CB 0.986 18.893 19.000 -1.821 0.000 1.230 827 A HN 0.921 nan 8.150 nan 0.000 0.448 828 D N 0.529 120.734 120.400 -0.326 0.000 2.738 828 D HA 0.536 5.183 4.640 0.012 0.000 0.237 828 D C -0.866 175.337 176.300 -0.163 0.000 1.123 828 D CA -0.195 53.686 54.000 -0.198 0.000 0.856 828 D CB 1.920 42.643 40.800 -0.128 0.000 1.552 828 D HN 0.354 nan 8.370 nan 0.000 0.480 829 T N 2.173 116.657 114.554 -0.117 0.000 2.733 829 T HA 0.330 4.687 4.350 0.012 0.000 0.294 829 T C 0.248 174.913 174.700 -0.058 0.000 0.956 829 T CA -0.620 61.431 62.100 -0.082 0.000 0.987 829 T CB 0.366 69.203 68.868 -0.053 0.000 0.920 829 T HN 0.094 nan 8.240 nan 0.000 0.470 830 L N 1.917 123.108 121.223 -0.054 0.000 2.469 830 L HA 0.418 4.765 4.340 0.012 0.000 0.253 830 L C 1.914 178.770 176.870 -0.023 0.000 1.143 830 L CA -0.640 54.177 54.840 -0.039 0.000 0.804 830 L CB 0.362 42.396 42.059 -0.041 0.000 1.214 830 L HN 0.737 nan 8.230 nan 0.000 0.476 831 A N 0.939 123.748 122.820 -0.018 0.000 1.902 831 A HA -0.160 4.167 4.320 0.012 0.000 0.217 831 A C 0.918 178.498 177.584 -0.007 0.000 1.181 831 A CA 1.911 53.941 52.037 -0.011 0.000 0.623 831 A CB -0.405 18.589 19.000 -0.011 0.000 0.818 831 A HN 0.861 nan 8.150 nan 0.000 0.443 832 D N -2.543 117.850 120.400 -0.011 0.000 2.720 832 D HA 0.589 5.236 4.640 0.012 0.000 0.285 832 D C -0.143 176.151 176.300 -0.010 0.000 1.359 832 D CA 0.489 54.484 54.000 -0.007 0.000 0.818 832 D CB -0.241 40.552 40.800 -0.012 0.000 1.108 832 D HN 0.611 nan 8.370 nan 0.000 0.474 833 A N -1.054 121.755 122.820 -0.018 0.000 2.452 833 A HA 0.549 4.876 4.320 0.012 0.000 0.294 833 A C -1.849 175.701 177.584 -0.057 0.000 1.010 833 A CA -0.754 51.261 52.037 -0.035 0.000 0.613 833 A CB 0.686 19.660 19.000 -0.045 0.000 1.363 833 A HN 0.078 nan 8.150 nan 0.000 0.463 834 V N 0.383 120.244 119.914 -0.089 0.000 2.547 834 V HA 0.704 4.831 4.120 0.012 0.000 0.299 834 V C -0.749 175.254 176.094 -0.152 0.000 1.040 834 V CA -0.425 61.798 62.300 -0.129 0.000 0.913 834 V CB 1.435 33.167 31.823 -0.151 0.000 0.992 834 V HN 1.019 nan 8.190 nan 0.000 0.449 835 L N 5.987 127.107 121.223 -0.172 0.000 2.372 835 L HA 0.612 4.959 4.340 0.012 0.000 0.274 835 L C -0.852 175.888 176.870 -0.216 0.000 0.988 835 L CA -0.010 54.736 54.840 -0.155 0.000 0.833 835 L CB 1.223 43.222 42.059 -0.101 0.000 1.236 835 L HN 0.408 nan 8.230 nan 0.000 0.410 836 I N 4.143 124.579 120.570 -0.223 0.000 2.331 836 I HA 0.407 4.584 4.170 0.012 0.000 0.292 836 I C -0.170 175.912 176.117 -0.057 0.000 0.998 836 I CA -0.161 60.960 61.300 -0.298 0.000 1.267 836 I CB 1.382 38.946 38.000 -0.726 0.000 1.386 836 I HN 0.587 nan 8.210 nan 0.000 0.476 837 T N 4.600 119.120 114.554 -0.057 0.000 2.847 837 T HA 0.495 4.852 4.350 0.012 0.000 0.291 837 T C 0.305 175.043 174.700 0.063 0.000 0.998 837 T CA -0.644 61.478 62.100 0.037 0.000 0.967 837 T CB 1.553 70.423 68.868 0.004 0.000 0.954 837 T HN 0.738 nan 8.240 nan 0.000 0.441 838 T N -0.036 114.603 114.554 0.142 0.000 2.938 838 T HA 0.926 5.283 4.350 0.012 0.000 0.285 838 T C -0.647 174.126 174.700 0.122 0.000 1.028 838 T CA -1.136 61.036 62.100 0.121 0.000 1.005 838 T CB 1.978 70.980 68.868 0.223 0.000 1.157 838 T HN 0.820 nan 8.240 nan 0.000 0.550 839 A N 1.034 123.869 122.820 0.025 0.000 2.540 839 A HA 0.711 5.039 4.320 0.012 0.000 0.297 839 A C -1.620 175.873 177.584 -0.152 0.000 1.056 839 A CA -0.843 51.230 52.037 0.061 0.000 0.700 839 A CB 0.878 19.895 19.000 0.028 0.000 1.280 839 A HN 1.015 nan 8.150 nan 0.000 0.398 840 H N -0.221 118.878 119.070 0.047 0.000 2.980 840 H HA 0.821 5.384 4.556 0.012 0.000 0.367 840 H C -0.189 175.122 175.328 -0.029 0.000 1.206 840 H CA 0.152 56.128 56.048 -0.120 0.000 1.126 840 H CB 2.078 31.578 29.762 -0.437 0.000 1.838 840 H HN 1.103 nan 8.280 nan 0.000 0.552 841 A N 1.330 124.140 122.820 -0.016 0.000 2.371 841 A HA 0.484 4.812 4.320 0.012 0.000 0.311 841 A C -1.370 176.240 177.584 0.043 0.000 1.068 841 A CA -0.733 51.382 52.037 0.131 0.000 0.744 841 A CB 1.205 20.260 19.000 0.092 0.000 1.239 841 A HN 0.560 nan 8.150 nan 0.000 0.435 842 W N 2.497 123.956 121.300 0.265 0.000 2.349 842 W HA 0.399 5.067 4.660 0.012 0.000 0.309 842 W C -0.318 176.283 176.519 0.138 0.000 1.083 842 W CA -0.208 57.307 57.345 0.283 0.000 1.224 842 W CB 1.444 31.196 29.460 0.487 0.000 1.256 842 W HN 0.765 nan 8.180 nan 0.000 0.461 843 Q N 2.452 122.430 119.800 0.296 0.000 2.433 843 Q HA 0.505 4.852 4.340 0.012 0.000 0.279 843 Q C -0.884 175.285 176.000 0.282 0.000 1.105 843 Q CA -0.959 54.968 55.803 0.207 0.000 0.815 843 Q CB 3.556 32.368 28.738 0.122 0.000 1.403 843 Q HN 0.427 nan 8.270 nan 0.000 0.435 844 H N 0.932 120.061 119.070 0.099 0.000 3.137 844 H HA 0.051 4.614 4.556 0.012 0.000 0.336 844 H C -1.026 174.347 175.328 0.075 0.000 1.055 844 H CA -0.122 55.990 56.048 0.106 0.000 1.349 844 H CB 1.430 31.279 29.762 0.143 0.000 1.939 844 H HN 0.770 nan 8.280 nan 0.000 0.487 845 Q N 2.933 122.540 119.800 -0.322 0.000 2.481 845 Q HA -0.162 4.185 4.340 0.012 0.000 0.272 845 Q C 0.835 176.806 176.000 -0.048 0.000 1.157 845 Q CA 2.055 57.716 55.803 -0.237 0.000 0.935 845 Q CB -1.594 26.974 28.738 -0.282 0.000 1.338 845 Q HN 1.304 nan 8.270 nan 0.000 0.494 846 G N -0.040 108.756 108.800 -0.007 0.000 2.295 846 G HA2 -0.362 3.605 3.960 0.012 0.000 0.287 846 G HA3 -0.362 3.605 3.960 0.012 0.000 0.287 846 G C -0.231 174.692 174.900 0.039 0.000 1.055 846 G CA 0.715 45.828 45.100 0.022 0.000 0.922 846 G HN 0.501 nan 8.290 nan 0.000 0.503 847 K N 0.179 120.619 120.400 0.066 0.000 2.507 847 K HA 0.606 4.933 4.320 0.012 0.000 0.252 847 K C 0.184 176.814 176.600 0.051 0.000 0.943 847 K CA -0.569 55.752 56.287 0.056 0.000 0.808 847 K CB 1.194 33.735 32.500 0.068 0.000 1.142 847 K HN -0.002 nan 8.250 nan 0.000 0.426 848 T N 5.525 120.096 114.554 0.028 0.000 2.834 848 T HA 0.141 4.498 4.350 0.012 0.000 0.298 848 T C 1.124 175.773 174.700 -0.084 0.000 0.966 848 T CA -0.216 61.897 62.100 0.022 0.000 1.141 848 T CB 0.412 69.307 68.868 0.045 0.000 0.905 848 T HN 0.561 nan 8.240 nan 0.000 0.535 849 L N 2.059 123.162 121.223 -0.201 0.000 2.189 849 L HA 0.337 4.684 4.340 0.012 0.000 0.199 849 L C 0.007 176.350 176.870 -0.878 0.000 1.074 849 L CA 0.817 55.244 54.840 -0.689 0.000 0.783 849 L CB 0.060 41.383 42.059 -1.227 0.000 0.955 849 L HN 0.526 nan 8.230 nan 0.000 0.460 850 F N -1.276 118.641 119.950 -0.055 0.000 2.620 850 F HA 0.603 5.137 4.527 0.012 0.000 0.320 850 F C -0.457 175.463 175.800 0.200 0.000 1.069 850 F CA -0.824 57.103 58.000 -0.122 0.000 0.953 850 F CB 2.034 40.617 39.000 -0.694 0.000 1.322 850 F HN -0.339 nan 8.300 nan 0.000 0.479 851 I N 1.227 122.055 120.570 0.430 0.000 2.548 851 I HA 0.256 4.433 4.170 0.012 0.000 0.287 851 I C -1.128 175.272 176.117 0.472 0.000 1.103 851 I CA -0.371 61.199 61.300 0.449 0.000 1.049 851 I CB 2.178 40.342 38.000 0.274 0.000 1.232 851 I HN 0.532 nan 8.210 nan 0.000 0.429 852 S N 6.945 123.030 115.700 0.642 0.000 2.456 852 S HA 0.554 5.031 4.470 0.012 0.000 0.316 852 S C -0.603 174.245 174.600 0.414 0.000 1.089 852 S CA -0.705 57.821 58.200 0.544 0.000 1.101 852 S CB 0.605 64.208 63.200 0.672 0.000 0.995 852 S HN 0.528 nan 8.310 nan 0.000 0.468 853 R N 4.060 124.724 120.500 0.274 0.000 2.265 853 R HA 0.481 4.829 4.340 0.012 0.000 0.328 853 R C -0.563 175.816 176.300 0.131 0.000 0.969 853 R CA -0.654 55.565 56.100 0.198 0.000 0.832 853 R CB 1.403 31.793 30.300 0.149 0.000 1.139 853 R HN 0.529 nan 8.270 nan 0.000 0.457 854 K N 0.781 121.267 120.400 0.143 0.000 2.352 854 K HA 0.499 4.826 4.320 0.012 0.000 0.240 854 K C -0.408 176.204 176.600 0.020 0.000 1.017 854 K CA -0.890 55.414 56.287 0.029 0.000 0.851 854 K CB 2.331 34.842 32.500 0.017 0.000 1.261 854 K HN 0.547 nan 8.250 nan 0.000 0.451 855 T N -0.824 113.647 114.554 -0.137 0.000 3.109 855 T HA 0.420 4.777 4.350 0.012 0.000 0.311 855 T C -1.563 173.018 174.700 -0.198 0.000 1.011 855 T CA -0.744 61.320 62.100 -0.061 0.000 1.026 855 T CB 0.186 69.044 68.868 -0.017 0.000 1.047 855 T HN 0.368 nan 8.240 nan 0.000 0.448 856 Y N 2.379 122.650 120.300 -0.047 0.000 2.330 856 Y HA 0.662 5.219 4.550 0.012 0.000 0.336 856 Y C 0.851 176.678 175.900 -0.121 0.000 1.036 856 Y CA -1.152 56.922 58.100 -0.043 0.000 1.125 856 Y CB 1.482 39.917 38.460 -0.041 0.000 1.194 856 Y HN 0.620 nan 8.280 nan 0.000 0.469 857 R N 4.322 124.843 120.500 0.034 0.000 2.472 857 R HA 0.445 4.792 4.340 0.012 0.000 0.294 857 R C -1.878 174.364 176.300 -0.096 0.000 1.243 857 R CA -0.740 55.334 56.100 -0.043 0.000 1.023 857 R CB 0.286 30.567 30.300 -0.030 0.000 1.157 857 R HN 0.628 nan 8.270 nan 0.000 0.530 858 I N 4.367 124.823 120.570 -0.191 0.000 2.395 858 I HA 0.161 4.338 4.170 0.012 0.000 0.289 858 I C 0.617 176.645 176.117 -0.149 0.000 1.023 858 I CA -0.260 60.867 61.300 -0.288 0.000 1.350 858 I CB 0.914 38.528 38.000 -0.644 0.000 1.409 858 I HN 0.562 nan 8.210 nan 0.000 0.507 859 D N 3.654 124.003 120.400 -0.084 0.000 2.621 859 D HA 0.331 4.978 4.640 0.012 0.000 0.255 859 D C 1.103 177.430 176.300 0.045 0.000 1.122 859 D CA -0.617 53.374 54.000 -0.014 0.000 1.096 859 D CB 0.793 41.590 40.800 -0.005 0.000 1.282 859 D HN 0.481 nan 8.370 nan 0.000 0.619 860 G N -0.763 108.071 108.800 0.055 0.000 2.470 860 G HA2 -0.167 3.800 3.960 0.012 0.000 0.220 860 G HA3 -0.167 3.800 3.960 0.012 0.000 0.220 860 G C 1.134 176.154 174.900 0.199 0.000 1.121 860 G CA 0.765 45.934 45.100 0.115 0.000 0.766 860 G HN 0.428 nan 8.290 nan 0.000 0.553 861 S N -0.124 115.661 115.700 0.141 0.000 2.527 861 S HA 0.296 4.773 4.470 0.012 0.000 0.222 861 S C 1.804 176.513 174.600 0.182 0.000 0.985 861 S CA 0.707 59.016 58.200 0.182 0.000 0.921 861 S CB 0.029 63.297 63.200 0.113 0.000 0.772 861 S HN 1.231 nan 8.310 nan 0.000 0.529 862 G N 1.433 110.348 108.800 0.190 0.000 2.160 862 G HA2 -0.234 3.733 3.960 0.012 0.000 0.244 862 G HA3 -0.234 3.733 3.960 0.012 0.000 0.244 862 G C -0.325 174.732 174.900 0.262 0.000 1.022 862 G CA -0.252 45.017 45.100 0.281 0.000 0.741 862 G HN 0.504 nan 8.290 nan 0.000 0.508 863 Q N -0.820 119.071 119.800 0.151 0.000 2.312 863 Q HA 0.701 5.049 4.340 0.012 0.000 0.263 863 Q C 0.135 176.162 176.000 0.045 0.000 0.995 863 Q CA -0.660 55.222 55.803 0.131 0.000 0.853 863 Q CB 1.937 30.744 28.738 0.116 0.000 1.300 863 Q HN 0.459 nan 8.270 nan 0.000 0.448 864 M N 1.677 121.319 119.600 0.070 0.000 2.294 864 M HA 0.648 5.135 4.480 0.012 0.000 0.335 864 M C -1.442 174.929 176.300 0.118 0.000 1.079 864 M CA -0.559 54.745 55.300 0.007 0.000 0.982 864 M CB 1.253 33.809 32.600 -0.073 0.000 1.651 864 M HN 0.705 nan 8.290 nan 0.000 0.437 865 A N 6.383 129.246 122.820 0.071 0.000 2.412 865 A HA 0.578 4.905 4.320 0.012 0.000 0.334 865 A C -0.854 176.737 177.584 0.012 0.000 1.419 865 A CA -0.636 51.444 52.037 0.071 0.000 0.930 865 A CB -0.327 18.701 19.000 0.046 0.000 1.149 865 A HN 0.808 nan 8.150 nan 0.000 0.515 866 I N 1.917 122.496 120.570 0.016 0.000 2.474 866 I HA 0.331 4.508 4.170 0.012 0.000 0.287 866 I C 0.461 176.461 176.117 -0.195 0.000 1.048 866 I CA 0.872 62.059 61.300 -0.188 0.000 1.383 866 I CB 1.647 39.534 38.000 -0.190 0.000 1.412 866 I HN 0.528 nan 8.210 nan 0.000 0.531 867 T N 5.178 119.558 114.554 -0.291 0.000 2.841 867 T HA 0.680 5.037 4.350 0.012 0.000 0.285 867 T C -0.645 173.830 174.700 -0.374 0.000 0.991 867 T CA -0.619 61.313 62.100 -0.280 0.000 0.966 867 T CB 1.463 70.246 68.868 -0.141 0.000 0.962 867 T HN 0.206 nan 8.240 nan 0.000 0.438 868 V N 2.413 121.978 119.914 -0.582 0.000 2.588 868 V HA 0.556 4.683 4.120 0.012 0.000 0.304 868 V C -0.945 174.933 176.094 -0.360 0.000 1.042 868 V CA -0.876 61.093 62.300 -0.552 0.000 0.877 868 V CB 2.103 33.330 31.823 -0.994 0.000 0.996 868 V HN 0.915 nan 8.190 nan 0.000 0.425 869 D N 2.433 122.798 120.400 -0.058 0.000 2.389 869 D HA 0.512 5.159 4.640 0.012 0.000 0.256 869 D C -0.527 175.895 176.300 0.203 0.000 1.239 869 D CA -0.138 53.930 54.000 0.114 0.000 0.925 869 D CB 1.796 42.687 40.800 0.152 0.000 1.145 869 D HN 0.416 nan 8.370 nan 0.000 0.542 870 V N 1.085 121.162 119.914 0.272 0.000 2.644 870 V HA 0.489 4.616 4.120 0.012 0.000 0.295 870 V C 0.377 176.619 176.094 0.247 0.000 1.053 870 V CA -0.661 61.820 62.300 0.302 0.000 0.987 870 V CB 1.624 33.660 31.823 0.355 0.000 1.006 870 V HN 0.359 nan 8.190 nan 0.000 0.472 871 E N 1.827 122.163 120.200 0.228 0.000 2.224 871 E HA 0.590 4.947 4.350 0.012 0.000 0.265 871 E C -1.576 175.131 176.600 0.178 0.000 0.878 871 E CA -0.606 55.900 56.400 0.177 0.000 0.759 871 E CB 2.436 32.222 29.700 0.144 0.000 1.164 871 E HN 0.560 nan 8.360 nan 0.000 0.414 872 V N 1.977 121.991 119.914 0.166 0.000 2.417 872 V HA 0.441 4.568 4.120 0.012 0.000 0.291 872 V C 0.263 176.400 176.094 0.071 0.000 1.024 872 V CA -1.049 61.338 62.300 0.145 0.000 0.861 872 V CB 1.370 33.323 31.823 0.217 0.000 0.985 872 V HN 0.812 nan 8.190 nan 0.000 0.436 873 A N 3.550 126.352 122.820 -0.030 0.000 2.545 873 A HA 0.275 4.603 4.320 0.012 0.000 0.253 873 A C 1.721 179.333 177.584 0.047 0.000 1.074 873 A CA 0.572 52.600 52.037 -0.014 0.000 0.760 873 A CB 0.138 19.097 19.000 -0.069 0.000 1.005 873 A HN 1.410 nan 8.150 nan 0.000 0.506 874 S N 1.784 117.524 115.700 0.066 0.000 2.407 874 S HA -0.247 4.230 4.470 0.012 0.000 0.235 874 S C 0.938 175.597 174.600 0.097 0.000 1.036 874 S CA 1.868 60.128 58.200 0.100 0.000 1.013 874 S CB -0.556 62.689 63.200 0.075 0.000 0.820 874 S HN 0.826 nan 8.310 nan 0.000 0.476 875 D N -0.020 120.413 120.400 0.054 0.000 2.349 875 D HA 0.165 4.812 4.640 0.012 0.000 0.215 875 D C 0.691 177.009 176.300 0.030 0.000 1.016 875 D CA 0.249 54.269 54.000 0.033 0.000 0.870 875 D CB -0.467 40.345 40.800 0.019 0.000 0.917 875 D HN 0.322 nan 8.370 nan 0.000 0.524 876 T N 1.247 115.834 114.554 0.054 0.000 2.909 876 T HA 0.350 4.707 4.350 0.012 0.000 0.286 876 T C -2.574 172.223 174.700 0.161 0.000 1.002 876 T CA -2.288 59.870 62.100 0.096 0.000 1.074 876 T CB 0.867 69.775 68.868 0.066 0.000 0.984 876 T HN -0.165 nan 8.240 nan 0.000 0.495 877 P HA 0.010 nan 4.420 nan 0.000 0.260 877 P C -0.569 177.086 177.300 0.592 0.000 1.172 877 P CA 0.270 63.530 63.100 0.265 0.000 0.760 877 P CB -0.236 31.608 31.700 0.240 0.000 0.773 878 H N 4.629 124.087 119.070 0.647 0.000 3.192 878 H HA 0.010 4.573 4.556 0.012 0.000 0.295 878 H C -1.477 174.162 175.328 0.519 0.000 0.943 878 H CA -1.187 55.153 56.048 0.488 0.000 1.416 878 H CB -0.588 29.390 29.762 0.360 0.000 1.434 878 H HN 0.395 nan 8.280 nan 0.000 0.565 879 P HA -0.079 nan 4.420 nan 0.000 0.267 879 P C 0.202 177.347 177.300 -0.258 0.000 1.200 879 P CA -0.008 63.084 63.100 -0.012 0.000 0.772 879 P CB 0.942 32.568 31.700 -0.123 0.000 0.855 880 A N 3.884 126.289 122.820 -0.691 0.000 1.968 880 A HA -0.076 4.251 4.320 0.012 0.000 0.217 880 A C 1.174 178.360 177.584 -0.664 0.000 1.169 880 A CA 1.120 52.711 52.037 -0.744 0.000 0.638 880 A CB -0.384 17.942 19.000 -1.124 0.000 0.812 880 A HN 0.746 nan 8.150 nan 0.000 0.446 881 R N -2.116 118.029 120.500 -0.592 0.000 2.752 881 R HA 0.722 5.069 4.340 0.012 0.000 0.271 881 R C -1.890 174.186 176.300 -0.374 0.000 1.026 881 R CA -0.839 54.939 56.100 -0.536 0.000 0.901 881 R CB 0.845 30.787 30.300 -0.597 0.000 1.243 881 R HN 0.041 nan 8.270 nan 0.000 0.463 882 I N 0.984 121.378 120.570 -0.294 0.000 2.542 882 I HA 0.559 4.736 4.170 0.012 0.000 0.278 882 I C -0.524 175.393 176.117 -0.333 0.000 1.069 882 I CA -0.473 60.710 61.300 -0.196 0.000 1.100 882 I CB 1.738 39.711 38.000 -0.045 0.000 1.204 882 I HN 1.000 nan 8.210 nan 0.000 0.470 883 G N 4.905 113.460 108.800 -0.409 0.000 2.488 883 G HA2 0.691 4.658 3.960 0.012 0.000 0.301 883 G HA3 0.691 4.658 3.960 0.012 0.000 0.301 883 G C -1.497 173.226 174.900 -0.296 0.000 1.339 883 G CA -0.652 44.221 45.100 -0.377 0.000 0.803 883 G HN 0.280 nan 8.290 nan 0.000 0.482 884 L N -0.229 120.884 121.223 -0.184 0.000 2.341 884 L HA 0.841 5.188 4.340 0.012 0.000 0.267 884 L C -0.011 176.744 176.870 -0.192 0.000 1.022 884 L CA -1.126 53.611 54.840 -0.173 0.000 0.844 884 L CB 1.724 43.761 42.059 -0.036 0.000 1.436 884 L HN 0.837 nan 8.230 nan 0.000 0.483 885 N N -0.704 117.912 118.700 -0.139 0.000 2.961 885 N HA 0.667 5.414 4.740 0.012 0.000 0.245 885 N C -1.362 174.153 175.510 0.008 0.000 1.404 885 N CA -0.321 52.680 53.050 -0.082 0.000 0.880 885 N CB 1.931 40.372 38.487 -0.076 0.000 1.461 885 N HN 1.103 nan 8.380 nan 0.000 0.510 886 C N -2.003 117.348 119.300 0.085 0.000 3.176 886 C HA 0.500 4.967 4.460 0.012 0.000 0.343 886 C C -1.495 173.401 174.990 -0.155 0.000 1.332 886 C CA -0.830 58.205 59.018 0.028 0.000 1.200 886 C CB 1.111 28.854 27.740 0.004 0.000 1.440 886 C HN 0.778 nan 8.230 nan 0.000 0.458 887 Q N 1.307 120.812 119.800 -0.492 0.000 2.466 887 Q HA 0.545 4.892 4.340 0.012 0.000 0.242 887 Q C -0.748 174.994 176.000 -0.429 0.000 1.046 887 Q CA -0.218 55.088 55.803 -0.828 0.000 0.841 887 Q CB 0.927 28.870 28.738 -1.324 0.000 1.193 887 Q HN 0.699 nan 8.270 nan 0.000 0.508 888 L N 1.130 122.188 121.223 -0.274 0.000 2.461 888 L HA 0.098 4.445 4.340 0.012 0.000 0.272 888 L C 1.333 178.119 176.870 -0.140 0.000 1.197 888 L CA -0.031 54.733 54.840 -0.127 0.000 0.836 888 L CB 0.522 42.588 42.059 0.011 0.000 1.105 888 L HN 0.660 nan 8.230 nan 0.000 0.477 889 A N 1.624 124.386 122.820 -0.096 0.000 1.970 889 A HA -0.057 4.270 4.320 0.012 0.000 0.216 889 A C 1.138 178.697 177.584 -0.042 0.000 1.170 889 A CA 0.361 52.340 52.037 -0.097 0.000 0.645 889 A CB -0.213 18.721 19.000 -0.111 0.000 0.816 889 A HN 0.740 nan 8.150 nan 0.000 0.447 890 Q N -0.028 119.781 119.800 0.016 0.000 2.330 890 Q HA 0.342 4.689 4.340 0.012 0.000 0.279 890 Q C -1.031 175.009 176.000 0.065 0.000 1.024 890 Q CA 0.700 56.523 55.803 0.034 0.000 0.900 890 Q CB 0.665 29.453 28.738 0.084 0.000 1.221 890 Q HN 0.121 nan 8.270 nan 0.000 0.396 891 V N 4.360 124.280 119.914 0.010 0.000 2.385 891 V HA 0.670 4.797 4.120 0.012 0.000 0.277 891 V C -0.283 175.795 176.094 -0.026 0.000 1.012 891 V CA -0.097 62.232 62.300 0.047 0.000 0.832 891 V CB 0.798 32.631 31.823 0.017 0.000 1.028 891 V HN 0.940 nan 8.190 nan 0.000 0.436 892 A N 3.757 126.508 122.820 -0.115 0.000 2.378 892 A HA 0.768 5.095 4.320 0.012 0.000 0.293 892 A C 0.861 178.426 177.584 -0.032 0.000 1.250 892 A CA 0.318 52.210 52.037 -0.242 0.000 0.915 892 A CB 0.841 19.411 19.000 -0.718 0.000 1.402 892 A HN 0.915 nan 8.150 nan 0.000 0.502 893 E N -1.584 118.600 120.200 -0.027 0.000 2.508 893 E HA 0.181 4.538 4.350 0.012 0.000 0.217 893 E C 0.180 176.841 176.600 0.102 0.000 0.896 893 E CA -0.230 56.200 56.400 0.049 0.000 1.118 893 E CB 0.376 30.088 29.700 0.020 0.000 1.133 893 E HN 0.434 nan 8.360 nan 0.000 0.526 894 R N 0.368 120.938 120.500 0.117 0.000 2.867 894 R HA 0.631 4.978 4.340 0.012 0.000 0.268 894 R C -1.219 175.249 176.300 0.280 0.000 1.014 894 R CA -1.030 55.174 56.100 0.173 0.000 0.946 894 R CB 2.264 32.639 30.300 0.125 0.000 1.208 894 R HN -0.034 nan 8.270 nan 0.000 0.477 895 V N 1.642 121.744 119.914 0.314 0.000 2.588 895 V HA 0.402 4.529 4.120 0.012 0.000 0.304 895 V C -0.403 175.984 176.094 0.488 0.000 1.042 895 V CA -0.923 61.618 62.300 0.401 0.000 0.877 895 V CB 2.064 34.092 31.823 0.342 0.000 0.996 895 V HN 0.696 nan 8.190 nan 0.000 0.425 896 N N 4.040 123.015 118.700 0.459 0.000 2.296 896 N HA 0.568 5.315 4.740 0.012 0.000 0.294 896 N C -1.495 174.312 175.510 0.495 0.000 1.033 896 N CA -0.406 52.878 53.050 0.390 0.000 0.839 896 N CB 2.872 41.464 38.487 0.175 0.000 1.395 896 N HN 0.836 nan 8.380 nan 0.000 0.479 897 W N 3.056 124.405 121.300 0.083 0.000 3.146 897 W HA 0.521 5.188 4.660 0.011 0.000 0.319 897 W C -2.223 174.273 176.519 -0.038 0.000 1.258 897 W CA -1.091 56.282 57.345 0.047 0.000 1.189 897 W CB 0.635 30.153 29.460 0.097 0.000 1.412 897 W HN 0.279 nan 8.180 nan 0.000 0.567 898 L N 4.130 125.325 121.223 -0.047 0.000 2.313 898 L HA 0.929 5.276 4.340 0.012 0.000 0.273 898 L C -0.068 176.643 176.870 -0.265 0.000 1.028 898 L CA 0.390 55.009 54.840 -0.368 0.000 0.871 898 L CB 0.624 42.530 42.059 -0.255 0.000 1.242 898 L HN 1.003 nan 8.230 nan 0.000 0.434 899 G N 3.719 112.279 108.800 -0.399 0.000 2.435 899 G HA2 0.270 4.237 3.960 0.012 0.000 0.296 899 G HA3 0.270 4.237 3.960 0.012 0.000 0.296 899 G C -1.643 173.344 174.900 0.145 0.000 1.240 899 G CA -0.999 44.108 45.100 0.012 0.000 0.872 899 G HN 0.378 nan 8.290 nan 0.000 0.480 900 L N 1.197 122.614 121.223 0.322 0.000 2.290 900 L HA 0.676 5.023 4.340 0.012 0.000 0.284 900 L C 0.925 177.880 176.870 0.142 0.000 1.078 900 L CA 0.298 55.273 54.840 0.226 0.000 0.815 900 L CB 0.715 42.842 42.059 0.113 0.000 1.162 900 L HN 1.057 nan 8.230 nan 0.000 0.435 901 G N 2.859 111.548 108.800 -0.186 0.000 2.500 901 G HA2 0.278 4.245 3.960 0.012 0.000 0.299 901 G HA3 0.278 4.245 3.960 0.012 0.000 0.299 901 G C -2.691 171.398 174.900 -1.352 0.000 1.242 901 G CA -0.265 44.371 45.100 -0.773 0.000 0.859 901 G HN 0.285 nan 8.290 nan 0.000 0.481 902 P HA 0.073 nan 4.420 nan 0.000 0.233 902 P C 0.167 177.203 177.300 -0.441 0.000 1.167 902 P CA 0.845 63.244 63.100 -1.169 0.000 0.770 902 P CB 0.158 31.356 31.700 -0.836 0.000 0.837 903 Q N 0.144 119.711 119.800 -0.387 0.000 2.237 903 Q HA 0.255 4.602 4.340 0.012 0.000 0.219 903 Q C 0.308 176.160 176.000 -0.246 0.000 0.999 903 Q CA -1.038 54.614 55.803 -0.250 0.000 0.959 903 Q CB -0.336 28.288 28.738 -0.190 0.000 1.173 903 Q HN 0.054 nan 8.270 nan 0.000 0.527 904 E N 0.596 120.668 120.200 -0.215 0.000 2.502 904 E HA -0.015 4.342 4.350 0.012 0.000 0.261 904 E C -0.992 175.484 176.600 -0.207 0.000 0.974 904 E CA 0.326 56.588 56.400 -0.230 0.000 0.936 904 E CB 0.163 29.815 29.700 -0.081 0.000 0.926 904 E HN 0.724 nan 8.360 nan 0.000 0.459 905 N N 2.469 120.945 118.700 -0.373 0.000 2.493 905 N HA 0.228 4.975 4.740 0.012 0.000 0.279 905 N C -1.820 173.420 175.510 -0.450 0.000 1.082 905 N CA -0.644 52.253 53.050 -0.255 0.000 0.963 905 N CB 0.526 38.908 38.487 -0.174 0.000 1.627 905 N HN 0.151 nan 8.380 nan 0.000 0.499 906 Y N 1.054 121.260 120.300 -0.157 0.000 2.567 906 Y HA 0.521 5.078 4.550 0.012 0.000 0.333 906 Y C -1.451 174.384 175.900 -0.107 0.000 1.106 906 Y CA -2.077 55.920 58.100 -0.170 0.000 1.157 906 Y CB 1.239 39.585 38.460 -0.189 0.000 1.277 906 Y HN 0.411 nan 8.280 nan 0.000 0.490 907 P HA -0.198 nan 4.420 nan 0.000 0.216 907 P C 0.368 177.639 177.300 -0.048 0.000 1.157 907 P CA 2.114 65.291 63.100 0.129 0.000 0.880 907 P CB 0.128 32.008 31.700 0.299 0.000 0.791 908 D N -1.974 118.179 120.400 -0.412 0.000 2.370 908 D HA 0.012 4.659 4.640 0.012 0.000 0.230 908 D C 0.542 176.668 176.300 -0.289 0.000 1.143 908 D CA 0.021 53.494 54.000 -0.877 0.000 0.834 908 D CB -0.287 39.783 40.800 -1.217 0.000 0.944 908 D HN 0.140 nan 8.370 nan 0.000 0.504 909 R N 0.976 121.420 120.500 -0.093 0.000 2.837 909 R HA 0.165 4.512 4.340 0.012 0.000 0.245 909 R C -0.671 175.648 176.300 0.032 0.000 1.712 909 R CA -0.143 55.960 56.100 0.006 0.000 1.539 909 R CB 0.194 30.509 30.300 0.026 0.000 1.490 909 R HN 0.089 nan 8.270 nan 0.000 0.667 910 L N -1.647 119.607 121.223 0.051 0.000 3.689 910 L HA 0.256 4.603 4.340 0.012 0.000 0.344 910 L C 1.522 178.436 176.870 0.074 0.000 1.221 910 L CA 0.345 55.213 54.840 0.046 0.000 1.171 910 L CB -0.414 41.665 42.059 0.033 0.000 1.540 910 L HN 0.148 nan 8.230 nan 0.000 0.631 911 T N -1.265 113.359 114.554 0.117 0.000 2.665 911 T HA -0.207 4.150 4.350 0.012 0.000 0.268 911 T C 1.943 176.654 174.700 0.020 0.000 1.035 911 T CA 2.179 64.368 62.100 0.149 0.000 1.151 911 T CB -0.675 68.353 68.868 0.267 0.000 0.862 911 T HN 0.429 nan 8.240 nan 0.000 0.438 912 A N 2.899 125.745 122.820 0.042 0.000 1.892 912 A HA 0.345 4.672 4.320 0.012 0.000 0.218 912 A C 1.886 179.523 177.584 0.087 0.000 1.188 912 A CA 1.355 53.387 52.037 -0.008 0.000 0.631 912 A CB -1.618 17.489 19.000 0.179 0.000 0.822 912 A HN 1.212 nan 8.150 nan 0.000 0.447 913 A N -1.392 121.435 122.820 0.013 0.000 2.587 913 A HA 0.272 4.599 4.320 0.012 0.000 0.235 913 A C 0.207 177.794 177.584 0.005 0.000 1.044 913 A CA 0.535 52.546 52.037 -0.043 0.000 0.754 913 A CB -0.518 18.456 19.000 -0.044 0.000 0.968 913 A HN 0.640 nan 8.150 nan 0.000 0.509 914 C N 2.430 121.725 119.300 -0.008 0.000 2.417 914 C HA 0.505 4.972 4.460 0.012 0.000 0.324 914 C C 0.052 175.170 174.990 0.214 0.000 1.240 914 C CA -0.529 58.551 59.018 0.104 0.000 1.632 914 C CB 0.416 28.220 27.740 0.106 0.000 2.241 914 C HN 0.802 nan 8.230 nan 0.000 0.499 915 F N 5.068 124.889 119.950 -0.214 0.000 2.466 915 F HA 0.405 4.939 4.527 0.012 0.000 0.363 915 F C 0.420 175.882 175.800 -0.562 0.000 1.109 915 F CA 1.252 58.976 58.000 -0.459 0.000 1.161 915 F CB -0.150 38.218 39.000 -1.053 0.000 1.117 915 F HN 0.596 nan 8.300 nan 0.000 0.539 916 D N 3.705 123.491 120.400 -1.024 0.000 2.738 916 D HA 0.186 4.833 4.640 0.012 0.000 0.308 916 D C -1.508 173.816 176.300 -1.628 0.000 1.311 916 D CA -0.786 52.444 54.000 -1.284 0.000 0.799 916 D CB 1.602 41.453 40.800 -1.582 0.000 1.332 916 D HN 0.534 nan 8.370 nan 0.000 0.441 917 R N 0.357 120.036 120.500 -1.368 0.000 2.349 917 R HA 0.595 4.942 4.340 0.012 0.000 0.299 917 R C -1.292 174.181 176.300 -1.379 0.000 1.027 917 R CA -0.208 55.211 56.100 -1.135 0.000 0.958 917 R CB 0.629 30.554 30.300 -0.626 0.000 1.047 917 R HN 0.335 nan 8.270 nan 0.000 0.468 918 W N 2.167 122.895 121.300 -0.953 0.000 3.032 918 W HA 0.380 5.047 4.660 0.012 0.000 0.335 918 W C -0.964 175.188 176.519 -0.612 0.000 1.154 918 W CA -0.743 56.040 57.345 -0.936 0.000 1.204 918 W CB 1.753 30.312 29.460 -1.501 0.000 1.416 918 W HN 0.385 nan 8.180 nan 0.000 0.521 919 D N 2.599 122.987 120.400 -0.020 0.000 2.757 919 D HA 0.669 5.316 4.640 0.012 0.000 0.249 919 D C -1.352 175.066 176.300 0.196 0.000 1.168 919 D CA -0.184 53.893 54.000 0.128 0.000 0.870 919 D CB 1.481 42.313 40.800 0.052 0.000 1.411 919 D HN 0.467 nan 8.370 nan 0.000 0.525 920 L N 2.899 124.292 121.223 0.283 0.000 2.540 920 L HA 0.432 4.779 4.340 0.012 0.000 0.256 920 L C -2.548 174.438 176.870 0.193 0.000 1.001 920 L CA -1.986 52.986 54.840 0.220 0.000 0.843 920 L CB 2.810 45.022 42.059 0.254 0.000 1.436 920 L HN 0.180 nan 8.230 nan 0.000 0.410 921 P HA 0.063 nan 4.420 nan 0.000 0.271 921 P C 0.648 178.023 177.300 0.124 0.000 1.216 921 P CA -0.324 62.847 63.100 0.118 0.000 0.776 921 P CB 1.042 32.791 31.700 0.082 0.000 0.881 922 L N 3.625 124.931 121.223 0.139 0.000 2.151 922 L HA -0.301 4.046 4.340 0.012 0.000 0.215 922 L C 2.253 179.176 176.870 0.089 0.000 1.084 922 L CA 2.762 57.678 54.840 0.125 0.000 0.764 922 L CB -1.175 40.978 42.059 0.157 0.000 0.891 922 L HN 0.457 nan 8.230 nan 0.000 0.435 923 S N -1.904 113.848 115.700 0.086 0.000 2.383 923 S HA -0.145 4.332 4.470 0.012 0.000 0.227 923 S C 1.507 176.162 174.600 0.092 0.000 1.026 923 S CA 1.041 59.298 58.200 0.096 0.000 0.981 923 S CB -0.667 62.580 63.200 0.078 0.000 0.818 923 S HN 0.499 nan 8.310 nan 0.000 0.472 924 D N 1.077 121.514 120.400 0.061 0.000 2.352 924 D HA 0.132 4.779 4.640 0.012 0.000 0.232 924 D C 0.794 177.089 176.300 -0.008 0.000 1.055 924 D CA 0.404 54.417 54.000 0.021 0.000 0.891 924 D CB -0.062 40.751 40.800 0.020 0.000 0.897 924 D HN 0.356 nan 8.370 nan 0.000 0.529 925 M N -0.471 119.140 119.600 0.017 0.000 2.431 925 M HA 0.098 4.585 4.480 0.012 0.000 0.237 925 M C -0.244 176.062 176.300 0.010 0.000 1.130 925 M CA -0.259 55.016 55.300 -0.042 0.000 1.002 925 M CB -0.795 31.774 32.600 -0.051 0.000 1.524 925 M HN -0.047 nan 8.290 nan 0.000 0.482 926 Y N 0.088 120.340 120.300 -0.079 0.000 2.361 926 Y HA 0.512 5.070 4.550 0.012 0.000 0.337 926 Y C -0.828 174.996 175.900 -0.125 0.000 0.965 926 Y CA -1.066 56.999 58.100 -0.058 0.000 1.091 926 Y CB 1.306 39.796 38.460 0.049 0.000 1.182 926 Y HN -0.038 nan 8.280 nan 0.000 0.450 927 T N 8.624 122.665 114.554 -0.855 0.000 2.853 927 T HA 0.247 4.604 4.350 0.012 0.000 0.317 927 T C -2.430 171.488 174.700 -1.304 0.000 1.059 927 T CA -1.598 59.883 62.100 -1.032 0.000 0.954 927 T CB 0.969 69.330 68.868 -0.844 0.000 0.994 927 T HN 0.471 nan 8.240 nan 0.000 0.479 928 P HA -0.024 nan 4.420 nan 0.000 0.288 928 P C -0.375 176.734 177.300 -0.319 0.000 1.448 928 P CA -0.141 62.463 63.100 -0.826 0.000 0.764 928 P CB -0.940 30.383 31.700 -0.630 0.000 1.472 929 Y N -0.455 119.751 120.300 -0.156 0.000 2.804 929 Y HA -0.104 4.453 4.550 0.012 0.000 0.338 929 Y C 2.220 178.145 175.900 0.042 0.000 1.252 929 Y CA -0.437 57.648 58.100 -0.024 0.000 1.576 929 Y CB -0.190 38.203 38.460 -0.112 0.000 1.223 929 Y HN -0.195 nan 8.280 nan 0.000 0.536 930 V N 3.672 123.761 119.914 0.293 0.000 2.277 930 V HA -0.362 3.765 4.120 0.012 0.000 0.255 930 V C 0.850 177.080 176.094 0.226 0.000 1.074 930 V CA 1.690 64.143 62.300 0.254 0.000 1.058 930 V CB -0.657 31.356 31.823 0.316 0.000 0.656 930 V HN 0.642 nan 8.190 nan 0.000 0.449 931 F N 3.554 123.550 119.950 0.077 0.000 2.368 931 F HA 0.432 4.967 4.527 0.012 0.000 0.362 931 F C -2.255 173.550 175.800 0.008 0.000 1.137 931 F CA -3.288 54.709 58.000 -0.005 0.000 1.161 931 F CB 0.509 39.407 39.000 -0.169 0.000 1.265 931 F HN 0.028 nan 8.300 nan 0.000 0.530 932 P HA 0.165 nan 4.420 nan 0.000 0.267 932 P C -1.005 176.031 177.300 -0.440 0.000 1.205 932 P CA 0.146 63.010 63.100 -0.394 0.000 0.765 932 P CB 1.194 32.702 31.700 -0.320 0.000 0.828 933 S N 0.664 116.282 115.700 -0.136 0.000 2.656 933 S HA 0.457 4.934 4.470 0.012 0.000 0.273 933 S C -0.677 173.927 174.600 0.006 0.000 1.168 933 S CA -0.972 57.185 58.200 -0.071 0.000 0.817 933 S CB 0.823 64.005 63.200 -0.030 0.000 1.146 933 S HN 0.314 nan 8.310 nan 0.000 0.475 934 E N 1.205 121.413 120.200 0.014 0.000 2.760 934 E HA 0.220 4.577 4.350 0.012 0.000 0.268 934 E C -0.130 176.532 176.600 0.103 0.000 0.935 934 E CA 1.201 57.633 56.400 0.054 0.000 0.960 934 E CB -0.432 29.317 29.700 0.081 0.000 0.931 934 E HN 0.837 nan 8.360 nan 0.000 0.483 935 N N 1.239 120.033 118.700 0.157 0.000 3.116 935 N HA 0.482 5.229 4.740 0.012 0.000 0.244 935 N C 0.242 175.803 175.510 0.084 0.000 1.485 935 N CA -0.617 52.571 53.050 0.230 0.000 0.884 935 N CB 0.709 39.352 38.487 0.260 0.000 1.415 935 N HN 0.783 nan 8.380 nan 0.000 0.524 936 G N -1.031 107.773 108.800 0.007 0.000 2.166 936 G HA2 -0.295 3.672 3.960 0.012 0.000 0.260 936 G HA3 -0.295 3.672 3.960 0.012 0.000 0.260 936 G C -0.080 174.539 174.900 -0.467 0.000 0.986 936 G CA 0.590 45.565 45.100 -0.208 0.000 0.683 936 G HN 0.765 nan 8.290 nan 0.000 0.527 937 L N -0.377 120.490 121.223 -0.594 0.000 2.506 937 L HA 0.570 4.917 4.340 0.012 0.000 0.281 937 L C 0.676 176.974 176.870 -0.954 0.000 1.228 937 L CA 0.480 54.785 54.840 -0.892 0.000 0.850 937 L CB 0.470 41.832 42.059 -1.162 0.000 1.110 937 L HN 0.250 nan 8.230 nan 0.000 0.496 938 R N 3.250 123.129 120.500 -1.036 0.000 2.500 938 R HA 0.396 4.743 4.340 0.012 0.000 0.299 938 R C -0.876 175.072 176.300 -0.586 0.000 1.038 938 R CA -0.391 55.197 56.100 -0.852 0.000 0.903 938 R CB 1.111 30.770 30.300 -1.068 0.000 1.177 938 R HN 0.715 nan 8.270 nan 0.000 0.455 939 C N 0.424 119.515 119.300 -0.349 0.000 2.480 939 C HA 0.589 5.056 4.460 0.012 0.000 0.344 939 C C 1.892 176.861 174.990 -0.036 0.000 1.380 939 C CA 0.221 59.132 59.018 -0.179 0.000 2.386 939 C CB 0.660 28.326 27.740 -0.123 0.000 2.210 939 C HN 1.068 nan 8.230 nan 0.000 0.640 940 G N 0.804 109.612 108.800 0.014 0.000 2.244 940 G HA2 -0.239 3.728 3.960 0.012 0.000 0.274 940 G HA3 -0.239 3.728 3.960 0.012 0.000 0.274 940 G C 0.137 175.112 174.900 0.125 0.000 1.002 940 G CA 0.851 46.017 45.100 0.110 0.000 0.740 940 G HN 0.860 nan 8.290 nan 0.000 0.516 941 T N 0.263 114.788 114.554 -0.048 0.000 2.902 941 T HA 0.330 4.687 4.350 0.012 0.000 0.301 941 T C 1.501 176.004 174.700 -0.328 0.000 1.012 941 T CA 0.009 62.039 62.100 -0.117 0.000 1.151 941 T CB 0.936 69.623 68.868 -0.301 0.000 0.946 941 T HN 0.225 nan 8.240 nan 0.000 0.542 942 R N 1.564 122.043 120.500 -0.035 0.000 2.307 942 R HA 0.301 4.648 4.340 0.012 0.000 0.200 942 R C 0.545 176.907 176.300 0.103 0.000 0.893 942 R CA 0.236 56.371 56.100 0.059 0.000 1.042 942 R CB 0.391 30.843 30.300 0.253 0.000 1.059 942 R HN 0.710 nan 8.270 nan 0.000 0.530 943 E N 0.339 120.599 120.200 0.099 0.000 2.381 943 E HA 0.286 4.643 4.350 0.012 0.000 0.286 943 E C -1.927 174.829 176.600 0.260 0.000 0.960 943 E CA -0.600 55.936 56.400 0.227 0.000 0.793 943 E CB 1.570 31.375 29.700 0.175 0.000 1.225 943 E HN -0.070 nan 8.360 nan 0.000 0.420 944 L N 4.179 125.619 121.223 0.362 0.000 2.439 944 L HA 0.572 4.919 4.340 0.012 0.000 0.270 944 L C -1.956 175.161 176.870 0.411 0.000 0.972 944 L CA -0.385 54.632 54.840 0.294 0.000 0.836 944 L CB 1.608 43.662 42.059 -0.008 0.000 1.255 944 L HN 0.386 nan 8.230 nan 0.000 0.404 945 N N 4.523 123.420 118.700 0.328 0.000 2.372 945 N HA 0.419 5.166 4.740 0.012 0.000 0.291 945 N C -1.838 173.924 175.510 0.419 0.000 1.024 945 N CA -0.267 52.982 53.050 0.332 0.000 0.873 945 N CB 2.027 40.631 38.487 0.195 0.000 1.206 945 N HN 0.610 nan 8.380 nan 0.000 0.486 946 Y N 0.799 121.280 120.300 0.302 0.000 2.361 946 Y HA 0.417 4.974 4.550 0.012 0.000 0.328 946 Y C 0.801 176.839 175.900 0.230 0.000 1.044 946 Y CA 0.153 58.413 58.100 0.267 0.000 1.085 946 Y CB 0.863 39.514 38.460 0.319 0.000 1.194 946 Y HN 0.853 nan 8.280 nan 0.000 0.438 947 G N 6.195 114.857 108.800 -0.229 0.000 2.622 947 G HA2 -0.312 3.655 3.960 0.012 0.000 0.307 947 G HA3 -0.312 3.655 3.960 0.012 0.000 0.307 947 G C -1.759 173.087 174.900 -0.089 0.000 1.226 947 G CA 0.260 45.239 45.100 -0.202 0.000 0.997 947 G HN 0.614 nan 8.290 nan 0.000 0.551 948 P HA 0.232 nan 4.420 nan 0.000 0.262 948 P C 0.081 177.136 177.300 -0.409 0.000 1.304 948 P CA 0.297 63.255 63.100 -0.237 0.000 0.859 948 P CB 0.086 31.615 31.700 -0.285 0.000 1.310 949 H N 0.781 119.801 119.070 -0.083 0.000 2.481 949 H HA 0.419 4.982 4.556 0.012 0.000 0.339 949 H C -0.111 174.934 175.328 -0.472 0.000 1.131 949 H CA 0.094 55.955 56.048 -0.312 0.000 1.301 949 H CB 1.815 31.270 29.762 -0.512 0.000 1.476 949 H HN 0.099 nan 8.280 nan 0.000 0.529 950 Q N 3.846 123.310 119.800 -0.560 0.000 2.285 950 Q HA 0.220 4.567 4.340 0.012 0.000 0.269 950 Q C -1.543 174.177 176.000 -0.466 0.000 1.030 950 Q CA -0.816 54.767 55.803 -0.366 0.000 0.788 950 Q CB 1.694 30.401 28.738 -0.051 0.000 1.266 950 Q HN 0.657 nan 8.270 nan 0.000 0.438 951 W N 3.776 125.065 121.300 -0.019 0.000 2.429 951 W HA 0.694 5.361 4.660 0.012 0.000 0.314 951 W C -0.405 176.219 176.519 0.176 0.000 1.062 951 W CA -1.182 56.126 57.345 -0.062 0.000 1.211 951 W CB 1.226 30.451 29.460 -0.391 0.000 1.305 951 W HN 0.412 nan 8.180 nan 0.000 0.476 952 R N 1.596 122.366 120.500 0.449 0.000 2.621 952 R HA 0.665 5.012 4.340 0.012 0.000 0.284 952 R C -0.057 176.497 176.300 0.423 0.000 0.998 952 R CA -0.217 56.136 56.100 0.421 0.000 0.895 952 R CB 2.181 32.644 30.300 0.271 0.000 1.195 952 R HN 0.914 nan 8.270 nan 0.000 0.450 953 G N 1.805 110.868 108.800 0.439 0.000 2.403 953 G HA2 -0.070 3.897 3.960 0.012 0.000 0.223 953 G HA3 -0.070 3.897 3.960 0.012 0.000 0.223 953 G C -1.857 173.213 174.900 0.283 0.000 1.287 953 G CA -0.647 44.671 45.100 0.363 0.000 0.982 953 G HN 0.486 nan 8.290 nan 0.000 0.471 954 D N 0.792 121.353 120.400 0.268 0.000 2.453 954 D HA 0.658 5.305 4.640 0.012 0.000 0.238 954 D C -0.786 175.589 176.300 0.124 0.000 1.088 954 D CA -0.119 53.952 54.000 0.118 0.000 0.854 954 D CB 0.900 41.762 40.800 0.104 0.000 1.076 954 D HN 0.513 nan 8.370 nan 0.000 0.533 955 F N 0.501 120.470 119.950 0.032 0.000 2.789 955 F HA 0.528 5.062 4.527 0.012 0.000 0.319 955 F C -1.516 174.277 175.800 -0.011 0.000 1.168 955 F CA -1.065 56.899 58.000 -0.059 0.000 0.934 955 F CB 0.900 39.851 39.000 -0.083 0.000 1.375 955 F HN -0.102 nan 8.300 nan 0.000 0.480 956 Q N 1.814 121.711 119.800 0.161 0.000 2.377 956 Q HA 0.673 5.020 4.340 0.012 0.000 0.271 956 Q C -1.312 174.810 176.000 0.204 0.000 1.077 956 Q CA -0.513 55.305 55.803 0.025 0.000 0.820 956 Q CB 2.780 31.448 28.738 -0.115 0.000 1.347 956 Q HN 0.912 nan 8.270 nan 0.000 0.444 957 F N -1.061 118.810 119.950 -0.133 0.000 2.745 957 F HA 0.820 5.354 4.527 0.012 0.000 0.316 957 F C -1.531 174.086 175.800 -0.305 0.000 1.155 957 F CA -1.024 56.871 58.000 -0.176 0.000 0.937 957 F CB 1.715 40.650 39.000 -0.109 0.000 1.361 957 F HN 0.589 nan 8.300 nan 0.000 0.472 958 N N 0.659 119.244 118.700 -0.192 0.000 2.598 958 N HA 0.599 5.346 4.740 0.012 0.000 0.263 958 N C -2.325 173.148 175.510 -0.061 0.000 1.254 958 N CA -0.646 52.239 53.050 -0.276 0.000 0.863 958 N CB 2.232 40.543 38.487 -0.293 0.000 1.586 958 N HN 1.144 nan 8.380 nan 0.000 0.491 959 I N 0.947 121.463 120.570 -0.089 0.000 2.563 959 I HA 0.576 4.753 4.170 0.012 0.000 0.285 959 I C -1.216 174.850 176.117 -0.085 0.000 1.123 959 I CA 0.066 61.297 61.300 -0.116 0.000 1.059 959 I CB 1.015 38.891 38.000 -0.205 0.000 1.229 959 I HN 0.889 nan 8.210 nan 0.000 0.442 960 S N 6.435 122.105 115.700 -0.050 0.000 2.900 960 S HA 0.637 5.114 4.470 0.012 0.000 0.320 960 S C 0.171 174.686 174.600 -0.141 0.000 1.130 960 S CA -1.007 57.154 58.200 -0.065 0.000 0.863 960 S CB 1.689 64.915 63.200 0.044 0.000 1.295 960 S HN 0.559 nan 8.310 nan 0.000 0.596 961 R N -0.068 120.173 120.500 -0.432 0.000 2.586 961 R HA 0.310 4.657 4.340 0.012 0.000 0.336 961 R C -1.347 174.456 176.300 -0.829 0.000 1.060 961 R CA 0.089 55.877 56.100 -0.521 0.000 1.079 961 R CB -0.395 29.594 30.300 -0.520 0.000 1.317 961 R HN 0.622 nan 8.270 nan 0.000 0.568 962 Y N -0.153 120.102 120.300 -0.075 0.000 2.361 962 Y HA 0.263 4.820 4.550 0.012 0.000 0.337 962 Y C 0.641 176.333 175.900 -0.346 0.000 0.965 962 Y CA -1.139 56.833 58.100 -0.214 0.000 1.091 962 Y CB 1.531 39.801 38.460 -0.316 0.000 1.182 962 Y HN -0.086 nan 8.280 nan 0.000 0.450 963 S N 1.624 117.059 115.700 -0.443 0.000 2.617 963 S HA 0.140 4.617 4.470 0.012 0.000 0.269 963 S C 0.764 175.044 174.600 -0.534 0.000 1.292 963 S CA -0.746 56.832 58.200 -1.037 0.000 1.010 963 S CB 1.284 63.873 63.200 -1.019 0.000 0.944 963 S HN 0.805 nan 8.310 nan 0.000 0.536 964 Q N 0.452 119.926 119.800 -0.545 0.000 2.124 964 Q HA -0.232 4.115 4.340 0.012 0.000 0.202 964 Q C 2.145 178.019 176.000 -0.210 0.000 0.977 964 Q CA 1.803 57.432 55.803 -0.289 0.000 0.850 964 Q CB -0.351 28.265 28.738 -0.204 0.000 0.901 964 Q HN 0.934 nan 8.270 nan 0.000 0.429 965 Q N 1.054 120.713 119.800 -0.236 0.000 2.084 965 Q HA -0.208 4.139 4.340 0.012 0.000 0.202 965 Q C 2.085 178.014 176.000 -0.117 0.000 0.978 965 Q CA 1.479 57.201 55.803 -0.136 0.000 0.844 965 Q CB 0.016 28.693 28.738 -0.101 0.000 0.898 965 Q HN 0.336 nan 8.270 nan 0.000 0.426 966 Q N -0.200 119.514 119.800 -0.143 0.000 2.002 966 Q HA -0.205 4.142 4.340 0.012 0.000 0.204 966 Q C 2.131 178.053 176.000 -0.130 0.000 0.988 966 Q CA 1.950 57.691 55.803 -0.104 0.000 0.843 966 Q CB -0.226 28.449 28.738 -0.106 0.000 0.908 966 Q HN 0.493 nan 8.270 nan 0.000 0.420 967 L N 0.210 121.337 121.223 -0.160 0.000 1.978 967 L HA -0.296 4.051 4.340 0.012 0.000 0.218 967 L C 2.799 179.558 176.870 -0.186 0.000 1.075 967 L CA 1.901 56.632 54.840 -0.183 0.000 0.767 967 L CB -0.640 41.334 42.059 -0.141 0.000 0.890 967 L HN 0.432 nan 8.230 nan 0.000 0.434 968 M N -0.293 119.223 119.600 -0.140 0.000 2.144 968 M HA -0.262 4.225 4.480 0.012 0.000 0.260 968 M C 1.938 178.176 176.300 -0.103 0.000 1.067 968 M CA 1.923 57.153 55.300 -0.117 0.000 1.095 968 M CB -0.076 32.462 32.600 -0.102 0.000 1.365 968 M HN 0.220 nan 8.290 nan 0.000 0.406 969 E N -0.625 119.521 120.200 -0.090 0.000 2.318 969 E HA 0.034 4.391 4.350 0.012 0.000 0.193 969 E C -0.003 176.568 176.600 -0.048 0.000 0.998 969 E CA 0.463 56.832 56.400 -0.052 0.000 0.859 969 E CB 0.265 29.947 29.700 -0.030 0.000 0.812 969 E HN 0.442 nan 8.360 nan 0.000 0.492 970 T N 0.788 115.287 114.554 -0.092 0.000 2.869 970 T HA 0.059 4.416 4.350 0.012 0.000 0.295 970 T C 1.283 175.917 174.700 -0.111 0.000 0.987 970 T CA -0.163 61.887 62.100 -0.083 0.000 1.109 970 T CB 1.575 70.377 68.868 -0.110 0.000 0.932 970 T HN 0.074 nan 8.240 nan 0.000 0.518 971 S N 1.957 117.680 115.700 0.038 0.000 2.421 971 S HA 0.047 4.524 4.470 0.012 0.000 0.224 971 S C 0.350 175.029 174.600 0.132 0.000 1.035 971 S CA 0.280 58.575 58.200 0.159 0.000 0.953 971 S CB -0.237 63.196 63.200 0.389 0.000 0.810 971 S HN 0.755 nan 8.310 nan 0.000 0.497 972 H N 0.422 119.540 119.070 0.080 0.000 2.731 972 H HA 0.577 5.141 4.556 0.012 0.000 0.368 972 H C 1.113 176.511 175.328 0.117 0.000 1.168 972 H CA -0.747 55.402 56.048 0.168 0.000 1.181 972 H CB 1.316 31.225 29.762 0.245 0.000 1.743 972 H HN 0.162 nan 8.280 nan 0.000 0.547 973 R N 0.916 121.587 120.500 0.285 0.000 2.148 973 R HA -0.121 4.226 4.340 0.012 0.000 0.227 973 R C 0.785 177.196 176.300 0.184 0.000 1.103 973 R CA 1.532 57.727 56.100 0.159 0.000 0.983 973 R CB -0.297 30.083 30.300 0.134 0.000 0.874 973 R HN 0.741 nan 8.270 nan 0.000 0.451 974 H N 0.657 119.741 119.070 0.023 0.000 2.551 974 H HA 0.114 4.677 4.556 0.012 0.000 0.266 974 H C 1.516 176.795 175.328 -0.083 0.000 0.977 974 H CA 0.341 56.373 56.048 -0.027 0.000 1.163 974 H CB -0.196 29.553 29.762 -0.022 0.000 1.381 974 H HN 0.276 nan 8.280 nan 0.000 0.581 975 L N 0.443 121.510 121.223 -0.261 0.000 2.477 975 L HA 0.193 4.540 4.340 0.012 0.000 0.220 975 L C 0.948 177.760 176.870 -0.098 0.000 1.106 975 L CA -0.075 54.583 54.840 -0.304 0.000 0.851 975 L CB 0.071 41.944 42.059 -0.310 0.000 0.994 975 L HN 0.080 nan 8.230 nan 0.000 0.462 976 L N 1.287 122.450 121.223 -0.099 0.000 2.483 976 L HA 0.049 4.396 4.340 0.012 0.000 0.276 976 L C 0.080 176.981 176.870 0.052 0.000 1.213 976 L CA 0.244 54.998 54.840 -0.143 0.000 0.843 976 L CB 0.250 42.012 42.059 -0.495 0.000 1.107 976 L HN 0.261 nan 8.230 nan 0.000 0.487 977 H N 1.371 120.537 119.070 0.159 0.000 2.771 977 H HA 0.547 5.110 4.556 0.012 0.000 0.361 977 H C -0.876 174.552 175.328 0.167 0.000 1.108 977 H CA -1.193 54.942 56.048 0.145 0.000 1.201 977 H CB 1.316 31.103 29.762 0.042 0.000 1.681 977 H HN 0.642 nan 8.280 nan 0.000 0.534 978 A N 3.593 126.431 122.820 0.030 0.000 2.492 978 A HA 0.139 4.466 4.320 0.012 0.000 0.254 978 A C 0.389 177.939 177.584 -0.056 0.000 1.091 978 A CA -0.281 51.609 52.037 -0.245 0.000 0.768 978 A CB -0.066 18.748 19.000 -0.310 0.000 1.028 978 A HN 0.820 nan 8.150 nan 0.000 0.498 979 E N 1.354 121.474 120.200 -0.134 0.000 2.351 979 E HA 0.165 4.522 4.350 0.012 0.000 0.255 979 E C -0.048 176.546 176.600 -0.010 0.000 1.188 979 E CA -0.634 55.799 56.400 0.055 0.000 0.940 979 E CB 0.640 30.431 29.700 0.152 0.000 1.094 979 E HN 0.759 nan 8.360 nan 0.000 0.474 980 E N 0.249 120.446 120.200 -0.004 0.000 2.415 980 E HA 0.137 4.494 4.350 0.012 0.000 0.262 980 E C 0.402 176.925 176.600 -0.128 0.000 1.038 980 E CA 0.573 56.938 56.400 -0.058 0.000 0.921 980 E CB 0.547 30.214 29.700 -0.056 0.000 0.950 980 E HN 0.680 nan 8.360 nan 0.000 0.438 981 G N 2.344 111.078 108.800 -0.110 0.000 2.726 981 G HA2 -0.259 3.708 3.960 0.012 0.000 0.261 981 G HA3 -0.259 3.708 3.960 0.012 0.000 0.261 981 G C -0.393 174.410 174.900 -0.162 0.000 1.352 981 G CA -0.013 45.010 45.100 -0.129 0.000 0.906 981 G HN 0.547 nan 8.290 nan 0.000 0.566 982 T N -0.330 114.136 114.554 -0.147 0.000 2.859 982 T HA 0.520 4.877 4.350 0.012 0.000 0.281 982 T C -0.602 173.957 174.700 -0.235 0.000 1.005 982 T CA -0.126 61.890 62.100 -0.140 0.000 1.025 982 T CB 1.632 70.485 68.868 -0.026 0.000 0.977 982 T HN 0.534 nan 8.240 nan 0.000 0.458 983 W N 2.707 123.894 121.300 -0.188 0.000 2.291 983 W HA 0.591 5.258 4.660 0.012 0.000 0.312 983 W C -0.540 175.836 176.519 -0.237 0.000 1.061 983 W CA -0.811 56.422 57.345 -0.186 0.000 1.296 983 W CB 0.899 30.264 29.460 -0.158 0.000 1.223 983 W HN 0.387 nan 8.180 nan 0.000 0.421 984 L N 5.611 126.836 121.223 0.004 0.000 2.307 984 L HA 0.520 4.867 4.340 0.012 0.000 0.284 984 L C -0.707 176.067 176.870 -0.161 0.000 1.023 984 L CA -0.248 54.473 54.840 -0.199 0.000 0.810 984 L CB 0.768 42.552 42.059 -0.459 0.000 1.231 984 L HN 0.308 nan 8.230 nan 0.000 0.423 985 N N 6.863 125.454 118.700 -0.182 0.000 2.448 985 N HA 0.462 5.209 4.740 0.012 0.000 0.279 985 N C -1.305 174.084 175.510 -0.201 0.000 1.025 985 N CA -0.247 52.696 53.050 -0.178 0.000 0.898 985 N CB 2.176 40.582 38.487 -0.135 0.000 1.303 985 N HN 0.506 nan 8.380 nan 0.000 0.495 986 I N 1.659 122.060 120.570 -0.282 0.000 2.389 986 I HA 0.283 4.460 4.170 0.012 0.000 0.288 986 I C -0.619 175.331 176.117 -0.279 0.000 0.999 986 I CA -0.632 60.477 61.300 -0.318 0.000 1.129 986 I CB 1.600 39.237 38.000 -0.606 0.000 1.288 986 I HN 0.191 nan 8.210 nan 0.000 0.444 987 D N 4.445 124.721 120.400 -0.206 0.000 2.350 987 D HA 0.288 4.935 4.640 0.012 0.000 0.245 987 D C 0.755 176.781 176.300 -0.458 0.000 1.036 987 D CA -0.354 53.449 54.000 -0.327 0.000 0.848 987 D CB 2.649 43.350 40.800 -0.165 0.000 1.307 987 D HN 0.714 nan 8.370 nan 0.000 0.469 988 G N 0.491 108.726 108.800 -0.942 0.000 2.838 988 G HA2 0.206 4.173 3.960 0.012 0.000 0.210 988 G HA3 0.206 4.173 3.960 0.012 0.000 0.210 988 G C -0.025 173.943 174.900 -1.553 0.000 1.153 988 G CA 0.215 44.587 45.100 -1.214 0.000 0.778 988 G HN 0.352 nan 8.290 nan 0.000 0.539 989 F N -2.261 117.547 119.950 -0.236 0.000 2.703 989 F HA 0.526 5.060 4.527 0.012 0.000 0.308 989 F C -0.766 174.953 175.800 -0.136 0.000 1.126 989 F CA -1.211 56.710 58.000 -0.132 0.000 0.959 989 F CB 1.796 40.654 39.000 -0.236 0.000 1.297 989 F HN 0.001 nan 8.300 nan 0.000 0.441 990 H N 1.447 120.558 119.070 0.068 0.000 3.026 990 H HA 0.509 5.072 4.556 0.012 0.000 0.352 990 H C -0.997 174.366 175.328 0.058 0.000 1.090 990 H CA -0.802 55.250 56.048 0.007 0.000 1.268 990 H CB 1.816 31.576 29.762 -0.002 0.000 1.816 990 H HN 0.792 nan 8.280 nan 0.000 0.518 991 M N 3.608 123.218 119.600 0.017 0.000 2.245 991 M HA 0.306 4.793 4.480 0.012 0.000 0.330 991 M C 0.537 176.989 176.300 0.253 0.000 1.098 991 M CA 0.562 55.920 55.300 0.097 0.000 1.172 991 M CB 0.448 33.004 32.600 -0.073 0.000 1.467 991 M HN 0.767 nan 8.290 nan 0.000 0.454 992 G N 2.926 111.839 108.800 0.189 0.000 2.683 992 G HA2 0.350 4.317 3.960 0.012 0.000 0.260 992 G HA3 0.350 4.317 3.960 0.012 0.000 0.260 992 G C 0.476 175.364 174.900 -0.020 0.000 1.238 992 G CA -0.238 44.911 45.100 0.081 0.000 0.934 992 G HN 0.999 nan 8.290 nan 0.000 0.534 993 I N -3.062 117.438 120.570 -0.117 0.000 4.187 993 I HA 0.460 4.637 4.170 0.012 0.000 0.326 993 I C 1.173 177.223 176.117 -0.112 0.000 1.302 993 I CA 0.429 61.628 61.300 -0.168 0.000 1.196 993 I CB -0.214 37.586 38.000 -0.333 0.000 1.095 993 I HN 0.971 nan 8.210 nan 0.000 0.411 994 G N 1.909 110.663 108.800 -0.078 0.000 2.569 994 G HA2 0.013 3.981 3.960 0.012 0.000 0.259 994 G HA3 0.013 3.981 3.960 0.012 0.000 0.259 994 G C 0.650 175.546 174.900 -0.007 0.000 1.263 994 G CA 0.331 45.421 45.100 -0.016 0.000 0.928 994 G HN 1.420 nan 8.290 nan 0.000 0.572 995 G N -2.380 106.428 108.800 0.014 0.000 2.613 995 G HA2 0.026 3.993 3.960 0.012 0.000 0.199 995 G HA3 0.026 3.993 3.960 0.012 0.000 0.199 995 G C 0.621 175.578 174.900 0.095 0.000 0.991 995 G CA 0.835 45.955 45.100 0.034 0.000 0.756 995 G HN 1.070 nan 8.290 nan 0.000 0.515 996 D N 1.230 121.700 120.400 0.117 0.000 2.228 996 D HA 0.171 4.818 4.640 0.012 0.000 0.203 996 D C 0.985 177.313 176.300 0.046 0.000 0.988 996 D CA 2.020 56.147 54.000 0.211 0.000 0.864 996 D CB 0.043 40.982 40.800 0.232 0.000 0.928 996 D HN 0.858 nan 8.370 nan 0.000 0.469 997 D N -3.719 116.520 120.400 -0.269 0.000 2.710 997 D HA 0.303 4.950 4.640 0.012 0.000 0.276 997 D C -0.649 175.192 176.300 -0.765 0.000 1.267 997 D CA -0.751 52.694 54.000 -0.925 0.000 0.772 997 D CB 0.664 40.415 40.800 -1.748 0.000 1.299 997 D HN -0.285 nan 8.370 nan 0.000 0.421 998 S N -0.745 114.318 115.700 -1.062 0.000 2.593 998 S HA 0.208 4.685 4.470 0.012 0.000 0.236 998 S C -0.192 174.422 174.600 0.023 0.000 0.991 998 S CA -0.512 57.545 58.200 -0.237 0.000 0.963 998 S CB -0.321 63.001 63.200 0.203 0.000 0.865 998 S HN 0.630 nan 8.310 nan 0.000 0.488 999 W N 1.319 122.576 121.300 -0.071 0.000 2.534 999 W HA 0.546 5.213 4.660 0.011 0.000 0.339 999 W C 0.204 176.687 176.519 -0.060 0.000 0.961 999 W CA -0.336 56.967 57.345 -0.070 0.000 1.545 999 W CB -0.413 28.934 29.460 -0.189 0.000 1.104 999 W HN 0.153 nan 8.180 nan 0.000 0.538 1000 S N -0.242 115.299 115.700 -0.264 0.000 2.627 1000 S HA 0.679 5.156 4.470 0.012 0.000 0.283 1000 S C -3.010 171.522 174.600 -0.114 0.000 1.127 1000 S CA -1.769 56.352 58.200 -0.130 0.000 0.863 1000 S CB 1.633 64.780 63.200 -0.088 0.000 1.121 1000 S HN -0.203 nan 8.310 nan 0.000 0.479 1001 P HA 0.206 nan 4.420 nan 0.000 0.264 1001 P C 0.260 177.600 177.300 0.066 0.000 1.229 1001 P CA -0.091 63.023 63.100 0.022 0.000 0.780 1001 P CB 0.504 32.139 31.700 -0.107 0.000 0.808 1002 S N 1.066 116.821 115.700 0.092 0.000 2.554 1002 S HA 0.131 4.609 4.470 0.012 0.000 0.226 1002 S C 0.466 175.143 174.600 0.128 0.000 0.980 1002 S CA -0.357 57.886 58.200 0.072 0.000 0.939 1002 S CB -0.197 63.004 63.200 0.001 0.000 0.832 1002 S HN 0.126 nan 8.310 nan 0.000 0.486 1003 V N 3.384 123.424 119.914 0.211 0.000 2.427 1003 V HA 0.358 4.485 4.120 0.012 0.000 0.268 1003 V C 0.754 177.002 176.094 0.256 0.000 1.046 1003 V CA -0.353 62.070 62.300 0.205 0.000 0.970 1003 V CB 0.820 32.712 31.823 0.114 0.000 1.001 1003 V HN 0.580 nan 8.190 nan 0.000 0.476 1004 S N 5.059 120.926 115.700 0.278 0.000 2.576 1004 S HA 0.364 4.841 4.470 0.012 0.000 0.276 1004 S C 1.528 176.286 174.600 0.263 0.000 1.339 1004 S CA 0.069 58.438 58.200 0.282 0.000 1.039 1004 S CB 1.413 64.782 63.200 0.283 0.000 0.902 1004 S HN 0.994 nan 8.310 nan 0.000 0.516 1005 A N 3.907 126.831 122.820 0.173 0.000 1.884 1005 A HA -0.196 4.131 4.320 0.012 0.000 0.219 1005 A C 2.121 179.726 177.584 0.035 0.000 1.197 1005 A CA 2.053 54.168 52.037 0.130 0.000 0.637 1005 A CB -1.160 17.891 19.000 0.085 0.000 0.827 1005 A HN 1.055 nan 8.150 nan 0.000 0.450 1006 E N -0.575 119.573 120.200 -0.087 0.000 2.393 1006 E HA -0.205 4.152 4.350 0.012 0.000 0.201 1006 E C 0.801 177.043 176.600 -0.597 0.000 1.025 1006 E CA 1.220 57.408 56.400 -0.353 0.000 0.856 1006 E CB -0.488 28.936 29.700 -0.458 0.000 0.771 1006 E HN 0.692 nan 8.360 nan 0.000 0.526 1007 F N 1.036 121.038 119.950 0.085 0.000 2.647 1007 F HA 0.282 4.816 4.527 0.011 0.000 0.300 1007 F C 0.676 176.516 175.800 0.067 0.000 1.106 1007 F CA -0.455 57.596 58.000 0.084 0.000 1.313 1007 F CB 0.530 39.580 39.000 0.082 0.000 1.007 1007 F HN -0.188 nan 8.300 nan 0.000 0.536 1008 Q N 1.251 121.135 119.800 0.139 0.000 2.271 1008 Q HA 0.389 4.736 4.340 0.012 0.000 0.258 1008 Q C -0.036 175.963 176.000 -0.003 0.000 0.936 1008 Q CA -0.555 55.315 55.803 0.112 0.000 0.909 1008 Q CB 2.174 31.055 28.738 0.238 0.000 1.253 1008 Q HN 0.299 nan 8.270 nan 0.000 0.440 1009 L N 2.505 123.704 121.223 -0.040 0.000 2.544 1009 L HA -0.003 4.344 4.340 0.012 0.000 0.240 1009 L C 1.220 177.986 176.870 -0.173 0.000 1.421 1009 L CA 0.058 54.810 54.840 -0.148 0.000 1.206 1009 L CB -0.755 41.081 42.059 -0.371 0.000 1.463 1009 L HN 0.712 nan 8.230 nan 0.000 0.437 1010 S N -1.005 114.511 115.700 -0.306 0.000 2.524 1010 S HA 0.033 4.510 4.470 0.012 0.000 0.216 1010 S C 2.017 176.529 174.600 -0.147 0.000 0.987 1010 S CA 0.313 58.118 58.200 -0.659 0.000 0.909 1010 S CB 0.373 63.259 63.200 -0.522 0.000 0.781 1010 S HN 0.506 nan 8.310 nan 0.000 0.521 1011 A N 1.648 124.466 122.820 -0.003 0.000 1.978 1011 A HA 0.361 4.688 4.320 0.012 0.000 0.220 1011 A C 2.125 179.615 177.584 -0.156 0.000 1.170 1011 A CA 1.844 53.764 52.037 -0.196 0.000 0.636 1011 A CB -1.370 17.320 19.000 -0.516 0.000 0.810 1011 A HN 1.527 nan 8.150 nan 0.000 0.448 1012 G N -1.723 107.087 108.800 0.017 0.000 2.611 1012 G HA2 -0.221 3.746 3.960 0.012 0.000 0.208 1012 G HA3 -0.221 3.746 3.960 0.012 0.000 0.208 1012 G C 0.336 175.264 174.900 0.048 0.000 1.201 1012 G CA 0.069 45.201 45.100 0.053 0.000 0.739 1012 G HN 0.725 nan 8.290 nan 0.000 0.528 1013 R N 0.045 120.449 120.500 -0.160 0.000 2.439 1013 R HA 0.694 5.041 4.340 0.012 0.000 0.310 1013 R C -1.476 174.579 176.300 -0.409 0.000 0.955 1013 R CA -0.546 55.486 56.100 -0.113 0.000 0.853 1013 R CB 1.409 31.681 30.300 -0.045 0.000 1.171 1013 R HN 0.279 nan 8.270 nan 0.000 0.449 1014 Y N 0.568 120.865 120.300 -0.006 0.000 2.429 1014 Y HA 0.387 4.944 4.550 0.012 0.000 0.342 1014 Y C -0.172 175.903 175.900 0.291 0.000 1.004 1014 Y CA -0.812 57.255 58.100 -0.055 0.000 1.075 1014 Y CB 2.045 40.272 38.460 -0.389 0.000 1.214 1014 Y HN 0.587 nan 8.280 nan 0.000 0.455 1015 H N 2.828 122.199 119.070 0.501 0.000 2.759 1015 H HA 0.589 5.152 4.556 0.012 0.000 0.354 1015 H C -1.872 173.825 175.328 0.615 0.000 1.074 1015 H CA -0.871 55.448 56.048 0.451 0.000 1.226 1015 H CB 1.146 31.045 29.762 0.228 0.000 1.648 1015 H HN 0.601 nan 8.280 nan 0.000 0.529 1016 Y N 1.758 121.920 120.300 -0.230 0.000 2.519 1016 Y HA 0.397 4.955 4.550 0.012 0.000 0.336 1016 Y C -1.755 174.028 175.900 -0.195 0.000 1.089 1016 Y CA -1.117 56.924 58.100 -0.099 0.000 1.025 1016 Y CB 1.236 39.668 38.460 -0.046 0.000 1.318 1016 Y HN 0.604 nan 8.280 nan 0.000 0.452 1017 Q N 4.107 123.902 119.800 -0.008 0.000 2.301 1017 Q HA 0.736 5.083 4.340 0.012 0.000 0.267 1017 Q C -1.531 174.539 176.000 0.117 0.000 1.035 1017 Q CA -1.205 54.588 55.803 -0.015 0.000 0.856 1017 Q CB 3.186 31.972 28.738 0.080 0.000 1.337 1017 Q HN 0.720 nan 8.270 nan 0.000 0.450 1018 L N 1.123 122.396 121.223 0.084 0.000 2.415 1018 L HA 0.680 5.027 4.340 0.012 0.000 0.256 1018 L C -1.540 175.439 176.870 0.183 0.000 1.010 1018 L CA -1.004 53.927 54.840 0.151 0.000 0.826 1018 L CB 2.760 44.891 42.059 0.119 0.000 1.405 1018 L HN 0.508 nan 8.230 nan 0.000 0.410 1019 V N 1.467 121.527 119.914 0.244 0.000 2.612 1019 V HA 0.375 4.502 4.120 0.012 0.000 0.301 1019 V C -1.315 174.969 176.094 0.316 0.000 1.059 1019 V CA -0.630 61.826 62.300 0.260 0.000 0.886 1019 V CB 2.261 34.207 31.823 0.204 0.000 1.007 1019 V HN 0.665 nan 8.190 nan 0.000 0.426 1020 W N 6.640 127.994 121.300 0.091 0.000 2.529 1020 W HA 0.808 5.475 4.660 0.012 0.000 0.321 1020 W C -0.395 176.114 176.519 -0.017 0.000 1.047 1020 W CA -1.206 56.106 57.345 -0.055 0.000 1.216 1020 W CB 1.631 31.122 29.460 0.052 0.000 1.357 1020 W HN 0.928 nan 8.180 nan 0.000 0.489 1021 C N 3.663 123.247 119.300 0.473 0.000 3.312 1021 C HA 0.659 5.126 4.460 0.012 0.000 0.332 1021 C C -0.610 174.438 174.990 0.097 0.000 1.340 1021 C CA -0.995 58.164 59.018 0.234 0.000 1.265 1021 C CB 1.066 28.897 27.740 0.152 0.000 1.563 1021 C HN 0.718 nan 8.230 nan 0.000 0.471 1022 Q N 2.090 121.885 119.800 -0.007 0.000 2.261 1022 Q HA 0.716 5.063 4.340 0.012 0.000 0.252 1022 Q C -0.051 175.898 176.000 -0.086 0.000 0.915 1022 Q CA 0.316 56.032 55.803 -0.145 0.000 0.915 1022 Q CB 0.871 29.477 28.738 -0.219 0.000 1.204 1022 Q HN 0.969 nan 8.270 nan 0.000 0.421 1023 K N 0.000 120.336 120.400 -0.107 0.000 2.780 1023 K HA 0.000 4.327 4.320 0.012 0.000 0.191 1023 K CA 0.000 56.254 56.287 -0.056 0.000 0.838 1023 K CB 0.000 32.472 32.500 -0.047 0.000 1.064 1023 K HN 0.000 nan 8.250 nan 0.000 0.543