REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 1jz3_1_B DATA FIRST_RESID 13 DATA SEQUENCE RRDWENPGVT QLNRLAAHPP FASWRNSEEA RTDRPSQQLR SLNGEWRFAW DATA SEQUENCE FPAPEAVPES WLECDLPEAD TVVVPSNWQM HGYDAPIYTN VTYPITVNPP DATA SEQUENCE FVPTENPTGC YSLTFNVDES WLQEGQTRII FDGVNSAFHL WCNGRWVGYG DATA SEQUENCE QDSRLPSEFD LSAFLRAGEN RLAVMVLRWS DGSYLEDQDM WRMSGIFRDV DATA SEQUENCE SLLHKPTTQI SDFHVATRFN DDFSRAVLEA EVQMCGELRD YLRVTVSLWQ DATA SEQUENCE GETQVASGTA PFGGEIIDER GGYADRVTLR LNVENPKLWS AEIPNLYRAV DATA SEQUENCE VELHTADGTL IEAEACDVGF REVRIENGLL LLNGKPLLIR GVNRHEHHPL DATA SEQUENCE HGQVMDEQTM VQDILLMKQN NFNAVRCSHY PNHPLWYTLC DRYGLYVVDE DATA SEQUENCE ANIETHGMVP MNRLTDDPRW LPAMSERVTR MVQRDRNHPS VIIWSLGNES DATA SEQUENCE GHGANHDALY RWIKSVDPSR PVQYEGGGAD TTATDIICPM YARVDEDQPF DATA SEQUENCE PAVPKWSIKK WLSLPGETRP LILCEYAHAM GNSLGGFAKY WQAFRQYPRL DATA SEQUENCE QGGFVWDWVD QSLIKYDENG NPWSAYGGDF GDTPNDRQFC MNGLVFADRT DATA SEQUENCE PHPALTEAKH QQQFFQFRLS GQTIEVTSEY LFRHSDNELL HWMVALDGKP DATA SEQUENCE LASGEVPLDV APQGKQLIEL PELPQPESAG QLWLTVRVVQ PNATAWSEAG DATA SEQUENCE HISAWQQWRL AENLSVTLPA ASHAIPHLTT SEMDFCIELG NKRWQFNRQS DATA SEQUENCE GFLSQMWIGD KKQLLTPLRD QFTRAPLDND IGVSEATRID PNAWVERWKA DATA SEQUENCE AGHYQAEAAL LQCTADTLAD AVLITTAHAW QHQGKTLFIS RKTYRIDGSG DATA SEQUENCE QMAITVDVEV ASDTPHPARI GLNCQLAQVA ERVNWLGLGP QENYPDRLTA DATA SEQUENCE ACFDRWDLPL SDMYTPYVFP SENGLRCGTR ELNYGPHQWR GDFQFNISRY DATA SEQUENCE SQQQLMETSH RHLLHAEEGT WLNIDGFHMG IGGDDSWSPS VSAEFQLSAG DATA SEQUENCE RYHYQLVWCQ K VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 13 R HA 0.000 nan 4.340 nan 0.000 0.208 13 R C 0.000 176.090 176.300 -0.349 0.000 0.893 13 R CA 0.000 55.968 56.100 -0.220 0.000 0.921 13 R CB 0.000 30.174 30.300 -0.210 0.000 0.687 14 R N 1.894 122.071 120.500 -0.539 0.000 3.225 14 R HA -0.169 4.185 4.340 0.023 0.000 0.245 14 R C -0.250 175.526 176.300 -0.873 0.000 0.928 14 R CA 0.896 56.266 56.100 -1.217 0.000 0.632 14 R CB -1.240 28.468 30.300 -0.988 0.000 1.038 14 R HN 0.253 nan 8.270 nan 0.000 0.461 15 D N -0.121 119.968 120.400 -0.517 0.000 2.309 15 D HA -0.172 4.482 4.640 0.023 0.000 0.212 15 D C 1.527 177.734 176.300 -0.156 0.000 0.968 15 D CA 1.533 55.301 54.000 -0.385 0.000 0.882 15 D CB -0.097 40.293 40.800 -0.684 0.000 0.918 15 D HN 0.732 nan 8.370 nan 0.000 0.503 16 W N 1.170 122.471 121.300 0.001 0.000 3.405 16 W HA 0.273 4.947 4.660 0.023 0.000 0.300 16 W C 0.158 176.759 176.519 0.137 0.000 1.286 16 W CA -0.441 57.008 57.345 0.173 0.000 1.762 16 W CB -0.246 29.368 29.460 0.257 0.000 1.087 16 W HN -0.217 nan 8.180 nan 0.000 0.703 17 E N 1.573 121.656 120.200 -0.195 0.000 3.858 17 E HA 0.070 4.434 4.350 0.023 0.000 0.208 17 E C -0.844 175.597 176.600 -0.266 0.000 1.041 17 E CA -0.254 56.039 56.400 -0.179 0.000 1.368 17 E CB -0.125 29.447 29.700 -0.213 0.000 1.176 17 E HN 0.040 nan 8.360 nan 0.000 0.448 18 N N 1.081 119.663 118.700 -0.195 0.000 2.699 18 N HA 0.118 4.872 4.740 0.023 0.000 0.271 18 N C -2.468 172.899 175.510 -0.238 0.000 1.216 18 N CA -1.724 51.177 53.050 -0.249 0.000 0.844 18 N CB 1.458 39.814 38.487 -0.219 0.000 1.462 18 N HN -0.161 nan 8.380 nan 0.000 0.555 19 P HA 0.083 nan 4.420 nan 0.000 0.230 19 P C 1.055 178.122 177.300 -0.390 0.000 1.158 19 P CA 0.651 63.418 63.100 -0.555 0.000 0.769 19 P CB 0.120 31.005 31.700 -1.359 0.000 0.807 20 G N -0.696 107.920 108.800 -0.307 0.000 2.880 20 G HA2 0.102 4.076 3.960 0.023 0.000 0.209 20 G HA3 0.102 4.076 3.960 0.023 0.000 0.209 20 G C 0.171 174.995 174.900 -0.128 0.000 1.157 20 G CA 0.167 45.138 45.100 -0.214 0.000 0.779 20 G HN 0.199 nan 8.290 nan 0.000 0.539 21 V N 1.564 121.419 119.914 -0.098 0.000 2.357 21 V HA 0.284 4.418 4.120 0.023 0.000 0.281 21 V C 0.774 176.921 176.094 0.088 0.000 1.015 21 V CA 0.031 62.322 62.300 -0.014 0.000 0.827 21 V CB 1.286 33.082 31.823 -0.044 0.000 1.018 21 V HN 0.309 nan 8.190 nan 0.000 0.432 22 T N 0.605 115.208 114.554 0.082 0.000 3.023 22 T HA 0.382 4.746 4.350 0.023 0.000 0.253 22 T C 0.253 175.006 174.700 0.088 0.000 1.038 22 T CA 0.135 62.291 62.100 0.093 0.000 0.962 22 T CB 0.326 69.200 68.868 0.010 0.000 1.018 22 T HN 0.698 nan 8.240 nan 0.000 0.521 23 Q N 0.154 120.052 119.800 0.163 0.000 2.829 23 Q HA 0.692 5.046 4.340 0.023 0.000 0.296 23 Q C -2.279 173.863 176.000 0.235 0.000 0.893 23 Q CA -1.089 54.802 55.803 0.145 0.000 0.772 23 Q CB 0.838 29.576 28.738 0.000 0.000 1.489 23 Q HN 0.211 nan 8.270 nan 0.000 0.420 24 L N 1.293 122.673 121.223 0.262 0.000 2.505 24 L HA 0.582 4.936 4.340 0.023 0.000 0.266 24 L C -0.699 176.299 176.870 0.212 0.000 0.954 24 L CA -0.847 54.149 54.840 0.261 0.000 0.852 24 L CB 2.036 44.360 42.059 0.442 0.000 1.282 24 L HN 0.846 nan 8.230 nan 0.000 0.403 25 N N 0.742 119.534 118.700 0.154 0.000 2.778 25 N HA -0.209 4.545 4.740 0.023 0.000 0.249 25 N C 0.200 175.800 175.510 0.150 0.000 1.069 25 N CA 0.906 54.038 53.050 0.138 0.000 0.831 25 N CB -0.761 37.757 38.487 0.053 0.000 1.142 25 N HN 0.659 nan 8.380 nan 0.000 0.573 26 R N 0.968 121.473 120.500 0.008 0.000 2.490 26 R HA 0.391 4.745 4.340 0.023 0.000 0.280 26 R C 0.496 176.652 176.300 -0.240 0.000 1.077 26 R CA -0.325 55.539 56.100 -0.392 0.000 1.065 26 R CB 0.539 30.602 30.300 -0.395 0.000 1.003 26 R HN 0.121 nan 8.270 nan 0.000 0.470 27 L N 2.843 123.900 121.223 -0.277 0.000 2.456 27 L HA 0.340 4.694 4.340 0.023 0.000 0.257 27 L C 0.640 177.457 176.870 -0.088 0.000 1.162 27 L CA -0.663 54.108 54.840 -0.114 0.000 0.808 27 L CB 0.930 42.949 42.059 -0.067 0.000 1.136 27 L HN 0.785 nan 8.230 nan 0.000 0.466 28 A N 1.188 123.997 122.820 -0.019 0.000 2.466 28 A HA 0.483 4.817 4.320 0.023 0.000 0.238 28 A C 0.253 177.837 177.584 -0.000 0.000 1.074 28 A CA 0.024 52.056 52.037 -0.008 0.000 0.774 28 A CB 0.181 19.202 19.000 0.036 0.000 1.015 28 A HN 0.783 nan 8.150 nan 0.000 0.498 29 A N 1.203 123.976 122.820 -0.078 0.000 2.332 29 A HA 0.690 5.024 4.320 0.023 0.000 0.258 29 A C 0.078 177.563 177.584 -0.165 0.000 1.087 29 A CA 0.414 52.329 52.037 -0.202 0.000 0.802 29 A CB -0.036 18.845 19.000 -0.200 0.000 1.042 29 A HN 1.832 nan 8.150 nan 0.000 0.489 30 H N -2.139 116.778 119.070 -0.255 0.000 2.917 30 H HA 0.649 5.219 4.556 0.023 0.000 0.299 30 H C -3.391 171.653 175.328 -0.473 0.000 1.418 30 H CA -1.843 53.991 56.048 -0.357 0.000 1.138 30 H CB 0.117 29.550 29.762 -0.548 0.000 1.830 30 H HN 0.376 nan 8.280 nan 0.000 0.514 31 P HA 0.225 nan 4.420 nan 0.000 0.274 31 P C -2.595 174.544 177.300 -0.268 0.000 1.256 31 P CA -1.505 61.391 63.100 -0.340 0.000 0.795 31 P CB -0.186 31.239 31.700 -0.460 0.000 1.038 32 P HA 0.011 nan 4.420 nan 0.000 0.260 32 P C -0.768 176.741 177.300 0.349 0.000 1.185 32 P CA 1.265 64.416 63.100 0.085 0.000 0.763 32 P CB -0.223 31.569 31.700 0.153 0.000 0.776 33 F N 1.547 121.611 119.950 0.190 0.000 2.556 33 F HA 0.612 5.153 4.527 0.023 0.000 0.327 33 F C 1.018 176.756 175.800 -0.102 0.000 1.059 33 F CA -1.016 57.035 58.000 0.084 0.000 0.953 33 F CB 2.136 41.135 39.000 -0.002 0.000 1.227 33 F HN 0.197 nan 8.300 nan 0.000 0.478 34 A N 0.233 122.985 122.820 -0.114 0.000 2.664 34 A HA 0.224 4.558 4.320 0.023 0.000 0.222 34 A C 0.578 177.854 177.584 -0.513 0.000 1.320 34 A CA 0.407 52.128 52.037 -0.528 0.000 1.029 34 A CB -0.142 18.058 19.000 -1.333 0.000 1.318 34 A HN 0.740 nan 8.150 nan 0.000 0.589 35 S N 0.617 116.130 115.700 -0.312 0.000 3.447 35 S HA -0.155 4.329 4.470 0.023 0.000 0.371 35 S C 0.079 174.597 174.600 -0.137 0.000 0.951 35 S CA 0.469 58.544 58.200 -0.208 0.000 1.269 35 S CB -1.540 61.547 63.200 -0.189 0.000 0.919 35 S HN 0.460 nan 8.310 nan 0.000 0.516 36 W N 1.602 122.879 121.300 -0.038 0.000 2.137 36 W HA 0.244 4.917 4.660 0.023 0.000 0.344 36 W C 1.369 177.863 176.519 -0.042 0.000 1.286 36 W CA -0.521 56.807 57.345 -0.028 0.000 1.240 36 W CB 0.227 29.671 29.460 -0.026 0.000 1.141 36 W HN 0.330 nan 8.180 nan 0.000 0.579 37 R N 1.985 122.603 120.500 0.197 0.000 2.652 37 R HA 0.107 4.461 4.340 0.023 0.000 0.372 37 R C -0.167 176.183 176.300 0.083 0.000 1.104 37 R CA -0.153 56.006 56.100 0.098 0.000 1.072 37 R CB -0.154 30.172 30.300 0.044 0.000 1.367 37 R HN 0.376 nan 8.270 nan 0.000 0.577 38 N N -0.039 118.722 118.700 0.102 0.000 2.503 38 N HA 0.084 4.838 4.740 0.023 0.000 0.287 38 N C -0.143 175.334 175.510 -0.055 0.000 1.096 38 N CA -0.009 53.052 53.050 0.018 0.000 0.936 38 N CB 1.821 40.316 38.487 0.015 0.000 1.570 38 N HN -0.235 nan 8.380 nan 0.000 0.504 39 S N 2.322 117.970 115.700 -0.087 0.000 2.399 39 S HA -0.163 4.321 4.470 0.023 0.000 0.231 39 S C 1.401 175.830 174.600 -0.285 0.000 1.022 39 S CA 1.178 59.284 58.200 -0.157 0.000 0.983 39 S CB 0.004 63.142 63.200 -0.104 0.000 0.803 39 S HN 0.767 nan 8.310 nan 0.000 0.480 40 E N 1.585 121.628 120.200 -0.262 0.000 2.152 40 E HA -0.119 4.245 4.350 0.023 0.000 0.192 40 E C 1.832 178.199 176.600 -0.388 0.000 0.983 40 E CA 0.971 57.171 56.400 -0.334 0.000 0.818 40 E CB -0.122 29.436 29.700 -0.236 0.000 0.758 40 E HN 0.264 nan 8.360 nan 0.000 0.467 41 E N 0.208 120.188 120.200 -0.367 0.000 2.106 41 E HA -0.129 4.235 4.350 0.023 0.000 0.192 41 E C 1.976 177.950 176.600 -1.043 0.000 0.984 41 E CA 1.119 57.245 56.400 -0.456 0.000 0.806 41 E CB -0.458 29.103 29.700 -0.232 0.000 0.750 41 E HN 0.397 nan 8.360 nan 0.000 0.458 42 A N 1.453 123.490 122.820 -1.305 0.000 1.898 42 A HA -0.182 4.152 4.320 0.023 0.000 0.216 42 A C 2.231 179.220 177.584 -0.991 0.000 1.181 42 A CA 1.564 52.513 52.037 -1.813 0.000 0.620 42 A CB -0.475 18.006 19.000 -0.865 0.000 0.819 42 A HN 0.127 nan 8.150 nan 0.000 0.442 43 R N -0.188 119.917 120.500 -0.658 0.000 2.091 43 R HA -0.143 4.211 4.340 0.023 0.000 0.238 43 R C 1.968 178.019 176.300 -0.414 0.000 1.136 43 R CA 2.127 57.909 56.100 -0.529 0.000 0.959 43 R CB -0.460 29.418 30.300 -0.703 0.000 0.856 43 R HN 0.631 nan 8.270 nan 0.000 0.437 44 T N -2.556 111.758 114.554 -0.402 0.000 3.129 44 T HA 0.039 4.403 4.350 0.023 0.000 0.251 44 T C 0.281 174.886 174.700 -0.158 0.000 1.117 44 T CA 0.497 62.451 62.100 -0.244 0.000 1.034 44 T CB 0.070 68.819 68.868 -0.198 0.000 0.968 44 T HN 0.338 nan 8.240 nan 0.000 0.526 45 D N 0.891 121.150 120.400 -0.236 0.000 2.870 45 D HA -0.156 4.498 4.640 0.023 0.000 0.228 45 D C 0.073 176.492 176.300 0.200 0.000 1.147 45 D CA 0.449 54.467 54.000 0.031 0.000 0.757 45 D CB -1.093 39.775 40.800 0.113 0.000 1.091 45 D HN 0.590 nan 8.370 nan 0.000 0.429 46 R N -0.033 120.549 120.500 0.136 0.000 2.583 46 R HA 0.512 4.866 4.340 0.023 0.000 0.268 46 R C -2.124 174.435 176.300 0.432 0.000 1.101 46 R CA -1.395 54.836 56.100 0.218 0.000 1.180 46 R CB 0.236 30.599 30.300 0.105 0.000 1.128 46 R HN 0.050 nan 8.270 nan 0.000 0.568 47 P HA -0.018 nan 4.420 nan 0.000 0.268 47 P C -0.836 176.622 177.300 0.264 0.000 1.205 47 P CA 0.145 63.387 63.100 0.238 0.000 0.771 47 P CB 0.889 32.677 31.700 0.147 0.000 0.858 48 S N 1.733 117.488 115.700 0.093 0.000 2.489 48 S HA 0.127 4.611 4.470 0.023 0.000 0.291 48 S C 0.987 175.604 174.600 0.028 0.000 1.151 48 S CA -0.531 57.651 58.200 -0.031 0.000 1.082 48 S CB 0.454 63.325 63.200 -0.548 0.000 1.019 48 S HN 0.217 nan 8.310 nan 0.000 0.492 49 Q N 2.690 122.537 119.800 0.078 0.000 2.364 49 Q HA -0.011 4.343 4.340 0.023 0.000 0.207 49 Q C 0.829 176.920 176.000 0.152 0.000 0.970 49 Q CA 1.115 56.991 55.803 0.122 0.000 0.888 49 Q CB -0.123 28.686 28.738 0.118 0.000 0.951 49 Q HN 0.692 nan 8.270 nan 0.000 0.469 50 Q N -0.319 119.488 119.800 0.013 0.000 2.320 50 Q HA 0.164 4.518 4.340 0.023 0.000 0.201 50 Q C -0.397 175.637 176.000 0.058 0.000 0.910 50 Q CA 0.054 55.812 55.803 -0.075 0.000 0.946 50 Q CB 0.455 29.063 28.738 -0.217 0.000 1.062 50 Q HN 0.034 nan 8.270 nan 0.000 0.503 51 L N 0.716 122.002 121.223 0.105 0.000 2.377 51 L HA 0.445 4.799 4.340 0.023 0.000 0.270 51 L C -1.172 175.795 176.870 0.161 0.000 0.991 51 L CA -0.368 54.541 54.840 0.115 0.000 0.851 51 L CB 1.016 43.055 42.059 -0.033 0.000 1.218 51 L HN -0.101 nan 8.230 nan 0.000 0.420 52 R N 2.488 123.114 120.500 0.211 0.000 2.532 52 R HA 0.576 4.930 4.340 0.023 0.000 0.295 52 R C -0.434 175.885 176.300 0.033 0.000 0.968 52 R CA -0.683 55.476 56.100 0.099 0.000 0.916 52 R CB 1.938 32.245 30.300 0.012 0.000 1.124 52 R HN 0.652 nan 8.270 nan 0.000 0.463 53 S N 2.321 118.031 115.700 0.016 0.000 2.537 53 S HA 0.239 4.723 4.470 0.023 0.000 0.275 53 S C 0.646 175.236 174.600 -0.017 0.000 1.272 53 S CA -0.644 57.555 58.200 -0.002 0.000 1.050 53 S CB 0.498 63.709 63.200 0.017 0.000 0.961 53 S HN 0.565 nan 8.310 nan 0.000 0.496 54 L N 3.700 124.908 121.223 -0.026 0.000 2.741 54 L HA 0.291 4.645 4.340 0.023 0.000 0.237 54 L C 0.215 177.207 176.870 0.203 0.000 1.178 54 L CA -0.380 54.464 54.840 0.005 0.000 0.973 54 L CB -0.377 41.636 42.059 -0.076 0.000 1.255 54 L HN 0.529 nan 8.230 nan 0.000 0.498 55 N N 1.182 119.953 118.700 0.117 0.000 2.482 55 N HA 0.497 5.251 4.740 0.023 0.000 0.260 55 N C 0.645 176.264 175.510 0.182 0.000 1.236 55 N CA 0.938 54.063 53.050 0.125 0.000 0.938 55 N CB 1.407 39.911 38.487 0.029 0.000 1.128 55 N HN 0.296 nan 8.380 nan 0.000 0.448 56 G N 0.353 109.279 108.800 0.211 0.000 2.288 56 G HA2 -0.087 3.887 3.960 0.023 0.000 0.227 56 G HA3 -0.087 3.887 3.960 0.023 0.000 0.227 56 G C -1.504 173.589 174.900 0.322 0.000 1.339 56 G CA -0.791 44.430 45.100 0.202 0.000 1.057 56 G HN 0.460 nan 8.290 nan 0.000 0.470 57 E N 0.235 120.601 120.200 0.276 0.000 2.180 57 E HA 0.419 4.783 4.350 0.023 0.000 0.283 57 E C -0.874 175.972 176.600 0.410 0.000 1.061 57 E CA -0.063 56.514 56.400 0.296 0.000 0.861 57 E CB 0.863 30.660 29.700 0.163 0.000 1.056 57 E HN 0.336 nan 8.360 nan 0.000 0.407 58 W N 1.768 123.158 121.300 0.151 0.000 2.869 58 W HA 0.400 5.074 4.660 0.023 0.000 0.345 58 W C 0.279 176.931 176.519 0.222 0.000 1.191 58 W CA -0.692 56.775 57.345 0.203 0.000 1.104 58 W CB 0.712 30.351 29.460 0.298 0.000 1.471 58 W HN 0.186 nan 8.180 nan 0.000 0.612 59 R N 1.254 122.043 120.500 0.481 0.000 2.474 59 R HA 0.614 4.968 4.340 0.023 0.000 0.295 59 R C -1.506 175.065 176.300 0.452 0.000 0.980 59 R CA -0.914 55.407 56.100 0.367 0.000 0.934 59 R CB 1.320 31.775 30.300 0.258 0.000 1.101 59 R HN 0.468 nan 8.270 nan 0.000 0.469 60 F N 0.183 120.189 119.950 0.093 0.000 2.608 60 F HA 0.631 5.172 4.527 0.023 0.000 0.309 60 F C -1.657 173.983 175.800 -0.265 0.000 1.103 60 F CA -0.591 57.318 58.000 -0.152 0.000 0.954 60 F CB 1.961 40.770 39.000 -0.318 0.000 1.267 60 F HN 0.628 nan 8.300 nan 0.000 0.444 61 A N 4.088 126.109 122.820 -1.330 0.000 2.486 61 A HA 0.615 4.949 4.320 0.023 0.000 0.300 61 A C -2.430 174.128 177.584 -1.710 0.000 1.048 61 A CA -0.574 50.762 52.037 -1.169 0.000 0.696 61 A CB 0.872 19.456 19.000 -0.692 0.000 1.278 61 A HN 0.974 nan 8.150 nan 0.000 0.405 62 W N 2.249 122.626 121.300 -1.539 0.000 2.496 62 W HA 0.755 5.429 4.660 0.023 0.000 0.327 62 W C -1.822 173.970 176.519 -1.211 0.000 1.086 62 W CA -0.445 56.133 57.345 -1.278 0.000 1.222 62 W CB 1.034 30.039 29.460 -0.759 0.000 1.304 62 W HN 0.495 nan 8.180 nan 0.000 0.547 63 F N 5.683 124.969 119.950 -1.107 0.000 2.588 63 F HA 0.383 4.924 4.527 0.023 0.000 0.314 63 F C -1.291 173.648 175.800 -1.435 0.000 1.069 63 F CA -2.201 55.261 58.000 -0.897 0.000 0.931 63 F CB 1.933 40.553 39.000 -0.634 0.000 1.260 63 F HN 0.207 nan 8.300 nan 0.000 0.465 64 P HA 0.127 nan 4.420 nan 0.000 0.236 64 P C -0.441 176.709 177.300 -0.249 0.000 1.177 64 P CA 0.773 63.579 63.100 -0.490 0.000 0.773 64 P CB 0.637 32.330 31.700 -0.011 0.000 0.878 65 A N -0.468 122.219 122.820 -0.221 0.000 2.599 65 A HA 0.499 4.833 4.320 0.023 0.000 0.294 65 A C -2.409 175.067 177.584 -0.180 0.000 1.055 65 A CA -0.970 50.990 52.037 -0.128 0.000 0.683 65 A CB 0.451 19.442 19.000 -0.016 0.000 1.278 65 A HN -0.292 nan 8.150 nan 0.000 0.412 66 P HA -0.144 nan 4.420 nan 0.000 0.218 66 P C 0.743 177.947 177.300 -0.159 0.000 1.148 66 P CA 1.568 64.537 63.100 -0.219 0.000 0.822 66 P CB 0.237 31.774 31.700 -0.272 0.000 0.784 67 E N 0.098 120.262 120.200 -0.059 0.000 2.333 67 E HA -0.067 4.297 4.350 0.023 0.000 0.198 67 E C 1.935 178.458 176.600 -0.127 0.000 1.007 67 E CA 1.229 57.600 56.400 -0.048 0.000 0.845 67 E CB -0.859 28.846 29.700 0.008 0.000 0.766 67 E HN 0.271 nan 8.360 nan 0.000 0.507 68 A N 0.220 122.926 122.820 -0.190 0.000 2.275 68 A HA 0.144 4.478 4.320 0.023 0.000 0.212 68 A C 0.476 177.723 177.584 -0.562 0.000 1.201 68 A CA -0.218 51.680 52.037 -0.232 0.000 0.843 68 A CB 0.351 19.298 19.000 -0.087 0.000 0.873 68 A HN 0.022 nan 8.150 nan 0.000 0.492 69 V N 2.633 122.139 119.914 -0.680 0.000 2.455 69 V HA 0.201 4.335 4.120 0.023 0.000 0.273 69 V C -2.242 173.494 176.094 -0.596 0.000 1.045 69 V CA -1.504 60.161 62.300 -1.057 0.000 0.976 69 V CB 0.698 31.981 31.823 -0.901 0.000 0.993 69 V HN 0.271 nan 8.190 nan 0.000 0.475 70 P HA 0.156 nan 4.420 nan 0.000 0.268 70 P C 0.404 177.629 177.300 -0.126 0.000 1.204 70 P CA -0.166 62.798 63.100 -0.227 0.000 0.768 70 P CB 0.802 32.426 31.700 -0.126 0.000 0.842 71 E N 0.999 121.143 120.200 -0.093 0.000 2.204 71 E HA -0.165 4.199 4.350 0.023 0.000 0.195 71 E C 1.881 178.449 176.600 -0.054 0.000 0.990 71 E CA 1.546 57.900 56.400 -0.077 0.000 0.821 71 E CB -0.630 29.030 29.700 -0.066 0.000 0.750 71 E HN 0.541 nan 8.360 nan 0.000 0.477 72 S N -0.232 115.454 115.700 -0.024 0.000 2.387 72 S HA -0.252 4.232 4.470 0.023 0.000 0.230 72 S C 1.875 176.479 174.600 0.006 0.000 1.035 72 S CA 0.990 59.184 58.200 -0.009 0.000 1.014 72 S CB -0.943 62.263 63.200 0.010 0.000 0.836 72 S HN 0.583 nan 8.310 nan 0.000 0.466 73 W N 2.328 123.530 121.300 -0.163 0.000 2.341 73 W HA -0.069 4.605 4.660 0.023 0.000 0.283 73 W C 1.625 178.027 176.519 -0.195 0.000 1.215 73 W CA 1.303 58.550 57.345 -0.164 0.000 1.211 73 W CB -0.343 29.002 29.460 -0.192 0.000 1.131 73 W HN 0.303 nan 8.180 nan 0.000 0.552 74 L N 0.104 121.103 121.223 -0.373 0.000 2.156 74 L HA -0.139 4.215 4.340 0.023 0.000 0.208 74 L C 2.515 179.154 176.870 -0.385 0.000 1.095 74 L CA 1.135 55.607 54.840 -0.613 0.000 0.770 74 L CB -0.702 41.015 42.059 -0.571 0.000 0.914 74 L HN -0.081 nan 8.230 nan 0.000 0.439 75 E N -0.677 119.384 120.200 -0.232 0.000 2.166 75 E HA 0.016 4.380 4.350 0.023 0.000 0.192 75 E C 0.545 177.066 176.600 -0.132 0.000 0.967 75 E CA 0.717 57.032 56.400 -0.142 0.000 0.840 75 E CB 0.511 30.161 29.700 -0.083 0.000 0.795 75 E HN 0.531 nan 8.360 nan 0.000 0.470 76 C N -0.733 118.492 119.300 -0.125 0.000 3.288 76 C HA 0.506 4.980 4.460 0.023 0.000 0.318 76 C C -0.369 174.596 174.990 -0.042 0.000 1.356 76 C CA -1.477 57.490 59.018 -0.084 0.000 1.359 76 C CB 0.985 28.700 27.740 -0.041 0.000 1.688 76 C HN 0.098 nan 8.230 nan 0.000 0.467 77 D N 0.608 121.004 120.400 -0.007 0.000 2.488 77 D HA 0.324 4.978 4.640 0.023 0.000 0.238 77 D C -0.206 176.163 176.300 0.114 0.000 1.138 77 D CA 0.384 54.424 54.000 0.067 0.000 0.873 77 D CB 0.477 41.311 40.800 0.057 0.000 1.183 77 D HN 0.577 nan 8.370 nan 0.000 0.458 78 L N 5.941 127.283 121.223 0.198 0.000 2.319 78 L HA 0.236 4.590 4.340 0.023 0.000 0.280 78 L C -1.281 175.652 176.870 0.105 0.000 1.099 78 L CA -1.520 53.417 54.840 0.162 0.000 0.828 78 L CB 1.145 43.320 42.059 0.193 0.000 1.150 78 L HN 0.495 nan 8.230 nan 0.000 0.442 79 P HA -0.165 nan 4.420 nan 0.000 0.216 79 P C 0.784 178.113 177.300 0.049 0.000 1.150 79 P CA 1.140 64.273 63.100 0.056 0.000 0.837 79 P CB 0.249 31.976 31.700 0.044 0.000 0.786 80 E N -0.263 119.963 120.200 0.043 0.000 2.409 80 E HA 0.083 4.447 4.350 0.023 0.000 0.198 80 E C 1.042 177.650 176.600 0.012 0.000 1.024 80 E CA 0.291 56.704 56.400 0.021 0.000 0.861 80 E CB -0.722 28.977 29.700 -0.001 0.000 0.788 80 E HN 0.225 nan 8.360 nan 0.000 0.521 81 A N 1.214 124.052 122.820 0.030 0.000 2.386 81 A HA 0.161 4.495 4.320 0.023 0.000 0.246 81 A C -0.022 177.608 177.584 0.077 0.000 1.089 81 A CA -0.331 51.720 52.037 0.023 0.000 0.790 81 A CB 0.366 19.409 19.000 0.071 0.000 1.042 81 A HN -0.057 nan 8.150 nan 0.000 0.497 82 D N -0.332 120.142 120.400 0.122 0.000 2.384 82 D HA 0.496 5.150 4.640 0.023 0.000 0.250 82 D C -0.594 175.822 176.300 0.193 0.000 1.029 82 D CA 0.003 54.102 54.000 0.166 0.000 0.990 82 D CB 1.261 42.210 40.800 0.248 0.000 1.175 82 D HN 0.382 nan 8.370 nan 0.000 0.532 83 T N 0.549 115.200 114.554 0.162 0.000 2.744 83 T HA 0.503 4.867 4.350 0.023 0.000 0.291 83 T C 0.136 174.931 174.700 0.159 0.000 0.957 83 T CA -0.522 61.681 62.100 0.171 0.000 1.002 83 T CB 0.560 69.501 68.868 0.122 0.000 0.919 83 T HN 0.275 nan 8.240 nan 0.000 0.468 84 V N 1.295 121.334 119.914 0.208 0.000 3.160 84 V HA 0.804 4.938 4.120 0.023 0.000 0.310 84 V C -0.383 175.828 176.094 0.196 0.000 1.181 84 V CA -1.056 61.322 62.300 0.129 0.000 1.047 84 V CB 1.642 33.562 31.823 0.161 0.000 1.068 84 V HN 0.495 nan 8.190 nan 0.000 0.441 85 V N 1.546 121.551 119.914 0.152 0.000 2.607 85 V HA 0.566 4.700 4.120 0.023 0.000 0.289 85 V C -0.044 176.138 176.094 0.148 0.000 1.053 85 V CA -0.142 62.252 62.300 0.156 0.000 0.996 85 V CB 1.451 33.331 31.823 0.095 0.000 0.995 85 V HN 0.757 nan 8.190 nan 0.000 0.476 86 V N 6.581 126.501 119.914 0.011 0.000 2.588 86 V HA 0.442 4.576 4.120 0.023 0.000 0.304 86 V C -2.327 173.659 176.094 -0.182 0.000 1.042 86 V CA -1.668 60.495 62.300 -0.227 0.000 0.877 86 V CB 2.419 33.758 31.823 -0.806 0.000 0.996 86 V HN 0.757 nan 8.190 nan 0.000 0.425 87 P HA 0.445 nan 4.420 nan 0.000 0.274 87 P C -0.751 176.474 177.300 -0.126 0.000 1.231 87 P CA -0.081 62.894 63.100 -0.208 0.000 0.790 87 P CB 1.323 32.914 31.700 -0.182 0.000 0.951 88 S N 0.341 115.976 115.700 -0.109 0.000 2.615 88 S HA 0.426 4.910 4.470 0.023 0.000 0.268 88 S C -1.261 173.259 174.600 -0.133 0.000 1.146 88 S CA -1.030 57.087 58.200 -0.138 0.000 0.818 88 S CB 0.547 63.611 63.200 -0.228 0.000 1.111 88 S HN 0.347 nan 8.310 nan 0.000 0.465 89 N N 0.930 119.482 118.700 -0.246 0.000 2.408 89 N HA 0.438 5.192 4.740 0.023 0.000 0.280 89 N C 0.439 175.743 175.510 -0.343 0.000 1.002 89 N CA -0.867 51.998 53.050 -0.307 0.000 0.907 89 N CB 0.743 39.017 38.487 -0.355 0.000 1.161 89 N HN 0.865 nan 8.380 nan 0.000 0.488 90 W N 2.310 123.474 121.300 -0.228 0.000 2.421 90 W HA -0.070 4.604 4.660 0.024 0.000 0.270 90 W C 0.881 177.372 176.519 -0.047 0.000 1.233 90 W CA 0.640 57.852 57.345 -0.223 0.000 1.226 90 W CB -0.362 28.941 29.460 -0.262 0.000 1.121 90 W HN 0.490 nan 8.180 nan 0.000 0.579 91 Q N 0.614 120.348 119.800 -0.109 0.000 2.224 91 Q HA -0.086 4.268 4.340 0.023 0.000 0.203 91 Q C 2.106 178.052 176.000 -0.090 0.000 0.970 91 Q CA 1.610 57.383 55.803 -0.051 0.000 0.865 91 Q CB -0.594 28.009 28.738 -0.223 0.000 0.922 91 Q HN 0.318 nan 8.270 nan 0.000 0.445 92 M N -0.919 118.581 119.600 -0.166 0.000 2.619 92 M HA -0.007 4.487 4.480 0.023 0.000 0.251 92 M C 0.670 177.015 176.300 0.075 0.000 1.106 92 M CA 1.184 56.411 55.300 -0.121 0.000 1.086 92 M CB -0.486 32.018 32.600 -0.161 0.000 1.465 92 M HN 0.387 nan 8.290 nan 0.000 0.506 93 H N -0.638 118.448 119.070 0.027 0.000 2.551 93 H HA 0.257 4.827 4.556 0.024 0.000 0.271 93 H C 1.305 176.516 175.328 -0.196 0.000 0.984 93 H CA 0.158 56.203 56.048 -0.005 0.000 1.164 93 H CB 0.495 30.356 29.762 0.165 0.000 1.437 93 H HN 0.563 nan 8.280 nan 0.000 0.550 94 G N 0.569 109.366 108.800 -0.006 0.000 2.157 94 G HA2 -0.357 3.617 3.960 0.023 0.000 0.248 94 G HA3 -0.357 3.617 3.960 0.023 0.000 0.248 94 G C 0.391 175.166 174.900 -0.208 0.000 0.979 94 G CA 0.310 45.342 45.100 -0.114 0.000 0.650 94 G HN 0.467 nan 8.290 nan 0.000 0.529 95 Y N 1.602 121.929 120.300 0.044 0.000 2.293 95 Y HA 0.245 4.808 4.550 0.023 0.000 0.291 95 Y C 1.665 177.342 175.900 -0.371 0.000 1.137 95 Y CA 1.587 59.597 58.100 -0.148 0.000 1.202 95 Y CB 0.177 38.612 38.460 -0.042 0.000 0.990 95 Y HN 0.648 nan 8.280 nan 0.000 0.537 96 D N -1.818 118.652 120.400 0.116 0.000 2.615 96 D HA 0.506 5.160 4.640 0.023 0.000 0.267 96 D C -1.208 175.178 176.300 0.144 0.000 1.236 96 D CA -0.893 53.171 54.000 0.108 0.000 0.839 96 D CB 0.854 41.837 40.800 0.306 0.000 1.380 96 D HN -0.048 nan 8.370 nan 0.000 0.433 97 A N 0.217 123.129 122.820 0.153 0.000 2.310 97 A HA 0.707 5.041 4.320 0.023 0.000 0.299 97 A C -2.325 175.301 177.584 0.070 0.000 1.147 97 A CA -1.193 50.919 52.037 0.125 0.000 0.818 97 A CB 0.159 19.295 19.000 0.227 0.000 1.096 97 A HN 0.555 nan 8.150 nan 0.000 0.495 98 P HA 0.453 nan 4.420 nan 0.000 0.277 98 P C -0.895 176.572 177.300 0.279 0.000 1.240 98 P CA 0.022 63.089 63.100 -0.055 0.000 0.798 98 P CB 0.806 32.242 31.700 -0.441 0.000 0.979 99 I N 1.856 122.670 120.570 0.406 0.000 2.465 99 I HA 0.263 4.447 4.170 0.023 0.000 0.291 99 I C -0.578 175.702 176.117 0.272 0.000 1.014 99 I CA -0.989 60.541 61.300 0.382 0.000 1.093 99 I CB 1.719 39.887 38.000 0.279 0.000 1.267 99 I HN 0.284 nan 8.210 nan 0.000 0.431 100 Y N 5.955 126.152 120.300 -0.172 0.000 2.491 100 Y HA 0.531 5.095 4.550 0.023 0.000 0.334 100 Y C -0.394 175.344 175.900 -0.269 0.000 0.969 100 Y CA -0.601 57.138 58.100 -0.603 0.000 1.241 100 Y CB 1.119 38.730 38.460 -1.415 0.000 1.105 100 Y HN 0.538 nan 8.280 nan 0.000 0.503 101 T N 5.091 119.167 114.554 -0.797 0.000 2.876 101 T HA 0.264 4.628 4.350 0.023 0.000 0.289 101 T C 0.247 174.524 174.700 -0.705 0.000 1.014 101 T CA -0.565 61.085 62.100 -0.750 0.000 0.986 101 T CB 1.100 69.760 68.868 -0.348 0.000 1.021 101 T HN 0.776 nan 8.240 nan 0.000 0.458 102 N N 2.938 121.260 118.700 -0.630 0.000 2.272 102 N HA 0.044 4.798 4.740 0.023 0.000 0.195 102 N C 1.533 176.824 175.510 -0.365 0.000 1.048 102 N CA 1.620 54.468 53.050 -0.337 0.000 0.912 102 N CB -0.636 37.707 38.487 -0.241 0.000 1.096 102 N HN 0.375 nan 8.380 nan 0.000 0.471 103 V N 0.235 119.856 119.914 -0.488 0.000 2.492 103 V HA 0.113 4.247 4.120 0.023 0.000 0.241 103 V C 0.362 176.174 176.094 -0.470 0.000 1.041 103 V CA 0.924 62.854 62.300 -0.617 0.000 1.057 103 V CB -0.776 30.580 31.823 -0.777 0.000 0.711 103 V HN 0.345 nan 8.190 nan 0.000 0.468 104 T N 1.323 115.665 114.554 -0.354 0.000 2.831 104 T HA 0.077 4.441 4.350 0.023 0.000 0.291 104 T C -0.308 174.279 174.700 -0.187 0.000 0.981 104 T CA 0.345 62.310 62.100 -0.225 0.000 1.174 104 T CB -0.385 68.374 68.868 -0.182 0.000 0.929 104 T HN 0.185 nan 8.240 nan 0.000 0.532 105 Y N 5.025 125.239 120.300 -0.143 0.000 2.578 105 Y HA 0.095 4.658 4.550 0.023 0.000 0.339 105 Y C -0.715 175.068 175.900 -0.196 0.000 1.231 105 Y CA -1.607 56.398 58.100 -0.158 0.000 1.461 105 Y CB 0.461 38.825 38.460 -0.160 0.000 1.323 105 Y HN 0.515 nan 8.280 nan 0.000 0.590 106 P HA -0.023 nan 4.420 nan 0.000 0.237 106 P C -0.366 176.713 177.300 -0.368 0.000 1.178 106 P CA 1.150 64.153 63.100 -0.162 0.000 0.766 106 P CB -0.022 31.625 31.700 -0.088 0.000 0.876 107 I N -5.352 114.975 120.570 -0.405 0.000 3.002 107 I HA 0.487 4.671 4.170 0.023 0.000 0.310 107 I C -0.522 175.460 176.117 -0.226 0.000 1.087 107 I CA -1.250 59.780 61.300 -0.450 0.000 1.017 107 I CB 1.735 39.312 38.000 -0.705 0.000 1.226 107 I HN -0.462 nan 8.210 nan 0.000 0.443 108 T N 2.772 117.239 114.554 -0.145 0.000 2.946 108 T HA 0.127 4.491 4.350 0.023 0.000 0.311 108 T C 0.199 174.884 174.700 -0.026 0.000 1.063 108 T CA -0.177 61.890 62.100 -0.056 0.000 1.139 108 T CB 0.556 69.414 68.868 -0.017 0.000 0.994 108 T HN 0.384 nan 8.240 nan 0.000 0.547 109 V N 4.719 124.636 119.914 0.005 0.000 2.370 109 V HA 0.251 4.385 4.120 0.023 0.000 0.257 109 V C 0.683 176.826 176.094 0.081 0.000 1.064 109 V CA -0.256 62.069 62.300 0.042 0.000 0.975 109 V CB -0.070 31.763 31.823 0.016 0.000 1.067 109 V HN 0.880 nan 8.190 nan 0.000 0.485 110 N N 6.067 124.870 118.700 0.173 0.000 2.666 110 N HA 0.243 4.997 4.740 0.023 0.000 0.253 110 N C -2.858 172.744 175.510 0.153 0.000 1.621 110 N CA -1.257 51.887 53.050 0.156 0.000 0.785 110 N CB 1.379 39.988 38.487 0.203 0.000 1.332 110 N HN 0.287 nan 8.380 nan 0.000 0.514 111 P HA 0.160 nan 4.420 nan 0.000 0.266 111 P C -2.226 174.891 177.300 -0.304 0.000 1.195 111 P CA -0.613 62.106 63.100 -0.635 0.000 0.768 111 P CB 0.562 31.724 31.700 -0.898 0.000 0.838 112 P HA 0.220 nan 4.420 nan 0.000 0.259 112 P C -0.433 176.729 177.300 -0.231 0.000 1.530 112 P CA -0.297 62.596 63.100 -0.345 0.000 1.022 112 P CB -0.040 31.442 31.700 -0.364 0.000 1.514 113 F N 1.057 121.115 119.950 0.180 0.000 2.382 113 F HA 0.296 4.838 4.527 0.024 0.000 0.331 113 F C 1.374 177.343 175.800 0.283 0.000 1.121 113 F CA -0.661 57.456 58.000 0.195 0.000 1.183 113 F CB 0.781 39.843 39.000 0.103 0.000 1.207 113 F HN -0.198 nan 8.300 nan 0.000 0.555 114 V N -0.743 119.442 119.914 0.453 0.000 3.113 114 V HA 0.708 4.842 4.120 0.023 0.000 0.316 114 V C -2.719 173.539 176.094 0.273 0.000 1.125 114 V CA -2.859 59.633 62.300 0.321 0.000 1.026 114 V CB 1.354 33.421 31.823 0.406 0.000 1.080 114 V HN 0.488 nan 8.190 nan 0.000 0.444 115 P HA 0.190 nan 4.420 nan 0.000 0.267 115 P C 1.037 178.475 177.300 0.229 0.000 1.200 115 P CA 0.530 63.720 63.100 0.150 0.000 0.772 115 P CB 0.540 32.296 31.700 0.093 0.000 0.855 116 T N -1.727 112.935 114.554 0.180 0.000 2.857 116 T HA -0.088 4.276 4.350 0.023 0.000 0.266 116 T C 0.612 175.419 174.700 0.178 0.000 1.048 116 T CA 0.790 63.001 62.100 0.185 0.000 1.139 116 T CB -0.551 68.393 68.868 0.126 0.000 0.874 116 T HN 0.385 nan 8.240 nan 0.000 0.455 117 E N 2.584 122.886 120.200 0.169 0.000 1.932 117 E HA 0.211 4.575 4.350 0.023 0.000 0.275 117 E C -0.794 175.954 176.600 0.246 0.000 1.159 117 E CA -0.332 56.172 56.400 0.173 0.000 0.905 117 E CB 0.108 29.913 29.700 0.176 0.000 1.059 117 E HN 0.247 nan 8.360 nan 0.000 0.400 118 N N 4.840 123.658 118.700 0.197 0.000 2.623 118 N HA 0.247 5.001 4.740 0.023 0.000 0.256 118 N C -2.847 172.673 175.510 0.016 0.000 1.045 118 N CA -2.459 50.735 53.050 0.241 0.000 0.863 118 N CB 1.156 39.779 38.487 0.226 0.000 1.182 118 N HN 0.061 nan 8.380 nan 0.000 0.523 119 P HA 0.019 nan 4.420 nan 0.000 0.260 119 P C -0.856 176.297 177.300 -0.244 0.000 1.172 119 P CA 0.505 63.495 63.100 -0.184 0.000 0.760 119 P CB 0.427 32.314 31.700 0.311 0.000 0.773 120 T N 2.742 116.884 114.554 -0.688 0.000 2.841 120 T HA 0.569 4.933 4.350 0.023 0.000 0.285 120 T C 0.176 174.329 174.700 -0.912 0.000 0.991 120 T CA -0.579 61.195 62.100 -0.545 0.000 0.966 120 T CB 1.610 70.222 68.868 -0.427 0.000 0.962 120 T HN 0.333 nan 8.240 nan 0.000 0.438 121 G N 0.955 109.278 108.800 -0.795 0.000 2.370 121 G HA2 0.477 4.451 3.960 0.023 0.000 0.317 121 G HA3 0.477 4.451 3.960 0.023 0.000 0.317 121 G C -0.279 174.355 174.900 -0.444 0.000 1.162 121 G CA -0.356 44.180 45.100 -0.940 0.000 0.922 121 G HN 0.869 nan 8.290 nan 0.000 0.454 122 C N 3.429 122.248 119.300 -0.801 0.000 2.203 122 C HA 0.470 4.944 4.460 0.023 0.000 0.325 122 C C -0.495 174.471 174.990 -0.039 0.000 1.156 122 C CA -0.914 57.802 59.018 -0.504 0.000 1.597 122 C CB -1.879 25.194 27.740 -1.111 0.000 2.148 122 C HN 0.622 nan 8.230 nan 0.000 0.472 123 Y N 1.775 122.355 120.300 0.467 0.000 2.457 123 Y HA 0.667 5.231 4.550 0.024 0.000 0.333 123 Y C 0.799 177.154 175.900 0.758 0.000 1.119 123 Y CA -0.306 58.186 58.100 0.653 0.000 1.143 123 Y CB 1.433 40.294 38.460 0.668 0.000 1.230 123 Y HN 0.641 nan 8.280 nan 0.000 0.469 124 S N 1.711 117.894 115.700 0.806 0.000 2.570 124 S HA 0.800 5.284 4.470 0.023 0.000 0.270 124 S C -1.953 172.683 174.600 0.060 0.000 1.149 124 S CA -0.806 57.620 58.200 0.378 0.000 0.837 124 S CB 2.163 65.475 63.200 0.187 0.000 1.124 124 S HN 0.607 nan 8.310 nan 0.000 0.465 125 L N 0.753 121.828 121.223 -0.246 0.000 2.482 125 L HA 0.738 5.092 4.340 0.023 0.000 0.263 125 L C -1.161 175.640 176.870 -0.114 0.000 0.957 125 L CA 0.127 54.672 54.840 -0.492 0.000 0.836 125 L CB 2.320 43.574 42.059 -1.342 0.000 1.324 125 L HN 0.910 nan 8.230 nan 0.000 0.406 126 T N 5.656 120.186 114.554 -0.040 0.000 2.758 126 T HA 0.765 5.129 4.350 0.023 0.000 0.285 126 T C -0.849 173.921 174.700 0.116 0.000 0.981 126 T CA -0.013 62.109 62.100 0.037 0.000 0.965 126 T CB 0.244 69.094 68.868 -0.029 0.000 0.927 126 T HN 0.472 nan 8.240 nan 0.000 0.448 127 F N 1.059 120.913 119.950 -0.160 0.000 2.711 127 F HA 0.731 5.272 4.527 0.024 0.000 0.313 127 F C -0.822 174.903 175.800 -0.126 0.000 1.141 127 F CA -1.584 56.324 58.000 -0.152 0.000 0.941 127 F CB 1.357 40.245 39.000 -0.187 0.000 1.349 127 F HN 0.363 nan 8.300 nan 0.000 0.464 128 N N -0.015 118.603 118.700 -0.136 0.000 2.466 128 N HA 0.678 5.432 4.740 0.023 0.000 0.294 128 N C -1.969 173.415 175.510 -0.209 0.000 1.129 128 N CA -0.485 52.423 53.050 -0.236 0.000 0.931 128 N CB 2.038 40.452 38.487 -0.122 0.000 1.193 128 N HN 0.649 nan 8.380 nan 0.000 0.500 129 V N 2.106 121.869 119.914 -0.251 0.000 2.525 129 V HA 0.268 4.402 4.120 0.023 0.000 0.299 129 V C -0.948 175.044 176.094 -0.170 0.000 1.034 129 V CA -0.986 61.182 62.300 -0.219 0.000 0.863 129 V CB 1.630 33.367 31.823 -0.144 0.000 0.999 129 V HN 0.721 nan 8.190 nan 0.000 0.423 130 D N 3.026 123.294 120.400 -0.219 0.000 2.424 130 D HA 0.062 4.716 4.640 0.023 0.000 0.244 130 D C 1.059 177.382 176.300 0.038 0.000 1.134 130 D CA 0.032 53.981 54.000 -0.084 0.000 0.881 130 D CB 1.778 42.543 40.800 -0.059 0.000 1.191 130 D HN 0.722 nan 8.370 nan 0.000 0.445 131 E N 1.443 121.669 120.200 0.044 0.000 2.209 131 E HA -0.196 4.168 4.350 0.023 0.000 0.196 131 E C 1.548 178.221 176.600 0.122 0.000 0.993 131 E CA 1.359 57.804 56.400 0.075 0.000 0.819 131 E CB -0.060 29.665 29.700 0.042 0.000 0.745 131 E HN 0.398 nan 8.360 nan 0.000 0.477 132 S N -1.170 114.612 115.700 0.138 0.000 2.442 132 S HA -0.137 4.347 4.470 0.023 0.000 0.236 132 S C 1.559 176.238 174.600 0.132 0.000 1.007 132 S CA 0.766 59.038 58.200 0.121 0.000 0.965 132 S CB -0.694 62.572 63.200 0.110 0.000 0.773 132 S HN 0.393 nan 8.310 nan 0.000 0.504 133 W N 1.405 122.656 121.300 -0.080 0.000 2.658 133 W HA 0.430 5.104 4.660 0.023 0.000 0.263 133 W C 1.835 178.462 176.519 0.181 0.000 1.274 133 W CA -0.244 57.065 57.345 -0.059 0.000 1.343 133 W CB -0.331 29.163 29.460 0.057 0.000 1.106 133 W HN 0.301 nan 8.180 nan 0.000 0.615 134 L N -0.128 121.287 121.223 0.320 0.000 2.470 134 L HA -0.003 4.351 4.340 0.023 0.000 0.219 134 L C 2.526 179.490 176.870 0.157 0.000 1.071 134 L CA 0.565 55.541 54.840 0.226 0.000 0.850 134 L CB -0.773 41.383 42.059 0.162 0.000 1.040 134 L HN 0.003 nan 8.230 nan 0.000 0.475 135 Q N 1.930 121.808 119.800 0.131 0.000 2.364 135 Q HA -0.078 4.276 4.340 0.023 0.000 0.207 135 Q C 0.102 176.156 176.000 0.089 0.000 0.970 135 Q CA 0.728 56.584 55.803 0.088 0.000 0.888 135 Q CB 0.010 28.786 28.738 0.064 0.000 0.951 135 Q HN 0.661 nan 8.270 nan 0.000 0.469 136 E N -1.544 118.733 120.200 0.129 0.000 2.407 136 E HA 0.543 4.907 4.350 0.023 0.000 0.279 136 E C -0.300 176.411 176.600 0.185 0.000 1.012 136 E CA -0.779 55.690 56.400 0.116 0.000 0.800 136 E CB 1.251 31.001 29.700 0.084 0.000 1.276 136 E HN 0.160 nan 8.360 nan 0.000 0.452 137 G N 0.766 109.610 108.800 0.073 0.000 2.741 137 G HA2 -0.240 3.734 3.960 0.023 0.000 0.222 137 G HA3 -0.240 3.734 3.960 0.023 0.000 0.222 137 G C -0.858 173.940 174.900 -0.170 0.000 1.364 137 G CA 0.045 45.089 45.100 -0.092 0.000 0.866 137 G HN 0.775 nan 8.290 nan 0.000 0.555 138 Q N -0.574 118.964 119.800 -0.436 0.000 2.340 138 Q HA 0.644 4.998 4.340 0.023 0.000 0.268 138 Q C -0.930 174.911 176.000 -0.264 0.000 1.031 138 Q CA -0.506 55.155 55.803 -0.236 0.000 0.804 138 Q CB 1.590 30.225 28.738 -0.171 0.000 1.286 138 Q HN 0.623 nan 8.270 nan 0.000 0.448 139 T N 4.895 119.469 114.554 0.033 0.000 2.758 139 T HA 0.481 4.845 4.350 0.023 0.000 0.285 139 T C -0.648 174.171 174.700 0.198 0.000 0.981 139 T CA -0.617 61.611 62.100 0.213 0.000 0.965 139 T CB 0.515 69.650 68.868 0.444 0.000 0.927 139 T HN 0.640 nan 8.240 nan 0.000 0.448 140 R N 2.908 123.516 120.500 0.180 0.000 2.854 140 R HA 0.778 5.132 4.340 0.023 0.000 0.271 140 R C -1.091 175.311 176.300 0.170 0.000 0.996 140 R CA -0.991 55.211 56.100 0.169 0.000 0.961 140 R CB 1.532 31.903 30.300 0.119 0.000 1.182 140 R HN 0.558 nan 8.270 nan 0.000 0.479 141 I N 2.380 123.051 120.570 0.169 0.000 2.460 141 I HA 0.448 4.632 4.170 0.023 0.000 0.298 141 I C -1.061 175.102 176.117 0.078 0.000 0.989 141 I CA -1.317 60.028 61.300 0.074 0.000 1.173 141 I CB 1.357 39.395 38.000 0.062 0.000 1.338 141 I HN 0.622 nan 8.210 nan 0.000 0.456 142 I N 7.154 127.671 120.570 -0.089 0.000 2.447 142 I HA 0.275 4.459 4.170 0.023 0.000 0.287 142 I C -1.282 174.684 176.117 -0.252 0.000 1.023 142 I CA -0.384 60.880 61.300 -0.060 0.000 1.083 142 I CB 1.515 39.491 38.000 -0.040 0.000 1.245 142 I HN 0.389 nan 8.210 nan 0.000 0.434 143 F N 4.592 124.534 119.950 -0.013 0.000 2.313 143 F HA 0.254 4.795 4.527 0.023 0.000 0.369 143 F C 1.321 177.009 175.800 -0.188 0.000 1.109 143 F CA -0.426 57.488 58.000 -0.142 0.000 1.132 143 F CB 0.590 39.459 39.000 -0.218 0.000 1.291 143 F HN 0.457 nan 8.300 nan 0.000 0.496 144 D N 2.293 122.601 120.400 -0.154 0.000 2.264 144 D HA 0.033 4.687 4.640 0.023 0.000 0.208 144 D C 1.022 177.150 176.300 -0.286 0.000 0.966 144 D CA 0.881 54.748 54.000 -0.221 0.000 0.864 144 D CB 0.371 40.977 40.800 -0.323 0.000 0.933 144 D HN 0.616 nan 8.370 nan 0.000 0.499 145 G N -0.495 108.081 108.800 -0.373 0.000 2.505 145 G HA2 0.438 4.412 3.960 0.023 0.000 0.292 145 G HA3 0.438 4.412 3.960 0.023 0.000 0.292 145 G C -1.470 173.170 174.900 -0.434 0.000 1.332 145 G CA -0.421 44.340 45.100 -0.566 0.000 1.286 145 G HN -0.060 nan 8.290 nan 0.000 0.606 146 V N 2.567 122.434 119.914 -0.079 0.000 2.524 146 V HA 0.498 4.632 4.120 0.023 0.000 0.297 146 V C -0.826 175.372 176.094 0.173 0.000 1.035 146 V CA -1.185 61.090 62.300 -0.041 0.000 0.867 146 V CB 1.890 33.449 31.823 -0.441 0.000 1.004 146 V HN 0.689 nan 8.190 nan 0.000 0.426 147 N N 2.627 121.425 118.700 0.164 0.000 2.476 147 N HA 0.321 5.075 4.740 0.023 0.000 0.257 147 N C 0.624 176.082 175.510 -0.087 0.000 0.970 147 N CA 0.203 53.251 53.050 -0.004 0.000 0.938 147 N CB 2.080 40.400 38.487 -0.277 0.000 1.144 147 N HN 0.699 nan 8.380 nan 0.000 0.500 148 S N 1.845 117.535 115.700 -0.017 0.000 2.549 148 S HA 0.567 5.051 4.470 0.023 0.000 0.225 148 S C 0.331 175.004 174.600 0.121 0.000 1.039 148 S CA 0.008 58.244 58.200 0.061 0.000 0.942 148 S CB 0.403 63.651 63.200 0.080 0.000 0.881 148 S HN 0.606 nan 8.310 nan 0.000 0.503 149 A N 0.907 123.810 122.820 0.139 0.000 2.606 149 A HA 0.789 5.123 4.320 0.023 0.000 0.293 149 A C -1.284 176.403 177.584 0.171 0.000 1.082 149 A CA -0.999 51.086 52.037 0.081 0.000 0.685 149 A CB 0.925 19.994 19.000 0.115 0.000 1.284 149 A HN 1.046 nan 8.150 nan 0.000 0.408 150 F N -0.621 119.158 119.950 -0.285 0.000 2.693 150 F HA 0.742 5.282 4.527 0.023 0.000 0.309 150 F C -1.014 174.690 175.800 -0.159 0.000 1.129 150 F CA -0.823 57.099 58.000 -0.129 0.000 0.948 150 F CB 1.193 40.103 39.000 -0.149 0.000 1.315 150 F HN 0.619 nan 8.300 nan 0.000 0.447 151 H N 1.804 121.010 119.070 0.226 0.000 2.499 151 H HA 0.706 5.276 4.556 0.024 0.000 0.340 151 H C -1.430 173.836 175.328 -0.104 0.000 1.148 151 H CA -0.707 55.348 56.048 0.012 0.000 1.215 151 H CB 2.512 32.268 29.762 -0.010 0.000 1.529 151 H HN 0.754 nan 8.280 nan 0.000 0.510 152 L N 2.783 123.757 121.223 -0.415 0.000 2.386 152 L HA 0.410 4.764 4.340 0.023 0.000 0.271 152 L C -1.639 174.927 176.870 -0.507 0.000 0.993 152 L CA -0.495 54.178 54.840 -0.278 0.000 0.819 152 L CB 1.610 43.374 42.059 -0.491 0.000 1.294 152 L HN 0.523 nan 8.230 nan 0.000 0.414 153 W N 4.044 125.308 121.300 -0.061 0.000 2.864 153 W HA 0.624 5.298 4.660 0.024 0.000 0.343 153 W C -1.201 175.254 176.519 -0.107 0.000 1.109 153 W CA -0.788 56.505 57.345 -0.086 0.000 1.192 153 W CB 2.112 31.565 29.460 -0.012 0.000 1.426 153 W HN 0.626 nan 8.180 nan 0.000 0.529 154 C N 4.329 123.697 119.300 0.113 0.000 2.446 154 C HA 0.300 4.774 4.460 0.023 0.000 0.329 154 C C 0.088 175.188 174.990 0.182 0.000 1.166 154 C CA -0.370 58.714 59.018 0.109 0.000 1.341 154 C CB -0.578 27.159 27.740 -0.006 0.000 1.970 154 C HN 0.805 nan 8.230 nan 0.000 0.452 155 N N 3.648 122.419 118.700 0.118 0.000 2.735 155 N HA -0.183 4.571 4.740 0.023 0.000 0.248 155 N C 0.966 176.535 175.510 0.098 0.000 1.083 155 N CA 2.039 55.137 53.050 0.081 0.000 0.703 155 N CB -1.350 37.189 38.487 0.087 0.000 1.005 155 N HN 1.903 nan 8.380 nan 0.000 0.550 156 G N -1.182 107.668 108.800 0.084 0.000 2.234 156 G HA2 -0.371 3.603 3.960 0.023 0.000 0.260 156 G HA3 -0.371 3.603 3.960 0.023 0.000 0.260 156 G C 0.129 175.187 174.900 0.263 0.000 0.987 156 G CA 0.689 45.839 45.100 0.084 0.000 0.625 156 G HN 0.572 nan 8.290 nan 0.000 0.532 157 R N -0.957 119.757 120.500 0.357 0.000 2.460 157 R HA 0.463 4.817 4.340 0.023 0.000 0.303 157 R C -0.208 176.393 176.300 0.502 0.000 0.968 157 R CA -0.867 55.515 56.100 0.470 0.000 0.889 157 R CB 1.166 31.757 30.300 0.484 0.000 1.123 157 R HN 0.218 nan 8.270 nan 0.000 0.455 158 W N 3.468 124.931 121.300 0.271 0.000 2.308 158 W HA 0.058 4.732 4.660 0.023 0.000 0.324 158 W C 0.073 176.480 176.519 -0.187 0.000 1.387 158 W CA 0.076 57.290 57.345 -0.218 0.000 1.250 158 W CB 0.631 29.927 29.460 -0.273 0.000 1.257 158 W HN 0.345 nan 8.180 nan 0.000 0.554 159 V N 5.486 124.644 119.914 -1.260 0.000 2.599 159 V HA 0.541 4.675 4.120 0.023 0.000 0.237 159 V C 1.115 176.190 176.094 -1.700 0.000 1.081 159 V CA 1.056 62.570 62.300 -1.309 0.000 1.107 159 V CB -0.565 30.547 31.823 -1.185 0.000 0.808 159 V HN 0.819 nan 8.190 nan 0.000 0.486 160 G N -1.809 105.766 108.800 -2.043 0.000 2.428 160 G HA2 0.477 4.451 3.960 0.023 0.000 0.304 160 G HA3 0.477 4.451 3.960 0.023 0.000 0.304 160 G C -2.433 171.983 174.900 -0.805 0.000 1.303 160 G CA -0.244 44.047 45.100 -1.348 0.000 0.825 160 G HN 0.067 nan 8.290 nan 0.000 0.484 161 Y N -0.536 119.489 120.300 -0.458 0.000 2.562 161 Y HA 0.726 5.289 4.550 0.023 0.000 0.345 161 Y C -0.115 175.546 175.900 -0.398 0.000 1.045 161 Y CA -0.076 57.711 58.100 -0.522 0.000 1.028 161 Y CB 2.235 40.557 38.460 -0.230 0.000 1.297 161 Y HN 1.302 nan 8.280 nan 0.000 0.463 162 G N 3.595 111.494 108.800 -1.500 0.000 2.720 162 G HA2 0.573 4.547 3.960 0.023 0.000 0.295 162 G HA3 0.573 4.547 3.960 0.023 0.000 0.295 162 G C -2.182 172.248 174.900 -0.784 0.000 1.437 162 G CA -0.922 43.655 45.100 -0.871 0.000 0.886 162 G HN 0.645 nan 8.290 nan 0.000 0.509 163 Q N -0.231 119.368 119.800 -0.335 0.000 2.633 163 Q HA 0.627 4.981 4.340 0.023 0.000 0.292 163 Q C -1.352 174.652 176.000 0.007 0.000 1.089 163 Q CA -0.885 54.853 55.803 -0.108 0.000 0.811 163 Q CB 2.645 31.375 28.738 -0.013 0.000 1.472 163 Q HN 0.633 nan 8.270 nan 0.000 0.464 164 D N -0.204 120.239 120.400 0.071 0.000 4.303 164 D HA -0.095 4.559 4.640 0.023 0.000 0.230 164 D C -0.596 175.774 176.300 0.116 0.000 1.172 164 D CA 0.408 54.465 54.000 0.095 0.000 1.001 164 D CB -0.666 40.172 40.800 0.064 0.000 0.641 164 D HN 0.540 nan 8.370 nan 0.000 0.296 165 S N 3.259 119.044 115.700 0.141 0.000 2.603 165 S HA -0.034 4.450 4.470 0.023 0.000 0.229 165 S C 1.522 176.258 174.600 0.226 0.000 0.972 165 S CA 0.407 58.721 58.200 0.190 0.000 0.935 165 S CB 0.281 63.570 63.200 0.148 0.000 0.769 165 S HN 0.455 nan 8.310 nan 0.000 0.536 166 R N 0.250 120.843 120.500 0.155 0.000 2.543 166 R HA 0.433 4.787 4.340 0.023 0.000 0.323 166 R C -0.444 175.913 176.300 0.095 0.000 1.002 166 R CA 0.059 56.246 56.100 0.144 0.000 1.106 166 R CB 0.199 30.610 30.300 0.184 0.000 1.280 166 R HN 0.325 nan 8.270 nan 0.000 0.549 167 L N 1.594 122.846 121.223 0.048 0.000 2.371 167 L HA 0.502 4.856 4.340 0.023 0.000 0.262 167 L C -2.389 174.461 176.870 -0.033 0.000 1.006 167 L CA -2.291 52.549 54.840 -0.000 0.000 0.818 167 L CB 2.992 45.045 42.059 -0.010 0.000 1.354 167 L HN -0.199 nan 8.230 nan 0.000 0.415 168 P HA 0.102 nan 4.420 nan 0.000 0.271 168 P C -0.987 176.284 177.300 -0.048 0.000 1.216 168 P CA -0.181 62.876 63.100 -0.072 0.000 0.776 168 P CB 1.098 32.718 31.700 -0.134 0.000 0.881 169 S N 1.852 117.584 115.700 0.053 0.000 2.478 169 S HA 0.358 4.842 4.470 0.023 0.000 0.312 169 S C -0.406 174.166 174.600 -0.048 0.000 1.094 169 S CA -0.594 57.600 58.200 -0.010 0.000 1.081 169 S CB 1.071 64.420 63.200 0.249 0.000 1.007 169 S HN 0.385 nan 8.310 nan 0.000 0.475 170 E N 1.639 121.596 120.200 -0.406 0.000 2.288 170 E HA 0.626 4.990 4.350 0.023 0.000 0.268 170 E C -1.508 174.691 176.600 -0.668 0.000 0.885 170 E CA -0.618 55.624 56.400 -0.263 0.000 0.767 170 E CB 1.808 31.452 29.700 -0.092 0.000 1.220 170 E HN 0.423 nan 8.360 nan 0.000 0.427 171 F N 0.410 120.419 119.950 0.098 0.000 2.591 171 F HA 0.199 4.740 4.527 0.024 0.000 0.309 171 F C -0.258 175.575 175.800 0.056 0.000 1.098 171 F CA -1.089 56.934 58.000 0.039 0.000 0.937 171 F CB 1.617 40.606 39.000 -0.018 0.000 1.250 171 F HN 0.263 nan 8.300 nan 0.000 0.447 172 D N 2.728 123.266 120.400 0.230 0.000 2.325 172 D HA 0.260 4.914 4.640 0.023 0.000 0.251 172 D C 0.227 176.686 176.300 0.265 0.000 1.196 172 D CA 0.246 54.367 54.000 0.202 0.000 0.866 172 D CB 1.023 41.918 40.800 0.158 0.000 1.101 172 D HN 0.582 nan 8.370 nan 0.000 0.476 173 L N 2.835 124.218 121.223 0.267 0.000 2.667 173 L HA 0.045 4.399 4.340 0.023 0.000 0.232 173 L C 2.074 179.189 176.870 0.408 0.000 1.138 173 L CA -0.175 54.874 54.840 0.350 0.000 0.921 173 L CB 0.085 42.293 42.059 0.248 0.000 1.180 173 L HN 0.284 nan 8.230 nan 0.000 0.487 174 S N 1.364 117.238 115.700 0.290 0.000 2.372 174 S HA -0.284 4.200 4.470 0.023 0.000 0.227 174 S C 2.053 176.750 174.600 0.163 0.000 1.044 174 S CA 1.926 60.249 58.200 0.206 0.000 1.050 174 S CB -0.124 63.154 63.200 0.131 0.000 0.901 174 S HN 0.576 nan 8.310 nan 0.000 0.447 175 A N -0.590 122.299 122.820 0.116 0.000 2.208 175 A HA 0.283 4.617 4.320 0.023 0.000 0.209 175 A C 1.355 178.825 177.584 -0.190 0.000 1.161 175 A CA 0.439 52.427 52.037 -0.083 0.000 0.782 175 A CB -0.416 18.435 19.000 -0.249 0.000 0.816 175 A HN 0.490 nan 8.150 nan 0.000 0.477 176 F N -0.685 119.305 119.950 0.067 0.000 2.731 176 F HA 0.365 4.906 4.527 0.023 0.000 0.298 176 F C 0.664 176.499 175.800 0.058 0.000 1.106 176 F CA -0.113 57.925 58.000 0.064 0.000 1.329 176 F CB 0.066 39.110 39.000 0.073 0.000 1.100 176 F HN -0.025 nan 8.300 nan 0.000 0.592 177 L N 0.866 122.235 121.223 0.244 0.000 2.416 177 L HA 0.553 4.907 4.340 0.023 0.000 0.262 177 L C 0.052 176.963 176.870 0.068 0.000 1.093 177 L CA -0.821 54.103 54.840 0.141 0.000 0.801 177 L CB 1.202 43.354 42.059 0.154 0.000 1.191 177 L HN 0.008 nan 8.230 nan 0.000 0.459 178 R N 0.765 121.269 120.500 0.007 0.000 2.771 178 R HA 0.792 5.146 4.340 0.023 0.000 0.274 178 R C -1.110 175.166 176.300 -0.040 0.000 0.987 178 R CA -0.922 55.173 56.100 -0.008 0.000 0.908 178 R CB 1.497 31.782 30.300 -0.025 0.000 1.213 178 R HN 0.554 nan 8.270 nan 0.000 0.468 179 A N 1.404 124.211 122.820 -0.021 0.000 2.531 179 A HA 0.489 4.823 4.320 0.023 0.000 0.236 179 A C 1.054 178.593 177.584 -0.075 0.000 1.062 179 A CA 1.164 53.179 52.037 -0.036 0.000 0.760 179 A CB -0.708 18.285 19.000 -0.012 0.000 0.995 179 A HN 1.398 nan 8.150 nan 0.000 0.501 180 G N 1.269 110.006 108.800 -0.105 0.000 2.464 180 G HA2 -0.061 3.913 3.960 0.023 0.000 0.216 180 G HA3 -0.061 3.913 3.960 0.023 0.000 0.216 180 G C -0.467 174.312 174.900 -0.202 0.000 1.186 180 G CA -0.129 44.896 45.100 -0.125 0.000 1.010 180 G HN 0.888 nan 8.290 nan 0.000 0.585 181 E N 1.942 122.029 120.200 -0.188 0.000 2.338 181 E HA 0.445 4.809 4.350 0.023 0.000 0.272 181 E C 0.233 176.635 176.600 -0.329 0.000 1.029 181 E CA -0.055 56.194 56.400 -0.252 0.000 0.872 181 E CB 0.690 30.291 29.700 -0.165 0.000 1.015 181 E HN 0.484 nan 8.360 nan 0.000 0.417 182 N N 1.938 120.308 118.700 -0.550 0.000 2.357 182 N HA 0.377 5.131 4.740 0.023 0.000 0.284 182 N C -0.803 174.467 175.510 -0.400 0.000 1.236 182 N CA -0.655 52.071 53.050 -0.540 0.000 0.774 182 N CB 2.702 40.695 38.487 -0.823 0.000 1.534 182 N HN 0.192 nan 8.380 nan 0.000 0.478 183 R N 1.646 122.074 120.500 -0.119 0.000 2.476 183 R HA 0.481 4.835 4.340 0.023 0.000 0.305 183 R C -1.226 175.144 176.300 0.116 0.000 0.965 183 R CA -0.463 55.649 56.100 0.020 0.000 0.867 183 R CB 0.928 31.195 30.300 -0.055 0.000 1.176 183 R HN 0.484 nan 8.270 nan 0.000 0.447 184 L N 3.145 124.481 121.223 0.189 0.000 2.343 184 L HA 0.742 5.096 4.340 0.023 0.000 0.275 184 L C -0.211 176.713 176.870 0.090 0.000 1.056 184 L CA -0.891 54.047 54.840 0.164 0.000 0.804 184 L CB 1.890 44.032 42.059 0.139 0.000 1.203 184 L HN 0.749 nan 8.230 nan 0.000 0.440 185 A N 3.010 125.907 122.820 0.129 0.000 2.359 185 A HA 0.753 5.087 4.320 0.023 0.000 0.303 185 A C -1.086 176.797 177.584 0.498 0.000 1.066 185 A CA -0.448 51.602 52.037 0.022 0.000 0.730 185 A CB 1.623 20.132 19.000 -0.818 0.000 1.211 185 A HN 0.372 nan 8.150 nan 0.000 0.439 186 V N 3.444 123.810 119.914 0.754 0.000 2.443 186 V HA 0.476 4.610 4.120 0.023 0.000 0.293 186 V C -0.129 176.476 176.094 0.852 0.000 1.021 186 V CA -0.301 62.427 62.300 0.714 0.000 0.848 186 V CB 1.564 33.633 31.823 0.409 0.000 0.998 186 V HN 0.969 nan 8.190 nan 0.000 0.424 187 M N 5.875 125.998 119.600 0.873 0.000 2.088 187 M HA 0.588 5.082 4.480 0.023 0.000 0.346 187 M C -1.423 175.136 176.300 0.432 0.000 1.111 187 M CA -0.405 55.229 55.300 0.558 0.000 1.017 187 M CB 1.264 34.219 32.600 0.591 0.000 1.568 187 M HN 0.475 nan 8.290 nan 0.000 0.445 188 V N 6.848 126.974 119.914 0.353 0.000 2.370 188 V HA 0.374 4.508 4.120 0.023 0.000 0.279 188 V C -0.078 176.174 176.094 0.264 0.000 1.029 188 V CA -0.692 61.826 62.300 0.363 0.000 0.870 188 V CB 1.366 33.513 31.823 0.540 0.000 0.984 188 V HN 0.806 nan 8.190 nan 0.000 0.451 189 L N 5.018 126.331 121.223 0.151 0.000 2.276 189 L HA 0.478 4.832 4.340 0.023 0.000 0.286 189 L C 1.603 178.498 176.870 0.042 0.000 1.061 189 L CA -0.299 54.549 54.840 0.014 0.000 0.807 189 L CB 1.029 43.006 42.059 -0.138 0.000 1.177 189 L HN 0.659 nan 8.230 nan 0.000 0.429 190 R N 3.052 123.536 120.500 -0.026 0.000 2.073 190 R HA -0.073 4.281 4.340 0.023 0.000 0.234 190 R C -0.358 175.648 176.300 -0.490 0.000 1.134 190 R CA 1.400 57.264 56.100 -0.394 0.000 0.952 190 R CB 0.200 30.082 30.300 -0.697 0.000 0.850 190 R HN 0.563 nan 8.270 nan 0.000 0.433 191 W N 0.086 121.450 121.300 0.107 0.000 2.606 191 W HA 0.437 5.111 4.660 0.023 0.000 0.332 191 W C -0.391 176.234 176.519 0.177 0.000 1.052 191 W CA -0.790 56.623 57.345 0.113 0.000 1.223 191 W CB 1.763 31.289 29.460 0.111 0.000 1.383 191 W HN 0.018 nan 8.180 nan 0.000 0.524 192 S N -1.107 114.874 115.700 0.468 0.000 2.672 192 S HA 0.203 4.687 4.470 0.023 0.000 0.271 192 S C 0.074 174.932 174.600 0.430 0.000 1.171 192 S CA -0.470 58.021 58.200 0.484 0.000 0.817 192 S CB 1.179 64.642 63.200 0.438 0.000 1.150 192 S HN 0.634 nan 8.310 nan 0.000 0.478 193 D N 0.374 121.034 120.400 0.433 0.000 2.263 193 D HA 0.060 4.714 4.640 0.023 0.000 0.208 193 D C 1.756 178.380 176.300 0.539 0.000 0.971 193 D CA 1.189 55.501 54.000 0.520 0.000 0.867 193 D CB -0.672 40.295 40.800 0.278 0.000 0.929 193 D HN 0.701 nan 8.370 nan 0.000 0.492 194 G N 0.187 109.216 108.800 0.383 0.000 2.448 194 G HA2 -0.263 3.711 3.960 0.023 0.000 0.219 194 G HA3 -0.263 3.711 3.960 0.023 0.000 0.219 194 G C 1.692 176.787 174.900 0.325 0.000 1.127 194 G CA 0.721 46.021 45.100 0.333 0.000 0.766 194 G HN 0.324 nan 8.290 nan 0.000 0.552 195 S N -0.119 115.756 115.700 0.292 0.000 2.442 195 S HA -0.091 4.394 4.470 0.023 0.000 0.236 195 S C 1.827 176.547 174.600 0.200 0.000 1.007 195 S CA 0.622 58.965 58.200 0.238 0.000 0.965 195 S CB -0.383 62.960 63.200 0.238 0.000 0.773 195 S HN 0.556 nan 8.310 nan 0.000 0.504 196 Y N 0.992 121.436 120.300 0.240 0.000 2.509 196 Y HA 0.144 4.708 4.550 0.023 0.000 0.293 196 Y C 1.530 177.556 175.900 0.209 0.000 1.133 196 Y CA 0.578 58.750 58.100 0.120 0.000 1.283 196 Y CB -0.121 38.267 38.460 -0.122 0.000 1.001 196 Y HN 0.198 nan 8.280 nan 0.000 0.555 197 L N -0.319 121.114 121.223 0.350 0.000 2.700 197 L HA 0.151 4.505 4.340 0.023 0.000 0.234 197 L C -0.030 176.988 176.870 0.248 0.000 1.156 197 L CA 0.405 55.404 54.840 0.265 0.000 0.946 197 L CB 0.150 42.372 42.059 0.272 0.000 1.216 197 L HN 0.120 nan 8.230 nan 0.000 0.493 198 E N -0.072 120.289 120.200 0.268 0.000 4.044 198 E HA 0.042 4.406 4.350 0.023 0.000 0.216 198 E C -0.511 176.209 176.600 0.200 0.000 1.104 198 E CA -0.062 56.479 56.400 0.235 0.000 1.383 198 E CB 0.545 30.377 29.700 0.219 0.000 1.195 198 E HN 0.018 nan 8.360 nan 0.000 0.442 199 D N 1.096 121.573 120.400 0.128 0.000 2.706 199 D HA 0.035 4.689 4.640 0.023 0.000 0.236 199 D C -0.233 176.075 176.300 0.013 0.000 1.231 199 D CA -0.123 53.845 54.000 -0.054 0.000 0.828 199 D CB 0.157 40.669 40.800 -0.479 0.000 1.015 199 D HN 0.076 nan 8.370 nan 0.000 0.484 200 Q N 0.510 120.406 119.800 0.160 0.000 2.395 200 Q HA 0.087 4.441 4.340 0.023 0.000 0.271 200 Q C -0.033 176.097 176.000 0.216 0.000 1.026 200 Q CA 0.140 56.101 55.803 0.263 0.000 0.900 200 Q CB 0.610 29.643 28.738 0.491 0.000 1.266 200 Q HN 0.055 nan 8.270 nan 0.000 0.430 201 D N 3.459 124.010 120.400 0.252 0.000 2.489 201 D HA 0.130 4.784 4.640 0.023 0.000 0.237 201 D C -0.783 175.690 176.300 0.289 0.000 1.212 201 D CA 0.194 54.343 54.000 0.248 0.000 1.058 201 D CB -0.468 40.481 40.800 0.249 0.000 1.098 201 D HN 0.505 nan 8.370 nan 0.000 0.509 202 M N 0.017 119.748 119.600 0.219 0.000 3.012 202 M HA 0.380 4.874 4.480 0.023 0.000 0.272 202 M C -1.293 175.068 176.300 0.102 0.000 1.187 202 M CA -1.179 54.139 55.300 0.031 0.000 0.813 202 M CB 1.044 33.578 32.600 -0.110 0.000 1.626 202 M HN -0.131 nan 8.290 nan 0.000 0.507 203 W N 2.064 123.413 121.300 0.081 0.000 2.223 203 W HA 0.290 4.964 4.660 0.023 0.000 0.334 203 W C 0.257 176.792 176.519 0.026 0.000 1.334 203 W CA 0.040 57.437 57.345 0.088 0.000 1.246 203 W CB 0.326 29.772 29.460 -0.023 0.000 1.184 203 W HN 0.280 nan 8.180 nan 0.000 0.563 204 R N 4.890 125.559 120.500 0.281 0.000 2.198 204 R HA 0.440 4.794 4.340 0.023 0.000 0.339 204 R C -0.130 176.184 176.300 0.023 0.000 1.020 204 R CA -0.252 55.940 56.100 0.154 0.000 0.864 204 R CB 0.275 30.736 30.300 0.268 0.000 1.105 204 R HN 0.556 nan 8.270 nan 0.000 0.463 205 M N 0.270 119.770 119.600 -0.167 0.000 2.788 205 M HA 0.520 5.014 4.480 0.023 0.000 0.291 205 M C -0.096 175.863 176.300 -0.570 0.000 1.213 205 M CA -0.855 54.224 55.300 -0.368 0.000 0.768 205 M CB 2.462 34.839 32.600 -0.371 0.000 1.766 205 M HN 0.643 nan 8.290 nan 0.000 0.460 206 S N -1.065 114.153 115.700 -0.803 0.000 2.615 206 S HA 0.983 5.467 4.470 0.023 0.000 0.269 206 S C -0.587 173.474 174.600 -0.898 0.000 1.161 206 S CA -0.158 57.488 58.200 -0.923 0.000 0.817 206 S CB 1.971 64.475 63.200 -1.161 0.000 1.131 206 S HN 1.463 nan 8.310 nan 0.000 0.467 207 G N -0.092 108.428 108.800 -0.466 0.000 2.331 207 G HA2 0.181 4.155 3.960 0.023 0.000 0.402 207 G HA3 0.181 4.155 3.960 0.023 0.000 0.402 207 G C -1.485 173.439 174.900 0.040 0.000 1.275 207 G CA -0.646 44.478 45.100 0.040 0.000 1.003 207 G HN 1.103 nan 8.290 nan 0.000 0.500 208 I N 2.034 122.494 120.570 -0.184 0.000 2.256 208 I HA 0.284 4.468 4.170 0.023 0.000 0.294 208 I C 1.069 177.053 176.117 -0.223 0.000 1.127 208 I CA -0.217 60.849 61.300 -0.391 0.000 1.247 208 I CB -0.138 37.344 38.000 -0.863 0.000 1.460 208 I HN 0.513 nan 8.210 nan 0.000 0.511 209 F N 4.405 124.198 119.950 -0.262 0.000 2.695 209 F HA 0.482 5.023 4.527 0.023 0.000 0.303 209 F C 0.625 176.335 175.800 -0.150 0.000 1.091 209 F CA -0.559 57.319 58.000 -0.204 0.000 1.300 209 F CB 0.144 39.029 39.000 -0.193 0.000 1.071 209 F HN 0.139 nan 8.300 nan 0.000 0.578 210 R N 0.276 120.358 120.500 -0.696 0.000 2.905 210 R HA 0.244 4.598 4.340 0.023 0.000 0.260 210 R C -0.841 175.235 176.300 -0.373 0.000 1.086 210 R CA -1.189 54.598 56.100 -0.521 0.000 0.978 210 R CB 0.704 30.605 30.300 -0.664 0.000 1.215 210 R HN -0.053 nan 8.270 nan 0.000 0.480 211 D N 0.776 121.002 120.400 -0.289 0.000 2.443 211 D HA 0.088 4.742 4.640 0.023 0.000 0.234 211 D C -0.515 175.627 176.300 -0.262 0.000 1.172 211 D CA 0.496 54.364 54.000 -0.221 0.000 0.878 211 D CB 0.649 41.358 40.800 -0.152 0.000 1.204 211 D HN -0.009 nan 8.370 nan 0.000 0.453 212 V N 1.230 120.996 119.914 -0.246 0.000 2.487 212 V HA 0.537 4.671 4.120 0.023 0.000 0.298 212 V C 0.040 175.999 176.094 -0.225 0.000 1.028 212 V CA -0.538 61.556 62.300 -0.343 0.000 0.860 212 V CB 1.572 33.184 31.823 -0.350 0.000 0.991 212 V HN 0.757 nan 8.190 nan 0.000 0.427 213 S N 4.919 120.473 115.700 -0.242 0.000 2.607 213 S HA 0.840 5.324 4.470 0.023 0.000 0.273 213 S C -1.321 173.224 174.600 -0.092 0.000 1.148 213 S CA -0.934 57.194 58.200 -0.121 0.000 0.833 213 S CB 1.878 65.043 63.200 -0.060 0.000 1.130 213 S HN 0.444 nan 8.310 nan 0.000 0.470 214 L N 1.516 122.747 121.223 0.013 0.000 2.322 214 L HA 0.700 5.054 4.340 0.023 0.000 0.281 214 L C -1.261 175.804 176.870 0.325 0.000 1.014 214 L CA -0.849 54.081 54.840 0.150 0.000 0.815 214 L CB 1.657 43.800 42.059 0.141 0.000 1.247 214 L HN 0.703 nan 8.230 nan 0.000 0.421 215 L N 3.155 124.554 121.223 0.294 0.000 2.385 215 L HA 0.464 4.818 4.340 0.023 0.000 0.273 215 L C -0.699 176.235 176.870 0.108 0.000 0.990 215 L CA -0.144 54.815 54.840 0.199 0.000 0.821 215 L CB 1.490 43.613 42.059 0.107 0.000 1.279 215 L HN 0.491 nan 8.230 nan 0.000 0.412 216 H N 5.395 124.288 119.070 -0.295 0.000 2.552 216 H HA 0.457 5.028 4.556 0.024 0.000 0.311 216 H C -1.213 173.914 175.328 -0.335 0.000 1.071 216 H CA -0.494 55.245 56.048 -0.514 0.000 1.307 216 H CB 1.012 29.959 29.762 -1.359 0.000 1.416 216 H HN 0.545 nan 8.280 nan 0.000 0.464 217 K N 5.636 125.670 120.400 -0.609 0.000 2.328 217 K HA 0.379 4.713 4.320 0.023 0.000 0.246 217 K C -2.699 173.642 176.600 -0.433 0.000 0.955 217 K CA -2.035 54.026 56.287 -0.377 0.000 0.817 217 K CB 2.123 34.470 32.500 -0.256 0.000 1.208 217 K HN 0.485 nan 8.250 nan 0.000 0.432 218 P HA 0.146 nan 4.420 nan 0.000 0.274 218 P C 0.497 177.721 177.300 -0.126 0.000 1.246 218 P CA -0.178 62.852 63.100 -0.116 0.000 0.795 218 P CB 0.448 32.120 31.700 -0.048 0.000 1.006 219 T N -0.957 113.549 114.554 -0.081 0.000 2.788 219 T HA -0.051 4.313 4.350 0.023 0.000 0.268 219 T C 0.631 175.289 174.700 -0.070 0.000 1.044 219 T CA 1.625 63.683 62.100 -0.069 0.000 1.139 219 T CB -0.568 68.278 68.868 -0.036 0.000 0.867 219 T HN 0.422 nan 8.240 nan 0.000 0.454 220 T N 3.707 118.226 114.554 -0.058 0.000 2.762 220 T HA 0.448 4.812 4.350 0.023 0.000 0.303 220 T C -0.248 174.408 174.700 -0.074 0.000 0.977 220 T CA -0.613 61.446 62.100 -0.069 0.000 0.961 220 T CB 0.537 69.381 68.868 -0.040 0.000 0.944 220 T HN 0.484 nan 8.240 nan 0.000 0.481 221 Q N 2.466 122.204 119.800 -0.103 0.000 2.565 221 Q HA 0.607 4.961 4.340 0.023 0.000 0.294 221 Q C -1.192 174.740 176.000 -0.113 0.000 1.005 221 Q CA -1.188 54.546 55.803 -0.116 0.000 0.771 221 Q CB 1.293 29.941 28.738 -0.151 0.000 1.486 221 Q HN 0.436 nan 8.270 nan 0.000 0.422 222 I N 2.542 123.027 120.570 -0.143 0.000 2.436 222 I HA 0.016 4.200 4.170 0.023 0.000 0.289 222 I C 0.743 176.771 176.117 -0.148 0.000 1.083 222 I CA 0.090 61.326 61.300 -0.106 0.000 1.372 222 I CB 1.017 38.910 38.000 -0.178 0.000 1.408 222 I HN 0.877 nan 8.210 nan 0.000 0.516 223 S N 2.599 118.314 115.700 0.023 0.000 2.511 223 S HA 0.212 4.696 4.470 0.023 0.000 0.214 223 S C 0.139 174.948 174.600 0.348 0.000 0.997 223 S CA -0.292 57.988 58.200 0.134 0.000 0.908 223 S CB 0.288 63.523 63.200 0.057 0.000 0.803 223 S HN 0.714 nan 8.310 nan 0.000 0.504 224 D N -0.173 120.427 120.400 0.334 0.000 2.720 224 D HA 0.498 5.152 4.640 0.023 0.000 0.239 224 D C -1.916 174.547 176.300 0.272 0.000 1.218 224 D CA -0.686 53.497 54.000 0.305 0.000 0.748 224 D CB 1.564 42.431 40.800 0.112 0.000 1.387 224 D HN 0.212 nan 8.370 nan 0.000 0.438 225 F N -0.506 119.488 119.950 0.072 0.000 2.635 225 F HA 0.607 5.148 4.527 0.024 0.000 0.314 225 F C -1.488 174.348 175.800 0.060 0.000 1.119 225 F CA -0.808 57.173 58.000 -0.032 0.000 1.000 225 F CB 1.216 40.251 39.000 0.058 0.000 1.278 225 F HN 0.227 nan 8.300 nan 0.000 0.446 226 H N 1.984 121.112 119.070 0.096 0.000 2.529 226 H HA 0.755 5.325 4.556 0.024 0.000 0.348 226 H C -1.274 174.085 175.328 0.052 0.000 1.079 226 H CA -1.505 54.535 56.048 -0.012 0.000 1.198 226 H CB 2.659 32.404 29.762 -0.028 0.000 1.521 226 H HN 0.608 nan 8.280 nan 0.000 0.514 227 V N 2.261 122.263 119.914 0.146 0.000 2.448 227 V HA 0.653 4.787 4.120 0.023 0.000 0.295 227 V C -0.248 175.836 176.094 -0.017 0.000 1.025 227 V CA -0.582 61.760 62.300 0.069 0.000 0.859 227 V CB 1.354 33.211 31.823 0.056 0.000 0.988 227 V HN 0.932 nan 8.190 nan 0.000 0.431 228 A N 3.237 126.027 122.820 -0.049 0.000 2.374 228 A HA 0.950 5.284 4.320 0.023 0.000 0.317 228 A C -0.117 177.365 177.584 -0.170 0.000 1.094 228 A CA -0.504 51.483 52.037 -0.083 0.000 0.765 228 A CB 1.904 20.877 19.000 -0.045 0.000 1.268 228 A HN 0.947 nan 8.150 nan 0.000 0.438 229 T N -0.041 114.392 114.554 -0.202 0.000 2.906 229 T HA 0.696 5.060 4.350 0.023 0.000 0.302 229 T C -0.542 173.933 174.700 -0.375 0.000 1.002 229 T CA -0.651 61.235 62.100 -0.357 0.000 0.988 229 T CB 0.759 69.314 68.868 -0.522 0.000 0.972 229 T HN 0.686 nan 8.240 nan 0.000 0.447 230 R N 2.072 122.301 120.500 -0.451 0.000 2.732 230 R HA 0.827 5.181 4.340 0.023 0.000 0.278 230 R C -1.089 174.864 176.300 -0.578 0.000 0.976 230 R CA -0.717 55.197 56.100 -0.309 0.000 0.963 230 R CB 1.473 31.702 30.300 -0.118 0.000 1.150 230 R HN 0.553 nan 8.270 nan 0.000 0.478 231 F N 0.126 120.070 119.950 -0.009 0.000 2.640 231 F HA 0.355 4.894 4.527 0.021 0.000 0.324 231 F C 0.420 176.097 175.800 -0.205 0.000 1.077 231 F CA -1.132 56.811 58.000 -0.096 0.000 0.965 231 F CB 1.063 39.941 39.000 -0.204 0.000 1.351 231 F HN 0.547 nan 8.300 nan 0.000 0.487 232 N N 0.025 118.721 118.700 -0.005 0.000 2.364 232 N HA 0.043 4.797 4.740 0.023 0.000 0.264 232 N C 0.504 175.852 175.510 -0.269 0.000 1.263 232 N CA -0.081 52.912 53.050 -0.095 0.000 0.959 232 N CB 0.087 38.544 38.487 -0.049 0.000 1.204 232 N HN 0.688 nan 8.380 nan 0.000 0.550 233 D N -1.278 119.011 120.400 -0.184 0.000 2.182 233 D HA -0.233 4.421 4.640 0.023 0.000 0.201 233 D C 0.219 176.404 176.300 -0.191 0.000 0.986 233 D CA 1.537 55.429 54.000 -0.181 0.000 0.847 233 D CB -0.513 40.248 40.800 -0.064 0.000 0.942 233 D HN 0.737 nan 8.370 nan 0.000 0.467 234 D N -1.735 118.596 120.400 -0.114 0.000 2.462 234 D HA 0.039 4.693 4.640 0.023 0.000 0.221 234 D C 0.114 176.532 176.300 0.196 0.000 1.173 234 D CA -0.942 53.105 54.000 0.077 0.000 0.831 234 D CB -1.062 39.795 40.800 0.094 0.000 1.001 234 D HN 0.180 nan 8.370 nan 0.000 0.499 235 F N 0.346 120.335 119.950 0.066 0.000 2.988 235 F HA -0.291 4.249 4.527 0.022 0.000 0.287 235 F C 1.611 177.478 175.800 0.112 0.000 0.781 235 F CA 0.827 58.868 58.000 0.070 0.000 1.221 235 F CB -2.448 36.488 39.000 -0.106 0.000 1.392 235 F HN 0.216 nan 8.300 nan 0.000 0.425 236 S N -0.985 114.805 115.700 0.150 0.000 2.524 236 S HA 0.233 4.717 4.470 0.023 0.000 0.216 236 S C 0.667 175.316 174.600 0.083 0.000 0.987 236 S CA -0.167 58.101 58.200 0.113 0.000 0.909 236 S CB 0.412 63.657 63.200 0.075 0.000 0.781 236 S HN 0.346 nan 8.310 nan 0.000 0.521 237 R N 0.639 121.193 120.500 0.091 0.000 2.673 237 R HA 0.834 5.188 4.340 0.023 0.000 0.281 237 R C -1.240 175.095 176.300 0.058 0.000 0.991 237 R CA -0.435 55.689 56.100 0.041 0.000 0.896 237 R CB 1.857 32.158 30.300 0.002 0.000 1.201 237 R HN 0.201 nan 8.270 nan 0.000 0.457 238 A N 1.363 124.158 122.820 -0.043 0.000 2.515 238 A HA 0.710 5.044 4.320 0.023 0.000 0.296 238 A C -1.103 176.400 177.584 -0.135 0.000 1.094 238 A CA -0.728 51.202 52.037 -0.178 0.000 0.718 238 A CB 2.180 21.042 19.000 -0.231 0.000 1.307 238 A HN 0.332 nan 8.150 nan 0.000 0.408 239 V N 1.720 121.530 119.914 -0.174 0.000 2.409 239 V HA 0.401 4.535 4.120 0.023 0.000 0.291 239 V C -0.451 175.583 176.094 -0.099 0.000 1.020 239 V CA -0.312 61.924 62.300 -0.106 0.000 0.848 239 V CB 1.253 33.017 31.823 -0.098 0.000 0.990 239 V HN 0.774 nan 8.190 nan 0.000 0.430 240 L N 4.743 125.946 121.223 -0.033 0.000 2.265 240 L HA 0.567 4.921 4.340 0.023 0.000 0.288 240 L C 0.071 176.902 176.870 -0.064 0.000 1.058 240 L CA 0.084 54.883 54.840 -0.069 0.000 0.809 240 L CB 0.983 43.033 42.059 -0.015 0.000 1.179 240 L HN 0.748 nan 8.230 nan 0.000 0.429 241 E N 4.302 124.459 120.200 -0.072 0.000 2.145 241 E HA 0.616 4.980 4.350 0.023 0.000 0.270 241 E C -1.274 175.319 176.600 -0.011 0.000 0.906 241 E CA -0.721 55.655 56.400 -0.039 0.000 0.761 241 E CB 1.566 31.244 29.700 -0.037 0.000 1.116 241 E HN 0.705 nan 8.360 nan 0.000 0.408 242 A N 4.745 127.566 122.820 0.001 0.000 2.285 242 A HA 0.273 4.607 4.320 0.023 0.000 0.310 242 A C -0.507 177.093 177.584 0.025 0.000 1.266 242 A CA -0.637 51.423 52.037 0.039 0.000 0.832 242 A CB 0.860 19.883 19.000 0.038 0.000 1.163 242 A HN 0.735 nan 8.150 nan 0.000 0.499 243 E N 2.566 122.784 120.200 0.031 0.000 2.229 243 E HA 0.504 4.868 4.350 0.023 0.000 0.283 243 E C -1.220 175.354 176.600 -0.044 0.000 1.030 243 E CA -0.264 56.119 56.400 -0.029 0.000 0.836 243 E CB 0.975 30.637 29.700 -0.063 0.000 1.068 243 E HN 0.373 nan 8.360 nan 0.000 0.401 244 V N 4.775 124.684 119.914 -0.008 0.000 2.604 244 V HA 0.291 4.425 4.120 0.023 0.000 0.305 244 V C -0.472 175.700 176.094 0.131 0.000 1.043 244 V CA -0.775 61.566 62.300 0.068 0.000 0.888 244 V CB 1.821 33.676 31.823 0.052 0.000 0.995 244 V HN 0.753 nan 8.190 nan 0.000 0.429 245 Q N 4.066 123.937 119.800 0.119 0.000 2.348 245 Q HA 0.852 5.206 4.340 0.023 0.000 0.271 245 Q C -0.823 175.221 176.000 0.074 0.000 1.067 245 Q CA -0.827 55.032 55.803 0.095 0.000 0.839 245 Q CB 2.792 31.520 28.738 -0.016 0.000 1.354 245 Q HN 0.839 nan 8.270 nan 0.000 0.447 246 M N -1.194 118.341 119.600 -0.109 0.000 2.690 246 M HA 0.793 5.287 4.480 0.023 0.000 0.302 246 M C -1.366 174.809 176.300 -0.208 0.000 1.234 246 M CA -0.532 54.634 55.300 -0.224 0.000 0.853 246 M CB 1.866 34.122 32.600 -0.573 0.000 1.748 246 M HN 0.505 nan 8.290 nan 0.000 0.469 247 C N 0.904 120.104 119.300 -0.166 0.000 2.634 247 C HA 1.034 5.508 4.460 0.023 0.000 0.313 247 C C 0.555 175.460 174.990 -0.142 0.000 1.198 247 C CA 0.500 59.442 59.018 -0.127 0.000 1.605 247 C CB 0.924 28.621 27.740 -0.071 0.000 2.196 247 C HN 1.346 nan 8.230 nan 0.000 0.486 248 G N 1.688 110.416 108.800 -0.120 0.000 2.373 248 G HA2 0.048 4.022 3.960 0.023 0.000 0.634 248 G HA3 0.048 4.022 3.960 0.023 0.000 0.634 248 G C -1.151 173.676 174.900 -0.121 0.000 1.267 248 G CA -0.632 44.404 45.100 -0.106 0.000 1.008 248 G HN 0.910 nan 8.290 nan 0.000 0.497 249 E N -0.148 119.990 120.200 -0.102 0.000 2.259 249 E HA 0.438 4.802 4.350 0.023 0.000 0.281 249 E C 0.416 176.919 176.600 -0.161 0.000 1.037 249 E CA -0.471 55.864 56.400 -0.108 0.000 0.854 249 E CB 0.387 30.044 29.700 -0.073 0.000 1.051 249 E HN 0.446 nan 8.360 nan 0.000 0.409 250 L N 4.805 125.926 121.223 -0.171 0.000 2.417 250 L HA 0.313 4.667 4.340 0.023 0.000 0.268 250 L C 0.472 177.213 176.870 -0.217 0.000 1.158 250 L CA -0.046 54.669 54.840 -0.207 0.000 0.819 250 L CB 0.493 42.457 42.059 -0.159 0.000 1.112 250 L HN 0.482 nan 8.230 nan 0.000 0.458 251 R N 1.288 121.608 120.500 -0.299 0.000 2.668 251 R HA 0.183 4.537 4.340 0.023 0.000 0.272 251 R C -0.367 175.710 176.300 -0.372 0.000 1.019 251 R CA -0.787 55.050 56.100 -0.439 0.000 0.894 251 R CB 1.530 31.222 30.300 -1.014 0.000 1.228 251 R HN 0.532 nan 8.270 nan 0.000 0.460 252 D N 1.052 121.310 120.400 -0.236 0.000 2.263 252 D HA -0.145 4.509 4.640 0.023 0.000 0.208 252 D C 1.523 177.799 176.300 -0.041 0.000 0.971 252 D CA 1.554 55.499 54.000 -0.092 0.000 0.867 252 D CB 0.103 40.893 40.800 -0.017 0.000 0.929 252 D HN 0.572 nan 8.370 nan 0.000 0.492 253 Y N 0.105 120.417 120.300 0.020 0.000 2.583 253 Y HA 0.227 4.791 4.550 0.024 0.000 0.293 253 Y C 0.813 176.714 175.900 0.003 0.000 1.157 253 Y CA -0.461 57.646 58.100 0.012 0.000 1.315 253 Y CB -0.934 37.534 38.460 0.014 0.000 1.021 253 Y HN -0.187 nan 8.280 nan 0.000 0.536 254 L N 2.676 123.869 121.223 -0.050 0.000 2.439 254 L HA 0.295 4.649 4.340 0.023 0.000 0.269 254 L C 0.279 177.131 176.870 -0.031 0.000 1.179 254 L CA -0.017 54.847 54.840 0.040 0.000 0.828 254 L CB 0.461 42.566 42.059 0.076 0.000 1.106 254 L HN 0.169 nan 8.230 nan 0.000 0.467 255 R N 1.741 122.113 120.500 -0.213 0.000 2.774 255 R HA 0.671 5.025 4.340 0.023 0.000 0.272 255 R C -1.538 174.417 176.300 -0.575 0.000 1.000 255 R CA -0.794 55.029 56.100 -0.462 0.000 0.906 255 R CB 2.273 32.136 30.300 -0.730 0.000 1.227 255 R HN 0.272 nan 8.270 nan 0.000 0.468 256 V N 1.001 120.622 119.914 -0.488 0.000 2.604 256 V HA 0.501 4.635 4.120 0.023 0.000 0.305 256 V C -0.324 175.718 176.094 -0.085 0.000 1.043 256 V CA -0.534 61.584 62.300 -0.303 0.000 0.888 256 V CB 2.326 33.904 31.823 -0.408 0.000 0.995 256 V HN 0.728 nan 8.190 nan 0.000 0.429 257 T N 3.858 118.477 114.554 0.108 0.000 2.824 257 T HA 0.628 4.992 4.350 0.023 0.000 0.282 257 T C -0.718 174.002 174.700 0.032 0.000 0.993 257 T CA -0.376 61.790 62.100 0.110 0.000 0.967 257 T CB 1.689 70.653 68.868 0.161 0.000 0.960 257 T HN 0.341 nan 8.240 nan 0.000 0.441 258 V N 3.706 123.619 119.914 -0.002 0.000 2.487 258 V HA 0.695 4.829 4.120 0.023 0.000 0.298 258 V C -0.046 176.047 176.094 -0.001 0.000 1.028 258 V CA -0.744 61.552 62.300 -0.008 0.000 0.860 258 V CB 1.761 33.569 31.823 -0.025 0.000 0.991 258 V HN 1.042 nan 8.190 nan 0.000 0.427 259 S N 5.384 121.107 115.700 0.039 0.000 2.536 259 S HA 0.874 5.358 4.470 0.023 0.000 0.298 259 S C -1.158 173.448 174.600 0.011 0.000 1.083 259 S CA -0.756 57.434 58.200 -0.016 0.000 0.995 259 S CB 2.120 65.347 63.200 0.044 0.000 1.058 259 S HN 0.576 nan 8.310 nan 0.000 0.488 260 L N 2.317 123.438 121.223 -0.171 0.000 2.356 260 L HA 0.800 5.154 4.340 0.023 0.000 0.277 260 L C -2.001 174.773 176.870 -0.160 0.000 0.996 260 L CA -0.299 54.540 54.840 -0.002 0.000 0.822 260 L CB 1.064 43.150 42.059 0.046 0.000 1.256 260 L HN 0.903 nan 8.230 nan 0.000 0.413 261 W N 3.500 124.912 121.300 0.187 0.000 2.736 261 W HA 0.619 5.293 4.660 0.023 0.000 0.335 261 W C -0.690 175.922 176.519 0.154 0.000 1.059 261 W CA -0.504 56.921 57.345 0.133 0.000 1.226 261 W CB 1.633 31.122 29.460 0.047 0.000 1.416 261 W HN 0.375 nan 8.180 nan 0.000 0.505 262 Q N 2.388 122.337 119.800 0.249 0.000 2.456 262 Q HA 0.535 4.889 4.340 0.023 0.000 0.252 262 Q C 0.492 176.515 176.000 0.038 0.000 1.042 262 Q CA 0.329 56.098 55.803 -0.057 0.000 0.766 262 Q CB 0.710 29.311 28.738 -0.230 0.000 1.196 262 Q HN 0.755 nan 8.270 nan 0.000 0.504 263 G N 3.151 111.974 108.800 0.038 0.000 2.583 263 G HA2 -0.351 3.623 3.960 0.023 0.000 0.292 263 G HA3 -0.351 3.623 3.960 0.023 0.000 0.292 263 G C 0.591 175.567 174.900 0.127 0.000 1.203 263 G CA 0.313 45.438 45.100 0.043 0.000 0.987 263 G HN 0.598 nan 8.290 nan 0.000 0.554 264 E N 0.696 120.962 120.200 0.110 0.000 2.478 264 E HA 0.101 4.465 4.350 0.023 0.000 0.194 264 E C 0.688 177.493 176.600 0.342 0.000 1.045 264 E CA 0.629 57.122 56.400 0.155 0.000 0.868 264 E CB 0.004 29.740 29.700 0.060 0.000 0.885 264 E HN 0.384 nan 8.360 nan 0.000 0.505 265 T N 1.310 116.024 114.554 0.268 0.000 2.832 265 T HA 0.065 4.429 4.350 0.023 0.000 0.296 265 T C -0.060 174.699 174.700 0.098 0.000 0.968 265 T CA -0.070 62.138 62.100 0.180 0.000 1.107 265 T CB 1.307 70.217 68.868 0.070 0.000 0.916 265 T HN 0.046 nan 8.240 nan 0.000 0.517 266 Q N 3.316 122.966 119.800 -0.251 0.000 2.314 266 Q HA 0.250 4.604 4.340 0.023 0.000 0.257 266 Q C 0.486 176.223 176.000 -0.438 0.000 0.975 266 Q CA -0.418 54.840 55.803 -0.908 0.000 0.933 266 Q CB 0.692 28.752 28.738 -1.129 0.000 1.195 266 Q HN 0.541 nan 8.270 nan 0.000 0.426 267 V N 3.042 122.750 119.914 -0.344 0.000 2.535 267 V HA 0.175 4.309 4.120 0.023 0.000 0.246 267 V C 0.428 176.419 176.094 -0.172 0.000 1.045 267 V CA 1.421 63.632 62.300 -0.149 0.000 1.058 267 V CB 0.132 31.968 31.823 0.021 0.000 0.689 267 V HN 0.814 nan 8.190 nan 0.000 0.461 268 A N -1.318 121.364 122.820 -0.230 0.000 2.608 268 A HA 0.767 5.101 4.320 0.023 0.000 0.292 268 A C -0.785 176.680 177.584 -0.198 0.000 1.066 268 A CA 0.048 51.982 52.037 -0.173 0.000 0.676 268 A CB 1.929 20.866 19.000 -0.106 0.000 1.277 268 A HN 0.099 nan 8.150 nan 0.000 0.413 269 S N -0.741 114.876 115.700 -0.139 0.000 2.535 269 S HA 0.756 5.240 4.470 0.023 0.000 0.272 269 S C -0.584 173.975 174.600 -0.068 0.000 1.149 269 S CA 0.257 58.391 58.200 -0.110 0.000 0.888 269 S CB 1.497 64.622 63.200 -0.124 0.000 1.110 269 S HN 2.313 nan 8.310 nan 0.000 0.463 270 G N 1.856 110.628 108.800 -0.046 0.000 2.682 270 G HA2 0.666 4.640 3.960 0.023 0.000 0.300 270 G HA3 0.666 4.640 3.960 0.023 0.000 0.300 270 G C -1.295 173.592 174.900 -0.022 0.000 1.391 270 G CA -0.439 44.638 45.100 -0.037 0.000 0.990 270 G HN 0.714 nan 8.290 nan 0.000 0.501 271 T N -0.176 114.368 114.554 -0.017 0.000 2.900 271 T HA 0.857 5.221 4.350 0.023 0.000 0.295 271 T C -0.356 174.315 174.700 -0.049 0.000 1.044 271 T CA -0.067 62.031 62.100 -0.003 0.000 0.995 271 T CB 1.873 70.778 68.868 0.061 0.000 1.072 271 T HN 1.507 nan 8.240 nan 0.000 0.473 272 A N 3.152 125.907 122.820 -0.108 0.000 2.604 272 A HA 0.895 5.229 4.320 0.023 0.000 0.295 272 A C -3.095 174.350 177.584 -0.231 0.000 1.067 272 A CA -1.547 50.405 52.037 -0.141 0.000 0.683 272 A CB 1.351 20.268 19.000 -0.139 0.000 1.281 272 A HN 0.533 nan 8.150 nan 0.000 0.407 273 P HA 0.537 nan 4.420 nan 0.000 0.278 273 P C -0.602 176.553 177.300 -0.243 0.000 1.266 273 P CA -0.308 62.684 63.100 -0.180 0.000 0.807 273 P CB 0.413 32.076 31.700 -0.061 0.000 1.094 274 F N -0.211 119.701 119.950 -0.063 0.000 2.450 274 F HA 0.470 5.011 4.527 0.023 0.000 0.339 274 F C 1.461 177.245 175.800 -0.027 0.000 1.146 274 F CA 1.523 59.496 58.000 -0.046 0.000 1.267 274 F CB 0.276 39.243 39.000 -0.054 0.000 1.178 274 F HN 0.575 nan 8.300 nan 0.000 0.585 275 G N 1.583 110.499 108.800 0.193 0.000 2.648 275 G HA2 0.360 4.334 3.960 0.023 0.000 0.317 275 G HA3 0.360 4.334 3.960 0.023 0.000 0.317 275 G C -0.495 174.458 174.900 0.087 0.000 1.216 275 G CA -0.720 44.451 45.100 0.118 0.000 1.210 275 G HN 1.035 nan 8.290 nan 0.000 0.583 276 G N 0.647 109.519 108.800 0.120 0.000 2.588 276 G HA2 0.716 4.690 3.960 0.023 0.000 0.281 276 G HA3 0.716 4.690 3.960 0.023 0.000 0.281 276 G C 0.430 175.374 174.900 0.073 0.000 1.236 276 G CA 0.019 45.180 45.100 0.101 0.000 0.969 276 G HN 1.116 nan 8.290 nan 0.000 0.504 277 E N -1.036 119.201 120.200 0.061 0.000 2.392 277 E HA 0.266 4.630 4.350 0.023 0.000 0.256 277 E C -0.081 176.544 176.600 0.042 0.000 1.145 277 E CA -0.665 55.759 56.400 0.041 0.000 0.929 277 E CB 0.919 30.638 29.700 0.033 0.000 0.998 277 E HN 0.309 nan 8.360 nan 0.000 0.442 278 I N 1.737 122.320 120.570 0.021 0.000 2.752 278 I HA -0.138 4.046 4.170 0.023 0.000 0.289 278 I C 0.676 176.802 176.117 0.016 0.000 1.197 278 I CA 0.122 61.427 61.300 0.008 0.000 1.432 278 I CB 0.263 38.263 38.000 0.001 0.000 1.359 278 I HN 0.626 nan 8.210 nan 0.000 0.571 279 I N 3.890 124.463 120.570 0.006 0.000 3.300 279 I HA 0.088 4.272 4.170 0.023 0.000 0.279 279 I C 0.494 176.612 176.117 0.001 0.000 1.172 279 I CA 0.939 62.251 61.300 0.021 0.000 1.431 279 I CB -0.615 37.406 38.000 0.034 0.000 1.240 279 I HN 0.693 nan 8.210 nan 0.000 0.453 280 D N -1.449 118.937 120.400 -0.023 0.000 2.921 280 D HA 0.123 4.777 4.640 0.023 0.000 0.329 280 D C 0.394 176.678 176.300 -0.027 0.000 1.293 280 D CA -0.397 53.591 54.000 -0.020 0.000 0.964 280 D CB 0.492 41.279 40.800 -0.022 0.000 1.435 280 D HN -0.291 nan 8.370 nan 0.000 0.548 281 E N -1.043 119.143 120.200 -0.023 0.000 2.267 281 E HA -0.049 4.315 4.350 0.023 0.000 0.197 281 E C 1.303 177.884 176.600 -0.032 0.000 0.998 281 E CA 0.963 57.350 56.400 -0.023 0.000 0.830 281 E CB -0.026 29.663 29.700 -0.018 0.000 0.751 281 E HN 0.202 nan 8.360 nan 0.000 0.491 282 R N -0.539 119.933 120.500 -0.046 0.000 2.334 282 R HA 0.298 4.652 4.340 0.023 0.000 0.216 282 R C 0.841 177.099 176.300 -0.071 0.000 0.905 282 R CA 0.697 56.763 56.100 -0.057 0.000 1.064 282 R CB 0.646 30.906 30.300 -0.068 0.000 1.046 282 R HN 0.213 nan 8.270 nan 0.000 0.508 283 G N -0.646 108.114 108.800 -0.067 0.000 2.408 283 G HA2 -0.101 3.873 3.960 0.023 0.000 0.204 283 G HA3 -0.101 3.873 3.960 0.023 0.000 0.204 283 G C -0.248 174.599 174.900 -0.089 0.000 1.186 283 G CA -0.601 44.459 45.100 -0.066 0.000 1.139 283 G HN 0.472 nan 8.290 nan 0.000 0.563 284 G N -1.968 106.776 108.800 -0.094 0.000 3.105 284 G HA2 0.646 4.620 3.960 0.023 0.000 0.277 284 G HA3 0.646 4.620 3.960 0.023 0.000 0.277 284 G C -1.548 173.255 174.900 -0.162 0.000 1.375 284 G CA -0.717 44.329 45.100 -0.091 0.000 0.962 284 G HN 0.778 nan 8.290 nan 0.000 0.541 285 Y N 1.097 121.409 120.300 0.020 0.000 2.504 285 Y HA 0.410 4.973 4.550 0.022 0.000 0.351 285 Y C 1.487 177.408 175.900 0.035 0.000 0.988 285 Y CA 0.181 58.295 58.100 0.023 0.000 1.239 285 Y CB 1.574 40.053 38.460 0.032 0.000 1.128 285 Y HN 0.546 nan 8.280 nan 0.000 0.525 286 A N 1.803 124.690 122.820 0.112 0.000 2.119 286 A HA -0.142 4.192 4.320 0.023 0.000 0.217 286 A C 1.376 179.022 177.584 0.102 0.000 1.153 286 A CA 1.361 53.449 52.037 0.086 0.000 0.692 286 A CB -0.280 18.734 19.000 0.022 0.000 0.799 286 A HN 0.785 nan 8.150 nan 0.000 0.458 287 D N -0.829 119.627 120.400 0.093 0.000 2.358 287 D HA 0.145 4.799 4.640 0.023 0.000 0.224 287 D C 0.487 176.829 176.300 0.070 0.000 1.123 287 D CA -0.035 53.930 54.000 -0.060 0.000 0.833 287 D CB -0.016 40.736 40.800 -0.081 0.000 0.946 287 D HN 0.407 nan 8.370 nan 0.000 0.505 288 R N -0.963 119.728 120.500 0.319 0.000 2.817 288 R HA 0.761 5.115 4.340 0.023 0.000 0.268 288 R C -1.633 174.847 176.300 0.300 0.000 1.027 288 R CA -1.157 55.146 56.100 0.338 0.000 0.928 288 R CB 2.928 33.289 30.300 0.103 0.000 1.228 288 R HN -0.027 nan 8.270 nan 0.000 0.469 289 V N 0.138 120.118 119.914 0.110 0.000 3.098 289 V HA 0.451 4.585 4.120 0.023 0.000 0.294 289 V C -1.625 174.436 176.094 -0.055 0.000 1.351 289 V CA -0.328 61.950 62.300 -0.037 0.000 0.999 289 V CB 2.789 34.471 31.823 -0.236 0.000 1.104 289 V HN 0.825 nan 8.190 nan 0.000 0.438 290 T N 7.121 121.647 114.554 -0.045 0.000 2.792 290 T HA 0.623 4.987 4.350 0.023 0.000 0.280 290 T C -0.911 173.759 174.700 -0.050 0.000 0.990 290 T CA -0.423 61.655 62.100 -0.037 0.000 0.960 290 T CB 1.073 69.932 68.868 -0.015 0.000 0.939 290 T HN 0.445 nan 8.240 nan 0.000 0.439 291 L N 3.558 124.751 121.223 -0.050 0.000 2.325 291 L HA 0.586 4.940 4.340 0.023 0.000 0.278 291 L C 0.409 177.256 176.870 -0.037 0.000 1.023 291 L CA -0.478 54.332 54.840 -0.050 0.000 0.811 291 L CB 1.487 43.513 42.059 -0.054 0.000 1.249 291 L HN 0.553 nan 8.230 nan 0.000 0.431 292 R N 4.003 124.480 120.500 -0.038 0.000 2.476 292 R HA 0.703 5.057 4.340 0.023 0.000 0.305 292 R C -1.193 175.084 176.300 -0.039 0.000 0.965 292 R CA -0.694 55.384 56.100 -0.037 0.000 0.867 292 R CB 2.140 32.418 30.300 -0.036 0.000 1.176 292 R HN 0.467 nan 8.270 nan 0.000 0.447 293 L N 2.686 123.886 121.223 -0.037 0.000 2.341 293 L HA 0.456 4.810 4.340 0.023 0.000 0.278 293 L C -0.218 176.628 176.870 -0.040 0.000 1.005 293 L CA -1.108 53.709 54.840 -0.039 0.000 0.818 293 L CB 1.759 43.797 42.059 -0.034 0.000 1.259 293 L HN 0.449 nan 8.230 nan 0.000 0.418 294 N N 2.090 120.760 118.700 -0.050 0.000 2.499 294 N HA 0.403 5.157 4.740 0.023 0.000 0.281 294 N C -0.892 174.573 175.510 -0.076 0.000 1.098 294 N CA -0.235 52.780 53.050 -0.058 0.000 0.979 294 N CB 2.622 41.078 38.487 -0.052 0.000 1.121 294 N HN 0.197 nan 8.380 nan 0.000 0.466 295 V N 2.243 122.095 119.914 -0.103 0.000 2.443 295 V HA 0.171 4.305 4.120 0.023 0.000 0.293 295 V C -0.103 175.903 176.094 -0.146 0.000 1.021 295 V CA -0.845 61.354 62.300 -0.168 0.000 0.848 295 V CB 1.856 33.471 31.823 -0.348 0.000 0.998 295 V HN 0.470 nan 8.190 nan 0.000 0.424 296 E N 3.007 123.148 120.200 -0.099 0.000 2.283 296 E HA 0.276 4.640 4.350 0.023 0.000 0.278 296 E C 0.329 176.899 176.600 -0.051 0.000 1.027 296 E CA -0.249 56.117 56.400 -0.057 0.000 0.843 296 E CB 0.566 30.245 29.700 -0.034 0.000 1.062 296 E HN 0.746 nan 8.360 nan 0.000 0.401 297 N N 1.216 119.908 118.700 -0.013 0.000 2.714 297 N HA -0.150 4.604 4.740 0.023 0.000 0.252 297 N C -2.453 173.052 175.510 -0.009 0.000 1.014 297 N CA 0.008 53.065 53.050 0.012 0.000 0.735 297 N CB -0.976 37.520 38.487 0.015 0.000 0.924 297 N HN 0.318 nan 8.380 nan 0.000 0.540 298 P HA -0.031 nan 4.420 nan 0.000 0.267 298 P C -0.384 176.940 177.300 0.040 0.000 1.200 298 P CA 0.524 63.511 63.100 -0.189 0.000 0.772 298 P CB 0.668 32.071 31.700 -0.495 0.000 0.855 299 K N 2.636 123.155 120.400 0.198 0.000 2.312 299 K HA 0.293 4.627 4.320 0.023 0.000 0.287 299 K C 0.234 176.994 176.600 0.266 0.000 1.062 299 K CA -0.429 55.969 56.287 0.187 0.000 0.934 299 K CB 0.267 32.858 32.500 0.153 0.000 1.027 299 K HN 0.413 nan 8.250 nan 0.000 0.478 300 L N 2.335 123.642 121.223 0.139 0.000 2.418 300 L HA 0.327 4.681 4.340 0.023 0.000 0.265 300 L C -0.038 176.911 176.870 0.131 0.000 1.143 300 L CA -0.827 54.094 54.840 0.135 0.000 0.809 300 L CB 0.395 42.378 42.059 -0.127 0.000 1.124 300 L HN 0.617 nan 8.230 nan 0.000 0.456 301 W N 2.703 124.032 121.300 0.048 0.000 2.438 301 W HA 0.514 5.187 4.660 0.022 0.000 0.324 301 W C -0.087 176.393 176.519 -0.066 0.000 1.119 301 W CA 0.070 57.435 57.345 0.034 0.000 1.221 301 W CB 1.383 30.915 29.460 0.120 0.000 1.253 301 W HN 0.633 nan 8.180 nan 0.000 0.555 302 S N 2.860 118.013 115.700 -0.913 0.000 2.643 302 S HA 0.613 5.097 4.470 0.023 0.000 0.270 302 S C 0.099 173.918 174.600 -1.302 0.000 1.166 302 S CA -0.370 57.325 58.200 -0.842 0.000 0.815 302 S CB 1.046 64.090 63.200 -0.261 0.000 1.139 302 S HN 1.043 nan 8.310 nan 0.000 0.472 303 A N 0.531 122.750 122.820 -1.003 0.000 2.015 303 A HA 0.028 4.362 4.320 0.023 0.000 0.219 303 A C 1.762 179.027 177.584 -0.533 0.000 1.163 303 A CA 1.555 53.029 52.037 -0.939 0.000 0.646 303 A CB -0.986 17.315 19.000 -1.165 0.000 0.806 303 A HN 0.870 nan 8.150 nan 0.000 0.448 304 E N -0.842 119.182 120.200 -0.294 0.000 2.072 304 E HA 0.035 4.399 4.350 0.023 0.000 0.190 304 E C -0.232 176.223 176.600 -0.241 0.000 0.982 304 E CA 0.723 56.999 56.400 -0.207 0.000 0.803 304 E CB -0.000 29.702 29.700 0.004 0.000 0.755 304 E HN 0.606 nan 8.360 nan 0.000 0.453 305 I N 1.630 122.042 120.570 -0.263 0.000 2.560 305 I HA 0.152 4.336 4.170 0.023 0.000 0.278 305 I C -2.545 173.361 176.117 -0.351 0.000 1.089 305 I CA -1.905 59.262 61.300 -0.222 0.000 1.086 305 I CB 2.445 40.368 38.000 -0.129 0.000 1.202 305 I HN -0.221 nan 8.210 nan 0.000 0.471 306 P HA 0.115 nan 4.420 nan 0.000 0.220 306 P C -0.658 176.618 177.300 -0.040 0.000 1.806 306 P CA -0.319 62.492 63.100 -0.481 0.000 0.976 306 P CB -0.207 31.362 31.700 -0.219 0.000 1.952 307 N N 1.925 120.632 118.700 0.012 0.000 2.454 307 N HA 0.133 4.888 4.740 0.023 0.000 0.260 307 N C 0.081 175.804 175.510 0.355 0.000 1.218 307 N CA 0.499 53.634 53.050 0.143 0.000 0.904 307 N CB 0.749 39.325 38.487 0.148 0.000 1.065 307 N HN 0.307 nan 8.380 nan 0.000 0.462 308 L N 2.261 123.623 121.223 0.233 0.000 2.371 308 L HA 0.480 4.834 4.340 0.023 0.000 0.262 308 L C -0.852 176.097 176.870 0.131 0.000 1.006 308 L CA -0.873 54.154 54.840 0.311 0.000 0.818 308 L CB 1.346 43.550 42.059 0.243 0.000 1.354 308 L HN 0.378 nan 8.230 nan 0.000 0.415 309 Y N 0.218 120.665 120.300 0.246 0.000 2.650 309 Y HA 0.673 5.238 4.550 0.024 0.000 0.331 309 Y C -0.187 175.831 175.900 0.197 0.000 1.082 309 Y CA -0.825 57.421 58.100 0.244 0.000 1.171 309 Y CB 1.737 40.402 38.460 0.341 0.000 1.326 309 Y HN 0.389 nan 8.280 nan 0.000 0.513 310 R N 0.909 121.641 120.500 0.386 0.000 2.534 310 R HA 0.815 5.169 4.340 0.023 0.000 0.301 310 R C -1.681 174.811 176.300 0.319 0.000 0.961 310 R CA -0.547 55.717 56.100 0.274 0.000 0.871 310 R CB 1.255 31.657 30.300 0.170 0.000 1.170 310 R HN 0.748 nan 8.270 nan 0.000 0.446 311 A N 3.805 126.755 122.820 0.217 0.000 2.288 311 A HA 0.618 4.952 4.320 0.023 0.000 0.320 311 A C -1.058 176.590 177.584 0.107 0.000 1.217 311 A CA -0.627 51.513 52.037 0.171 0.000 0.840 311 A CB 1.219 20.288 19.000 0.116 0.000 1.179 311 A HN 0.478 nan 8.150 nan 0.000 0.504 312 V N 3.437 123.420 119.914 0.115 0.000 2.448 312 V HA 0.405 4.539 4.120 0.023 0.000 0.295 312 V C -0.416 175.659 176.094 -0.031 0.000 1.025 312 V CA -0.490 61.821 62.300 0.019 0.000 0.859 312 V CB 1.685 33.541 31.823 0.055 0.000 0.988 312 V HN 0.622 nan 8.190 nan 0.000 0.431 313 V N 4.899 124.728 119.914 -0.143 0.000 2.334 313 V HA 0.439 4.573 4.120 0.023 0.000 0.281 313 V C -0.105 175.936 176.094 -0.088 0.000 1.016 313 V CA -0.556 61.643 62.300 -0.168 0.000 0.832 313 V CB 1.396 32.970 31.823 -0.415 0.000 0.999 313 V HN 0.923 nan 8.190 nan 0.000 0.439 314 E N 3.802 124.003 120.200 0.002 0.000 2.171 314 E HA 0.543 4.907 4.350 0.023 0.000 0.271 314 E C -1.059 175.630 176.600 0.148 0.000 0.916 314 E CA -0.886 55.560 56.400 0.077 0.000 0.774 314 E CB 2.675 32.447 29.700 0.120 0.000 1.128 314 E HN 0.489 nan 8.360 nan 0.000 0.403 315 L N 4.265 125.556 121.223 0.114 0.000 2.272 315 L HA 0.428 4.782 4.340 0.023 0.000 0.289 315 L C -0.991 175.977 176.870 0.163 0.000 1.032 315 L CA 0.136 55.034 54.840 0.097 0.000 0.810 315 L CB 0.210 42.315 42.059 0.077 0.000 1.205 315 L HN 0.691 nan 8.230 nan 0.000 0.422 316 H N 0.235 119.344 119.070 0.066 0.000 2.928 316 H HA 0.805 5.375 4.556 0.023 0.000 0.285 316 H C -0.755 174.642 175.328 0.115 0.000 1.438 316 H CA -0.500 55.590 56.048 0.070 0.000 1.176 316 H CB 0.743 30.528 29.762 0.037 0.000 1.864 316 H HN 0.527 nan 8.280 nan 0.000 0.567 317 T N -2.346 112.348 114.554 0.233 0.000 2.927 317 T HA 0.558 4.922 4.350 0.023 0.000 0.281 317 T C 1.403 176.237 174.700 0.224 0.000 0.998 317 T CA -0.411 61.815 62.100 0.210 0.000 1.019 317 T CB 1.531 70.471 68.868 0.121 0.000 1.061 317 T HN 0.927 nan 8.240 nan 0.000 0.518 318 A N 1.180 124.104 122.820 0.174 0.000 1.978 318 A HA -0.112 4.222 4.320 0.023 0.000 0.220 318 A C 1.884 179.539 177.584 0.118 0.000 1.170 318 A CA 1.898 54.021 52.037 0.143 0.000 0.636 318 A CB -1.113 17.957 19.000 0.118 0.000 0.810 318 A HN 0.989 nan 8.150 nan 0.000 0.448 319 D N -2.060 118.384 120.400 0.074 0.000 2.363 319 D HA 0.227 4.881 4.640 0.023 0.000 0.226 319 D C 1.168 177.494 176.300 0.043 0.000 1.020 319 D CA 1.129 55.150 54.000 0.035 0.000 0.892 319 D CB -0.575 40.219 40.800 -0.010 0.000 0.900 319 D HN 0.875 nan 8.370 nan 0.000 0.531 320 G N -0.873 107.983 108.800 0.093 0.000 2.179 320 G HA2 -0.220 3.754 3.960 0.023 0.000 0.220 320 G HA3 -0.220 3.754 3.960 0.023 0.000 0.220 320 G C 0.233 175.151 174.900 0.031 0.000 0.990 320 G CA 0.117 45.240 45.100 0.039 0.000 0.646 320 G HN 0.427 nan 8.290 nan 0.000 0.517 321 T N 1.857 116.452 114.554 0.068 0.000 2.779 321 T HA 0.489 4.853 4.350 0.023 0.000 0.296 321 T C 0.347 175.105 174.700 0.097 0.000 0.938 321 T CA -0.158 61.973 62.100 0.052 0.000 1.119 321 T CB 1.891 70.776 68.868 0.028 0.000 0.891 321 T HN 0.531 nan 8.240 nan 0.000 0.526 322 L N 4.686 125.947 121.223 0.063 0.000 2.410 322 L HA 0.323 4.677 4.340 0.023 0.000 0.273 322 L C 0.762 177.683 176.870 0.085 0.000 1.152 322 L CA 0.376 55.268 54.840 0.087 0.000 0.855 322 L CB 0.078 42.160 42.059 0.038 0.000 1.129 322 L HN 0.703 nan 8.230 nan 0.000 0.463 323 I N 2.522 123.154 120.570 0.103 0.000 2.685 323 I HA 0.122 4.306 4.170 0.023 0.000 0.251 323 I C 0.277 176.419 176.117 0.041 0.000 1.102 323 I CA 0.422 61.763 61.300 0.068 0.000 1.442 323 I CB 0.217 38.262 38.000 0.075 0.000 1.194 323 I HN 0.814 nan 8.210 nan 0.000 0.448 324 E N 0.032 120.258 120.200 0.042 0.000 2.429 324 E HA 0.730 5.094 4.350 0.023 0.000 0.280 324 E C -1.426 175.196 176.600 0.036 0.000 1.068 324 E CA -1.117 55.298 56.400 0.025 0.000 0.837 324 E CB 1.789 31.470 29.700 -0.031 0.000 1.357 324 E HN -0.022 nan 8.360 nan 0.000 0.455 325 A N 0.962 123.823 122.820 0.069 0.000 2.449 325 A HA 0.693 5.027 4.320 0.023 0.000 0.302 325 A C -1.078 176.599 177.584 0.154 0.000 1.048 325 A CA -0.739 51.344 52.037 0.077 0.000 0.708 325 A CB 1.670 20.716 19.000 0.076 0.000 1.274 325 A HN 0.495 nan 8.150 nan 0.000 0.410 326 E N -0.279 119.938 120.200 0.028 0.000 2.378 326 E HA 0.849 5.213 4.350 0.023 0.000 0.265 326 E C -0.517 176.096 176.600 0.021 0.000 0.932 326 E CA -0.518 55.936 56.400 0.090 0.000 0.795 326 E CB 2.430 32.044 29.700 -0.142 0.000 1.296 326 E HN 1.214 nan 8.360 nan 0.000 0.438 327 A N -0.078 122.875 122.820 0.223 0.000 2.586 327 A HA 0.722 5.056 4.320 0.023 0.000 0.290 327 A C -1.155 176.624 177.584 0.326 0.000 1.086 327 A CA -0.407 51.706 52.037 0.127 0.000 0.665 327 A CB 0.746 19.758 19.000 0.020 0.000 1.279 327 A HN 0.857 nan 8.150 nan 0.000 0.423 328 C N -0.627 118.822 119.300 0.248 0.000 3.311 328 C HA 0.817 5.292 4.460 0.023 0.000 0.325 328 C C -1.304 173.788 174.990 0.170 0.000 1.352 328 C CA -0.919 58.251 59.018 0.252 0.000 1.308 328 C CB 1.091 29.001 27.740 0.283 0.000 1.619 328 C HN 0.818 nan 8.230 nan 0.000 0.469 329 D N 0.937 121.423 120.400 0.143 0.000 2.302 329 D HA 0.554 5.208 4.640 0.023 0.000 0.248 329 D C -0.368 175.990 176.300 0.097 0.000 1.094 329 D CA 0.182 54.265 54.000 0.137 0.000 0.897 329 D CB 1.851 42.736 40.800 0.142 0.000 1.200 329 D HN 0.547 nan 8.370 nan 0.000 0.429 330 V N 1.030 121.026 119.914 0.136 0.000 2.540 330 V HA 0.659 4.793 4.120 0.023 0.000 0.302 330 V C 0.567 176.726 176.094 0.108 0.000 1.035 330 V CA -0.843 61.481 62.300 0.040 0.000 0.873 330 V CB 2.034 33.851 31.823 -0.010 0.000 0.992 330 V HN 0.604 nan 8.190 nan 0.000 0.428 331 G N 3.039 111.807 108.800 -0.053 0.000 2.502 331 G HA2 0.608 4.582 3.960 0.023 0.000 0.311 331 G HA3 0.608 4.582 3.960 0.023 0.000 0.311 331 G C -1.029 173.954 174.900 0.139 0.000 1.270 331 G CA -0.376 44.778 45.100 0.091 0.000 0.948 331 G HN 0.423 nan 8.290 nan 0.000 0.487 332 F N 4.001 124.145 119.950 0.322 0.000 2.438 332 F HA 0.459 4.999 4.527 0.023 0.000 0.360 332 F C 1.124 177.182 175.800 0.431 0.000 1.118 332 F CA -0.101 58.135 58.000 0.394 0.000 1.164 332 F CB 0.739 39.978 39.000 0.399 0.000 1.131 332 F HN 0.452 nan 8.300 nan 0.000 0.527 333 R N 3.177 123.987 120.500 0.517 0.000 2.634 333 R HA 0.387 4.741 4.340 0.023 0.000 0.263 333 R C -1.891 174.578 176.300 0.282 0.000 1.060 333 R CA -0.782 55.465 56.100 0.245 0.000 0.898 333 R CB 1.612 32.084 30.300 0.287 0.000 1.253 333 R HN 0.605 nan 8.270 nan 0.000 0.461 334 E N 2.348 122.604 120.200 0.094 0.000 2.187 334 E HA 0.479 4.843 4.350 0.023 0.000 0.268 334 E C -1.246 175.422 176.600 0.113 0.000 0.896 334 E CA -0.919 55.614 56.400 0.221 0.000 0.766 334 E CB 2.146 32.049 29.700 0.338 0.000 1.142 334 E HN 0.407 nan 8.360 nan 0.000 0.408 335 V N 5.485 125.464 119.914 0.108 0.000 2.409 335 V HA 0.577 4.711 4.120 0.023 0.000 0.291 335 V C -0.218 175.916 176.094 0.067 0.000 1.020 335 V CA -0.685 61.649 62.300 0.058 0.000 0.848 335 V CB 1.224 33.062 31.823 0.025 0.000 0.990 335 V HN 0.739 nan 8.190 nan 0.000 0.430 336 R N 4.041 124.576 120.500 0.059 0.000 2.710 336 R HA 0.747 5.101 4.340 0.023 0.000 0.270 336 R C -1.889 174.438 176.300 0.045 0.000 1.021 336 R CA -0.974 55.163 56.100 0.062 0.000 0.889 336 R CB 2.065 32.416 30.300 0.084 0.000 1.243 336 R HN 0.491 nan 8.270 nan 0.000 0.464 337 I N 1.055 121.652 120.570 0.045 0.000 2.336 337 I HA 0.331 4.515 4.170 0.023 0.000 0.292 337 I C -0.538 175.602 176.117 0.039 0.000 0.991 337 I CA -0.376 60.945 61.300 0.035 0.000 1.227 337 I CB 1.780 39.802 38.000 0.037 0.000 1.366 337 I HN 0.687 nan 8.210 nan 0.000 0.466 338 E N 5.670 125.889 120.200 0.032 0.000 2.278 338 E HA 0.249 4.613 4.350 0.023 0.000 0.272 338 E C -0.240 176.374 176.600 0.024 0.000 0.890 338 E CA -0.545 55.874 56.400 0.033 0.000 0.770 338 E CB 1.012 30.738 29.700 0.043 0.000 1.212 338 E HN 0.532 nan 8.360 nan 0.000 0.415 339 N N 3.277 121.990 118.700 0.023 0.000 2.725 339 N HA -0.239 4.515 4.740 0.023 0.000 0.249 339 N C 0.454 175.971 175.510 0.012 0.000 1.103 339 N CA 2.118 55.178 53.050 0.017 0.000 0.707 339 N CB -1.164 37.332 38.487 0.014 0.000 1.043 339 N HN 0.972 nan 8.380 nan 0.000 0.553 340 G N -2.341 106.467 108.800 0.013 0.000 2.176 340 G HA2 -0.277 3.697 3.960 0.023 0.000 0.253 340 G HA3 -0.277 3.697 3.960 0.023 0.000 0.253 340 G C -0.100 174.797 174.900 -0.005 0.000 0.979 340 G CA 0.461 45.565 45.100 0.006 0.000 0.641 340 G HN 0.464 nan 8.290 nan 0.000 0.530 341 L N 0.208 121.428 121.223 -0.005 0.000 2.346 341 L HA 0.693 5.047 4.340 0.023 0.000 0.276 341 L C 0.162 177.022 176.870 -0.016 0.000 1.006 341 L CA -1.323 53.506 54.840 -0.018 0.000 0.817 341 L CB 1.855 43.903 42.059 -0.019 0.000 1.272 341 L HN 0.089 nan 8.230 nan 0.000 0.421 342 L N 4.676 125.879 121.223 -0.035 0.000 2.325 342 L HA 0.396 4.750 4.340 0.023 0.000 0.284 342 L C -0.766 176.078 176.870 -0.042 0.000 1.089 342 L CA 0.502 55.320 54.840 -0.036 0.000 0.836 342 L CB 0.080 42.104 42.059 -0.058 0.000 1.184 342 L HN 0.386 nan 8.230 nan 0.000 0.444 343 L N 5.810 127.024 121.223 -0.016 0.000 2.334 343 L HA 0.568 4.922 4.340 0.023 0.000 0.273 343 L C -0.806 176.060 176.870 -0.006 0.000 1.013 343 L CA -0.870 53.966 54.840 -0.007 0.000 0.816 343 L CB 1.956 44.033 42.059 0.030 0.000 1.278 343 L HN 0.532 nan 8.230 nan 0.000 0.431 344 L N 3.310 124.536 121.223 0.005 0.000 2.349 344 L HA 0.493 4.847 4.340 0.023 0.000 0.278 344 L C -0.206 176.653 176.870 -0.019 0.000 0.996 344 L CA -0.063 54.785 54.840 0.014 0.000 0.825 344 L CB 1.035 43.118 42.059 0.039 0.000 1.243 344 L HN 0.609 nan 8.230 nan 0.000 0.412 345 N N 4.000 122.537 118.700 -0.271 0.000 2.708 345 N HA -0.219 4.535 4.740 0.023 0.000 0.249 345 N C 0.909 175.981 175.510 -0.731 0.000 1.097 345 N CA 1.380 53.892 53.050 -0.898 0.000 0.710 345 N CB -1.318 36.617 38.487 -0.922 0.000 1.032 345 N HN 1.190 nan 8.380 nan 0.000 0.551 346 G N -1.947 106.746 108.800 -0.179 0.000 2.162 346 G HA2 -0.354 3.620 3.960 0.023 0.000 0.260 346 G HA3 -0.354 3.620 3.960 0.023 0.000 0.260 346 G C -0.115 174.810 174.900 0.042 0.000 0.976 346 G CA 0.905 46.044 45.100 0.064 0.000 0.655 346 G HN 0.421 nan 8.290 nan 0.000 0.533 347 K N 0.663 121.082 120.400 0.030 0.000 2.259 347 K HA 0.529 4.863 4.320 0.023 0.000 0.252 347 K C -2.796 173.777 176.600 -0.045 0.000 0.936 347 K CA -2.272 54.003 56.287 -0.020 0.000 0.810 347 K CB 2.597 35.029 32.500 -0.113 0.000 1.143 347 K HN 0.064 nan 8.250 nan 0.000 0.427 348 P HA 0.193 nan 4.420 nan 0.000 0.276 348 P C -0.087 177.146 177.300 -0.111 0.000 1.243 348 P CA -0.250 62.804 63.100 -0.078 0.000 0.768 348 P CB 0.548 32.206 31.700 -0.070 0.000 0.856 349 L N 3.357 124.508 121.223 -0.120 0.000 2.464 349 L HA 0.264 4.618 4.340 0.023 0.000 0.264 349 L C 0.728 177.512 176.870 -0.144 0.000 1.199 349 L CA -0.507 54.246 54.840 -0.145 0.000 0.818 349 L CB 0.225 42.155 42.059 -0.214 0.000 1.102 349 L HN 0.283 nan 8.230 nan 0.000 0.473 350 L N 3.498 124.652 121.223 -0.115 0.000 2.442 350 L HA 0.414 4.768 4.340 0.023 0.000 0.261 350 L C -0.585 176.234 176.870 -0.084 0.000 1.000 350 L CA -0.174 54.585 54.840 -0.135 0.000 0.882 350 L CB 0.829 42.834 42.059 -0.091 0.000 1.207 350 L HN 0.245 nan 8.230 nan 0.000 0.443 351 I N 4.713 125.171 120.570 -0.187 0.000 2.421 351 I HA 0.190 4.374 4.170 0.023 0.000 0.291 351 I C 0.557 176.636 176.117 -0.064 0.000 1.089 351 I CA 0.229 61.433 61.300 -0.160 0.000 1.354 351 I CB 0.400 38.181 38.000 -0.366 0.000 1.413 351 I HN 0.571 nan 8.210 nan 0.000 0.513 352 R N 4.869 125.415 120.500 0.078 0.000 3.070 352 R HA 0.447 4.801 4.340 0.023 0.000 0.252 352 R C 0.508 176.919 176.300 0.186 0.000 1.370 352 R CA -0.277 55.912 56.100 0.149 0.000 1.482 352 R CB 0.837 31.042 30.300 -0.158 0.000 1.220 352 R HN 0.768 nan 8.270 nan 0.000 0.622 353 G N 0.157 109.027 108.800 0.118 0.000 2.552 353 G HA2 0.598 4.572 3.960 0.023 0.000 0.324 353 G HA3 0.598 4.572 3.960 0.023 0.000 0.324 353 G C -1.302 173.859 174.900 0.435 0.000 1.217 353 G CA -0.473 44.667 45.100 0.066 0.000 0.989 353 G HN 0.229 nan 8.290 nan 0.000 0.490 354 V N -0.115 120.032 119.914 0.388 0.000 3.012 354 V HA 0.488 4.622 4.120 0.023 0.000 0.307 354 V C -1.144 175.077 176.094 0.210 0.000 1.166 354 V CA -1.210 61.221 62.300 0.218 0.000 0.974 354 V CB 2.214 33.866 31.823 -0.284 0.000 1.040 354 V HN 0.770 nan 8.190 nan 0.000 0.428 355 N N 4.059 122.806 118.700 0.079 0.000 2.518 355 N HA 0.470 5.224 4.740 0.023 0.000 0.283 355 N C -0.795 174.504 175.510 -0.352 0.000 1.119 355 N CA -0.361 52.608 53.050 -0.135 0.000 0.983 355 N CB 1.533 39.915 38.487 -0.175 0.000 1.139 355 N HN 0.651 nan 8.380 nan 0.000 0.465 356 R N 2.032 122.286 120.500 -0.410 0.000 2.510 356 R HA 0.206 4.560 4.340 0.023 0.000 0.294 356 R C -1.036 174.981 176.300 -0.471 0.000 1.056 356 R CA -0.562 55.305 56.100 -0.388 0.000 0.918 356 R CB 0.772 30.833 30.300 -0.398 0.000 1.187 356 R HN 0.588 nan 8.270 nan 0.000 0.437 357 H N 2.181 121.090 119.070 -0.268 0.000 2.547 357 H HA 0.108 4.678 4.556 0.024 0.000 0.362 357 H C -0.439 174.880 175.328 -0.016 0.000 1.181 357 H CA 0.138 56.128 56.048 -0.097 0.000 1.376 357 H CB 1.409 31.178 29.762 0.012 0.000 1.488 357 H HN 0.571 nan 8.280 nan 0.000 0.583 358 E N 1.985 122.371 120.200 0.309 0.000 1.861 358 E HA 0.062 4.426 4.350 0.023 0.000 0.263 358 E C -0.659 176.088 176.600 0.245 0.000 1.137 358 E CA -0.023 56.486 56.400 0.182 0.000 0.944 358 E CB 0.011 29.841 29.700 0.217 0.000 1.092 358 E HN 0.358 nan 8.360 nan 0.000 0.420 359 H N 1.615 120.746 119.070 0.101 0.000 2.667 359 H HA 0.249 4.819 4.556 0.023 0.000 0.353 359 H C -1.477 173.897 175.328 0.077 0.000 1.072 359 H CA -0.683 55.414 56.048 0.082 0.000 1.214 359 H CB 0.910 30.707 29.762 0.058 0.000 1.600 359 H HN 0.347 nan 8.280 nan 0.000 0.527 360 H N 6.340 125.018 119.070 -0.653 0.000 2.589 360 H HA 0.223 4.793 4.556 0.023 0.000 0.351 360 H C -2.288 172.681 175.328 -0.598 0.000 1.074 360 H CA -2.506 53.300 56.048 -0.404 0.000 1.203 360 H CB 2.626 32.299 29.762 -0.147 0.000 1.558 360 H HN 0.555 nan 8.280 nan 0.000 0.522 361 P HA -0.052 nan 4.420 nan 0.000 0.226 361 P C 1.140 178.344 177.300 -0.159 0.000 1.153 361 P CA 0.628 63.567 63.100 -0.269 0.000 0.777 361 P CB 0.906 32.489 31.700 -0.195 0.000 0.794 362 L N -1.964 119.304 121.223 0.075 0.000 2.362 362 L HA 0.148 4.502 4.340 0.023 0.000 0.204 362 L C 2.133 178.762 176.870 -0.401 0.000 1.060 362 L CA 0.700 55.418 54.840 -0.204 0.000 0.827 362 L CB -0.495 41.337 42.059 -0.378 0.000 1.027 362 L HN -0.061 nan 8.230 nan 0.000 0.474 363 H N -0.784 118.239 119.070 -0.078 0.000 2.539 363 H HA 0.260 4.830 4.556 0.023 0.000 0.269 363 H C 1.356 176.573 175.328 -0.186 0.000 0.980 363 H CA 0.276 56.191 56.048 -0.223 0.000 1.152 363 H CB 0.331 29.846 29.762 -0.411 0.000 1.407 363 H HN 0.394 nan 8.280 nan 0.000 0.564 364 G N 1.280 109.995 108.800 -0.141 0.000 2.559 364 G HA2 -0.382 3.592 3.960 0.023 0.000 0.282 364 G HA3 -0.382 3.592 3.960 0.023 0.000 0.282 364 G C 0.641 175.450 174.900 -0.152 0.000 1.177 364 G CA 0.325 45.289 45.100 -0.226 0.000 0.960 364 G HN 0.459 nan 8.290 nan 0.000 0.540 365 Q N -0.088 119.653 119.800 -0.099 0.000 2.188 365 Q HA 0.489 4.843 4.340 0.023 0.000 0.212 365 Q C 0.122 176.215 176.000 0.155 0.000 0.846 365 Q CA -0.162 55.632 55.803 -0.015 0.000 0.989 365 Q CB 1.534 30.159 28.738 -0.188 0.000 1.114 365 Q HN 0.352 nan 8.270 nan 0.000 0.488 366 V N 2.128 122.107 119.914 0.109 0.000 2.461 366 V HA 0.196 4.330 4.120 0.023 0.000 0.275 366 V C 0.154 176.292 176.094 0.074 0.000 1.047 366 V CA 0.162 62.527 62.300 0.109 0.000 0.955 366 V CB 0.942 32.760 31.823 -0.008 0.000 0.988 366 V HN 0.338 nan 8.190 nan 0.000 0.471 367 M N 5.359 125.010 119.600 0.085 0.000 2.472 367 M HA 0.533 5.027 4.480 0.023 0.000 0.331 367 M C -0.482 175.786 176.300 -0.054 0.000 1.170 367 M CA -0.465 54.850 55.300 0.024 0.000 1.009 367 M CB 1.909 34.495 32.600 -0.024 0.000 1.672 367 M HN 0.817 nan 8.290 nan 0.000 0.453 368 D N 0.091 120.462 120.400 -0.048 0.000 2.581 368 D HA 0.208 4.862 4.640 0.023 0.000 0.232 368 D C 0.082 176.364 176.300 -0.030 0.000 1.143 368 D CA -0.455 53.514 54.000 -0.053 0.000 0.881 368 D CB 1.818 42.606 40.800 -0.020 0.000 1.500 368 D HN 0.716 nan 8.370 nan 0.000 0.458 369 E N -0.094 120.097 120.200 -0.016 0.000 2.077 369 E HA -0.283 4.081 4.350 0.023 0.000 0.193 369 E C 1.514 178.154 176.600 0.066 0.000 0.989 369 E CA 1.461 57.879 56.400 0.029 0.000 0.800 369 E CB 0.188 29.918 29.700 0.050 0.000 0.746 369 E HN 0.309 nan 8.360 nan 0.000 0.452 370 Q N -0.014 119.827 119.800 0.069 0.000 2.135 370 Q HA -0.117 4.237 4.340 0.023 0.000 0.204 370 Q C 2.055 178.114 176.000 0.099 0.000 0.981 370 Q CA 2.190 58.044 55.803 0.084 0.000 0.856 370 Q CB -0.471 28.317 28.738 0.084 0.000 0.902 370 Q HN 0.282 nan 8.270 nan 0.000 0.425 371 T N -0.009 114.613 114.554 0.114 0.000 2.777 371 T HA -0.112 4.252 4.350 0.023 0.000 0.266 371 T C 1.757 176.536 174.700 0.131 0.000 1.040 371 T CA 1.399 63.581 62.100 0.137 0.000 1.141 371 T CB -0.167 68.813 68.868 0.187 0.000 0.868 371 T HN 0.260 nan 8.240 nan 0.000 0.444 372 M N 0.599 120.278 119.600 0.133 0.000 2.080 372 M HA -0.117 4.377 4.480 0.023 0.000 0.260 372 M C 2.478 178.883 176.300 0.174 0.000 1.068 372 M CA 1.412 56.856 55.300 0.242 0.000 1.109 372 M CB -0.695 32.069 32.600 0.274 0.000 1.342 372 M HN 0.098 nan 8.290 nan 0.000 0.405 373 V N 0.255 120.213 119.914 0.074 0.000 2.287 373 V HA -0.324 3.810 4.120 0.023 0.000 0.248 373 V C 2.345 178.413 176.094 -0.043 0.000 1.053 373 V CA 2.200 64.474 62.300 -0.044 0.000 1.027 373 V CB -0.920 30.921 31.823 0.030 0.000 0.646 373 V HN 0.571 nan 8.190 nan 0.000 0.447 374 Q N -0.407 119.423 119.800 0.049 0.000 2.096 374 Q HA -0.283 4.071 4.340 0.023 0.000 0.204 374 Q C 1.988 178.055 176.000 0.112 0.000 0.982 374 Q CA 2.233 58.085 55.803 0.081 0.000 0.850 374 Q CB -0.143 28.660 28.738 0.109 0.000 0.901 374 Q HN 0.634 nan 8.270 nan 0.000 0.422 375 D N 0.257 120.738 120.400 0.134 0.000 2.097 375 D HA -0.129 4.526 4.640 0.023 0.000 0.195 375 D C 1.926 178.176 176.300 -0.083 0.000 0.989 375 D CA 1.084 55.164 54.000 0.133 0.000 0.827 375 D CB -0.220 40.639 40.800 0.099 0.000 0.966 375 D HN 0.336 nan 8.370 nan 0.000 0.456 376 I N 0.618 121.126 120.570 -0.102 0.000 2.208 376 I HA -0.251 3.933 4.170 0.023 0.000 0.245 376 I C 2.386 178.369 176.117 -0.223 0.000 1.097 376 I CA 0.712 61.854 61.300 -0.263 0.000 1.363 376 I CB -0.119 37.592 38.000 -0.482 0.000 1.051 376 I HN 0.013 nan 8.210 nan 0.000 0.413 377 L N -0.060 121.067 121.223 -0.161 0.000 2.027 377 L HA -0.220 4.134 4.340 0.023 0.000 0.206 377 L C 2.549 179.490 176.870 0.119 0.000 1.074 377 L CA 1.333 56.169 54.840 -0.005 0.000 0.745 377 L CB -0.540 41.536 42.059 0.028 0.000 0.898 377 L HN 0.273 nan 8.230 nan 0.000 0.433 378 L N -0.953 120.362 121.223 0.153 0.000 2.083 378 L HA -0.252 4.102 4.340 0.023 0.000 0.209 378 L C 2.693 179.737 176.870 0.290 0.000 1.083 378 L CA 1.313 56.328 54.840 0.291 0.000 0.752 378 L CB -0.271 42.074 42.059 0.476 0.000 0.899 378 L HN 0.295 nan 8.230 nan 0.000 0.433 379 M N -0.613 118.985 119.600 -0.005 0.000 2.065 379 M HA -0.276 4.218 4.480 0.023 0.000 0.259 379 M C 2.327 178.728 176.300 0.168 0.000 1.071 379 M CA 1.948 57.161 55.300 -0.144 0.000 1.109 379 M CB -0.337 31.943 32.600 -0.534 0.000 1.313 379 M HN 0.070 nan 8.290 nan 0.000 0.408 380 K N -0.127 120.288 120.400 0.026 0.000 2.063 380 K HA -0.204 4.130 4.320 0.023 0.000 0.208 380 K C 1.964 178.619 176.600 0.092 0.000 1.048 380 K CA 1.479 57.705 56.287 -0.102 0.000 0.928 380 K CB -0.279 32.029 32.500 -0.321 0.000 0.713 380 K HN 0.489 nan 8.250 nan 0.000 0.442 381 Q N 0.336 120.339 119.800 0.338 0.000 2.226 381 Q HA -0.063 4.291 4.340 0.023 0.000 0.204 381 Q C 0.899 177.217 176.000 0.529 0.000 0.975 381 Q CA 0.771 56.874 55.803 0.501 0.000 0.866 381 Q CB 0.058 29.050 28.738 0.423 0.000 0.915 381 Q HN 0.290 nan 8.270 nan 0.000 0.440 382 N N 0.793 119.752 118.700 0.431 0.000 2.295 382 N HA 0.037 4.791 4.740 0.023 0.000 0.221 382 N C -0.611 175.014 175.510 0.193 0.000 1.129 382 N CA 0.045 53.338 53.050 0.405 0.000 0.836 382 N CB 0.590 39.390 38.487 0.521 0.000 1.040 382 N HN 0.180 nan 8.380 nan 0.000 0.494 383 N N 0.062 118.884 118.700 0.204 0.000 2.776 383 N HA -0.190 4.564 4.740 0.023 0.000 0.250 383 N C -0.812 174.616 175.510 -0.137 0.000 1.112 383 N CA 0.810 53.926 53.050 0.111 0.000 0.733 383 N CB -1.784 36.711 38.487 0.012 0.000 1.097 383 N HN 0.254 nan 8.380 nan 0.000 0.558 384 F N 1.069 121.046 119.950 0.044 0.000 2.379 384 F HA 0.339 4.879 4.527 0.023 0.000 0.332 384 F C 1.728 177.528 175.800 -0.001 0.000 1.096 384 F CA -0.557 57.444 58.000 0.003 0.000 1.105 384 F CB 0.868 39.837 39.000 -0.052 0.000 1.189 384 F HN 0.041 nan 8.300 nan 0.000 0.515 385 N N 0.432 119.245 118.700 0.187 0.000 2.143 385 N HA 0.450 5.204 4.740 0.023 0.000 0.229 385 N C -0.905 174.660 175.510 0.093 0.000 1.294 385 N CA -0.051 53.044 53.050 0.074 0.000 0.883 385 N CB 0.775 39.351 38.487 0.147 0.000 1.148 385 N HN 0.482 nan 8.380 nan 0.000 0.511 386 A N -0.520 122.416 122.820 0.194 0.000 2.594 386 A HA 0.760 5.094 4.320 0.023 0.000 0.295 386 A C -1.774 176.022 177.584 0.352 0.000 1.071 386 A CA -0.711 51.502 52.037 0.293 0.000 0.685 386 A CB 1.788 20.973 19.000 0.307 0.000 1.285 386 A HN 0.239 nan 8.150 nan 0.000 0.405 387 V N 1.133 121.313 119.914 0.443 0.000 2.841 387 V HA 0.807 4.941 4.120 0.023 0.000 0.310 387 V C -0.613 175.641 176.094 0.267 0.000 1.090 387 V CA -0.740 61.779 62.300 0.366 0.000 0.930 387 V CB 1.876 33.837 31.823 0.230 0.000 1.014 387 V HN 1.099 nan 8.190 nan 0.000 0.425 388 R N 4.970 125.470 120.500 0.000 0.000 2.338 388 R HA 0.463 4.817 4.340 0.023 0.000 0.317 388 R C -0.714 175.447 176.300 -0.232 0.000 0.968 388 R CA -0.486 55.414 56.100 -0.334 0.000 0.849 388 R CB 1.013 30.910 30.300 -0.673 0.000 1.128 388 R HN 0.823 nan 8.270 nan 0.000 0.448 389 C N 4.555 123.748 119.300 -0.179 0.000 3.329 389 C HA 0.084 4.558 4.460 0.023 0.000 0.537 389 C C 0.610 175.314 174.990 -0.477 0.000 1.034 389 C CA -0.362 58.494 59.018 -0.270 0.000 1.086 389 C CB -2.192 25.508 27.740 -0.067 0.000 1.392 389 C HN 0.727 nan 8.230 nan 0.000 0.612 390 S N 1.484 116.781 115.700 -0.672 0.000 2.498 390 S HA 0.156 4.640 4.470 0.023 0.000 0.281 390 S C -0.135 173.625 174.600 -1.399 0.000 1.265 390 S CA 0.162 57.710 58.200 -1.086 0.000 1.071 390 S CB 0.227 62.762 63.200 -1.109 0.000 0.894 390 S HN 0.726 nan 8.310 nan 0.000 0.491 391 H N 3.733 122.292 119.070 -0.852 0.000 2.379 391 H HA 0.336 4.906 4.556 0.023 0.000 0.229 391 H C -1.169 174.087 175.328 -0.120 0.000 1.423 391 H CA -0.332 55.558 56.048 -0.264 0.000 1.375 391 H CB -0.120 29.667 29.762 0.042 0.000 1.592 391 H HN 0.892 nan 8.280 nan 0.000 0.507 392 Y N -2.627 117.787 120.300 0.190 0.000 2.765 392 Y HA 0.381 4.945 4.550 0.024 0.000 0.350 392 Y C -3.374 172.641 175.900 0.191 0.000 1.196 392 Y CA -2.984 55.235 58.100 0.198 0.000 1.119 392 Y CB 0.040 38.624 38.460 0.206 0.000 1.368 392 Y HN -0.060 nan 8.280 nan 0.000 0.463 393 P HA 0.177 nan 4.420 nan 0.000 0.271 393 P C -0.624 176.972 177.300 0.493 0.000 1.216 393 P CA 0.076 63.433 63.100 0.429 0.000 0.776 393 P CB 0.596 32.481 31.700 0.307 0.000 0.881 394 N N 0.581 119.587 118.700 0.511 0.000 2.458 394 N HA 0.078 4.832 4.740 0.023 0.000 0.271 394 N C 0.158 175.924 175.510 0.428 0.000 1.210 394 N CA -0.553 52.713 53.050 0.361 0.000 0.978 394 N CB 0.331 38.819 38.487 0.002 0.000 1.206 394 N HN 0.604 nan 8.380 nan 0.000 0.536 395 H N 2.106 121.290 119.070 0.189 0.000 3.064 395 H HA -0.015 4.555 4.556 0.023 0.000 0.329 395 H C -1.657 173.849 175.328 0.296 0.000 1.020 395 H CA -0.734 55.411 56.048 0.162 0.000 1.402 395 H CB 0.934 30.753 29.762 0.095 0.000 1.379 395 H HN 0.430 nan 8.280 nan 0.000 0.594 396 P HA -0.200 nan 4.420 nan 0.000 0.217 396 P C 1.855 179.485 177.300 0.549 0.000 1.148 396 P CA 0.751 64.127 63.100 0.460 0.000 0.828 396 P CB 0.183 31.999 31.700 0.195 0.000 0.783 397 L N -1.113 120.500 121.223 0.650 0.000 2.191 397 L HA -0.051 4.303 4.340 0.023 0.000 0.212 397 L C 2.358 179.377 176.870 0.248 0.000 1.103 397 L CA 1.383 56.440 54.840 0.362 0.000 0.769 397 L CB -1.328 40.869 42.059 0.230 0.000 0.908 397 L HN 0.022 nan 8.230 nan 0.000 0.438 398 W N -0.375 120.942 121.300 0.029 0.000 2.318 398 W HA -0.361 4.312 4.660 0.022 0.000 0.313 398 W C 2.095 178.457 176.519 -0.263 0.000 1.221 398 W CA 2.156 59.388 57.345 -0.189 0.000 1.266 398 W CB -0.435 28.811 29.460 -0.357 0.000 1.150 398 W HN 0.275 nan 8.180 nan 0.000 0.496 399 Y N 0.627 120.845 120.300 -0.135 0.000 2.181 399 Y HA -0.217 4.347 4.550 0.023 0.000 0.288 399 Y C 2.883 178.525 175.900 -0.430 0.000 1.146 399 Y CA 2.165 59.969 58.100 -0.493 0.000 1.164 399 Y CB -1.318 36.544 38.460 -0.996 0.000 0.982 399 Y HN -0.216 nan 8.280 nan 0.000 0.515 400 T N 0.728 115.262 114.554 -0.033 0.000 2.720 400 T HA -0.183 4.181 4.350 0.023 0.000 0.268 400 T C 1.971 176.696 174.700 0.042 0.000 1.037 400 T CA 1.524 63.693 62.100 0.114 0.000 1.144 400 T CB -0.553 68.444 68.868 0.215 0.000 0.864 400 T HN 0.240 nan 8.240 nan 0.000 0.444 401 L N 0.146 121.347 121.223 -0.036 0.000 2.093 401 L HA -0.077 4.277 4.340 0.023 0.000 0.208 401 L C 2.840 179.676 176.870 -0.057 0.000 1.085 401 L CA 0.810 55.653 54.840 0.005 0.000 0.755 401 L CB -0.633 41.398 42.059 -0.047 0.000 0.904 401 L HN 0.376 nan 8.230 nan 0.000 0.435 402 C N -0.238 118.864 119.300 -0.331 0.000 2.440 402 C HA -0.122 4.352 4.460 0.023 0.000 0.278 402 C C 2.399 177.427 174.990 0.063 0.000 1.295 402 C CA 0.360 59.224 59.018 -0.257 0.000 1.738 402 C CB -0.717 26.757 27.740 -0.443 0.000 1.987 402 C HN 0.532 nan 8.230 nan 0.000 0.492 403 D N 0.474 120.912 120.400 0.064 0.000 2.144 403 D HA -0.089 4.565 4.640 0.023 0.000 0.199 403 D C 2.394 178.901 176.300 0.346 0.000 0.984 403 D CA 1.175 55.295 54.000 0.200 0.000 0.834 403 D CB -0.305 40.575 40.800 0.132 0.000 0.955 403 D HN 0.532 nan 8.370 nan 0.000 0.465 404 R N -1.100 119.500 120.500 0.166 0.000 2.112 404 R HA 0.045 4.399 4.340 0.023 0.000 0.216 404 R C 2.072 178.342 176.300 -0.049 0.000 1.080 404 R CA 0.399 56.533 56.100 0.058 0.000 0.996 404 R CB -0.104 30.160 30.300 -0.060 0.000 0.902 404 R HN 0.253 nan 8.270 nan 0.000 0.449 405 Y N 0.120 120.432 120.300 0.019 0.000 2.420 405 Y HA 0.142 4.706 4.550 0.023 0.000 0.292 405 Y C 0.990 176.826 175.900 -0.107 0.000 1.119 405 Y CA 0.914 58.999 58.100 -0.025 0.000 1.229 405 Y CB 0.631 39.047 38.460 -0.073 0.000 1.026 405 Y HN 0.233 nan 8.280 nan 0.000 0.554 406 G N 1.144 109.986 108.800 0.070 0.000 2.780 406 G HA2 -0.136 3.838 3.960 0.023 0.000 0.364 406 G HA3 -0.136 3.838 3.960 0.023 0.000 0.364 406 G C -1.210 173.555 174.900 -0.225 0.000 1.045 406 G CA -0.560 44.468 45.100 -0.121 0.000 1.202 406 G HN 0.157 nan 8.290 nan 0.000 0.534 407 L N 1.131 122.292 121.223 -0.103 0.000 2.445 407 L HA 0.494 4.848 4.340 0.023 0.000 0.262 407 L C -0.086 176.790 176.870 0.010 0.000 0.974 407 L CA -1.283 53.453 54.840 -0.173 0.000 0.822 407 L CB 2.081 44.061 42.059 -0.132 0.000 1.339 407 L HN 0.487 nan 8.230 nan 0.000 0.409 408 Y N 1.809 122.245 120.300 0.227 0.000 2.377 408 Y HA 0.396 4.962 4.550 0.026 0.000 0.330 408 Y C 0.182 176.217 175.900 0.225 0.000 1.108 408 Y CA -0.689 57.577 58.100 0.276 0.000 1.308 408 Y CB 1.351 39.950 38.460 0.233 0.000 1.216 408 Y HN 0.154 nan 8.280 nan 0.000 0.518 409 V N 4.360 124.469 119.914 0.325 0.000 2.680 409 V HA 0.339 4.473 4.120 0.023 0.000 0.309 409 V C -0.631 175.550 176.094 0.145 0.000 1.052 409 V CA -1.010 61.422 62.300 0.219 0.000 0.908 409 V CB 2.046 33.958 31.823 0.148 0.000 1.001 409 V HN 0.448 nan 8.190 nan 0.000 0.431 410 V N 3.078 123.045 119.914 0.089 0.000 2.328 410 V HA 0.338 4.472 4.120 0.023 0.000 0.278 410 V C -0.354 175.778 176.094 0.064 0.000 1.021 410 V CA -0.416 61.887 62.300 0.004 0.000 0.838 410 V CB 1.453 33.174 31.823 -0.171 0.000 0.999 410 V HN 0.869 nan 8.190 nan 0.000 0.447 411 D N 4.148 124.625 120.400 0.129 0.000 2.295 411 D HA 0.302 4.956 4.640 0.023 0.000 0.248 411 D C -0.211 176.290 176.300 0.335 0.000 1.154 411 D CA -0.024 54.153 54.000 0.296 0.000 0.857 411 D CB 1.245 42.267 40.800 0.369 0.000 1.117 411 D HN 0.687 nan 8.370 nan 0.000 0.468 412 E N 1.925 122.285 120.200 0.267 0.000 2.199 412 E HA 0.607 4.971 4.350 0.023 0.000 0.265 412 E C -1.001 175.745 176.600 0.242 0.000 0.882 412 E CA -1.042 55.500 56.400 0.236 0.000 0.759 412 E CB 1.296 31.090 29.700 0.156 0.000 1.148 412 E HN 0.462 nan 8.360 nan 0.000 0.412 413 A N 3.972 126.925 122.820 0.223 0.000 2.483 413 A HA 0.042 4.376 4.320 0.023 0.000 0.238 413 A C 0.343 178.058 177.584 0.219 0.000 1.070 413 A CA -0.197 51.950 52.037 0.183 0.000 0.770 413 A CB 0.124 19.196 19.000 0.120 0.000 1.008 413 A HN 0.710 nan 8.150 nan 0.000 0.497 414 N N 1.393 120.230 118.700 0.229 0.000 2.971 414 N HA 0.239 4.993 4.740 0.023 0.000 0.294 414 N C -1.013 174.633 175.510 0.226 0.000 1.210 414 N CA 0.273 53.493 53.050 0.283 0.000 1.157 414 N CB -0.838 37.814 38.487 0.274 0.000 1.450 414 N HN 0.480 nan 8.380 nan 0.000 0.527 415 I N 1.081 121.778 120.570 0.213 0.000 2.497 415 I HA 0.274 4.458 4.170 0.023 0.000 0.284 415 I C -0.621 175.603 176.117 0.179 0.000 1.060 415 I CA -0.641 60.765 61.300 0.177 0.000 1.071 415 I CB 1.787 39.863 38.000 0.127 0.000 1.216 415 I HN 0.264 nan 8.210 nan 0.000 0.442 416 E N 4.320 124.619 120.200 0.166 0.000 2.287 416 E HA 0.387 4.751 4.350 0.023 0.000 0.274 416 E C -0.715 175.951 176.600 0.110 0.000 0.896 416 E CA -0.503 55.965 56.400 0.114 0.000 0.788 416 E CB 1.646 31.396 29.700 0.084 0.000 1.244 416 E HN 0.582 nan 8.360 nan 0.000 0.408 417 T N 0.599 115.206 114.554 0.089 0.000 3.533 417 T HA 0.170 4.534 4.350 0.023 0.000 0.275 417 T C 0.814 175.558 174.700 0.072 0.000 1.000 417 T CA -0.337 61.840 62.100 0.128 0.000 1.015 417 T CB -0.312 68.617 68.868 0.103 0.000 1.153 417 T HN 0.667 nan 8.240 nan 0.000 0.504 418 H N 1.208 120.193 119.070 -0.142 0.000 2.390 418 H HA -0.048 4.522 4.556 0.024 0.000 0.298 418 H C 2.357 177.568 175.328 -0.196 0.000 1.106 418 H CA 1.356 57.300 56.048 -0.174 0.000 1.297 418 H CB -0.191 29.435 29.762 -0.227 0.000 1.375 418 H HN 0.586 nan 8.280 nan 0.000 0.509 419 G N 0.256 108.915 108.800 -0.236 0.000 2.559 419 G HA2 -0.103 3.871 3.960 0.023 0.000 0.216 419 G HA3 -0.103 3.871 3.960 0.023 0.000 0.216 419 G C 0.536 175.550 174.900 0.191 0.000 1.126 419 G CA 0.016 44.992 45.100 -0.208 0.000 0.778 419 G HN 0.158 nan 8.290 nan 0.000 0.543 420 M N 0.189 119.940 119.600 0.251 0.000 2.202 420 M HA 0.362 4.856 4.480 0.023 0.000 0.316 420 M C -0.403 175.936 176.300 0.065 0.000 1.138 420 M CA -0.411 54.989 55.300 0.166 0.000 1.151 420 M CB 1.414 34.066 32.600 0.086 0.000 1.422 420 M HN -0.212 nan 8.290 nan 0.000 0.471 421 V N 3.782 123.713 119.914 0.028 0.000 2.447 421 V HA 0.378 4.512 4.120 0.023 0.000 0.292 421 V C -1.959 174.130 176.094 -0.008 0.000 1.021 421 V CA -1.220 61.082 62.300 0.004 0.000 0.850 421 V CB 1.830 33.651 31.823 -0.005 0.000 1.005 421 V HN 0.739 nan 8.190 nan 0.000 0.426 422 P HA 0.287 nan 4.420 nan 0.000 0.279 422 P C 1.027 178.330 177.300 0.005 0.000 1.282 422 P CA -0.585 62.512 63.100 -0.005 0.000 0.788 422 P CB 1.107 32.804 31.700 -0.004 0.000 1.139 423 M N 0.493 120.099 119.600 0.011 0.000 2.202 423 M HA -0.179 4.315 4.480 0.023 0.000 0.262 423 M C 1.175 177.493 176.300 0.031 0.000 1.063 423 M CA 1.945 57.260 55.300 0.023 0.000 1.097 423 M CB -0.481 32.120 32.600 0.001 0.000 1.382 423 M HN 0.370 nan 8.290 nan 0.000 0.413 424 N N -0.234 118.484 118.700 0.030 0.000 2.276 424 N HA -0.056 4.698 4.740 0.023 0.000 0.212 424 N C 1.107 176.600 175.510 -0.028 0.000 1.127 424 N CA 0.103 53.173 53.050 0.033 0.000 0.834 424 N CB -0.713 37.808 38.487 0.057 0.000 1.014 424 N HN 0.352 nan 8.380 nan 0.000 0.491 425 R N 0.405 120.875 120.500 -0.049 0.000 2.117 425 R HA -0.020 4.334 4.340 0.023 0.000 0.243 425 R C 1.314 177.520 176.300 -0.157 0.000 1.143 425 R CA 1.391 57.440 56.100 -0.085 0.000 0.968 425 R CB -0.036 30.212 30.300 -0.086 0.000 0.863 425 R HN 0.304 nan 8.270 nan 0.000 0.444 426 L N -0.775 120.297 121.223 -0.252 0.000 2.202 426 L HA 0.015 4.369 4.340 0.023 0.000 0.205 426 L C 2.413 179.153 176.870 -0.217 0.000 1.083 426 L CA 1.207 55.781 54.840 -0.444 0.000 0.790 426 L CB -0.401 41.136 42.059 -0.869 0.000 0.942 426 L HN 0.332 nan 8.230 nan 0.000 0.452 427 T N -4.478 109.982 114.554 -0.156 0.000 3.072 427 T HA -0.134 4.230 4.350 0.023 0.000 0.266 427 T C 1.247 175.863 174.700 -0.140 0.000 1.127 427 T CA 0.998 62.993 62.100 -0.174 0.000 1.107 427 T CB -0.173 68.566 68.868 -0.216 0.000 0.910 427 T HN 0.081 nan 8.240 nan 0.000 0.513 428 D N 1.155 121.505 120.400 -0.083 0.000 2.349 428 D HA 0.111 4.765 4.640 0.023 0.000 0.214 428 D C -0.241 176.042 176.300 -0.029 0.000 1.063 428 D CA -0.197 53.764 54.000 -0.065 0.000 0.847 428 D CB -0.052 40.718 40.800 -0.050 0.000 0.933 428 D HN 0.344 nan 8.370 nan 0.000 0.513 429 D N -0.185 120.214 120.400 -0.002 0.000 2.280 429 D HA 0.133 4.787 4.640 0.023 0.000 0.236 429 D C -1.736 174.616 176.300 0.086 0.000 1.082 429 D CA -2.145 51.890 54.000 0.058 0.000 0.834 429 D CB 2.183 43.058 40.800 0.126 0.000 1.100 429 D HN -0.046 nan 8.370 nan 0.000 0.486 430 P HA -0.049 nan 4.420 nan 0.000 0.223 430 P C 0.899 178.204 177.300 0.008 0.000 1.151 430 P CA 0.579 63.691 63.100 0.020 0.000 0.787 430 P CB 0.329 32.029 31.700 -0.001 0.000 0.788 431 R N -1.621 118.891 120.500 0.019 0.000 2.237 431 R HA -0.067 4.287 4.340 0.023 0.000 0.219 431 R C 1.365 177.542 176.300 -0.205 0.000 1.080 431 R CA 1.057 57.102 56.100 -0.092 0.000 0.995 431 R CB -0.586 29.638 30.300 -0.127 0.000 0.875 431 R HN 0.317 nan 8.270 nan 0.000 0.462 432 W N -0.007 121.241 121.300 -0.086 0.000 3.220 432 W HA 0.162 4.835 4.660 0.022 0.000 0.328 432 W C 1.466 177.928 176.519 -0.095 0.000 1.205 432 W CA -0.558 56.736 57.345 -0.087 0.000 1.773 432 W CB 0.101 29.509 29.460 -0.087 0.000 1.086 432 W HN 0.005 nan 8.180 nan 0.000 0.622 433 L N 2.210 123.459 121.223 0.044 0.000 2.046 433 L HA -0.037 4.317 4.340 0.023 0.000 0.208 433 L C -0.696 176.139 176.870 -0.058 0.000 1.077 433 L CA 2.268 57.098 54.840 -0.018 0.000 0.747 433 L CB -1.632 40.407 42.059 -0.034 0.000 0.896 433 L HN -0.239 nan 8.230 nan 0.000 0.432 434 P HA -0.151 nan 4.420 nan 0.000 0.214 434 P C 1.645 178.889 177.300 -0.094 0.000 1.163 434 P CA 2.215 65.251 63.100 -0.105 0.000 0.883 434 P CB -0.274 31.354 31.700 -0.119 0.000 0.788 435 A N -0.941 121.833 122.820 -0.077 0.000 1.908 435 A HA -0.217 4.117 4.320 0.023 0.000 0.218 435 A C 2.282 179.877 177.584 0.018 0.000 1.181 435 A CA 2.140 54.165 52.037 -0.021 0.000 0.627 435 A CB -1.550 17.459 19.000 0.015 0.000 0.818 435 A HN 0.114 nan 8.150 nan 0.000 0.445 436 M N 0.128 119.750 119.600 0.036 0.000 2.175 436 M HA -0.139 4.355 4.480 0.023 0.000 0.264 436 M C 2.544 178.791 176.300 -0.088 0.000 1.063 436 M CA 1.675 56.975 55.300 0.001 0.000 1.119 436 M CB -0.315 32.268 32.600 -0.029 0.000 1.377 436 M HN 0.680 nan 8.290 nan 0.000 0.415 437 S N 0.381 116.001 115.700 -0.133 0.000 2.383 437 S HA -0.183 4.301 4.470 0.023 0.000 0.229 437 S C 1.556 175.988 174.600 -0.279 0.000 1.030 437 S CA 1.454 59.508 58.200 -0.243 0.000 1.002 437 S CB -0.630 62.398 63.200 -0.286 0.000 0.829 437 S HN 0.531 nan 8.310 nan 0.000 0.467 438 E N 1.117 121.201 120.200 -0.193 0.000 2.153 438 E HA -0.106 4.258 4.350 0.023 0.000 0.194 438 E C 2.380 178.892 176.600 -0.147 0.000 0.988 438 E CA 0.976 57.268 56.400 -0.180 0.000 0.811 438 E CB -0.170 29.462 29.700 -0.114 0.000 0.746 438 E HN 0.583 nan 8.360 nan 0.000 0.466 439 R N 0.143 120.589 120.500 -0.091 0.000 2.148 439 R HA -0.067 4.287 4.340 0.023 0.000 0.227 439 R C 2.227 178.487 176.300 -0.067 0.000 1.103 439 R CA 0.684 56.763 56.100 -0.036 0.000 0.983 439 R CB 0.047 30.367 30.300 0.035 0.000 0.874 439 R HN 0.021 nan 8.270 nan 0.000 0.451 440 V N 0.049 119.875 119.914 -0.147 0.000 2.374 440 V HA -0.169 3.965 4.120 0.023 0.000 0.241 440 V C 2.468 178.371 176.094 -0.317 0.000 1.034 440 V CA 2.065 64.255 62.300 -0.183 0.000 1.037 440 V CB -0.270 31.436 31.823 -0.195 0.000 0.682 440 V HN 0.502 nan 8.190 nan 0.000 0.463 441 T N -0.508 113.728 114.554 -0.530 0.000 2.746 441 T HA -0.260 4.104 4.350 0.023 0.000 0.267 441 T C 1.919 176.438 174.700 -0.302 0.000 1.039 441 T CA 1.533 63.214 62.100 -0.699 0.000 1.142 441 T CB -0.441 67.828 68.868 -0.998 0.000 0.866 441 T HN 0.406 nan 8.240 nan 0.000 0.444 442 R N 0.236 120.594 120.500 -0.237 0.000 2.148 442 R HA 0.210 4.564 4.340 0.023 0.000 0.227 442 R C 2.619 178.838 176.300 -0.136 0.000 1.103 442 R CA 1.321 57.324 56.100 -0.162 0.000 0.983 442 R CB -0.439 29.776 30.300 -0.141 0.000 0.874 442 R HN 0.496 nan 8.270 nan 0.000 0.451 443 M N 0.475 120.001 119.600 -0.122 0.000 2.156 443 M HA -0.111 4.383 4.480 0.023 0.000 0.264 443 M C 1.850 178.073 176.300 -0.129 0.000 1.067 443 M CA 1.507 56.767 55.300 -0.066 0.000 1.131 443 M CB 0.154 32.751 32.600 -0.005 0.000 1.368 443 M HN -0.034 nan 8.290 nan 0.000 0.416 444 V N 1.203 120.933 119.914 -0.308 0.000 2.295 444 V HA -0.305 3.829 4.120 0.023 0.000 0.246 444 V C 2.273 178.260 176.094 -0.178 0.000 1.049 444 V CA 2.070 64.066 62.300 -0.508 0.000 1.024 444 V CB -0.935 30.567 31.823 -0.536 0.000 0.648 444 V HN 0.592 nan 8.190 nan 0.000 0.447 445 Q N -0.747 118.983 119.800 -0.117 0.000 2.181 445 Q HA -0.239 4.115 4.340 0.023 0.000 0.205 445 Q C 2.457 178.374 176.000 -0.138 0.000 0.980 445 Q CA 1.593 57.338 55.803 -0.096 0.000 0.862 445 Q CB -0.181 28.515 28.738 -0.070 0.000 0.905 445 Q HN 0.531 nan 8.270 nan 0.000 0.429 446 R N 0.186 120.598 120.500 -0.148 0.000 2.090 446 R HA -0.074 4.280 4.340 0.023 0.000 0.219 446 R C 0.511 176.736 176.300 -0.124 0.000 1.100 446 R CA 1.153 57.141 56.100 -0.186 0.000 0.991 446 R CB 0.472 30.662 30.300 -0.184 0.000 0.893 446 R HN 0.139 nan 8.270 nan 0.000 0.443 447 D N -0.193 120.198 120.400 -0.015 0.000 2.398 447 D HA -0.001 4.653 4.640 0.023 0.000 0.210 447 D C 1.309 177.710 176.300 0.169 0.000 1.094 447 D CA 0.089 54.123 54.000 0.057 0.000 0.839 447 D CB 0.287 41.080 40.800 -0.012 0.000 0.963 447 D HN 0.343 nan 8.370 nan 0.000 0.506 448 R N 0.645 121.263 120.500 0.197 0.000 2.241 448 R HA -0.004 4.350 4.340 0.023 0.000 0.224 448 R C 0.742 177.049 176.300 0.011 0.000 1.101 448 R CA 0.891 57.127 56.100 0.227 0.000 0.995 448 R CB -0.283 30.093 30.300 0.127 0.000 0.870 448 R HN -0.068 nan 8.270 nan 0.000 0.463 449 N N 0.326 118.952 118.700 -0.122 0.000 2.336 449 N HA -0.005 4.749 4.740 0.023 0.000 0.189 449 N C -0.478 174.888 175.510 -0.240 0.000 1.113 449 N CA 0.256 53.199 53.050 -0.178 0.000 0.858 449 N CB 0.088 38.449 38.487 -0.210 0.000 0.970 449 N HN 0.290 nan 8.380 nan 0.000 0.471 450 H N 1.586 120.599 119.070 -0.095 0.000 2.800 450 H HA 0.096 4.666 4.556 0.023 0.000 0.291 450 H C -1.158 174.020 175.328 -0.250 0.000 1.076 450 H CA -1.257 54.715 56.048 -0.126 0.000 1.452 450 H CB 1.515 31.238 29.762 -0.064 0.000 1.461 450 H HN 0.069 nan 8.280 nan 0.000 0.488 451 P HA -0.152 nan 4.420 nan 0.000 0.218 451 P C 1.386 178.190 177.300 -0.826 0.000 1.149 451 P CA 1.085 63.822 63.100 -0.606 0.000 0.817 451 P CB 0.283 31.410 31.700 -0.956 0.000 0.785 452 S N -0.775 114.541 115.700 -0.640 0.000 2.419 452 S HA -0.046 4.438 4.470 0.023 0.000 0.233 452 S C 1.136 175.709 174.600 -0.044 0.000 1.016 452 S CA 0.355 58.374 58.200 -0.302 0.000 0.974 452 S CB -1.503 61.680 63.200 -0.029 0.000 0.786 452 S HN -0.049 nan 8.310 nan 0.000 0.492 453 V N 3.613 123.472 119.914 -0.091 0.000 2.439 453 V HA 0.223 4.357 4.120 0.023 0.000 0.271 453 V C 1.118 177.084 176.094 -0.213 0.000 1.040 453 V CA -0.005 62.212 62.300 -0.138 0.000 1.002 453 V CB 0.379 32.031 31.823 -0.285 0.000 1.000 453 V HN 0.632 nan 8.190 nan 0.000 0.477 454 I N 2.891 123.393 120.570 -0.113 0.000 4.187 454 I HA 0.504 4.688 4.170 0.023 0.000 0.326 454 I C 0.408 176.419 176.117 -0.176 0.000 1.302 454 I CA 0.575 61.815 61.300 -0.100 0.000 1.196 454 I CB 0.500 38.527 38.000 0.044 0.000 1.095 454 I HN 0.322 nan 8.210 nan 0.000 0.411 455 I N 0.010 120.454 120.570 -0.210 0.000 2.722 455 I HA 0.355 4.539 4.170 0.023 0.000 0.295 455 I C -1.570 174.445 176.117 -0.170 0.000 1.161 455 I CA -0.430 60.784 61.300 -0.143 0.000 1.032 455 I CB 2.196 40.201 38.000 0.008 0.000 1.244 455 I HN 0.024 nan 8.210 nan 0.000 0.421 456 W N 3.727 125.078 121.300 0.085 0.000 2.438 456 W HA 0.614 5.286 4.660 0.020 0.000 0.324 456 W C 0.362 176.948 176.519 0.112 0.000 1.119 456 W CA -0.598 56.804 57.345 0.095 0.000 1.221 456 W CB 1.718 31.229 29.460 0.085 0.000 1.253 456 W HN 0.302 nan 8.180 nan 0.000 0.555 457 S N 2.777 118.713 115.700 0.394 0.000 2.500 457 S HA 0.395 4.879 4.470 0.023 0.000 0.301 457 S C 0.186 174.959 174.600 0.288 0.000 1.092 457 S CA -0.712 57.666 58.200 0.298 0.000 1.030 457 S CB 0.813 64.141 63.200 0.214 0.000 1.031 457 S HN 0.571 nan 8.310 nan 0.000 0.483 458 L N 4.257 125.647 121.223 0.279 0.000 2.650 458 L HA 0.339 4.693 4.340 0.023 0.000 0.235 458 L C 1.437 178.382 176.870 0.124 0.000 1.149 458 L CA 0.529 55.453 54.840 0.141 0.000 0.887 458 L CB -1.214 40.831 42.059 -0.024 0.000 1.021 458 L HN 1.015 nan 8.230 nan 0.000 0.441 459 G N 0.097 109.056 108.800 0.265 0.000 2.295 459 G HA2 -0.154 3.820 3.960 0.023 0.000 0.195 459 G HA3 -0.154 3.820 3.960 0.023 0.000 0.195 459 G C -1.482 173.626 174.900 0.346 0.000 1.269 459 G CA -0.419 44.846 45.100 0.275 0.000 1.170 459 G HN 0.220 nan 8.290 nan 0.000 0.511 460 N N 0.228 119.077 118.700 0.248 0.000 2.367 460 N HA 0.462 5.216 4.740 0.023 0.000 0.278 460 N C -0.516 174.952 175.510 -0.070 0.000 1.117 460 N CA 0.190 53.238 53.050 -0.003 0.000 0.867 460 N CB 1.525 39.735 38.487 -0.462 0.000 1.649 460 N HN 0.914 nan 8.380 nan 0.000 0.479 461 E N 0.788 120.853 120.200 -0.225 0.000 2.160 461 E HA -0.176 4.188 4.350 0.023 0.000 0.180 461 E C -0.829 175.686 176.600 -0.141 0.000 1.452 461 E CA 0.813 56.998 56.400 -0.358 0.000 0.683 461 E CB -1.322 27.934 29.700 -0.740 0.000 1.072 461 E HN 0.450 nan 8.360 nan 0.000 0.332 462 S N 0.014 115.774 115.700 0.100 0.000 2.941 462 S HA 0.410 4.894 4.470 0.023 0.000 0.251 462 S C 0.637 175.393 174.600 0.260 0.000 1.029 462 S CA -0.140 58.179 58.200 0.198 0.000 1.062 462 S CB 1.414 64.794 63.200 0.300 0.000 0.977 462 S HN 0.856 nan 8.310 nan 0.000 0.552 463 G N 1.996 110.880 108.800 0.140 0.000 2.601 463 G HA2 -0.256 3.718 3.960 0.023 0.000 0.261 463 G HA3 -0.256 3.718 3.960 0.023 0.000 0.261 463 G C -0.551 174.533 174.900 0.307 0.000 1.289 463 G CA -0.163 45.023 45.100 0.144 0.000 0.920 463 G HN 0.637 nan 8.290 nan 0.000 0.571 464 H N 0.510 119.690 119.070 0.183 0.000 2.823 464 H HA 0.587 5.157 4.556 0.023 0.000 0.332 464 H C 0.288 175.779 175.328 0.273 0.000 0.980 464 H CA 0.035 56.230 56.048 0.244 0.000 1.286 464 H CB 0.808 30.654 29.762 0.140 0.000 1.541 464 H HN 1.111 nan 8.280 nan 0.000 0.521 465 G N 1.488 110.313 108.800 0.041 0.000 2.600 465 G HA2 0.457 4.431 3.960 0.023 0.000 0.303 465 G HA3 0.457 4.431 3.960 0.023 0.000 0.303 465 G C 0.558 175.295 174.900 -0.272 0.000 1.253 465 G CA -0.169 44.825 45.100 -0.178 0.000 0.974 465 G HN 0.672 nan 8.290 nan 0.000 0.483 466 A N 0.255 122.967 122.820 -0.181 0.000 2.019 466 A HA -0.085 4.249 4.320 0.023 0.000 0.219 466 A C 2.107 179.658 177.584 -0.055 0.000 1.164 466 A CA 1.809 53.791 52.037 -0.092 0.000 0.644 466 A CB -0.408 18.565 19.000 -0.045 0.000 0.805 466 A HN 0.530 nan 8.150 nan 0.000 0.449 467 N N -0.192 118.438 118.700 -0.117 0.000 2.223 467 N HA -0.142 4.612 4.740 0.023 0.000 0.185 467 N C 1.362 176.794 175.510 -0.130 0.000 1.016 467 N CA 1.699 54.669 53.050 -0.134 0.000 0.863 467 N CB -0.665 37.707 38.487 -0.192 0.000 0.983 467 N HN 0.778 nan 8.380 nan 0.000 0.429 468 H N 0.339 119.378 119.070 -0.051 0.000 2.389 468 H HA -0.010 4.560 4.556 0.022 0.000 0.299 468 H C 1.256 176.647 175.328 0.105 0.000 1.081 468 H CA 1.244 57.273 56.048 -0.031 0.000 1.345 468 H CB 0.157 29.902 29.762 -0.028 0.000 1.393 468 H HN 0.188 nan 8.280 nan 0.000 0.520 469 D N 0.275 120.825 120.400 0.250 0.000 2.144 469 D HA -0.103 4.551 4.640 0.023 0.000 0.200 469 D C 2.286 178.736 176.300 0.250 0.000 0.978 469 D CA 1.108 55.262 54.000 0.257 0.000 0.833 469 D CB -0.290 40.632 40.800 0.203 0.000 0.961 469 D HN 0.426 nan 8.370 nan 0.000 0.470 470 A N 0.853 123.768 122.820 0.159 0.000 1.902 470 A HA -0.109 4.225 4.320 0.023 0.000 0.217 470 A C 2.395 180.087 177.584 0.181 0.000 1.181 470 A CA 0.901 53.024 52.037 0.143 0.000 0.623 470 A CB -0.717 18.327 19.000 0.072 0.000 0.818 470 A HN 0.195 nan 8.150 nan 0.000 0.443 471 L N -2.109 119.203 121.223 0.148 0.000 2.156 471 L HA -0.124 4.230 4.340 0.023 0.000 0.208 471 L C 2.548 179.559 176.870 0.235 0.000 1.095 471 L CA 1.394 56.325 54.840 0.152 0.000 0.770 471 L CB -0.700 41.374 42.059 0.025 0.000 0.914 471 L HN 0.601 nan 8.230 nan 0.000 0.439 472 Y N 1.422 121.807 120.300 0.143 0.000 2.128 472 Y HA -0.334 4.226 4.550 0.016 0.000 0.284 472 Y C 2.822 178.805 175.900 0.138 0.000 1.154 472 Y CA 1.838 60.025 58.100 0.146 0.000 1.149 472 Y CB -0.138 38.410 38.460 0.147 0.000 0.976 472 Y HN -0.032 nan 8.280 nan 0.000 0.505 473 R N -0.191 120.416 120.500 0.178 0.000 2.115 473 R HA -0.174 4.180 4.340 0.023 0.000 0.230 473 R C 2.004 178.305 176.300 0.002 0.000 1.111 473 R CA 1.709 57.832 56.100 0.039 0.000 0.976 473 R CB -1.373 29.035 30.300 0.179 0.000 0.870 473 R HN 0.650 nan 8.270 nan 0.000 0.445 474 W N 0.549 121.808 121.300 -0.068 0.000 2.335 474 W HA -0.177 4.498 4.660 0.025 0.000 0.311 474 W C 1.560 177.988 176.519 -0.152 0.000 1.213 474 W CA 2.116 59.406 57.345 -0.092 0.000 1.274 474 W CB -0.272 29.136 29.460 -0.086 0.000 1.148 474 W HN 0.081 nan 8.180 nan 0.000 0.498 475 I N 0.779 121.343 120.570 -0.011 0.000 2.142 475 I HA -0.356 3.828 4.170 0.023 0.000 0.240 475 I C 2.483 178.401 176.117 -0.332 0.000 1.078 475 I CA 1.439 62.587 61.300 -0.254 0.000 1.343 475 I CB -0.782 37.133 38.000 -0.141 0.000 1.046 475 I HN -0.127 nan 8.210 nan 0.000 0.405 476 K N 0.359 120.570 120.400 -0.314 0.000 2.160 476 K HA -0.182 4.152 4.320 0.023 0.000 0.206 476 K C 2.278 178.737 176.600 -0.236 0.000 1.047 476 K CA 1.558 57.684 56.287 -0.268 0.000 0.930 476 K CB -0.541 31.755 32.500 -0.339 0.000 0.720 476 K HN 0.280 nan 8.250 nan 0.000 0.450 477 S N 0.875 116.398 115.700 -0.296 0.000 2.377 477 S HA -0.083 4.401 4.470 0.023 0.000 0.223 477 S C 2.044 176.418 174.600 -0.378 0.000 1.030 477 S CA 1.171 59.197 58.200 -0.291 0.000 0.970 477 S CB -0.109 62.922 63.200 -0.282 0.000 0.830 477 S HN 0.172 nan 8.310 nan 0.000 0.473 478 V N -0.759 118.784 119.914 -0.619 0.000 2.719 478 V HA 0.250 4.384 4.120 0.023 0.000 0.252 478 V C 0.403 176.269 176.094 -0.381 0.000 1.065 478 V CA 1.428 63.371 62.300 -0.596 0.000 1.086 478 V CB -0.466 30.765 31.823 -0.986 0.000 0.700 478 V HN 0.449 nan 8.190 nan 0.000 0.467 479 D N 0.748 120.971 120.400 -0.295 0.000 2.363 479 D HA 0.377 5.031 4.640 0.023 0.000 0.258 479 D C -2.107 174.181 176.300 -0.021 0.000 1.259 479 D CA -1.929 52.009 54.000 -0.102 0.000 0.921 479 D CB 1.679 42.505 40.800 0.043 0.000 1.201 479 D HN 0.178 nan 8.370 nan 0.000 0.524 480 P HA -0.053 nan 4.420 nan 0.000 0.237 480 P C 1.160 178.478 177.300 0.029 0.000 1.178 480 P CA 0.441 63.533 63.100 -0.013 0.000 0.766 480 P CB 0.090 31.777 31.700 -0.022 0.000 0.876 481 S N -1.178 114.546 115.700 0.041 0.000 2.515 481 S HA 0.010 4.494 4.470 0.023 0.000 0.231 481 S C 0.883 175.507 174.600 0.040 0.000 0.987 481 S CA 0.025 58.254 58.200 0.048 0.000 0.936 481 S CB -0.450 62.772 63.200 0.038 0.000 0.766 481 S HN 0.094 nan 8.310 nan 0.000 0.528 482 R N 0.986 121.520 120.500 0.057 0.000 2.621 482 R HA 0.528 4.882 4.340 0.023 0.000 0.284 482 R C -3.226 173.117 176.300 0.071 0.000 0.998 482 R CA -2.209 53.890 56.100 -0.002 0.000 0.895 482 R CB 1.622 31.802 30.300 -0.200 0.000 1.195 482 R HN 0.139 nan 8.270 nan 0.000 0.450 483 P HA 0.081 nan 4.420 nan 0.000 0.272 483 P C -0.784 176.616 177.300 0.165 0.000 1.230 483 P CA -0.396 62.763 63.100 0.098 0.000 0.788 483 P CB 0.655 32.401 31.700 0.076 0.000 0.949 484 V N 2.247 122.286 119.914 0.209 0.000 2.459 484 V HA 0.393 4.527 4.120 0.023 0.000 0.295 484 V C 0.263 176.541 176.094 0.307 0.000 1.029 484 V CA -0.236 62.237 62.300 0.288 0.000 0.874 484 V CB 1.052 33.011 31.823 0.226 0.000 0.985 484 V HN 0.613 nan 8.190 nan 0.000 0.438 485 Q N 4.023 123.988 119.800 0.274 0.000 2.458 485 Q HA 0.802 5.156 4.340 0.023 0.000 0.282 485 Q C -1.857 174.315 176.000 0.286 0.000 1.106 485 Q CA -0.906 55.030 55.803 0.221 0.000 0.814 485 Q CB 2.976 31.788 28.738 0.125 0.000 1.425 485 Q HN 0.635 nan 8.270 nan 0.000 0.437 486 Y N 0.099 120.419 120.300 0.033 0.000 2.409 486 Y HA 0.142 4.705 4.550 0.021 0.000 0.321 486 Y C -0.582 175.268 175.900 -0.083 0.000 1.209 486 Y CA -0.733 57.355 58.100 -0.019 0.000 1.086 486 Y CB 2.000 40.443 38.460 -0.029 0.000 1.320 486 Y HN 0.947 nan 8.280 nan 0.000 0.440 487 E N 3.338 123.053 120.200 -0.807 0.000 2.250 487 E HA 0.134 4.498 4.350 0.023 0.000 0.192 487 E C 0.661 176.812 176.600 -0.748 0.000 0.986 487 E CA 0.771 56.797 56.400 -0.624 0.000 0.849 487 E CB 0.237 29.700 29.700 -0.396 0.000 0.797 487 E HN 0.884 nan 8.360 nan 0.000 0.482 488 G N -0.286 107.670 108.800 -1.407 0.000 2.559 488 G HA2 0.257 4.231 3.960 0.023 0.000 0.235 488 G HA3 0.257 4.231 3.960 0.023 0.000 0.235 488 G C 0.787 175.540 174.900 -0.245 0.000 1.266 488 G CA 0.287 44.968 45.100 -0.698 0.000 0.847 488 G HN 0.343 nan 8.290 nan 0.000 0.583 489 G N -0.690 108.069 108.800 -0.068 0.000 2.143 489 G HA2 0.231 4.205 3.960 0.023 0.000 0.248 489 G HA3 0.231 4.205 3.960 0.023 0.000 0.248 489 G C 1.260 176.173 174.900 0.021 0.000 0.991 489 G CA 0.969 46.098 45.100 0.048 0.000 0.689 489 G HN 2.616 nan 8.290 nan 0.000 0.522 490 G N -1.441 107.362 108.800 0.004 0.000 2.205 490 G HA2 0.442 4.416 3.960 0.023 0.000 0.180 490 G HA3 0.442 4.416 3.960 0.023 0.000 0.180 490 G C 1.008 176.033 174.900 0.208 0.000 1.004 490 G CA 1.345 46.513 45.100 0.112 0.000 0.670 490 G HN 2.354 nan 8.290 nan 0.000 0.496 491 A N -0.253 122.573 122.820 0.010 0.000 3.661 491 A HA -0.111 4.223 4.320 0.023 0.000 0.269 491 A C 1.076 178.599 177.584 -0.103 0.000 1.056 491 A CA 2.587 54.569 52.037 -0.091 0.000 1.159 491 A CB -1.775 17.135 19.000 -0.150 0.000 1.105 491 A HN 2.126 nan 8.150 nan 0.000 0.907 492 D N -0.713 119.712 120.400 0.040 0.000 2.760 492 D HA 0.317 4.971 4.640 0.023 0.000 0.314 492 D C 0.370 176.671 176.300 0.001 0.000 1.464 492 D CA 0.860 54.888 54.000 0.046 0.000 0.797 492 D CB -1.147 39.829 40.800 0.293 0.000 1.149 492 D HN 0.844 nan 8.370 nan 0.000 0.455 493 T N -2.409 112.079 114.554 -0.110 0.000 2.698 493 T HA 0.211 4.575 4.350 0.023 0.000 0.295 493 T C 1.580 176.134 174.700 -0.242 0.000 1.007 493 T CA 0.447 62.399 62.100 -0.246 0.000 0.980 493 T CB 0.876 69.369 68.868 -0.624 0.000 1.036 493 T HN 0.085 nan 8.240 nan 0.000 0.526 494 T N -2.629 111.759 114.554 -0.278 0.000 3.163 494 T HA 0.240 4.604 4.350 0.023 0.000 0.260 494 T C 1.450 175.886 174.700 -0.439 0.000 1.156 494 T CA 0.217 62.172 62.100 -0.242 0.000 1.072 494 T CB -0.469 68.338 68.868 -0.102 0.000 0.937 494 T HN 0.833 nan 8.240 nan 0.000 0.528 495 A N 0.468 123.057 122.820 -0.385 0.000 2.460 495 A HA 0.522 4.856 4.320 0.023 0.000 0.258 495 A C 0.778 178.215 177.584 -0.245 0.000 1.300 495 A CA -0.338 51.465 52.037 -0.391 0.000 0.913 495 A CB 0.075 19.120 19.000 0.075 0.000 1.031 495 A HN 0.425 nan 8.150 nan 0.000 0.512 496 T N -1.437 112.970 114.554 -0.245 0.000 2.952 496 T HA 0.373 4.737 4.350 0.023 0.000 0.305 496 T C -0.631 174.093 174.700 0.041 0.000 1.064 496 T CA -0.422 61.685 62.100 0.012 0.000 1.008 496 T CB 1.258 70.132 68.868 0.010 0.000 1.078 496 T HN 0.071 nan 8.240 nan 0.000 0.459 497 D N 2.894 123.401 120.400 0.178 0.000 2.348 497 D HA 0.282 4.936 4.640 0.023 0.000 0.211 497 D C 0.329 176.663 176.300 0.058 0.000 0.998 497 D CA 0.715 54.804 54.000 0.147 0.000 0.873 497 D CB 0.375 41.292 40.800 0.195 0.000 0.925 497 D HN 0.545 nan 8.370 nan 0.000 0.524 498 I N 0.896 121.481 120.570 0.026 0.000 2.582 498 I HA 0.252 4.436 4.170 0.023 0.000 0.292 498 I C -0.252 175.802 176.117 -0.104 0.000 1.066 498 I CA -0.896 60.385 61.300 -0.032 0.000 1.053 498 I CB 2.856 40.850 38.000 -0.009 0.000 1.241 498 I HN -0.352 nan 8.210 nan 0.000 0.421 499 I N 5.757 126.218 120.570 -0.182 0.000 2.505 499 I HA 0.036 4.220 4.170 0.023 0.000 0.287 499 I C 0.238 176.148 176.117 -0.346 0.000 1.104 499 I CA 0.070 61.162 61.300 -0.346 0.000 1.387 499 I CB 0.149 37.827 38.000 -0.536 0.000 1.404 499 I HN 0.677 nan 8.210 nan 0.000 0.528 500 C N 5.849 124.962 119.300 -0.312 0.000 3.401 500 C HA 0.475 4.949 4.460 0.023 0.000 0.204 500 C C -2.080 172.775 174.990 -0.225 0.000 1.522 500 C CA -2.225 56.661 59.018 -0.219 0.000 1.409 500 C CB -0.848 26.822 27.740 -0.117 0.000 1.967 500 C HN 0.424 nan 8.230 nan 0.000 0.496 501 P HA 0.288 nan 4.420 nan 0.000 0.273 501 P C -0.432 176.809 177.300 -0.099 0.000 1.250 501 P CA 0.305 63.302 63.100 -0.171 0.000 0.793 501 P CB 0.789 32.408 31.700 -0.134 0.000 1.011 502 M N -0.197 119.363 119.600 -0.067 0.000 2.167 502 M HA 0.423 4.917 4.480 0.023 0.000 0.333 502 M C -0.755 175.502 176.300 -0.072 0.000 1.030 502 M CA -0.707 54.444 55.300 -0.249 0.000 0.963 502 M CB 1.036 33.469 32.600 -0.277 0.000 1.589 502 M HN 0.330 nan 8.290 nan 0.000 0.431 503 Y N -0.230 120.245 120.300 0.292 0.000 4.177 503 Y HA -0.218 4.347 4.550 0.024 0.000 0.227 503 Y C 0.494 176.575 175.900 0.302 0.000 1.154 503 Y CA 0.394 58.672 58.100 0.296 0.000 1.887 503 Y CB -2.228 36.382 38.460 0.248 0.000 1.594 503 Y HN 0.962 nan 8.280 nan 0.000 0.668 504 A N 1.101 124.138 122.820 0.362 0.000 2.440 504 A HA 0.580 4.914 4.320 0.023 0.000 0.251 504 A C 0.732 178.539 177.584 0.372 0.000 1.089 504 A CA -0.498 51.757 52.037 0.364 0.000 0.779 504 A CB 0.421 19.669 19.000 0.414 0.000 1.022 504 A HN 0.427 nan 8.150 nan 0.000 0.492 505 R N 1.434 122.082 120.500 0.247 0.000 2.583 505 R HA 0.311 4.665 4.340 0.023 0.000 0.268 505 R C 1.005 177.277 176.300 -0.046 0.000 1.101 505 R CA -0.699 55.479 56.100 0.131 0.000 1.180 505 R CB 0.452 30.798 30.300 0.077 0.000 1.128 505 R HN 0.483 nan 8.270 nan 0.000 0.568 506 V N 0.640 120.360 119.914 -0.323 0.000 2.283 506 V HA -0.196 3.938 4.120 0.023 0.000 0.243 506 V C 1.030 177.004 176.094 -0.201 0.000 1.039 506 V CA 1.887 63.947 62.300 -0.399 0.000 1.016 506 V CB -0.263 31.193 31.823 -0.612 0.000 0.650 506 V HN 0.734 nan 8.190 nan 0.000 0.449 507 D N -1.448 118.869 120.400 -0.137 0.000 2.455 507 D HA 0.091 4.745 4.640 0.023 0.000 0.228 507 D C 0.958 177.245 176.300 -0.022 0.000 1.070 507 D CA 0.068 54.025 54.000 -0.071 0.000 0.881 507 D CB 0.621 41.382 40.800 -0.064 0.000 1.087 507 D HN 0.474 nan 8.370 nan 0.000 0.498 508 E N 1.905 122.095 120.200 -0.017 0.000 2.200 508 E HA 0.096 4.460 4.350 0.023 0.000 0.283 508 E C -0.792 175.810 176.600 0.004 0.000 1.015 508 E CA -0.563 55.836 56.400 -0.002 0.000 0.819 508 E CB 0.901 30.600 29.700 -0.002 0.000 1.081 508 E HN -0.169 nan 8.360 nan 0.000 0.397 509 D N 3.624 124.028 120.400 0.006 0.000 2.313 509 D HA 0.136 4.790 4.640 0.023 0.000 0.247 509 D C -0.587 175.605 176.300 -0.181 0.000 1.094 509 D CA 0.171 54.163 54.000 -0.014 0.000 0.925 509 D CB 1.168 42.032 40.800 0.106 0.000 1.188 509 D HN 0.418 nan 8.370 nan 0.000 0.430 510 Q N 1.272 120.838 119.800 -0.390 0.000 2.891 510 Q HA 0.238 4.592 4.340 0.023 0.000 0.242 510 Q C -2.259 173.145 176.000 -0.993 0.000 0.959 510 Q CA -1.460 53.923 55.803 -0.699 0.000 0.707 510 Q CB 2.464 30.763 28.738 -0.731 0.000 1.283 510 Q HN 0.168 nan 8.270 nan 0.000 0.480 511 P HA -0.003 nan 4.420 nan 0.000 0.225 511 P C -0.690 176.318 177.300 -0.486 0.000 1.768 511 P CA -0.035 62.658 63.100 -0.678 0.000 0.943 511 P CB -0.586 30.937 31.700 -0.294 0.000 1.936 512 F N 1.964 121.740 119.950 -0.291 0.000 2.553 512 F HA 0.161 4.702 4.527 0.022 0.000 0.356 512 F C -1.181 174.523 175.800 -0.159 0.000 1.142 512 F CA -2.272 55.622 58.000 -0.177 0.000 1.322 512 F CB -0.687 38.226 39.000 -0.145 0.000 1.126 512 F HN 0.059 nan 8.300 nan 0.000 0.599 513 P HA 0.111 nan 4.420 nan 0.000 0.268 513 P C 0.335 177.659 177.300 0.040 0.000 1.205 513 P CA 0.998 64.124 63.100 0.044 0.000 0.771 513 P CB 1.100 32.822 31.700 0.037 0.000 0.858 514 A N 2.522 125.360 122.820 0.031 0.000 2.070 514 A HA -0.252 4.082 4.320 0.023 0.000 0.231 514 A C 0.781 178.383 177.584 0.031 0.000 0.501 514 A CA 2.014 54.072 52.037 0.035 0.000 1.119 514 A CB -2.731 16.286 19.000 0.028 0.000 1.430 514 A HN 0.705 nan 8.150 nan 0.000 0.706 515 V N -2.728 117.198 119.914 0.019 0.000 2.572 515 V HA 0.551 4.685 4.120 0.023 0.000 0.274 515 V C -2.165 173.927 176.094 -0.003 0.000 1.075 515 V CA -1.250 61.060 62.300 0.016 0.000 1.237 515 V CB 0.388 32.215 31.823 0.006 0.000 1.517 515 V HN 0.541 nan 8.190 nan 0.000 0.616 516 P HA 0.218 nan 4.420 nan 0.000 0.269 516 P C -0.590 176.315 177.300 -0.660 0.000 1.215 516 P CA 0.192 62.949 63.100 -0.571 0.000 0.780 516 P CB 0.936 31.820 31.700 -1.361 0.000 0.898 517 K N 2.145 122.207 120.400 -0.563 0.000 2.419 517 K HA 0.212 4.546 4.320 0.023 0.000 0.244 517 K C -0.484 175.809 176.600 -0.512 0.000 1.045 517 K CA -0.281 55.855 56.287 -0.253 0.000 1.004 517 K CB 0.353 32.973 32.500 0.199 0.000 1.376 517 K HN 0.454 nan 8.250 nan 0.000 0.460 518 W N 1.335 122.368 121.300 -0.446 0.000 2.126 518 W HA 0.067 4.741 4.660 0.023 0.000 0.346 518 W C 1.302 177.843 176.519 0.036 0.000 1.279 518 W CA -0.367 56.792 57.345 -0.310 0.000 1.259 518 W CB 0.485 29.595 29.460 -0.583 0.000 1.133 518 W HN 0.367 nan 8.180 nan 0.000 0.592 519 S N 3.354 119.214 115.700 0.267 0.000 2.558 519 S HA -0.089 4.395 4.470 0.023 0.000 0.293 519 S C 1.285 176.041 174.600 0.259 0.000 1.292 519 S CA -0.122 58.182 58.200 0.175 0.000 1.063 519 S CB 0.117 63.375 63.200 0.096 0.000 0.831 519 S HN 0.509 nan 8.310 nan 0.000 0.499 520 I N 2.217 122.899 120.570 0.187 0.000 2.361 520 I HA -0.158 4.026 4.170 0.023 0.000 0.251 520 I C 2.025 178.177 176.117 0.058 0.000 1.133 520 I CA 1.342 62.751 61.300 0.181 0.000 1.413 520 I CB -0.450 37.594 38.000 0.074 0.000 1.073 520 I HN 0.582 nan 8.210 nan 0.000 0.424 521 K N 1.583 121.921 120.400 -0.104 0.000 2.057 521 K HA -0.160 4.174 4.320 0.023 0.000 0.206 521 K C 2.308 178.920 176.600 0.020 0.000 1.050 521 K CA 1.790 57.936 56.287 -0.235 0.000 0.935 521 K CB -0.181 32.116 32.500 -0.338 0.000 0.715 521 K HN 0.382 nan 8.250 nan 0.000 0.439 522 K N -0.144 120.293 120.400 0.062 0.000 2.167 522 K HA -0.152 4.182 4.320 0.023 0.000 0.203 522 K C 1.857 178.516 176.600 0.098 0.000 1.052 522 K CA 0.705 57.024 56.287 0.053 0.000 0.956 522 K CB -0.061 32.442 32.500 0.006 0.000 0.735 522 K HN 0.200 nan 8.250 nan 0.000 0.451 523 W N 2.147 123.462 121.300 0.025 0.000 2.338 523 W HA -0.185 4.487 4.660 0.021 0.000 0.304 523 W C 1.525 178.041 176.519 -0.004 0.000 1.212 523 W CA 1.151 58.519 57.345 0.039 0.000 1.264 523 W CB -0.628 28.927 29.460 0.159 0.000 1.142 523 W HN 0.084 nan 8.180 nan 0.000 0.512 524 L N 0.865 122.252 121.223 0.274 0.000 2.129 524 L HA -0.255 4.099 4.340 0.023 0.000 0.212 524 L C 2.244 179.188 176.870 0.124 0.000 1.087 524 L CA 2.031 56.967 54.840 0.161 0.000 0.757 524 L CB -1.007 41.135 42.059 0.139 0.000 0.896 524 L HN 0.012 nan 8.230 nan 0.000 0.434 525 S N -1.446 114.314 115.700 0.100 0.000 2.572 525 S HA 0.253 4.737 4.470 0.023 0.000 0.228 525 S C 0.574 175.170 174.600 -0.007 0.000 0.963 525 S CA -0.553 57.674 58.200 0.046 0.000 0.939 525 S CB -0.418 62.807 63.200 0.042 0.000 0.804 525 S HN 0.155 nan 8.310 nan 0.000 0.480 526 L N 2.043 123.254 121.223 -0.020 0.000 2.499 526 L HA 0.210 4.564 4.340 0.023 0.000 0.281 526 L C -2.165 174.673 176.870 -0.054 0.000 1.234 526 L CA -1.621 53.155 54.840 -0.107 0.000 0.839 526 L CB -0.382 41.578 42.059 -0.164 0.000 1.104 526 L HN 0.043 nan 8.230 nan 0.000 0.500 527 P HA -0.026 nan 4.420 nan 0.000 0.260 527 P C 0.787 178.077 177.300 -0.017 0.000 1.172 527 P CA 1.066 64.139 63.100 -0.044 0.000 0.760 527 P CB 0.552 32.221 31.700 -0.053 0.000 0.773 528 G N 1.856 110.653 108.800 -0.004 0.000 2.267 528 G HA2 -0.289 3.685 3.960 0.023 0.000 0.257 528 G HA3 -0.289 3.685 3.960 0.023 0.000 0.257 528 G C 0.321 175.235 174.900 0.023 0.000 0.998 528 G CA 0.195 45.301 45.100 0.009 0.000 0.620 528 G HN 0.624 nan 8.290 nan 0.000 0.529 529 E N 1.253 121.473 120.200 0.034 0.000 2.344 529 E HA 0.541 4.905 4.350 0.023 0.000 0.270 529 E C 1.396 178.021 176.600 0.042 0.000 1.021 529 E CA 0.894 57.327 56.400 0.055 0.000 0.887 529 E CB 0.691 30.450 29.700 0.099 0.000 0.997 529 E HN 0.587 nan 8.360 nan 0.000 0.429 530 T N 0.694 115.269 114.554 0.035 0.000 3.130 530 T HA 0.328 4.692 4.350 0.023 0.000 0.288 530 T C 0.608 175.318 174.700 0.018 0.000 0.936 530 T CA -0.475 61.641 62.100 0.026 0.000 0.897 530 T CB 0.119 69.001 68.868 0.023 0.000 1.178 530 T HN 0.231 nan 8.240 nan 0.000 0.543 531 R N 2.279 122.786 120.500 0.011 0.000 2.649 531 R HA 0.473 4.827 4.340 0.023 0.000 0.270 531 R C -2.518 173.765 176.300 -0.028 0.000 1.105 531 R CA -1.884 54.212 56.100 -0.007 0.000 1.193 531 R CB 0.144 30.433 30.300 -0.019 0.000 1.120 531 R HN 0.220 nan 8.270 nan 0.000 0.561 532 P HA 0.099 nan 4.420 nan 0.000 0.276 532 P C -1.119 176.117 177.300 -0.107 0.000 1.244 532 P CA -0.131 62.933 63.100 -0.061 0.000 0.801 532 P CB 0.725 32.389 31.700 -0.060 0.000 1.006 533 L N 2.799 123.940 121.223 -0.137 0.000 2.349 533 L HA 0.581 4.935 4.340 0.023 0.000 0.278 533 L C -1.000 175.738 176.870 -0.221 0.000 0.996 533 L CA -0.687 54.033 54.840 -0.200 0.000 0.825 533 L CB 0.575 42.506 42.059 -0.213 0.000 1.243 533 L HN 0.244 nan 8.230 nan 0.000 0.412 534 I N 5.563 126.010 120.570 -0.205 0.000 2.500 534 I HA 0.256 4.440 4.170 0.023 0.000 0.286 534 I C -0.781 175.256 176.117 -0.133 0.000 1.063 534 I CA -0.564 60.604 61.300 -0.221 0.000 1.062 534 I CB 2.065 39.998 38.000 -0.112 0.000 1.223 534 I HN 0.480 nan 8.210 nan 0.000 0.435 535 L N 5.655 126.770 121.223 -0.181 0.000 2.455 535 L HA 0.028 4.382 4.340 0.023 0.000 0.272 535 L C 1.461 178.412 176.870 0.134 0.000 1.174 535 L CA -0.076 54.724 54.840 -0.065 0.000 0.869 535 L CB 0.631 42.633 42.059 -0.096 0.000 1.130 535 L HN 0.861 nan 8.230 nan 0.000 0.474 536 C N 0.260 119.609 119.300 0.082 0.000 2.481 536 C HA 0.166 4.640 4.460 0.023 0.000 0.275 536 C C 0.634 175.759 174.990 0.225 0.000 1.419 536 C CA -0.223 58.878 59.018 0.140 0.000 1.773 536 C CB -1.108 26.631 27.740 -0.003 0.000 1.862 536 C HN 0.834 nan 8.230 nan 0.000 0.530 537 E N -0.912 119.364 120.200 0.127 0.000 2.347 537 E HA 0.587 4.951 4.350 0.023 0.000 0.285 537 E C -1.312 175.256 176.600 -0.054 0.000 0.925 537 E CA -0.404 56.065 56.400 0.115 0.000 0.779 537 E CB 1.899 31.496 29.700 -0.171 0.000 1.233 537 E HN 0.665 nan 8.360 nan 0.000 0.414 538 Y N -0.768 119.549 120.300 0.029 0.000 2.725 538 Y HA 0.665 5.230 4.550 0.025 0.000 0.333 538 Y C -0.540 175.557 175.900 0.328 0.000 1.242 538 Y CA -0.895 57.232 58.100 0.046 0.000 1.059 538 Y CB 0.850 39.177 38.460 -0.223 0.000 1.306 538 Y HN 0.614 nan 8.280 nan 0.000 0.454 539 A N 1.637 124.523 122.820 0.111 0.000 2.416 539 A HA -0.268 4.066 4.320 0.023 0.000 0.293 539 A C -0.309 177.387 177.584 0.185 0.000 1.452 539 A CA 1.075 53.162 52.037 0.084 0.000 0.738 539 A CB -2.567 16.384 19.000 -0.082 0.000 1.123 539 A HN 1.070 nan 8.150 nan 0.000 0.389 540 H N 0.465 119.673 119.070 0.229 0.000 3.184 540 H HA 0.247 4.817 4.556 0.023 0.000 0.274 540 H C 1.074 176.438 175.328 0.060 0.000 0.962 540 H CA 0.881 57.052 56.048 0.205 0.000 1.441 540 H CB 0.461 30.209 29.762 -0.022 0.000 1.518 540 H HN 0.796 nan 8.280 nan 0.000 0.539 541 A N 6.670 129.360 122.820 -0.216 0.000 2.929 541 A HA 0.079 4.413 4.320 0.023 0.000 0.279 541 A C 0.848 178.275 177.584 -0.262 0.000 1.418 541 A CA -0.460 51.445 52.037 -0.221 0.000 1.035 541 A CB -0.577 18.279 19.000 -0.239 0.000 1.047 541 A HN 0.808 nan 8.150 nan 0.000 0.609 542 M N 1.507 120.932 119.600 -0.292 0.000 2.220 542 M HA 0.431 4.925 4.480 0.023 0.000 0.343 542 M C 1.028 177.205 176.300 -0.205 0.000 1.470 542 M CA 1.358 56.521 55.300 -0.227 0.000 1.161 542 M CB -0.270 32.270 32.600 -0.100 0.000 1.737 542 M HN 0.842 nan 8.290 nan 0.000 0.464 543 G N 4.233 112.892 108.800 -0.235 0.000 2.550 543 G HA2 -0.339 3.635 3.960 0.023 0.000 0.277 543 G HA3 -0.339 3.635 3.960 0.023 0.000 0.277 543 G C -0.246 174.170 174.900 -0.806 0.000 1.190 543 G CA 0.056 44.826 45.100 -0.550 0.000 0.971 543 G HN 0.827 nan 8.290 nan 0.000 0.559 544 N N 1.276 119.383 118.700 -0.987 0.000 2.508 544 N HA 0.532 5.286 4.740 0.023 0.000 0.253 544 N C -0.090 175.185 175.510 -0.393 0.000 1.145 544 N CA 0.997 53.611 53.050 -0.727 0.000 0.973 544 N CB 0.580 38.658 38.487 -0.682 0.000 1.305 544 N HN 0.806 nan 8.380 nan 0.000 0.506 545 S N 2.061 117.611 115.700 -0.250 0.000 2.903 545 S HA 0.638 5.122 4.470 0.023 0.000 0.314 545 S C -0.111 174.434 174.600 -0.092 0.000 1.177 545 S CA -0.354 57.753 58.200 -0.154 0.000 0.859 545 S CB 0.267 63.390 63.200 -0.127 0.000 1.265 545 S HN 0.370 nan 8.310 nan 0.000 0.584 546 L N 0.087 121.289 121.223 -0.035 0.000 4.696 546 L HA -0.054 4.300 4.340 0.023 0.000 0.398 546 L C 0.571 177.496 176.870 0.091 0.000 0.971 546 L CA 0.877 55.727 54.840 0.016 0.000 1.427 546 L CB -1.768 40.222 42.059 -0.115 0.000 1.965 546 L HN 0.751 nan 8.230 nan 0.000 0.593 547 G N -0.561 108.257 108.800 0.031 0.000 2.313 547 G HA2 0.460 4.434 3.960 0.023 0.000 0.250 547 G HA3 0.460 4.434 3.960 0.023 0.000 0.250 547 G C 1.242 176.197 174.900 0.092 0.000 1.281 547 G CA 0.290 45.385 45.100 -0.008 0.000 0.917 547 G HN 1.418 nan 8.290 nan 0.000 0.501 548 G N 1.866 110.721 108.800 0.093 0.000 2.141 548 G HA2 -0.312 3.662 3.960 0.023 0.000 0.242 548 G HA3 -0.312 3.662 3.960 0.023 0.000 0.242 548 G C 0.941 176.042 174.900 0.335 0.000 0.982 548 G CA 0.691 45.904 45.100 0.189 0.000 0.662 548 G HN 0.794 nan 8.290 nan 0.000 0.527 549 F N 1.676 121.760 119.950 0.224 0.000 2.161 549 F HA 0.147 4.688 4.527 0.024 0.000 0.300 549 F C 2.609 178.633 175.800 0.373 0.000 1.089 549 F CA 2.408 60.610 58.000 0.336 0.000 1.282 549 F CB -0.361 38.773 39.000 0.223 0.000 1.010 549 F HN 0.343 nan 8.300 nan 0.000 0.485 550 A N -0.382 122.606 122.820 0.279 0.000 2.019 550 A HA -0.209 4.125 4.320 0.023 0.000 0.219 550 A C 2.278 179.890 177.584 0.047 0.000 1.164 550 A CA 1.607 53.741 52.037 0.162 0.000 0.644 550 A CB -0.763 18.337 19.000 0.167 0.000 0.805 550 A HN 0.447 nan 8.150 nan 0.000 0.449 551 K N -1.509 118.910 120.400 0.032 0.000 2.057 551 K HA -0.175 4.159 4.320 0.023 0.000 0.207 551 K C 1.693 178.082 176.600 -0.351 0.000 1.049 551 K CA 1.608 57.827 56.287 -0.115 0.000 0.931 551 K CB -0.323 32.108 32.500 -0.114 0.000 0.714 551 K HN 0.555 nan 8.250 nan 0.000 0.440 552 Y N -0.667 119.374 120.300 -0.432 0.000 2.114 552 Y HA -0.258 4.305 4.550 0.022 0.000 0.284 552 Y C 2.053 176.964 175.900 -1.648 0.000 1.143 552 Y CA 1.736 59.212 58.100 -1.041 0.000 1.135 552 Y CB -0.406 37.454 38.460 -1.000 0.000 0.980 552 Y HN 0.183 nan 8.280 nan 0.000 0.499 553 W N 0.045 120.897 121.300 -0.746 0.000 2.338 553 W HA -0.235 4.440 4.660 0.025 0.000 0.304 553 W C 2.651 178.978 176.519 -0.321 0.000 1.212 553 W CA 1.687 58.730 57.345 -0.503 0.000 1.264 553 W CB -0.645 28.624 29.460 -0.318 0.000 1.142 553 W HN 0.065 nan 8.180 nan 0.000 0.512 554 Q N 0.671 120.377 119.800 -0.157 0.000 2.124 554 Q HA -0.164 4.190 4.340 0.023 0.000 0.202 554 Q C 2.158 178.081 176.000 -0.128 0.000 0.977 554 Q CA 2.007 57.757 55.803 -0.088 0.000 0.850 554 Q CB -0.532 28.171 28.738 -0.059 0.000 0.901 554 Q HN 0.286 nan 8.270 nan 0.000 0.429 555 A N -0.228 122.415 122.820 -0.295 0.000 1.897 555 A HA -0.065 4.269 4.320 0.023 0.000 0.215 555 A C 2.007 179.535 177.584 -0.093 0.000 1.181 555 A CA 0.796 52.691 52.037 -0.237 0.000 0.620 555 A CB -0.955 17.767 19.000 -0.463 0.000 0.821 555 A HN 0.454 nan 8.150 nan 0.000 0.443 556 F N -0.268 119.496 119.950 -0.309 0.000 2.161 556 F HA -0.204 4.338 4.527 0.024 0.000 0.300 556 F C 2.747 178.443 175.800 -0.175 0.000 1.089 556 F CA 1.074 58.863 58.000 -0.351 0.000 1.282 556 F CB -0.145 38.424 39.000 -0.719 0.000 1.010 556 F HN 0.153 nan 8.300 nan 0.000 0.485 557 R N 0.028 120.568 120.500 0.068 0.000 2.119 557 R HA -0.146 4.208 4.340 0.023 0.000 0.222 557 R C 2.110 178.443 176.300 0.056 0.000 1.088 557 R CA 1.001 57.133 56.100 0.054 0.000 0.984 557 R CB -0.385 29.942 30.300 0.046 0.000 0.884 557 R HN 0.363 nan 8.270 nan 0.000 0.447 558 Q N -0.247 119.613 119.800 0.101 0.000 2.230 558 Q HA -0.074 4.280 4.340 0.023 0.000 0.202 558 Q C -0.493 175.550 176.000 0.072 0.000 0.963 558 Q CA 0.987 56.851 55.803 0.101 0.000 0.866 558 Q CB 0.369 29.203 28.738 0.160 0.000 0.931 558 Q HN 0.179 nan 8.270 nan 0.000 0.452 559 Y N -0.087 120.193 120.300 -0.035 0.000 2.369 559 Y HA 0.283 4.846 4.550 0.022 0.000 0.337 559 Y C -1.812 174.062 175.900 -0.042 0.000 0.961 559 Y CA -2.938 55.142 58.100 -0.032 0.000 1.186 559 Y CB 1.509 39.955 38.460 -0.024 0.000 1.139 559 Y HN 0.087 nan 8.280 nan 0.000 0.494 560 P HA -0.168 nan 4.420 nan 0.000 0.215 560 P C 1.190 178.494 177.300 0.007 0.000 1.157 560 P CA 1.836 64.936 63.100 0.001 0.000 0.874 560 P CB 0.326 32.010 31.700 -0.027 0.000 0.790 561 R N -1.186 119.338 120.500 0.040 0.000 2.316 561 R HA 0.068 4.422 4.340 0.023 0.000 0.202 561 R C 0.519 176.807 176.300 -0.020 0.000 1.029 561 R CA 0.188 56.295 56.100 0.012 0.000 1.018 561 R CB -0.543 29.774 30.300 0.028 0.000 0.888 561 R HN 0.237 nan 8.270 nan 0.000 0.471 562 L N 1.918 123.149 121.223 0.014 0.000 2.334 562 L HA 0.114 4.468 4.340 0.023 0.000 0.286 562 L C 0.502 177.244 176.870 -0.212 0.000 1.108 562 L CA 0.183 54.985 54.840 -0.063 0.000 0.875 562 L CB 1.028 43.118 42.059 0.053 0.000 1.246 562 L HN 0.093 nan 8.230 nan 0.000 0.439 563 Q N 2.740 122.338 119.800 -0.337 0.000 2.211 563 Q HA 0.320 4.674 4.340 0.023 0.000 0.231 563 Q C 0.792 176.387 176.000 -0.675 0.000 0.865 563 Q CA 0.055 55.617 55.803 -0.401 0.000 0.997 563 Q CB 1.005 29.595 28.738 -0.246 0.000 1.101 563 Q HN 0.938 nan 8.270 nan 0.000 0.468 564 G N -0.466 107.542 108.800 -1.319 0.000 2.378 564 G HA2 0.147 4.121 3.960 0.023 0.000 0.198 564 G HA3 0.147 4.121 3.960 0.023 0.000 0.198 564 G C -0.404 173.678 174.900 -1.363 0.000 1.223 564 G CA -0.750 43.278 45.100 -1.787 0.000 1.088 564 G HN 0.543 nan 8.290 nan 0.000 0.530 565 G N -2.176 106.121 108.800 -0.839 0.000 2.356 565 G HA2 0.634 4.608 3.960 0.023 0.000 0.294 565 G HA3 0.634 4.608 3.960 0.023 0.000 0.294 565 G C -1.804 173.046 174.900 -0.083 0.000 1.423 565 G CA -0.354 44.489 45.100 -0.429 0.000 0.806 565 G HN 1.122 nan 8.290 nan 0.000 0.527 566 F N 0.945 121.139 119.950 0.407 0.000 2.347 566 F HA 0.492 5.032 4.527 0.022 0.000 0.366 566 F C 0.868 176.952 175.800 0.473 0.000 1.107 566 F CA -0.713 57.539 58.000 0.420 0.000 1.058 566 F CB 1.851 40.998 39.000 0.245 0.000 1.236 566 F HN 0.242 nan 8.300 nan 0.000 0.456 567 V N 3.383 123.573 119.914 0.459 0.000 2.901 567 V HA -0.175 3.959 4.120 0.023 0.000 0.307 567 V C -0.147 176.079 176.094 0.221 0.000 1.084 567 V CA -0.131 62.219 62.300 0.084 0.000 1.184 567 V CB 0.665 32.551 31.823 0.104 0.000 0.941 567 V HN 0.763 nan 8.190 nan 0.000 0.493 568 W N 6.520 127.886 121.300 0.109 0.000 2.282 568 W HA 0.454 5.127 4.660 0.023 0.000 0.322 568 W C -0.836 175.658 176.519 -0.040 0.000 1.011 568 W CA -0.665 56.769 57.345 0.149 0.000 1.392 568 W CB 1.214 30.928 29.460 0.424 0.000 1.215 568 W HN 0.933 nan 8.180 nan 0.000 0.394 569 D N 2.385 122.432 120.400 -0.589 0.000 2.825 569 D HA 0.091 4.745 4.640 0.023 0.000 0.327 569 D C 0.676 176.716 176.300 -0.433 0.000 1.277 569 D CA -0.575 52.956 54.000 -0.781 0.000 0.950 569 D CB 0.187 39.963 40.800 -1.707 0.000 1.438 569 D HN 0.385 nan 8.370 nan 0.000 0.526 570 W N 0.346 121.295 121.300 -0.586 0.000 2.380 570 W HA 0.114 4.788 4.660 0.024 0.000 0.317 570 W C -0.080 176.183 176.519 -0.427 0.000 1.196 570 W CA 1.148 58.211 57.345 -0.471 0.000 1.307 570 W CB 0.291 29.506 29.460 -0.409 0.000 1.157 570 W HN 0.161 nan 8.180 nan 0.000 0.483 571 V N 2.777 122.435 119.914 -0.427 0.000 2.588 571 V HA 0.226 4.360 4.120 0.023 0.000 0.304 571 V C -0.847 175.022 176.094 -0.374 0.000 1.042 571 V CA -0.812 61.185 62.300 -0.505 0.000 0.877 571 V CB 1.387 33.012 31.823 -0.330 0.000 0.996 571 V HN -0.083 nan 8.190 nan 0.000 0.425 572 D N 4.308 124.493 120.400 -0.359 0.000 2.533 572 D HA 0.044 4.698 4.640 0.023 0.000 0.236 572 D C 0.397 176.529 176.300 -0.280 0.000 1.137 572 D CA 0.741 54.600 54.000 -0.236 0.000 0.867 572 D CB 0.838 41.606 40.800 -0.053 0.000 1.170 572 D HN 0.621 nan 8.370 nan 0.000 0.474 573 Q N 1.180 120.743 119.800 -0.394 0.000 3.170 573 Q HA 0.107 4.461 4.340 0.023 0.000 0.346 573 Q C -0.044 175.913 176.000 -0.071 0.000 1.333 573 Q CA -0.298 55.032 55.803 -0.789 0.000 0.958 573 Q CB 0.051 28.468 28.738 -0.534 0.000 1.600 573 Q HN 0.372 nan 8.270 nan 0.000 0.482 574 S N -0.378 115.394 115.700 0.120 0.000 2.616 574 S HA 0.612 5.096 4.470 0.023 0.000 0.277 574 S C -0.112 174.648 174.600 0.266 0.000 1.234 574 S CA -0.762 57.615 58.200 0.294 0.000 1.028 574 S CB 1.449 64.805 63.200 0.260 0.000 0.988 574 S HN 0.323 nan 8.310 nan 0.000 0.522 575 L N 1.623 122.916 121.223 0.117 0.000 2.333 575 L HA 0.533 4.887 4.340 0.023 0.000 0.269 575 L C -0.438 176.332 176.870 -0.166 0.000 1.010 575 L CA -1.258 53.523 54.840 -0.099 0.000 0.818 575 L CB 1.483 43.345 42.059 -0.328 0.000 1.306 575 L HN 0.563 nan 8.230 nan 0.000 0.430 576 I N 2.218 122.628 120.570 -0.266 0.000 2.441 576 I HA 0.254 4.438 4.170 0.023 0.000 0.287 576 I C 0.119 175.824 176.117 -0.688 0.000 1.049 576 I CA -0.006 61.008 61.300 -0.478 0.000 1.381 576 I CB 0.974 38.699 38.000 -0.459 0.000 1.409 576 I HN 0.554 nan 8.210 nan 0.000 0.523 577 K N 5.392 125.112 120.400 -1.133 0.000 2.350 577 K HA 0.565 4.899 4.320 0.023 0.000 0.241 577 K C -1.542 174.247 176.600 -1.351 0.000 0.994 577 K CA -0.694 54.834 56.287 -1.265 0.000 0.839 577 K CB 2.353 33.890 32.500 -1.604 0.000 1.244 577 K HN 0.261 nan 8.250 nan 0.000 0.443 578 Y N 0.954 121.011 120.300 -0.404 0.000 2.376 578 Y HA 0.117 4.681 4.550 0.023 0.000 0.340 578 Y C 0.236 176.225 175.900 0.148 0.000 0.965 578 Y CA -1.008 57.036 58.100 -0.093 0.000 1.078 578 Y CB 1.359 39.776 38.460 -0.071 0.000 1.193 578 Y HN 0.705 nan 8.280 nan 0.000 0.452 579 D N 0.451 121.103 120.400 0.420 0.000 2.440 579 D HA 0.016 4.670 4.640 0.023 0.000 0.269 579 D C 0.809 177.215 176.300 0.177 0.000 1.249 579 D CA -0.198 53.987 54.000 0.309 0.000 1.055 579 D CB 0.450 41.368 40.800 0.198 0.000 1.104 579 D HN 0.686 nan 8.370 nan 0.000 0.561 580 E N -0.391 119.874 120.200 0.107 0.000 2.070 580 E HA -0.235 4.129 4.350 0.023 0.000 0.197 580 E C 1.177 177.812 176.600 0.057 0.000 1.004 580 E CA 1.203 57.642 56.400 0.064 0.000 0.805 580 E CB -0.566 29.155 29.700 0.035 0.000 0.744 580 E HN 0.380 nan 8.360 nan 0.000 0.451 581 N N 0.345 119.082 118.700 0.063 0.000 2.571 581 N HA 0.004 4.758 4.740 0.023 0.000 0.189 581 N C 1.008 176.557 175.510 0.064 0.000 1.154 581 N CA 1.037 54.118 53.050 0.052 0.000 0.907 581 N CB 0.540 39.056 38.487 0.049 0.000 0.977 581 N HN 0.453 nan 8.380 nan 0.000 0.449 582 G N 0.040 108.898 108.800 0.097 0.000 2.143 582 G HA2 -0.266 3.708 3.960 0.023 0.000 0.249 582 G HA3 -0.266 3.708 3.960 0.023 0.000 0.249 582 G C -0.166 174.858 174.900 0.207 0.000 0.981 582 G CA -0.331 44.828 45.100 0.097 0.000 0.665 582 G HN 0.329 nan 8.290 nan 0.000 0.528 583 N N 1.455 120.289 118.700 0.224 0.000 2.498 583 N HA 0.461 5.215 4.740 0.023 0.000 0.287 583 N C -2.609 173.068 175.510 0.278 0.000 1.097 583 N CA -1.087 52.101 53.050 0.230 0.000 0.973 583 N CB 1.903 40.483 38.487 0.154 0.000 1.153 583 N HN 0.131 nan 8.380 nan 0.000 0.472 584 P HA 0.300 nan 4.420 nan 0.000 0.281 584 P C -0.613 176.669 177.300 -0.030 0.000 1.249 584 P CA -0.280 62.725 63.100 -0.158 0.000 0.810 584 P CB 0.713 32.309 31.700 -0.173 0.000 1.008 585 W N -0.934 120.139 121.300 -0.378 0.000 3.137 585 W HA 0.428 5.102 4.660 0.023 0.000 0.324 585 W C -1.542 174.806 176.519 -0.285 0.000 1.253 585 W CA -1.031 56.100 57.345 -0.356 0.000 1.183 585 W CB 0.315 29.337 29.460 -0.730 0.000 1.424 585 W HN 0.095 nan 8.180 nan 0.000 0.566 586 S N 1.576 117.370 115.700 0.156 0.000 2.439 586 S HA 0.591 5.075 4.470 0.023 0.000 0.282 586 S C 0.169 174.961 174.600 0.320 0.000 1.170 586 S CA -0.258 58.024 58.200 0.138 0.000 1.054 586 S CB 0.767 64.101 63.200 0.224 0.000 0.956 586 S HN 0.606 nan 8.310 nan 0.000 0.490 587 A N 3.231 126.088 122.820 0.061 0.000 2.320 587 A HA 0.872 5.206 4.320 0.023 0.000 0.334 587 A C -0.621 177.250 177.584 0.479 0.000 1.147 587 A CA -0.713 51.412 52.037 0.146 0.000 0.820 587 A CB 0.577 19.376 19.000 -0.335 0.000 1.218 587 A HN 0.848 nan 8.150 nan 0.000 0.482 588 Y N -0.608 120.031 120.300 0.564 0.000 2.944 588 Y HA 0.772 5.336 4.550 0.024 0.000 0.312 588 Y C 0.709 177.004 175.900 0.658 0.000 1.417 588 Y CA -1.266 57.175 58.100 0.568 0.000 1.105 588 Y CB -0.065 38.564 38.460 0.282 0.000 1.364 588 Y HN 0.878 nan 8.280 nan 0.000 0.540 589 G N -0.216 109.015 108.800 0.718 0.000 2.265 589 G HA2 0.358 4.332 3.960 0.023 0.000 0.240 589 G HA3 0.358 4.332 3.960 0.023 0.000 0.240 589 G C 0.948 176.162 174.900 0.524 0.000 1.270 589 G CA 0.424 45.853 45.100 0.548 0.000 0.901 589 G HN 1.959 nan 8.290 nan 0.000 0.507 590 G N 2.141 111.211 108.800 0.451 0.000 2.241 590 G HA2 -0.278 3.696 3.960 0.023 0.000 0.244 590 G HA3 -0.278 3.696 3.960 0.023 0.000 0.244 590 G C 0.920 176.008 174.900 0.314 0.000 0.998 590 G CA 0.672 45.973 45.100 0.335 0.000 0.621 590 G HN 0.642 nan 8.290 nan 0.000 0.519 591 D N -0.227 120.390 120.400 0.362 0.000 2.371 591 D HA 0.139 4.793 4.640 0.023 0.000 0.221 591 D C 1.250 177.454 176.300 -0.160 0.000 0.986 591 D CA 0.506 54.572 54.000 0.110 0.000 0.899 591 D CB -0.188 40.636 40.800 0.039 0.000 0.902 591 D HN 0.473 nan 8.370 nan 0.000 0.530 592 F N -0.932 119.132 119.950 0.190 0.000 2.668 592 F HA 0.307 4.848 4.527 0.024 0.000 0.301 592 F C 1.788 177.668 175.800 0.133 0.000 1.106 592 F CA -0.179 57.897 58.000 0.125 0.000 1.289 592 F CB 0.770 39.845 39.000 0.125 0.000 1.006 592 F HN -0.055 nan 8.300 nan 0.000 0.535 593 G N 0.287 109.231 108.800 0.239 0.000 2.179 593 G HA2 -0.282 3.692 3.960 0.023 0.000 0.260 593 G HA3 -0.282 3.692 3.960 0.023 0.000 0.260 593 G C -0.152 174.878 174.900 0.217 0.000 0.977 593 G CA 0.191 45.405 45.100 0.191 0.000 0.641 593 G HN 0.405 nan 8.290 nan 0.000 0.533 594 D N 0.501 121.076 120.400 0.291 0.000 2.425 594 D HA 0.501 5.155 4.640 0.023 0.000 0.247 594 D C 0.135 176.545 176.300 0.183 0.000 1.147 594 D CA 0.939 55.095 54.000 0.260 0.000 0.879 594 D CB 1.611 42.620 40.800 0.349 0.000 1.179 594 D HN 0.402 nan 8.370 nan 0.000 0.456 595 T N 1.031 115.664 114.554 0.132 0.000 3.047 595 T HA 0.408 4.772 4.350 0.023 0.000 0.340 595 T C -2.808 171.924 174.700 0.053 0.000 1.421 595 T CA -1.121 61.029 62.100 0.083 0.000 1.090 595 T CB 1.222 70.140 68.868 0.084 0.000 1.292 595 T HN 0.281 nan 8.240 nan 0.000 0.480 596 P HA 0.518 nan 4.420 nan 0.000 0.274 596 P C -1.004 176.274 177.300 -0.037 0.000 1.256 596 P CA -0.353 62.739 63.100 -0.014 0.000 0.795 596 P CB 0.368 32.037 31.700 -0.051 0.000 1.038 597 N N -2.039 116.627 118.700 -0.057 0.000 2.732 597 N HA 0.265 5.019 4.740 0.023 0.000 0.259 597 N C -1.055 174.353 175.510 -0.170 0.000 1.402 597 N CA -0.776 52.204 53.050 -0.116 0.000 0.829 597 N CB 0.748 39.261 38.487 0.044 0.000 1.495 597 N HN 0.078 nan 8.380 nan 0.000 0.511 598 D N -0.114 120.085 120.400 -0.336 0.000 2.615 598 D HA 0.118 4.772 4.640 0.023 0.000 0.236 598 D C 0.498 176.902 176.300 0.173 0.000 1.233 598 D CA -0.128 53.758 54.000 -0.189 0.000 0.829 598 D CB 0.074 40.648 40.800 -0.376 0.000 1.024 598 D HN 0.704 nan 8.370 nan 0.000 0.490 599 R N 0.831 121.485 120.500 0.257 0.000 3.682 599 R HA -0.333 4.021 4.340 0.023 0.000 0.519 599 R C 1.195 177.626 176.300 0.218 0.000 0.241 599 R CA 1.555 57.871 56.100 0.361 0.000 1.619 599 R CB -1.632 28.797 30.300 0.215 0.000 0.923 599 R HN 0.156 nan 8.270 nan 0.000 0.598 600 Q N 1.260 120.890 119.800 -0.283 0.000 2.515 600 Q HA -0.071 4.283 4.340 0.023 0.000 0.212 600 Q C 1.682 177.589 176.000 -0.155 0.000 0.970 600 Q CA 1.535 57.006 55.803 -0.553 0.000 0.941 600 Q CB -0.125 28.091 28.738 -0.870 0.000 0.998 600 Q HN 0.602 nan 8.270 nan 0.000 0.518 601 F N 2.298 122.215 119.950 -0.056 0.000 2.583 601 F HA -0.120 4.421 4.527 0.023 0.000 0.297 601 F C 1.755 177.556 175.800 0.002 0.000 1.131 601 F CA 0.836 58.866 58.000 0.050 0.000 1.467 601 F CB 0.003 39.069 39.000 0.110 0.000 1.097 601 F HN 0.400 nan 8.300 nan 0.000 0.586 602 C N -1.103 117.958 119.300 -0.398 0.000 2.626 602 C HA 0.301 4.775 4.460 0.023 0.000 0.266 602 C C 0.968 175.722 174.990 -0.393 0.000 1.317 602 C CA -0.539 58.036 59.018 -0.738 0.000 1.716 602 C CB -1.763 25.016 27.740 -1.602 0.000 1.819 602 C HN 0.233 nan 8.230 nan 0.000 0.578 603 M N 2.697 122.127 119.600 -0.283 0.000 2.208 603 M HA 0.277 4.771 4.480 0.023 0.000 0.352 603 M C -0.430 175.737 176.300 -0.220 0.000 1.137 603 M CA 0.346 55.530 55.300 -0.193 0.000 1.091 603 M CB -0.218 32.335 32.600 -0.078 0.000 1.309 603 M HN 0.360 nan 8.290 nan 0.000 0.408 604 N N 0.806 119.343 118.700 -0.272 0.000 2.299 604 N HA 0.211 4.965 4.740 0.023 0.000 0.246 604 N C 0.386 175.649 175.510 -0.411 0.000 1.254 604 N CA -0.561 52.273 53.050 -0.360 0.000 0.879 604 N CB 1.205 39.495 38.487 -0.328 0.000 1.214 604 N HN 0.636 nan 8.380 nan 0.000 0.510 605 G N -0.056 108.489 108.800 -0.425 0.000 2.477 605 G HA2 0.368 4.342 3.960 0.023 0.000 0.304 605 G HA3 0.368 4.342 3.960 0.023 0.000 0.304 605 G C 0.663 175.093 174.900 -0.784 0.000 1.175 605 G CA -0.541 44.204 45.100 -0.591 0.000 0.907 605 G HN 0.102 nan 8.290 nan 0.000 0.509 606 L N -0.135 120.626 121.223 -0.770 0.000 2.341 606 L HA 0.133 4.487 4.340 0.023 0.000 0.214 606 L C 0.976 177.208 176.870 -1.064 0.000 1.115 606 L CA 0.348 54.746 54.840 -0.737 0.000 0.820 606 L CB -0.173 41.595 42.059 -0.486 0.000 0.944 606 L HN 0.400 nan 8.230 nan 0.000 0.452 607 V N -4.773 114.392 119.914 -1.248 0.000 2.960 607 V HA 0.478 4.612 4.120 0.023 0.000 0.315 607 V C -0.197 175.373 176.094 -0.874 0.000 1.087 607 V CA -1.253 60.425 62.300 -1.036 0.000 0.982 607 V CB 1.609 32.868 31.823 -0.939 0.000 1.039 607 V HN -0.136 nan 8.190 nan 0.000 0.437 608 F N 1.455 121.233 119.950 -0.288 0.000 2.435 608 F HA 0.585 5.126 4.527 0.024 0.000 0.316 608 F C 1.973 177.680 175.800 -0.155 0.000 1.220 608 F CA 0.463 58.426 58.000 -0.061 0.000 1.241 608 F CB 0.840 39.856 39.000 0.028 0.000 1.234 608 F HN 0.764 nan 8.300 nan 0.000 0.569 609 A N 0.591 123.502 122.820 0.150 0.000 1.986 609 A HA -0.231 4.103 4.320 0.023 0.000 0.220 609 A C 1.617 179.177 177.584 -0.040 0.000 1.171 609 A CA 1.992 54.061 52.037 0.053 0.000 0.640 609 A CB -0.968 18.099 19.000 0.112 0.000 0.811 609 A HN 0.788 nan 8.150 nan 0.000 0.451 610 D N -2.994 117.401 120.400 -0.008 0.000 2.319 610 D HA 0.141 4.795 4.640 0.023 0.000 0.230 610 D C 0.641 176.927 176.300 -0.024 0.000 1.094 610 D CA 0.006 53.973 54.000 -0.054 0.000 0.856 610 D CB -0.061 40.709 40.800 -0.050 0.000 0.915 610 D HN 0.198 nan 8.370 nan 0.000 0.517 611 R N -1.855 118.627 120.500 -0.031 0.000 3.728 611 R HA -0.125 4.229 4.340 0.023 0.000 0.478 611 R C -0.155 176.136 176.300 -0.015 0.000 0.932 611 R CA 1.115 57.186 56.100 -0.048 0.000 1.317 611 R CB -3.210 27.101 30.300 0.019 0.000 1.987 611 R HN 0.260 nan 8.270 nan 0.000 0.509 612 T N 2.673 117.267 114.554 0.066 0.000 2.901 612 T HA 0.354 4.718 4.350 0.023 0.000 0.301 612 T C -2.309 172.487 174.700 0.161 0.000 1.012 612 T CA -0.675 61.498 62.100 0.123 0.000 1.135 612 T CB 1.049 70.008 68.868 0.151 0.000 0.936 612 T HN -0.084 nan 8.240 nan 0.000 0.539 613 P HA 0.236 nan 4.420 nan 0.000 0.277 613 P C -0.193 177.131 177.300 0.039 0.000 1.240 613 P CA -0.380 62.698 63.100 -0.037 0.000 0.798 613 P CB 0.499 32.184 31.700 -0.026 0.000 0.979 614 H N 2.201 121.073 119.070 -0.331 0.000 2.508 614 H HA 0.124 4.694 4.556 0.024 0.000 0.358 614 H C -1.277 173.937 175.328 -0.189 0.000 1.212 614 H CA -1.891 53.929 56.048 -0.380 0.000 1.356 614 H CB 0.440 29.943 29.762 -0.431 0.000 1.525 614 H HN 0.335 nan 8.280 nan 0.000 0.578 615 P HA -0.163 nan 4.420 nan 0.000 0.218 615 P C 1.151 178.450 177.300 -0.001 0.000 1.148 615 P CA 1.430 64.520 63.100 -0.018 0.000 0.822 615 P CB 0.007 31.696 31.700 -0.018 0.000 0.784 616 A N -0.513 122.310 122.820 0.005 0.000 2.024 616 A HA -0.192 4.142 4.320 0.023 0.000 0.220 616 A C 2.068 179.600 177.584 -0.086 0.000 1.164 616 A CA 1.280 53.285 52.037 -0.054 0.000 0.643 616 A CB -1.599 17.347 19.000 -0.090 0.000 0.806 616 A HN 0.172 nan 8.150 nan 0.000 0.451 617 L N -0.593 120.592 121.223 -0.063 0.000 2.131 617 L HA -0.111 4.243 4.340 0.023 0.000 0.210 617 L C 2.514 179.420 176.870 0.059 0.000 1.092 617 L CA 2.645 57.479 54.840 -0.010 0.000 0.759 617 L CB -0.861 41.190 42.059 -0.013 0.000 0.903 617 L HN 0.393 nan 8.230 nan 0.000 0.435 618 T N -1.877 112.717 114.554 0.067 0.000 2.951 618 T HA -0.165 4.199 4.350 0.023 0.000 0.268 618 T C 1.788 176.591 174.700 0.171 0.000 1.073 618 T CA 1.304 63.498 62.100 0.157 0.000 1.134 618 T CB -0.090 68.854 68.868 0.128 0.000 0.884 618 T HN 0.462 nan 8.240 nan 0.000 0.479 619 E N 0.843 121.088 120.200 0.074 0.000 2.072 619 E HA 0.092 4.456 4.350 0.023 0.000 0.191 619 E C 2.194 178.812 176.600 0.031 0.000 0.985 619 E CA 1.299 57.753 56.400 0.091 0.000 0.801 619 E CB -0.618 29.109 29.700 0.045 0.000 0.750 619 E HN 0.540 nan 8.360 nan 0.000 0.452 620 A N 1.049 123.773 122.820 -0.161 0.000 1.877 620 A HA -0.249 4.085 4.320 0.023 0.000 0.216 620 A C 2.168 179.632 177.584 -0.199 0.000 1.186 620 A CA 1.984 53.852 52.037 -0.282 0.000 0.620 620 A CB -0.661 18.158 19.000 -0.302 0.000 0.822 620 A HN 0.268 nan 8.150 nan 0.000 0.443 621 K N -1.311 119.055 120.400 -0.057 0.000 2.044 621 K HA -0.308 4.026 4.320 0.023 0.000 0.210 621 K C 2.086 178.598 176.600 -0.147 0.000 1.049 621 K CA 2.156 58.431 56.287 -0.021 0.000 0.927 621 K CB -0.350 32.299 32.500 0.248 0.000 0.713 621 K HN 0.663 nan 8.250 nan 0.000 0.443 622 H N 0.237 119.130 119.070 -0.295 0.000 2.357 622 H HA -0.013 4.557 4.556 0.024 0.000 0.301 622 H C 1.920 176.982 175.328 -0.442 0.000 1.082 622 H CA 1.736 57.415 56.048 -0.616 0.000 1.342 622 H CB 0.105 29.553 29.762 -0.523 0.000 1.389 622 H HN 0.243 nan 8.280 nan 0.000 0.511 623 Q N 0.144 119.715 119.800 -0.380 0.000 2.297 623 Q HA -0.070 4.284 4.340 0.023 0.000 0.204 623 Q C 1.353 176.834 176.000 -0.865 0.000 0.962 623 Q CA 1.017 56.508 55.803 -0.520 0.000 0.879 623 Q CB 0.133 28.712 28.738 -0.265 0.000 0.947 623 Q HN 0.703 nan 8.270 nan 0.000 0.462 624 Q N 0.159 119.416 119.800 -0.905 0.000 2.247 624 Q HA 0.090 4.444 4.340 0.023 0.000 0.205 624 Q C -0.125 175.344 176.000 -0.886 0.000 0.896 624 Q CA -0.219 54.895 55.803 -1.149 0.000 0.950 624 Q CB 0.374 28.462 28.738 -1.083 0.000 1.054 624 Q HN 0.350 nan 8.270 nan 0.000 0.482 625 Q N -0.518 118.913 119.800 -0.615 0.000 2.428 625 Q HA -0.042 4.312 4.340 0.023 0.000 0.276 625 Q C -0.150 175.530 176.000 -0.533 0.000 1.059 625 Q CA 0.439 56.021 55.803 -0.368 0.000 0.923 625 Q CB 0.469 29.059 28.738 -0.246 0.000 1.283 625 Q HN 0.307 nan 8.270 nan 0.000 0.447 626 F N 0.323 120.064 119.950 -0.349 0.000 2.727 626 F HA 0.240 4.780 4.527 0.023 0.000 0.302 626 F C -0.214 175.041 175.800 -0.907 0.000 1.097 626 F CA -0.008 57.547 58.000 -0.741 0.000 1.330 626 F CB 0.544 38.785 39.000 -1.265 0.000 1.084 626 F HN 0.291 nan 8.300 nan 0.000 0.578 627 F N 0.334 120.201 119.950 -0.140 0.000 2.529 627 F HA 0.483 5.025 4.527 0.024 0.000 0.320 627 F C -0.111 175.359 175.800 -0.549 0.000 1.118 627 F CA -1.092 56.726 58.000 -0.304 0.000 0.915 627 F CB 1.355 40.200 39.000 -0.258 0.000 1.161 627 F HN -0.339 nan 8.300 nan 0.000 0.445 628 Q N 3.161 122.717 119.800 -0.407 0.000 2.266 628 Q HA 0.592 4.946 4.340 0.023 0.000 0.261 628 Q C -1.278 174.451 176.000 -0.451 0.000 0.985 628 Q CA -0.564 55.040 55.803 -0.332 0.000 0.873 628 Q CB 2.667 31.323 28.738 -0.138 0.000 1.306 628 Q HN 0.549 nan 8.270 nan 0.000 0.447 629 F N 0.008 120.089 119.950 0.218 0.000 2.603 629 F HA 0.615 5.157 4.527 0.024 0.000 0.317 629 F C 0.295 176.324 175.800 0.381 0.000 1.066 629 F CA -0.863 57.332 58.000 0.325 0.000 0.941 629 F CB 2.142 41.462 39.000 0.533 0.000 1.291 629 F HN 0.169 nan 8.300 nan 0.000 0.472 630 R N 1.067 121.858 120.500 0.485 0.000 2.771 630 R HA 0.743 5.097 4.340 0.023 0.000 0.274 630 R C -2.085 174.239 176.300 0.039 0.000 0.987 630 R CA -1.219 55.079 56.100 0.331 0.000 0.908 630 R CB 2.947 33.351 30.300 0.172 0.000 1.213 630 R HN 0.549 nan 8.270 nan 0.000 0.468 631 L N 0.403 121.511 121.223 -0.192 0.000 2.365 631 L HA 0.588 4.942 4.340 0.023 0.000 0.273 631 L C -1.157 175.548 176.870 -0.275 0.000 1.000 631 L CA 0.031 54.562 54.840 -0.515 0.000 0.819 631 L CB 2.214 43.553 42.059 -1.200 0.000 1.284 631 L HN 0.553 nan 8.230 nan 0.000 0.418 632 S N 3.737 119.301 115.700 -0.227 0.000 2.721 632 S HA 0.660 5.144 4.470 0.023 0.000 0.264 632 S C 0.309 174.816 174.600 -0.154 0.000 1.161 632 S CA 0.242 58.353 58.200 -0.148 0.000 1.113 632 S CB 0.207 63.355 63.200 -0.087 0.000 1.079 632 S HN 1.628 nan 8.310 nan 0.000 0.479 633 G N 4.586 113.293 108.800 -0.155 0.000 2.620 633 G HA2 -0.360 3.614 3.960 0.023 0.000 0.315 633 G HA3 -0.360 3.614 3.960 0.023 0.000 0.315 633 G C 0.541 175.332 174.900 -0.181 0.000 1.179 633 G CA 0.984 45.997 45.100 -0.144 0.000 0.971 633 G HN 0.722 nan 8.290 nan 0.000 0.544 634 Q N 1.339 121.040 119.800 -0.165 0.000 2.280 634 Q HA 0.360 4.714 4.340 0.023 0.000 0.201 634 Q C 0.546 176.417 176.000 -0.216 0.000 0.890 634 Q CA 0.912 56.595 55.803 -0.200 0.000 0.947 634 Q CB 0.339 28.979 28.738 -0.163 0.000 1.081 634 Q HN 0.578 nan 8.270 nan 0.000 0.502 635 T N 0.325 114.765 114.554 -0.190 0.000 2.767 635 T HA 0.506 4.870 4.350 0.023 0.000 0.288 635 T C -0.173 174.407 174.700 -0.201 0.000 0.963 635 T CA -0.363 61.637 62.100 -0.166 0.000 1.019 635 T CB 0.939 69.743 68.868 -0.107 0.000 0.923 635 T HN 0.055 nan 8.240 nan 0.000 0.468 636 I N 2.818 123.287 120.570 -0.168 0.000 2.354 636 I HA 0.306 4.490 4.170 0.023 0.000 0.292 636 I C 0.422 176.545 176.117 0.009 0.000 0.989 636 I CA -0.546 60.678 61.300 -0.126 0.000 1.188 636 I CB 1.396 39.346 38.000 -0.083 0.000 1.342 636 I HN 0.591 nan 8.210 nan 0.000 0.457 637 E N 6.834 127.073 120.200 0.064 0.000 2.133 637 E HA 0.451 4.815 4.350 0.023 0.000 0.274 637 E C -1.569 175.130 176.600 0.166 0.000 0.930 637 E CA -0.607 55.849 56.400 0.094 0.000 0.770 637 E CB 1.604 31.341 29.700 0.062 0.000 1.104 637 E HN 0.344 nan 8.360 nan 0.000 0.403 638 V N 4.136 124.134 119.914 0.140 0.000 2.398 638 V HA 0.344 4.478 4.120 0.023 0.000 0.286 638 V C -0.001 176.124 176.094 0.053 0.000 1.026 638 V CA -0.508 61.843 62.300 0.084 0.000 0.868 638 V CB 1.682 33.585 31.823 0.134 0.000 0.982 638 V HN 0.712 nan 8.190 nan 0.000 0.443 639 T N 3.174 117.722 114.554 -0.010 0.000 2.841 639 T HA 0.360 4.724 4.350 0.023 0.000 0.283 639 T C -0.147 174.556 174.700 0.006 0.000 1.000 639 T CA -0.294 61.811 62.100 0.009 0.000 0.977 639 T CB 1.664 70.513 68.868 -0.031 0.000 0.979 639 T HN 0.668 nan 8.240 nan 0.000 0.446 640 S N 1.471 117.174 115.700 0.004 0.000 2.525 640 S HA 0.234 4.718 4.470 0.023 0.000 0.278 640 S C 0.761 175.212 174.600 -0.248 0.000 1.234 640 S CA -0.526 57.582 58.200 -0.153 0.000 1.058 640 S CB 0.607 63.793 63.200 -0.022 0.000 0.983 640 S HN 0.728 nan 8.310 nan 0.000 0.495 641 E N 2.886 122.827 120.200 -0.431 0.000 2.476 641 E HA 0.094 4.458 4.350 0.023 0.000 0.196 641 E C -0.732 175.673 176.600 -0.325 0.000 1.029 641 E CA -0.128 56.071 56.400 -0.334 0.000 0.896 641 E CB 0.287 29.777 29.700 -0.350 0.000 1.012 641 E HN 0.697 nan 8.360 nan 0.000 0.475 642 Y N 0.524 120.699 120.300 -0.208 0.000 2.497 642 Y HA -0.054 4.510 4.550 0.023 0.000 0.334 642 Y C 1.459 177.185 175.900 -0.291 0.000 1.199 642 Y CA 0.107 58.081 58.100 -0.210 0.000 1.425 642 Y CB 0.696 39.016 38.460 -0.233 0.000 1.291 642 Y HN -0.005 nan 8.280 nan 0.000 0.562 643 L N 1.530 122.567 121.223 -0.310 0.000 2.408 643 L HA 0.044 4.398 4.340 0.023 0.000 0.215 643 L C 0.739 177.182 176.870 -0.712 0.000 1.081 643 L CA 0.653 55.075 54.840 -0.695 0.000 0.840 643 L CB 0.008 41.289 42.059 -1.296 0.000 1.002 643 L HN 0.664 nan 8.230 nan 0.000 0.468 644 F N -0.494 119.467 119.950 0.017 0.000 2.581 644 F HA 0.199 4.740 4.527 0.022 0.000 0.278 644 F C 1.299 177.086 175.800 -0.021 0.000 1.000 644 F CA -0.807 57.181 58.000 -0.019 0.000 1.230 644 F CB 0.307 39.277 39.000 -0.049 0.000 1.008 644 F HN -0.157 nan 8.300 nan 0.000 0.695 645 R N 0.799 121.346 120.500 0.078 0.000 2.500 645 R HA 0.341 4.695 4.340 0.023 0.000 0.277 645 R C -0.574 175.719 176.300 -0.011 0.000 1.026 645 R CA -0.534 55.564 56.100 -0.003 0.000 1.058 645 R CB 0.610 30.797 30.300 -0.188 0.000 1.078 645 R HN 0.137 nan 8.270 nan 0.000 0.509 646 H N 0.617 119.683 119.070 -0.006 0.000 2.547 646 H HA 0.043 4.613 4.556 0.023 0.000 0.362 646 H C 0.163 175.522 175.328 0.051 0.000 1.181 646 H CA 0.224 56.300 56.048 0.046 0.000 1.376 646 H CB 1.540 31.333 29.762 0.051 0.000 1.488 646 H HN 0.773 nan 8.280 nan 0.000 0.583 647 S N 1.168 117.015 115.700 0.244 0.000 4.120 647 S HA -0.053 4.431 4.470 0.023 0.000 0.215 647 S C 0.341 175.051 174.600 0.184 0.000 1.347 647 S CA -0.679 57.683 58.200 0.269 0.000 0.889 647 S CB -0.733 62.683 63.200 0.359 0.000 1.585 647 S HN 0.568 nan 8.310 nan 0.000 0.447 648 D N 0.664 121.144 120.400 0.134 0.000 2.336 648 D HA 0.056 4.711 4.640 0.023 0.000 0.228 648 D C 0.297 176.641 176.300 0.073 0.000 1.120 648 D CA -0.255 53.802 54.000 0.095 0.000 0.839 648 D CB -0.343 40.497 40.800 0.066 0.000 0.932 648 D HN 0.493 nan 8.370 nan 0.000 0.509 649 N N 0.100 118.855 118.700 0.091 0.000 2.620 649 N HA 0.142 4.896 4.740 0.023 0.000 0.277 649 N C -1.555 174.020 175.510 0.109 0.000 1.726 649 N CA -0.172 52.926 53.050 0.080 0.000 0.840 649 N CB 0.317 38.842 38.487 0.063 0.000 1.379 649 N HN -0.051 nan 8.380 nan 0.000 0.506 650 E N 0.087 120.345 120.200 0.098 0.000 2.352 650 E HA 0.492 4.856 4.350 0.023 0.000 0.280 650 E C -1.281 175.353 176.600 0.057 0.000 0.930 650 E CA -0.707 55.743 56.400 0.084 0.000 0.765 650 E CB 2.188 31.918 29.700 0.051 0.000 1.219 650 E HN 0.285 nan 8.360 nan 0.000 0.434 651 L N 0.609 121.869 121.223 0.062 0.000 2.401 651 L HA 0.703 5.057 4.340 0.023 0.000 0.266 651 L C -1.501 175.427 176.870 0.098 0.000 0.991 651 L CA -1.205 53.679 54.840 0.074 0.000 0.818 651 L CB 1.479 43.584 42.059 0.078 0.000 1.321 651 L HN 0.586 nan 8.230 nan 0.000 0.413 652 L N 3.785 125.080 121.223 0.120 0.000 2.264 652 L HA 0.444 4.798 4.340 0.023 0.000 0.289 652 L C -0.375 176.617 176.870 0.204 0.000 1.044 652 L CA 0.012 54.957 54.840 0.175 0.000 0.807 652 L CB 0.542 42.721 42.059 0.200 0.000 1.192 652 L HN 0.684 nan 8.230 nan 0.000 0.425 653 H N 6.211 125.352 119.070 0.118 0.000 2.458 653 H HA 0.372 4.942 4.556 0.023 0.000 0.330 653 H C -1.637 173.767 175.328 0.126 0.000 1.111 653 H CA -0.564 55.504 56.048 0.033 0.000 1.245 653 H CB 1.080 30.821 29.762 -0.035 0.000 1.456 653 H HN 0.764 nan 8.280 nan 0.000 0.488 654 W N 5.075 125.965 121.300 -0.683 0.000 3.033 654 W HA 0.539 5.213 4.660 0.023 0.000 0.336 654 W C -2.009 174.297 176.519 -0.354 0.000 1.173 654 W CA -1.286 55.877 57.345 -0.305 0.000 1.185 654 W CB 1.427 30.812 29.460 -0.125 0.000 1.425 654 W HN 0.565 nan 8.180 nan 0.000 0.536 655 M N 3.105 122.885 119.600 0.300 0.000 2.365 655 M HA 0.585 5.079 4.480 0.023 0.000 0.288 655 M C -2.674 173.844 176.300 0.364 0.000 1.152 655 M CA -0.543 54.877 55.300 0.200 0.000 0.948 655 M CB 1.854 34.545 32.600 0.152 0.000 1.729 655 M HN 0.192 nan 8.290 nan 0.000 0.487 656 V N 3.856 123.980 119.914 0.351 0.000 2.448 656 V HA 1.017 5.151 4.120 0.023 0.000 0.295 656 V C -0.384 175.831 176.094 0.201 0.000 1.025 656 V CA -0.043 62.433 62.300 0.293 0.000 0.859 656 V CB 1.250 33.244 31.823 0.286 0.000 0.988 656 V HN 1.120 nan 8.190 nan 0.000 0.431 657 A N 4.662 127.604 122.820 0.203 0.000 2.435 657 A HA 0.898 5.232 4.320 0.023 0.000 0.304 657 A C -1.417 176.285 177.584 0.196 0.000 1.064 657 A CA -0.632 51.494 52.037 0.149 0.000 0.727 657 A CB 1.736 20.790 19.000 0.091 0.000 1.284 657 A HN 0.871 nan 8.150 nan 0.000 0.415 658 L N 1.388 122.696 121.223 0.142 0.000 2.276 658 L HA 0.548 4.902 4.340 0.023 0.000 0.286 658 L C -0.621 176.348 176.870 0.166 0.000 1.024 658 L CA 0.219 55.156 54.840 0.161 0.000 0.826 658 L CB 0.391 42.512 42.059 0.104 0.000 1.211 658 L HN 0.753 nan 8.230 nan 0.000 0.422 659 D N 4.664 125.230 120.400 0.276 0.000 2.686 659 D HA -0.209 4.445 4.640 0.023 0.000 0.235 659 D C 1.151 177.498 176.300 0.078 0.000 1.160 659 D CA 1.491 55.641 54.000 0.250 0.000 0.645 659 D CB -1.135 39.776 40.800 0.185 0.000 1.039 659 D HN 1.202 nan 8.370 nan 0.000 0.423 660 G N -0.830 107.980 108.800 0.017 0.000 2.299 660 G HA2 -0.362 3.612 3.960 0.023 0.000 0.237 660 G HA3 -0.362 3.612 3.960 0.023 0.000 0.237 660 G C 0.246 175.077 174.900 -0.115 0.000 1.027 660 G CA 0.431 45.432 45.100 -0.165 0.000 0.619 660 G HN 0.493 nan 8.290 nan 0.000 0.513 661 K N 2.280 122.660 120.400 -0.032 0.000 2.262 661 K HA 0.489 4.823 4.320 0.023 0.000 0.282 661 K C -2.640 173.962 176.600 0.005 0.000 1.066 661 K CA -1.890 54.382 56.287 -0.025 0.000 0.901 661 K CB 1.642 34.140 32.500 -0.003 0.000 1.089 661 K HN 0.083 nan 8.250 nan 0.000 0.476 662 P HA -0.081 nan 4.420 nan 0.000 0.264 662 P C -0.062 177.256 177.300 0.030 0.000 1.193 662 P CA -0.028 63.077 63.100 0.008 0.000 0.763 662 P CB 0.665 32.353 31.700 -0.020 0.000 0.810 663 L N 1.852 123.112 121.223 0.062 0.000 2.547 663 L HA 0.507 4.861 4.340 0.023 0.000 0.218 663 L C 0.489 177.410 176.870 0.084 0.000 1.048 663 L CA 0.773 55.656 54.840 0.072 0.000 0.859 663 L CB 0.139 42.254 42.059 0.093 0.000 1.128 663 L HN 0.456 nan 8.230 nan 0.000 0.483 664 A N -0.978 121.910 122.820 0.113 0.000 2.583 664 A HA 0.593 4.927 4.320 0.023 0.000 0.292 664 A C -0.914 176.675 177.584 0.008 0.000 1.045 664 A CA 0.273 52.380 52.037 0.118 0.000 0.672 664 A CB 1.147 20.311 19.000 0.273 0.000 1.283 664 A HN 0.209 nan 8.150 nan 0.000 0.419 665 S N -0.899 114.551 115.700 -0.417 0.000 2.661 665 S HA 0.987 5.471 4.470 0.023 0.000 0.268 665 S C -0.151 173.493 174.600 -1.593 0.000 1.162 665 S CA -0.005 57.371 58.200 -1.374 0.000 0.817 665 S CB 0.893 63.730 63.200 -0.604 0.000 1.141 665 S HN 2.739 nan 8.310 nan 0.000 0.477 666 G N -0.252 107.315 108.800 -2.054 0.000 2.342 666 G HA2 0.586 4.560 3.960 0.023 0.000 0.297 666 G HA3 0.586 4.560 3.960 0.023 0.000 0.297 666 G C -2.354 172.012 174.900 -0.889 0.000 1.313 666 G CA -0.369 44.122 45.100 -1.015 0.000 0.830 666 G HN 1.146 nan 8.290 nan 0.000 0.506 667 E N -1.569 118.500 120.200 -0.219 0.000 2.390 667 E HA 0.706 5.070 4.350 0.023 0.000 0.277 667 E C -1.765 174.905 176.600 0.116 0.000 0.939 667 E CA -1.036 55.351 56.400 -0.021 0.000 0.769 667 E CB 2.656 32.383 29.700 0.045 0.000 1.251 667 E HN 0.598 nan 8.360 nan 0.000 0.450 668 V N 1.319 121.319 119.914 0.144 0.000 2.808 668 V HA 0.428 4.562 4.120 0.023 0.000 0.308 668 V C -2.523 173.635 176.094 0.107 0.000 1.099 668 V CA -1.795 60.585 62.300 0.134 0.000 0.920 668 V CB 2.095 34.016 31.823 0.164 0.000 1.014 668 V HN 0.674 nan 8.190 nan 0.000 0.425 669 P HA 0.343 nan 4.420 nan 0.000 0.278 669 P C -0.864 176.482 177.300 0.076 0.000 1.238 669 P CA -0.252 62.893 63.100 0.075 0.000 0.794 669 P CB 1.014 32.753 31.700 0.065 0.000 0.955 670 L N 2.624 123.887 121.223 0.066 0.000 2.292 670 L HA 0.320 4.674 4.340 0.023 0.000 0.284 670 L C 0.368 177.295 176.870 0.095 0.000 1.065 670 L CA 0.092 54.967 54.840 0.059 0.000 0.806 670 L CB 0.861 42.910 42.059 -0.016 0.000 1.175 670 L HN 0.379 nan 8.230 nan 0.000 0.431 671 D N 3.373 123.844 120.400 0.117 0.000 2.517 671 D HA 0.314 4.968 4.640 0.023 0.000 0.263 671 D C -1.300 175.113 176.300 0.188 0.000 1.233 671 D CA -0.179 53.916 54.000 0.159 0.000 0.849 671 D CB 0.902 41.779 40.800 0.127 0.000 1.261 671 D HN 0.038 nan 8.370 nan 0.000 0.516 672 V N 1.332 121.366 119.914 0.200 0.000 2.495 672 V HA 0.857 4.991 4.120 0.023 0.000 0.298 672 V C 0.899 176.961 176.094 -0.052 0.000 1.031 672 V CA -1.189 61.193 62.300 0.137 0.000 0.871 672 V CB 1.257 33.203 31.823 0.206 0.000 0.988 672 V HN 0.554 nan 8.190 nan 0.000 0.432 673 A N 6.575 129.234 122.820 -0.268 0.000 2.366 673 A HA 0.667 5.001 4.320 0.023 0.000 0.249 673 A C -2.260 175.085 177.584 -0.398 0.000 1.084 673 A CA -1.349 50.139 52.037 -0.915 0.000 0.794 673 A CB -0.246 18.549 19.000 -0.342 0.000 1.034 673 A HN 0.689 nan 8.150 nan 0.000 0.491 674 P HA 0.019 nan 4.420 nan 0.000 0.262 674 P C -0.374 176.858 177.300 -0.113 0.000 1.182 674 P CA 0.616 63.634 63.100 -0.137 0.000 0.761 674 P CB 0.581 32.217 31.700 -0.107 0.000 0.795 675 Q N -1.079 118.662 119.800 -0.098 0.000 2.324 675 Q HA -0.161 4.193 4.340 0.023 0.000 0.200 675 Q C 0.814 176.782 176.000 -0.054 0.000 0.645 675 Q CA 1.883 57.635 55.803 -0.085 0.000 1.377 675 Q CB -2.521 26.168 28.738 -0.081 0.000 1.486 675 Q HN 0.758 nan 8.270 nan 0.000 0.796 676 G N 0.228 109.001 108.800 -0.045 0.000 2.543 676 G HA2 0.525 4.499 3.960 0.023 0.000 0.290 676 G HA3 0.525 4.499 3.960 0.023 0.000 0.290 676 G C -0.194 174.715 174.900 0.016 0.000 1.310 676 G CA -0.431 44.661 45.100 -0.013 0.000 1.025 676 G HN -0.007 nan 8.290 nan 0.000 0.502 677 K N -0.821 119.598 120.400 0.032 0.000 2.435 677 K HA 0.440 4.774 4.320 0.023 0.000 0.251 677 K C -1.098 175.539 176.600 0.061 0.000 0.954 677 K CA -0.617 55.698 56.287 0.047 0.000 0.820 677 K CB 2.613 35.132 32.500 0.032 0.000 1.292 677 K HN 0.562 nan 8.250 nan 0.000 0.436 678 Q N 3.101 122.944 119.800 0.072 0.000 2.285 678 Q HA 0.390 4.744 4.340 0.023 0.000 0.269 678 Q C -1.620 174.418 176.000 0.064 0.000 1.030 678 Q CA -0.656 55.191 55.803 0.073 0.000 0.788 678 Q CB 1.315 30.107 28.738 0.091 0.000 1.266 678 Q HN 0.529 nan 8.270 nan 0.000 0.438 679 L N 4.788 126.038 121.223 0.045 0.000 2.307 679 L HA 0.585 4.939 4.340 0.023 0.000 0.282 679 L C -0.382 176.500 176.870 0.020 0.000 1.051 679 L CA -0.766 54.089 54.840 0.027 0.000 0.804 679 L CB 1.242 43.306 42.059 0.007 0.000 1.197 679 L HN 0.626 nan 8.230 nan 0.000 0.431 680 I N 2.235 122.806 120.570 0.002 0.000 2.447 680 I HA 0.231 4.415 4.170 0.023 0.000 0.287 680 I C -0.493 175.579 176.117 -0.076 0.000 1.023 680 I CA -0.501 60.791 61.300 -0.014 0.000 1.083 680 I CB 2.345 40.352 38.000 0.012 0.000 1.245 680 I HN 0.520 nan 8.210 nan 0.000 0.434 681 E N 6.257 126.411 120.200 -0.076 0.000 2.200 681 E HA 0.462 4.826 4.350 0.023 0.000 0.283 681 E C -0.874 175.617 176.600 -0.182 0.000 1.015 681 E CA -0.312 56.016 56.400 -0.120 0.000 0.819 681 E CB 1.028 30.679 29.700 -0.082 0.000 1.081 681 E HN 0.388 nan 8.360 nan 0.000 0.397 682 L N 5.690 126.744 121.223 -0.282 0.000 2.436 682 L HA 0.388 4.742 4.340 0.023 0.000 0.265 682 L C -1.812 174.899 176.870 -0.265 0.000 1.168 682 L CA -1.937 52.646 54.840 -0.428 0.000 0.815 682 L CB 0.464 42.182 42.059 -0.568 0.000 1.109 682 L HN 0.446 nan 8.230 nan 0.000 0.462 683 P HA 0.056 nan 4.420 nan 0.000 0.276 683 P C -0.591 176.649 177.300 -0.099 0.000 1.244 683 P CA -0.576 62.463 63.100 -0.101 0.000 0.801 683 P CB 0.455 32.149 31.700 -0.009 0.000 1.006 684 E N 1.616 121.782 120.200 -0.056 0.000 2.608 684 E HA -0.081 4.283 4.350 0.023 0.000 0.259 684 E C -0.655 175.923 176.600 -0.037 0.000 0.951 684 E CA 0.471 56.842 56.400 -0.048 0.000 0.945 684 E CB 0.113 29.797 29.700 -0.027 0.000 0.916 684 E HN 0.364 nan 8.360 nan 0.000 0.477 685 L N 8.264 129.459 121.223 -0.047 0.000 2.328 685 L HA 0.233 4.587 4.340 0.023 0.000 0.280 685 L C -1.812 175.054 176.870 -0.007 0.000 1.111 685 L CA -1.971 52.852 54.840 -0.028 0.000 0.909 685 L CB 0.671 42.699 42.059 -0.051 0.000 1.277 685 L HN 0.343 nan 8.230 nan 0.000 0.433 686 P HA -0.063 nan 4.420 nan 0.000 0.258 686 P C -0.212 177.098 177.300 0.017 0.000 1.172 686 P CA -0.132 62.977 63.100 0.016 0.000 0.762 686 P CB 0.562 32.280 31.700 0.029 0.000 0.764 687 Q N 4.263 124.069 119.800 0.010 0.000 2.523 687 Q HA 0.124 4.478 4.340 0.023 0.000 0.283 687 Q C -1.809 174.203 176.000 0.019 0.000 1.140 687 Q CA 0.160 55.969 55.803 0.010 0.000 0.981 687 Q CB -0.585 28.157 28.738 0.006 0.000 1.310 687 Q HN 0.453 nan 8.270 nan 0.000 0.483 688 P HA 0.316 nan 4.420 nan 0.000 0.298 688 P C -1.311 176.003 177.300 0.024 0.000 1.341 688 P CA -0.640 62.477 63.100 0.028 0.000 0.988 688 P CB 1.436 33.157 31.700 0.035 0.000 1.265 689 E N 0.945 121.160 120.200 0.026 0.000 2.373 689 E HA 0.487 4.851 4.350 0.023 0.000 0.233 689 E C -0.713 175.903 176.600 0.026 0.000 1.035 689 E CA -0.173 56.241 56.400 0.023 0.000 0.930 689 E CB 0.225 29.937 29.700 0.020 0.000 1.278 689 E HN 0.361 nan 8.360 nan 0.000 0.452 690 S N -0.319 115.398 115.700 0.028 0.000 2.752 690 S HA 0.277 4.761 4.470 0.023 0.000 0.279 690 S C -0.621 174.001 174.600 0.035 0.000 0.949 690 S CA -0.769 57.450 58.200 0.032 0.000 0.916 690 S CB 0.558 63.780 63.200 0.037 0.000 1.157 690 S HN 0.492 nan 8.310 nan 0.000 0.459 691 A N 0.505 123.347 122.820 0.037 0.000 2.346 691 A HA 0.906 5.240 4.320 0.023 0.000 0.252 691 A C 0.969 178.585 177.584 0.053 0.000 1.089 691 A CA 0.613 52.674 52.037 0.039 0.000 0.797 691 A CB -0.265 18.760 19.000 0.041 0.000 1.047 691 A HN 2.426 nan 8.150 nan 0.000 0.494 692 G N -1.064 107.769 108.800 0.055 0.000 2.351 692 G HA2 0.450 4.424 3.960 0.023 0.000 0.353 692 G HA3 0.450 4.424 3.960 0.023 0.000 0.353 692 G C -1.096 173.842 174.900 0.063 0.000 1.358 692 G CA -0.126 45.022 45.100 0.080 0.000 0.995 692 G HN 1.234 nan 8.290 nan 0.000 0.611 693 Q N -0.246 119.611 119.800 0.094 0.000 2.290 693 Q HA 0.731 5.085 4.340 0.023 0.000 0.259 693 Q C -0.360 175.690 176.000 0.083 0.000 0.941 693 Q CA -0.593 55.219 55.803 0.016 0.000 0.912 693 Q CB 1.249 29.966 28.738 -0.035 0.000 1.244 693 Q HN 0.598 nan 8.270 nan 0.000 0.441 694 L N 4.128 125.346 121.223 -0.009 0.000 2.350 694 L HA 0.496 4.850 4.340 0.023 0.000 0.275 694 L C -0.772 176.107 176.870 0.014 0.000 1.099 694 L CA -0.377 54.512 54.840 0.081 0.000 0.808 694 L CB 0.741 42.823 42.059 0.039 0.000 1.149 694 L HN 0.684 nan 8.230 nan 0.000 0.442 695 W N 3.861 125.217 121.300 0.093 0.000 2.785 695 W HA 0.517 5.191 4.660 0.023 0.000 0.333 695 W C -0.892 175.728 176.519 0.168 0.000 1.062 695 W CA -0.525 56.897 57.345 0.128 0.000 1.233 695 W CB 1.719 31.275 29.460 0.160 0.000 1.413 695 W HN 0.110 nan 8.180 nan 0.000 0.489 696 L N 3.439 124.932 121.223 0.450 0.000 2.296 696 L HA 0.764 5.118 4.340 0.023 0.000 0.286 696 L C -0.315 176.853 176.870 0.497 0.000 1.023 696 L CA 0.206 55.296 54.840 0.416 0.000 0.812 696 L CB 1.193 43.464 42.059 0.352 0.000 1.223 696 L HN 0.327 nan 8.230 nan 0.000 0.421 697 T N 4.971 119.770 114.554 0.408 0.000 2.841 697 T HA 0.704 5.068 4.350 0.023 0.000 0.283 697 T C -0.717 174.184 174.700 0.335 0.000 1.000 697 T CA -0.428 61.874 62.100 0.336 0.000 0.977 697 T CB 1.663 70.676 68.868 0.243 0.000 0.979 697 T HN 0.629 nan 8.240 nan 0.000 0.446 698 V N 1.202 121.278 119.914 0.270 0.000 2.823 698 V HA 0.898 5.032 4.120 0.023 0.000 0.312 698 V C -1.090 175.110 176.094 0.177 0.000 1.072 698 V CA -1.282 61.150 62.300 0.219 0.000 0.937 698 V CB 1.982 33.879 31.823 0.122 0.000 1.013 698 V HN 0.933 nan 8.190 nan 0.000 0.430 699 R N 2.242 122.878 120.500 0.226 0.000 2.698 699 R HA 0.803 5.157 4.340 0.023 0.000 0.275 699 R C -1.823 174.628 176.300 0.252 0.000 1.001 699 R CA -0.879 55.378 56.100 0.262 0.000 0.896 699 R CB 2.468 32.897 30.300 0.215 0.000 1.218 699 R HN 0.567 nan 8.270 nan 0.000 0.462 700 V N 2.571 122.659 119.914 0.289 0.000 2.370 700 V HA 0.361 4.495 4.120 0.023 0.000 0.279 700 V C -0.249 175.965 176.094 0.200 0.000 1.029 700 V CA -0.670 61.762 62.300 0.220 0.000 0.870 700 V CB 1.599 33.535 31.823 0.188 0.000 0.984 700 V HN 0.473 nan 8.190 nan 0.000 0.451 701 V N 5.172 125.173 119.914 0.145 0.000 2.555 701 V HA 0.423 4.557 4.120 0.023 0.000 0.302 701 V C -0.244 175.923 176.094 0.122 0.000 1.038 701 V CA -0.715 61.654 62.300 0.115 0.000 0.887 701 V CB 2.015 33.880 31.823 0.070 0.000 0.991 701 V HN 0.895 nan 8.190 nan 0.000 0.434 702 Q N 5.464 125.348 119.800 0.139 0.000 2.368 702 Q HA 0.295 4.649 4.340 0.023 0.000 0.256 702 Q C -1.830 174.207 176.000 0.061 0.000 0.980 702 Q CA -1.775 54.100 55.803 0.119 0.000 0.887 702 Q CB 2.046 30.868 28.738 0.141 0.000 1.221 702 Q HN 0.458 nan 8.270 nan 0.000 0.458 703 P HA -0.144 nan 4.420 nan 0.000 0.219 703 P C -0.543 176.758 177.300 0.002 0.000 1.150 703 P CA 1.087 64.201 63.100 0.023 0.000 0.814 703 P CB 0.397 32.111 31.700 0.024 0.000 0.787 704 N N -0.663 118.032 118.700 -0.008 0.000 2.456 704 N HA 0.458 5.212 4.740 0.023 0.000 0.296 704 N C -0.353 175.109 175.510 -0.080 0.000 1.102 704 N CA -0.710 52.319 53.050 -0.034 0.000 0.924 704 N CB 1.072 39.542 38.487 -0.028 0.000 1.186 704 N HN -0.075 nan 8.380 nan 0.000 0.492 705 A N 0.719 123.483 122.820 -0.092 0.000 2.406 705 A HA 0.477 4.811 4.320 0.023 0.000 0.243 705 A C 0.541 178.004 177.584 -0.203 0.000 1.082 705 A CA -0.002 51.943 52.037 -0.153 0.000 0.786 705 A CB 0.038 18.971 19.000 -0.110 0.000 1.029 705 A HN 0.708 nan 8.150 nan 0.000 0.495 706 T N -3.134 111.217 114.554 -0.338 0.000 2.742 706 T HA 0.624 4.988 4.350 0.023 0.000 0.282 706 T C 0.996 175.534 174.700 -0.271 0.000 1.025 706 T CA 0.064 61.961 62.100 -0.339 0.000 1.020 706 T CB 1.011 69.486 68.868 -0.655 0.000 1.317 706 T HN 1.389 nan 8.240 nan 0.000 0.538 707 A N -0.073 122.677 122.820 -0.116 0.000 2.070 707 A HA 0.079 4.413 4.320 0.023 0.000 0.220 707 A C 1.663 179.360 177.584 0.188 0.000 1.159 707 A CA 1.275 53.341 52.037 0.049 0.000 0.656 707 A CB -0.929 18.131 19.000 0.099 0.000 0.800 707 A HN 0.910 nan 8.150 nan 0.000 0.453 708 W N -0.857 120.505 121.300 0.103 0.000 2.870 708 W HA 0.416 5.091 4.660 0.025 0.000 0.358 708 W C -0.202 176.292 176.519 -0.042 0.000 1.043 708 W CA 0.497 57.883 57.345 0.069 0.000 1.692 708 W CB -1.082 28.410 29.460 0.054 0.000 1.100 708 W HN 0.395 nan 8.180 nan 0.000 0.557 709 S N -0.035 115.234 115.700 -0.718 0.000 2.596 709 S HA 0.493 4.977 4.470 0.023 0.000 0.270 709 S C -1.075 173.295 174.600 -0.385 0.000 1.155 709 S CA -0.778 57.031 58.200 -0.651 0.000 0.827 709 S CB 2.750 65.183 63.200 -1.277 0.000 1.130 709 S HN 0.085 nan 8.310 nan 0.000 0.467 710 E N 0.406 120.489 120.200 -0.195 0.000 2.280 710 E HA 0.638 5.002 4.350 0.023 0.000 0.264 710 E C 0.103 176.662 176.600 -0.068 0.000 1.064 710 E CA -0.961 55.381 56.400 -0.096 0.000 0.900 710 E CB 1.334 31.023 29.700 -0.020 0.000 1.123 710 E HN 0.872 nan 8.360 nan 0.000 0.418 711 A N 0.692 123.482 122.820 -0.050 0.000 2.531 711 A HA 0.391 4.725 4.320 0.023 0.000 0.236 711 A C 1.143 178.731 177.584 0.006 0.000 1.062 711 A CA 0.815 52.836 52.037 -0.027 0.000 0.760 711 A CB -0.494 18.491 19.000 -0.025 0.000 0.995 711 A HN 0.820 nan 8.150 nan 0.000 0.501 712 G N 0.387 109.201 108.800 0.024 0.000 2.195 712 G HA2 -0.248 3.726 3.960 0.023 0.000 0.246 712 G HA3 -0.248 3.726 3.960 0.023 0.000 0.246 712 G C 0.284 175.217 174.900 0.055 0.000 0.984 712 G CA 0.667 45.782 45.100 0.025 0.000 0.633 712 G HN 1.753 nan 8.290 nan 0.000 0.525 713 H N 0.883 119.950 119.070 -0.005 0.000 3.094 713 H HA 0.390 4.960 4.556 0.023 0.000 0.320 713 H C 0.722 176.113 175.328 0.106 0.000 1.000 713 H CA 0.488 56.557 56.048 0.036 0.000 1.413 713 H CB 0.120 29.876 29.762 -0.009 0.000 1.405 713 H HN 0.312 nan 8.280 nan 0.000 0.586 714 I N 4.940 125.267 120.570 -0.404 0.000 2.312 714 I HA 0.022 4.206 4.170 0.023 0.000 0.291 714 I C 0.921 176.927 176.117 -0.186 0.000 1.031 714 I CA 0.068 61.267 61.300 -0.169 0.000 1.293 714 I CB 1.305 39.249 38.000 -0.093 0.000 1.403 714 I HN 0.777 nan 8.210 nan 0.000 0.484 715 S N 4.453 120.260 115.700 0.178 0.000 2.511 715 S HA 0.540 5.024 4.470 0.023 0.000 0.214 715 S C 0.435 175.336 174.600 0.502 0.000 0.997 715 S CA -0.002 58.450 58.200 0.419 0.000 0.908 715 S CB 0.514 64.070 63.200 0.594 0.000 0.803 715 S HN 0.695 nan 8.310 nan 0.000 0.504 716 A N 0.420 123.572 122.820 0.552 0.000 2.608 716 A HA 0.668 5.002 4.320 0.023 0.000 0.292 716 A C -1.762 176.223 177.584 0.669 0.000 1.066 716 A CA -0.881 51.470 52.037 0.523 0.000 0.676 716 A CB 0.343 19.686 19.000 0.571 0.000 1.277 716 A HN 0.961 nan 8.150 nan 0.000 0.413 717 W N -0.322 121.176 121.300 0.330 0.000 3.005 717 W HA 0.804 5.479 4.660 0.024 0.000 0.343 717 W C -1.206 175.364 176.519 0.085 0.000 1.243 717 W CA -0.615 56.806 57.345 0.127 0.000 1.186 717 W CB 1.177 30.677 29.460 0.067 0.000 1.453 717 W HN 0.997 nan 8.180 nan 0.000 0.575 718 Q N 0.961 120.785 119.800 0.040 0.000 2.527 718 Q HA 0.438 4.792 4.340 0.023 0.000 0.280 718 Q C -1.523 174.293 176.000 -0.307 0.000 0.977 718 Q CA -0.478 55.180 55.803 -0.242 0.000 0.837 718 Q CB 2.372 30.752 28.738 -0.597 0.000 1.454 718 Q HN 0.622 nan 8.270 nan 0.000 0.387 719 Q N 1.225 120.790 119.800 -0.392 0.000 2.484 719 Q HA 0.686 5.040 4.340 0.023 0.000 0.285 719 Q C -1.024 174.796 176.000 -0.301 0.000 1.097 719 Q CA -0.774 54.971 55.803 -0.096 0.000 0.802 719 Q CB 2.682 31.591 28.738 0.284 0.000 1.444 719 Q HN 0.583 nan 8.270 nan 0.000 0.429 720 W N 0.532 121.989 121.300 0.261 0.000 3.217 720 W HA 0.436 5.110 4.660 0.023 0.000 0.323 720 W C -0.473 175.965 176.519 -0.136 0.000 1.216 720 W CA -0.679 56.713 57.345 0.077 0.000 1.194 720 W CB 1.757 31.228 29.460 0.018 0.000 1.397 720 W HN 0.425 nan 8.180 nan 0.000 0.537 721 R N 1.620 121.975 120.500 -0.241 0.000 2.390 721 R HA 0.505 4.859 4.340 0.023 0.000 0.291 721 R C 0.425 176.570 176.300 -0.258 0.000 1.070 721 R CA -0.130 55.574 56.100 -0.661 0.000 1.014 721 R CB 1.117 30.963 30.300 -0.755 0.000 1.007 721 R HN 0.307 nan 8.270 nan 0.000 0.466 722 L N 1.216 122.297 121.223 -0.235 0.000 2.836 722 L HA 0.546 4.900 4.340 0.023 0.000 0.216 722 L C 0.565 177.348 176.870 -0.144 0.000 1.861 722 L CA -1.112 53.651 54.840 -0.128 0.000 2.145 722 L CB -0.058 41.962 42.059 -0.066 0.000 2.671 722 L HN 0.599 nan 8.230 nan 0.000 0.594 723 A N 0.299 123.062 122.820 -0.095 0.000 2.507 723 A HA 0.177 4.511 4.320 0.023 0.000 0.235 723 A C -0.266 177.266 177.584 -0.087 0.000 1.070 723 A CA 0.330 52.319 52.037 -0.080 0.000 0.768 723 A CB 0.077 19.048 19.000 -0.049 0.000 1.011 723 A HN 0.636 nan 8.150 nan 0.000 0.502 724 E N 0.685 120.841 120.200 -0.073 0.000 2.272 724 E HA 0.326 4.690 4.350 0.023 0.000 0.269 724 E C -1.481 175.103 176.600 -0.026 0.000 0.877 724 E CA -0.717 55.648 56.400 -0.057 0.000 0.755 724 E CB 1.011 30.667 29.700 -0.072 0.000 1.192 724 E HN 0.695 nan 8.360 nan 0.000 0.422 725 N N 4.852 123.548 118.700 -0.006 0.000 2.518 725 N HA 0.271 5.025 4.740 0.023 0.000 0.254 725 N C -0.641 174.877 175.510 0.013 0.000 0.979 725 N CA -0.338 52.714 53.050 0.003 0.000 0.930 725 N CB 1.169 39.662 38.487 0.009 0.000 1.152 725 N HN 0.445 nan 8.380 nan 0.000 0.505 726 L N 0.732 121.961 121.223 0.011 0.000 2.456 726 L HA 0.119 4.473 4.340 0.023 0.000 0.272 726 L C 1.335 178.219 176.870 0.025 0.000 1.189 726 L CA 0.087 54.940 54.840 0.020 0.000 0.846 726 L CB 0.451 42.521 42.059 0.018 0.000 1.111 726 L HN 0.334 nan 8.230 nan 0.000 0.475 727 S N 1.296 117.015 115.700 0.033 0.000 2.488 727 S HA 0.220 4.704 4.470 0.023 0.000 0.278 727 S C 0.612 175.230 174.600 0.029 0.000 1.259 727 S CA -0.690 57.530 58.200 0.033 0.000 1.061 727 S CB 0.652 63.876 63.200 0.041 0.000 0.910 727 S HN 0.487 nan 8.310 nan 0.000 0.491 728 V N 2.326 122.255 119.914 0.024 0.000 3.346 728 V HA 0.340 4.474 4.120 0.023 0.000 0.309 728 V C 0.605 176.711 176.094 0.020 0.000 1.457 728 V CA 0.087 62.399 62.300 0.021 0.000 1.069 728 V CB -0.411 31.422 31.823 0.016 0.000 0.944 728 V HN 0.832 nan 8.190 nan 0.000 0.449 729 T N 1.878 116.445 114.554 0.022 0.000 2.727 729 T HA 0.624 4.988 4.350 0.023 0.000 0.295 729 T C -0.087 174.625 174.700 0.020 0.000 0.915 729 T CA -0.470 61.642 62.100 0.020 0.000 1.066 729 T CB 0.342 69.222 68.868 0.021 0.000 0.891 729 T HN 0.405 nan 8.240 nan 0.000 0.516 730 L N 4.626 125.859 121.223 0.017 0.000 2.584 730 L HA 0.251 4.605 4.340 0.023 0.000 0.272 730 L C -0.824 176.054 176.870 0.012 0.000 1.195 730 L CA -1.192 53.657 54.840 0.015 0.000 0.920 730 L CB -1.314 40.752 42.059 0.012 0.000 1.173 730 L HN 0.381 nan 8.230 nan 0.000 0.489 731 P HA -0.165 nan 4.420 nan 0.000 0.228 731 P C -0.180 177.118 177.300 -0.003 0.000 0.821 731 P CA 1.663 64.766 63.100 0.005 0.000 1.093 731 P CB -0.036 31.665 31.700 0.002 0.000 0.688 732 A N -2.953 119.859 122.820 -0.014 0.000 1.756 732 A HA 0.515 4.849 4.320 0.023 0.000 0.245 732 A C -0.500 177.056 177.584 -0.048 0.000 0.947 732 A CA -0.375 51.649 52.037 -0.023 0.000 0.722 732 A CB -0.640 18.343 19.000 -0.029 0.000 0.686 732 A HN 0.507 nan 8.150 nan 0.000 0.328 733 A N 2.818 125.624 122.820 -0.023 0.000 2.540 733 A HA 0.463 4.797 4.320 0.023 0.000 0.268 733 A C 1.035 178.584 177.584 -0.058 0.000 1.061 733 A CA 1.126 53.152 52.037 -0.019 0.000 0.821 733 A CB -0.797 18.211 19.000 0.013 0.000 0.970 733 A HN 1.917 nan 8.150 nan 0.000 0.524 734 S N 2.165 117.821 115.700 -0.074 0.000 2.550 734 S HA -0.041 4.443 4.470 0.023 0.000 0.285 734 S C 1.054 175.636 174.600 -0.030 0.000 1.326 734 S CA 0.504 58.634 58.200 -0.116 0.000 1.037 734 S CB 0.014 63.184 63.200 -0.051 0.000 0.838 734 S HN 0.812 nan 8.310 nan 0.000 0.519 735 H N 0.438 119.525 119.070 0.027 0.000 2.428 735 H HA 0.267 4.837 4.556 0.023 0.000 0.296 735 H C 0.886 176.230 175.328 0.027 0.000 1.062 735 H CA 0.603 56.666 56.048 0.025 0.000 1.350 735 H CB 0.221 29.998 29.762 0.025 0.000 1.403 735 H HN 0.635 nan 8.280 nan 0.000 0.533 736 A N 0.695 123.592 122.820 0.127 0.000 2.564 736 A HA 0.551 4.885 4.320 0.023 0.000 0.288 736 A C -1.459 176.164 177.584 0.065 0.000 1.164 736 A CA -0.747 51.344 52.037 0.090 0.000 0.712 736 A CB 1.184 20.240 19.000 0.094 0.000 1.303 736 A HN 0.211 nan 8.150 nan 0.000 0.418 737 I N -0.118 120.489 120.570 0.062 0.000 2.436 737 I HA 0.701 4.885 4.170 0.023 0.000 0.289 737 I C -2.748 173.411 176.117 0.070 0.000 1.010 737 I CA -2.090 59.239 61.300 0.049 0.000 1.098 737 I CB 1.863 39.881 38.000 0.031 0.000 1.266 737 I HN 0.311 nan 8.210 nan 0.000 0.434 738 P HA 0.085 nan 4.420 nan 0.000 0.269 738 P C -1.268 176.099 177.300 0.112 0.000 1.215 738 P CA 0.198 63.353 63.100 0.093 0.000 0.780 738 P CB 0.270 31.982 31.700 0.020 0.000 0.898 739 H N 2.215 121.319 119.070 0.056 0.000 2.469 739 H HA 0.438 5.008 4.556 0.023 0.000 0.342 739 H C -1.269 174.092 175.328 0.055 0.000 1.115 739 H CA -0.912 55.162 56.048 0.043 0.000 1.204 739 H CB 1.281 31.071 29.762 0.048 0.000 1.492 739 H HN 0.237 nan 8.280 nan 0.000 0.499 740 L N 4.316 125.180 121.223 -0.599 0.000 2.295 740 L HA 0.343 4.697 4.340 0.023 0.000 0.285 740 L C -0.724 175.939 176.870 -0.345 0.000 1.035 740 L CA -0.077 54.583 54.840 -0.301 0.000 0.806 740 L CB 1.598 43.518 42.059 -0.232 0.000 1.214 740 L HN 0.565 nan 8.230 nan 0.000 0.426 741 T N 3.616 118.217 114.554 0.077 0.000 2.788 741 T HA 0.419 4.783 4.350 0.023 0.000 0.296 741 T C -0.236 174.579 174.700 0.192 0.000 1.009 741 T CA -0.288 61.930 62.100 0.196 0.000 0.949 741 T CB 0.763 69.785 68.868 0.256 0.000 0.946 741 T HN 0.703 nan 8.240 nan 0.000 0.453 742 T N 3.392 118.050 114.554 0.172 0.000 2.829 742 T HA 0.665 5.029 4.350 0.023 0.000 0.282 742 T C 0.192 174.961 174.700 0.116 0.000 0.990 742 T CA -0.658 61.580 62.100 0.230 0.000 1.028 742 T CB 1.041 70.058 68.868 0.247 0.000 0.951 742 T HN 0.701 nan 8.240 nan 0.000 0.460 743 S N 1.891 117.618 115.700 0.046 0.000 2.697 743 S HA 0.501 4.985 4.470 0.023 0.000 0.289 743 S C 0.784 175.347 174.600 -0.062 0.000 1.149 743 S CA -0.905 57.296 58.200 0.002 0.000 0.850 743 S CB 1.484 64.688 63.200 0.007 0.000 1.151 743 S HN 0.445 nan 8.310 nan 0.000 0.491 744 E N 0.648 120.819 120.200 -0.047 0.000 2.049 744 E HA -0.156 4.208 4.350 0.023 0.000 0.198 744 E C 1.652 178.184 176.600 -0.114 0.000 1.007 744 E CA 1.934 58.293 56.400 -0.067 0.000 0.809 744 E CB -0.500 29.178 29.700 -0.037 0.000 0.749 744 E HN 0.785 nan 8.360 nan 0.000 0.450 745 M N -0.598 118.948 119.600 -0.090 0.000 2.441 745 M HA 0.302 4.796 4.480 0.023 0.000 0.244 745 M C -0.248 175.970 176.300 -0.137 0.000 1.122 745 M CA 0.175 55.415 55.300 -0.100 0.000 1.041 745 M CB 0.305 32.880 32.600 -0.043 0.000 1.438 745 M HN -0.307 nan 8.290 nan 0.000 0.484 746 D N -0.289 120.015 120.400 -0.160 0.000 2.596 746 D HA 0.445 5.099 4.640 0.023 0.000 0.234 746 D C -1.468 174.741 176.300 -0.153 0.000 1.181 746 D CA -0.277 53.651 54.000 -0.120 0.000 0.856 746 D CB 2.204 43.025 40.800 0.034 0.000 1.498 746 D HN 0.096 nan 8.370 nan 0.000 0.446 747 F N 1.011 121.050 119.950 0.148 0.000 2.402 747 F HA 0.360 4.901 4.527 0.023 0.000 0.355 747 F C 0.115 176.057 175.800 0.237 0.000 1.123 747 F CA -0.709 57.372 58.000 0.134 0.000 1.021 747 F CB 1.224 40.266 39.000 0.069 0.000 1.160 747 F HN 0.064 nan 8.300 nan 0.000 0.451 748 C N 4.598 124.124 119.300 0.377 0.000 2.435 748 C HA 0.754 5.228 4.460 0.023 0.000 0.333 748 C C -0.160 175.028 174.990 0.330 0.000 1.202 748 C CA -0.952 58.272 59.018 0.343 0.000 1.830 748 C CB 1.170 29.048 27.740 0.230 0.000 2.326 748 C HN 0.608 nan 8.230 nan 0.000 0.507 749 I N 2.272 123.084 120.570 0.402 0.000 2.498 749 I HA 0.422 4.606 4.170 0.023 0.000 0.290 749 I C -0.774 175.622 176.117 0.466 0.000 1.032 749 I CA -0.145 61.379 61.300 0.373 0.000 1.073 749 I CB 1.769 39.950 38.000 0.302 0.000 1.251 749 I HN 0.620 nan 8.210 nan 0.000 0.426 750 E N 6.348 126.768 120.200 0.366 0.000 2.222 750 E HA 0.748 5.112 4.350 0.023 0.000 0.267 750 E C -1.332 175.453 176.600 0.307 0.000 0.884 750 E CA -0.674 55.909 56.400 0.304 0.000 0.764 750 E CB 2.542 32.327 29.700 0.142 0.000 1.169 750 E HN 0.332 nan 8.360 nan 0.000 0.413 751 L N 2.481 123.902 121.223 0.330 0.000 2.541 751 L HA 0.623 4.977 4.340 0.023 0.000 0.266 751 L C 0.433 177.407 176.870 0.173 0.000 0.966 751 L CA 0.575 55.579 54.840 0.273 0.000 0.871 751 L CB 1.049 43.321 42.059 0.356 0.000 1.232 751 L HN 0.678 nan 8.230 nan 0.000 0.408 752 G N 4.476 113.337 108.800 0.102 0.000 2.583 752 G HA2 -0.411 3.563 3.960 0.023 0.000 0.292 752 G HA3 -0.411 3.563 3.960 0.023 0.000 0.292 752 G C 0.431 175.343 174.900 0.020 0.000 1.203 752 G CA 0.572 45.707 45.100 0.058 0.000 0.987 752 G HN 1.283 nan 8.290 nan 0.000 0.554 753 N N 1.319 120.017 118.700 -0.002 0.000 2.295 753 N HA 0.196 4.950 4.740 0.023 0.000 0.221 753 N C 0.207 175.671 175.510 -0.077 0.000 1.129 753 N CA 0.507 53.534 53.050 -0.038 0.000 0.836 753 N CB 0.308 38.771 38.487 -0.040 0.000 1.040 753 N HN 0.716 nan 8.380 nan 0.000 0.494 754 K N 0.249 120.590 120.400 -0.099 0.000 2.203 754 K HA 0.459 4.793 4.320 0.023 0.000 0.251 754 K C -0.631 175.789 176.600 -0.301 0.000 0.944 754 K CA -0.725 55.385 56.287 -0.296 0.000 0.829 754 K CB 2.390 34.613 32.500 -0.462 0.000 1.125 754 K HN 0.046 nan 8.250 nan 0.000 0.430 755 R N 2.015 122.265 120.500 -0.417 0.000 2.651 755 R HA 0.379 4.733 4.340 0.023 0.000 0.278 755 R C -1.586 174.647 176.300 -0.112 0.000 1.010 755 R CA -0.596 55.437 56.100 -0.111 0.000 0.896 755 R CB 1.260 31.505 30.300 -0.092 0.000 1.211 755 R HN 0.619 nan 8.270 nan 0.000 0.456 756 W N 3.257 124.665 121.300 0.180 0.000 2.736 756 W HA 0.338 5.012 4.660 0.023 0.000 0.335 756 W C -0.669 175.927 176.519 0.129 0.000 1.059 756 W CA -0.741 56.648 57.345 0.073 0.000 1.226 756 W CB 2.247 31.727 29.460 0.032 0.000 1.416 756 W HN 0.447 nan 8.180 nan 0.000 0.505 757 Q N 2.713 122.616 119.800 0.173 0.000 2.310 757 Q HA 0.390 4.744 4.340 0.023 0.000 0.270 757 Q C -1.943 173.987 176.000 -0.116 0.000 1.025 757 Q CA -0.498 55.407 55.803 0.170 0.000 0.772 757 Q CB 1.382 30.292 28.738 0.287 0.000 1.253 757 Q HN 0.383 nan 8.270 nan 0.000 0.450 758 F N 3.022 123.061 119.950 0.149 0.000 2.402 758 F HA 0.309 4.850 4.527 0.023 0.000 0.355 758 F C 0.636 176.473 175.800 0.062 0.000 1.123 758 F CA -0.808 57.248 58.000 0.093 0.000 1.021 758 F CB 1.186 40.250 39.000 0.107 0.000 1.160 758 F HN 0.469 nan 8.300 nan 0.000 0.451 759 N N 3.703 122.508 118.700 0.174 0.000 2.470 759 N HA 0.071 4.825 4.740 0.023 0.000 0.268 759 N C 0.931 176.464 175.510 0.039 0.000 1.136 759 N CA -0.056 53.046 53.050 0.086 0.000 0.961 759 N CB 0.791 39.335 38.487 0.095 0.000 1.067 759 N HN 0.695 nan 8.380 nan 0.000 0.468 760 R N 2.526 122.972 120.500 -0.091 0.000 2.237 760 R HA -0.065 4.289 4.340 0.023 0.000 0.219 760 R C 1.488 177.739 176.300 -0.081 0.000 1.080 760 R CA 1.092 57.094 56.100 -0.164 0.000 0.995 760 R CB 0.189 30.253 30.300 -0.393 0.000 0.875 760 R HN 0.672 nan 8.270 nan 0.000 0.462 761 Q N -0.179 119.598 119.800 -0.038 0.000 2.297 761 Q HA -0.001 4.353 4.340 0.023 0.000 0.203 761 Q C 2.054 178.061 176.000 0.011 0.000 0.931 761 Q CA 1.351 57.144 55.803 -0.017 0.000 0.885 761 Q CB 0.488 29.226 28.738 -0.001 0.000 0.991 761 Q HN 0.349 nan 8.270 nan 0.000 0.498 762 S N -1.213 114.518 115.700 0.052 0.000 2.421 762 S HA 0.122 4.606 4.470 0.023 0.000 0.224 762 S C 1.565 176.154 174.600 -0.017 0.000 1.035 762 S CA 0.725 58.992 58.200 0.111 0.000 0.953 762 S CB 0.367 63.729 63.200 0.271 0.000 0.810 762 S HN 0.443 nan 8.310 nan 0.000 0.497 763 G N 0.443 109.229 108.800 -0.023 0.000 2.143 763 G HA2 -0.205 3.769 3.960 0.023 0.000 0.249 763 G HA3 -0.205 3.769 3.960 0.023 0.000 0.249 763 G C -0.089 174.742 174.900 -0.116 0.000 0.981 763 G CA 0.329 45.380 45.100 -0.082 0.000 0.665 763 G HN 0.535 nan 8.290 nan 0.000 0.528 764 F N -1.386 118.748 119.950 0.307 0.000 2.594 764 F HA 0.699 5.240 4.527 0.023 0.000 0.335 764 F C 0.454 176.297 175.800 0.072 0.000 1.058 764 F CA -1.443 56.698 58.000 0.234 0.000 0.981 764 F CB 1.377 40.463 39.000 0.143 0.000 1.289 764 F HN 0.014 nan 8.300 nan 0.000 0.490 765 L N 1.663 122.960 121.223 0.122 0.000 2.407 765 L HA 0.212 4.566 4.340 0.023 0.000 0.282 765 L C 0.919 177.691 176.870 -0.163 0.000 1.110 765 L CA 0.383 54.973 54.840 -0.417 0.000 0.863 765 L CB 0.363 42.113 42.059 -0.515 0.000 1.207 765 L HN 0.695 nan 8.230 nan 0.000 0.454 766 S N 2.466 118.071 115.700 -0.159 0.000 2.486 766 S HA 0.237 4.721 4.470 0.023 0.000 0.220 766 S C 0.626 175.099 174.600 -0.212 0.000 1.011 766 S CA -0.133 58.007 58.200 -0.101 0.000 0.921 766 S CB 0.075 63.269 63.200 -0.011 0.000 0.785 766 S HN 0.655 nan 8.310 nan 0.000 0.517 767 Q N 0.048 119.655 119.800 -0.322 0.000 2.472 767 Q HA 0.615 4.969 4.340 0.023 0.000 0.281 767 Q C -1.854 173.768 176.000 -0.631 0.000 0.997 767 Q CA -0.394 55.061 55.803 -0.580 0.000 0.828 767 Q CB 1.890 30.118 28.738 -0.850 0.000 1.443 767 Q HN 0.319 nan 8.270 nan 0.000 0.390 768 M N 2.722 121.854 119.600 -0.781 0.000 2.378 768 M HA 0.506 5.000 4.480 0.023 0.000 0.289 768 M C -2.005 173.946 176.300 -0.582 0.000 1.136 768 M CA -0.068 54.869 55.300 -0.605 0.000 0.917 768 M CB 1.559 33.756 32.600 -0.671 0.000 1.669 768 M HN 0.765 nan 8.290 nan 0.000 0.461 769 W N 5.301 126.353 121.300 -0.413 0.000 2.761 769 W HA 0.552 5.226 4.660 0.023 0.000 0.340 769 W C -0.863 175.460 176.519 -0.325 0.000 1.072 769 W CA -0.776 56.396 57.345 -0.288 0.000 1.215 769 W CB 1.777 31.113 29.460 -0.208 0.000 1.420 769 W HN 0.503 nan 8.180 nan 0.000 0.519 770 I N 3.197 123.764 120.570 -0.005 0.000 2.371 770 I HA 0.322 4.506 4.170 0.023 0.000 0.282 770 I C 0.889 176.998 176.117 -0.013 0.000 1.031 770 I CA 0.399 61.660 61.300 -0.066 0.000 1.180 770 I CB 0.647 38.591 38.000 -0.094 0.000 1.336 770 I HN 0.777 nan 8.210 nan 0.000 0.467 771 G N 6.232 115.017 108.800 -0.025 0.000 2.536 771 G HA2 -0.341 3.633 3.960 0.023 0.000 0.280 771 G HA3 -0.341 3.633 3.960 0.023 0.000 0.280 771 G C 0.368 175.273 174.900 0.008 0.000 1.152 771 G CA 0.520 45.606 45.100 -0.023 0.000 0.970 771 G HN 0.764 nan 8.290 nan 0.000 0.549 772 D N 0.852 121.268 120.400 0.026 0.000 2.342 772 D HA 0.222 4.876 4.640 0.023 0.000 0.221 772 D C 0.421 176.850 176.300 0.215 0.000 1.101 772 D CA 0.228 54.274 54.000 0.076 0.000 0.837 772 D CB 0.222 41.034 40.800 0.021 0.000 0.938 772 D HN 0.310 nan 8.370 nan 0.000 0.508 773 K N 1.285 121.777 120.400 0.154 0.000 2.262 773 K HA 0.266 4.600 4.320 0.023 0.000 0.282 773 K C 0.146 176.744 176.600 -0.004 0.000 1.066 773 K CA -0.453 55.881 56.287 0.078 0.000 0.901 773 K CB 1.601 34.103 32.500 0.003 0.000 1.089 773 K HN 0.062 nan 8.250 nan 0.000 0.476 774 K N 2.101 122.419 120.400 -0.137 0.000 2.401 774 K HA 0.001 4.335 4.320 0.023 0.000 0.278 774 K C 1.116 177.538 176.600 -0.296 0.000 1.018 774 K CA 0.139 56.140 56.287 -0.477 0.000 0.981 774 K CB 0.615 32.878 32.500 -0.395 0.000 0.933 774 K HN 0.329 nan 8.250 nan 0.000 0.477 775 Q N 1.666 121.267 119.800 -0.333 0.000 2.317 775 Q HA 0.189 4.543 4.340 0.023 0.000 0.220 775 Q C -0.007 175.916 176.000 -0.129 0.000 0.873 775 Q CA 0.357 56.082 55.803 -0.129 0.000 0.936 775 Q CB 0.559 29.268 28.738 -0.048 0.000 1.105 775 Q HN 0.497 nan 8.270 nan 0.000 0.520 776 L N 0.493 121.569 121.223 -0.245 0.000 2.342 776 L HA 0.403 4.757 4.340 0.023 0.000 0.271 776 L C 0.940 177.677 176.870 -0.220 0.000 1.008 776 L CA -0.398 54.318 54.840 -0.208 0.000 0.818 776 L CB 1.675 43.597 42.059 -0.228 0.000 1.296 776 L HN -0.070 nan 8.230 nan 0.000 0.427 777 L N 0.151 121.242 121.223 -0.221 0.000 2.537 777 L HA 0.246 4.600 4.340 0.023 0.000 0.224 777 L C 0.119 176.879 176.870 -0.184 0.000 1.065 777 L CA 0.620 55.339 54.840 -0.203 0.000 0.860 777 L CB 0.786 42.705 42.059 -0.235 0.000 1.086 777 L HN 0.606 nan 8.230 nan 0.000 0.482 778 T N 0.160 114.583 114.554 -0.218 0.000 2.912 778 T HA 0.417 4.781 4.350 0.023 0.000 0.299 778 T C -2.553 172.079 174.700 -0.113 0.000 1.052 778 T CA -1.106 60.912 62.100 -0.137 0.000 0.996 778 T CB 2.595 71.374 68.868 -0.148 0.000 1.070 778 T HN -0.249 nan 8.240 nan 0.000 0.465 779 P HA 0.203 nan 4.420 nan 0.000 0.271 779 P C -0.693 176.564 177.300 -0.072 0.000 1.244 779 P CA -0.727 62.333 63.100 -0.067 0.000 0.793 779 P CB 0.428 32.113 31.700 -0.025 0.000 0.984 780 L N 2.377 123.593 121.223 -0.011 0.000 2.325 780 L HA 0.271 4.625 4.340 0.023 0.000 0.284 780 L C 0.068 176.893 176.870 -0.075 0.000 1.089 780 L CA 0.517 55.391 54.840 0.056 0.000 0.836 780 L CB -0.592 41.612 42.059 0.242 0.000 1.184 780 L HN 0.274 nan 8.230 nan 0.000 0.444 781 R N 2.775 123.139 120.500 -0.227 0.000 2.795 781 R HA 0.494 4.848 4.340 0.023 0.000 0.275 781 R C -0.970 175.204 176.300 -0.209 0.000 0.981 781 R CA -1.046 54.746 56.100 -0.512 0.000 0.917 781 R CB 1.264 31.102 30.300 -0.770 0.000 1.202 781 R HN 0.517 nan 8.270 nan 0.000 0.469 782 D N 1.040 121.389 120.400 -0.084 0.000 2.368 782 D HA 0.073 4.727 4.640 0.023 0.000 0.240 782 D C -0.433 175.538 176.300 -0.548 0.000 1.169 782 D CA 0.224 54.048 54.000 -0.293 0.000 0.906 782 D CB 0.659 41.227 40.800 -0.387 0.000 1.187 782 D HN 0.251 nan 8.370 nan 0.000 0.435 783 Q N 0.621 119.892 119.800 -0.882 0.000 2.289 783 Q HA 0.361 4.715 4.340 0.023 0.000 0.270 783 Q C -1.378 173.915 176.000 -1.178 0.000 1.038 783 Q CA -0.569 54.758 55.803 -0.793 0.000 0.812 783 Q CB 0.849 29.319 28.738 -0.448 0.000 1.300 783 Q HN 0.553 nan 8.270 nan 0.000 0.427 784 F N 0.947 120.518 119.950 -0.632 0.000 2.729 784 F HA 0.224 4.765 4.527 0.023 0.000 0.315 784 F C 0.417 175.779 175.800 -0.730 0.000 1.102 784 F CA -0.185 57.315 58.000 -0.834 0.000 1.204 784 F CB 1.612 39.758 39.000 -1.423 0.000 1.052 784 F HN 0.479 nan 8.300 nan 0.000 0.551 785 T N -1.019 113.237 114.554 -0.497 0.000 2.887 785 T HA 0.757 5.121 4.350 0.023 0.000 0.292 785 T C -0.641 173.807 174.700 -0.420 0.000 1.087 785 T CA -1.002 60.736 62.100 -0.603 0.000 1.009 785 T CB 2.814 71.269 68.868 -0.687 0.000 1.203 785 T HN 0.239 nan 8.240 nan 0.000 0.518 786 R N -0.004 120.275 120.500 -0.369 0.000 2.808 786 R HA 0.784 5.138 4.340 0.023 0.000 0.272 786 R C -0.794 175.556 176.300 0.084 0.000 0.995 786 R CA -1.226 54.799 56.100 -0.125 0.000 0.917 786 R CB 1.574 31.815 30.300 -0.099 0.000 1.217 786 R HN 0.830 nan 8.270 nan 0.000 0.471 787 A N 3.351 126.214 122.820 0.071 0.000 2.484 787 A HA 0.291 4.625 4.320 0.023 0.000 0.268 787 A C -2.004 175.657 177.584 0.128 0.000 1.114 787 A CA -1.372 50.712 52.037 0.078 0.000 0.780 787 A CB -0.462 18.530 19.000 -0.014 0.000 1.061 787 A HN 0.545 nan 8.150 nan 0.000 0.505 788 P HA 0.055 nan 4.420 nan 0.000 0.262 788 P C -0.161 177.273 177.300 0.223 0.000 1.182 788 P CA 0.504 63.776 63.100 0.286 0.000 0.761 788 P CB 0.306 32.199 31.700 0.323 0.000 0.795 789 L N 2.604 123.929 121.223 0.170 0.000 2.475 789 L HA 0.144 4.498 4.340 0.023 0.000 0.253 789 L C 1.839 178.769 176.870 0.101 0.000 1.198 789 L CA -0.416 54.469 54.840 0.076 0.000 0.814 789 L CB -0.026 42.008 42.059 -0.041 0.000 1.134 789 L HN 0.302 nan 8.230 nan 0.000 0.478 790 D N 0.313 120.730 120.400 0.028 0.000 2.149 790 D HA -0.157 4.497 4.640 0.023 0.000 0.198 790 D C 1.591 177.888 176.300 -0.005 0.000 0.990 790 D CA 1.385 55.358 54.000 -0.044 0.000 0.839 790 D CB 0.028 40.770 40.800 -0.095 0.000 0.948 790 D HN 0.469 nan 8.370 nan 0.000 0.460 791 N N 0.955 119.649 118.700 -0.010 0.000 2.381 791 N HA -0.099 4.655 4.740 0.023 0.000 0.182 791 N C 1.111 176.652 175.510 0.050 0.000 1.025 791 N CA 0.632 53.686 53.050 0.007 0.000 0.888 791 N CB -0.087 38.386 38.487 -0.022 0.000 0.965 791 N HN 0.224 nan 8.380 nan 0.000 0.438 792 D N 0.353 120.800 120.400 0.078 0.000 2.234 792 D HA 0.064 4.718 4.640 0.023 0.000 0.205 792 D C 1.999 178.352 176.300 0.089 0.000 0.962 792 D CA 0.301 54.376 54.000 0.124 0.000 0.855 792 D CB 0.172 41.123 40.800 0.250 0.000 0.951 792 D HN 0.298 nan 8.370 nan 0.000 0.500 793 I N 0.306 120.918 120.570 0.070 0.000 2.277 793 I HA 0.026 4.210 4.170 0.023 0.000 0.243 793 I C 1.815 177.930 176.117 -0.002 0.000 1.094 793 I CA 0.780 62.097 61.300 0.029 0.000 1.393 793 I CB -0.443 37.554 38.000 -0.005 0.000 1.078 793 I HN 0.080 nan 8.210 nan 0.000 0.417 794 G N 1.037 109.842 108.800 0.008 0.000 2.550 794 G HA2 -0.328 3.646 3.960 0.023 0.000 0.277 794 G HA3 -0.328 3.646 3.960 0.023 0.000 0.277 794 G C 0.643 175.540 174.900 -0.005 0.000 1.190 794 G CA 0.718 45.831 45.100 0.022 0.000 0.971 794 G HN 0.518 nan 8.290 nan 0.000 0.559 795 V N -2.035 117.863 119.914 -0.027 0.000 3.647 795 V HA 0.564 4.698 4.120 0.023 0.000 0.279 795 V C 1.456 177.500 176.094 -0.084 0.000 1.314 795 V CA 1.326 63.571 62.300 -0.091 0.000 1.125 795 V CB 0.038 31.779 31.823 -0.138 0.000 0.907 795 V HN 1.380 nan 8.190 nan 0.000 0.434 796 S N 1.380 117.044 115.700 -0.060 0.000 2.626 796 S HA 0.084 4.568 4.470 0.023 0.000 0.303 796 S C -0.030 174.542 174.600 -0.048 0.000 1.256 796 S CA 0.342 58.511 58.200 -0.052 0.000 1.069 796 S CB -0.010 63.168 63.200 -0.038 0.000 0.807 796 S HN 0.825 nan 8.310 nan 0.000 0.500 797 E N 2.459 122.633 120.200 -0.043 0.000 2.256 797 E HA 0.655 5.019 4.350 0.023 0.000 0.267 797 E C 0.452 177.042 176.600 -0.016 0.000 0.892 797 E CA -0.264 56.117 56.400 -0.031 0.000 0.775 797 E CB 1.395 31.070 29.700 -0.041 0.000 1.207 797 E HN 0.580 nan 8.360 nan 0.000 0.420 798 A N 2.114 124.934 122.820 -0.000 0.000 2.019 798 A HA -0.140 4.194 4.320 0.023 0.000 0.219 798 A C 1.928 179.513 177.584 0.001 0.000 1.164 798 A CA 2.031 54.072 52.037 0.005 0.000 0.644 798 A CB -0.652 18.358 19.000 0.017 0.000 0.805 798 A HN 0.642 nan 8.150 nan 0.000 0.449 799 T N -3.185 111.367 114.554 -0.003 0.000 3.081 799 T HA 0.124 4.488 4.350 0.023 0.000 0.255 799 T C 0.819 175.507 174.700 -0.019 0.000 1.113 799 T CA 0.549 62.645 62.100 -0.007 0.000 1.082 799 T CB -0.116 68.748 68.868 -0.006 0.000 0.939 799 T HN 0.347 nan 8.240 nan 0.000 0.506 800 R N 1.212 121.697 120.500 -0.026 0.000 3.107 800 R HA 0.242 4.596 4.340 0.023 0.000 0.224 800 R C -1.223 175.052 176.300 -0.041 0.000 1.734 800 R CA -0.587 55.490 56.100 -0.037 0.000 1.303 800 R CB 0.121 30.391 30.300 -0.050 0.000 1.570 800 R HN 0.220 nan 8.270 nan 0.000 0.606 801 I N 2.346 122.896 120.570 -0.033 0.000 2.752 801 I HA -0.068 4.116 4.170 0.023 0.000 0.289 801 I C 0.571 176.659 176.117 -0.048 0.000 1.197 801 I CA 0.575 61.854 61.300 -0.035 0.000 1.432 801 I CB 0.356 38.340 38.000 -0.026 0.000 1.359 801 I HN 0.460 nan 8.210 nan 0.000 0.571 802 D N 10.043 130.409 120.400 -0.057 0.000 2.428 802 D HA 0.240 4.894 4.640 0.023 0.000 0.221 802 D C -1.625 174.624 176.300 -0.085 0.000 1.123 802 D CA -2.238 51.720 54.000 -0.070 0.000 0.869 802 D CB 1.453 42.210 40.800 -0.072 0.000 1.032 802 D HN 0.205 nan 8.370 nan 0.000 0.506 803 P HA -0.139 nan 4.420 nan 0.000 0.221 803 P C 0.956 178.164 177.300 -0.153 0.000 1.145 803 P CA 0.768 63.808 63.100 -0.101 0.000 0.795 803 P CB 0.204 31.854 31.700 -0.083 0.000 0.775 804 N N -0.317 118.285 118.700 -0.163 0.000 2.446 804 N HA 0.006 4.760 4.740 0.023 0.000 0.179 804 N C 0.439 175.759 175.510 -0.317 0.000 1.054 804 N CA -0.113 52.797 53.050 -0.234 0.000 0.905 804 N CB 0.016 38.392 38.487 -0.185 0.000 0.973 804 N HN -0.030 nan 8.380 nan 0.000 0.448 805 A N 0.349 123.025 122.820 -0.240 0.000 2.483 805 A HA 0.019 4.353 4.320 0.023 0.000 0.238 805 A C 0.586 177.956 177.584 -0.358 0.000 1.070 805 A CA -0.365 51.527 52.037 -0.241 0.000 0.770 805 A CB -0.152 18.778 19.000 -0.116 0.000 1.008 805 A HN 0.459 nan 8.150 nan 0.000 0.497 806 W N 1.511 122.562 121.300 -0.414 0.000 2.318 806 W HA -0.183 4.491 4.660 0.023 0.000 0.313 806 W C 2.216 178.199 176.519 -0.894 0.000 1.221 806 W CA 1.708 58.548 57.345 -0.842 0.000 1.266 806 W CB -0.424 28.393 29.460 -1.072 0.000 1.150 806 W HN 0.545 nan 8.180 nan 0.000 0.496 807 V N 0.891 120.700 119.914 -0.175 0.000 2.392 807 V HA -0.267 3.867 4.120 0.023 0.000 0.249 807 V C 2.128 178.299 176.094 0.129 0.000 1.059 807 V CA 2.110 64.505 62.300 0.158 0.000 1.051 807 V CB -0.328 31.623 31.823 0.214 0.000 0.658 807 V HN 0.098 nan 8.190 nan 0.000 0.455 808 E N -0.174 120.009 120.200 -0.029 0.000 2.107 808 E HA -0.139 4.225 4.350 0.023 0.000 0.191 808 E C 2.343 178.904 176.600 -0.066 0.000 0.982 808 E CA 0.878 57.260 56.400 -0.030 0.000 0.809 808 E CB -0.301 29.356 29.700 -0.071 0.000 0.756 808 E HN 0.613 nan 8.360 nan 0.000 0.459 809 R N -0.056 120.329 120.500 -0.191 0.000 2.081 809 R HA -0.113 4.241 4.340 0.023 0.000 0.235 809 R C 2.278 178.508 176.300 -0.117 0.000 1.131 809 R CA 1.264 57.231 56.100 -0.223 0.000 0.960 809 R CB -0.180 29.873 30.300 -0.411 0.000 0.856 809 R HN 0.258 nan 8.270 nan 0.000 0.436 810 W N 1.440 122.703 121.300 -0.061 0.000 2.358 810 W HA -0.080 4.594 4.660 0.024 0.000 0.303 810 W C 1.959 178.443 176.519 -0.059 0.000 1.208 810 W CA 0.655 57.866 57.345 -0.224 0.000 1.274 810 W CB -0.645 28.814 29.460 -0.001 0.000 1.138 810 W HN 0.119 nan 8.180 nan 0.000 0.515 811 K N 0.212 120.824 120.400 0.353 0.000 2.002 811 K HA -0.102 4.232 4.320 0.023 0.000 0.209 811 K C 2.310 178.966 176.600 0.094 0.000 1.048 811 K CA 1.885 58.342 56.287 0.283 0.000 0.930 811 K CB -0.666 31.948 32.500 0.189 0.000 0.714 811 K HN -0.036 nan 8.250 nan 0.000 0.438 812 A N 1.120 123.968 122.820 0.046 0.000 1.978 812 A HA -0.124 4.210 4.320 0.023 0.000 0.220 812 A C 2.177 179.749 177.584 -0.021 0.000 1.170 812 A CA 1.888 53.932 52.037 0.012 0.000 0.636 812 A CB -0.578 18.420 19.000 -0.003 0.000 0.810 812 A HN 0.371 nan 8.150 nan 0.000 0.448 813 A N -2.058 120.724 122.820 -0.063 0.000 2.208 813 A HA 0.404 4.738 4.320 0.023 0.000 0.209 813 A C 1.830 179.330 177.584 -0.139 0.000 1.161 813 A CA 1.229 53.233 52.037 -0.054 0.000 0.782 813 A CB -0.804 18.144 19.000 -0.088 0.000 0.816 813 A HN 1.878 nan 8.150 nan 0.000 0.477 814 G N -1.578 107.030 108.800 -0.320 0.000 2.157 814 G HA2 -0.305 3.669 3.960 0.023 0.000 0.248 814 G HA3 -0.305 3.669 3.960 0.023 0.000 0.248 814 G C 0.618 175.528 174.900 0.016 0.000 0.979 814 G CA 0.659 45.380 45.100 -0.632 0.000 0.650 814 G HN 0.736 nan 8.290 nan 0.000 0.529 815 H N -1.370 117.688 119.070 -0.019 0.000 2.387 815 H HA -0.108 4.462 4.556 0.023 0.000 0.299 815 H C 2.109 177.417 175.328 -0.033 0.000 1.099 815 H CA 1.623 57.674 56.048 0.005 0.000 1.315 815 H CB 0.064 29.766 29.762 -0.101 0.000 1.380 815 H HN 0.608 nan 8.280 nan 0.000 0.513 816 Y N 0.059 120.492 120.300 0.222 0.000 2.546 816 Y HA -0.049 4.515 4.550 0.023 0.000 0.287 816 Y C 1.853 177.841 175.900 0.146 0.000 1.158 816 Y CA 0.099 58.290 58.100 0.150 0.000 1.307 816 Y CB 0.567 39.098 38.460 0.118 0.000 1.036 816 Y HN 0.163 nan 8.280 nan 0.000 0.532 817 Q N -0.329 119.640 119.800 0.281 0.000 2.317 817 Q HA 0.309 4.663 4.340 0.023 0.000 0.220 817 Q C 0.721 176.901 176.000 0.300 0.000 0.873 817 Q CA 0.106 56.065 55.803 0.261 0.000 0.936 817 Q CB 0.270 29.153 28.738 0.241 0.000 1.105 817 Q HN 0.254 nan 8.270 nan 0.000 0.520 818 A N 2.463 125.486 122.820 0.338 0.000 2.546 818 A HA 0.114 4.448 4.320 0.023 0.000 0.243 818 A C 0.035 177.907 177.584 0.479 0.000 1.063 818 A CA 0.222 52.519 52.037 0.432 0.000 0.757 818 A CB 0.023 19.316 19.000 0.488 0.000 0.991 818 A HN 0.173 nan 8.150 nan 0.000 0.503 819 E N 1.760 122.151 120.200 0.318 0.000 2.195 819 E HA 0.579 4.943 4.350 0.023 0.000 0.271 819 E C -0.341 176.174 176.600 -0.142 0.000 0.923 819 E CA -0.863 55.635 56.400 0.163 0.000 0.790 819 E CB 1.622 31.398 29.700 0.126 0.000 1.155 819 E HN 0.705 nan 8.360 nan 0.000 0.402 820 A N 2.138 124.744 122.820 -0.358 0.000 2.492 820 A HA 0.448 4.782 4.320 0.023 0.000 0.254 820 A C -0.082 177.356 177.584 -0.244 0.000 1.091 820 A CA -0.050 51.560 52.037 -0.711 0.000 0.768 820 A CB 0.065 18.809 19.000 -0.427 0.000 1.028 820 A HN 0.652 nan 8.150 nan 0.000 0.498 821 A N 2.950 125.632 122.820 -0.230 0.000 2.303 821 A HA 0.586 4.920 4.320 0.023 0.000 0.320 821 A C -0.387 177.154 177.584 -0.072 0.000 1.192 821 A CA -0.579 51.408 52.037 -0.084 0.000 0.821 821 A CB 0.553 19.516 19.000 -0.061 0.000 1.188 821 A HN 1.241 nan 8.150 nan 0.000 0.492 822 L N 2.927 124.103 121.223 -0.079 0.000 2.410 822 L HA 0.333 4.687 4.340 0.023 0.000 0.273 822 L C 0.425 177.189 176.870 -0.177 0.000 1.152 822 L CA 0.381 55.083 54.840 -0.229 0.000 0.855 822 L CB 0.397 42.323 42.059 -0.222 0.000 1.129 822 L HN 0.768 nan 8.230 nan 0.000 0.463 823 L N 3.292 124.387 121.223 -0.213 0.000 2.537 823 L HA 0.345 4.699 4.340 0.023 0.000 0.224 823 L C 0.279 177.086 176.870 -0.105 0.000 1.065 823 L CA -0.007 54.767 54.840 -0.109 0.000 0.860 823 L CB 0.068 42.092 42.059 -0.058 0.000 1.086 823 L HN 0.760 nan 8.230 nan 0.000 0.482 824 Q N -0.359 119.344 119.800 -0.162 0.000 2.545 824 Q HA 0.305 4.659 4.340 0.023 0.000 0.273 824 Q C -2.087 173.854 176.000 -0.098 0.000 0.975 824 Q CA -0.605 55.141 55.803 -0.095 0.000 0.876 824 Q CB 2.778 31.486 28.738 -0.050 0.000 1.472 824 Q HN 0.032 nan 8.270 nan 0.000 0.389 825 C N 3.289 122.581 119.300 -0.013 0.000 2.789 825 C HA 0.798 5.272 4.460 0.023 0.000 0.367 825 C C -0.775 174.337 174.990 0.203 0.000 1.062 825 C CA 0.599 59.661 59.018 0.073 0.000 1.297 825 C CB 0.475 28.256 27.740 0.068 0.000 1.794 825 C HN 0.829 nan 8.230 nan 0.000 0.474 826 T N 2.358 116.963 114.554 0.085 0.000 2.887 826 T HA 0.923 5.287 4.350 0.023 0.000 0.292 826 T C -0.521 173.928 174.700 -0.417 0.000 1.087 826 T CA -0.345 61.732 62.100 -0.038 0.000 1.009 826 T CB 1.966 70.793 68.868 -0.068 0.000 1.203 826 T HN 1.683 nan 8.240 nan 0.000 0.518 827 A N 1.102 123.483 122.820 -0.731 0.000 2.422 827 A HA 0.757 5.091 4.320 0.023 0.000 0.302 827 A C -1.311 175.990 177.584 -0.472 0.000 1.041 827 A CA -0.710 50.811 52.037 -0.860 0.000 0.708 827 A CB 1.345 19.394 19.000 -1.586 0.000 1.257 827 A HN 0.865 nan 8.150 nan 0.000 0.414 828 D N 0.881 121.078 120.400 -0.338 0.000 2.645 828 D HA 0.578 5.232 4.640 0.023 0.000 0.228 828 D C -0.733 175.452 176.300 -0.192 0.000 1.148 828 D CA 0.021 53.888 54.000 -0.221 0.000 0.860 828 D CB 2.436 43.140 40.800 -0.160 0.000 1.548 828 D HN 0.631 nan 8.370 nan 0.000 0.460 829 T N -0.576 113.890 114.554 -0.148 0.000 2.829 829 T HA 0.702 5.066 4.350 0.023 0.000 0.282 829 T C 0.330 174.976 174.700 -0.091 0.000 0.990 829 T CA -0.689 61.336 62.100 -0.125 0.000 1.028 829 T CB 1.088 69.886 68.868 -0.117 0.000 0.951 829 T HN 0.185 nan 8.240 nan 0.000 0.460 830 L N 1.650 122.825 121.223 -0.080 0.000 2.335 830 L HA 0.651 5.005 4.340 0.023 0.000 0.268 830 L C 2.048 178.891 176.870 -0.044 0.000 1.016 830 L CA -1.469 53.336 54.840 -0.059 0.000 0.805 830 L CB 0.649 42.674 42.059 -0.056 0.000 1.311 830 L HN 0.809 nan 8.230 nan 0.000 0.456 831 A N 0.532 123.333 122.820 -0.032 0.000 1.948 831 A HA -0.186 4.148 4.320 0.023 0.000 0.220 831 A C 1.042 178.616 177.584 -0.018 0.000 1.177 831 A CA 2.232 54.256 52.037 -0.021 0.000 0.636 831 A CB -0.497 18.494 19.000 -0.014 0.000 0.815 831 A HN 0.901 nan 8.150 nan 0.000 0.449 832 D N -2.930 117.456 120.400 -0.022 0.000 2.692 832 D HA 0.551 5.205 4.640 0.023 0.000 0.290 832 D C -0.125 176.157 176.300 -0.030 0.000 1.455 832 D CA 0.642 54.632 54.000 -0.017 0.000 0.796 832 D CB -0.330 40.462 40.800 -0.014 0.000 1.131 832 D HN 0.520 nan 8.370 nan 0.000 0.467 833 A N -0.651 122.142 122.820 -0.046 0.000 2.564 833 A HA 0.628 4.962 4.320 0.023 0.000 0.291 833 A C -1.812 175.717 177.584 -0.092 0.000 1.102 833 A CA -0.676 51.321 52.037 -0.068 0.000 0.660 833 A CB 1.570 20.530 19.000 -0.066 0.000 1.283 833 A HN 0.023 nan 8.150 nan 0.000 0.430 834 V N 0.592 120.432 119.914 -0.123 0.000 2.555 834 V HA 0.625 4.759 4.120 0.023 0.000 0.302 834 V C -1.042 174.949 176.094 -0.172 0.000 1.038 834 V CA -0.482 61.725 62.300 -0.154 0.000 0.887 834 V CB 1.491 33.217 31.823 -0.162 0.000 0.991 834 V HN 0.848 nan 8.190 nan 0.000 0.434 835 L N 6.349 127.461 121.223 -0.186 0.000 2.305 835 L HA 0.628 4.982 4.340 0.023 0.000 0.284 835 L C -0.736 175.982 176.870 -0.253 0.000 1.013 835 L CA 0.045 54.779 54.840 -0.176 0.000 0.819 835 L CB 1.174 43.153 42.059 -0.134 0.000 1.227 835 L HN 0.394 nan 8.230 nan 0.000 0.417 836 I N 4.047 124.458 120.570 -0.265 0.000 2.412 836 I HA 0.443 4.627 4.170 0.023 0.000 0.296 836 I C 0.009 176.064 176.117 -0.103 0.000 0.987 836 I CA -0.264 60.826 61.300 -0.350 0.000 1.180 836 I CB 1.611 39.146 38.000 -0.775 0.000 1.340 836 I HN 0.552 nan 8.210 nan 0.000 0.455 837 T N 4.602 119.105 114.554 -0.086 0.000 2.824 837 T HA 0.654 5.018 4.350 0.023 0.000 0.282 837 T C 0.072 174.797 174.700 0.041 0.000 0.993 837 T CA -0.550 61.550 62.100 -0.001 0.000 0.967 837 T CB 1.895 70.741 68.868 -0.037 0.000 0.960 837 T HN 0.785 nan 8.240 nan 0.000 0.441 838 T N -0.573 114.038 114.554 0.095 0.000 2.896 838 T HA 0.886 5.250 4.350 0.023 0.000 0.297 838 T C -1.192 173.527 174.700 0.031 0.000 1.108 838 T CA -1.073 61.058 62.100 0.053 0.000 1.004 838 T CB 2.031 70.996 68.868 0.162 0.000 1.159 838 T HN 0.808 nan 8.240 nan 0.000 0.499 839 A N 1.330 124.085 122.820 -0.110 0.000 2.488 839 A HA 0.782 5.116 4.320 0.023 0.000 0.298 839 A C -1.481 175.971 177.584 -0.220 0.000 1.044 839 A CA -0.777 51.242 52.037 -0.030 0.000 0.693 839 A CB 0.956 19.960 19.000 0.007 0.000 1.272 839 A HN 1.015 nan 8.150 nan 0.000 0.402 840 H N -0.115 119.013 119.070 0.096 0.000 2.895 840 H HA 0.772 5.342 4.556 0.023 0.000 0.373 840 H C -0.073 175.291 175.328 0.061 0.000 1.174 840 H CA 0.276 56.301 56.048 -0.037 0.000 1.144 840 H CB 2.159 31.801 29.762 -0.199 0.000 1.793 840 H HN 1.019 nan 8.280 nan 0.000 0.551 841 A N 1.722 124.574 122.820 0.053 0.000 2.350 841 A HA 0.464 4.798 4.320 0.023 0.000 0.324 841 A C -1.343 176.258 177.584 0.029 0.000 1.118 841 A CA -0.695 51.448 52.037 0.177 0.000 0.783 841 A CB 1.200 20.264 19.000 0.107 0.000 1.236 841 A HN 0.597 nan 8.150 nan 0.000 0.457 842 W N 1.844 123.257 121.300 0.189 0.000 2.376 842 W HA 0.422 5.096 4.660 0.024 0.000 0.312 842 W C -0.468 176.083 176.519 0.053 0.000 1.060 842 W CA -0.144 57.311 57.345 0.183 0.000 1.221 842 W CB 1.711 31.342 29.460 0.284 0.000 1.281 842 W HN 0.776 nan 8.180 nan 0.000 0.456 843 Q N 1.895 121.839 119.800 0.240 0.000 2.458 843 Q HA 0.467 4.821 4.340 0.023 0.000 0.282 843 Q C -0.894 175.241 176.000 0.225 0.000 1.106 843 Q CA -0.895 55.004 55.803 0.161 0.000 0.814 843 Q CB 3.614 32.404 28.738 0.087 0.000 1.425 843 Q HN 0.381 nan 8.270 nan 0.000 0.437 844 H N 1.335 120.447 119.070 0.069 0.000 3.099 844 H HA 0.051 4.621 4.556 0.023 0.000 0.342 844 H C -0.946 174.416 175.328 0.057 0.000 1.054 844 H CA -0.168 55.928 56.048 0.080 0.000 1.328 844 H CB 1.247 31.072 29.762 0.105 0.000 1.876 844 H HN 0.646 nan 8.280 nan 0.000 0.495 845 Q N 2.919 122.381 119.800 -0.563 0.000 2.457 845 Q HA -0.177 4.177 4.340 0.023 0.000 0.283 845 Q C 1.093 177.023 176.000 -0.117 0.000 1.234 845 Q CA 1.778 57.375 55.803 -0.343 0.000 0.877 845 Q CB -1.882 26.663 28.738 -0.323 0.000 1.250 845 Q HN 1.201 nan 8.270 nan 0.000 0.481 846 G N -1.116 107.642 108.800 -0.069 0.000 2.162 846 G HA2 -0.393 3.581 3.960 0.023 0.000 0.260 846 G HA3 -0.393 3.581 3.960 0.023 0.000 0.260 846 G C 0.084 174.987 174.900 0.005 0.000 0.976 846 G CA 0.709 45.797 45.100 -0.020 0.000 0.655 846 G HN 0.543 nan 8.290 nan 0.000 0.533 847 K N 0.610 121.021 120.400 0.019 0.000 2.164 847 K HA 0.603 4.937 4.320 0.023 0.000 0.258 847 K C -0.256 176.362 176.600 0.030 0.000 0.951 847 K CA -0.403 55.901 56.287 0.028 0.000 0.844 847 K CB 1.009 33.533 32.500 0.040 0.000 1.099 847 K HN -0.020 nan 8.250 nan 0.000 0.435 848 T N 5.245 119.809 114.554 0.017 0.000 2.737 848 T HA 0.190 4.554 4.350 0.023 0.000 0.296 848 T C 1.187 175.840 174.700 -0.077 0.000 0.922 848 T CA -0.385 61.723 62.100 0.013 0.000 1.079 848 T CB 0.465 69.357 68.868 0.040 0.000 0.892 848 T HN 0.537 nan 8.240 nan 0.000 0.514 849 L N 2.396 123.489 121.223 -0.217 0.000 2.145 849 L HA 0.344 4.698 4.340 0.023 0.000 0.201 849 L C -0.055 176.341 176.870 -0.790 0.000 1.075 849 L CA 0.813 55.264 54.840 -0.649 0.000 0.773 849 L CB 0.014 41.287 42.059 -1.310 0.000 0.936 849 L HN 0.521 nan 8.230 nan 0.000 0.451 850 F N -0.872 119.029 119.950 -0.080 0.000 2.588 850 F HA 0.588 5.129 4.527 0.023 0.000 0.310 850 F C -0.457 175.442 175.800 0.166 0.000 1.082 850 F CA -0.786 57.093 58.000 -0.201 0.000 0.929 850 F CB 1.974 40.386 39.000 -0.980 0.000 1.254 850 F HN -0.306 nan 8.300 nan 0.000 0.455 851 I N 1.558 122.344 120.570 0.361 0.000 2.466 851 I HA 0.382 4.566 4.170 0.023 0.000 0.289 851 I C -0.801 175.581 176.117 0.441 0.000 1.026 851 I CA -0.527 61.020 61.300 0.411 0.000 1.078 851 I CB 2.218 40.369 38.000 0.251 0.000 1.249 851 I HN 0.584 nan 8.210 nan 0.000 0.429 852 S N 6.922 122.985 115.700 0.606 0.000 2.552 852 S HA 0.579 5.063 4.470 0.023 0.000 0.314 852 S C -0.699 174.136 174.600 0.392 0.000 1.099 852 S CA -0.691 57.824 58.200 0.526 0.000 1.070 852 S CB 0.698 64.338 63.200 0.733 0.000 0.998 852 S HN 0.552 nan 8.310 nan 0.000 0.474 853 R N 3.427 124.078 120.500 0.252 0.000 2.445 853 R HA 0.586 4.940 4.340 0.023 0.000 0.308 853 R C -0.703 175.657 176.300 0.101 0.000 0.961 853 R CA -0.796 55.405 56.100 0.169 0.000 0.862 853 R CB 1.812 32.184 30.300 0.120 0.000 1.144 853 R HN 0.559 nan 8.270 nan 0.000 0.447 854 K N 0.765 121.212 120.400 0.078 0.000 2.482 854 K HA 0.457 4.791 4.320 0.023 0.000 0.257 854 K C -0.810 175.740 176.600 -0.082 0.000 0.969 854 K CA -0.913 55.338 56.287 -0.060 0.000 0.842 854 K CB 2.570 34.999 32.500 -0.119 0.000 1.359 854 K HN 0.651 nan 8.250 nan 0.000 0.441 855 T N -1.480 112.952 114.554 -0.202 0.000 2.893 855 T HA 0.559 4.923 4.350 0.023 0.000 0.293 855 T C -1.263 173.285 174.700 -0.254 0.000 1.027 855 T CA -0.732 61.292 62.100 -0.125 0.000 0.988 855 T CB 0.565 69.396 68.868 -0.061 0.000 1.043 855 T HN 0.424 nan 8.240 nan 0.000 0.461 856 Y N 0.832 121.093 120.300 -0.065 0.000 2.338 856 Y HA 0.600 5.164 4.550 0.023 0.000 0.333 856 Y C 0.433 176.259 175.900 -0.124 0.000 0.968 856 Y CA -1.015 57.061 58.100 -0.041 0.000 1.123 856 Y CB 1.980 40.422 38.460 -0.030 0.000 1.165 856 Y HN 0.629 nan 8.280 nan 0.000 0.452 857 R N 4.869 125.388 120.500 0.031 0.000 2.337 857 R HA 0.606 4.960 4.340 0.023 0.000 0.319 857 R C -1.607 174.638 176.300 -0.093 0.000 0.954 857 R CA -0.415 55.657 56.100 -0.046 0.000 0.840 857 R CB 0.590 30.870 30.300 -0.032 0.000 1.164 857 R HN 0.776 nan 8.270 nan 0.000 0.472 858 I N 5.138 125.597 120.570 -0.186 0.000 2.339 858 I HA 0.189 4.373 4.170 0.023 0.000 0.290 858 I C -0.204 175.791 176.117 -0.204 0.000 0.994 858 I CA -0.699 60.414 61.300 -0.312 0.000 1.191 858 I CB 1.443 39.067 38.000 -0.626 0.000 1.343 858 I HN 0.665 nan 8.210 nan 0.000 0.458 859 D N 4.358 124.677 120.400 -0.135 0.000 2.506 859 D HA 0.251 4.905 4.640 0.023 0.000 0.254 859 D C 1.241 177.522 176.300 -0.031 0.000 1.089 859 D CA -0.775 53.184 54.000 -0.069 0.000 1.050 859 D CB 1.074 41.851 40.800 -0.039 0.000 1.221 859 D HN 0.477 nan 8.370 nan 0.000 0.589 860 G N -0.975 107.820 108.800 -0.009 0.000 2.516 860 G HA2 -0.232 3.742 3.960 0.023 0.000 0.221 860 G HA3 -0.232 3.742 3.960 0.023 0.000 0.221 860 G C 1.180 176.092 174.900 0.020 0.000 1.107 860 G CA 1.266 46.376 45.100 0.016 0.000 0.747 860 G HN 0.586 nan 8.290 nan 0.000 0.567 861 S N -1.052 114.653 115.700 0.008 0.000 2.593 861 S HA 0.376 4.860 4.470 0.023 0.000 0.217 861 S C 1.883 176.527 174.600 0.072 0.000 0.966 861 S CA 0.891 59.102 58.200 0.017 0.000 0.914 861 S CB 0.039 63.241 63.200 0.003 0.000 0.776 861 S HN 1.482 nan 8.310 nan 0.000 0.523 862 G N 0.409 109.265 108.800 0.094 0.000 2.179 862 G HA2 -0.265 3.709 3.960 0.023 0.000 0.260 862 G HA3 -0.265 3.709 3.960 0.023 0.000 0.260 862 G C -0.117 174.904 174.900 0.202 0.000 0.977 862 G CA 0.208 45.431 45.100 0.205 0.000 0.641 862 G HN 0.608 nan 8.290 nan 0.000 0.533 863 Q N -0.332 119.532 119.800 0.106 0.000 2.293 863 Q HA 0.639 4.993 4.340 0.023 0.000 0.251 863 Q C 0.314 176.346 176.000 0.054 0.000 0.930 863 Q CA -0.199 55.677 55.803 0.122 0.000 0.893 863 Q CB 1.211 30.006 28.738 0.095 0.000 1.215 863 Q HN 0.454 nan 8.270 nan 0.000 0.425 864 M N 2.162 121.839 119.600 0.129 0.000 2.072 864 M HA 0.497 4.991 4.480 0.023 0.000 0.331 864 M C -1.348 175.052 176.300 0.166 0.000 1.004 864 M CA -0.484 54.856 55.300 0.067 0.000 0.952 864 M CB 0.919 33.591 32.600 0.120 0.000 1.511 864 M HN 0.666 nan 8.290 nan 0.000 0.422 865 A N 7.072 129.952 122.820 0.101 0.000 2.276 865 A HA 0.632 4.966 4.320 0.023 0.000 0.300 865 A C -0.675 176.952 177.584 0.071 0.000 1.235 865 A CA -0.578 51.519 52.037 0.099 0.000 0.867 865 A CB -0.004 19.032 19.000 0.060 0.000 1.137 865 A HN 0.921 nan 8.150 nan 0.000 0.527 866 I N 2.583 123.190 120.570 0.062 0.000 2.339 866 I HA 0.305 4.489 4.170 0.023 0.000 0.290 866 I C -0.059 175.961 176.117 -0.162 0.000 0.994 866 I CA -0.175 61.068 61.300 -0.094 0.000 1.191 866 I CB 1.916 39.898 38.000 -0.029 0.000 1.343 866 I HN 0.478 nan 8.210 nan 0.000 0.458 867 T N 5.822 120.232 114.554 -0.240 0.000 2.797 867 T HA 0.540 4.904 4.350 0.023 0.000 0.279 867 T C -0.298 174.191 174.700 -0.352 0.000 0.991 867 T CA -0.445 61.507 62.100 -0.247 0.000 0.979 867 T CB 1.943 70.754 68.868 -0.095 0.000 0.943 867 T HN 0.217 nan 8.240 nan 0.000 0.444 868 V N 3.794 123.376 119.914 -0.553 0.000 2.531 868 V HA 0.461 4.595 4.120 0.023 0.000 0.301 868 V C -0.726 175.186 176.094 -0.303 0.000 1.034 868 V CA -0.902 61.093 62.300 -0.509 0.000 0.865 868 V CB 1.965 33.220 31.823 -0.946 0.000 0.995 868 V HN 0.847 nan 8.190 nan 0.000 0.424 869 D N 3.501 123.885 120.400 -0.026 0.000 2.481 869 D HA 0.549 5.203 4.640 0.023 0.000 0.246 869 D C -0.958 175.457 176.300 0.192 0.000 1.109 869 D CA -0.091 53.991 54.000 0.137 0.000 0.845 869 D CB 2.752 43.656 40.800 0.175 0.000 1.160 869 D HN 0.254 nan 8.370 nan 0.000 0.534 870 V N 2.340 122.410 119.914 0.259 0.000 2.715 870 V HA 0.323 4.457 4.120 0.023 0.000 0.310 870 V C 0.004 176.243 176.094 0.241 0.000 1.054 870 V CA -0.716 61.753 62.300 0.281 0.000 0.928 870 V CB 2.546 34.581 31.823 0.352 0.000 1.007 870 V HN 0.369 nan 8.190 nan 0.000 0.437 871 E N 2.192 122.518 120.200 0.210 0.000 2.199 871 E HA 0.649 5.013 4.350 0.023 0.000 0.269 871 E C -1.592 175.117 176.600 0.182 0.000 0.899 871 E CA -0.647 55.854 56.400 0.169 0.000 0.772 871 E CB 2.647 32.429 29.700 0.136 0.000 1.155 871 E HN 0.384 nan 8.360 nan 0.000 0.408 872 V N 2.150 122.173 119.914 0.181 0.000 2.407 872 V HA 0.351 4.485 4.120 0.023 0.000 0.291 872 V C 0.111 176.286 176.094 0.134 0.000 1.018 872 V CA -0.909 61.515 62.300 0.208 0.000 0.842 872 V CB 1.363 33.352 31.823 0.276 0.000 0.996 872 V HN 0.858 nan 8.190 nan 0.000 0.426 873 A N 3.711 126.564 122.820 0.055 0.000 2.587 873 A HA 0.225 4.559 4.320 0.023 0.000 0.235 873 A C 1.638 179.284 177.584 0.103 0.000 1.044 873 A CA 0.700 52.767 52.037 0.050 0.000 0.754 873 A CB 0.211 19.208 19.000 -0.006 0.000 0.968 873 A HN 1.354 nan 8.150 nan 0.000 0.509 874 S N 0.948 116.705 115.700 0.096 0.000 2.423 874 S HA -0.145 4.339 4.470 0.023 0.000 0.231 874 S C 0.895 175.574 174.600 0.131 0.000 1.014 874 S CA 1.219 59.495 58.200 0.127 0.000 0.965 874 S CB -0.278 62.978 63.200 0.094 0.000 0.785 874 S HN 0.837 nan 8.310 nan 0.000 0.495 875 D N 0.563 121.015 120.400 0.086 0.000 2.328 875 D HA 0.120 4.774 4.640 0.023 0.000 0.221 875 D C 0.519 176.858 176.300 0.065 0.000 1.072 875 D CA 0.057 54.095 54.000 0.064 0.000 0.850 875 D CB -0.434 40.390 40.800 0.039 0.000 0.922 875 D HN 0.315 nan 8.370 nan 0.000 0.516 876 T N 1.594 116.211 114.554 0.105 0.000 2.922 876 T HA 0.372 4.736 4.350 0.023 0.000 0.285 876 T C -2.563 172.253 174.700 0.193 0.000 1.005 876 T CA -1.870 60.316 62.100 0.143 0.000 1.061 876 T CB 1.192 70.149 68.868 0.149 0.000 1.007 876 T HN -0.131 nan 8.240 nan 0.000 0.502 877 P HA 0.092 nan 4.420 nan 0.000 0.266 877 P C -0.622 176.982 177.300 0.507 0.000 1.195 877 P CA 0.046 63.251 63.100 0.175 0.000 0.768 877 P CB -0.019 31.758 31.700 0.129 0.000 0.838 878 H N 3.220 122.648 119.070 0.596 0.000 3.034 878 H HA 0.073 4.643 4.556 0.023 0.000 0.324 878 H C -1.556 174.127 175.328 0.591 0.000 1.015 878 H CA -1.319 55.027 56.048 0.496 0.000 1.429 878 H CB -0.451 29.539 29.762 0.381 0.000 1.429 878 H HN 0.387 nan 8.280 nan 0.000 0.585 879 P HA 0.000 nan 4.420 nan 0.000 0.274 879 P C 0.141 177.344 177.300 -0.162 0.000 1.237 879 P CA -0.273 62.906 63.100 0.133 0.000 0.793 879 P CB 1.026 32.650 31.700 -0.127 0.000 0.977 880 A N 2.945 125.379 122.820 -0.644 0.000 2.015 880 A HA -0.089 4.245 4.320 0.023 0.000 0.219 880 A C 0.997 178.183 177.584 -0.663 0.000 1.163 880 A CA 1.325 52.935 52.037 -0.713 0.000 0.646 880 A CB -0.548 17.800 19.000 -1.086 0.000 0.806 880 A HN 0.755 nan 8.150 nan 0.000 0.448 881 R N -3.033 117.120 120.500 -0.577 0.000 2.741 881 R HA 0.703 5.057 4.340 0.023 0.000 0.276 881 R C -1.655 174.401 176.300 -0.406 0.000 1.028 881 R CA -0.799 54.984 56.100 -0.529 0.000 0.865 881 R CB 0.696 30.637 30.300 -0.598 0.000 1.268 881 R HN -0.011 nan 8.270 nan 0.000 0.475 882 I N 1.029 121.394 120.570 -0.341 0.000 2.517 882 I HA 0.659 4.843 4.170 0.023 0.000 0.280 882 I C -0.446 175.437 176.117 -0.389 0.000 1.061 882 I CA -0.368 60.759 61.300 -0.289 0.000 1.091 882 I CB 1.824 39.741 38.000 -0.138 0.000 1.205 882 I HN 0.949 nan 8.210 nan 0.000 0.459 883 G N 5.719 114.224 108.800 -0.491 0.000 2.634 883 G HA2 0.767 4.741 3.960 0.023 0.000 0.309 883 G HA3 0.767 4.741 3.960 0.023 0.000 0.309 883 G C -1.686 173.035 174.900 -0.299 0.000 1.299 883 G CA -0.590 44.264 45.100 -0.409 0.000 0.798 883 G HN 0.264 nan 8.290 nan 0.000 0.490 884 L N 0.743 121.847 121.223 -0.197 0.000 2.323 884 L HA 0.672 5.026 4.340 0.023 0.000 0.265 884 L C -0.611 176.158 176.870 -0.168 0.000 1.012 884 L CA -1.132 53.627 54.840 -0.136 0.000 0.820 884 L CB 2.444 44.503 42.059 -0.001 0.000 1.334 884 L HN 0.780 nan 8.230 nan 0.000 0.427 885 N N 0.592 119.222 118.700 -0.117 0.000 2.494 885 N HA 0.694 5.448 4.740 0.023 0.000 0.270 885 N C -1.329 174.184 175.510 0.005 0.000 1.285 885 N CA -0.532 52.478 53.050 -0.067 0.000 0.812 885 N CB 2.354 40.816 38.487 -0.041 0.000 1.557 885 N HN 0.859 nan 8.380 nan 0.000 0.487 886 C N -1.016 118.304 119.300 0.033 0.000 3.312 886 C HA 0.582 5.056 4.460 0.023 0.000 0.332 886 C C -1.188 173.651 174.990 -0.251 0.000 1.340 886 C CA -0.844 58.154 59.018 -0.033 0.000 1.265 886 C CB 1.028 28.768 27.740 0.000 0.000 1.563 886 C HN 0.844 nan 8.230 nan 0.000 0.471 887 Q N 1.441 120.882 119.800 -0.598 0.000 2.372 887 Q HA 0.620 4.974 4.340 0.023 0.000 0.259 887 Q C -0.946 174.757 176.000 -0.494 0.000 0.993 887 Q CA -0.433 54.744 55.803 -1.043 0.000 0.854 887 Q CB 0.878 28.617 28.738 -1.666 0.000 1.231 887 Q HN 0.779 nan 8.270 nan 0.000 0.462 888 L N 2.622 123.656 121.223 -0.315 0.000 2.456 888 L HA 0.150 4.504 4.340 0.023 0.000 0.272 888 L C 1.231 178.032 176.870 -0.115 0.000 1.189 888 L CA -0.073 54.709 54.840 -0.097 0.000 0.846 888 L CB 0.700 42.807 42.059 0.080 0.000 1.111 888 L HN 0.828 nan 8.230 nan 0.000 0.475 889 A N 2.586 125.369 122.820 -0.062 0.000 1.968 889 A HA -0.079 4.255 4.320 0.023 0.000 0.217 889 A C 0.936 178.506 177.584 -0.023 0.000 1.169 889 A CA 0.674 52.668 52.037 -0.073 0.000 0.638 889 A CB -0.279 18.672 19.000 -0.082 0.000 0.812 889 A HN 0.835 nan 8.150 nan 0.000 0.446 890 Q N -0.763 119.064 119.800 0.045 0.000 2.212 890 Q HA 0.609 4.963 4.340 0.023 0.000 0.238 890 Q C -1.217 174.832 176.000 0.081 0.000 0.955 890 Q CA -0.726 55.099 55.803 0.035 0.000 0.906 890 Q CB 1.535 30.280 28.738 0.013 0.000 1.215 890 Q HN 0.016 nan 8.270 nan 0.000 0.478 891 V N 1.127 121.056 119.914 0.024 0.000 2.448 891 V HA 0.773 4.907 4.120 0.023 0.000 0.295 891 V C -0.559 175.497 176.094 -0.064 0.000 1.025 891 V CA -0.421 61.921 62.300 0.070 0.000 0.859 891 V CB 1.062 32.910 31.823 0.042 0.000 0.988 891 V HN 0.936 nan 8.190 nan 0.000 0.431 892 A N 3.168 125.884 122.820 -0.173 0.000 2.354 892 A HA 0.717 5.051 4.320 0.023 0.000 0.321 892 A C 0.700 178.262 177.584 -0.037 0.000 1.125 892 A CA -0.487 51.358 52.037 -0.321 0.000 0.799 892 A CB 1.247 19.773 19.000 -0.789 0.000 1.293 892 A HN 0.768 nan 8.150 nan 0.000 0.452 893 E N 0.258 120.442 120.200 -0.028 0.000 2.107 893 E HA -0.040 4.324 4.350 0.023 0.000 0.191 893 E C 0.093 176.755 176.600 0.103 0.000 0.982 893 E CA 0.821 57.246 56.400 0.042 0.000 0.809 893 E CB 0.122 29.831 29.700 0.015 0.000 0.756 893 E HN 0.451 nan 8.360 nan 0.000 0.459 894 R N 0.136 120.705 120.500 0.114 0.000 2.892 894 R HA 0.549 4.903 4.340 0.023 0.000 0.265 894 R C -0.529 175.950 176.300 0.298 0.000 1.025 894 R CA -0.893 55.314 56.100 0.179 0.000 0.982 894 R CB 1.773 32.149 30.300 0.128 0.000 1.185 894 R HN -0.188 nan 8.270 nan 0.000 0.484 895 V N 1.897 122.004 119.914 0.321 0.000 2.487 895 V HA 0.367 4.501 4.120 0.023 0.000 0.298 895 V C -0.266 176.097 176.094 0.448 0.000 1.028 895 V CA -0.899 61.632 62.300 0.384 0.000 0.860 895 V CB 1.808 33.802 31.823 0.285 0.000 0.991 895 V HN 0.640 nan 8.190 nan 0.000 0.427 896 N N 4.615 123.553 118.700 0.398 0.000 2.314 896 N HA 0.545 5.299 4.740 0.023 0.000 0.294 896 N C -1.388 174.377 175.510 0.424 0.000 1.029 896 N CA -0.448 52.813 53.050 0.353 0.000 0.845 896 N CB 2.677 41.268 38.487 0.173 0.000 1.321 896 N HN 0.813 nan 8.380 nan 0.000 0.481 897 W N 2.993 124.327 121.300 0.056 0.000 3.118 897 W HA 0.577 5.251 4.660 0.023 0.000 0.328 897 W C -1.996 174.482 176.519 -0.068 0.000 1.239 897 W CA -1.133 56.216 57.345 0.006 0.000 1.176 897 W CB 0.772 30.248 29.460 0.027 0.000 1.433 897 W HN 0.232 nan 8.180 nan 0.000 0.562 898 L N 3.975 125.172 121.223 -0.043 0.000 2.301 898 L HA 0.907 5.261 4.340 0.023 0.000 0.278 898 L C -0.052 176.634 176.870 -0.307 0.000 1.022 898 L CA 0.304 54.924 54.840 -0.368 0.000 0.854 898 L CB 0.596 42.525 42.059 -0.217 0.000 1.226 898 L HN 0.955 nan 8.230 nan 0.000 0.429 899 G N 3.691 112.173 108.800 -0.530 0.000 2.435 899 G HA2 0.257 4.231 3.960 0.023 0.000 0.296 899 G HA3 0.257 4.231 3.960 0.023 0.000 0.296 899 G C -1.645 173.251 174.900 -0.006 0.000 1.240 899 G CA -0.997 44.045 45.100 -0.097 0.000 0.872 899 G HN 0.391 nan 8.290 nan 0.000 0.480 900 L N 0.962 122.359 121.223 0.290 0.000 2.349 900 L HA 0.657 5.011 4.340 0.023 0.000 0.275 900 L C 0.998 178.007 176.870 0.232 0.000 1.115 900 L CA 0.585 55.567 54.840 0.236 0.000 0.820 900 L CB 0.841 42.990 42.059 0.149 0.000 1.135 900 L HN 1.168 nan 8.230 nan 0.000 0.445 901 G N 2.668 111.396 108.800 -0.120 0.000 2.325 901 G HA2 0.211 4.185 3.960 0.023 0.000 0.295 901 G HA3 0.211 4.185 3.960 0.023 0.000 0.295 901 G C -2.790 171.307 174.900 -1.339 0.000 1.274 901 G CA -0.273 44.420 45.100 -0.678 0.000 0.857 901 G HN 0.314 nan 8.290 nan 0.000 0.499 902 P HA 0.100 nan 4.420 nan 0.000 0.234 902 P C 0.496 177.606 177.300 -0.317 0.000 1.175 902 P CA 0.569 63.013 63.100 -1.094 0.000 0.801 902 P CB 0.527 31.696 31.700 -0.886 0.000 0.891 903 Q N 0.578 120.185 119.800 -0.322 0.000 2.318 903 Q HA 0.130 4.484 4.340 0.023 0.000 0.222 903 Q C 0.365 176.258 176.000 -0.178 0.000 1.003 903 Q CA -0.550 55.140 55.803 -0.189 0.000 0.936 903 Q CB 0.653 29.293 28.738 -0.164 0.000 1.204 903 Q HN 0.131 nan 8.270 nan 0.000 0.524 904 E N 1.343 121.441 120.200 -0.170 0.000 2.608 904 E HA -0.142 4.222 4.350 0.023 0.000 0.259 904 E C -1.120 175.395 176.600 -0.141 0.000 0.951 904 E CA 0.349 56.635 56.400 -0.190 0.000 0.945 904 E CB 0.211 29.867 29.700 -0.074 0.000 0.916 904 E HN 0.567 nan 8.360 nan 0.000 0.477 905 N N 2.720 121.259 118.700 -0.269 0.000 2.331 905 N HA 0.355 5.109 4.740 0.023 0.000 0.280 905 N C -1.827 173.457 175.510 -0.377 0.000 1.155 905 N CA -0.684 52.265 53.050 -0.169 0.000 0.822 905 N CB 0.770 39.188 38.487 -0.114 0.000 1.619 905 N HN 0.245 nan 8.380 nan 0.000 0.476 906 Y N -0.385 119.830 120.300 -0.141 0.000 2.633 906 Y HA 0.507 5.071 4.550 0.023 0.000 0.339 906 Y C -1.660 174.168 175.900 -0.120 0.000 1.045 906 Y CA -2.039 55.964 58.100 -0.163 0.000 1.098 906 Y CB 1.832 40.189 38.460 -0.173 0.000 1.296 906 Y HN 0.435 nan 8.280 nan 0.000 0.494 907 P HA -0.177 nan 4.420 nan 0.000 0.216 907 P C 0.418 177.579 177.300 -0.231 0.000 1.153 907 P CA 2.196 65.320 63.100 0.041 0.000 0.858 907 P CB 0.179 32.024 31.700 0.241 0.000 0.789 908 D N -2.274 117.753 120.400 -0.622 0.000 2.328 908 D HA -0.015 4.639 4.640 0.023 0.000 0.221 908 D C 0.809 176.960 176.300 -0.249 0.000 1.072 908 D CA 0.184 53.650 54.000 -0.889 0.000 0.850 908 D CB -0.330 39.745 40.800 -1.207 0.000 0.922 908 D HN 0.129 nan 8.370 nan 0.000 0.516 909 R N 0.967 121.420 120.500 -0.078 0.000 2.627 909 R HA 0.205 4.559 4.340 0.023 0.000 0.251 909 R C -0.658 175.679 176.300 0.062 0.000 1.524 909 R CA -0.171 55.951 56.100 0.036 0.000 1.606 909 R CB 0.029 30.356 30.300 0.045 0.000 1.396 909 R HN 0.106 nan 8.270 nan 0.000 0.724 910 L N -1.936 119.330 121.223 0.072 0.000 3.429 910 L HA 0.353 4.707 4.340 0.023 0.000 0.311 910 L C 1.216 178.149 176.870 0.104 0.000 1.274 910 L CA -0.047 54.834 54.840 0.069 0.000 1.037 910 L CB 0.230 42.319 42.059 0.051 0.000 1.433 910 L HN 0.052 nan 8.230 nan 0.000 0.614 911 T N -2.941 111.702 114.554 0.147 0.000 2.904 911 T HA 0.063 4.427 4.350 0.023 0.000 0.267 911 T C 1.785 176.519 174.700 0.058 0.000 1.059 911 T CA 1.162 63.371 62.100 0.181 0.000 1.137 911 T CB -0.249 68.790 68.868 0.285 0.000 0.879 911 T HN 0.367 nan 8.240 nan 0.000 0.467 912 A N 1.620 124.476 122.820 0.060 0.000 2.066 912 A HA 0.631 4.965 4.320 0.023 0.000 0.218 912 A C 1.615 179.270 177.584 0.118 0.000 1.157 912 A CA 0.546 52.561 52.037 -0.037 0.000 0.670 912 A CB -0.950 18.179 19.000 0.214 0.000 0.804 912 A HN 0.827 nan 8.150 nan 0.000 0.453 913 A N -1.177 121.672 122.820 0.049 0.000 2.386 913 A HA 0.461 4.795 4.320 0.023 0.000 0.248 913 A C 0.032 177.649 177.584 0.055 0.000 1.082 913 A CA -0.107 51.927 52.037 -0.004 0.000 0.789 913 A CB -0.040 18.945 19.000 -0.025 0.000 1.025 913 A HN 0.460 nan 8.150 nan 0.000 0.490 914 C N 0.335 119.672 119.300 0.062 0.000 2.493 914 C HA 0.560 5.034 4.460 0.023 0.000 0.326 914 C C -0.140 174.965 174.990 0.192 0.000 1.200 914 C CA -0.450 58.662 59.018 0.157 0.000 1.739 914 C CB 0.804 28.659 27.740 0.193 0.000 2.300 914 C HN 0.776 nan 8.230 nan 0.000 0.500 915 F N 3.614 123.412 119.950 -0.253 0.000 2.424 915 F HA 0.495 5.036 4.527 0.023 0.000 0.356 915 F C 0.323 175.787 175.800 -0.561 0.000 1.110 915 F CA 1.076 58.762 58.000 -0.523 0.000 1.161 915 F CB -0.035 38.108 39.000 -1.429 0.000 1.115 915 F HN 0.622 nan 8.300 nan 0.000 0.507 916 D N 3.206 122.933 120.400 -1.122 0.000 3.010 916 D HA 0.173 4.827 4.640 0.023 0.000 0.353 916 D C -1.648 173.772 176.300 -1.467 0.000 1.415 916 D CA -0.716 52.561 54.000 -1.205 0.000 0.864 916 D CB 1.426 41.444 40.800 -1.303 0.000 1.445 916 D HN 0.499 nan 8.370 nan 0.000 0.516 917 R N 0.694 120.426 120.500 -1.279 0.000 2.229 917 R HA 0.533 4.887 4.340 0.023 0.000 0.332 917 R C -1.407 174.185 176.300 -1.179 0.000 0.989 917 R CA -0.271 55.223 56.100 -1.011 0.000 0.842 917 R CB 0.265 30.226 30.300 -0.565 0.000 1.119 917 R HN 0.278 nan 8.270 nan 0.000 0.456 918 W N 2.435 123.226 121.300 -0.848 0.000 2.647 918 W HA 0.431 5.105 4.660 0.023 0.000 0.353 918 W C -0.457 175.718 176.519 -0.573 0.000 1.080 918 W CA -0.615 56.201 57.345 -0.881 0.000 1.208 918 W CB 1.717 30.171 29.460 -1.677 0.000 1.396 918 W HN 0.410 nan 8.180 nan 0.000 0.573 919 D N 2.258 122.645 120.400 -0.022 0.000 2.763 919 D HA 0.433 5.087 4.640 0.023 0.000 0.235 919 D C -1.622 174.789 176.300 0.184 0.000 1.334 919 D CA -0.172 53.896 54.000 0.115 0.000 0.950 919 D CB 1.026 41.847 40.800 0.035 0.000 1.433 919 D HN 0.382 nan 8.370 nan 0.000 0.580 920 L N 3.151 124.552 121.223 0.298 0.000 2.350 920 L HA 0.562 4.916 4.340 0.023 0.000 0.260 920 L C -2.282 174.707 176.870 0.198 0.000 1.015 920 L CA -2.192 52.788 54.840 0.232 0.000 0.821 920 L CB 2.723 44.950 42.059 0.279 0.000 1.370 920 L HN 0.188 nan 8.230 nan 0.000 0.416 921 P HA 0.002 nan 4.420 nan 0.000 0.269 921 P C 0.552 177.929 177.300 0.128 0.000 1.209 921 P CA -0.304 62.866 63.100 0.117 0.000 0.776 921 P CB 0.877 32.626 31.700 0.082 0.000 0.876 922 L N 3.606 124.912 121.223 0.137 0.000 2.043 922 L HA -0.257 4.097 4.340 0.023 0.000 0.212 922 L C 2.269 179.182 176.870 0.071 0.000 1.075 922 L CA 2.728 57.638 54.840 0.116 0.000 0.752 922 L CB -1.522 40.621 42.059 0.139 0.000 0.891 922 L HN 0.457 nan 8.230 nan 0.000 0.432 923 S N -1.841 113.901 115.700 0.071 0.000 2.419 923 S HA -0.180 4.304 4.470 0.023 0.000 0.233 923 S C 1.619 176.285 174.600 0.110 0.000 1.016 923 S CA 1.102 59.356 58.200 0.090 0.000 0.974 923 S CB -0.800 62.452 63.200 0.087 0.000 0.786 923 S HN 0.519 nan 8.310 nan 0.000 0.492 924 D N 1.265 121.709 120.400 0.073 0.000 2.350 924 D HA 0.053 4.707 4.640 0.023 0.000 0.216 924 D C 1.196 177.500 176.300 0.007 0.000 0.968 924 D CA 0.669 54.693 54.000 0.041 0.000 0.894 924 D CB -0.169 40.661 40.800 0.050 0.000 0.909 924 D HN 0.386 nan 8.370 nan 0.000 0.520 925 M N -0.454 119.157 119.600 0.017 0.000 2.563 925 M HA 0.054 4.548 4.480 0.023 0.000 0.231 925 M C -0.052 176.241 176.300 -0.011 0.000 1.136 925 M CA -0.040 55.223 55.300 -0.063 0.000 1.026 925 M CB -0.874 31.672 32.600 -0.091 0.000 1.597 925 M HN -0.044 nan 8.290 nan 0.000 0.495 926 Y N -0.161 120.091 120.300 -0.080 0.000 2.376 926 Y HA 0.505 5.069 4.550 0.024 0.000 0.340 926 Y C -0.812 175.044 175.900 -0.073 0.000 0.965 926 Y CA -0.938 57.138 58.100 -0.040 0.000 1.078 926 Y CB 1.335 39.827 38.460 0.053 0.000 1.193 926 Y HN -0.118 nan 8.280 nan 0.000 0.452 927 T N 8.923 123.003 114.554 -0.790 0.000 2.756 927 T HA 0.297 4.661 4.350 0.023 0.000 0.290 927 T C -2.720 171.224 174.700 -1.260 0.000 0.985 927 T CA -1.509 60.068 62.100 -0.873 0.000 0.955 927 T CB 1.133 69.542 68.868 -0.765 0.000 0.930 927 T HN 0.459 nan 8.240 nan 0.000 0.451 928 P HA 0.151 nan 4.420 nan 0.000 0.220 928 P C -0.679 176.488 177.300 -0.221 0.000 1.806 928 P CA -0.464 62.241 63.100 -0.659 0.000 0.976 928 P CB -0.634 30.850 31.700 -0.359 0.000 1.952 929 Y N -0.181 120.057 120.300 -0.104 0.000 2.610 929 Y HA -0.097 4.467 4.550 0.023 0.000 0.332 929 Y C 2.299 178.255 175.900 0.094 0.000 1.201 929 Y CA -0.434 57.673 58.100 0.011 0.000 1.465 929 Y CB 0.547 38.940 38.460 -0.111 0.000 1.283 929 Y HN -0.069 nan 8.280 nan 0.000 0.563 930 V N 3.206 123.344 119.914 0.373 0.000 2.332 930 V HA -0.313 3.821 4.120 0.023 0.000 0.248 930 V C 0.575 176.842 176.094 0.290 0.000 1.055 930 V CA 1.451 63.948 62.300 0.329 0.000 1.038 930 V CB -0.555 31.497 31.823 0.383 0.000 0.651 930 V HN 0.584 nan 8.190 nan 0.000 0.450 931 F N 3.296 123.303 119.950 0.094 0.000 2.375 931 F HA 0.492 5.034 4.527 0.024 0.000 0.362 931 F C -2.365 173.456 175.800 0.036 0.000 1.129 931 F CA -3.494 54.509 58.000 0.006 0.000 1.154 931 F CB 0.577 39.488 39.000 -0.149 0.000 1.205 931 F HN 0.011 nan 8.300 nan 0.000 0.513 932 P HA 0.324 nan 4.420 nan 0.000 0.272 932 P C -1.044 175.981 177.300 -0.457 0.000 1.223 932 P CA -0.037 62.855 63.100 -0.346 0.000 0.784 932 P CB 1.347 32.866 31.700 -0.303 0.000 0.923 933 S N -0.746 114.865 115.700 -0.150 0.000 2.683 933 S HA 0.397 4.881 4.470 0.023 0.000 0.269 933 S C -0.893 173.710 174.600 0.005 0.000 1.165 933 S CA -0.959 57.191 58.200 -0.084 0.000 0.840 933 S CB 0.196 63.381 63.200 -0.024 0.000 1.169 933 S HN 0.351 nan 8.310 nan 0.000 0.490 934 E N 1.302 121.516 120.200 0.023 0.000 2.529 934 E HA 0.367 4.731 4.350 0.023 0.000 0.259 934 E C -0.193 176.466 176.600 0.097 0.000 0.966 934 E CA 0.796 57.234 56.400 0.064 0.000 0.937 934 E CB -0.250 29.512 29.700 0.102 0.000 0.923 934 E HN 0.782 nan 8.360 nan 0.000 0.468 935 N N 1.593 120.382 118.700 0.147 0.000 3.046 935 N HA 0.494 5.248 4.740 0.023 0.000 0.243 935 N C 0.125 175.691 175.510 0.094 0.000 1.452 935 N CA -0.555 52.618 53.050 0.205 0.000 0.882 935 N CB 0.958 39.557 38.487 0.187 0.000 1.425 935 N HN 0.720 nan 8.380 nan 0.000 0.517 936 G N -1.279 107.537 108.800 0.028 0.000 2.148 936 G HA2 -0.259 3.715 3.960 0.023 0.000 0.254 936 G HA3 -0.259 3.715 3.960 0.023 0.000 0.254 936 G C -0.255 174.379 174.900 -0.443 0.000 0.981 936 G CA 0.412 45.400 45.100 -0.187 0.000 0.670 936 G HN 0.709 nan 8.290 nan 0.000 0.528 937 L N -0.072 120.809 121.223 -0.571 0.000 2.483 937 L HA 0.684 5.038 4.340 0.023 0.000 0.275 937 L C 0.675 176.965 176.870 -0.966 0.000 1.220 937 L CA 0.352 54.620 54.840 -0.954 0.000 0.833 937 L CB 0.542 41.706 42.059 -1.492 0.000 1.102 937 L HN 0.262 nan 8.230 nan 0.000 0.490 938 R N 2.306 122.168 120.500 -1.063 0.000 2.575 938 R HA 0.533 4.887 4.340 0.023 0.000 0.293 938 R C -1.010 174.985 176.300 -0.509 0.000 0.983 938 R CA -0.277 55.357 56.100 -0.777 0.000 0.887 938 R CB 1.499 31.250 30.300 -0.917 0.000 1.184 938 R HN 0.690 nan 8.270 nan 0.000 0.445 939 C N 0.130 119.274 119.300 -0.259 0.000 2.451 939 C HA 0.743 5.217 4.460 0.023 0.000 0.391 939 C C 1.239 176.235 174.990 0.010 0.000 1.286 939 C CA -0.001 58.938 59.018 -0.133 0.000 1.935 939 C CB 1.434 29.111 27.740 -0.105 0.000 2.188 939 C HN 1.023 nan 8.230 nan 0.000 0.523 940 G N 1.607 110.421 108.800 0.024 0.000 2.305 940 G HA2 -0.188 3.786 3.960 0.023 0.000 0.287 940 G HA3 -0.188 3.786 3.960 0.023 0.000 0.287 940 G C -0.051 174.933 174.900 0.141 0.000 1.036 940 G CA 0.631 45.794 45.100 0.106 0.000 0.887 940 G HN 0.788 nan 8.290 nan 0.000 0.505 941 T N 0.011 114.523 114.554 -0.070 0.000 2.767 941 T HA 0.518 4.882 4.350 0.023 0.000 0.288 941 T C 1.292 175.676 174.700 -0.527 0.000 0.963 941 T CA -0.625 61.369 62.100 -0.176 0.000 1.019 941 T CB 1.331 70.135 68.868 -0.106 0.000 0.923 941 T HN 0.184 nan 8.240 nan 0.000 0.468 942 R N 1.612 122.028 120.500 -0.141 0.000 2.282 942 R HA 0.292 4.646 4.340 0.023 0.000 0.195 942 R C 0.504 176.824 176.300 0.033 0.000 0.909 942 R CA 0.217 56.292 56.100 -0.042 0.000 1.039 942 R CB 0.323 30.733 30.300 0.183 0.000 1.015 942 R HN 0.694 nan 8.270 nan 0.000 0.513 943 E N 0.376 120.606 120.200 0.051 0.000 2.321 943 E HA 0.308 4.672 4.350 0.023 0.000 0.281 943 E C -1.865 174.867 176.600 0.220 0.000 0.910 943 E CA -0.625 55.887 56.400 0.187 0.000 0.770 943 E CB 1.421 31.199 29.700 0.131 0.000 1.225 943 E HN -0.091 nan 8.360 nan 0.000 0.417 944 L N 4.172 125.587 121.223 0.319 0.000 2.385 944 L HA 0.608 4.963 4.340 0.023 0.000 0.273 944 L C -1.795 175.255 176.870 0.300 0.000 0.990 944 L CA -0.383 54.582 54.840 0.209 0.000 0.821 944 L CB 1.712 43.738 42.059 -0.054 0.000 1.279 944 L HN 0.467 nan 8.230 nan 0.000 0.412 945 N N 4.421 123.273 118.700 0.253 0.000 2.314 945 N HA 0.429 5.183 4.740 0.023 0.000 0.294 945 N C -1.971 173.756 175.510 0.362 0.000 1.029 945 N CA -0.273 52.927 53.050 0.249 0.000 0.845 945 N CB 2.228 40.806 38.487 0.152 0.000 1.321 945 N HN 0.602 nan 8.380 nan 0.000 0.481 946 Y N 0.968 121.392 120.300 0.207 0.000 2.323 946 Y HA 0.404 4.968 4.550 0.023 0.000 0.322 946 Y C 0.547 176.533 175.900 0.144 0.000 1.133 946 Y CA 0.190 58.415 58.100 0.208 0.000 1.093 946 Y CB 0.619 39.269 38.460 0.317 0.000 1.203 946 Y HN 0.860 nan 8.280 nan 0.000 0.427 947 G N 6.427 115.038 108.800 -0.314 0.000 2.574 947 G HA2 -0.272 3.702 3.960 0.023 0.000 0.286 947 G HA3 -0.272 3.702 3.960 0.023 0.000 0.286 947 G C -2.015 172.752 174.900 -0.221 0.000 1.212 947 G CA 0.017 44.929 45.100 -0.313 0.000 0.979 947 G HN 0.607 nan 8.290 nan 0.000 0.557 948 P HA 0.205 nan 4.420 nan 0.000 0.262 948 P C -0.005 177.084 177.300 -0.351 0.000 1.304 948 P CA 0.363 63.282 63.100 -0.301 0.000 0.859 948 P CB 0.051 31.550 31.700 -0.335 0.000 1.310 949 H N 0.455 119.466 119.070 -0.097 0.000 2.472 949 H HA 0.456 5.026 4.556 0.023 0.000 0.335 949 H C -0.108 174.936 175.328 -0.473 0.000 1.136 949 H CA -0.037 55.838 56.048 -0.289 0.000 1.264 949 H CB 1.739 31.152 29.762 -0.582 0.000 1.486 949 H HN 0.104 nan 8.280 nan 0.000 0.517 950 Q N 2.428 121.966 119.800 -0.437 0.000 2.347 950 Q HA 0.253 4.607 4.340 0.023 0.000 0.271 950 Q C -1.587 174.130 176.000 -0.472 0.000 1.064 950 Q CA -0.738 54.893 55.803 -0.287 0.000 0.800 950 Q CB 2.076 30.790 28.738 -0.041 0.000 1.304 950 Q HN 0.577 nan 8.270 nan 0.000 0.438 951 W N 3.910 125.169 121.300 -0.069 0.000 2.656 951 W HA 0.544 5.218 4.660 0.024 0.000 0.327 951 W C -0.406 176.203 176.519 0.150 0.000 1.041 951 W CA -0.726 56.551 57.345 -0.114 0.000 1.229 951 W CB 1.953 31.136 29.460 -0.461 0.000 1.397 951 W HN 0.548 nan 8.180 nan 0.000 0.479 952 R N 1.053 121.793 120.500 0.399 0.000 2.670 952 R HA 0.815 5.169 4.340 0.023 0.000 0.289 952 R C 0.295 176.871 176.300 0.461 0.000 0.965 952 R CA -0.450 55.896 56.100 0.411 0.000 0.899 952 R CB 2.342 32.792 30.300 0.249 0.000 1.173 952 R HN 0.717 nan 8.270 nan 0.000 0.456 953 G N 0.756 109.822 108.800 0.444 0.000 2.600 953 G HA2 0.058 4.032 3.960 0.023 0.000 0.103 953 G HA3 0.058 4.032 3.960 0.023 0.000 0.103 953 G C -1.700 173.325 174.900 0.207 0.000 1.090 953 G CA -0.280 45.054 45.100 0.391 0.000 1.090 953 G HN 0.500 nan 8.290 nan 0.000 0.500 954 D N -0.095 120.419 120.400 0.191 0.000 2.584 954 D HA 0.543 5.197 4.640 0.023 0.000 0.238 954 D C -0.734 175.562 176.300 -0.006 0.000 1.302 954 D CA -0.507 53.487 54.000 -0.010 0.000 0.884 954 D CB 0.030 40.870 40.800 0.066 0.000 1.456 954 D HN 0.517 nan 8.370 nan 0.000 0.528 955 F N -0.326 119.627 119.950 0.005 0.000 2.706 955 F HA 0.755 5.296 4.527 0.023 0.000 0.328 955 F C -0.807 174.959 175.800 -0.057 0.000 1.123 955 F CA -1.021 56.920 58.000 -0.099 0.000 0.978 955 F CB 0.727 39.662 39.000 -0.108 0.000 1.404 955 F HN -0.163 nan 8.300 nan 0.000 0.497 956 Q N 1.563 121.458 119.800 0.158 0.000 2.306 956 Q HA 0.616 4.970 4.340 0.023 0.000 0.265 956 Q C -1.251 174.835 176.000 0.143 0.000 1.022 956 Q CA -0.507 55.309 55.803 0.022 0.000 0.853 956 Q CB 2.605 31.252 28.738 -0.153 0.000 1.327 956 Q HN 0.856 nan 8.270 nan 0.000 0.449 957 F N -0.982 118.864 119.950 -0.174 0.000 2.662 957 F HA 0.762 5.303 4.527 0.024 0.000 0.312 957 F C -1.437 174.151 175.800 -0.354 0.000 1.113 957 F CA -1.106 56.744 58.000 -0.251 0.000 0.951 957 F CB 1.689 40.554 39.000 -0.225 0.000 1.344 957 F HN 0.558 nan 8.300 nan 0.000 0.462 958 N N 1.480 119.985 118.700 -0.324 0.000 2.329 958 N HA 0.709 5.463 4.740 0.023 0.000 0.282 958 N C -2.129 173.298 175.510 -0.138 0.000 1.198 958 N CA -0.738 52.087 53.050 -0.376 0.000 0.790 958 N CB 2.582 40.881 38.487 -0.314 0.000 1.579 958 N HN 1.126 nan 8.380 nan 0.000 0.475 959 I N 0.504 120.991 120.570 -0.138 0.000 2.610 959 I HA 0.693 4.877 4.170 0.023 0.000 0.289 959 I C -1.436 174.588 176.117 -0.155 0.000 1.163 959 I CA 0.058 61.253 61.300 -0.176 0.000 1.044 959 I CB 1.305 39.145 38.000 -0.266 0.000 1.251 959 I HN 1.050 nan 8.210 nan 0.000 0.424 960 S N 6.099 121.719 115.700 -0.134 0.000 2.636 960 S HA 0.497 4.981 4.470 0.023 0.000 0.266 960 S C -0.192 174.288 174.600 -0.201 0.000 1.147 960 S CA -1.009 57.092 58.200 -0.165 0.000 0.815 960 S CB 1.607 64.748 63.200 -0.098 0.000 1.119 960 S HN 0.627 nan 8.310 nan 0.000 0.470 961 R N -0.146 120.052 120.500 -0.504 0.000 2.320 961 R HA 0.234 4.588 4.340 0.023 0.000 0.211 961 R C -0.802 175.223 176.300 -0.458 0.000 0.931 961 R CA 0.353 56.167 56.100 -0.476 0.000 1.071 961 R CB -0.994 28.950 30.300 -0.593 0.000 1.025 961 R HN 0.674 nan 8.270 nan 0.000 0.495 962 Y N 0.229 120.521 120.300 -0.014 0.000 2.350 962 Y HA 0.204 4.768 4.550 0.023 0.000 0.338 962 Y C 0.757 176.462 175.900 -0.325 0.000 0.961 962 Y CA -1.151 56.854 58.100 -0.158 0.000 1.100 962 Y CB 1.462 39.769 38.460 -0.255 0.000 1.179 962 Y HN -0.094 nan 8.280 nan 0.000 0.454 963 S N 1.395 116.767 115.700 -0.546 0.000 2.600 963 S HA 0.041 4.525 4.470 0.023 0.000 0.265 963 S C 0.880 175.139 174.600 -0.568 0.000 1.325 963 S CA -0.693 56.789 58.200 -1.197 0.000 1.002 963 S CB 1.063 63.340 63.200 -1.540 0.000 0.921 963 S HN 0.727 nan 8.310 nan 0.000 0.554 964 Q N 0.435 119.920 119.800 -0.525 0.000 2.119 964 Q HA -0.157 4.197 4.340 0.023 0.000 0.201 964 Q C 2.260 178.122 176.000 -0.231 0.000 0.972 964 Q CA 1.599 57.240 55.803 -0.270 0.000 0.847 964 Q CB -0.589 28.022 28.738 -0.212 0.000 0.903 964 Q HN 0.950 nan 8.270 nan 0.000 0.433 965 Q N 0.683 120.305 119.800 -0.297 0.000 2.061 965 Q HA -0.243 4.111 4.340 0.023 0.000 0.204 965 Q C 2.104 177.994 176.000 -0.183 0.000 0.984 965 Q CA 1.733 57.417 55.803 -0.198 0.000 0.846 965 Q CB -0.010 28.617 28.738 -0.185 0.000 0.902 965 Q HN 0.413 nan 8.270 nan 0.000 0.421 966 Q N -0.028 119.633 119.800 -0.232 0.000 2.050 966 Q HA -0.175 4.179 4.340 0.023 0.000 0.202 966 Q C 2.289 178.157 176.000 -0.220 0.000 0.980 966 Q CA 1.498 57.172 55.803 -0.216 0.000 0.840 966 Q CB -0.104 28.471 28.738 -0.271 0.000 0.898 966 Q HN 0.488 nan 8.270 nan 0.000 0.424 967 L N 0.558 121.650 121.223 -0.218 0.000 2.042 967 L HA -0.227 4.127 4.340 0.023 0.000 0.210 967 L C 2.729 179.473 176.870 -0.210 0.000 1.076 967 L CA 1.572 56.283 54.840 -0.216 0.000 0.749 967 L CB -0.597 41.374 42.059 -0.148 0.000 0.893 967 L HN 0.465 nan 8.230 nan 0.000 0.432 968 M N -1.335 118.173 119.600 -0.155 0.000 2.394 968 M HA -0.103 4.391 4.480 0.023 0.000 0.264 968 M C 1.347 177.579 176.300 -0.113 0.000 1.073 968 M CA 1.654 56.880 55.300 -0.122 0.000 1.111 968 M CB -0.363 32.182 32.600 -0.092 0.000 1.401 968 M HN 0.120 nan 8.290 nan 0.000 0.448 969 E N 0.930 121.059 120.200 -0.119 0.000 2.479 969 E HA 0.118 4.482 4.350 0.023 0.000 0.193 969 E C -0.425 176.124 176.600 -0.085 0.000 1.049 969 E CA 0.075 56.426 56.400 -0.082 0.000 0.870 969 E CB 0.527 30.188 29.700 -0.066 0.000 0.944 969 E HN 0.423 nan 8.360 nan 0.000 0.492 970 T N -0.032 114.435 114.554 -0.144 0.000 2.807 970 T HA 0.125 4.489 4.350 0.023 0.000 0.279 970 T C 0.925 175.529 174.700 -0.160 0.000 0.993 970 T CA -0.592 61.422 62.100 -0.143 0.000 0.970 970 T CB 1.734 70.477 68.868 -0.208 0.000 0.950 970 T HN 0.003 nan 8.240 nan 0.000 0.441 971 S N 1.306 117.017 115.700 0.018 0.000 2.524 971 S HA 0.132 4.616 4.470 0.023 0.000 0.216 971 S C 0.188 174.907 174.600 0.199 0.000 0.987 971 S CA 0.134 58.445 58.200 0.186 0.000 0.909 971 S CB -0.201 63.272 63.200 0.454 0.000 0.781 971 S HN 0.736 nan 8.310 nan 0.000 0.521 972 H N 0.691 119.773 119.070 0.020 0.000 2.856 972 H HA 0.472 5.042 4.556 0.023 0.000 0.355 972 H C 0.880 176.176 175.328 -0.052 0.000 1.079 972 H CA -0.779 55.334 56.048 0.108 0.000 1.240 972 H CB 1.491 31.312 29.762 0.100 0.000 1.701 972 H HN 0.113 nan 8.280 nan 0.000 0.527 973 R N 2.068 122.666 120.500 0.163 0.000 2.139 973 R HA -0.194 4.160 4.340 0.023 0.000 0.243 973 R C 1.216 177.521 176.300 0.008 0.000 1.145 973 R CA 1.990 58.121 56.100 0.053 0.000 0.976 973 R CB -0.457 29.922 30.300 0.131 0.000 0.866 973 R HN 0.790 nan 8.270 nan 0.000 0.449 974 H N 1.017 120.091 119.070 0.007 0.000 2.521 974 H HA 0.015 4.585 4.556 0.023 0.000 0.286 974 H C 1.445 176.685 175.328 -0.147 0.000 1.034 974 H CA 0.869 56.877 56.048 -0.068 0.000 1.278 974 H CB -0.110 29.606 29.762 -0.077 0.000 1.386 974 H HN 0.332 nan 8.280 nan 0.000 0.567 975 L N 0.947 121.798 121.223 -0.620 0.000 2.607 975 L HA 0.226 4.580 4.340 0.023 0.000 0.228 975 L C 0.656 177.377 176.870 -0.248 0.000 1.123 975 L CA -0.179 54.370 54.840 -0.484 0.000 0.890 975 L CB 0.168 41.905 42.059 -0.537 0.000 1.103 975 L HN 0.046 nan 8.230 nan 0.000 0.468 976 L N 0.915 121.972 121.223 -0.278 0.000 2.439 976 L HA 0.136 4.490 4.340 0.023 0.000 0.269 976 L C 0.165 176.948 176.870 -0.145 0.000 1.179 976 L CA -0.031 54.588 54.840 -0.368 0.000 0.828 976 L CB 0.347 41.946 42.059 -0.766 0.000 1.106 976 L HN 0.213 nan 8.230 nan 0.000 0.467 977 H N 1.383 120.435 119.070 -0.029 0.000 2.679 977 H HA 0.574 5.144 4.556 0.023 0.000 0.360 977 H C -0.803 174.656 175.328 0.219 0.000 1.105 977 H CA -1.246 54.852 56.048 0.083 0.000 1.196 977 H CB 1.304 31.076 29.762 0.017 0.000 1.636 977 H HN 0.679 nan 8.280 nan 0.000 0.531 978 A N 3.603 126.590 122.820 0.279 0.000 2.546 978 A HA 0.076 4.410 4.320 0.023 0.000 0.243 978 A C 0.393 178.072 177.584 0.158 0.000 1.063 978 A CA -0.099 51.980 52.037 0.071 0.000 0.757 978 A CB -0.068 18.918 19.000 -0.023 0.000 0.991 978 A HN 0.838 nan 8.150 nan 0.000 0.503 979 E N 1.093 121.368 120.200 0.125 0.000 2.359 979 E HA 0.216 4.580 4.350 0.023 0.000 0.255 979 E C -0.067 176.589 176.600 0.093 0.000 1.191 979 E CA -0.645 55.877 56.400 0.203 0.000 0.952 979 E CB 0.696 30.596 29.700 0.334 0.000 1.152 979 E HN 0.795 nan 8.360 nan 0.000 0.496 980 E N -0.161 120.080 120.200 0.068 0.000 2.383 980 E HA 0.255 4.619 4.350 0.023 0.000 0.264 980 E C 0.292 176.848 176.600 -0.073 0.000 1.050 980 E CA 0.525 56.923 56.400 -0.005 0.000 0.896 980 E CB 0.620 30.309 29.700 -0.019 0.000 0.982 980 E HN 0.663 nan 8.360 nan 0.000 0.424 981 G N 2.084 110.842 108.800 -0.071 0.000 2.598 981 G HA2 -0.231 3.743 3.960 0.023 0.000 0.244 981 G HA3 -0.231 3.743 3.960 0.023 0.000 0.244 981 G C -0.622 174.209 174.900 -0.115 0.000 1.302 981 G CA -0.153 44.886 45.100 -0.103 0.000 0.903 981 G HN 0.593 nan 8.290 nan 0.000 0.575 982 T N 0.112 114.570 114.554 -0.161 0.000 2.928 982 T HA 0.491 4.855 4.350 0.023 0.000 0.296 982 T C -0.832 173.698 174.700 -0.282 0.000 1.000 982 T CA -0.190 61.821 62.100 -0.149 0.000 0.989 982 T CB 1.369 70.237 68.868 -0.001 0.000 1.005 982 T HN 0.572 nan 8.240 nan 0.000 0.442 983 W N 3.341 124.547 121.300 -0.156 0.000 2.322 983 W HA 0.588 5.262 4.660 0.023 0.000 0.307 983 W C -0.259 176.128 176.519 -0.221 0.000 1.220 983 W CA -0.625 56.626 57.345 -0.158 0.000 1.210 983 W CB 0.682 30.061 29.460 -0.135 0.000 1.223 983 W HN 0.366 nan 8.180 nan 0.000 0.511 984 L N 5.784 126.987 121.223 -0.034 0.000 2.333 984 L HA 0.517 4.871 4.340 0.023 0.000 0.280 984 L C -1.000 175.761 176.870 -0.181 0.000 1.004 984 L CA -0.497 54.210 54.840 -0.222 0.000 0.820 984 L CB 0.913 42.697 42.059 -0.458 0.000 1.247 984 L HN 0.313 nan 8.230 nan 0.000 0.416 985 N N 6.234 124.818 118.700 -0.194 0.000 2.442 985 N HA 0.441 5.195 4.740 0.023 0.000 0.274 985 N C -1.318 174.042 175.510 -0.251 0.000 1.002 985 N CA -0.212 52.724 53.050 -0.190 0.000 0.910 985 N CB 2.591 40.997 38.487 -0.135 0.000 1.244 985 N HN 0.638 nan 8.380 nan 0.000 0.492 986 I N 1.772 122.145 120.570 -0.327 0.000 2.382 986 I HA 0.246 4.430 4.170 0.023 0.000 0.286 986 I C -1.083 174.838 176.117 -0.328 0.000 1.002 986 I CA -0.568 60.502 61.300 -0.384 0.000 1.135 986 I CB 0.853 38.433 38.000 -0.701 0.000 1.288 986 I HN 0.233 nan 8.210 nan 0.000 0.448 987 D N 5.270 125.516 120.400 -0.256 0.000 2.217 987 D HA 0.303 4.957 4.640 0.023 0.000 0.243 987 D C 0.848 176.831 176.300 -0.529 0.000 1.054 987 D CA -0.209 53.577 54.000 -0.357 0.000 0.838 987 D CB 2.256 42.951 40.800 -0.175 0.000 1.162 987 D HN 0.710 nan 8.370 nan 0.000 0.472 988 G N 1.363 109.499 108.800 -1.107 0.000 2.403 988 G HA2 -0.039 3.935 3.960 0.023 0.000 0.216 988 G HA3 -0.039 3.935 3.960 0.023 0.000 0.216 988 G C 0.131 174.270 174.900 -1.269 0.000 1.154 988 G CA 0.589 44.890 45.100 -1.331 0.000 0.784 988 G HN 0.394 nan 8.290 nan 0.000 0.538 989 F N -2.189 117.565 119.950 -0.326 0.000 2.601 989 F HA 0.582 5.123 4.527 0.023 0.000 0.309 989 F C -0.538 175.165 175.800 -0.163 0.000 1.089 989 F CA -1.148 56.742 58.000 -0.183 0.000 0.940 989 F CB 2.158 40.970 39.000 -0.313 0.000 1.273 989 F HN 0.026 nan 8.300 nan 0.000 0.450 990 H N 1.962 121.040 119.070 0.013 0.000 2.806 990 H HA 0.547 5.117 4.556 0.023 0.000 0.367 990 H C -0.840 174.512 175.328 0.040 0.000 1.136 990 H CA -0.893 55.138 56.048 -0.028 0.000 1.178 990 H CB 1.897 31.632 29.762 -0.045 0.000 1.718 990 H HN 0.766 nan 8.280 nan 0.000 0.540 991 M N 3.306 122.851 119.600 -0.092 0.000 2.240 991 M HA 0.310 4.804 4.480 0.023 0.000 0.333 991 M C 0.407 176.819 176.300 0.186 0.000 1.110 991 M CA 0.200 55.522 55.300 0.037 0.000 1.173 991 M CB 0.420 32.951 32.600 -0.115 0.000 1.458 991 M HN 0.826 nan 8.290 nan 0.000 0.458 992 G N 2.642 111.528 108.800 0.143 0.000 2.667 992 G HA2 0.296 4.270 3.960 0.023 0.000 0.250 992 G HA3 0.296 4.270 3.960 0.023 0.000 0.250 992 G C 0.593 175.477 174.900 -0.027 0.000 1.212 992 G CA -0.404 44.708 45.100 0.020 0.000 0.874 992 G HN 0.976 nan 8.290 nan 0.000 0.561 993 I N -1.732 118.774 120.570 -0.106 0.000 3.645 993 I HA 0.392 4.576 4.170 0.023 0.000 0.300 993 I C 1.256 177.312 176.117 -0.101 0.000 1.260 993 I CA 0.466 61.672 61.300 -0.157 0.000 1.365 993 I CB -0.572 37.233 38.000 -0.326 0.000 1.077 993 I HN 0.912 nan 8.210 nan 0.000 0.439 994 G N 1.674 110.435 108.800 -0.066 0.000 2.601 994 G HA2 -0.010 3.964 3.960 0.023 0.000 0.261 994 G HA3 -0.010 3.964 3.960 0.023 0.000 0.261 994 G C 0.622 175.523 174.900 0.003 0.000 1.289 994 G CA 0.255 45.356 45.100 0.001 0.000 0.920 994 G HN 1.419 nan 8.290 nan 0.000 0.571 995 G N -2.491 106.322 108.800 0.023 0.000 2.370 995 G HA2 0.001 3.975 3.960 0.023 0.000 0.174 995 G HA3 0.001 3.975 3.960 0.023 0.000 0.174 995 G C 0.665 175.612 174.900 0.079 0.000 1.002 995 G CA 0.889 46.007 45.100 0.030 0.000 0.730 995 G HN 0.981 nan 8.290 nan 0.000 0.497 996 D N 1.260 121.734 120.400 0.124 0.000 2.172 996 D HA 0.068 4.722 4.640 0.023 0.000 0.196 996 D C 1.067 177.393 176.300 0.044 0.000 0.999 996 D CA 2.186 56.320 54.000 0.224 0.000 0.856 996 D CB 0.106 41.051 40.800 0.242 0.000 0.934 996 D HN 0.825 nan 8.370 nan 0.000 0.453 997 D N -3.512 116.714 120.400 -0.290 0.000 2.643 997 D HA 0.357 5.011 4.640 0.023 0.000 0.283 997 D C -0.804 175.012 176.300 -0.806 0.000 1.242 997 D CA -0.741 52.684 54.000 -0.958 0.000 0.863 997 D CB 0.918 40.628 40.800 -1.817 0.000 1.382 997 D HN -0.293 nan 8.370 nan 0.000 0.444 998 S N -0.665 114.420 115.700 -1.024 0.000 2.741 998 S HA 0.242 4.726 4.470 0.023 0.000 0.247 998 S C -0.626 173.946 174.600 -0.045 0.000 1.050 998 S CA -0.671 57.385 58.200 -0.240 0.000 1.025 998 S CB -0.466 62.858 63.200 0.207 0.000 0.897 998 S HN 0.619 nan 8.310 nan 0.000 0.508 999 W N 0.953 122.191 121.300 -0.104 0.000 2.304 999 W HA 0.541 5.214 4.660 0.022 0.000 0.326 999 W C -0.020 176.441 176.519 -0.098 0.000 0.920 999 W CA -0.462 56.804 57.345 -0.132 0.000 1.518 999 W CB -0.518 28.806 29.460 -0.226 0.000 1.112 999 W HN 0.172 nan 8.180 nan 0.000 0.528 1000 S N -0.893 114.687 115.700 -0.200 0.000 2.550 1000 S HA 0.642 5.126 4.470 0.023 0.000 0.270 1000 S C -3.101 171.435 174.600 -0.106 0.000 1.145 1000 S CA -1.687 56.451 58.200 -0.104 0.000 0.852 1000 S CB 1.761 64.925 63.200 -0.060 0.000 1.119 1000 S HN -0.214 nan 8.310 nan 0.000 0.465 1001 P HA 0.166 nan 4.420 nan 0.000 0.261 1001 P C 0.373 177.719 177.300 0.078 0.000 1.183 1001 P CA 0.062 63.175 63.100 0.022 0.000 0.761 1001 P CB 0.607 32.188 31.700 -0.197 0.000 0.785 1002 S N 0.790 116.577 115.700 0.144 0.000 2.780 1002 S HA 0.150 4.634 4.470 0.023 0.000 0.248 1002 S C 0.188 174.878 174.600 0.151 0.000 1.036 1002 S CA -0.323 57.934 58.200 0.096 0.000 1.061 1002 S CB -0.249 62.954 63.200 0.005 0.000 1.037 1002 S HN 0.110 nan 8.310 nan 0.000 0.584 1003 V N 2.759 122.807 119.914 0.223 0.000 2.488 1003 V HA 0.386 4.520 4.120 0.023 0.000 0.277 1003 V C 0.810 177.059 176.094 0.258 0.000 1.046 1003 V CA -0.312 62.104 62.300 0.192 0.000 0.986 1003 V CB 1.103 32.985 31.823 0.099 0.000 0.989 1003 V HN 0.514 nan 8.190 nan 0.000 0.475 1004 S N 3.885 119.751 115.700 0.277 0.000 2.568 1004 S HA 0.266 4.750 4.470 0.023 0.000 0.282 1004 S C 1.546 176.290 174.600 0.240 0.000 1.338 1004 S CA 0.079 58.433 58.200 0.257 0.000 1.045 1004 S CB 1.080 64.460 63.200 0.300 0.000 0.873 1004 S HN 1.001 nan 8.310 nan 0.000 0.516 1005 A N 3.688 126.606 122.820 0.163 0.000 1.958 1005 A HA -0.172 4.162 4.320 0.023 0.000 0.221 1005 A C 2.020 179.643 177.584 0.066 0.000 1.178 1005 A CA 1.954 54.075 52.037 0.139 0.000 0.642 1005 A CB -0.699 18.360 19.000 0.098 0.000 0.816 1005 A HN 0.966 nan 8.150 nan 0.000 0.453 1006 E N -0.893 119.280 120.200 -0.044 0.000 2.409 1006 E HA -0.131 4.233 4.350 0.023 0.000 0.198 1006 E C 0.797 177.155 176.600 -0.403 0.000 1.024 1006 E CA 0.831 57.081 56.400 -0.249 0.000 0.861 1006 E CB -0.437 29.029 29.700 -0.391 0.000 0.788 1006 E HN 0.703 nan 8.360 nan 0.000 0.521 1007 F N 1.025 121.030 119.950 0.092 0.000 2.661 1007 F HA 0.269 4.809 4.527 0.023 0.000 0.306 1007 F C 0.901 176.744 175.800 0.073 0.000 1.094 1007 F CA -0.557 57.498 58.000 0.091 0.000 1.254 1007 F CB 0.587 39.640 39.000 0.089 0.000 1.040 1007 F HN -0.196 nan 8.300 nan 0.000 0.562 1008 Q N 1.325 121.247 119.800 0.203 0.000 2.230 1008 Q HA 0.384 4.738 4.340 0.023 0.000 0.248 1008 Q C -0.154 175.899 176.000 0.088 0.000 0.915 1008 Q CA -0.492 55.410 55.803 0.165 0.000 0.900 1008 Q CB 1.876 30.805 28.738 0.318 0.000 1.229 1008 Q HN 0.260 nan 8.270 nan 0.000 0.439 1009 L N 2.479 123.737 121.223 0.059 0.000 2.399 1009 L HA 0.099 4.453 4.340 0.023 0.000 0.257 1009 L C 0.717 177.564 176.870 -0.038 0.000 1.236 1009 L CA -0.038 54.816 54.840 0.023 0.000 1.144 1009 L CB -0.369 41.603 42.059 -0.146 0.000 1.379 1009 L HN 0.685 nan 8.230 nan 0.000 0.414 1010 S N -1.145 114.426 115.700 -0.216 0.000 2.554 1010 S HA 0.135 4.619 4.470 0.023 0.000 0.226 1010 S C 1.676 176.172 174.600 -0.173 0.000 0.980 1010 S CA 0.181 58.049 58.200 -0.553 0.000 0.939 1010 S CB 0.688 63.465 63.200 -0.705 0.000 0.832 1010 S HN 0.514 nan 8.310 nan 0.000 0.486 1011 A N 1.453 124.219 122.820 -0.090 0.000 2.121 1011 A HA 0.434 4.768 4.320 0.023 0.000 0.218 1011 A C 2.097 179.525 177.584 -0.260 0.000 1.154 1011 A CA 1.276 53.139 52.037 -0.291 0.000 0.679 1011 A CB -1.267 17.336 19.000 -0.662 0.000 0.795 1011 A HN 1.459 nan 8.150 nan 0.000 0.458 1012 G N -1.355 107.389 108.800 -0.093 0.000 2.900 1012 G HA2 -0.291 3.683 3.960 0.023 0.000 0.223 1012 G HA3 -0.291 3.683 3.960 0.023 0.000 0.223 1012 G C 0.456 175.332 174.900 -0.039 0.000 1.293 1012 G CA 0.398 45.486 45.100 -0.021 0.000 0.792 1012 G HN 0.689 nan 8.290 nan 0.000 0.527 1013 R N -0.457 119.906 120.500 -0.229 0.000 2.561 1013 R HA 0.682 5.036 4.340 0.023 0.000 0.297 1013 R C -1.592 174.465 176.300 -0.405 0.000 0.969 1013 R CA -0.579 55.436 56.100 -0.142 0.000 0.879 1013 R CB 1.586 31.838 30.300 -0.080 0.000 1.178 1013 R HN 0.267 nan 8.270 nan 0.000 0.445 1014 Y N 0.358 120.657 120.300 -0.001 0.000 2.477 1014 Y HA 0.349 4.913 4.550 0.023 0.000 0.347 1014 Y C -0.428 175.625 175.900 0.254 0.000 0.981 1014 Y CA -0.801 57.274 58.100 -0.041 0.000 1.033 1014 Y CB 2.200 40.514 38.460 -0.245 0.000 1.245 1014 Y HN 0.589 nan 8.280 nan 0.000 0.455 1015 H N 2.638 121.988 119.070 0.467 0.000 2.679 1015 H HA 0.629 5.199 4.556 0.023 0.000 0.360 1015 H C -1.759 173.954 175.328 0.642 0.000 1.105 1015 H CA -0.883 55.419 56.048 0.422 0.000 1.196 1015 H CB 1.315 31.217 29.762 0.234 0.000 1.636 1015 H HN 0.580 nan 8.280 nan 0.000 0.531 1016 Y N 1.398 121.565 120.300 -0.223 0.000 2.609 1016 Y HA 0.468 5.033 4.550 0.023 0.000 0.336 1016 Y C -2.019 173.708 175.900 -0.290 0.000 1.129 1016 Y CA -1.124 56.888 58.100 -0.146 0.000 1.040 1016 Y CB 1.437 39.868 38.460 -0.048 0.000 1.310 1016 Y HN 0.741 nan 8.280 nan 0.000 0.460 1017 Q N 3.052 122.856 119.800 0.007 0.000 2.340 1017 Q HA 0.792 5.146 4.340 0.023 0.000 0.276 1017 Q C -2.106 173.981 176.000 0.145 0.000 1.048 1017 Q CA -1.036 54.751 55.803 -0.027 0.000 0.832 1017 Q CB 3.249 32.002 28.738 0.025 0.000 1.373 1017 Q HN 0.824 nan 8.270 nan 0.000 0.409 1018 L N 1.045 122.342 121.223 0.122 0.000 2.393 1018 L HA 0.759 5.113 4.340 0.023 0.000 0.260 1018 L C -0.952 176.038 176.870 0.200 0.000 1.002 1018 L CA -1.352 53.605 54.840 0.195 0.000 0.818 1018 L CB 2.617 44.771 42.059 0.159 0.000 1.369 1018 L HN 0.452 nan 8.230 nan 0.000 0.412 1019 V N 0.803 120.860 119.914 0.239 0.000 2.448 1019 V HA 0.386 4.520 4.120 0.023 0.000 0.295 1019 V C -1.224 175.045 176.094 0.292 0.000 1.025 1019 V CA -0.402 62.042 62.300 0.240 0.000 0.859 1019 V CB 2.078 34.016 31.823 0.191 0.000 0.988 1019 V HN 0.589 nan 8.190 nan 0.000 0.431 1020 W N 7.031 128.401 121.300 0.116 0.000 2.376 1020 W HA 0.692 5.366 4.660 0.024 0.000 0.312 1020 W C -0.201 176.320 176.519 0.003 0.000 1.060 1020 W CA -1.043 56.284 57.345 -0.030 0.000 1.221 1020 W CB 1.417 30.921 29.460 0.073 0.000 1.281 1020 W HN 0.856 nan 8.180 nan 0.000 0.456 1021 C N 3.766 123.295 119.300 0.383 0.000 3.318 1021 C HA 0.737 5.211 4.460 0.023 0.000 0.329 1021 C C -0.427 174.695 174.990 0.221 0.000 1.449 1021 C CA -0.865 58.327 59.018 0.289 0.000 1.397 1021 C CB 1.560 29.409 27.740 0.182 0.000 1.810 1021 C HN 0.718 nan 8.230 nan 0.000 0.449 1022 Q N 1.358 121.240 119.800 0.136 0.000 2.226 1022 Q HA 0.666 5.020 4.340 0.023 0.000 0.256 1022 Q C -0.750 175.259 176.000 0.014 0.000 0.962 1022 Q CA -0.330 55.502 55.803 0.049 0.000 0.887 1022 Q CB 1.375 30.114 28.738 0.001 0.000 1.282 1022 Q HN 0.823 nan 8.270 nan 0.000 0.449 1023 K N 0.000 120.379 120.400 -0.035 0.000 2.780 1023 K HA 0.000 4.334 4.320 0.023 0.000 0.191 1023 K CA 0.000 56.269 56.287 -0.030 0.000 0.838 1023 K CB 0.000 32.485 32.500 -0.026 0.000 1.064 1023 K HN 0.000 nan 8.250 nan 0.000 0.543