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 3i3e_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 LILCEYAHAA 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 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 0.000 176.089 176.300 -0.351 0.000 0.893 13 R CA 0.000 55.964 56.100 -0.227 0.000 0.921 13 R CB 0.000 30.168 30.300 -0.220 0.000 0.687 14 R N 2.065 122.248 120.500 -0.528 0.000 3.092 14 R HA -0.161 4.192 4.340 0.022 0.000 0.245 14 R C -0.276 175.502 176.300 -0.870 0.000 0.881 14 R CA 0.869 56.264 56.100 -1.174 0.000 0.614 14 R CB -1.223 28.511 30.300 -0.944 0.000 1.128 14 R HN 0.278 nan 8.270 nan 0.000 0.483 15 D N -0.058 120.018 120.400 -0.540 0.000 2.309 15 D HA -0.170 4.483 4.640 0.022 0.000 0.212 15 D C 1.555 177.735 176.300 -0.199 0.000 0.968 15 D CA 1.557 55.307 54.000 -0.417 0.000 0.882 15 D CB -0.084 40.297 40.800 -0.698 0.000 0.918 15 D HN 0.736 nan 8.370 nan 0.000 0.503 16 W N 1.334 122.613 121.300 -0.035 0.000 3.292 16 W HA 0.228 4.901 4.660 0.022 0.000 0.263 16 W C 0.350 176.952 176.519 0.139 0.000 1.318 16 W CA -0.316 57.128 57.345 0.165 0.000 1.663 16 W CB -0.202 29.405 29.460 0.245 0.000 1.114 16 W HN -0.209 nan 8.180 nan 0.000 0.706 17 E N 1.238 121.336 120.200 -0.169 0.000 3.729 17 E HA 0.052 4.416 4.350 0.022 0.000 0.195 17 E C -0.877 175.582 176.600 -0.235 0.000 1.005 17 E CA -0.226 56.087 56.400 -0.145 0.000 1.356 17 E CB -0.159 29.426 29.700 -0.193 0.000 1.138 17 E HN 0.038 nan 8.360 nan 0.000 0.450 18 N N 1.177 119.769 118.700 -0.180 0.000 2.629 18 N HA 0.114 4.868 4.740 0.022 0.000 0.277 18 N C -2.333 173.035 175.510 -0.236 0.000 1.188 18 N CA -1.756 51.149 53.050 -0.242 0.000 0.835 18 N CB 1.512 39.864 38.487 -0.225 0.000 1.420 18 N HN -0.158 nan 8.380 nan 0.000 0.542 19 P HA 0.043 nan 4.420 nan 0.000 0.234 19 P C 1.020 178.093 177.300 -0.379 0.000 1.167 19 P CA 0.594 63.375 63.100 -0.533 0.000 0.763 19 P CB 0.185 31.095 31.700 -1.317 0.000 0.835 20 G N -0.165 108.451 108.800 -0.306 0.000 2.623 20 G HA2 0.041 4.014 3.960 0.022 0.000 0.214 20 G HA3 0.041 4.014 3.960 0.022 0.000 0.214 20 G C 0.428 175.250 174.900 -0.130 0.000 1.138 20 G CA 0.174 45.145 45.100 -0.214 0.000 0.794 20 G HN 0.211 nan 8.290 nan 0.000 0.535 21 V N 1.804 121.657 119.914 -0.103 0.000 2.304 21 V HA 0.288 4.421 4.120 0.022 0.000 0.278 21 V C 0.869 177.013 176.094 0.084 0.000 1.018 21 V CA 0.138 62.426 62.300 -0.021 0.000 0.814 21 V CB 1.076 32.865 31.823 -0.058 0.000 1.021 21 V HN 0.323 nan 8.190 nan 0.000 0.440 22 T N 0.520 115.124 114.554 0.082 0.000 3.054 22 T HA 0.373 4.736 4.350 0.022 0.000 0.255 22 T C 0.272 175.034 174.700 0.104 0.000 1.035 22 T CA 0.102 62.263 62.100 0.102 0.000 0.941 22 T CB 0.270 69.149 68.868 0.019 0.000 1.026 22 T HN 0.701 nan 8.240 nan 0.000 0.533 23 Q N 0.220 120.128 119.800 0.179 0.000 2.848 23 Q HA 0.636 4.990 4.340 0.022 0.000 0.288 23 Q C -2.353 173.788 176.000 0.235 0.000 0.907 23 Q CA -1.012 54.895 55.803 0.173 0.000 0.792 23 Q CB 0.625 29.377 28.738 0.024 0.000 1.534 23 Q HN 0.224 nan 8.270 nan 0.000 0.419 24 L N 1.804 123.193 121.223 0.277 0.000 2.476 24 L HA 0.591 4.945 4.340 0.022 0.000 0.269 24 L C -0.671 176.334 176.870 0.226 0.000 0.965 24 L CA -0.852 54.155 54.840 0.279 0.000 0.845 24 L CB 1.891 44.228 42.059 0.464 0.000 1.259 24 L HN 0.851 nan 8.230 nan 0.000 0.403 25 N N 1.029 119.830 118.700 0.169 0.000 2.741 25 N HA -0.203 4.551 4.740 0.022 0.000 0.251 25 N C 0.154 175.775 175.510 0.186 0.000 1.112 25 N CA 0.811 53.950 53.050 0.149 0.000 0.750 25 N CB -0.758 37.768 38.487 0.066 0.000 1.119 25 N HN 0.653 nan 8.380 nan 0.000 0.561 26 R N 0.812 121.346 120.500 0.057 0.000 2.441 26 R HA 0.409 4.763 4.340 0.022 0.000 0.284 26 R C 0.521 176.706 176.300 -0.192 0.000 1.070 26 R CA -0.373 55.548 56.100 -0.297 0.000 1.047 26 R CB 0.571 30.674 30.300 -0.328 0.000 1.016 26 R HN 0.123 nan 8.270 nan 0.000 0.477 27 L N 2.941 124.019 121.223 -0.241 0.000 2.453 27 L HA 0.310 4.663 4.340 0.022 0.000 0.261 27 L C 0.648 177.471 176.870 -0.079 0.000 1.179 27 L CA -0.565 54.219 54.840 -0.092 0.000 0.813 27 L CB 0.859 42.895 42.059 -0.039 0.000 1.110 27 L HN 0.765 nan 8.230 nan 0.000 0.466 28 A N 1.415 124.230 122.820 -0.010 0.000 2.483 28 A HA 0.483 4.817 4.320 0.022 0.000 0.238 28 A C 0.315 177.891 177.584 -0.014 0.000 1.070 28 A CA 0.025 52.059 52.037 -0.006 0.000 0.770 28 A CB 0.167 19.189 19.000 0.037 0.000 1.008 28 A HN 0.797 nan 8.150 nan 0.000 0.497 29 A N 1.315 124.077 122.820 -0.097 0.000 2.332 29 A HA 0.683 5.017 4.320 0.022 0.000 0.258 29 A C 0.104 177.564 177.584 -0.206 0.000 1.087 29 A CA 0.503 52.396 52.037 -0.240 0.000 0.802 29 A CB -0.047 18.826 19.000 -0.211 0.000 1.042 29 A HN 1.979 nan 8.150 nan 0.000 0.489 30 H N -2.621 116.302 119.070 -0.245 0.000 2.935 30 H HA 0.607 5.176 4.556 0.022 0.000 0.297 30 H C -3.457 171.574 175.328 -0.496 0.000 1.423 30 H CA -1.798 54.033 56.048 -0.362 0.000 1.161 30 H CB -0.121 29.347 29.762 -0.490 0.000 1.841 30 H HN 0.370 nan 8.280 nan 0.000 0.506 31 P HA 0.198 nan 4.420 nan 0.000 0.272 31 P C -2.560 174.552 177.300 -0.313 0.000 1.240 31 P CA -1.171 61.702 63.100 -0.378 0.000 0.791 31 P CB -0.146 31.220 31.700 -0.556 0.000 0.978 32 P HA 0.011 nan 4.420 nan 0.000 0.261 32 P C -0.894 176.566 177.300 0.267 0.000 1.183 32 P CA 1.105 64.236 63.100 0.052 0.000 0.761 32 P CB -0.061 31.720 31.700 0.136 0.000 0.785 33 F N 1.853 121.892 119.950 0.148 0.000 2.538 33 F HA 0.635 5.176 4.527 0.022 0.000 0.325 33 F C 0.921 176.645 175.800 -0.127 0.000 1.066 33 F CA -1.361 56.662 58.000 0.038 0.000 0.946 33 F CB 1.433 40.405 39.000 -0.047 0.000 1.199 33 F HN 0.299 nan 8.300 nan 0.000 0.473 34 A N 0.173 122.906 122.820 -0.146 0.000 2.591 34 A HA 0.319 4.653 4.320 0.022 0.000 0.204 34 A C 0.637 177.896 177.584 -0.542 0.000 1.410 34 A CA 0.614 52.326 52.037 -0.542 0.000 1.065 34 A CB -0.341 17.857 19.000 -1.338 0.000 1.362 34 A HN 0.887 nan 8.150 nan 0.000 0.566 35 S N 0.566 116.056 115.700 -0.350 0.000 3.524 35 S HA -0.150 4.333 4.470 0.022 0.000 0.377 35 S C -0.034 174.480 174.600 -0.143 0.000 0.949 35 S CA 0.436 58.501 58.200 -0.225 0.000 1.264 35 S CB -1.578 61.497 63.200 -0.208 0.000 0.918 35 S HN 0.452 nan 8.310 nan 0.000 0.517 36 W N 1.966 123.246 121.300 -0.032 0.000 2.158 36 W HA 0.257 4.930 4.660 0.022 0.000 0.339 36 W C 1.309 177.806 176.519 -0.037 0.000 1.294 36 W CA -0.587 56.744 57.345 -0.023 0.000 1.231 36 W CB 0.259 29.707 29.460 -0.020 0.000 1.143 36 W HN 0.345 nan 8.180 nan 0.000 0.571 37 R N 2.049 122.671 120.500 0.204 0.000 2.586 37 R HA 0.099 4.452 4.340 0.022 0.000 0.336 37 R C -0.135 176.218 176.300 0.087 0.000 1.060 37 R CA -0.160 56.001 56.100 0.102 0.000 1.079 37 R CB -0.301 30.029 30.300 0.049 0.000 1.317 37 R HN 0.361 nan 8.270 nan 0.000 0.568 38 N N -0.097 118.669 118.700 0.110 0.000 2.478 38 N HA 0.098 4.851 4.740 0.022 0.000 0.291 38 N C -0.094 175.382 175.510 -0.057 0.000 1.090 38 N CA 0.008 53.071 53.050 0.022 0.000 0.911 38 N CB 1.757 40.255 38.487 0.018 0.000 1.546 38 N HN -0.248 nan 8.380 nan 0.000 0.500 39 S N 2.261 117.908 115.700 -0.088 0.000 2.383 39 S HA -0.175 4.308 4.470 0.022 0.000 0.229 39 S C 1.409 175.835 174.600 -0.290 0.000 1.030 39 S CA 1.284 59.389 58.200 -0.159 0.000 1.002 39 S CB -0.009 63.126 63.200 -0.107 0.000 0.829 39 S HN 0.742 nan 8.310 nan 0.000 0.467 40 E N 1.549 121.591 120.200 -0.263 0.000 2.106 40 E HA -0.130 4.234 4.350 0.022 0.000 0.192 40 E C 1.924 178.298 176.600 -0.376 0.000 0.984 40 E CA 1.102 57.307 56.400 -0.324 0.000 0.806 40 E CB -0.175 29.389 29.700 -0.226 0.000 0.750 40 E HN 0.308 nan 8.360 nan 0.000 0.458 41 E N 0.100 120.088 120.200 -0.353 0.000 2.110 41 E HA -0.155 4.209 4.350 0.022 0.000 0.193 41 E C 1.962 177.952 176.600 -1.016 0.000 0.988 41 E CA 1.139 57.280 56.400 -0.432 0.000 0.804 41 E CB -0.405 29.187 29.700 -0.180 0.000 0.745 41 E HN 0.385 nan 8.360 nan 0.000 0.458 42 A N 1.430 123.474 122.820 -1.294 0.000 1.898 42 A HA -0.161 4.173 4.320 0.022 0.000 0.216 42 A C 2.226 179.218 177.584 -0.987 0.000 1.181 42 A CA 1.488 52.437 52.037 -1.814 0.000 0.620 42 A CB -0.446 18.020 19.000 -0.889 0.000 0.819 42 A HN 0.122 nan 8.150 nan 0.000 0.442 43 R N -0.085 120.024 120.500 -0.652 0.000 2.081 43 R HA -0.130 4.224 4.340 0.022 0.000 0.235 43 R C 1.936 177.995 176.300 -0.403 0.000 1.131 43 R CA 2.067 57.854 56.100 -0.521 0.000 0.960 43 R CB -0.452 29.427 30.300 -0.701 0.000 0.856 43 R HN 0.609 nan 8.270 nan 0.000 0.436 44 T N -2.479 111.842 114.554 -0.388 0.000 3.129 44 T HA 0.024 4.387 4.350 0.022 0.000 0.251 44 T C 0.274 174.879 174.700 -0.159 0.000 1.117 44 T CA 0.511 62.469 62.100 -0.237 0.000 1.034 44 T CB -0.037 68.715 68.868 -0.193 0.000 0.968 44 T HN 0.377 nan 8.240 nan 0.000 0.526 45 D N 0.846 121.104 120.400 -0.238 0.000 2.751 45 D HA -0.169 4.484 4.640 0.022 0.000 0.233 45 D C 0.072 176.473 176.300 0.170 0.000 1.149 45 D CA 0.478 54.478 54.000 -0.001 0.000 0.682 45 D CB -1.032 39.826 40.800 0.096 0.000 1.068 45 D HN 0.579 nan 8.370 nan 0.000 0.429 46 R N -0.160 120.412 120.500 0.120 0.000 2.546 46 R HA 0.509 4.862 4.340 0.022 0.000 0.266 46 R C -2.118 174.421 176.300 0.399 0.000 1.086 46 R CA -1.592 54.626 56.100 0.196 0.000 1.160 46 R CB 0.370 30.725 30.300 0.091 0.000 1.138 46 R HN 0.045 nan 8.270 nan 0.000 0.567 47 P HA -0.079 nan 4.420 nan 0.000 0.265 47 P C -0.916 176.548 177.300 0.273 0.000 1.187 47 P CA 0.510 63.750 63.100 0.233 0.000 0.766 47 P CB 0.649 32.438 31.700 0.150 0.000 0.820 48 S N 1.949 117.719 115.700 0.118 0.000 2.451 48 S HA 0.126 4.610 4.470 0.022 0.000 0.301 48 S C 0.958 175.582 174.600 0.041 0.000 1.116 48 S CA -0.568 57.627 58.200 -0.008 0.000 1.093 48 S CB 0.465 63.347 63.200 -0.530 0.000 1.017 48 S HN 0.241 nan 8.310 nan 0.000 0.482 49 Q N 2.818 122.674 119.800 0.092 0.000 2.364 49 Q HA -0.040 4.313 4.340 0.022 0.000 0.207 49 Q C 0.932 177.055 176.000 0.206 0.000 0.970 49 Q CA 1.127 57.017 55.803 0.145 0.000 0.888 49 Q CB -0.081 28.740 28.738 0.139 0.000 0.951 49 Q HN 0.699 nan 8.270 nan 0.000 0.469 50 Q N -0.339 119.493 119.800 0.053 0.000 2.403 50 Q HA 0.100 4.453 4.340 0.022 0.000 0.203 50 Q C -0.195 175.851 176.000 0.077 0.000 0.932 50 Q CA 0.166 55.934 55.803 -0.058 0.000 0.945 50 Q CB 0.384 29.003 28.738 -0.199 0.000 1.045 50 Q HN 0.042 nan 8.270 nan 0.000 0.511 51 L N 0.971 122.264 121.223 0.116 0.000 2.366 51 L HA 0.399 4.753 4.340 0.022 0.000 0.266 51 L C -1.100 175.868 176.870 0.164 0.000 1.010 51 L CA -0.325 54.588 54.840 0.121 0.000 0.879 51 L CB 0.823 42.867 42.059 -0.024 0.000 1.228 51 L HN -0.114 nan 8.230 nan 0.000 0.439 52 R N 2.244 122.881 120.500 0.228 0.000 2.428 52 R HA 0.561 4.914 4.340 0.022 0.000 0.294 52 R C -0.289 176.036 176.300 0.041 0.000 1.000 52 R CA -0.565 55.600 56.100 0.108 0.000 0.960 52 R CB 1.761 32.071 30.300 0.016 0.000 1.076 52 R HN 0.631 nan 8.270 nan 0.000 0.475 53 S N 2.251 117.963 115.700 0.021 0.000 2.525 53 S HA 0.285 4.768 4.470 0.022 0.000 0.278 53 S C 0.556 175.149 174.600 -0.011 0.000 1.234 53 S CA -0.685 57.517 58.200 0.004 0.000 1.058 53 S CB 0.584 63.797 63.200 0.023 0.000 0.983 53 S HN 0.579 nan 8.310 nan 0.000 0.495 54 L N 3.411 124.626 121.223 -0.015 0.000 2.857 54 L HA 0.309 4.662 4.340 0.022 0.000 0.249 54 L C 0.042 177.050 176.870 0.230 0.000 1.172 54 L CA -0.375 54.478 54.840 0.023 0.000 0.980 54 L CB -0.230 41.784 42.059 -0.075 0.000 1.299 54 L HN 0.525 nan 8.230 nan 0.000 0.535 55 N N 1.249 120.025 118.700 0.126 0.000 2.453 55 N HA 0.489 5.243 4.740 0.022 0.000 0.253 55 N C 0.647 176.267 175.510 0.183 0.000 1.252 55 N CA 0.966 54.087 53.050 0.118 0.000 0.917 55 N CB 1.218 39.719 38.487 0.024 0.000 1.117 55 N HN 0.290 nan 8.380 nan 0.000 0.442 56 G N 0.273 109.193 108.800 0.201 0.000 2.247 56 G HA2 -0.071 3.903 3.960 0.022 0.000 0.229 56 G HA3 -0.071 3.903 3.960 0.022 0.000 0.229 56 G C -1.632 173.460 174.900 0.320 0.000 1.345 56 G CA -0.811 44.413 45.100 0.207 0.000 1.100 56 G HN 0.471 nan 8.290 nan 0.000 0.473 57 E N 0.034 120.405 120.200 0.286 0.000 2.223 57 E HA 0.458 4.821 4.350 0.022 0.000 0.282 57 E C -0.963 175.902 176.600 0.440 0.000 1.046 57 E CA -0.113 56.471 56.400 0.306 0.000 0.857 57 E CB 1.116 30.919 29.700 0.172 0.000 1.055 57 E HN 0.357 nan 8.360 nan 0.000 0.409 58 W N 1.537 122.927 121.300 0.150 0.000 2.894 58 W HA 0.396 5.070 4.660 0.022 0.000 0.345 58 W C 0.196 176.843 176.519 0.214 0.000 1.152 58 W CA -0.760 56.705 57.345 0.201 0.000 1.089 58 W CB 0.787 30.424 29.460 0.294 0.000 1.454 58 W HN 0.185 nan 8.180 nan 0.000 0.589 59 R N 1.379 122.161 120.500 0.470 0.000 2.474 59 R HA 0.592 4.945 4.340 0.022 0.000 0.295 59 R C -1.504 175.043 176.300 0.410 0.000 0.980 59 R CA -0.912 55.395 56.100 0.346 0.000 0.934 59 R CB 1.217 31.666 30.300 0.248 0.000 1.101 59 R HN 0.471 nan 8.270 nan 0.000 0.469 60 F N 0.388 120.377 119.950 0.065 0.000 2.581 60 F HA 0.628 5.168 4.527 0.022 0.000 0.311 60 F C -1.534 174.093 175.800 -0.288 0.000 1.113 60 F CA -0.588 57.305 58.000 -0.178 0.000 0.935 60 F CB 1.993 40.795 39.000 -0.330 0.000 1.232 60 F HN 0.609 nan 8.300 nan 0.000 0.445 61 A N 4.617 126.632 122.820 -1.342 0.000 2.398 61 A HA 0.557 4.890 4.320 0.022 0.000 0.301 61 A C -2.378 174.215 177.584 -1.652 0.000 1.041 61 A CA -0.506 50.836 52.037 -1.158 0.000 0.711 61 A CB 0.690 19.292 19.000 -0.664 0.000 1.240 61 A HN 0.937 nan 8.150 nan 0.000 0.420 62 W N 2.970 123.364 121.300 -1.508 0.000 2.417 62 W HA 0.738 5.411 4.660 0.022 0.000 0.317 62 W C -1.803 174.031 176.519 -1.141 0.000 1.121 62 W CA -0.292 56.326 57.345 -1.212 0.000 1.208 62 W CB 0.933 29.956 29.460 -0.727 0.000 1.253 62 W HN 0.485 nan 8.180 nan 0.000 0.533 63 F N 6.604 125.827 119.950 -1.211 0.000 2.576 63 F HA 0.362 4.902 4.527 0.022 0.000 0.313 63 F C -1.196 173.696 175.800 -1.514 0.000 1.078 63 F CA -2.340 55.064 58.000 -0.994 0.000 0.921 63 F CB 1.922 40.511 39.000 -0.686 0.000 1.232 63 F HN 0.231 nan 8.300 nan 0.000 0.459 64 P HA 0.098 nan 4.420 nan 0.000 0.233 64 P C -0.332 176.815 177.300 -0.256 0.000 1.167 64 P CA 0.884 63.681 63.100 -0.506 0.000 0.770 64 P CB 0.731 32.410 31.700 -0.035 0.000 0.837 65 A N -0.371 122.306 122.820 -0.238 0.000 2.583 65 A HA 0.468 4.802 4.320 0.022 0.000 0.292 65 A C -2.453 175.016 177.584 -0.192 0.000 1.045 65 A CA -0.900 51.052 52.037 -0.141 0.000 0.672 65 A CB 0.341 19.327 19.000 -0.023 0.000 1.283 65 A HN -0.277 nan 8.150 nan 0.000 0.419 66 P HA -0.143 nan 4.420 nan 0.000 0.218 66 P C 0.679 177.881 177.300 -0.163 0.000 1.149 66 P CA 1.557 64.523 63.100 -0.224 0.000 0.817 66 P CB 0.256 31.793 31.700 -0.272 0.000 0.785 67 E N 0.245 120.406 120.200 -0.064 0.000 2.333 67 E HA -0.048 4.315 4.350 0.022 0.000 0.198 67 E C 2.073 178.594 176.600 -0.131 0.000 1.007 67 E CA 1.177 57.547 56.400 -0.050 0.000 0.845 67 E CB -0.811 28.897 29.700 0.013 0.000 0.766 67 E HN 0.277 nan 8.360 nan 0.000 0.507 68 A N 0.275 122.977 122.820 -0.197 0.000 2.218 68 A HA 0.089 4.422 4.320 0.022 0.000 0.209 68 A C 0.759 177.990 177.584 -0.589 0.000 1.168 68 A CA -0.127 51.769 52.037 -0.235 0.000 0.804 68 A CB 0.304 19.256 19.000 -0.081 0.000 0.834 68 A HN 0.044 nan 8.150 nan 0.000 0.482 69 V N 3.597 123.033 119.914 -0.795 0.000 2.479 69 V HA 0.165 4.298 4.120 0.022 0.000 0.281 69 V C -1.929 173.796 176.094 -0.615 0.000 1.031 69 V CA -1.365 60.226 62.300 -1.182 0.000 1.038 69 V CB 0.495 31.738 31.823 -0.966 0.000 0.981 69 V HN 0.380 nan 8.190 nan 0.000 0.478 70 P HA 0.174 nan 4.420 nan 0.000 0.271 70 P C 0.521 177.752 177.300 -0.115 0.000 1.216 70 P CA -0.281 62.692 63.100 -0.212 0.000 0.776 70 P CB 1.101 32.733 31.700 -0.113 0.000 0.881 71 E N 1.563 121.710 120.200 -0.089 0.000 2.160 71 E HA -0.143 4.220 4.350 0.022 0.000 0.195 71 E C 1.833 178.396 176.600 -0.061 0.000 0.991 71 E CA 1.654 58.007 56.400 -0.078 0.000 0.810 71 E CB -0.699 28.962 29.700 -0.065 0.000 0.742 71 E HN 0.625 nan 8.360 nan 0.000 0.466 72 S N 0.345 116.029 115.700 -0.026 0.000 2.419 72 S HA -0.189 4.295 4.470 0.022 0.000 0.233 72 S C 1.760 176.358 174.600 -0.003 0.000 1.016 72 S CA 0.835 59.025 58.200 -0.016 0.000 0.974 72 S CB -0.756 62.448 63.200 0.006 0.000 0.786 72 S HN 0.475 nan 8.310 nan 0.000 0.492 73 W N 2.405 123.609 121.300 -0.161 0.000 2.364 73 W HA 0.008 4.681 4.660 0.022 0.000 0.281 73 W C 1.576 177.982 176.519 -0.188 0.000 1.219 73 W CA 0.969 58.219 57.345 -0.159 0.000 1.220 73 W CB -0.367 28.971 29.460 -0.205 0.000 1.127 73 W HN 0.289 nan 8.180 nan 0.000 0.556 74 L N 0.244 121.205 121.223 -0.437 0.000 2.217 74 L HA -0.131 4.222 4.340 0.022 0.000 0.211 74 L C 2.407 179.036 176.870 -0.401 0.000 1.107 74 L CA 1.100 55.544 54.840 -0.660 0.000 0.783 74 L CB -0.662 41.044 42.059 -0.589 0.000 0.919 74 L HN -0.068 nan 8.230 nan 0.000 0.442 75 E N -0.606 119.446 120.200 -0.246 0.000 2.166 75 E HA 0.021 4.384 4.350 0.022 0.000 0.192 75 E C 0.608 177.128 176.600 -0.134 0.000 0.967 75 E CA 0.685 56.996 56.400 -0.148 0.000 0.840 75 E CB 0.466 30.113 29.700 -0.087 0.000 0.795 75 E HN 0.525 nan 8.360 nan 0.000 0.470 76 C N -0.537 118.685 119.300 -0.130 0.000 3.288 76 C HA 0.503 4.977 4.460 0.022 0.000 0.318 76 C C -0.361 174.606 174.990 -0.040 0.000 1.356 76 C CA -1.513 57.456 59.018 -0.081 0.000 1.359 76 C CB 1.017 28.734 27.740 -0.038 0.000 1.688 76 C HN 0.121 nan 8.230 nan 0.000 0.467 77 D N 0.590 120.990 120.400 -0.000 0.000 2.525 77 D HA 0.292 4.946 4.640 0.022 0.000 0.235 77 D C -0.249 176.117 176.300 0.110 0.000 1.137 77 D CA 0.445 54.489 54.000 0.073 0.000 0.868 77 D CB 0.467 41.302 40.800 0.059 0.000 1.180 77 D HN 0.586 nan 8.370 nan 0.000 0.465 78 L N 5.661 126.993 121.223 0.181 0.000 2.305 78 L HA 0.242 4.595 4.340 0.022 0.000 0.281 78 L C -1.317 175.609 176.870 0.092 0.000 1.085 78 L CA -1.597 53.333 54.840 0.149 0.000 0.813 78 L CB 1.268 43.440 42.059 0.188 0.000 1.157 78 L HN 0.498 nan 8.230 nan 0.000 0.436 79 P HA -0.178 nan 4.420 nan 0.000 0.216 79 P C 0.743 178.067 177.300 0.040 0.000 1.150 79 P CA 1.151 64.280 63.100 0.048 0.000 0.843 79 P CB 0.288 32.012 31.700 0.039 0.000 0.787 80 E N -0.519 119.700 120.200 0.032 0.000 2.418 80 E HA 0.079 4.442 4.350 0.022 0.000 0.197 80 E C 0.906 177.505 176.600 -0.002 0.000 1.026 80 E CA 0.177 56.581 56.400 0.008 0.000 0.862 80 E CB -0.628 29.062 29.700 -0.017 0.000 0.799 80 E HN 0.212 nan 8.360 nan 0.000 0.518 81 A N 1.297 124.125 122.820 0.013 0.000 2.425 81 A HA 0.118 4.451 4.320 0.022 0.000 0.242 81 A C -0.026 177.601 177.584 0.072 0.000 1.077 81 A CA -0.204 51.842 52.037 0.015 0.000 0.781 81 A CB 0.343 19.378 19.000 0.058 0.000 1.020 81 A HN -0.045 nan 8.150 nan 0.000 0.494 82 D N 0.021 120.492 120.400 0.118 0.000 2.384 82 D HA 0.504 5.158 4.640 0.022 0.000 0.250 82 D C -0.608 175.802 176.300 0.183 0.000 1.029 82 D CA 0.004 54.099 54.000 0.158 0.000 0.990 82 D CB 1.387 42.327 40.800 0.233 0.000 1.175 82 D HN 0.402 nan 8.370 nan 0.000 0.532 83 T N 0.553 115.198 114.554 0.153 0.000 2.743 83 T HA 0.488 4.851 4.350 0.022 0.000 0.292 83 T C 0.156 174.944 174.700 0.146 0.000 0.972 83 T CA -0.595 61.603 62.100 0.163 0.000 0.967 83 T CB 0.717 69.656 68.868 0.119 0.000 0.926 83 T HN 0.274 nan 8.240 nan 0.000 0.459 84 V N 1.341 121.374 119.914 0.200 0.000 3.126 84 V HA 0.823 4.956 4.120 0.022 0.000 0.314 84 V C -0.320 175.890 176.094 0.193 0.000 1.138 84 V CA -1.017 61.360 62.300 0.129 0.000 1.034 84 V CB 1.701 33.616 31.823 0.153 0.000 1.075 84 V HN 0.500 nan 8.190 nan 0.000 0.442 85 V N 1.863 121.867 119.914 0.150 0.000 2.546 85 V HA 0.565 4.698 4.120 0.022 0.000 0.284 85 V C -0.010 176.155 176.094 0.118 0.000 1.050 85 V CA -0.099 62.285 62.300 0.139 0.000 0.981 85 V CB 1.335 33.202 31.823 0.073 0.000 0.990 85 V HN 0.763 nan 8.190 nan 0.000 0.474 86 V N 6.550 126.453 119.914 -0.019 0.000 2.709 86 V HA 0.459 4.592 4.120 0.022 0.000 0.308 86 V C -2.274 173.696 176.094 -0.207 0.000 1.062 86 V CA -1.691 60.464 62.300 -0.242 0.000 0.901 86 V CB 2.494 33.834 31.823 -0.805 0.000 1.003 86 V HN 0.759 nan 8.190 nan 0.000 0.425 87 P HA 0.355 nan 4.420 nan 0.000 0.272 87 P C -0.657 176.565 177.300 -0.130 0.000 1.230 87 P CA 0.098 63.071 63.100 -0.212 0.000 0.788 87 P CB 1.338 32.923 31.700 -0.191 0.000 0.949 88 S N 0.096 115.731 115.700 -0.107 0.000 2.633 88 S HA 0.320 4.803 4.470 0.022 0.000 0.271 88 S C -1.392 173.129 174.600 -0.131 0.000 1.112 88 S CA -1.085 57.033 58.200 -0.138 0.000 0.828 88 S CB 0.076 63.148 63.200 -0.214 0.000 1.086 88 S HN 0.414 nan 8.310 nan 0.000 0.461 89 N N 1.116 119.678 118.700 -0.229 0.000 2.408 89 N HA 0.444 5.197 4.740 0.022 0.000 0.280 89 N C 0.508 175.846 175.510 -0.287 0.000 1.002 89 N CA -0.813 52.079 53.050 -0.263 0.000 0.907 89 N CB 0.643 38.945 38.487 -0.308 0.000 1.161 89 N HN 0.854 nan 8.380 nan 0.000 0.488 90 W N 2.305 123.471 121.300 -0.224 0.000 2.538 90 W HA -0.054 4.620 4.660 0.023 0.000 0.254 90 W C 0.814 177.311 176.519 -0.037 0.000 1.249 90 W CA 0.543 57.761 57.345 -0.212 0.000 1.253 90 W CB -0.336 29.011 29.460 -0.188 0.000 1.130 90 W HN 0.506 nan 8.180 nan 0.000 0.618 91 Q N 0.417 120.203 119.800 -0.024 0.000 2.230 91 Q HA -0.050 4.303 4.340 0.022 0.000 0.202 91 Q C 2.164 178.120 176.000 -0.073 0.000 0.963 91 Q CA 1.481 57.272 55.803 -0.021 0.000 0.866 91 Q CB -0.495 28.122 28.738 -0.202 0.000 0.931 91 Q HN 0.265 nan 8.270 nan 0.000 0.452 92 M N -0.786 118.730 119.600 -0.140 0.000 2.562 92 M HA -0.034 4.459 4.480 0.022 0.000 0.257 92 M C 0.634 176.981 176.300 0.078 0.000 1.099 92 M CA 1.315 56.559 55.300 -0.095 0.000 1.099 92 M CB -0.508 32.011 32.600 -0.135 0.000 1.427 92 M HN 0.375 nan 8.290 nan 0.000 0.489 93 H N -0.791 118.273 119.070 -0.009 0.000 2.551 93 H HA 0.272 4.841 4.556 0.022 0.000 0.271 93 H C 1.230 176.393 175.328 -0.274 0.000 0.984 93 H CA 0.104 56.103 56.048 -0.082 0.000 1.164 93 H CB 0.444 30.224 29.762 0.031 0.000 1.437 93 H HN 0.553 nan 8.280 nan 0.000 0.550 94 G N 0.687 109.456 108.800 -0.052 0.000 2.143 94 G HA2 -0.363 3.610 3.960 0.022 0.000 0.249 94 G HA3 -0.363 3.610 3.960 0.022 0.000 0.249 94 G C 0.324 175.075 174.900 -0.247 0.000 0.981 94 G CA 0.360 45.376 45.100 -0.140 0.000 0.665 94 G HN 0.439 nan 8.290 nan 0.000 0.528 95 Y N 1.488 121.795 120.300 0.011 0.000 2.314 95 Y HA 0.275 4.838 4.550 0.022 0.000 0.293 95 Y C 1.598 177.245 175.900 -0.422 0.000 1.129 95 Y CA 1.559 59.543 58.100 -0.193 0.000 1.201 95 Y CB 0.239 38.659 38.460 -0.066 0.000 0.999 95 Y HN 0.676 nan 8.280 nan 0.000 0.541 96 D N -2.269 118.163 120.400 0.052 0.000 2.671 96 D HA 0.472 5.126 4.640 0.022 0.000 0.273 96 D C -1.159 175.217 176.300 0.127 0.000 1.264 96 D CA -0.793 53.234 54.000 0.044 0.000 0.788 96 D CB 0.695 41.626 40.800 0.219 0.000 1.324 96 D HN -0.031 nan 8.370 nan 0.000 0.424 97 A N 0.360 123.264 122.820 0.140 0.000 2.354 97 A HA 0.649 4.983 4.320 0.022 0.000 0.269 97 A C -2.208 175.422 177.584 0.078 0.000 1.109 97 A CA -1.022 51.096 52.037 0.134 0.000 0.800 97 A CB -0.072 19.065 19.000 0.228 0.000 1.045 97 A HN 0.551 nan 8.150 nan 0.000 0.489 98 P HA 0.416 nan 4.420 nan 0.000 0.278 98 P C -0.916 176.561 177.300 0.295 0.000 1.238 98 P CA 0.012 63.082 63.100 -0.049 0.000 0.794 98 P CB 0.954 32.372 31.700 -0.470 0.000 0.955 99 I N 3.005 123.802 120.570 0.378 0.000 2.378 99 I HA 0.251 4.434 4.170 0.022 0.000 0.291 99 I C -0.434 175.804 176.117 0.202 0.000 0.992 99 I CA -0.973 60.527 61.300 0.333 0.000 1.154 99 I CB 1.369 39.525 38.000 0.259 0.000 1.315 99 I HN 0.321 nan 8.210 nan 0.000 0.448 100 Y N 6.338 126.503 120.300 -0.225 0.000 2.402 100 Y HA 0.530 5.093 4.550 0.022 0.000 0.332 100 Y C -0.328 175.395 175.900 -0.295 0.000 0.960 100 Y CA -0.493 57.229 58.100 -0.630 0.000 1.228 100 Y CB 1.269 38.864 38.460 -1.442 0.000 1.120 100 Y HN 0.542 nan 8.280 nan 0.000 0.491 101 T N 5.239 119.232 114.554 -0.934 0.000 2.912 101 T HA 0.263 4.626 4.350 0.022 0.000 0.299 101 T C -0.026 174.214 174.700 -0.766 0.000 1.052 101 T CA -0.612 61.026 62.100 -0.770 0.000 0.996 101 T CB 1.203 69.864 68.868 -0.345 0.000 1.070 101 T HN 0.749 nan 8.240 nan 0.000 0.465 102 N N 2.542 120.869 118.700 -0.621 0.000 2.288 102 N HA 0.052 4.805 4.740 0.022 0.000 0.199 102 N C 1.631 176.926 175.510 -0.359 0.000 1.043 102 N CA 1.631 54.451 53.050 -0.383 0.000 0.947 102 N CB -0.644 37.678 38.487 -0.274 0.000 1.140 102 N HN 0.402 nan 8.380 nan 0.000 0.490 103 V N 0.480 120.124 119.914 -0.450 0.000 2.374 103 V HA 0.069 4.202 4.120 0.022 0.000 0.241 103 V C 0.462 176.267 176.094 -0.483 0.000 1.034 103 V CA 0.991 62.928 62.300 -0.604 0.000 1.037 103 V CB -0.902 30.450 31.823 -0.786 0.000 0.682 103 V HN 0.337 nan 8.190 nan 0.000 0.463 104 T N 1.219 115.561 114.554 -0.353 0.000 2.831 104 T HA 0.095 4.458 4.350 0.022 0.000 0.291 104 T C -0.338 174.238 174.700 -0.208 0.000 0.981 104 T CA 0.248 62.207 62.100 -0.234 0.000 1.174 104 T CB -0.355 68.418 68.868 -0.158 0.000 0.929 104 T HN 0.166 nan 8.240 nan 0.000 0.532 105 Y N 5.166 125.382 120.300 -0.140 0.000 2.702 105 Y HA 0.090 4.653 4.550 0.022 0.000 0.336 105 Y C -0.680 175.102 175.900 -0.198 0.000 1.235 105 Y CA -1.491 56.515 58.100 -0.158 0.000 1.492 105 Y CB 0.350 38.718 38.460 -0.153 0.000 1.308 105 Y HN 0.510 nan 8.280 nan 0.000 0.589 106 P HA -0.008 nan 4.420 nan 0.000 0.242 106 P C -0.309 176.779 177.300 -0.352 0.000 1.197 106 P CA 1.103 64.102 63.100 -0.170 0.000 0.765 106 P CB 0.061 31.709 31.700 -0.088 0.000 0.936 107 I N -5.236 115.094 120.570 -0.399 0.000 3.042 107 I HA 0.474 4.657 4.170 0.022 0.000 0.310 107 I C -0.610 175.381 176.117 -0.211 0.000 1.117 107 I CA -1.259 59.780 61.300 -0.435 0.000 1.003 107 I CB 1.770 39.330 38.000 -0.732 0.000 1.228 107 I HN -0.466 nan 8.210 nan 0.000 0.443 108 T N 2.967 117.442 114.554 -0.132 0.000 2.908 108 T HA 0.110 4.473 4.350 0.022 0.000 0.301 108 T C 0.295 174.990 174.700 -0.008 0.000 1.019 108 T CA -0.178 61.898 62.100 -0.041 0.000 1.152 108 T CB 0.371 69.236 68.868 -0.005 0.000 0.966 108 T HN 0.381 nan 8.240 nan 0.000 0.540 109 V N 5.068 124.994 119.914 0.020 0.000 2.341 109 V HA 0.163 4.297 4.120 0.022 0.000 0.248 109 V C 0.795 176.936 176.094 0.079 0.000 1.107 109 V CA -0.102 62.232 62.300 0.057 0.000 1.069 109 V CB -0.605 31.242 31.823 0.041 0.000 1.177 109 V HN 0.852 nan 8.190 nan 0.000 0.492 110 N N 5.790 124.591 118.700 0.168 0.000 2.673 110 N HA 0.250 5.003 4.740 0.022 0.000 0.265 110 N C -2.715 172.886 175.510 0.151 0.000 1.709 110 N CA -1.330 51.813 53.050 0.156 0.000 0.792 110 N CB 1.391 39.998 38.487 0.201 0.000 1.286 110 N HN 0.297 nan 8.380 nan 0.000 0.506 111 P HA 0.131 nan 4.420 nan 0.000 0.266 111 P C -2.153 174.966 177.300 -0.302 0.000 1.195 111 P CA -0.570 62.157 63.100 -0.623 0.000 0.768 111 P CB 0.773 31.901 31.700 -0.952 0.000 0.838 112 P HA 0.185 nan 4.420 nan 0.000 0.258 112 P C -0.339 176.888 177.300 -0.121 0.000 1.416 112 P CA -0.243 62.694 63.100 -0.272 0.000 0.927 112 P CB 0.017 31.526 31.700 -0.319 0.000 1.444 113 F N 1.329 121.396 119.950 0.195 0.000 2.410 113 F HA 0.280 4.820 4.527 0.023 0.000 0.334 113 F C 1.338 177.299 175.800 0.268 0.000 1.134 113 F CA -0.651 57.465 58.000 0.193 0.000 1.227 113 F CB 0.511 39.572 39.000 0.102 0.000 1.194 113 F HN -0.199 nan 8.300 nan 0.000 0.571 114 V N -0.875 119.293 119.914 0.423 0.000 3.126 114 V HA 0.717 4.850 4.120 0.022 0.000 0.314 114 V C -2.801 173.445 176.094 0.254 0.000 1.138 114 V CA -2.996 59.473 62.300 0.282 0.000 1.034 114 V CB 1.420 33.466 31.823 0.373 0.000 1.075 114 V HN 0.505 nan 8.190 nan 0.000 0.442 115 P HA 0.167 nan 4.420 nan 0.000 0.266 115 P C 1.096 178.538 177.300 0.238 0.000 1.193 115 P CA 0.657 63.853 63.100 0.162 0.000 0.770 115 P CB 0.527 32.300 31.700 0.122 0.000 0.836 116 T N -1.313 113.352 114.554 0.184 0.000 2.867 116 T HA -0.102 4.261 4.350 0.022 0.000 0.268 116 T C 0.498 175.307 174.700 0.183 0.000 1.057 116 T CA 0.844 63.056 62.100 0.187 0.000 1.136 116 T CB -0.536 68.407 68.868 0.125 0.000 0.874 116 T HN 0.403 nan 8.240 nan 0.000 0.466 117 E N 2.647 122.954 120.200 0.178 0.000 1.865 117 E HA 0.240 4.603 4.350 0.022 0.000 0.269 117 E C -0.723 176.030 176.600 0.255 0.000 1.177 117 E CA -0.391 56.117 56.400 0.180 0.000 0.932 117 E CB 0.091 29.902 29.700 0.186 0.000 1.066 117 E HN 0.234 nan 8.360 nan 0.000 0.405 118 N N 4.212 123.032 118.700 0.201 0.000 2.564 118 N HA 0.226 4.979 4.740 0.022 0.000 0.248 118 N C -2.813 172.719 175.510 0.038 0.000 0.986 118 N CA -2.561 50.633 53.050 0.240 0.000 0.921 118 N CB 1.087 39.703 38.487 0.216 0.000 1.136 118 N HN 0.038 nan 8.380 nan 0.000 0.509 119 P HA -0.016 nan 4.420 nan 0.000 0.258 119 P C -0.909 176.309 177.300 -0.135 0.000 1.172 119 P CA 0.625 63.696 63.100 -0.048 0.000 0.762 119 P CB 0.360 32.322 31.700 0.436 0.000 0.764 120 T N 3.018 117.229 114.554 -0.571 0.000 2.809 120 T HA 0.544 4.907 4.350 0.022 0.000 0.284 120 T C 0.321 174.518 174.700 -0.838 0.000 0.992 120 T CA -0.589 61.224 62.100 -0.479 0.000 0.957 120 T CB 1.510 70.136 68.868 -0.403 0.000 0.942 120 T HN 0.313 nan 8.240 nan 0.000 0.439 121 G N 1.121 109.491 108.800 -0.716 0.000 2.347 121 G HA2 0.465 4.438 3.960 0.022 0.000 0.314 121 G HA3 0.465 4.438 3.960 0.022 0.000 0.314 121 G C -0.206 174.443 174.900 -0.417 0.000 1.126 121 G CA -0.386 44.192 45.100 -0.869 0.000 0.929 121 G HN 0.870 nan 8.290 nan 0.000 0.441 122 C N 3.495 122.313 119.300 -0.804 0.000 2.200 122 C HA 0.415 4.889 4.460 0.022 0.000 0.328 122 C C -0.402 174.546 174.990 -0.070 0.000 1.148 122 C CA -0.981 57.721 59.018 -0.525 0.000 1.624 122 C CB -1.878 25.148 27.740 -1.190 0.000 2.167 122 C HN 0.620 nan 8.230 nan 0.000 0.484 123 Y N 2.024 122.598 120.300 0.456 0.000 2.352 123 Y HA 0.589 5.152 4.550 0.023 0.000 0.326 123 Y C 0.876 177.232 175.900 0.760 0.000 1.166 123 Y CA -0.087 58.411 58.100 0.664 0.000 1.182 123 Y CB 1.270 40.136 38.460 0.676 0.000 1.216 123 Y HN 0.666 nan 8.280 nan 0.000 0.474 124 S N 2.447 118.621 115.700 0.790 0.000 2.556 124 S HA 0.797 5.280 4.470 0.022 0.000 0.271 124 S C -1.906 172.753 174.600 0.098 0.000 1.135 124 S CA -0.811 57.625 58.200 0.393 0.000 0.858 124 S CB 2.069 65.427 63.200 0.263 0.000 1.114 124 S HN 0.603 nan 8.310 nan 0.000 0.468 125 L N 1.054 122.154 121.223 -0.206 0.000 2.493 125 L HA 0.712 5.066 4.340 0.022 0.000 0.265 125 L C -1.140 175.670 176.870 -0.101 0.000 0.954 125 L CA 0.120 54.690 54.840 -0.451 0.000 0.844 125 L CB 2.267 43.518 42.059 -1.346 0.000 1.302 125 L HN 0.905 nan 8.230 nan 0.000 0.405 126 T N 5.802 120.334 114.554 -0.037 0.000 2.756 126 T HA 0.726 5.089 4.350 0.022 0.000 0.290 126 T C -0.819 173.941 174.700 0.100 0.000 0.985 126 T CA -0.020 62.099 62.100 0.031 0.000 0.955 126 T CB 0.202 69.055 68.868 -0.026 0.000 0.930 126 T HN 0.435 nan 8.240 nan 0.000 0.451 127 F N 1.075 120.930 119.950 -0.158 0.000 2.664 127 F HA 0.765 5.306 4.527 0.022 0.000 0.317 127 F C -0.792 174.934 175.800 -0.123 0.000 1.108 127 F CA -1.939 55.971 58.000 -0.149 0.000 0.957 127 F CB 1.039 39.929 39.000 -0.183 0.000 1.365 127 F HN 0.346 nan 8.300 nan 0.000 0.475 128 N N 0.061 118.669 118.700 -0.154 0.000 2.473 128 N HA 0.644 5.397 4.740 0.022 0.000 0.291 128 N C -1.953 173.413 175.510 -0.239 0.000 1.083 128 N CA -0.421 52.486 53.050 -0.238 0.000 0.951 128 N CB 1.776 40.187 38.487 -0.127 0.000 1.164 128 N HN 0.629 nan 8.380 nan 0.000 0.480 129 V N 2.479 122.225 119.914 -0.280 0.000 2.483 129 V HA 0.275 4.409 4.120 0.022 0.000 0.297 129 V C -0.756 175.225 176.094 -0.189 0.000 1.027 129 V CA -0.987 61.164 62.300 -0.248 0.000 0.855 129 V CB 1.563 33.277 31.823 -0.181 0.000 0.995 129 V HN 0.725 nan 8.190 nan 0.000 0.424 130 D N 2.995 123.246 120.400 -0.248 0.000 2.389 130 D HA 0.067 4.720 4.640 0.022 0.000 0.247 130 D C 1.042 177.361 176.300 0.030 0.000 1.128 130 D CA 0.000 53.939 54.000 -0.103 0.000 0.884 130 D CB 1.867 42.614 40.800 -0.088 0.000 1.194 130 D HN 0.721 nan 8.370 nan 0.000 0.441 131 E N 1.400 121.624 120.200 0.040 0.000 2.160 131 E HA -0.206 4.158 4.350 0.022 0.000 0.195 131 E C 1.643 178.315 176.600 0.119 0.000 0.991 131 E CA 1.535 57.977 56.400 0.070 0.000 0.810 131 E CB -0.086 29.638 29.700 0.039 0.000 0.742 131 E HN 0.410 nan 8.360 nan 0.000 0.466 132 S N -1.108 114.674 115.700 0.137 0.000 2.440 132 S HA -0.162 4.322 4.470 0.022 0.000 0.238 132 S C 1.656 176.336 174.600 0.133 0.000 1.010 132 S CA 0.959 59.233 58.200 0.125 0.000 0.972 132 S CB -0.734 62.539 63.200 0.122 0.000 0.774 132 S HN 0.428 nan 8.310 nan 0.000 0.501 133 W N 1.292 122.543 121.300 -0.082 0.000 2.658 133 W HA 0.444 5.117 4.660 0.022 0.000 0.263 133 W C 1.857 178.468 176.519 0.153 0.000 1.274 133 W CA -0.179 57.133 57.345 -0.054 0.000 1.343 133 W CB -0.246 29.238 29.460 0.040 0.000 1.106 133 W HN 0.293 nan 8.180 nan 0.000 0.615 134 L N -0.917 120.488 121.223 0.302 0.000 2.515 134 L HA 0.091 4.444 4.340 0.022 0.000 0.223 134 L C 2.271 179.231 176.870 0.150 0.000 1.079 134 L CA 0.271 55.240 54.840 0.215 0.000 0.857 134 L CB -0.683 41.468 42.059 0.154 0.000 1.050 134 L HN -0.090 nan 8.230 nan 0.000 0.476 135 Q N 1.275 121.152 119.800 0.130 0.000 2.112 135 Q HA -0.194 4.159 4.340 0.022 0.000 0.206 135 Q C -0.201 175.851 176.000 0.088 0.000 0.987 135 Q CA 1.840 57.696 55.803 0.087 0.000 0.858 135 Q CB 0.343 29.122 28.738 0.068 0.000 0.905 135 Q HN 0.601 nan 8.270 nan 0.000 0.420 136 E N -3.592 116.683 120.200 0.125 0.000 2.439 136 E HA 0.603 4.967 4.350 0.022 0.000 0.279 136 E C -0.270 176.444 176.600 0.190 0.000 1.077 136 E CA -0.471 55.998 56.400 0.116 0.000 0.849 136 E CB 0.225 29.972 29.700 0.078 0.000 1.408 136 E HN 0.175 nan 8.360 nan 0.000 0.457 137 G N -0.234 108.608 108.800 0.071 0.000 2.741 137 G HA2 -0.103 3.871 3.960 0.022 0.000 0.222 137 G HA3 -0.103 3.871 3.960 0.022 0.000 0.222 137 G C -0.982 173.810 174.900 -0.181 0.000 1.364 137 G CA -0.092 44.948 45.100 -0.101 0.000 0.866 137 G HN 0.744 nan 8.290 nan 0.000 0.555 138 Q N -0.525 119.023 119.800 -0.420 0.000 2.340 138 Q HA 0.643 4.997 4.340 0.022 0.000 0.268 138 Q C -0.904 174.944 176.000 -0.253 0.000 1.031 138 Q CA -0.495 55.173 55.803 -0.224 0.000 0.804 138 Q CB 1.529 30.179 28.738 -0.148 0.000 1.286 138 Q HN 0.615 nan 8.270 nan 0.000 0.448 139 T N 5.014 119.589 114.554 0.035 0.000 2.772 139 T HA 0.472 4.836 4.350 0.022 0.000 0.288 139 T C -0.666 174.157 174.700 0.205 0.000 0.994 139 T CA -0.631 61.599 62.100 0.217 0.000 0.951 139 T CB 0.489 69.623 68.868 0.443 0.000 0.933 139 T HN 0.633 nan 8.240 nan 0.000 0.447 140 R N 2.872 123.485 120.500 0.189 0.000 2.803 140 R HA 0.779 5.133 4.340 0.022 0.000 0.276 140 R C -1.110 175.300 176.300 0.184 0.000 0.978 140 R CA -0.989 55.218 56.100 0.178 0.000 0.939 140 R CB 1.551 31.929 30.300 0.129 0.000 1.179 140 R HN 0.562 nan 8.270 nan 0.000 0.472 141 I N 2.711 123.394 120.570 0.188 0.000 2.460 141 I HA 0.441 4.624 4.170 0.022 0.000 0.298 141 I C -1.066 175.111 176.117 0.100 0.000 0.989 141 I CA -1.281 60.082 61.300 0.106 0.000 1.173 141 I CB 1.324 39.397 38.000 0.122 0.000 1.338 141 I HN 0.633 nan 8.210 nan 0.000 0.456 142 I N 7.377 127.904 120.570 -0.072 0.000 2.410 142 I HA 0.285 4.468 4.170 0.022 0.000 0.286 142 I C -1.292 174.691 176.117 -0.223 0.000 1.009 142 I CA -0.378 60.894 61.300 -0.047 0.000 1.111 142 I CB 1.388 39.369 38.000 -0.032 0.000 1.262 142 I HN 0.391 nan 8.210 nan 0.000 0.443 143 F N 4.538 124.474 119.950 -0.022 0.000 2.308 143 F HA 0.275 4.815 4.527 0.022 0.000 0.370 143 F C 1.327 177.015 175.800 -0.186 0.000 1.100 143 F CA -0.498 57.418 58.000 -0.140 0.000 1.108 143 F CB 0.720 39.593 39.000 -0.212 0.000 1.293 143 F HN 0.454 nan 8.300 nan 0.000 0.478 144 D N 2.361 122.681 120.400 -0.134 0.000 2.264 144 D HA 0.034 4.687 4.640 0.022 0.000 0.208 144 D C 1.006 177.139 176.300 -0.279 0.000 0.966 144 D CA 0.899 54.773 54.000 -0.208 0.000 0.864 144 D CB 0.404 41.023 40.800 -0.301 0.000 0.933 144 D HN 0.633 nan 8.370 nan 0.000 0.499 145 G N -0.301 108.281 108.800 -0.362 0.000 2.505 145 G HA2 0.417 4.390 3.960 0.022 0.000 0.292 145 G HA3 0.417 4.390 3.960 0.022 0.000 0.292 145 G C -1.418 173.244 174.900 -0.396 0.000 1.332 145 G CA -0.439 44.343 45.100 -0.529 0.000 1.286 145 G HN -0.054 nan 8.290 nan 0.000 0.606 146 V N 2.680 122.543 119.914 -0.085 0.000 2.483 146 V HA 0.525 4.658 4.120 0.022 0.000 0.297 146 V C -0.736 175.448 176.094 0.151 0.000 1.027 146 V CA -1.203 61.053 62.300 -0.073 0.000 0.855 146 V CB 1.912 33.411 31.823 -0.539 0.000 0.995 146 V HN 0.682 nan 8.190 nan 0.000 0.424 147 N N 2.520 121.302 118.700 0.136 0.000 2.446 147 N HA 0.316 5.069 4.740 0.022 0.000 0.265 147 N C 0.611 176.060 175.510 -0.101 0.000 0.975 147 N CA 0.153 53.183 53.050 -0.034 0.000 0.928 147 N CB 2.142 40.427 38.487 -0.336 0.000 1.160 147 N HN 0.712 nan 8.380 nan 0.000 0.495 148 S N 1.797 117.476 115.700 -0.036 0.000 2.559 148 S HA 0.562 5.046 4.470 0.022 0.000 0.226 148 S C 0.269 174.934 174.600 0.108 0.000 1.030 148 S CA -0.071 58.155 58.200 0.043 0.000 0.956 148 S CB 0.392 63.627 63.200 0.059 0.000 0.900 148 S HN 0.629 nan 8.310 nan 0.000 0.510 149 A N 0.955 123.851 122.820 0.128 0.000 2.604 149 A HA 0.771 5.104 4.320 0.022 0.000 0.295 149 A C -1.337 176.350 177.584 0.170 0.000 1.067 149 A CA -0.904 51.179 52.037 0.077 0.000 0.683 149 A CB 0.974 20.036 19.000 0.104 0.000 1.281 149 A HN 1.059 nan 8.150 nan 0.000 0.407 150 F N -0.515 119.258 119.950 -0.294 0.000 2.693 150 F HA 0.759 5.300 4.527 0.022 0.000 0.309 150 F C -1.226 174.462 175.800 -0.186 0.000 1.129 150 F CA -0.800 57.110 58.000 -0.150 0.000 0.948 150 F CB 1.043 39.950 39.000 -0.155 0.000 1.315 150 F HN 0.610 nan 8.300 nan 0.000 0.447 151 H N 1.916 121.082 119.070 0.159 0.000 2.492 151 H HA 0.718 5.287 4.556 0.023 0.000 0.345 151 H C -1.453 173.779 175.328 -0.160 0.000 1.136 151 H CA -0.729 55.294 56.048 -0.043 0.000 1.202 151 H CB 2.482 32.258 29.762 0.023 0.000 1.524 151 H HN 0.809 nan 8.280 nan 0.000 0.506 152 L N 3.108 124.052 121.223 -0.465 0.000 2.365 152 L HA 0.413 4.766 4.340 0.022 0.000 0.273 152 L C -1.550 174.960 176.870 -0.600 0.000 1.000 152 L CA -0.481 54.139 54.840 -0.368 0.000 0.819 152 L CB 1.329 43.059 42.059 -0.548 0.000 1.284 152 L HN 0.496 nan 8.230 nan 0.000 0.418 153 W N 4.459 125.701 121.300 -0.097 0.000 2.819 153 W HA 0.562 5.235 4.660 0.023 0.000 0.337 153 W C -1.176 175.272 176.519 -0.117 0.000 1.077 153 W CA -0.779 56.498 57.345 -0.113 0.000 1.226 153 W CB 2.041 31.468 29.460 -0.055 0.000 1.419 153 W HN 0.556 nan 8.180 nan 0.000 0.502 154 C N 5.192 124.549 119.300 0.095 0.000 2.381 154 C HA 0.291 4.765 4.460 0.022 0.000 0.328 154 C C 0.345 175.443 174.990 0.180 0.000 1.190 154 C CA -0.308 58.772 59.018 0.105 0.000 1.369 154 C CB -0.658 27.091 27.740 0.015 0.000 2.029 154 C HN 0.808 nan 8.230 nan 0.000 0.448 155 N N 3.565 122.334 118.700 0.115 0.000 2.735 155 N HA -0.193 4.561 4.740 0.022 0.000 0.248 155 N C 0.973 176.537 175.510 0.089 0.000 1.083 155 N CA 2.005 55.101 53.050 0.076 0.000 0.703 155 N CB -1.295 37.245 38.487 0.087 0.000 1.005 155 N HN 1.770 nan 8.380 nan 0.000 0.550 156 G N -1.150 107.700 108.800 0.084 0.000 2.225 156 G HA2 -0.359 3.615 3.960 0.022 0.000 0.254 156 G HA3 -0.359 3.615 3.960 0.022 0.000 0.254 156 G C 0.135 175.194 174.900 0.265 0.000 0.988 156 G CA 0.540 45.687 45.100 0.079 0.000 0.625 156 G HN 0.533 nan 8.290 nan 0.000 0.527 157 R N -0.724 119.988 120.500 0.353 0.000 2.312 157 R HA 0.438 4.792 4.340 0.022 0.000 0.311 157 R C -0.060 176.523 176.300 0.470 0.000 1.004 157 R CA -0.817 55.558 56.100 0.460 0.000 0.902 157 R CB 0.932 31.530 30.300 0.497 0.000 1.073 157 R HN 0.248 nan 8.270 nan 0.000 0.457 158 W N 3.678 125.125 121.300 0.245 0.000 2.210 158 W HA 0.061 4.734 4.660 0.022 0.000 0.330 158 W C 0.035 176.405 176.519 -0.248 0.000 1.334 158 W CA 0.074 57.257 57.345 -0.270 0.000 1.227 158 W CB 0.640 29.946 29.460 -0.257 0.000 1.178 158 W HN 0.335 nan 8.180 nan 0.000 0.560 159 V N 5.103 124.192 119.914 -1.375 0.000 2.743 159 V HA 0.541 4.675 4.120 0.022 0.000 0.237 159 V C 1.009 176.069 176.094 -1.724 0.000 1.113 159 V CA 0.979 62.447 62.300 -1.387 0.000 1.141 159 V CB -0.326 30.752 31.823 -1.243 0.000 0.873 159 V HN 0.810 nan 8.190 nan 0.000 0.486 160 G N -1.766 105.813 108.800 -2.036 0.000 2.490 160 G HA2 0.499 4.472 3.960 0.022 0.000 0.308 160 G HA3 0.499 4.472 3.960 0.022 0.000 0.308 160 G C -2.457 171.998 174.900 -0.741 0.000 1.286 160 G CA -0.304 43.944 45.100 -1.420 0.000 0.825 160 G HN -0.005 nan 8.290 nan 0.000 0.479 161 Y N -0.579 119.473 120.300 -0.413 0.000 2.562 161 Y HA 0.701 5.264 4.550 0.022 0.000 0.345 161 Y C -0.104 175.596 175.900 -0.333 0.000 1.045 161 Y CA -0.092 57.748 58.100 -0.432 0.000 1.028 161 Y CB 2.296 40.665 38.460 -0.151 0.000 1.297 161 Y HN 1.206 nan 8.280 nan 0.000 0.463 162 G N 3.816 111.787 108.800 -1.381 0.000 2.733 162 G HA2 0.570 4.543 3.960 0.022 0.000 0.297 162 G HA3 0.570 4.543 3.960 0.022 0.000 0.297 162 G C -2.139 172.321 174.900 -0.735 0.000 1.422 162 G CA -0.844 43.764 45.100 -0.820 0.000 0.942 162 G HN 0.621 nan 8.290 nan 0.000 0.510 163 Q N -0.226 119.392 119.800 -0.303 0.000 2.633 163 Q HA 0.598 4.952 4.340 0.022 0.000 0.292 163 Q C -1.340 174.669 176.000 0.014 0.000 1.089 163 Q CA -0.838 54.903 55.803 -0.104 0.000 0.811 163 Q CB 2.629 31.353 28.738 -0.023 0.000 1.472 163 Q HN 0.665 nan 8.270 nan 0.000 0.464 164 D N -0.156 120.287 120.400 0.071 0.000 4.531 164 D HA -0.096 4.558 4.640 0.022 0.000 0.229 164 D C -0.622 175.744 176.300 0.110 0.000 1.248 164 D CA 0.482 54.538 54.000 0.093 0.000 1.039 164 D CB -0.553 40.285 40.800 0.063 0.000 0.609 164 D HN 0.542 nan 8.370 nan 0.000 0.283 165 S N 3.599 119.378 115.700 0.132 0.000 2.607 165 S HA 0.003 4.487 4.470 0.022 0.000 0.224 165 S C 1.504 176.242 174.600 0.229 0.000 0.969 165 S CA 0.245 58.556 58.200 0.185 0.000 0.927 165 S CB 0.349 63.636 63.200 0.144 0.000 0.772 165 S HN 0.462 nan 8.310 nan 0.000 0.533 166 R N 0.294 120.884 120.500 0.150 0.000 2.508 166 R HA 0.441 4.794 4.340 0.022 0.000 0.300 166 R C -0.333 176.020 176.300 0.089 0.000 0.970 166 R CA 0.048 56.231 56.100 0.138 0.000 1.102 166 R CB 0.191 30.595 30.300 0.174 0.000 1.246 166 R HN 0.335 nan 8.270 nan 0.000 0.539 167 L N 1.943 123.193 121.223 0.045 0.000 2.371 167 L HA 0.506 4.859 4.340 0.022 0.000 0.262 167 L C -2.335 174.513 176.870 -0.038 0.000 1.006 167 L CA -2.244 52.595 54.840 -0.002 0.000 0.818 167 L CB 3.056 45.110 42.059 -0.009 0.000 1.354 167 L HN -0.204 nan 8.230 nan 0.000 0.415 168 P HA 0.094 nan 4.420 nan 0.000 0.271 168 P C -0.982 176.278 177.300 -0.066 0.000 1.216 168 P CA -0.216 62.837 63.100 -0.078 0.000 0.776 168 P CB 1.280 32.902 31.700 -0.129 0.000 0.881 169 S N 1.809 117.521 115.700 0.020 0.000 2.498 169 S HA 0.327 4.810 4.470 0.022 0.000 0.317 169 S C -0.460 174.076 174.600 -0.107 0.000 1.090 169 S CA -0.540 57.627 58.200 -0.054 0.000 1.089 169 S CB 0.962 64.281 63.200 0.199 0.000 0.997 169 S HN 0.388 nan 8.310 nan 0.000 0.470 170 E N 1.788 121.736 120.200 -0.420 0.000 2.212 170 E HA 0.617 4.981 4.350 0.022 0.000 0.268 170 E C -1.447 174.752 176.600 -0.668 0.000 0.902 170 E CA -0.578 55.643 56.400 -0.298 0.000 0.779 170 E CB 1.644 31.290 29.700 -0.091 0.000 1.172 170 E HN 0.415 nan 8.360 nan 0.000 0.409 171 F N 0.563 120.579 119.950 0.109 0.000 2.578 171 F HA 0.209 4.750 4.527 0.023 0.000 0.311 171 F C -0.099 175.737 175.800 0.060 0.000 1.094 171 F CA -1.090 56.936 58.000 0.043 0.000 0.923 171 F CB 1.567 40.557 39.000 -0.017 0.000 1.230 171 F HN 0.265 nan 8.300 nan 0.000 0.450 172 D N 2.856 123.394 120.400 0.230 0.000 2.325 172 D HA 0.240 4.893 4.640 0.022 0.000 0.251 172 D C 0.303 176.754 176.300 0.252 0.000 1.196 172 D CA 0.321 54.441 54.000 0.200 0.000 0.866 172 D CB 1.049 41.949 40.800 0.166 0.000 1.101 172 D HN 0.589 nan 8.370 nan 0.000 0.476 173 L N 2.694 124.072 121.223 0.258 0.000 2.693 173 L HA 0.025 4.379 4.340 0.022 0.000 0.235 173 L C 2.180 179.274 176.870 0.374 0.000 1.127 173 L CA -0.172 54.864 54.840 0.328 0.000 0.914 173 L CB 0.126 42.337 42.059 0.253 0.000 1.193 173 L HN 0.269 nan 8.230 nan 0.000 0.502 174 S N 1.436 117.300 115.700 0.274 0.000 2.381 174 S HA -0.294 4.190 4.470 0.022 0.000 0.230 174 S C 2.000 176.696 174.600 0.160 0.000 1.052 174 S CA 1.922 60.242 58.200 0.200 0.000 1.068 174 S CB -0.196 63.083 63.200 0.131 0.000 0.918 174 S HN 0.559 nan 8.310 nan 0.000 0.448 175 A N -0.621 122.275 122.820 0.126 0.000 2.238 175 A HA 0.348 4.681 4.320 0.022 0.000 0.208 175 A C 1.246 178.707 177.584 -0.206 0.000 1.177 175 A CA 0.269 52.260 52.037 -0.077 0.000 0.804 175 A CB -0.404 18.467 19.000 -0.215 0.000 0.823 175 A HN 0.481 nan 8.150 nan 0.000 0.482 176 F N -0.798 119.190 119.950 0.062 0.000 2.717 176 F HA 0.374 4.914 4.527 0.022 0.000 0.297 176 F C 0.570 176.400 175.800 0.051 0.000 1.113 176 F CA -0.156 57.879 58.000 0.057 0.000 1.319 176 F CB 0.120 39.158 39.000 0.063 0.000 1.097 176 F HN -0.039 nan 8.300 nan 0.000 0.595 177 L N 1.226 122.585 121.223 0.226 0.000 2.399 177 L HA 0.539 4.893 4.340 0.022 0.000 0.265 177 L C 0.124 177.029 176.870 0.058 0.000 1.089 177 L CA -0.791 54.125 54.840 0.126 0.000 0.802 177 L CB 1.305 43.451 42.059 0.145 0.000 1.180 177 L HN 0.031 nan 8.230 nan 0.000 0.454 178 R N 1.386 121.884 120.500 -0.002 0.000 2.807 178 R HA 0.818 5.171 4.340 0.022 0.000 0.276 178 R C -0.969 175.303 176.300 -0.047 0.000 0.979 178 R CA -0.888 55.202 56.100 -0.017 0.000 0.928 178 R CB 1.547 31.828 30.300 -0.031 0.000 1.191 178 R HN 0.559 nan 8.270 nan 0.000 0.471 179 A N 1.483 124.286 122.820 -0.029 0.000 2.520 179 A HA 0.492 4.825 4.320 0.022 0.000 0.245 179 A C 1.050 178.588 177.584 -0.077 0.000 1.072 179 A CA 1.032 53.044 52.037 -0.041 0.000 0.761 179 A CB -0.731 18.259 19.000 -0.017 0.000 1.004 179 A HN 1.351 nan 8.150 nan 0.000 0.499 180 G N 1.638 110.373 108.800 -0.109 0.000 2.513 180 G HA2 -0.108 3.866 3.960 0.022 0.000 0.227 180 G HA3 -0.108 3.866 3.960 0.022 0.000 0.227 180 G C -0.399 174.380 174.900 -0.201 0.000 1.176 180 G CA -0.112 44.912 45.100 -0.127 0.000 0.967 180 G HN 0.882 nan 8.290 nan 0.000 0.587 181 E N 2.202 122.294 120.200 -0.181 0.000 2.316 181 E HA 0.404 4.767 4.350 0.022 0.000 0.275 181 E C 0.151 176.575 176.600 -0.292 0.000 1.029 181 E CA 0.001 56.261 56.400 -0.233 0.000 0.871 181 E CB 0.684 30.295 29.700 -0.148 0.000 1.022 181 E HN 0.470 nan 8.360 nan 0.000 0.418 182 N N 2.039 120.452 118.700 -0.478 0.000 2.357 182 N HA 0.407 5.160 4.740 0.022 0.000 0.284 182 N C -0.751 174.567 175.510 -0.320 0.000 1.236 182 N CA -0.657 52.114 53.050 -0.465 0.000 0.774 182 N CB 2.779 40.809 38.487 -0.762 0.000 1.534 182 N HN 0.230 nan 8.380 nan 0.000 0.478 183 R N 1.428 121.872 120.500 -0.093 0.000 2.532 183 R HA 0.490 4.844 4.340 0.022 0.000 0.297 183 R C -1.399 174.962 176.300 0.101 0.000 0.984 183 R CA -0.472 55.640 56.100 0.021 0.000 0.884 183 R CB 1.065 31.336 30.300 -0.049 0.000 1.182 183 R HN 0.483 nan 8.270 nan 0.000 0.442 184 L N 3.074 124.388 121.223 0.151 0.000 2.322 184 L HA 0.767 5.120 4.340 0.022 0.000 0.279 184 L C -0.325 176.598 176.870 0.088 0.000 1.036 184 L CA -0.914 54.015 54.840 0.148 0.000 0.807 184 L CB 1.996 44.139 42.059 0.141 0.000 1.226 184 L HN 0.758 nan 8.230 nan 0.000 0.433 185 A N 3.106 125.997 122.820 0.118 0.000 2.353 185 A HA 0.747 5.080 4.320 0.022 0.000 0.299 185 A C -1.069 176.799 177.584 0.474 0.000 1.089 185 A CA -0.448 51.588 52.037 -0.001 0.000 0.736 185 A CB 1.490 20.023 19.000 -0.779 0.000 1.195 185 A HN 0.372 nan 8.150 nan 0.000 0.447 186 V N 3.516 123.889 119.914 0.766 0.000 2.407 186 V HA 0.450 4.583 4.120 0.022 0.000 0.291 186 V C -0.066 176.564 176.094 0.893 0.000 1.018 186 V CA -0.282 62.474 62.300 0.761 0.000 0.842 186 V CB 1.517 33.637 31.823 0.495 0.000 0.996 186 V HN 0.963 nan 8.190 nan 0.000 0.426 187 M N 6.107 126.240 119.600 0.888 0.000 2.055 187 M HA 0.526 5.020 4.480 0.022 0.000 0.347 187 M C -1.311 175.250 176.300 0.436 0.000 1.123 187 M CA -0.355 55.288 55.300 0.572 0.000 1.035 187 M CB 0.978 33.951 32.600 0.621 0.000 1.484 187 M HN 0.480 nan 8.290 nan 0.000 0.428 188 V N 6.786 126.925 119.914 0.375 0.000 2.407 188 V HA 0.376 4.509 4.120 0.022 0.000 0.278 188 V C -0.078 176.184 176.094 0.280 0.000 1.037 188 V CA -0.630 61.894 62.300 0.373 0.000 0.900 188 V CB 1.337 33.481 31.823 0.535 0.000 0.983 188 V HN 0.790 nan 8.190 nan 0.000 0.459 189 L N 4.962 126.280 121.223 0.158 0.000 2.289 189 L HA 0.516 4.869 4.340 0.022 0.000 0.285 189 L C 1.521 178.409 176.870 0.031 0.000 1.049 189 L CA -0.370 54.485 54.840 0.024 0.000 0.804 189 L CB 1.368 43.336 42.059 -0.153 0.000 1.195 189 L HN 0.633 nan 8.230 nan 0.000 0.428 190 R N 2.809 123.279 120.500 -0.051 0.000 2.075 190 R HA -0.046 4.307 4.340 0.022 0.000 0.232 190 R C -0.366 175.617 176.300 -0.527 0.000 1.126 190 R CA 1.267 57.099 56.100 -0.446 0.000 0.963 190 R CB 0.227 30.103 30.300 -0.707 0.000 0.858 190 R HN 0.558 nan 8.270 nan 0.000 0.435 191 W N 0.132 121.492 121.300 0.100 0.000 2.627 191 W HA 0.417 5.090 4.660 0.022 0.000 0.339 191 W C -0.323 176.300 176.519 0.173 0.000 1.058 191 W CA -0.819 56.588 57.345 0.104 0.000 1.223 191 W CB 1.780 31.302 29.460 0.104 0.000 1.389 191 W HN 0.012 nan 8.180 nan 0.000 0.541 192 S N -1.099 114.877 115.700 0.460 0.000 2.636 192 S HA 0.180 4.663 4.470 0.022 0.000 0.268 192 S C 0.007 174.842 174.600 0.391 0.000 1.159 192 S CA -0.493 57.985 58.200 0.463 0.000 0.815 192 S CB 1.095 64.543 63.200 0.412 0.000 1.130 192 S HN 0.635 nan 8.310 nan 0.000 0.471 193 D N 0.385 121.025 120.400 0.401 0.000 2.309 193 D HA 0.075 4.728 4.640 0.022 0.000 0.212 193 D C 1.720 178.321 176.300 0.501 0.000 0.968 193 D CA 1.174 55.460 54.000 0.477 0.000 0.882 193 D CB -0.614 40.341 40.800 0.258 0.000 0.918 193 D HN 0.703 nan 8.370 nan 0.000 0.503 194 G N 0.167 109.181 108.800 0.357 0.000 2.443 194 G HA2 -0.236 3.737 3.960 0.022 0.000 0.219 194 G HA3 -0.236 3.737 3.960 0.022 0.000 0.219 194 G C 1.700 176.778 174.900 0.297 0.000 1.131 194 G CA 0.587 45.874 45.100 0.312 0.000 0.775 194 G HN 0.301 nan 8.290 nan 0.000 0.547 195 S N 0.135 115.989 115.700 0.257 0.000 2.419 195 S HA -0.133 4.350 4.470 0.022 0.000 0.235 195 S C 1.920 176.606 174.600 0.143 0.000 1.019 195 S CA 0.862 59.183 58.200 0.202 0.000 0.982 195 S CB -0.392 62.930 63.200 0.203 0.000 0.789 195 S HN 0.507 nan 8.310 nan 0.000 0.490 196 Y N 1.116 121.532 120.300 0.194 0.000 2.421 196 Y HA 0.108 4.671 4.550 0.022 0.000 0.292 196 Y C 1.591 177.595 175.900 0.174 0.000 1.136 196 Y CA 0.553 58.685 58.100 0.054 0.000 1.255 196 Y CB -0.259 38.121 38.460 -0.133 0.000 0.991 196 Y HN 0.212 nan 8.280 nan 0.000 0.552 197 L N -0.335 121.087 121.223 0.333 0.000 2.667 197 L HA 0.161 4.515 4.340 0.022 0.000 0.232 197 L C -0.041 176.977 176.870 0.246 0.000 1.138 197 L CA 0.346 55.340 54.840 0.258 0.000 0.921 197 L CB 0.080 42.293 42.059 0.257 0.000 1.180 197 L HN 0.107 nan 8.230 nan 0.000 0.487 198 E N -0.074 120.287 120.200 0.267 0.000 3.846 198 E HA 0.053 4.417 4.350 0.022 0.000 0.216 198 E C -0.547 176.183 176.600 0.216 0.000 1.092 198 E CA -0.056 56.487 56.400 0.238 0.000 1.370 198 E CB 0.548 30.375 29.700 0.211 0.000 1.227 198 E HN 0.023 nan 8.360 nan 0.000 0.442 199 D N 1.169 121.666 120.400 0.161 0.000 2.561 199 D HA 0.028 4.681 4.640 0.022 0.000 0.232 199 D C -0.216 176.101 176.300 0.028 0.000 1.198 199 D CA -0.131 53.862 54.000 -0.010 0.000 0.826 199 D CB 0.199 40.773 40.800 -0.376 0.000 0.992 199 D HN 0.061 nan 8.370 nan 0.000 0.490 200 Q N 0.549 120.453 119.800 0.173 0.000 2.361 200 Q HA 0.093 4.446 4.340 0.022 0.000 0.276 200 Q C -0.118 176.017 176.000 0.225 0.000 1.022 200 Q CA 0.150 56.126 55.803 0.288 0.000 0.898 200 Q CB 0.584 29.642 28.738 0.533 0.000 1.246 200 Q HN 0.086 nan 8.270 nan 0.000 0.410 201 D N 3.418 123.984 120.400 0.277 0.000 2.441 201 D HA 0.166 4.820 4.640 0.022 0.000 0.243 201 D C -0.726 175.733 176.300 0.265 0.000 1.257 201 D CA 0.181 54.312 54.000 0.219 0.000 1.027 201 D CB -0.392 40.555 40.800 0.244 0.000 1.084 201 D HN 0.498 nan 8.370 nan 0.000 0.514 202 M N 0.419 120.120 119.600 0.169 0.000 3.147 202 M HA 0.381 4.874 4.480 0.022 0.000 0.276 202 M C -1.351 175.037 176.300 0.147 0.000 1.211 202 M CA -1.190 54.166 55.300 0.093 0.000 0.820 202 M CB 0.979 33.520 32.600 -0.098 0.000 1.621 202 M HN -0.081 nan 8.290 nan 0.000 0.507 203 W N 2.139 123.520 121.300 0.135 0.000 2.251 203 W HA 0.348 5.021 4.660 0.022 0.000 0.327 203 W C 0.187 176.714 176.519 0.013 0.000 1.361 203 W CA 0.073 57.481 57.345 0.106 0.000 1.234 203 W CB 0.383 29.843 29.460 0.000 0.000 1.212 203 W HN 0.270 nan 8.180 nan 0.000 0.557 204 R N 4.954 125.605 120.500 0.252 0.000 2.196 204 R HA 0.412 4.765 4.340 0.022 0.000 0.340 204 R C -0.119 176.189 176.300 0.012 0.000 1.043 204 R CA -0.208 55.973 56.100 0.135 0.000 0.883 204 R CB 0.114 30.564 30.300 0.250 0.000 1.078 204 R HN 0.563 nan 8.270 nan 0.000 0.462 205 M N 0.228 119.727 119.600 -0.169 0.000 2.792 205 M HA 0.524 5.017 4.480 0.022 0.000 0.290 205 M C -0.031 175.925 176.300 -0.573 0.000 1.155 205 M CA -0.789 54.293 55.300 -0.363 0.000 0.781 205 M CB 2.273 34.660 32.600 -0.356 0.000 1.741 205 M HN 0.654 nan 8.290 nan 0.000 0.473 206 S N -1.235 113.991 115.700 -0.790 0.000 2.636 206 S HA 0.944 5.428 4.470 0.022 0.000 0.268 206 S C -0.578 173.525 174.600 -0.827 0.000 1.159 206 S CA -0.211 57.444 58.200 -0.908 0.000 0.815 206 S CB 1.647 64.111 63.200 -1.228 0.000 1.130 206 S HN 1.495 nan 8.310 nan 0.000 0.471 207 G N -0.043 108.511 108.800 -0.410 0.000 2.384 207 G HA2 0.123 4.096 3.960 0.022 0.000 0.668 207 G HA3 0.123 4.096 3.960 0.022 0.000 0.668 207 G C -1.227 173.687 174.900 0.025 0.000 1.280 207 G CA -0.600 44.567 45.100 0.111 0.000 0.992 207 G HN 1.223 nan 8.290 nan 0.000 0.512 208 I N 1.977 122.413 120.570 -0.223 0.000 2.260 208 I HA 0.260 4.443 4.170 0.022 0.000 0.297 208 I C 1.189 177.196 176.117 -0.183 0.000 1.143 208 I CA -0.211 60.867 61.300 -0.369 0.000 1.271 208 I CB -0.205 37.313 38.000 -0.802 0.000 1.461 208 I HN 0.496 nan 8.210 nan 0.000 0.530 209 F N 4.159 123.956 119.950 -0.254 0.000 2.727 209 F HA 0.467 5.007 4.527 0.022 0.000 0.302 209 F C 0.603 176.315 175.800 -0.148 0.000 1.097 209 F CA -0.614 57.268 58.000 -0.197 0.000 1.330 209 F CB -0.146 38.747 39.000 -0.180 0.000 1.084 209 F HN 0.145 nan 8.300 nan 0.000 0.578 210 R N 0.347 120.453 120.500 -0.656 0.000 2.888 210 R HA 0.238 4.591 4.340 0.022 0.000 0.264 210 R C -0.684 175.401 176.300 -0.359 0.000 1.045 210 R CA -1.124 54.664 56.100 -0.519 0.000 0.962 210 R CB 0.996 30.871 30.300 -0.708 0.000 1.210 210 R HN -0.025 nan 8.270 nan 0.000 0.479 211 D N 0.794 121.031 120.400 -0.270 0.000 2.443 211 D HA 0.070 4.723 4.640 0.022 0.000 0.234 211 D C -0.417 175.730 176.300 -0.256 0.000 1.172 211 D CA 0.543 54.417 54.000 -0.210 0.000 0.878 211 D CB 0.678 41.397 40.800 -0.135 0.000 1.204 211 D HN -0.021 nan 8.370 nan 0.000 0.453 212 V N 0.879 120.646 119.914 -0.244 0.000 2.588 212 V HA 0.565 4.698 4.120 0.022 0.000 0.304 212 V C -0.002 175.958 176.094 -0.223 0.000 1.042 212 V CA -0.523 61.566 62.300 -0.351 0.000 0.877 212 V CB 1.794 33.403 31.823 -0.357 0.000 0.996 212 V HN 0.802 nan 8.190 nan 0.000 0.425 213 S N 4.445 120.002 115.700 -0.239 0.000 2.625 213 S HA 0.807 5.291 4.470 0.022 0.000 0.271 213 S C -1.441 173.115 174.600 -0.073 0.000 1.161 213 S CA -0.924 57.206 58.200 -0.117 0.000 0.820 213 S CB 1.733 64.904 63.200 -0.048 0.000 1.137 213 S HN 0.462 nan 8.310 nan 0.000 0.470 214 L N 1.453 122.695 121.223 0.030 0.000 2.322 214 L HA 0.693 5.047 4.340 0.022 0.000 0.281 214 L C -1.338 175.739 176.870 0.344 0.000 1.014 214 L CA -0.877 54.071 54.840 0.179 0.000 0.815 214 L CB 1.674 43.835 42.059 0.169 0.000 1.247 214 L HN 0.696 nan 8.230 nan 0.000 0.421 215 L N 3.500 124.904 121.223 0.301 0.000 2.356 215 L HA 0.467 4.820 4.340 0.022 0.000 0.277 215 L C -0.722 176.188 176.870 0.067 0.000 0.996 215 L CA -0.134 54.814 54.840 0.180 0.000 0.822 215 L CB 1.397 43.517 42.059 0.101 0.000 1.256 215 L HN 0.479 nan 8.230 nan 0.000 0.413 216 H N 5.362 124.223 119.070 -0.348 0.000 2.476 216 H HA 0.497 5.067 4.556 0.022 0.000 0.328 216 H C -1.288 173.826 175.328 -0.355 0.000 1.073 216 H CA -0.557 55.165 56.048 -0.543 0.000 1.229 216 H CB 1.157 30.078 29.762 -1.402 0.000 1.432 216 H HN 0.539 nan 8.280 nan 0.000 0.477 217 K N 5.600 125.642 120.400 -0.598 0.000 2.318 217 K HA 0.377 4.711 4.320 0.022 0.000 0.249 217 K C -2.734 173.616 176.600 -0.417 0.000 0.942 217 K CA -2.049 54.014 56.287 -0.373 0.000 0.808 217 K CB 2.173 34.516 32.500 -0.262 0.000 1.189 217 K HN 0.472 nan 8.250 nan 0.000 0.428 218 P HA 0.155 nan 4.420 nan 0.000 0.274 218 P C 0.518 177.742 177.300 -0.127 0.000 1.246 218 P CA -0.187 62.841 63.100 -0.120 0.000 0.795 218 P CB 0.507 32.178 31.700 -0.049 0.000 1.006 219 T N -1.209 113.297 114.554 -0.080 0.000 2.746 219 T HA -0.058 4.305 4.350 0.022 0.000 0.267 219 T C 0.611 175.271 174.700 -0.066 0.000 1.039 219 T CA 1.570 63.630 62.100 -0.066 0.000 1.142 219 T CB -0.667 68.181 68.868 -0.034 0.000 0.866 219 T HN 0.424 nan 8.240 nan 0.000 0.444 220 T N 3.808 118.332 114.554 -0.051 0.000 2.727 220 T HA 0.420 4.783 4.350 0.022 0.000 0.298 220 T C -0.161 174.500 174.700 -0.065 0.000 0.942 220 T CA -0.546 61.519 62.100 -0.058 0.000 0.997 220 T CB 0.469 69.323 68.868 -0.023 0.000 0.917 220 T HN 0.485 nan 8.240 nan 0.000 0.487 221 Q N 2.427 122.172 119.800 -0.092 0.000 2.553 221 Q HA 0.633 4.987 4.340 0.022 0.000 0.293 221 Q C -1.177 174.762 176.000 -0.101 0.000 1.038 221 Q CA -1.181 54.556 55.803 -0.109 0.000 0.777 221 Q CB 1.461 30.109 28.738 -0.150 0.000 1.487 221 Q HN 0.459 nan 8.270 nan 0.000 0.426 222 I N 2.537 123.024 120.570 -0.137 0.000 2.379 222 I HA 0.044 4.228 4.170 0.022 0.000 0.290 222 I C 0.670 176.705 176.117 -0.136 0.000 1.063 222 I CA -0.096 61.151 61.300 -0.089 0.000 1.351 222 I CB 1.098 39.012 38.000 -0.143 0.000 1.410 222 I HN 0.876 nan 8.210 nan 0.000 0.505 223 S N 2.687 118.407 115.700 0.033 0.000 2.517 223 S HA 0.178 4.661 4.470 0.022 0.000 0.214 223 S C 0.136 174.952 174.600 0.359 0.000 0.991 223 S CA -0.224 58.058 58.200 0.137 0.000 0.906 223 S CB 0.148 63.386 63.200 0.064 0.000 0.789 223 S HN 0.734 nan 8.310 nan 0.000 0.513 224 D N -0.425 120.201 120.400 0.376 0.000 2.783 224 D HA 0.493 5.146 4.640 0.022 0.000 0.253 224 D C -1.901 174.617 176.300 0.364 0.000 1.206 224 D CA -0.739 53.484 54.000 0.371 0.000 0.740 224 D CB 1.111 42.018 40.800 0.179 0.000 1.313 224 D HN 0.185 nan 8.370 nan 0.000 0.427 225 F N -0.573 119.484 119.950 0.178 0.000 2.672 225 F HA 0.582 5.123 4.527 0.022 0.000 0.311 225 F C -1.618 174.321 175.800 0.232 0.000 1.113 225 F CA -0.765 57.282 58.000 0.078 0.000 0.996 225 F CB 1.100 40.168 39.000 0.113 0.000 1.286 225 F HN 0.294 nan 8.300 nan 0.000 0.441 226 H N 1.891 121.026 119.070 0.108 0.000 2.538 226 H HA 0.768 5.337 4.556 0.022 0.000 0.353 226 H C -1.263 174.111 175.328 0.076 0.000 1.109 226 H CA -1.551 54.500 56.048 0.005 0.000 1.192 226 H CB 2.671 32.419 29.762 -0.024 0.000 1.555 226 H HN 0.597 nan 8.280 nan 0.000 0.518 227 V N 2.312 122.320 119.914 0.156 0.000 2.448 227 V HA 0.638 4.772 4.120 0.022 0.000 0.295 227 V C -0.203 175.881 176.094 -0.017 0.000 1.025 227 V CA -0.537 61.806 62.300 0.073 0.000 0.859 227 V CB 1.214 33.076 31.823 0.064 0.000 0.988 227 V HN 0.933 nan 8.190 nan 0.000 0.431 228 A N 3.384 126.171 122.820 -0.054 0.000 2.413 228 A HA 0.982 5.316 4.320 0.022 0.000 0.307 228 A C -0.202 177.274 177.584 -0.180 0.000 1.087 228 A CA -0.528 51.456 52.037 -0.088 0.000 0.750 228 A CB 2.135 21.110 19.000 -0.042 0.000 1.296 228 A HN 0.930 nan 8.150 nan 0.000 0.423 229 T N -0.269 114.161 114.554 -0.207 0.000 2.949 229 T HA 0.686 5.049 4.350 0.022 0.000 0.300 229 T C -0.629 173.849 174.700 -0.371 0.000 0.988 229 T CA -0.674 61.204 62.100 -0.371 0.000 0.993 229 T CB 0.902 69.442 68.868 -0.546 0.000 0.984 229 T HN 0.698 nan 8.240 nan 0.000 0.442 230 R N 2.046 122.289 120.500 -0.427 0.000 2.664 230 R HA 0.796 5.149 4.340 0.022 0.000 0.286 230 R C -1.091 174.908 176.300 -0.502 0.000 0.967 230 R CA -0.773 55.165 56.100 -0.270 0.000 0.933 230 R CB 1.435 31.669 30.300 -0.110 0.000 1.146 230 R HN 0.530 nan 8.270 nan 0.000 0.468 231 F N 0.183 120.122 119.950 -0.019 0.000 2.631 231 F HA 0.349 4.888 4.527 0.020 0.000 0.328 231 F C 0.605 176.284 175.800 -0.203 0.000 1.067 231 F CA -1.175 56.766 58.000 -0.098 0.000 0.969 231 F CB 0.796 39.693 39.000 -0.172 0.000 1.332 231 F HN 0.511 nan 8.300 nan 0.000 0.490 232 N N -0.119 118.575 118.700 -0.010 0.000 2.405 232 N HA 0.080 4.834 4.740 0.022 0.000 0.269 232 N C 0.370 175.738 175.510 -0.237 0.000 1.249 232 N CA -0.176 52.822 53.050 -0.086 0.000 0.974 232 N CB 0.143 38.608 38.487 -0.036 0.000 1.204 232 N HN 0.666 nan 8.380 nan 0.000 0.565 233 D N -1.111 119.192 120.400 -0.161 0.000 2.158 233 D HA -0.250 4.404 4.640 0.022 0.000 0.197 233 D C 0.404 176.600 176.300 -0.173 0.000 0.995 233 D CA 1.686 55.583 54.000 -0.171 0.000 0.846 233 D CB -0.517 40.249 40.800 -0.057 0.000 0.941 233 D HN 0.743 nan 8.370 nan 0.000 0.456 234 D N -1.725 118.631 120.400 -0.073 0.000 2.402 234 D HA 0.017 4.671 4.640 0.022 0.000 0.216 234 D C 0.134 176.602 176.300 0.280 0.000 1.128 234 D CA -0.849 53.225 54.000 0.124 0.000 0.833 234 D CB -0.918 39.950 40.800 0.113 0.000 0.971 234 D HN 0.224 nan 8.370 nan 0.000 0.503 235 F N 0.366 120.361 119.950 0.075 0.000 3.034 235 F HA -0.288 4.252 4.527 0.021 0.000 0.286 235 F C 1.616 177.485 175.800 0.116 0.000 0.804 235 F CA 0.776 58.831 58.000 0.092 0.000 1.161 235 F CB -2.562 36.388 39.000 -0.084 0.000 1.317 235 F HN 0.198 nan 8.300 nan 0.000 0.453 236 S N -1.196 114.613 115.700 0.182 0.000 2.528 236 S HA 0.253 4.736 4.470 0.022 0.000 0.219 236 S C 0.692 175.349 174.600 0.095 0.000 0.985 236 S CA 0.084 58.359 58.200 0.126 0.000 0.914 236 S CB 0.387 63.636 63.200 0.082 0.000 0.776 236 S HN 0.479 nan 8.310 nan 0.000 0.526 237 R N -0.054 120.512 120.500 0.110 0.000 2.740 237 R HA 0.828 5.181 4.340 0.022 0.000 0.273 237 R C -1.365 174.982 176.300 0.079 0.000 0.998 237 R CA -0.425 55.710 56.100 0.058 0.000 0.900 237 R CB 2.208 32.519 30.300 0.018 0.000 1.223 237 R HN 0.230 nan 8.270 nan 0.000 0.466 238 A N 1.093 123.900 122.820 -0.021 0.000 2.609 238 A HA 0.708 5.042 4.320 0.022 0.000 0.291 238 A C -1.547 175.970 177.584 -0.113 0.000 1.096 238 A CA -0.643 51.311 52.037 -0.137 0.000 0.684 238 A CB 2.057 20.936 19.000 -0.201 0.000 1.282 238 A HN 0.304 nan 8.150 nan 0.000 0.412 239 V N 1.273 121.092 119.914 -0.159 0.000 2.483 239 V HA 0.476 4.610 4.120 0.022 0.000 0.297 239 V C -0.569 175.461 176.094 -0.107 0.000 1.027 239 V CA -0.334 61.908 62.300 -0.097 0.000 0.855 239 V CB 1.474 33.242 31.823 -0.092 0.000 0.995 239 V HN 0.815 nan 8.190 nan 0.000 0.424 240 L N 4.320 125.513 121.223 -0.050 0.000 2.257 240 L HA 0.602 4.956 4.340 0.022 0.000 0.290 240 L C 0.036 176.861 176.870 -0.075 0.000 1.044 240 L CA -0.015 54.768 54.840 -0.096 0.000 0.810 240 L CB 1.066 43.094 42.059 -0.052 0.000 1.193 240 L HN 0.792 nan 8.230 nan 0.000 0.425 241 E N 4.331 124.482 120.200 -0.081 0.000 2.145 241 E HA 0.637 5.001 4.350 0.022 0.000 0.270 241 E C -1.292 175.298 176.600 -0.017 0.000 0.906 241 E CA -0.702 55.671 56.400 -0.045 0.000 0.761 241 E CB 1.617 31.291 29.700 -0.042 0.000 1.116 241 E HN 0.703 nan 8.360 nan 0.000 0.408 242 A N 4.723 127.542 122.820 -0.002 0.000 2.311 242 A HA 0.294 4.628 4.320 0.022 0.000 0.306 242 A C -0.692 176.907 177.584 0.025 0.000 1.189 242 A CA -0.656 51.404 52.037 0.038 0.000 0.791 242 A CB 1.041 20.064 19.000 0.039 0.000 1.172 242 A HN 0.729 nan 8.150 nan 0.000 0.481 243 E N 2.573 122.791 120.200 0.030 0.000 2.174 243 E HA 0.539 4.902 4.350 0.022 0.000 0.282 243 E C -1.251 175.340 176.600 -0.016 0.000 0.992 243 E CA -0.344 56.035 56.400 -0.035 0.000 0.803 243 E CB 1.127 30.759 29.700 -0.115 0.000 1.090 243 E HN 0.397 nan 8.360 nan 0.000 0.396 244 V N 4.456 124.380 119.914 0.016 0.000 2.555 244 V HA 0.324 4.457 4.120 0.022 0.000 0.302 244 V C -0.427 175.756 176.094 0.149 0.000 1.038 244 V CA -0.800 61.560 62.300 0.101 0.000 0.887 244 V CB 1.760 33.627 31.823 0.074 0.000 0.991 244 V HN 0.748 nan 8.190 nan 0.000 0.434 245 Q N 3.634 123.521 119.800 0.145 0.000 2.377 245 Q HA 0.825 5.178 4.340 0.022 0.000 0.271 245 Q C -0.864 175.184 176.000 0.079 0.000 1.077 245 Q CA -0.841 55.018 55.803 0.093 0.000 0.820 245 Q CB 2.658 31.388 28.738 -0.014 0.000 1.347 245 Q HN 0.823 nan 8.270 nan 0.000 0.444 246 M N -0.804 118.736 119.600 -0.100 0.000 2.690 246 M HA 0.769 5.262 4.480 0.022 0.000 0.302 246 M C -1.437 174.739 176.300 -0.208 0.000 1.234 246 M CA -0.555 54.617 55.300 -0.214 0.000 0.853 246 M CB 1.621 33.871 32.600 -0.583 0.000 1.748 246 M HN 0.514 nan 8.290 nan 0.000 0.469 247 C N 0.890 120.094 119.300 -0.161 0.000 2.634 247 C HA 1.039 5.512 4.460 0.022 0.000 0.313 247 C C 0.506 175.418 174.990 -0.130 0.000 1.198 247 C CA 0.599 59.544 59.018 -0.121 0.000 1.605 247 C CB 1.067 28.768 27.740 -0.066 0.000 2.196 247 C HN 1.432 nan 8.230 nan 0.000 0.486 248 G N 1.832 110.566 108.800 -0.110 0.000 2.373 248 G HA2 0.062 4.036 3.960 0.022 0.000 0.634 248 G HA3 0.062 4.036 3.960 0.022 0.000 0.634 248 G C -1.147 173.688 174.900 -0.109 0.000 1.267 248 G CA -0.570 44.473 45.100 -0.095 0.000 1.008 248 G HN 0.923 nan 8.290 nan 0.000 0.497 249 E N -0.215 119.931 120.200 -0.091 0.000 2.259 249 E HA 0.454 4.817 4.350 0.022 0.000 0.281 249 E C 0.369 176.883 176.600 -0.143 0.000 1.037 249 E CA -0.528 55.815 56.400 -0.096 0.000 0.854 249 E CB 0.377 30.039 29.700 -0.062 0.000 1.051 249 E HN 0.455 nan 8.360 nan 0.000 0.409 250 L N 4.999 126.130 121.223 -0.155 0.000 2.380 250 L HA 0.307 4.660 4.340 0.022 0.000 0.273 250 L C 0.444 177.196 176.870 -0.197 0.000 1.138 250 L CA -0.143 54.586 54.840 -0.186 0.000 0.832 250 L CB 0.435 42.403 42.059 -0.152 0.000 1.124 250 L HN 0.434 nan 8.230 nan 0.000 0.454 251 R N 1.712 122.043 120.500 -0.282 0.000 2.673 251 R HA 0.203 4.556 4.340 0.022 0.000 0.281 251 R C -0.087 175.987 176.300 -0.377 0.000 0.991 251 R CA -0.754 55.075 56.100 -0.451 0.000 0.896 251 R CB 1.712 31.403 30.300 -1.016 0.000 1.201 251 R HN 0.539 nan 8.270 nan 0.000 0.457 252 D N 1.189 121.438 120.400 -0.251 0.000 2.263 252 D HA -0.145 4.509 4.640 0.022 0.000 0.208 252 D C 1.390 177.661 176.300 -0.049 0.000 0.971 252 D CA 1.513 55.454 54.000 -0.098 0.000 0.867 252 D CB 0.231 41.017 40.800 -0.023 0.000 0.929 252 D HN 0.561 nan 8.370 nan 0.000 0.492 253 Y N -0.004 120.310 120.300 0.024 0.000 2.546 253 Y HA 0.275 4.838 4.550 0.023 0.000 0.287 253 Y C 0.824 176.728 175.900 0.007 0.000 1.158 253 Y CA -0.512 57.597 58.100 0.016 0.000 1.307 253 Y CB -0.848 37.623 38.460 0.018 0.000 1.036 253 Y HN -0.204 nan 8.280 nan 0.000 0.532 254 L N 2.682 123.884 121.223 -0.034 0.000 2.439 254 L HA 0.301 4.655 4.340 0.022 0.000 0.269 254 L C 0.253 177.101 176.870 -0.037 0.000 1.179 254 L CA -0.026 54.847 54.840 0.054 0.000 0.828 254 L CB 0.500 42.612 42.059 0.088 0.000 1.106 254 L HN 0.184 nan 8.230 nan 0.000 0.467 255 R N 1.808 122.172 120.500 -0.225 0.000 2.764 255 R HA 0.685 5.038 4.340 0.022 0.000 0.270 255 R C -1.604 174.318 176.300 -0.630 0.000 1.014 255 R CA -0.794 55.016 56.100 -0.483 0.000 0.904 255 R CB 2.266 32.205 30.300 -0.602 0.000 1.236 255 R HN 0.270 nan 8.270 nan 0.000 0.466 256 V N 1.016 120.617 119.914 -0.521 0.000 2.577 256 V HA 0.451 4.585 4.120 0.022 0.000 0.303 256 V C -0.538 175.485 176.094 -0.118 0.000 1.042 256 V CA -0.542 61.556 62.300 -0.338 0.000 0.872 256 V CB 2.321 33.873 31.823 -0.453 0.000 0.998 256 V HN 0.732 nan 8.190 nan 0.000 0.423 257 T N 4.251 118.847 114.554 0.070 0.000 2.812 257 T HA 0.624 4.988 4.350 0.022 0.000 0.282 257 T C -0.625 174.094 174.700 0.032 0.000 0.990 257 T CA -0.391 61.769 62.100 0.100 0.000 0.960 257 T CB 1.691 70.674 68.868 0.190 0.000 0.948 257 T HN 0.335 nan 8.240 nan 0.000 0.438 258 V N 3.851 123.766 119.914 0.001 0.000 2.409 258 V HA 0.689 4.822 4.120 0.022 0.000 0.291 258 V C -0.038 176.063 176.094 0.012 0.000 1.020 258 V CA -0.785 61.513 62.300 -0.004 0.000 0.848 258 V CB 1.635 33.443 31.823 -0.026 0.000 0.990 258 V HN 1.046 nan 8.190 nan 0.000 0.430 259 S N 5.171 120.907 115.700 0.061 0.000 2.526 259 S HA 0.852 5.335 4.470 0.022 0.000 0.293 259 S C -1.124 173.519 174.600 0.071 0.000 1.092 259 S CA -0.770 57.446 58.200 0.027 0.000 0.980 259 S CB 2.156 65.419 63.200 0.105 0.000 1.048 259 S HN 0.536 nan 8.310 nan 0.000 0.483 260 L N 2.451 123.616 121.223 -0.096 0.000 2.322 260 L HA 0.804 5.157 4.340 0.022 0.000 0.281 260 L C -1.905 174.903 176.870 -0.104 0.000 1.014 260 L CA -0.303 54.566 54.840 0.049 0.000 0.815 260 L CB 0.781 42.881 42.059 0.070 0.000 1.247 260 L HN 0.887 nan 8.230 nan 0.000 0.421 261 W N 3.452 124.855 121.300 0.172 0.000 2.819 261 W HA 0.629 5.302 4.660 0.022 0.000 0.337 261 W C -0.737 175.869 176.519 0.144 0.000 1.077 261 W CA -0.581 56.841 57.345 0.129 0.000 1.226 261 W CB 1.497 30.984 29.460 0.045 0.000 1.419 261 W HN 0.378 nan 8.180 nan 0.000 0.502 262 Q N 2.151 122.099 119.800 0.248 0.000 2.454 262 Q HA 0.550 4.903 4.340 0.022 0.000 0.255 262 Q C 0.432 176.455 176.000 0.039 0.000 1.034 262 Q CA 0.432 56.212 55.803 -0.039 0.000 0.736 262 Q CB 0.799 29.417 28.738 -0.200 0.000 1.210 262 Q HN 0.780 nan 8.270 nan 0.000 0.500 263 G N 3.117 111.942 108.800 0.041 0.000 2.531 263 G HA2 -0.315 3.658 3.960 0.022 0.000 0.274 263 G HA3 -0.315 3.658 3.960 0.022 0.000 0.274 263 G C 0.323 175.291 174.900 0.113 0.000 1.159 263 G CA 0.237 45.361 45.100 0.040 0.000 0.969 263 G HN 0.600 nan 8.290 nan 0.000 0.554 264 E N 0.909 121.174 120.200 0.108 0.000 2.465 264 E HA 0.183 4.546 4.350 0.022 0.000 0.191 264 E C 0.258 177.053 176.600 0.324 0.000 1.053 264 E CA 0.463 56.960 56.400 0.162 0.000 0.869 264 E CB 0.228 29.970 29.700 0.070 0.000 0.977 264 E HN 0.348 nan 8.360 nan 0.000 0.483 265 T N 1.456 116.171 114.554 0.269 0.000 2.767 265 T HA 0.098 4.461 4.350 0.022 0.000 0.288 265 T C -0.101 174.653 174.700 0.090 0.000 0.963 265 T CA -0.349 61.853 62.100 0.170 0.000 1.019 265 T CB 1.563 70.470 68.868 0.064 0.000 0.923 265 T HN 0.042 nan 8.240 nan 0.000 0.468 266 Q N 3.641 123.281 119.800 -0.266 0.000 2.344 266 Q HA 0.228 4.581 4.340 0.022 0.000 0.253 266 Q C 0.521 176.258 176.000 -0.438 0.000 1.050 266 Q CA -0.365 54.888 55.803 -0.917 0.000 0.912 266 Q CB 0.553 28.486 28.738 -1.342 0.000 1.258 266 Q HN 0.548 nan 8.270 nan 0.000 0.443 267 V N 3.246 122.981 119.914 -0.298 0.000 2.379 267 V HA 0.066 4.199 4.120 0.022 0.000 0.245 267 V C 0.581 176.578 176.094 -0.163 0.000 1.044 267 V CA 1.647 63.872 62.300 -0.125 0.000 1.036 267 V CB -0.103 31.746 31.823 0.042 0.000 0.664 267 V HN 0.826 nan 8.190 nan 0.000 0.453 268 A N -1.540 121.147 122.820 -0.223 0.000 2.610 268 A HA 0.767 5.101 4.320 0.022 0.000 0.291 268 A C -0.770 176.693 177.584 -0.201 0.000 1.086 268 A CA 0.060 51.993 52.037 -0.174 0.000 0.677 268 A CB 1.932 20.871 19.000 -0.102 0.000 1.278 268 A HN 0.091 nan 8.150 nan 0.000 0.414 269 S N -1.035 114.582 115.700 -0.139 0.000 2.535 269 S HA 0.760 5.243 4.470 0.022 0.000 0.272 269 S C -0.619 173.942 174.600 -0.064 0.000 1.149 269 S CA 0.246 58.383 58.200 -0.105 0.000 0.888 269 S CB 1.565 64.693 63.200 -0.121 0.000 1.110 269 S HN 2.330 nan 8.310 nan 0.000 0.463 270 G N 1.787 110.562 108.800 -0.042 0.000 2.719 270 G HA2 0.654 4.628 3.960 0.022 0.000 0.298 270 G HA3 0.654 4.628 3.960 0.022 0.000 0.298 270 G C -1.344 173.543 174.900 -0.022 0.000 1.411 270 G CA -0.421 44.658 45.100 -0.035 0.000 0.991 270 G HN 0.715 nan 8.290 nan 0.000 0.509 271 T N -0.209 114.334 114.554 -0.019 0.000 2.900 271 T HA 0.875 5.239 4.350 0.022 0.000 0.295 271 T C -0.361 174.307 174.700 -0.055 0.000 1.044 271 T CA -0.026 62.066 62.100 -0.013 0.000 0.995 271 T CB 1.877 70.772 68.868 0.045 0.000 1.072 271 T HN 1.643 nan 8.240 nan 0.000 0.473 272 A N 3.146 125.899 122.820 -0.111 0.000 2.599 272 A HA 0.860 5.193 4.320 0.022 0.000 0.294 272 A C -3.111 174.339 177.584 -0.224 0.000 1.055 272 A CA -1.421 50.535 52.037 -0.135 0.000 0.683 272 A CB 1.211 20.136 19.000 -0.125 0.000 1.278 272 A HN 0.537 nan 8.150 nan 0.000 0.412 273 P HA 0.551 nan 4.420 nan 0.000 0.279 273 P C -0.599 176.569 177.300 -0.219 0.000 1.276 273 P CA -0.272 62.723 63.100 -0.175 0.000 0.801 273 P CB 0.417 32.082 31.700 -0.058 0.000 1.127 274 F N -0.425 119.488 119.950 -0.062 0.000 2.450 274 F HA 0.479 5.019 4.527 0.022 0.000 0.339 274 F C 1.439 177.222 175.800 -0.027 0.000 1.146 274 F CA 1.470 59.443 58.000 -0.045 0.000 1.267 274 F CB 0.158 39.126 39.000 -0.054 0.000 1.178 274 F HN 0.595 nan 8.300 nan 0.000 0.585 275 G N 1.460 110.385 108.800 0.210 0.000 2.951 275 G HA2 0.383 4.357 3.960 0.022 0.000 0.508 275 G HA3 0.383 4.357 3.960 0.022 0.000 0.508 275 G C -0.490 174.464 174.900 0.089 0.000 1.203 275 G CA -0.718 44.455 45.100 0.123 0.000 1.209 275 G HN 1.032 nan 8.290 nan 0.000 0.552 276 G N 0.665 109.534 108.800 0.115 0.000 2.557 276 G HA2 0.738 4.711 3.960 0.022 0.000 0.292 276 G HA3 0.738 4.711 3.960 0.022 0.000 0.292 276 G C 0.451 175.392 174.900 0.067 0.000 1.237 276 G CA -0.004 45.154 45.100 0.095 0.000 0.978 276 G HN 1.141 nan 8.290 nan 0.000 0.498 277 E N -0.996 119.237 120.200 0.055 0.000 2.425 277 E HA 0.165 4.529 4.350 0.022 0.000 0.258 277 E C -0.168 176.452 176.600 0.033 0.000 1.151 277 E CA -0.472 55.949 56.400 0.035 0.000 0.958 277 E CB 0.853 30.570 29.700 0.028 0.000 0.968 277 E HN 0.285 nan 8.360 nan 0.000 0.451 278 I N 1.945 122.523 120.570 0.013 0.000 2.618 278 I HA -0.077 4.106 4.170 0.022 0.000 0.284 278 I C 0.896 177.015 176.117 0.004 0.000 1.146 278 I CA 0.370 61.669 61.300 -0.002 0.000 1.425 278 I CB 0.308 38.304 38.000 -0.007 0.000 1.383 278 I HN 0.623 nan 8.210 nan 0.000 0.562 279 I N 4.000 124.563 120.570 -0.011 0.000 3.300 279 I HA 0.011 4.194 4.170 0.022 0.000 0.279 279 I C 0.192 176.302 176.117 -0.012 0.000 1.172 279 I CA 0.493 61.794 61.300 0.002 0.000 1.431 279 I CB 0.266 38.274 38.000 0.012 0.000 1.240 279 I HN 0.730 nan 8.210 nan 0.000 0.453 280 D N -1.635 118.744 120.400 -0.035 0.000 2.921 280 D HA 0.109 4.763 4.640 0.022 0.000 0.329 280 D C 0.274 176.554 176.300 -0.034 0.000 1.293 280 D CA -0.515 53.468 54.000 -0.029 0.000 0.964 280 D CB 0.340 41.122 40.800 -0.030 0.000 1.435 280 D HN -0.259 nan 8.370 nan 0.000 0.548 281 E N -1.070 119.113 120.200 -0.028 0.000 2.267 281 E HA -0.046 4.318 4.350 0.022 0.000 0.197 281 E C 1.308 177.887 176.600 -0.035 0.000 0.998 281 E CA 0.899 57.283 56.400 -0.026 0.000 0.830 281 E CB -0.011 29.677 29.700 -0.020 0.000 0.751 281 E HN 0.191 nan 8.360 nan 0.000 0.491 282 R N -0.380 120.090 120.500 -0.050 0.000 2.317 282 R HA 0.281 4.634 4.340 0.022 0.000 0.208 282 R C 0.832 177.087 176.300 -0.074 0.000 0.914 282 R CA 0.710 56.774 56.100 -0.060 0.000 1.060 282 R CB 0.552 30.810 30.300 -0.069 0.000 1.015 282 R HN 0.217 nan 8.270 nan 0.000 0.498 283 G N -0.712 108.044 108.800 -0.073 0.000 2.408 283 G HA2 -0.097 3.877 3.960 0.022 0.000 0.204 283 G HA3 -0.097 3.877 3.960 0.022 0.000 0.204 283 G C -0.214 174.625 174.900 -0.102 0.000 1.186 283 G CA -0.603 44.453 45.100 -0.074 0.000 1.139 283 G HN 0.478 nan 8.290 nan 0.000 0.563 284 G N -2.046 106.689 108.800 -0.110 0.000 3.176 284 G HA2 0.638 4.611 3.960 0.022 0.000 0.272 284 G HA3 0.638 4.611 3.960 0.022 0.000 0.272 284 G C -1.610 173.174 174.900 -0.193 0.000 1.349 284 G CA -0.685 44.341 45.100 -0.123 0.000 0.953 284 G HN 0.777 nan 8.290 nan 0.000 0.559 285 Y N 1.125 121.431 120.300 0.011 0.000 2.504 285 Y HA 0.432 4.995 4.550 0.021 0.000 0.351 285 Y C 1.445 177.359 175.900 0.024 0.000 0.988 285 Y CA 0.198 58.305 58.100 0.012 0.000 1.239 285 Y CB 1.578 40.049 38.460 0.017 0.000 1.128 285 Y HN 0.539 nan 8.280 nan 0.000 0.525 286 A N 1.865 124.750 122.820 0.109 0.000 2.066 286 A HA -0.130 4.203 4.320 0.022 0.000 0.218 286 A C 1.477 179.109 177.584 0.080 0.000 1.157 286 A CA 1.381 53.464 52.037 0.078 0.000 0.670 286 A CB -0.240 18.770 19.000 0.016 0.000 0.804 286 A HN 0.776 nan 8.150 nan 0.000 0.453 287 D N -0.839 119.601 120.400 0.067 0.000 2.358 287 D HA 0.115 4.769 4.640 0.022 0.000 0.224 287 D C 0.483 176.790 176.300 0.010 0.000 1.123 287 D CA -0.029 53.914 54.000 -0.096 0.000 0.833 287 D CB -0.020 40.719 40.800 -0.101 0.000 0.946 287 D HN 0.388 nan 8.370 nan 0.000 0.505 288 R N -0.790 119.857 120.500 0.246 0.000 2.836 288 R HA 0.740 5.093 4.340 0.022 0.000 0.269 288 R C -1.601 174.879 176.300 0.300 0.000 1.010 288 R CA -1.120 55.147 56.100 0.278 0.000 0.930 288 R CB 3.076 33.414 30.300 0.065 0.000 1.218 288 R HN -0.028 nan 8.270 nan 0.000 0.473 289 V N 0.385 120.390 119.914 0.152 0.000 2.969 289 V HA 0.492 4.625 4.120 0.022 0.000 0.304 289 V C -1.515 174.559 176.094 -0.034 0.000 1.192 289 V CA -0.287 62.012 62.300 -0.002 0.000 0.962 289 V CB 2.750 34.441 31.823 -0.220 0.000 1.045 289 V HN 0.807 nan 8.190 nan 0.000 0.428 290 T N 7.359 121.892 114.554 -0.035 0.000 2.786 290 T HA 0.606 4.969 4.350 0.022 0.000 0.283 290 T C -0.977 173.696 174.700 -0.044 0.000 0.992 290 T CA -0.400 61.681 62.100 -0.032 0.000 0.954 290 T CB 1.040 69.898 68.868 -0.016 0.000 0.934 290 T HN 0.427 nan 8.240 nan 0.000 0.440 291 L N 3.592 124.787 121.223 -0.046 0.000 2.325 291 L HA 0.593 4.946 4.340 0.022 0.000 0.278 291 L C 0.419 177.267 176.870 -0.037 0.000 1.023 291 L CA -0.482 54.329 54.840 -0.048 0.000 0.811 291 L CB 1.439 43.466 42.059 -0.053 0.000 1.249 291 L HN 0.548 nan 8.230 nan 0.000 0.431 292 R N 3.293 123.770 120.500 -0.037 0.000 2.476 292 R HA 0.638 4.991 4.340 0.022 0.000 0.305 292 R C -1.393 174.884 176.300 -0.038 0.000 0.965 292 R CA -0.936 55.141 56.100 -0.037 0.000 0.867 292 R CB 2.002 32.281 30.300 -0.036 0.000 1.176 292 R HN 0.235 nan 8.270 nan 0.000 0.447 293 L N 2.829 124.029 121.223 -0.037 0.000 2.313 293 L HA 0.374 4.727 4.340 0.022 0.000 0.283 293 L C -0.226 176.622 176.870 -0.036 0.000 1.013 293 L CA -0.617 54.202 54.840 -0.036 0.000 0.816 293 L CB 1.538 43.579 42.059 -0.030 0.000 1.236 293 L HN 0.468 nan 8.230 nan 0.000 0.419 294 N N 1.351 120.025 118.700 -0.044 0.000 2.499 294 N HA 0.617 5.371 4.740 0.022 0.000 0.281 294 N C -1.114 174.358 175.510 -0.063 0.000 1.098 294 N CA -0.269 52.751 53.050 -0.049 0.000 0.979 294 N CB 1.500 39.960 38.487 -0.046 0.000 1.121 294 N HN 0.264 nan 8.380 nan 0.000 0.466 295 V N 1.815 121.679 119.914 -0.083 0.000 2.524 295 V HA 0.260 4.394 4.120 0.022 0.000 0.297 295 V C -0.600 175.421 176.094 -0.122 0.000 1.035 295 V CA -0.878 61.337 62.300 -0.141 0.000 0.867 295 V CB 1.526 33.171 31.823 -0.296 0.000 1.004 295 V HN 0.561 nan 8.190 nan 0.000 0.426 296 E N 2.871 123.020 120.200 -0.084 0.000 2.249 296 E HA 0.317 4.681 4.350 0.022 0.000 0.280 296 E C 0.182 176.758 176.600 -0.040 0.000 1.016 296 E CA -0.462 55.910 56.400 -0.046 0.000 0.830 296 E CB 0.666 30.349 29.700 -0.028 0.000 1.081 296 E HN 0.747 nan 8.360 nan 0.000 0.395 297 N N 1.224 119.920 118.700 -0.007 0.000 2.688 297 N HA -0.149 4.604 4.740 0.022 0.000 0.258 297 N C -2.448 173.060 175.510 -0.004 0.000 1.016 297 N CA 0.195 53.255 53.050 0.016 0.000 0.747 297 N CB -1.022 37.477 38.487 0.020 0.000 0.895 297 N HN 0.345 nan 8.380 nan 0.000 0.543 298 P HA 0.002 nan 4.420 nan 0.000 0.268 298 P C -0.540 176.780 177.300 0.032 0.000 1.205 298 P CA 0.288 63.281 63.100 -0.178 0.000 0.771 298 P CB 0.759 32.119 31.700 -0.566 0.000 0.858 299 K N 2.926 123.436 120.400 0.183 0.000 2.316 299 K HA 0.284 4.617 4.320 0.022 0.000 0.289 299 K C 0.267 177.021 176.600 0.257 0.000 1.070 299 K CA -0.412 55.981 56.287 0.177 0.000 0.928 299 K CB 0.191 32.770 32.500 0.131 0.000 1.039 299 K HN 0.425 nan 8.250 nan 0.000 0.480 300 L N 2.534 123.835 121.223 0.131 0.000 2.417 300 L HA 0.252 4.605 4.340 0.022 0.000 0.268 300 L C 0.065 177.008 176.870 0.121 0.000 1.158 300 L CA -0.687 54.226 54.840 0.122 0.000 0.819 300 L CB 0.301 42.270 42.059 -0.150 0.000 1.112 300 L HN 0.607 nan 8.230 nan 0.000 0.458 301 W N 3.272 124.595 121.300 0.038 0.000 2.376 301 W HA 0.497 5.170 4.660 0.021 0.000 0.322 301 W C -0.030 176.450 176.519 -0.065 0.000 1.160 301 W CA 0.128 57.491 57.345 0.030 0.000 1.218 301 W CB 1.342 30.877 29.460 0.125 0.000 1.205 301 W HN 0.644 nan 8.180 nan 0.000 0.559 302 S N 2.733 117.928 115.700 -0.843 0.000 2.636 302 S HA 0.599 5.082 4.470 0.022 0.000 0.268 302 S C -0.014 173.870 174.600 -1.193 0.000 1.159 302 S CA -0.371 57.410 58.200 -0.699 0.000 0.815 302 S CB 0.992 64.055 63.200 -0.227 0.000 1.130 302 S HN 1.027 nan 8.310 nan 0.000 0.471 303 A N 0.381 122.669 122.820 -0.887 0.000 2.066 303 A HA 0.095 4.428 4.320 0.022 0.000 0.218 303 A C 1.740 179.031 177.584 -0.489 0.000 1.157 303 A CA 1.375 52.872 52.037 -0.900 0.000 0.670 303 A CB -0.904 17.417 19.000 -1.132 0.000 0.804 303 A HN 0.854 nan 8.150 nan 0.000 0.453 304 E N -0.715 119.333 120.200 -0.252 0.000 2.072 304 E HA 0.043 4.407 4.350 0.022 0.000 0.190 304 E C -0.225 176.264 176.600 -0.184 0.000 0.982 304 E CA 0.734 57.050 56.400 -0.139 0.000 0.803 304 E CB 0.014 29.766 29.700 0.087 0.000 0.755 304 E HN 0.594 nan 8.360 nan 0.000 0.453 305 I N 1.818 122.253 120.570 -0.225 0.000 2.542 305 I HA 0.152 4.336 4.170 0.022 0.000 0.278 305 I C -2.445 173.467 176.117 -0.342 0.000 1.069 305 I CA -1.824 59.355 61.300 -0.201 0.000 1.100 305 I CB 2.214 40.145 38.000 -0.114 0.000 1.204 305 I HN -0.194 nan 8.210 nan 0.000 0.470 306 P HA 0.054 nan 4.420 nan 0.000 0.225 306 P C -0.572 176.729 177.300 0.002 0.000 1.768 306 P CA -0.219 62.603 63.100 -0.463 0.000 0.943 306 P CB -0.248 31.310 31.700 -0.237 0.000 1.936 307 N N 1.664 120.393 118.700 0.047 0.000 2.447 307 N HA 0.108 4.861 4.740 0.022 0.000 0.263 307 N C 0.103 175.844 175.510 0.384 0.000 1.226 307 N CA 0.521 53.670 53.050 0.166 0.000 0.906 307 N CB 0.734 39.310 38.487 0.148 0.000 1.060 307 N HN 0.336 nan 8.380 nan 0.000 0.468 308 L N 2.492 123.865 121.223 0.251 0.000 2.388 308 L HA 0.465 4.819 4.340 0.022 0.000 0.264 308 L C -0.867 176.119 176.870 0.194 0.000 0.998 308 L CA -0.863 54.169 54.840 0.319 0.000 0.817 308 L CB 1.322 43.533 42.059 0.253 0.000 1.338 308 L HN 0.383 nan 8.230 nan 0.000 0.414 309 Y N 0.501 120.948 120.300 0.246 0.000 2.621 309 Y HA 0.650 5.214 4.550 0.023 0.000 0.334 309 Y C -0.152 175.866 175.900 0.196 0.000 1.074 309 Y CA -0.856 57.390 58.100 0.243 0.000 1.149 309 Y CB 1.718 40.387 38.460 0.349 0.000 1.302 309 Y HN 0.385 nan 8.280 nan 0.000 0.501 310 R N 1.139 121.864 120.500 0.375 0.000 2.437 310 R HA 0.802 5.156 4.340 0.022 0.000 0.310 310 R C -1.616 174.865 176.300 0.302 0.000 0.955 310 R CA -0.527 55.728 56.100 0.259 0.000 0.851 310 R CB 1.013 31.405 30.300 0.153 0.000 1.161 310 R HN 0.744 nan 8.270 nan 0.000 0.446 311 A N 3.879 126.825 122.820 0.209 0.000 2.276 311 A HA 0.637 4.970 4.320 0.022 0.000 0.316 311 A C -1.034 176.612 177.584 0.103 0.000 1.229 311 A CA -0.635 51.505 52.037 0.172 0.000 0.851 311 A CB 1.252 20.321 19.000 0.115 0.000 1.165 311 A HN 0.489 nan 8.150 nan 0.000 0.513 312 V N 3.296 123.277 119.914 0.112 0.000 2.448 312 V HA 0.408 4.541 4.120 0.022 0.000 0.295 312 V C -0.422 175.656 176.094 -0.026 0.000 1.025 312 V CA -0.504 61.806 62.300 0.018 0.000 0.859 312 V CB 1.704 33.545 31.823 0.030 0.000 0.988 312 V HN 0.623 nan 8.190 nan 0.000 0.431 313 V N 4.738 124.575 119.914 -0.129 0.000 2.334 313 V HA 0.427 4.560 4.120 0.022 0.000 0.281 313 V C -0.094 175.953 176.094 -0.078 0.000 1.016 313 V CA -0.590 61.613 62.300 -0.162 0.000 0.832 313 V CB 1.234 32.815 31.823 -0.403 0.000 0.999 313 V HN 0.929 nan 8.190 nan 0.000 0.439 314 E N 4.048 124.252 120.200 0.006 0.000 2.151 314 E HA 0.517 4.881 4.350 0.022 0.000 0.275 314 E C -0.976 175.712 176.600 0.147 0.000 0.936 314 E CA -0.870 55.581 56.400 0.085 0.000 0.777 314 E CB 2.547 32.319 29.700 0.119 0.000 1.108 314 E HN 0.477 nan 8.360 nan 0.000 0.401 315 L N 4.522 125.811 121.223 0.110 0.000 2.272 315 L HA 0.399 4.752 4.340 0.022 0.000 0.289 315 L C -0.984 175.976 176.870 0.150 0.000 1.032 315 L CA 0.097 54.985 54.840 0.080 0.000 0.810 315 L CB 0.016 42.120 42.059 0.075 0.000 1.205 315 L HN 0.679 nan 8.230 nan 0.000 0.422 316 H N 0.283 119.389 119.070 0.059 0.000 2.942 316 H HA 0.809 5.378 4.556 0.022 0.000 0.316 316 H C -0.725 174.671 175.328 0.113 0.000 1.323 316 H CA -0.500 55.589 56.048 0.067 0.000 1.144 316 H CB 0.705 30.488 29.762 0.035 0.000 1.866 316 H HN 0.511 nan 8.280 nan 0.000 0.545 317 T N -2.204 112.494 114.554 0.239 0.000 2.927 317 T HA 0.545 4.908 4.350 0.022 0.000 0.281 317 T C 1.400 176.240 174.700 0.233 0.000 0.998 317 T CA -0.391 61.842 62.100 0.221 0.000 1.019 317 T CB 1.542 70.466 68.868 0.095 0.000 1.061 317 T HN 0.920 nan 8.240 nan 0.000 0.518 318 A N 1.254 124.183 122.820 0.182 0.000 1.978 318 A HA -0.106 4.228 4.320 0.022 0.000 0.220 318 A C 1.798 179.450 177.584 0.113 0.000 1.170 318 A CA 1.987 54.111 52.037 0.146 0.000 0.636 318 A CB -1.285 17.788 19.000 0.122 0.000 0.810 318 A HN 1.031 nan 8.150 nan 0.000 0.448 319 D N -2.638 117.801 120.400 0.064 0.000 2.371 319 D HA 0.285 4.939 4.640 0.022 0.000 0.221 319 D C 1.112 177.433 176.300 0.034 0.000 0.986 319 D CA 1.060 55.076 54.000 0.027 0.000 0.899 319 D CB -0.316 40.472 40.800 -0.019 0.000 0.902 319 D HN 0.784 nan 8.370 nan 0.000 0.530 320 G N -1.146 107.701 108.800 0.080 0.000 2.148 320 G HA2 -0.218 3.755 3.960 0.022 0.000 0.203 320 G HA3 -0.218 3.755 3.960 0.022 0.000 0.203 320 G C 0.163 175.071 174.900 0.014 0.000 0.993 320 G CA 0.045 45.159 45.100 0.024 0.000 0.661 320 G HN 0.381 nan 8.290 nan 0.000 0.518 321 T N 1.717 116.306 114.554 0.058 0.000 2.729 321 T HA 0.507 4.871 4.350 0.022 0.000 0.296 321 T C 0.354 175.110 174.700 0.094 0.000 0.928 321 T CA -0.257 61.870 62.100 0.045 0.000 1.045 321 T CB 1.800 70.681 68.868 0.022 0.000 0.902 321 T HN 0.544 nan 8.240 nan 0.000 0.500 322 L N 4.879 126.137 121.223 0.059 0.000 2.416 322 L HA 0.317 4.671 4.340 0.022 0.000 0.272 322 L C 0.714 177.633 176.870 0.082 0.000 1.161 322 L CA 0.459 55.349 54.840 0.083 0.000 0.845 322 L CB 0.056 42.136 42.059 0.034 0.000 1.119 322 L HN 0.704 nan 8.230 nan 0.000 0.464 323 I N 2.354 122.984 120.570 0.100 0.000 2.947 323 I HA 0.185 4.368 4.170 0.022 0.000 0.263 323 I C 0.203 176.345 176.117 0.043 0.000 1.130 323 I CA 0.318 61.660 61.300 0.069 0.000 1.448 323 I CB 0.248 38.294 38.000 0.077 0.000 1.222 323 I HN 0.810 nan 8.210 nan 0.000 0.453 324 E N 0.477 120.705 120.200 0.046 0.000 2.396 324 E HA 0.674 5.037 4.350 0.022 0.000 0.280 324 E C -1.696 174.928 176.600 0.040 0.000 1.065 324 E CA -0.984 55.433 56.400 0.028 0.000 0.831 324 E CB 1.775 31.456 29.700 -0.033 0.000 1.272 324 E HN -0.003 nan 8.360 nan 0.000 0.443 325 A N 1.615 124.481 122.820 0.077 0.000 2.449 325 A HA 0.737 5.071 4.320 0.022 0.000 0.302 325 A C -1.077 176.625 177.584 0.196 0.000 1.048 325 A CA -0.710 51.383 52.037 0.093 0.000 0.708 325 A CB 1.806 20.859 19.000 0.089 0.000 1.274 325 A HN 0.526 nan 8.150 nan 0.000 0.410 326 E N -0.412 119.845 120.200 0.096 0.000 2.410 326 E HA 0.857 5.220 4.350 0.022 0.000 0.269 326 E C -0.504 176.169 176.600 0.121 0.000 0.937 326 E CA -0.455 56.066 56.400 0.201 0.000 0.793 326 E CB 2.419 32.115 29.700 -0.006 0.000 1.314 326 E HN 1.292 nan 8.360 nan 0.000 0.447 327 A N -0.204 122.802 122.820 0.309 0.000 2.540 327 A HA 0.739 5.072 4.320 0.022 0.000 0.291 327 A C -1.278 176.514 177.584 0.348 0.000 1.083 327 A CA -0.272 51.869 52.037 0.174 0.000 0.650 327 A CB 0.742 19.765 19.000 0.038 0.000 1.292 327 A HN 0.932 nan 8.150 nan 0.000 0.435 328 C N -0.689 118.762 119.300 0.252 0.000 3.312 328 C HA 0.771 5.244 4.460 0.022 0.000 0.332 328 C C -1.532 173.559 174.990 0.168 0.000 1.340 328 C CA -0.922 58.244 59.018 0.246 0.000 1.265 328 C CB 1.014 28.921 27.740 0.277 0.000 1.563 328 C HN 0.831 nan 8.230 nan 0.000 0.471 329 D N 1.213 121.700 120.400 0.144 0.000 2.304 329 D HA 0.517 5.171 4.640 0.022 0.000 0.250 329 D C -0.329 176.027 176.300 0.093 0.000 1.107 329 D CA 0.225 54.307 54.000 0.136 0.000 0.885 329 D CB 1.885 42.770 40.800 0.142 0.000 1.192 329 D HN 0.552 nan 8.370 nan 0.000 0.436 330 V N 1.361 121.354 119.914 0.131 0.000 2.448 330 V HA 0.623 4.756 4.120 0.022 0.000 0.295 330 V C 0.635 176.794 176.094 0.108 0.000 1.025 330 V CA -0.829 61.497 62.300 0.044 0.000 0.859 330 V CB 1.928 33.755 31.823 0.007 0.000 0.988 330 V HN 0.600 nan 8.190 nan 0.000 0.431 331 G N 3.310 112.069 108.800 -0.069 0.000 2.502 331 G HA2 0.605 4.578 3.960 0.022 0.000 0.311 331 G HA3 0.605 4.578 3.960 0.022 0.000 0.311 331 G C -0.977 173.982 174.900 0.098 0.000 1.270 331 G CA -0.386 44.733 45.100 0.033 0.000 0.948 331 G HN 0.437 nan 8.290 nan 0.000 0.487 332 F N 4.145 124.268 119.950 0.287 0.000 2.434 332 F HA 0.441 4.981 4.527 0.022 0.000 0.358 332 F C 1.121 177.181 175.800 0.433 0.000 1.136 332 F CA -0.177 58.057 58.000 0.389 0.000 1.157 332 F CB 0.651 39.885 39.000 0.390 0.000 1.167 332 F HN 0.440 nan 8.300 nan 0.000 0.539 333 R N 2.970 123.786 120.500 0.528 0.000 2.629 333 R HA 0.397 4.750 4.340 0.022 0.000 0.266 333 R C -1.838 174.628 176.300 0.277 0.000 1.051 333 R CA -0.775 55.474 56.100 0.247 0.000 0.895 333 R CB 1.559 32.036 30.300 0.295 0.000 1.246 333 R HN 0.592 nan 8.270 nan 0.000 0.459 334 E N 2.345 122.608 120.200 0.107 0.000 2.171 334 E HA 0.460 4.824 4.350 0.022 0.000 0.271 334 E C -1.218 175.462 176.600 0.132 0.000 0.916 334 E CA -0.909 55.628 56.400 0.228 0.000 0.774 334 E CB 2.054 31.958 29.700 0.338 0.000 1.128 334 E HN 0.406 nan 8.360 nan 0.000 0.403 335 V N 5.687 125.672 119.914 0.119 0.000 2.409 335 V HA 0.565 4.699 4.120 0.022 0.000 0.291 335 V C -0.224 175.914 176.094 0.074 0.000 1.020 335 V CA -0.625 61.716 62.300 0.068 0.000 0.848 335 V CB 1.096 32.939 31.823 0.033 0.000 0.990 335 V HN 0.741 nan 8.190 nan 0.000 0.430 336 R N 4.258 124.798 120.500 0.066 0.000 2.692 336 R HA 0.733 5.086 4.340 0.022 0.000 0.269 336 R C -2.039 174.290 176.300 0.049 0.000 1.030 336 R CA -0.934 55.205 56.100 0.066 0.000 0.882 336 R CB 1.904 32.257 30.300 0.089 0.000 1.250 336 R HN 0.499 nan 8.270 nan 0.000 0.465 337 I N 1.364 121.962 120.570 0.047 0.000 2.339 337 I HA 0.359 4.543 4.170 0.022 0.000 0.290 337 I C -0.585 175.556 176.117 0.039 0.000 0.994 337 I CA -0.447 60.874 61.300 0.036 0.000 1.191 337 I CB 1.834 39.857 38.000 0.037 0.000 1.343 337 I HN 0.700 nan 8.210 nan 0.000 0.458 338 E N 5.691 125.910 120.200 0.032 0.000 2.275 338 E HA 0.247 4.611 4.350 0.022 0.000 0.270 338 E C -0.268 176.346 176.600 0.023 0.000 0.882 338 E CA -0.596 55.824 56.400 0.033 0.000 0.758 338 E CB 1.132 30.857 29.700 0.043 0.000 1.195 338 E HN 0.538 nan 8.360 nan 0.000 0.419 339 N N 3.125 121.838 118.700 0.022 0.000 2.721 339 N HA -0.238 4.515 4.740 0.022 0.000 0.249 339 N C 0.424 175.941 175.510 0.010 0.000 1.072 339 N CA 2.036 55.096 53.050 0.016 0.000 0.710 339 N CB -1.181 37.314 38.487 0.014 0.000 0.993 339 N HN 0.964 nan 8.380 nan 0.000 0.547 340 G N -2.167 106.640 108.800 0.012 0.000 2.159 340 G HA2 -0.281 3.693 3.960 0.022 0.000 0.256 340 G HA3 -0.281 3.693 3.960 0.022 0.000 0.256 340 G C -0.103 174.794 174.900 -0.006 0.000 0.977 340 G CA 0.513 45.616 45.100 0.005 0.000 0.652 340 G HN 0.476 nan 8.290 nan 0.000 0.531 341 L N 0.004 121.224 121.223 -0.005 0.000 2.365 341 L HA 0.672 5.025 4.340 0.022 0.000 0.273 341 L C 0.122 176.982 176.870 -0.016 0.000 1.000 341 L CA -1.321 53.508 54.840 -0.018 0.000 0.819 341 L CB 1.875 43.923 42.059 -0.018 0.000 1.284 341 L HN 0.096 nan 8.230 nan 0.000 0.418 342 L N 4.698 125.900 121.223 -0.036 0.000 2.315 342 L HA 0.414 4.767 4.340 0.022 0.000 0.283 342 L C -0.828 176.018 176.870 -0.040 0.000 1.089 342 L CA 0.467 55.286 54.840 -0.035 0.000 0.833 342 L CB 0.247 42.271 42.059 -0.058 0.000 1.170 342 L HN 0.394 nan 8.230 nan 0.000 0.442 343 L N 5.811 127.027 121.223 -0.012 0.000 2.334 343 L HA 0.552 4.905 4.340 0.022 0.000 0.276 343 L C -0.874 176.000 176.870 0.007 0.000 1.014 343 L CA -0.877 53.962 54.840 -0.001 0.000 0.815 343 L CB 1.895 43.976 42.059 0.037 0.000 1.268 343 L HN 0.523 nan 8.230 nan 0.000 0.428 344 L N 3.753 124.985 121.223 0.015 0.000 2.343 344 L HA 0.499 4.852 4.340 0.022 0.000 0.278 344 L C -0.106 176.786 176.870 0.036 0.000 0.996 344 L CA 0.058 54.923 54.840 0.041 0.000 0.831 344 L CB 0.959 43.056 42.059 0.064 0.000 1.232 344 L HN 0.576 nan 8.230 nan 0.000 0.413 345 N N 4.290 122.882 118.700 -0.180 0.000 2.727 345 N HA -0.223 4.530 4.740 0.022 0.000 0.249 345 N C 0.979 176.088 175.510 -0.668 0.000 1.048 345 N CA 1.336 53.924 53.050 -0.770 0.000 0.714 345 N CB -1.210 36.767 38.487 -0.850 0.000 0.959 345 N HN 1.227 nan 8.380 nan 0.000 0.544 346 G N -2.051 106.686 108.800 -0.104 0.000 2.179 346 G HA2 -0.351 3.622 3.960 0.022 0.000 0.260 346 G HA3 -0.351 3.622 3.960 0.022 0.000 0.260 346 G C -0.032 174.896 174.900 0.048 0.000 0.977 346 G CA 0.904 46.061 45.100 0.096 0.000 0.641 346 G HN 0.398 nan 8.290 nan 0.000 0.533 347 K N 0.989 121.402 120.400 0.023 0.000 2.207 347 K HA 0.527 4.861 4.320 0.022 0.000 0.255 347 K C -2.659 173.909 176.600 -0.054 0.000 0.941 347 K CA -2.362 53.902 56.287 -0.038 0.000 0.825 347 K CB 2.369 34.771 32.500 -0.163 0.000 1.119 347 K HN 0.119 nan 8.250 nan 0.000 0.430 348 P HA 0.168 nan 4.420 nan 0.000 0.276 348 P C -0.223 177.010 177.300 -0.113 0.000 1.253 348 P CA -0.186 62.866 63.100 -0.079 0.000 0.766 348 P CB 0.587 32.246 31.700 -0.070 0.000 0.845 349 L N 3.716 124.866 121.223 -0.122 0.000 2.436 349 L HA 0.287 4.640 4.340 0.022 0.000 0.265 349 L C 0.686 177.467 176.870 -0.148 0.000 1.168 349 L CA -0.682 54.071 54.840 -0.145 0.000 0.815 349 L CB 0.466 42.398 42.059 -0.213 0.000 1.109 349 L HN 0.291 nan 8.230 nan 0.000 0.462 350 L N 4.188 125.339 121.223 -0.121 0.000 2.388 350 L HA 0.402 4.755 4.340 0.022 0.000 0.267 350 L C -0.438 176.373 176.870 -0.098 0.000 0.995 350 L CA -0.269 54.486 54.840 -0.142 0.000 0.864 350 L CB 0.827 42.836 42.059 -0.082 0.000 1.216 350 L HN 0.255 nan 8.230 nan 0.000 0.430 351 I N 4.889 125.332 120.570 -0.212 0.000 2.494 351 I HA 0.135 4.318 4.170 0.022 0.000 0.289 351 I C 0.621 176.683 176.117 -0.093 0.000 1.106 351 I CA 0.334 61.518 61.300 -0.193 0.000 1.369 351 I CB 0.047 37.812 38.000 -0.390 0.000 1.410 351 I HN 0.542 nan 8.210 nan 0.000 0.523 352 R N 4.886 125.431 120.500 0.075 0.000 3.070 352 R HA 0.440 4.794 4.340 0.022 0.000 0.252 352 R C 0.549 176.969 176.300 0.201 0.000 1.370 352 R CA -0.270 55.931 56.100 0.168 0.000 1.482 352 R CB 0.813 31.042 30.300 -0.119 0.000 1.220 352 R HN 0.762 nan 8.270 nan 0.000 0.622 353 G N 0.055 108.918 108.800 0.106 0.000 2.597 353 G HA2 0.609 4.583 3.960 0.022 0.000 0.317 353 G HA3 0.609 4.583 3.960 0.022 0.000 0.317 353 G C -1.316 173.866 174.900 0.469 0.000 1.230 353 G CA -0.469 44.707 45.100 0.127 0.000 0.996 353 G HN 0.211 nan 8.290 nan 0.000 0.490 354 V N -0.190 119.981 119.914 0.429 0.000 3.012 354 V HA 0.459 4.592 4.120 0.022 0.000 0.307 354 V C -1.239 174.989 176.094 0.224 0.000 1.166 354 V CA -1.204 61.250 62.300 0.256 0.000 0.974 354 V CB 2.237 33.936 31.823 -0.206 0.000 1.040 354 V HN 0.754 nan 8.190 nan 0.000 0.428 355 N N 4.240 123.005 118.700 0.109 0.000 2.514 355 N HA 0.413 5.166 4.740 0.022 0.000 0.277 355 N C -0.704 174.634 175.510 -0.287 0.000 1.126 355 N CA -0.249 52.740 53.050 -0.100 0.000 0.978 355 N CB 1.429 39.853 38.487 -0.105 0.000 1.106 355 N HN 0.619 nan 8.380 nan 0.000 0.461 356 R N 2.311 122.608 120.500 -0.338 0.000 2.483 356 R HA 0.211 4.565 4.340 0.022 0.000 0.303 356 R C -0.936 175.138 176.300 -0.375 0.000 0.987 356 R CA -0.559 55.349 56.100 -0.320 0.000 0.881 356 R CB 0.687 30.772 30.300 -0.359 0.000 1.177 356 R HN 0.572 nan 8.270 nan 0.000 0.451 357 H N 2.142 121.064 119.070 -0.246 0.000 2.505 357 H HA 0.154 4.724 4.556 0.023 0.000 0.355 357 H C -0.478 174.846 175.328 -0.006 0.000 1.179 357 H CA 0.022 56.010 56.048 -0.100 0.000 1.343 357 H CB 1.448 31.201 29.762 -0.014 0.000 1.501 357 H HN 0.576 nan 8.280 nan 0.000 0.569 358 E N 1.924 122.323 120.200 0.332 0.000 2.001 358 E HA 0.125 4.488 4.350 0.022 0.000 0.279 358 E C -0.710 176.042 176.600 0.253 0.000 1.045 358 E CA -0.066 56.453 56.400 0.199 0.000 0.833 358 E CB 0.406 30.239 29.700 0.222 0.000 1.077 358 E HN 0.383 nan 8.360 nan 0.000 0.397 359 H N 1.694 120.821 119.070 0.094 0.000 2.865 359 H HA 0.263 4.832 4.556 0.022 0.000 0.362 359 H C -1.694 173.678 175.328 0.074 0.000 1.114 359 H CA -0.652 55.441 56.048 0.075 0.000 1.208 359 H CB 1.130 30.924 29.762 0.053 0.000 1.727 359 H HN 0.410 nan 8.280 nan 0.000 0.534 360 H N 6.196 124.885 119.070 -0.635 0.000 2.759 360 H HA 0.213 4.782 4.556 0.022 0.000 0.354 360 H C -2.296 172.625 175.328 -0.679 0.000 1.074 360 H CA -2.350 53.421 56.048 -0.461 0.000 1.226 360 H CB 2.821 32.446 29.762 -0.229 0.000 1.648 360 H HN 0.548 nan 8.280 nan 0.000 0.529 361 P HA -0.087 nan 4.420 nan 0.000 0.221 361 P C 0.994 178.172 177.300 -0.204 0.000 1.145 361 P CA 0.854 63.760 63.100 -0.324 0.000 0.795 361 P CB 0.867 32.417 31.700 -0.250 0.000 0.775 362 L N -2.034 119.173 121.223 -0.027 0.000 2.547 362 L HA 0.157 4.511 4.340 0.022 0.000 0.218 362 L C 2.142 178.960 176.870 -0.086 0.000 1.048 362 L CA 0.419 55.199 54.840 -0.099 0.000 0.859 362 L CB -0.531 41.421 42.059 -0.179 0.000 1.128 362 L HN -0.018 nan 8.230 nan 0.000 0.483 363 H N -0.352 118.698 119.070 -0.034 0.000 2.551 363 H HA 0.267 4.836 4.556 0.022 0.000 0.271 363 H C 1.475 176.707 175.328 -0.161 0.000 0.984 363 H CA 0.113 56.058 56.048 -0.172 0.000 1.164 363 H CB 0.483 30.041 29.762 -0.339 0.000 1.437 363 H HN 0.397 nan 8.280 nan 0.000 0.550 364 G N 1.729 110.460 108.800 -0.115 0.000 2.595 364 G HA2 -0.398 3.576 3.960 0.022 0.000 0.297 364 G HA3 -0.398 3.576 3.960 0.022 0.000 0.297 364 G C 0.717 175.547 174.900 -0.116 0.000 1.181 364 G CA 0.477 45.459 45.100 -0.197 0.000 0.963 364 G HN 0.485 nan 8.290 nan 0.000 0.541 365 Q N -0.028 119.733 119.800 -0.064 0.000 2.198 365 Q HA 0.479 4.832 4.340 0.022 0.000 0.209 365 Q C 0.149 176.255 176.000 0.177 0.000 0.848 365 Q CA -0.145 55.672 55.803 0.023 0.000 0.974 365 Q CB 1.565 30.226 28.738 -0.129 0.000 1.115 365 Q HN 0.346 nan 8.270 nan 0.000 0.494 366 V N 2.264 122.255 119.914 0.128 0.000 2.461 366 V HA 0.179 4.312 4.120 0.022 0.000 0.275 366 V C 0.141 176.294 176.094 0.098 0.000 1.047 366 V CA 0.115 62.493 62.300 0.130 0.000 0.955 366 V CB 0.937 32.774 31.823 0.023 0.000 0.988 366 V HN 0.328 nan 8.190 nan 0.000 0.471 367 M N 5.452 125.119 119.600 0.111 0.000 2.423 367 M HA 0.499 4.992 4.480 0.022 0.000 0.335 367 M C -0.375 175.918 176.300 -0.011 0.000 1.177 367 M CA -0.545 54.791 55.300 0.059 0.000 1.038 367 M CB 1.751 34.375 32.600 0.040 0.000 1.641 367 M HN 0.817 nan 8.290 nan 0.000 0.455 368 D N 0.405 120.798 120.400 -0.012 0.000 2.490 368 D HA 0.228 4.881 4.640 0.022 0.000 0.232 368 D C 0.127 176.416 176.300 -0.018 0.000 1.053 368 D CA -0.460 53.526 54.000 -0.024 0.000 0.914 368 D CB 1.870 42.680 40.800 0.017 0.000 1.431 368 D HN 0.715 nan 8.370 nan 0.000 0.483 369 E N 0.211 120.405 120.200 -0.010 0.000 2.077 369 E HA -0.273 4.090 4.350 0.022 0.000 0.193 369 E C 1.834 178.479 176.600 0.075 0.000 0.989 369 E CA 1.214 57.633 56.400 0.032 0.000 0.800 369 E CB 0.151 29.882 29.700 0.053 0.000 0.746 369 E HN 0.565 nan 8.360 nan 0.000 0.452 370 Q N -0.282 119.565 119.800 0.078 0.000 2.077 370 Q HA -0.175 4.178 4.340 0.022 0.000 0.206 370 Q C 1.951 178.016 176.000 0.108 0.000 0.989 370 Q CA 2.396 58.255 55.803 0.094 0.000 0.853 370 Q CB -0.047 28.748 28.738 0.094 0.000 0.907 370 Q HN 0.250 nan 8.270 nan 0.000 0.418 371 T N 0.586 115.214 114.554 0.124 0.000 2.821 371 T HA -0.091 4.272 4.350 0.022 0.000 0.267 371 T C 1.766 176.549 174.700 0.140 0.000 1.046 371 T CA 1.379 63.566 62.100 0.145 0.000 1.139 371 T CB -0.110 68.876 68.868 0.198 0.000 0.871 371 T HN 0.308 nan 8.240 nan 0.000 0.454 372 M N 0.555 120.240 119.600 0.141 0.000 2.086 372 M HA -0.083 4.410 4.480 0.022 0.000 0.261 372 M C 2.460 178.872 176.300 0.186 0.000 1.067 372 M CA 1.304 56.745 55.300 0.235 0.000 1.116 372 M CB -0.595 32.169 32.600 0.275 0.000 1.348 372 M HN 0.094 nan 8.290 nan 0.000 0.407 373 V N 0.347 120.319 119.914 0.097 0.000 2.295 373 V HA -0.303 3.831 4.120 0.022 0.000 0.246 373 V C 2.348 178.426 176.094 -0.027 0.000 1.049 373 V CA 2.135 64.429 62.300 -0.010 0.000 1.024 373 V CB -0.918 30.941 31.823 0.060 0.000 0.648 373 V HN 0.568 nan 8.190 nan 0.000 0.447 374 Q N -0.259 119.576 119.800 0.058 0.000 2.096 374 Q HA -0.281 4.073 4.340 0.022 0.000 0.204 374 Q C 1.946 178.017 176.000 0.118 0.000 0.982 374 Q CA 2.232 58.086 55.803 0.085 0.000 0.850 374 Q CB -0.155 28.649 28.738 0.109 0.000 0.901 374 Q HN 0.623 nan 8.270 nan 0.000 0.422 375 D N 0.337 120.824 120.400 0.146 0.000 2.097 375 D HA -0.124 4.530 4.640 0.022 0.000 0.197 375 D C 1.963 178.231 176.300 -0.052 0.000 0.984 375 D CA 1.136 55.235 54.000 0.165 0.000 0.826 375 D CB -0.194 40.689 40.800 0.137 0.000 0.973 375 D HN 0.362 nan 8.370 nan 0.000 0.460 376 I N 0.682 121.205 120.570 -0.078 0.000 2.226 376 I HA -0.239 3.944 4.170 0.022 0.000 0.245 376 I C 2.437 178.414 176.117 -0.232 0.000 1.100 376 I CA 0.656 61.809 61.300 -0.245 0.000 1.374 376 I CB -0.147 37.597 38.000 -0.426 0.000 1.057 376 I HN 0.002 nan 8.210 nan 0.000 0.413 377 L N 0.137 121.258 121.223 -0.170 0.000 2.017 377 L HA -0.232 4.122 4.340 0.022 0.000 0.208 377 L C 2.573 179.499 176.870 0.093 0.000 1.073 377 L CA 1.434 56.256 54.840 -0.030 0.000 0.745 377 L CB -0.559 41.507 42.059 0.011 0.000 0.894 377 L HN 0.274 nan 8.230 nan 0.000 0.432 378 L N -1.037 120.269 121.223 0.137 0.000 2.083 378 L HA -0.254 4.099 4.340 0.022 0.000 0.209 378 L C 2.665 179.696 176.870 0.267 0.000 1.083 378 L CA 1.324 56.329 54.840 0.275 0.000 0.752 378 L CB -0.333 41.994 42.059 0.445 0.000 0.899 378 L HN 0.314 nan 8.230 nan 0.000 0.433 379 M N -0.583 119.008 119.600 -0.014 0.000 2.067 379 M HA -0.225 4.269 4.480 0.022 0.000 0.260 379 M C 2.316 178.692 176.300 0.127 0.000 1.069 379 M CA 1.865 57.085 55.300 -0.134 0.000 1.117 379 M CB -0.312 31.986 32.600 -0.502 0.000 1.334 379 M HN 0.059 nan 8.290 nan 0.000 0.407 380 K N -0.005 120.368 120.400 -0.044 0.000 2.097 380 K HA -0.184 4.150 4.320 0.022 0.000 0.206 380 K C 1.929 178.488 176.600 -0.069 0.000 1.049 380 K CA 1.302 57.452 56.287 -0.228 0.000 0.933 380 K CB -0.217 31.935 32.500 -0.580 0.000 0.717 380 K HN 0.455 nan 8.250 nan 0.000 0.442 381 Q N 0.280 120.215 119.800 0.226 0.000 2.364 381 Q HA -0.030 4.324 4.340 0.022 0.000 0.207 381 Q C 0.713 177.015 176.000 0.502 0.000 0.970 381 Q CA 0.677 56.740 55.803 0.433 0.000 0.888 381 Q CB 0.173 29.141 28.738 0.383 0.000 0.951 381 Q HN 0.260 nan 8.270 nan 0.000 0.469 382 N N 0.626 119.571 118.700 0.408 0.000 2.328 382 N HA 0.062 4.816 4.740 0.022 0.000 0.247 382 N C -0.693 174.944 175.510 0.211 0.000 1.165 382 N CA 0.017 53.308 53.050 0.401 0.000 0.873 382 N CB 0.730 39.535 38.487 0.529 0.000 1.125 382 N HN 0.137 nan 8.380 nan 0.000 0.513 383 N N 0.261 119.084 118.700 0.206 0.000 2.747 383 N HA -0.192 4.562 4.740 0.022 0.000 0.249 383 N C -0.929 174.525 175.510 -0.092 0.000 1.107 383 N CA 0.848 53.978 53.050 0.134 0.000 0.707 383 N CB -1.740 36.742 38.487 -0.009 0.000 1.054 383 N HN 0.265 nan 8.380 nan 0.000 0.555 384 F N 0.902 120.874 119.950 0.036 0.000 2.379 384 F HA 0.338 4.878 4.527 0.022 0.000 0.332 384 F C 1.715 177.507 175.800 -0.013 0.000 1.096 384 F CA -0.667 57.335 58.000 0.004 0.000 1.105 384 F CB 0.948 39.923 39.000 -0.042 0.000 1.189 384 F HN 0.039 nan 8.300 nan 0.000 0.515 385 N N 0.646 119.459 118.700 0.187 0.000 2.160 385 N HA 0.427 5.180 4.740 0.022 0.000 0.226 385 N C -0.879 174.680 175.510 0.081 0.000 1.256 385 N CA -0.032 53.056 53.050 0.062 0.000 0.890 385 N CB 0.746 39.318 38.487 0.142 0.000 1.116 385 N HN 0.466 nan 8.380 nan 0.000 0.517 386 A N -0.450 122.488 122.820 0.197 0.000 2.594 386 A HA 0.769 5.103 4.320 0.022 0.000 0.295 386 A C -1.720 176.081 177.584 0.361 0.000 1.071 386 A CA -0.722 51.496 52.037 0.301 0.000 0.685 386 A CB 1.925 21.122 19.000 0.328 0.000 1.285 386 A HN 0.230 nan 8.150 nan 0.000 0.405 387 V N 1.293 121.479 119.914 0.453 0.000 2.888 387 V HA 0.787 4.920 4.120 0.022 0.000 0.309 387 V C -0.725 175.529 176.094 0.267 0.000 1.114 387 V CA -0.707 61.817 62.300 0.373 0.000 0.940 387 V CB 1.917 33.895 31.823 0.258 0.000 1.021 387 V HN 1.104 nan 8.190 nan 0.000 0.426 388 R N 4.829 125.334 120.500 0.009 0.000 2.445 388 R HA 0.493 4.846 4.340 0.022 0.000 0.308 388 R C -0.805 175.365 176.300 -0.217 0.000 0.961 388 R CA -0.502 55.413 56.100 -0.308 0.000 0.862 388 R CB 1.220 31.088 30.300 -0.719 0.000 1.144 388 R HN 0.812 nan 8.270 nan 0.000 0.447 389 C N 4.247 123.447 119.300 -0.167 0.000 2.896 389 C HA 0.115 4.588 4.460 0.022 0.000 0.499 389 C C 0.636 175.359 174.990 -0.444 0.000 1.022 389 C CA -0.456 58.413 59.018 -0.250 0.000 1.127 389 C CB -2.004 25.705 27.740 -0.050 0.000 1.452 389 C HN 0.691 nan 8.230 nan 0.000 0.580 390 S N 1.585 116.895 115.700 -0.649 0.000 2.430 390 S HA 0.200 4.684 4.470 0.022 0.000 0.282 390 S C -0.167 173.547 174.600 -1.475 0.000 1.186 390 S CA 0.122 57.668 58.200 -1.090 0.000 1.060 390 S CB 0.035 62.534 63.200 -1.168 0.000 0.966 390 S HN 0.732 nan 8.310 nan 0.000 0.501 391 H N 3.911 122.392 119.070 -0.981 0.000 2.439 391 H HA 0.313 4.883 4.556 0.022 0.000 0.228 391 H C -1.178 174.038 175.328 -0.186 0.000 1.423 391 H CA -0.352 55.489 56.048 -0.345 0.000 1.386 391 H CB -0.054 29.704 29.762 -0.007 0.000 1.641 391 H HN 0.891 nan 8.280 nan 0.000 0.508 392 Y N -2.747 117.668 120.300 0.191 0.000 2.765 392 Y HA 0.388 4.951 4.550 0.023 0.000 0.350 392 Y C -3.378 172.638 175.900 0.194 0.000 1.196 392 Y CA -3.074 55.145 58.100 0.199 0.000 1.119 392 Y CB -0.019 38.566 38.460 0.208 0.000 1.368 392 Y HN -0.072 nan 8.280 nan 0.000 0.463 393 P HA 0.176 nan 4.420 nan 0.000 0.268 393 P C -0.708 176.890 177.300 0.496 0.000 1.204 393 P CA 0.328 63.687 63.100 0.431 0.000 0.768 393 P CB 0.569 32.450 31.700 0.300 0.000 0.842 394 N N 0.916 119.923 118.700 0.513 0.000 2.413 394 N HA 0.093 4.846 4.740 0.022 0.000 0.266 394 N C 0.000 175.758 175.510 0.414 0.000 1.238 394 N CA -0.342 52.918 53.050 0.350 0.000 0.972 394 N CB 0.035 38.513 38.487 -0.016 0.000 1.210 394 N HN 0.482 nan 8.380 nan 0.000 0.547 395 H N 2.223 121.404 119.070 0.185 0.000 3.064 395 H HA -0.022 4.548 4.556 0.022 0.000 0.329 395 H C -1.526 173.973 175.328 0.286 0.000 1.020 395 H CA -0.789 55.352 56.048 0.156 0.000 1.402 395 H CB 0.765 30.585 29.762 0.097 0.000 1.379 395 H HN 0.438 nan 8.280 nan 0.000 0.594 396 P HA -0.221 nan 4.420 nan 0.000 0.217 396 P C 1.812 179.433 177.300 0.536 0.000 1.148 396 P CA 0.803 64.163 63.100 0.433 0.000 0.828 396 P CB 0.252 32.051 31.700 0.166 0.000 0.783 397 L N -0.824 120.797 121.223 0.663 0.000 2.191 397 L HA -0.056 4.298 4.340 0.022 0.000 0.212 397 L C 2.465 179.485 176.870 0.250 0.000 1.103 397 L CA 1.395 56.452 54.840 0.361 0.000 0.769 397 L CB -1.526 40.649 42.059 0.193 0.000 0.908 397 L HN 0.025 nan 8.230 nan 0.000 0.438 398 W N -0.440 120.881 121.300 0.035 0.000 2.321 398 W HA -0.342 4.330 4.660 0.021 0.000 0.306 398 W C 2.062 178.425 176.519 -0.259 0.000 1.217 398 W CA 2.017 59.257 57.345 -0.175 0.000 1.257 398 W CB -0.392 28.870 29.460 -0.330 0.000 1.145 398 W HN 0.277 nan 8.180 nan 0.000 0.509 399 Y N 0.754 120.982 120.300 -0.121 0.000 2.242 399 Y HA -0.196 4.368 4.550 0.022 0.000 0.291 399 Y C 2.848 178.515 175.900 -0.388 0.000 1.137 399 Y CA 2.128 59.959 58.100 -0.449 0.000 1.181 399 Y CB -1.200 36.727 38.460 -0.887 0.000 0.989 399 Y HN -0.217 nan 8.280 nan 0.000 0.527 400 T N 0.667 115.202 114.554 -0.031 0.000 2.746 400 T HA -0.163 4.201 4.350 0.022 0.000 0.267 400 T C 1.993 176.714 174.700 0.035 0.000 1.039 400 T CA 1.407 63.566 62.100 0.098 0.000 1.142 400 T CB -0.539 68.436 68.868 0.177 0.000 0.866 400 T HN 0.244 nan 8.240 nan 0.000 0.444 401 L N 0.314 121.518 121.223 -0.030 0.000 2.093 401 L HA -0.082 4.271 4.340 0.022 0.000 0.208 401 L C 2.836 179.678 176.870 -0.046 0.000 1.085 401 L CA 0.861 55.708 54.840 0.012 0.000 0.755 401 L CB -0.688 41.358 42.059 -0.023 0.000 0.904 401 L HN 0.375 nan 8.230 nan 0.000 0.435 402 C N -0.284 118.832 119.300 -0.307 0.000 2.435 402 C HA -0.118 4.356 4.460 0.022 0.000 0.279 402 C C 2.399 177.434 174.990 0.075 0.000 1.321 402 C CA 0.280 59.152 59.018 -0.245 0.000 1.752 402 C CB -0.738 26.733 27.740 -0.447 0.000 1.959 402 C HN 0.535 nan 8.230 nan 0.000 0.500 403 D N 0.663 121.114 120.400 0.086 0.000 2.097 403 D HA -0.098 4.555 4.640 0.022 0.000 0.195 403 D C 2.386 178.896 176.300 0.350 0.000 0.989 403 D CA 1.232 55.364 54.000 0.219 0.000 0.827 403 D CB -0.349 40.528 40.800 0.128 0.000 0.966 403 D HN 0.522 nan 8.370 nan 0.000 0.456 404 R N -0.890 119.702 120.500 0.154 0.000 2.093 404 R HA -0.021 4.333 4.340 0.022 0.000 0.224 404 R C 2.174 178.443 176.300 -0.052 0.000 1.101 404 R CA 0.617 56.740 56.100 0.039 0.000 0.979 404 R CB -0.183 30.059 30.300 -0.096 0.000 0.877 404 R HN 0.251 nan 8.270 nan 0.000 0.441 405 Y N -0.028 120.285 120.300 0.021 0.000 2.420 405 Y HA 0.172 4.735 4.550 0.022 0.000 0.292 405 Y C 1.056 176.888 175.900 -0.113 0.000 1.119 405 Y CA 0.974 59.058 58.100 -0.027 0.000 1.229 405 Y CB 0.425 38.841 38.460 -0.074 0.000 1.026 405 Y HN 0.247 nan 8.280 nan 0.000 0.554 406 G N 0.986 109.813 108.800 0.045 0.000 2.830 406 G HA2 -0.129 3.844 3.960 0.022 0.000 0.298 406 G HA3 -0.129 3.844 3.960 0.022 0.000 0.298 406 G C -1.152 173.578 174.900 -0.284 0.000 1.031 406 G CA -0.462 44.527 45.100 -0.185 0.000 1.179 406 G HN 0.170 nan 8.290 nan 0.000 0.527 407 L N 1.192 122.318 121.223 -0.162 0.000 2.482 407 L HA 0.490 4.843 4.340 0.022 0.000 0.263 407 L C -0.453 176.402 176.870 -0.025 0.000 0.957 407 L CA -1.369 53.343 54.840 -0.215 0.000 0.836 407 L CB 1.881 43.841 42.059 -0.164 0.000 1.324 407 L HN 0.358 nan 8.230 nan 0.000 0.406 408 Y N 1.922 122.345 120.300 0.205 0.000 2.335 408 Y HA 0.418 4.982 4.550 0.025 0.000 0.331 408 Y C 0.258 176.291 175.900 0.221 0.000 1.094 408 Y CA -0.585 57.672 58.100 0.262 0.000 1.253 408 Y CB 1.060 39.655 38.460 0.225 0.000 1.203 408 Y HN 0.100 nan 8.280 nan 0.000 0.508 409 V N 3.963 124.072 119.914 0.327 0.000 2.604 409 V HA 0.431 4.564 4.120 0.022 0.000 0.305 409 V C -0.632 175.553 176.094 0.152 0.000 1.043 409 V CA -1.080 61.355 62.300 0.224 0.000 0.888 409 V CB 2.053 33.974 31.823 0.164 0.000 0.995 409 V HN 0.455 nan 8.190 nan 0.000 0.429 410 V N 3.097 123.069 119.914 0.096 0.000 2.311 410 V HA 0.330 4.463 4.120 0.022 0.000 0.275 410 V C -0.346 175.792 176.094 0.073 0.000 1.022 410 V CA -0.389 61.918 62.300 0.011 0.000 0.830 410 V CB 1.418 33.136 31.823 -0.175 0.000 1.012 410 V HN 0.885 nan 8.190 nan 0.000 0.452 411 D N 4.154 124.635 120.400 0.136 0.000 2.295 411 D HA 0.273 4.926 4.640 0.022 0.000 0.248 411 D C -0.180 176.313 176.300 0.322 0.000 1.154 411 D CA -0.014 54.164 54.000 0.296 0.000 0.857 411 D CB 1.237 42.254 40.800 0.362 0.000 1.117 411 D HN 0.678 nan 8.370 nan 0.000 0.468 412 E N 1.946 122.301 120.200 0.258 0.000 2.187 412 E HA 0.605 4.968 4.350 0.022 0.000 0.268 412 E C -0.955 175.789 176.600 0.241 0.000 0.896 412 E CA -1.058 55.481 56.400 0.231 0.000 0.766 412 E CB 1.297 31.087 29.700 0.150 0.000 1.142 412 E HN 0.475 nan 8.360 nan 0.000 0.408 413 A N 3.928 126.883 122.820 0.224 0.000 2.483 413 A HA 0.036 4.369 4.320 0.022 0.000 0.238 413 A C 0.344 178.057 177.584 0.216 0.000 1.070 413 A CA -0.205 51.943 52.037 0.185 0.000 0.770 413 A CB 0.128 19.200 19.000 0.121 0.000 1.008 413 A HN 0.707 nan 8.150 nan 0.000 0.497 414 N N 1.362 120.198 118.700 0.225 0.000 2.971 414 N HA 0.239 4.993 4.740 0.022 0.000 0.294 414 N C -1.011 174.630 175.510 0.220 0.000 1.210 414 N CA 0.246 53.462 53.050 0.277 0.000 1.157 414 N CB -0.831 37.820 38.487 0.273 0.000 1.450 414 N HN 0.479 nan 8.380 nan 0.000 0.527 415 I N 1.089 121.783 120.570 0.207 0.000 2.503 415 I HA 0.252 4.435 4.170 0.022 0.000 0.282 415 I C -0.654 175.566 176.117 0.171 0.000 1.059 415 I CA -0.617 60.785 61.300 0.170 0.000 1.081 415 I CB 1.653 39.723 38.000 0.118 0.000 1.210 415 I HN 0.251 nan 8.210 nan 0.000 0.450 416 E N 4.287 124.585 120.200 0.164 0.000 2.287 416 E HA 0.381 4.744 4.350 0.022 0.000 0.274 416 E C -0.554 176.119 176.600 0.121 0.000 0.896 416 E CA -0.510 55.959 56.400 0.116 0.000 0.788 416 E CB 1.607 31.361 29.700 0.090 0.000 1.244 416 E HN 0.560 nan 8.360 nan 0.000 0.408 417 T N 0.633 115.245 114.554 0.098 0.000 3.415 417 T HA 0.163 4.527 4.350 0.022 0.000 0.282 417 T C 0.898 175.644 174.700 0.076 0.000 1.007 417 T CA -0.303 61.882 62.100 0.142 0.000 0.958 417 T CB -0.322 68.606 68.868 0.101 0.000 1.171 417 T HN 0.676 nan 8.240 nan 0.000 0.500 418 H N 1.216 120.199 119.070 -0.146 0.000 2.394 418 H HA -0.090 4.480 4.556 0.023 0.000 0.297 418 H C 2.327 177.515 175.328 -0.233 0.000 1.113 418 H CA 1.312 57.241 56.048 -0.199 0.000 1.277 418 H CB -0.201 29.413 29.762 -0.247 0.000 1.370 418 H HN 0.585 nan 8.280 nan 0.000 0.506 419 G N 0.205 108.811 108.800 -0.322 0.000 2.679 419 G HA2 -0.075 3.899 3.960 0.022 0.000 0.212 419 G HA3 -0.075 3.899 3.960 0.022 0.000 0.212 419 G C 0.497 175.483 174.900 0.143 0.000 1.137 419 G CA -0.080 44.858 45.100 -0.270 0.000 0.787 419 G HN 0.149 nan 8.290 nan 0.000 0.534 420 M N 0.374 120.106 119.600 0.220 0.000 2.226 420 M HA 0.330 4.823 4.480 0.022 0.000 0.324 420 M C -0.430 175.900 176.300 0.051 0.000 1.112 420 M CA -0.334 55.057 55.300 0.152 0.000 1.176 420 M CB 1.426 34.074 32.600 0.079 0.000 1.430 420 M HN -0.207 nan 8.290 nan 0.000 0.462 421 V N 4.233 124.158 119.914 0.019 0.000 2.419 421 V HA 0.347 4.480 4.120 0.022 0.000 0.287 421 V C -1.907 174.178 176.094 -0.015 0.000 1.017 421 V CA -1.260 61.037 62.300 -0.004 0.000 0.844 421 V CB 1.648 33.465 31.823 -0.010 0.000 1.011 421 V HN 0.741 nan 8.190 nan 0.000 0.429 422 P HA 0.236 nan 4.420 nan 0.000 0.275 422 P C 0.977 178.276 177.300 -0.002 0.000 1.266 422 P CA -0.530 62.564 63.100 -0.011 0.000 0.793 422 P CB 1.189 32.885 31.700 -0.008 0.000 1.074 423 M N 0.643 120.246 119.600 0.006 0.000 2.346 423 M HA -0.163 4.330 4.480 0.022 0.000 0.263 423 M C 1.213 177.528 176.300 0.026 0.000 1.064 423 M CA 1.725 57.037 55.300 0.021 0.000 1.083 423 M CB -0.447 32.158 32.600 0.008 0.000 1.399 423 M HN 0.367 nan 8.290 nan 0.000 0.435 424 N N -0.186 118.529 118.700 0.024 0.000 2.276 424 N HA -0.057 4.696 4.740 0.022 0.000 0.212 424 N C 1.114 176.601 175.510 -0.039 0.000 1.127 424 N CA 0.085 53.148 53.050 0.022 0.000 0.834 424 N CB -0.664 37.855 38.487 0.054 0.000 1.014 424 N HN 0.358 nan 8.380 nan 0.000 0.491 425 R N 0.349 120.812 120.500 -0.062 0.000 2.105 425 R HA 0.012 4.365 4.340 0.022 0.000 0.239 425 R C 1.387 177.579 176.300 -0.179 0.000 1.135 425 R CA 1.305 57.344 56.100 -0.100 0.000 0.967 425 R CB 0.004 30.242 30.300 -0.103 0.000 0.861 425 R HN 0.285 nan 8.270 nan 0.000 0.442 426 L N -0.766 120.290 121.223 -0.278 0.000 2.253 426 L HA 0.011 4.365 4.340 0.022 0.000 0.205 426 L C 2.346 179.060 176.870 -0.261 0.000 1.078 426 L CA 1.198 55.744 54.840 -0.490 0.000 0.805 426 L CB -0.344 41.185 42.059 -0.884 0.000 0.963 426 L HN 0.329 nan 8.230 nan 0.000 0.459 427 T N -4.467 109.973 114.554 -0.189 0.000 3.072 427 T HA -0.141 4.222 4.350 0.022 0.000 0.266 427 T C 1.182 175.783 174.700 -0.164 0.000 1.127 427 T CA 1.094 63.070 62.100 -0.207 0.000 1.107 427 T CB -0.159 68.545 68.868 -0.272 0.000 0.910 427 T HN 0.119 nan 8.240 nan 0.000 0.513 428 D N 0.812 121.152 120.400 -0.101 0.000 2.369 428 D HA 0.097 4.750 4.640 0.022 0.000 0.211 428 D C -0.231 176.048 176.300 -0.036 0.000 1.077 428 D CA -0.245 53.711 54.000 -0.073 0.000 0.842 428 D CB 0.020 40.788 40.800 -0.053 0.000 0.947 428 D HN 0.258 nan 8.370 nan 0.000 0.509 429 D N 0.221 120.614 120.400 -0.013 0.000 2.313 429 D HA 0.096 4.749 4.640 0.022 0.000 0.239 429 D C -1.533 174.818 176.300 0.085 0.000 1.142 429 D CA -2.135 51.898 54.000 0.055 0.000 0.847 429 D CB 1.943 42.817 40.800 0.123 0.000 1.082 429 D HN 0.024 nan 8.370 nan 0.000 0.480 430 P HA -0.133 nan 4.420 nan 0.000 0.221 430 P C 0.868 178.172 177.300 0.008 0.000 1.145 430 P CA 0.672 63.781 63.100 0.015 0.000 0.795 430 P CB 0.369 32.068 31.700 -0.002 0.000 0.775 431 R N -1.778 118.737 120.500 0.024 0.000 2.280 431 R HA -0.047 4.307 4.340 0.022 0.000 0.207 431 R C 1.361 177.536 176.300 -0.208 0.000 1.043 431 R CA 0.981 57.028 56.100 -0.088 0.000 1.006 431 R CB -0.447 29.792 30.300 -0.102 0.000 0.885 431 R HN 0.339 nan 8.270 nan 0.000 0.467 432 W N -0.274 120.970 121.300 -0.093 0.000 3.127 432 W HA 0.152 4.825 4.660 0.021 0.000 0.344 432 W C 1.411 177.869 176.519 -0.102 0.000 1.151 432 W CA -0.571 56.718 57.345 -0.094 0.000 1.765 432 W CB 0.113 29.515 29.460 -0.097 0.000 1.085 432 W HN -0.017 nan 8.180 nan 0.000 0.596 433 L N 2.174 123.424 121.223 0.044 0.000 2.046 433 L HA -0.004 4.350 4.340 0.022 0.000 0.208 433 L C -0.717 176.116 176.870 -0.062 0.000 1.077 433 L CA 2.219 57.045 54.840 -0.023 0.000 0.747 433 L CB -1.642 40.393 42.059 -0.041 0.000 0.896 433 L HN -0.231 nan 8.230 nan 0.000 0.432 434 P HA -0.144 nan 4.420 nan 0.000 0.214 434 P C 1.637 178.881 177.300 -0.095 0.000 1.163 434 P CA 2.158 65.194 63.100 -0.106 0.000 0.883 434 P CB -0.203 31.424 31.700 -0.121 0.000 0.788 435 A N -1.075 121.701 122.820 -0.075 0.000 1.902 435 A HA -0.211 4.123 4.320 0.022 0.000 0.217 435 A C 2.225 179.818 177.584 0.014 0.000 1.181 435 A CA 2.010 54.035 52.037 -0.020 0.000 0.623 435 A CB -1.497 17.512 19.000 0.016 0.000 0.818 435 A HN 0.107 nan 8.150 nan 0.000 0.443 436 M N 0.230 119.847 119.600 0.027 0.000 2.132 436 M HA -0.145 4.348 4.480 0.022 0.000 0.263 436 M C 2.554 178.799 176.300 -0.093 0.000 1.065 436 M CA 1.743 57.037 55.300 -0.011 0.000 1.122 436 M CB -0.378 32.195 32.600 -0.044 0.000 1.365 436 M HN 0.666 nan 8.290 nan 0.000 0.411 437 S N 0.207 115.822 115.700 -0.142 0.000 2.370 437 S HA -0.191 4.292 4.470 0.022 0.000 0.226 437 S C 1.659 176.085 174.600 -0.289 0.000 1.033 437 S CA 1.498 59.546 58.200 -0.254 0.000 1.011 437 S CB -0.603 62.428 63.200 -0.281 0.000 0.852 437 S HN 0.511 nan 8.310 nan 0.000 0.457 438 E N 0.890 120.972 120.200 -0.198 0.000 2.153 438 E HA -0.064 4.299 4.350 0.022 0.000 0.194 438 E C 2.403 178.917 176.600 -0.144 0.000 0.988 438 E CA 0.813 57.106 56.400 -0.178 0.000 0.811 438 E CB -0.069 29.563 29.700 -0.114 0.000 0.746 438 E HN 0.559 nan 8.360 nan 0.000 0.466 439 R N -0.287 120.157 120.500 -0.093 0.000 2.148 439 R HA -0.044 4.310 4.340 0.022 0.000 0.223 439 R C 2.148 178.408 176.300 -0.066 0.000 1.088 439 R CA 0.533 56.611 56.100 -0.038 0.000 0.985 439 R CB 0.195 30.512 30.300 0.027 0.000 0.880 439 R HN 0.025 nan 8.270 nan 0.000 0.451 440 V N 0.041 119.869 119.914 -0.142 0.000 2.374 440 V HA -0.163 3.970 4.120 0.022 0.000 0.241 440 V C 2.440 178.360 176.094 -0.290 0.000 1.034 440 V CA 2.069 64.266 62.300 -0.171 0.000 1.037 440 V CB -0.193 31.526 31.823 -0.174 0.000 0.682 440 V HN 0.492 nan 8.190 nan 0.000 0.463 441 T N -0.679 113.574 114.554 -0.503 0.000 2.788 441 T HA -0.242 4.121 4.350 0.022 0.000 0.268 441 T C 1.920 176.454 174.700 -0.276 0.000 1.044 441 T CA 1.442 63.149 62.100 -0.654 0.000 1.139 441 T CB -0.388 67.910 68.868 -0.949 0.000 0.867 441 T HN 0.396 nan 8.240 nan 0.000 0.454 442 R N 0.126 120.492 120.500 -0.223 0.000 2.189 442 R HA 0.277 4.630 4.340 0.022 0.000 0.218 442 R C 2.596 178.816 176.300 -0.134 0.000 1.074 442 R CA 1.096 57.101 56.100 -0.159 0.000 0.991 442 R CB -0.381 29.835 30.300 -0.141 0.000 0.883 442 R HN 0.494 nan 8.270 nan 0.000 0.457 443 M N 0.465 119.994 119.600 -0.119 0.000 2.156 443 M HA -0.108 4.386 4.480 0.022 0.000 0.264 443 M C 1.738 177.965 176.300 -0.122 0.000 1.067 443 M CA 1.554 56.816 55.300 -0.063 0.000 1.131 443 M CB 0.182 32.787 32.600 0.008 0.000 1.368 443 M HN -0.039 nan 8.290 nan 0.000 0.416 444 V N 1.143 120.878 119.914 -0.299 0.000 2.343 444 V HA -0.277 3.856 4.120 0.022 0.000 0.247 444 V C 2.249 178.230 176.094 -0.188 0.000 1.051 444 V CA 1.964 63.969 62.300 -0.491 0.000 1.036 444 V CB -0.946 30.573 31.823 -0.507 0.000 0.654 444 V HN 0.586 nan 8.190 nan 0.000 0.451 445 Q N -0.682 119.039 119.800 -0.132 0.000 2.226 445 Q HA -0.202 4.151 4.340 0.022 0.000 0.204 445 Q C 2.445 178.345 176.000 -0.167 0.000 0.975 445 Q CA 1.364 57.090 55.803 -0.129 0.000 0.866 445 Q CB -0.139 28.545 28.738 -0.090 0.000 0.915 445 Q HN 0.531 nan 8.270 nan 0.000 0.440 446 R N 0.328 120.733 120.500 -0.158 0.000 2.090 446 R HA -0.072 4.282 4.340 0.022 0.000 0.219 446 R C 0.511 176.736 176.300 -0.124 0.000 1.100 446 R CA 1.195 57.186 56.100 -0.182 0.000 0.991 446 R CB 0.461 30.657 30.300 -0.173 0.000 0.893 446 R HN 0.160 nan 8.270 nan 0.000 0.443 447 D N 0.084 120.471 120.400 -0.022 0.000 2.369 447 D HA -0.009 4.644 4.640 0.022 0.000 0.211 447 D C 1.332 177.728 176.300 0.161 0.000 1.077 447 D CA 0.096 54.129 54.000 0.056 0.000 0.842 447 D CB 0.235 40.992 40.800 -0.071 0.000 0.947 447 D HN 0.373 nan 8.370 nan 0.000 0.509 448 R N 0.734 121.338 120.500 0.173 0.000 2.241 448 R HA -0.007 4.346 4.340 0.022 0.000 0.224 448 R C 0.814 177.102 176.300 -0.020 0.000 1.101 448 R CA 0.889 57.099 56.100 0.183 0.000 0.995 448 R CB -0.301 30.036 30.300 0.063 0.000 0.870 448 R HN -0.066 nan 8.270 nan 0.000 0.463 449 N N 0.318 118.930 118.700 -0.146 0.000 2.336 449 N HA -0.003 4.750 4.740 0.022 0.000 0.189 449 N C -0.496 174.877 175.510 -0.229 0.000 1.113 449 N CA 0.246 53.184 53.050 -0.186 0.000 0.858 449 N CB 0.118 38.478 38.487 -0.211 0.000 0.970 449 N HN 0.295 nan 8.380 nan 0.000 0.471 450 H N 1.554 120.564 119.070 -0.100 0.000 2.800 450 H HA 0.106 4.675 4.556 0.022 0.000 0.291 450 H C -1.173 174.012 175.328 -0.238 0.000 1.076 450 H CA -1.294 54.680 56.048 -0.124 0.000 1.452 450 H CB 1.505 31.232 29.762 -0.059 0.000 1.461 450 H HN 0.072 nan 8.280 nan 0.000 0.488 451 P HA -0.146 nan 4.420 nan 0.000 0.220 451 P C 1.373 178.207 177.300 -0.776 0.000 1.148 451 P CA 0.992 63.738 63.100 -0.591 0.000 0.803 451 P CB 0.346 31.493 31.700 -0.921 0.000 0.782 452 S N -0.601 114.767 115.700 -0.554 0.000 2.423 452 S HA -0.039 4.444 4.470 0.022 0.000 0.231 452 S C 1.139 175.737 174.600 -0.003 0.000 1.014 452 S CA 0.360 58.434 58.200 -0.208 0.000 0.965 452 S CB -1.490 61.716 63.200 0.010 0.000 0.785 452 S HN -0.054 nan 8.310 nan 0.000 0.495 453 V N 3.778 123.653 119.914 -0.065 0.000 2.415 453 V HA 0.236 4.370 4.120 0.022 0.000 0.267 453 V C 1.053 177.017 176.094 -0.216 0.000 1.042 453 V CA 0.013 62.237 62.300 -0.128 0.000 1.000 453 V CB 0.268 31.919 31.823 -0.286 0.000 1.015 453 V HN 0.641 nan 8.190 nan 0.000 0.478 454 I N 2.496 122.995 120.570 -0.118 0.000 4.181 454 I HA 0.521 4.704 4.170 0.022 0.000 0.331 454 I C 0.318 176.335 176.117 -0.166 0.000 1.312 454 I CA 0.443 61.682 61.300 -0.103 0.000 1.146 454 I CB 0.473 38.497 38.000 0.040 0.000 1.074 454 I HN 0.320 nan 8.210 nan 0.000 0.402 455 I N 0.238 120.681 120.570 -0.213 0.000 2.692 455 I HA 0.355 4.538 4.170 0.022 0.000 0.293 455 I C -1.593 174.430 176.117 -0.156 0.000 1.200 455 I CA -0.387 60.828 61.300 -0.142 0.000 1.036 455 I CB 2.089 40.097 38.000 0.012 0.000 1.258 455 I HN 0.024 nan 8.210 nan 0.000 0.421 456 W N 3.918 125.271 121.300 0.088 0.000 2.496 456 W HA 0.624 5.295 4.660 0.019 0.000 0.327 456 W C 0.375 176.962 176.519 0.115 0.000 1.086 456 W CA -0.659 56.744 57.345 0.096 0.000 1.222 456 W CB 1.751 31.262 29.460 0.086 0.000 1.304 456 W HN 0.300 nan 8.180 nan 0.000 0.547 457 S N 2.775 118.712 115.700 0.395 0.000 2.500 457 S HA 0.394 4.877 4.470 0.022 0.000 0.301 457 S C 0.303 175.076 174.600 0.289 0.000 1.092 457 S CA -0.693 57.686 58.200 0.298 0.000 1.030 457 S CB 0.811 64.139 63.200 0.214 0.000 1.031 457 S HN 0.584 nan 8.310 nan 0.000 0.483 458 L N 4.160 125.552 121.223 0.281 0.000 2.610 458 L HA 0.326 4.680 4.340 0.022 0.000 0.232 458 L C 1.393 178.351 176.870 0.146 0.000 1.149 458 L CA 0.559 55.493 54.840 0.156 0.000 0.872 458 L CB -1.005 41.063 42.059 0.015 0.000 0.992 458 L HN 0.980 nan 8.230 nan 0.000 0.447 459 G N -0.143 108.823 108.800 0.278 0.000 2.250 459 G HA2 -0.118 3.856 3.960 0.022 0.000 0.252 459 G HA3 -0.118 3.856 3.960 0.022 0.000 0.252 459 G C -1.688 173.405 174.900 0.323 0.000 1.325 459 G CA -0.569 44.695 45.100 0.272 0.000 1.091 459 G HN 0.150 nan 8.290 nan 0.000 0.476 460 N N 0.171 118.995 118.700 0.207 0.000 2.308 460 N HA 0.476 5.229 4.740 0.022 0.000 0.283 460 N C -0.488 174.963 175.510 -0.097 0.000 1.105 460 N CA 0.044 53.058 53.050 -0.059 0.000 0.840 460 N CB 1.630 39.794 38.487 -0.537 0.000 1.633 460 N HN 0.861 nan 8.380 nan 0.000 0.476 461 E N 0.697 120.743 120.200 -0.257 0.000 2.131 461 E HA -0.186 4.177 4.350 0.022 0.000 0.166 461 E C -0.793 175.722 176.600 -0.141 0.000 1.514 461 E CA 0.724 56.907 56.400 -0.363 0.000 0.646 461 E CB -1.241 27.990 29.700 -0.782 0.000 1.051 461 E HN 0.409 nan 8.360 nan 0.000 0.315 462 S N 0.179 115.937 115.700 0.097 0.000 2.941 462 S HA 0.389 4.873 4.470 0.022 0.000 0.251 462 S C 0.689 175.443 174.600 0.256 0.000 1.029 462 S CA -0.144 58.172 58.200 0.193 0.000 1.062 462 S CB 1.344 64.724 63.200 0.301 0.000 0.977 462 S HN 0.859 nan 8.310 nan 0.000 0.552 463 G N 1.995 110.880 108.800 0.141 0.000 2.578 463 G HA2 -0.265 3.708 3.960 0.022 0.000 0.275 463 G HA3 -0.265 3.708 3.960 0.022 0.000 0.275 463 G C -0.498 174.585 174.900 0.305 0.000 1.271 463 G CA 0.011 45.197 45.100 0.143 0.000 0.941 463 G HN 0.619 nan 8.290 nan 0.000 0.564 464 H N 0.602 119.782 119.070 0.183 0.000 2.924 464 H HA 0.570 5.139 4.556 0.022 0.000 0.333 464 H C 0.253 175.730 175.328 0.249 0.000 0.979 464 H CA 0.169 56.362 56.048 0.241 0.000 1.326 464 H CB 0.756 30.599 29.762 0.135 0.000 1.600 464 H HN 1.130 nan 8.280 nan 0.000 0.520 465 G N 1.371 110.128 108.800 -0.072 0.000 2.685 465 G HA2 0.466 4.440 3.960 0.022 0.000 0.298 465 G HA3 0.466 4.440 3.960 0.022 0.000 0.298 465 G C 0.578 175.288 174.900 -0.317 0.000 1.277 465 G CA -0.149 44.825 45.100 -0.211 0.000 0.986 465 G HN 0.637 nan 8.290 nan 0.000 0.487 466 A N 0.097 122.804 122.820 -0.188 0.000 2.024 466 A HA -0.093 4.241 4.320 0.022 0.000 0.220 466 A C 2.096 179.629 177.584 -0.085 0.000 1.164 466 A CA 1.929 53.901 52.037 -0.109 0.000 0.643 466 A CB -0.441 18.529 19.000 -0.051 0.000 0.806 466 A HN 0.519 nan 8.150 nan 0.000 0.451 467 N N -0.390 118.225 118.700 -0.141 0.000 2.223 467 N HA -0.122 4.631 4.740 0.022 0.000 0.185 467 N C 1.368 176.782 175.510 -0.159 0.000 1.016 467 N CA 1.596 54.553 53.050 -0.156 0.000 0.863 467 N CB -0.619 37.741 38.487 -0.212 0.000 0.983 467 N HN 0.783 nan 8.380 nan 0.000 0.429 468 H N 0.235 119.236 119.070 -0.115 0.000 2.357 468 H HA -0.005 4.564 4.556 0.021 0.000 0.301 468 H C 1.233 176.595 175.328 0.057 0.000 1.082 468 H CA 1.233 57.224 56.048 -0.096 0.000 1.342 468 H CB 0.174 29.849 29.762 -0.146 0.000 1.389 468 H HN 0.181 nan 8.280 nan 0.000 0.511 469 D N 0.338 120.854 120.400 0.192 0.000 2.144 469 D HA -0.126 4.528 4.640 0.022 0.000 0.199 469 D C 2.270 178.710 176.300 0.233 0.000 0.984 469 D CA 1.139 55.273 54.000 0.224 0.000 0.834 469 D CB -0.294 40.605 40.800 0.165 0.000 0.955 469 D HN 0.428 nan 8.370 nan 0.000 0.465 470 A N 0.846 123.749 122.820 0.140 0.000 1.877 470 A HA -0.101 4.233 4.320 0.022 0.000 0.216 470 A C 2.397 180.078 177.584 0.162 0.000 1.186 470 A CA 0.867 52.980 52.037 0.125 0.000 0.620 470 A CB -0.702 18.331 19.000 0.054 0.000 0.822 470 A HN 0.191 nan 8.150 nan 0.000 0.443 471 L N -2.015 119.287 121.223 0.131 0.000 2.217 471 L HA -0.110 4.243 4.340 0.022 0.000 0.211 471 L C 2.542 179.547 176.870 0.225 0.000 1.107 471 L CA 1.297 56.220 54.840 0.140 0.000 0.783 471 L CB -0.630 41.442 42.059 0.022 0.000 0.919 471 L HN 0.625 nan 8.230 nan 0.000 0.442 472 Y N 1.406 121.786 120.300 0.134 0.000 2.114 472 Y HA -0.318 4.240 4.550 0.015 0.000 0.284 472 Y C 2.825 178.803 175.900 0.132 0.000 1.143 472 Y CA 1.777 59.960 58.100 0.139 0.000 1.135 472 Y CB -0.172 38.373 38.460 0.143 0.000 0.980 472 Y HN -0.048 nan 8.280 nan 0.000 0.499 473 R N -0.153 120.432 120.500 0.141 0.000 2.096 473 R HA -0.205 4.148 4.340 0.022 0.000 0.235 473 R C 2.043 178.331 176.300 -0.020 0.000 1.127 473 R CA 1.899 58.009 56.100 0.016 0.000 0.968 473 R CB -1.393 29.002 30.300 0.159 0.000 0.861 473 R HN 0.660 nan 8.270 nan 0.000 0.440 474 W N 0.436 121.687 121.300 -0.082 0.000 2.338 474 W HA -0.139 4.536 4.660 0.024 0.000 0.304 474 W C 1.562 177.988 176.519 -0.156 0.000 1.212 474 W CA 1.902 59.188 57.345 -0.099 0.000 1.264 474 W CB -0.219 29.187 29.460 -0.090 0.000 1.142 474 W HN 0.082 nan 8.180 nan 0.000 0.512 475 I N 0.781 121.314 120.570 -0.062 0.000 2.142 475 I HA -0.342 3.841 4.170 0.022 0.000 0.240 475 I C 2.472 178.372 176.117 -0.362 0.000 1.078 475 I CA 1.374 62.495 61.300 -0.299 0.000 1.343 475 I CB -0.764 37.142 38.000 -0.156 0.000 1.046 475 I HN -0.143 nan 8.210 nan 0.000 0.405 476 K N 0.418 120.617 120.400 -0.334 0.000 2.160 476 K HA -0.189 4.144 4.320 0.022 0.000 0.206 476 K C 2.263 178.719 176.600 -0.240 0.000 1.047 476 K CA 1.589 57.709 56.287 -0.278 0.000 0.930 476 K CB -0.596 31.692 32.500 -0.354 0.000 0.720 476 K HN 0.276 nan 8.250 nan 0.000 0.450 477 S N 0.933 116.452 115.700 -0.301 0.000 2.357 477 S HA -0.091 4.392 4.470 0.022 0.000 0.221 477 S C 2.058 176.442 174.600 -0.360 0.000 1.031 477 S CA 1.302 59.330 58.200 -0.287 0.000 0.982 477 S CB -0.140 62.892 63.200 -0.280 0.000 0.853 477 S HN 0.179 nan 8.310 nan 0.000 0.458 478 V N -0.758 118.794 119.914 -0.602 0.000 2.788 478 V HA 0.266 4.399 4.120 0.022 0.000 0.251 478 V C 0.370 176.242 176.094 -0.370 0.000 1.068 478 V CA 1.412 63.358 62.300 -0.589 0.000 1.090 478 V CB -0.467 30.724 31.823 -1.053 0.000 0.710 478 V HN 0.476 nan 8.190 nan 0.000 0.467 479 D N 0.960 121.180 120.400 -0.300 0.000 2.364 479 D HA 0.342 4.996 4.640 0.022 0.000 0.251 479 D C -1.989 174.296 176.300 -0.025 0.000 1.282 479 D CA -1.654 52.281 54.000 -0.107 0.000 0.927 479 D CB 1.659 42.467 40.800 0.013 0.000 1.267 479 D HN 0.211 nan 8.370 nan 0.000 0.531 480 P HA -0.030 nan 4.420 nan 0.000 0.245 480 P C 0.917 178.237 177.300 0.033 0.000 1.212 480 P CA 0.274 63.368 63.100 -0.009 0.000 0.774 480 P CB 0.213 31.900 31.700 -0.022 0.000 0.999 481 S N -0.889 114.840 115.700 0.049 0.000 2.522 481 S HA 0.059 4.542 4.470 0.022 0.000 0.227 481 S C 0.932 175.562 174.600 0.051 0.000 0.986 481 S CA -0.198 58.036 58.200 0.056 0.000 0.929 481 S CB -0.351 62.877 63.200 0.046 0.000 0.769 481 S HN 0.121 nan 8.310 nan 0.000 0.529 482 R N 1.038 121.581 120.500 0.073 0.000 2.686 482 R HA 0.560 4.913 4.340 0.022 0.000 0.283 482 R C -3.237 173.121 176.300 0.096 0.000 0.978 482 R CA -2.235 53.879 56.100 0.023 0.000 0.897 482 R CB 1.488 31.685 30.300 -0.172 0.000 1.192 482 R HN 0.144 nan 8.270 nan 0.000 0.457 483 P HA 0.128 nan 4.420 nan 0.000 0.274 483 P C -0.863 176.547 177.300 0.185 0.000 1.237 483 P CA -0.445 62.724 63.100 0.114 0.000 0.793 483 P CB 0.730 32.480 31.700 0.085 0.000 0.977 484 V N 2.040 122.095 119.914 0.234 0.000 2.555 484 V HA 0.452 4.585 4.120 0.022 0.000 0.302 484 V C 0.076 176.361 176.094 0.318 0.000 1.038 484 V CA -0.308 62.180 62.300 0.314 0.000 0.887 484 V CB 1.244 33.238 31.823 0.284 0.000 0.991 484 V HN 0.614 nan 8.190 nan 0.000 0.434 485 Q N 3.719 123.686 119.800 0.278 0.000 2.451 485 Q HA 0.807 5.161 4.340 0.022 0.000 0.281 485 Q C -1.917 174.245 176.000 0.271 0.000 1.099 485 Q CA -0.926 55.003 55.803 0.212 0.000 0.806 485 Q CB 3.008 31.815 28.738 0.115 0.000 1.419 485 Q HN 0.644 nan 8.270 nan 0.000 0.427 486 Y N 0.229 120.545 120.300 0.026 0.000 2.409 486 Y HA 0.155 4.718 4.550 0.020 0.000 0.321 486 Y C -0.538 175.310 175.900 -0.086 0.000 1.209 486 Y CA -0.735 57.351 58.100 -0.025 0.000 1.086 486 Y CB 2.062 40.504 38.460 -0.030 0.000 1.320 486 Y HN 0.947 nan 8.280 nan 0.000 0.440 487 E N 3.389 123.104 120.200 -0.808 0.000 2.250 487 E HA 0.129 4.493 4.350 0.022 0.000 0.192 487 E C 0.711 176.863 176.600 -0.748 0.000 0.986 487 E CA 0.790 56.811 56.400 -0.631 0.000 0.849 487 E CB 0.199 29.649 29.700 -0.417 0.000 0.797 487 E HN 0.897 nan 8.360 nan 0.000 0.482 488 G N -0.140 107.824 108.800 -1.393 0.000 2.562 488 G HA2 0.201 4.175 3.960 0.022 0.000 0.233 488 G HA3 0.201 4.175 3.960 0.022 0.000 0.233 488 G C 0.821 175.585 174.900 -0.227 0.000 1.266 488 G CA 0.360 45.056 45.100 -0.674 0.000 0.852 488 G HN 0.369 nan 8.290 nan 0.000 0.581 489 G N -0.559 108.206 108.800 -0.058 0.000 2.153 489 G HA2 0.224 4.198 3.960 0.022 0.000 0.252 489 G HA3 0.224 4.198 3.960 0.022 0.000 0.252 489 G C 1.287 176.184 174.900 -0.006 0.000 0.994 489 G CA 1.020 46.138 45.100 0.031 0.000 0.698 489 G HN 2.645 nan 8.290 nan 0.000 0.521 490 G N -1.583 107.208 108.800 -0.015 0.000 2.205 490 G HA2 0.436 4.409 3.960 0.022 0.000 0.180 490 G HA3 0.436 4.409 3.960 0.022 0.000 0.180 490 G C 1.059 176.073 174.900 0.190 0.000 1.004 490 G CA 1.251 46.407 45.100 0.092 0.000 0.670 490 G HN 2.330 nan 8.290 nan 0.000 0.496 491 A N -0.207 122.607 122.820 -0.011 0.000 3.721 491 A HA -0.147 4.186 4.320 0.022 0.000 0.270 491 A C 1.112 178.626 177.584 -0.116 0.000 1.036 491 A CA 2.671 54.640 52.037 -0.113 0.000 1.102 491 A CB -1.742 17.157 19.000 -0.168 0.000 1.100 491 A HN 2.110 nan 8.150 nan 0.000 0.887 492 D N -0.850 119.570 120.400 0.035 0.000 2.760 492 D HA 0.320 4.974 4.640 0.022 0.000 0.314 492 D C 0.388 176.681 176.300 -0.011 0.000 1.464 492 D CA 0.792 54.816 54.000 0.040 0.000 0.797 492 D CB -1.134 39.835 40.800 0.281 0.000 1.149 492 D HN 0.789 nan 8.370 nan 0.000 0.455 493 T N -2.511 111.969 114.554 -0.124 0.000 2.689 493 T HA 0.210 4.574 4.350 0.022 0.000 0.308 493 T C 1.578 176.146 174.700 -0.221 0.000 1.021 493 T CA 0.429 62.377 62.100 -0.254 0.000 0.973 493 T CB 0.716 69.203 68.868 -0.635 0.000 1.113 493 T HN 0.083 nan 8.240 nan 0.000 0.522 494 T N -2.719 111.692 114.554 -0.239 0.000 3.160 494 T HA 0.263 4.627 4.350 0.022 0.000 0.257 494 T C 1.488 175.953 174.700 -0.390 0.000 1.147 494 T CA 0.199 62.178 62.100 -0.202 0.000 1.064 494 T CB -0.463 68.360 68.868 -0.075 0.000 0.949 494 T HN 0.816 nan 8.240 nan 0.000 0.526 495 A N 0.429 123.060 122.820 -0.315 0.000 2.460 495 A HA 0.516 4.850 4.320 0.022 0.000 0.258 495 A C 0.809 178.251 177.584 -0.237 0.000 1.300 495 A CA -0.300 51.530 52.037 -0.345 0.000 0.913 495 A CB 0.111 19.191 19.000 0.133 0.000 1.031 495 A HN 0.423 nan 8.150 nan 0.000 0.512 496 T N -1.259 113.152 114.554 -0.238 0.000 2.952 496 T HA 0.354 4.717 4.350 0.022 0.000 0.305 496 T C -0.652 174.058 174.700 0.016 0.000 1.064 496 T CA -0.461 61.636 62.100 -0.004 0.000 1.008 496 T CB 1.197 70.064 68.868 -0.000 0.000 1.078 496 T HN 0.103 nan 8.240 nan 0.000 0.459 497 D N 2.974 123.463 120.400 0.149 0.000 2.348 497 D HA 0.238 4.891 4.640 0.022 0.000 0.211 497 D C 0.389 176.718 176.300 0.048 0.000 0.998 497 D CA 0.701 54.777 54.000 0.128 0.000 0.873 497 D CB 0.489 41.400 40.800 0.185 0.000 0.925 497 D HN 0.541 nan 8.370 nan 0.000 0.524 498 I N 1.154 121.735 120.570 0.019 0.000 2.498 498 I HA 0.248 4.431 4.170 0.022 0.000 0.290 498 I C -0.113 175.936 176.117 -0.113 0.000 1.032 498 I CA -0.857 60.420 61.300 -0.040 0.000 1.073 498 I CB 2.795 40.784 38.000 -0.019 0.000 1.251 498 I HN -0.353 nan 8.210 nan 0.000 0.426 499 I N 5.802 126.258 120.570 -0.189 0.000 2.494 499 I HA 0.032 4.215 4.170 0.022 0.000 0.289 499 I C 0.214 176.116 176.117 -0.358 0.000 1.106 499 I CA 0.026 61.112 61.300 -0.356 0.000 1.369 499 I CB 0.066 37.747 38.000 -0.533 0.000 1.410 499 I HN 0.692 nan 8.210 nan 0.000 0.523 500 C N 5.904 125.009 119.300 -0.325 0.000 3.276 500 C HA 0.464 4.937 4.460 0.022 0.000 0.226 500 C C -1.992 172.847 174.990 -0.252 0.000 1.502 500 C CA -2.275 56.599 59.018 -0.239 0.000 1.488 500 C CB -0.791 26.868 27.740 -0.134 0.000 2.014 500 C HN 0.447 nan 8.230 nan 0.000 0.492 501 P HA 0.306 nan 4.420 nan 0.000 0.272 501 P C -0.507 176.726 177.300 -0.111 0.000 1.240 501 P CA 0.274 63.260 63.100 -0.191 0.000 0.791 501 P CB 0.943 32.533 31.700 -0.184 0.000 0.978 502 M N 0.354 119.910 119.600 -0.074 0.000 2.181 502 M HA 0.426 4.919 4.480 0.022 0.000 0.323 502 M C -0.905 175.347 176.300 -0.081 0.000 1.004 502 M CA -0.658 54.490 55.300 -0.254 0.000 0.941 502 M CB 1.165 33.593 32.600 -0.288 0.000 1.579 502 M HN 0.242 nan 8.290 nan 0.000 0.427 503 Y N -0.250 120.210 120.300 0.267 0.000 4.490 503 Y HA -0.204 4.360 4.550 0.023 0.000 0.233 503 Y C 0.536 176.615 175.900 0.298 0.000 1.101 503 Y CA 0.543 58.813 58.100 0.285 0.000 2.010 503 Y CB -2.457 36.168 38.460 0.275 0.000 1.622 503 Y HN 0.987 nan 8.280 nan 0.000 0.675 504 A N 1.093 124.130 122.820 0.362 0.000 2.477 504 A HA 0.545 4.879 4.320 0.022 0.000 0.246 504 A C 0.831 178.642 177.584 0.379 0.000 1.078 504 A CA -0.393 51.867 52.037 0.371 0.000 0.770 504 A CB 0.366 19.618 19.000 0.420 0.000 1.011 504 A HN 0.390 nan 8.150 nan 0.000 0.494 505 R N 1.465 122.123 120.500 0.265 0.000 2.546 505 R HA 0.333 4.686 4.340 0.022 0.000 0.266 505 R C 1.063 177.356 176.300 -0.012 0.000 1.086 505 R CA -0.705 55.487 56.100 0.154 0.000 1.160 505 R CB 0.545 30.895 30.300 0.083 0.000 1.138 505 R HN 0.490 nan 8.270 nan 0.000 0.567 506 V N 0.660 120.402 119.914 -0.286 0.000 2.244 506 V HA -0.210 3.923 4.120 0.022 0.000 0.244 506 V C 1.019 177.004 176.094 -0.181 0.000 1.042 506 V CA 1.883 63.973 62.300 -0.350 0.000 1.006 506 V CB -0.266 31.224 31.823 -0.556 0.000 0.641 506 V HN 0.756 nan 8.190 nan 0.000 0.446 507 D N -1.530 118.792 120.400 -0.129 0.000 2.454 507 D HA 0.099 4.753 4.640 0.022 0.000 0.219 507 D C 0.912 177.199 176.300 -0.022 0.000 1.081 507 D CA 0.040 53.998 54.000 -0.069 0.000 0.867 507 D CB 0.733 41.495 40.800 -0.064 0.000 1.054 507 D HN 0.458 nan 8.370 nan 0.000 0.500 508 E N 1.955 122.146 120.200 -0.015 0.000 2.200 508 E HA 0.095 4.458 4.350 0.022 0.000 0.283 508 E C -0.805 175.801 176.600 0.009 0.000 1.015 508 E CA -0.514 55.885 56.400 -0.001 0.000 0.819 508 E CB 1.014 30.713 29.700 -0.003 0.000 1.081 508 E HN -0.123 nan 8.360 nan 0.000 0.397 509 D N 3.550 123.954 120.400 0.007 0.000 2.264 509 D HA 0.136 4.790 4.640 0.022 0.000 0.249 509 D C -0.511 175.688 176.300 -0.169 0.000 1.070 509 D CA 0.061 54.057 54.000 -0.007 0.000 0.912 509 D CB 1.235 42.104 40.800 0.115 0.000 1.193 509 D HN 0.413 nan 8.370 nan 0.000 0.427 510 Q N 1.383 120.970 119.800 -0.355 0.000 2.932 510 Q HA 0.226 4.579 4.340 0.022 0.000 0.248 510 Q C -2.205 173.212 176.000 -0.971 0.000 0.982 510 Q CA -1.507 53.889 55.803 -0.678 0.000 0.730 510 Q CB 2.220 30.569 28.738 -0.648 0.000 1.249 510 Q HN 0.178 nan 8.270 nan 0.000 0.476 511 P HA -0.039 nan 4.420 nan 0.000 0.237 511 P C -0.724 176.269 177.300 -0.511 0.000 1.701 511 P CA 0.001 62.684 63.100 -0.695 0.000 0.955 511 P CB -0.505 30.992 31.700 -0.339 0.000 1.937 512 F N 1.757 121.521 119.950 -0.310 0.000 2.518 512 F HA 0.202 4.742 4.527 0.021 0.000 0.359 512 F C -1.360 174.329 175.800 -0.186 0.000 1.118 512 F CA -2.278 55.604 58.000 -0.197 0.000 1.287 512 F CB -1.036 37.867 39.000 -0.162 0.000 1.132 512 F HN 0.071 nan 8.300 nan 0.000 0.587 513 P HA 0.200 nan 4.420 nan 0.000 0.268 513 P C 0.286 177.596 177.300 0.016 0.000 1.205 513 P CA 1.305 64.418 63.100 0.021 0.000 0.771 513 P CB 1.015 32.729 31.700 0.023 0.000 0.858 514 A N 2.679 125.503 122.820 0.007 0.000 2.617 514 A HA -0.252 4.081 4.320 0.022 0.000 0.236 514 A C 0.785 178.372 177.584 0.005 0.000 0.514 514 A CA 2.086 54.131 52.037 0.013 0.000 1.126 514 A CB -2.691 16.317 19.000 0.013 0.000 1.393 514 A HN 0.684 nan 8.150 nan 0.000 0.693 515 V N -2.749 117.161 119.914 -0.007 0.000 2.454 515 V HA 0.567 4.700 4.120 0.022 0.000 0.255 515 V C -2.097 173.975 176.094 -0.037 0.000 1.009 515 V CA -1.228 61.066 62.300 -0.011 0.000 1.149 515 V CB 0.561 32.380 31.823 -0.008 0.000 1.418 515 V HN 0.566 nan 8.190 nan 0.000 0.567 516 P HA 0.255 nan 4.420 nan 0.000 0.272 516 P C -0.676 176.213 177.300 -0.686 0.000 1.223 516 P CA 0.053 62.783 63.100 -0.617 0.000 0.784 516 P CB 1.121 32.029 31.700 -1.320 0.000 0.923 517 K N 2.283 122.350 120.400 -0.556 0.000 2.419 517 K HA 0.217 4.550 4.320 0.022 0.000 0.244 517 K C -0.457 175.901 176.600 -0.402 0.000 1.045 517 K CA -0.287 55.865 56.287 -0.224 0.000 1.004 517 K CB 0.442 33.055 32.500 0.189 0.000 1.376 517 K HN 0.468 nan 8.250 nan 0.000 0.460 518 W N 1.354 122.381 121.300 -0.455 0.000 2.126 518 W HA 0.070 4.743 4.660 0.022 0.000 0.346 518 W C 1.304 177.847 176.519 0.040 0.000 1.279 518 W CA -0.503 56.650 57.345 -0.319 0.000 1.259 518 W CB 0.489 29.571 29.460 -0.630 0.000 1.133 518 W HN 0.372 nan 8.180 nan 0.000 0.592 519 S N 3.081 118.947 115.700 0.277 0.000 2.552 519 S HA -0.062 4.422 4.470 0.022 0.000 0.289 519 S C 1.162 175.919 174.600 0.261 0.000 1.304 519 S CA -0.217 58.091 58.200 0.180 0.000 1.063 519 S CB 0.173 63.423 63.200 0.083 0.000 0.848 519 S HN 0.517 nan 8.310 nan 0.000 0.499 520 I N 2.134 122.824 120.570 0.200 0.000 2.361 520 I HA -0.143 4.041 4.170 0.022 0.000 0.251 520 I C 2.048 178.205 176.117 0.068 0.000 1.133 520 I CA 1.222 62.639 61.300 0.195 0.000 1.413 520 I CB -0.432 37.624 38.000 0.093 0.000 1.073 520 I HN 0.606 nan 8.210 nan 0.000 0.424 521 K N 1.549 121.890 120.400 -0.097 0.000 2.057 521 K HA -0.165 4.168 4.320 0.022 0.000 0.206 521 K C 2.293 178.908 176.600 0.024 0.000 1.050 521 K CA 1.689 57.842 56.287 -0.223 0.000 0.935 521 K CB -0.203 32.080 32.500 -0.363 0.000 0.715 521 K HN 0.387 nan 8.250 nan 0.000 0.439 522 K N 0.266 120.699 120.400 0.055 0.000 2.103 522 K HA -0.166 4.167 4.320 0.022 0.000 0.204 522 K C 1.926 178.564 176.600 0.063 0.000 1.052 522 K CA 0.823 57.129 56.287 0.032 0.000 0.945 522 K CB -0.072 32.418 32.500 -0.017 0.000 0.722 522 K HN 0.205 nan 8.250 nan 0.000 0.443 523 W N 2.148 123.449 121.300 0.000 0.000 2.318 523 W HA -0.220 4.452 4.660 0.019 0.000 0.313 523 W C 1.658 178.167 176.519 -0.017 0.000 1.221 523 W CA 1.266 58.621 57.345 0.016 0.000 1.266 523 W CB -0.697 28.838 29.460 0.125 0.000 1.150 523 W HN 0.107 nan 8.180 nan 0.000 0.496 524 L N 0.740 122.129 121.223 0.277 0.000 2.043 524 L HA -0.271 4.083 4.340 0.022 0.000 0.212 524 L C 2.279 179.218 176.870 0.116 0.000 1.075 524 L CA 2.134 57.071 54.840 0.160 0.000 0.752 524 L CB -1.099 41.045 42.059 0.142 0.000 0.891 524 L HN -0.006 nan 8.230 nan 0.000 0.432 525 S N -1.362 114.390 115.700 0.087 0.000 2.597 525 S HA 0.240 4.724 4.470 0.022 0.000 0.224 525 S C 0.569 175.157 174.600 -0.020 0.000 0.955 525 S CA -0.519 57.701 58.200 0.034 0.000 0.933 525 S CB -0.486 62.732 63.200 0.030 0.000 0.788 525 S HN 0.160 nan 8.310 nan 0.000 0.488 526 L N 2.126 123.326 121.223 -0.037 0.000 2.514 526 L HA 0.193 4.547 4.340 0.022 0.000 0.280 526 L C -2.189 174.642 176.870 -0.064 0.000 1.223 526 L CA -1.623 53.143 54.840 -0.124 0.000 0.864 526 L CB -0.290 41.664 42.059 -0.175 0.000 1.118 526 L HN 0.035 nan 8.230 nan 0.000 0.494 527 P HA -0.077 nan 4.420 nan 0.000 0.257 527 P C 0.756 178.044 177.300 -0.021 0.000 1.162 527 P CA 1.289 64.360 63.100 -0.049 0.000 0.762 527 P CB 0.420 32.084 31.700 -0.060 0.000 0.753 528 G N 1.924 110.720 108.800 -0.007 0.000 2.234 528 G HA2 -0.284 3.689 3.960 0.022 0.000 0.260 528 G HA3 -0.284 3.689 3.960 0.022 0.000 0.260 528 G C 0.309 175.222 174.900 0.021 0.000 0.987 528 G CA 0.139 45.243 45.100 0.007 0.000 0.625 528 G HN 0.610 nan 8.290 nan 0.000 0.532 529 E N 1.120 121.338 120.200 0.030 0.000 2.316 529 E HA 0.577 4.940 4.350 0.022 0.000 0.275 529 E C 1.403 178.027 176.600 0.040 0.000 1.029 529 E CA 0.775 57.207 56.400 0.053 0.000 0.871 529 E CB 0.801 30.561 29.700 0.100 0.000 1.022 529 E HN 0.559 nan 8.360 nan 0.000 0.418 530 T N 0.556 115.130 114.554 0.034 0.000 3.046 530 T HA 0.309 4.672 4.350 0.022 0.000 0.270 530 T C 0.571 175.281 174.700 0.016 0.000 0.920 530 T CA -0.444 61.670 62.100 0.024 0.000 0.874 530 T CB 0.092 68.972 68.868 0.021 0.000 1.214 530 T HN 0.253 nan 8.240 nan 0.000 0.536 531 R N 2.644 123.151 120.500 0.011 0.000 2.679 531 R HA 0.410 4.763 4.340 0.022 0.000 0.269 531 R C -2.443 173.839 176.300 -0.030 0.000 1.076 531 R CA -1.663 54.432 56.100 -0.008 0.000 1.160 531 R CB 0.058 30.347 30.300 -0.019 0.000 1.054 531 R HN 0.282 nan 8.270 nan 0.000 0.507 532 P HA 0.093 nan 4.420 nan 0.000 0.276 532 P C -1.092 176.140 177.300 -0.114 0.000 1.244 532 P CA -0.172 62.889 63.100 -0.066 0.000 0.801 532 P CB 0.862 32.525 31.700 -0.062 0.000 1.006 533 L N 3.144 124.281 121.223 -0.142 0.000 2.349 533 L HA 0.563 4.916 4.340 0.022 0.000 0.278 533 L C -0.867 175.861 176.870 -0.236 0.000 0.996 533 L CA -0.718 53.997 54.840 -0.207 0.000 0.825 533 L CB 0.579 42.511 42.059 -0.211 0.000 1.243 533 L HN 0.254 nan 8.230 nan 0.000 0.412 534 I N 5.896 126.330 120.570 -0.227 0.000 2.497 534 I HA 0.247 4.431 4.170 0.022 0.000 0.284 534 I C -0.733 175.287 176.117 -0.162 0.000 1.060 534 I CA -0.579 60.575 61.300 -0.243 0.000 1.071 534 I CB 1.953 39.869 38.000 -0.140 0.000 1.216 534 I HN 0.487 nan 8.210 nan 0.000 0.442 535 L N 5.708 126.804 121.223 -0.213 0.000 2.477 535 L HA 0.013 4.366 4.340 0.022 0.000 0.272 535 L C 1.514 178.449 176.870 0.107 0.000 1.157 535 L CA -0.179 54.599 54.840 -0.104 0.000 0.889 535 L CB 0.524 42.487 42.059 -0.160 0.000 1.158 535 L HN 0.849 nan 8.230 nan 0.000 0.473 536 C N 0.361 119.704 119.300 0.072 0.000 2.456 536 C HA 0.148 4.622 4.460 0.022 0.000 0.279 536 C C 0.658 175.776 174.990 0.213 0.000 1.427 536 C CA -0.228 58.873 59.018 0.140 0.000 1.778 536 C CB -1.097 26.632 27.740 -0.019 0.000 1.842 536 C HN 0.833 nan 8.230 nan 0.000 0.531 537 E N -0.757 119.504 120.200 0.102 0.000 2.321 537 E HA 0.579 4.942 4.350 0.022 0.000 0.281 537 E C -1.421 175.122 176.600 -0.095 0.000 0.910 537 E CA -0.375 56.061 56.400 0.060 0.000 0.770 537 E CB 2.109 31.682 29.700 -0.211 0.000 1.225 537 E HN 0.563 nan 8.360 nan 0.000 0.417 538 Y N -0.583 119.679 120.300 -0.063 0.000 2.713 538 Y HA 0.600 5.164 4.550 0.024 0.000 0.335 538 Y C -0.840 175.198 175.900 0.230 0.000 1.222 538 Y CA -0.778 57.302 58.100 -0.033 0.000 1.061 538 Y CB 0.539 38.846 38.460 -0.255 0.000 1.314 538 Y HN 0.670 nan 8.280 nan 0.000 0.453 539 A N 2.052 124.889 122.820 0.029 0.000 2.475 539 A HA -0.237 4.097 4.320 0.022 0.000 0.295 539 A C -0.197 177.488 177.584 0.169 0.000 1.457 539 A CA 1.031 53.091 52.037 0.039 0.000 0.734 539 A CB -2.588 16.310 19.000 -0.169 0.000 1.118 539 A HN 1.266 nan 8.150 nan 0.000 0.400 540 H N 0.490 119.705 119.070 0.241 0.000 3.145 540 H HA 0.244 4.813 4.556 0.022 0.000 0.288 540 H C 1.012 176.397 175.328 0.095 0.000 0.969 540 H CA 1.085 57.281 56.048 0.246 0.000 1.444 540 H CB 0.554 30.330 29.762 0.023 0.000 1.500 540 H HN 0.850 nan 8.280 nan 0.000 0.552 541 A N 5.213 127.959 122.820 -0.123 0.000 3.105 541 A HA 0.387 4.720 4.320 0.022 0.000 0.272 541 A C 0.803 178.308 177.584 -0.133 0.000 1.466 541 A CA 0.016 51.975 52.037 -0.130 0.000 1.101 541 A CB -0.532 18.363 19.000 -0.176 0.000 1.065 541 A HN 0.729 nan 8.150 nan 0.000 0.643 542 A N 0.466 123.249 122.820 -0.061 0.000 2.410 542 A HA 0.544 4.877 4.320 0.022 0.000 0.292 542 A C 1.425 178.952 177.584 -0.096 0.000 1.232 542 A CA 0.546 52.577 52.037 -0.010 0.000 0.893 542 A CB -0.933 18.177 19.000 0.183 0.000 1.131 542 A HN 2.205 nan 8.150 nan 0.000 0.530 543 G N 2.608 111.324 108.800 -0.141 0.000 2.583 543 G HA2 -0.338 3.636 3.960 0.022 0.000 0.292 543 G HA3 -0.338 3.636 3.960 0.022 0.000 0.292 543 G C 0.505 174.976 174.900 -0.715 0.000 1.203 543 G CA 0.335 45.146 45.100 -0.481 0.000 0.987 543 G HN 1.099 nan 8.290 nan 0.000 0.554 544 N N 1.647 119.752 118.700 -0.992 0.000 2.498 544 N HA 0.448 5.202 4.740 0.022 0.000 0.277 544 N C 0.023 175.317 175.510 -0.360 0.000 1.208 544 N CA 1.144 53.794 53.050 -0.666 0.000 1.029 544 N CB 0.212 38.317 38.487 -0.636 0.000 1.403 544 N HN 0.727 nan 8.380 nan 0.000 0.500 545 S N 1.642 117.211 115.700 -0.218 0.000 2.998 545 S HA 0.610 5.094 4.470 0.022 0.000 0.323 545 S C -0.074 174.474 174.600 -0.087 0.000 1.141 545 S CA -0.389 57.730 58.200 -0.135 0.000 0.873 545 S CB 0.266 63.417 63.200 -0.082 0.000 1.315 545 S HN 0.347 nan 8.310 nan 0.000 0.637 546 L N 0.174 121.374 121.223 -0.038 0.000 4.406 546 L HA -0.050 4.303 4.340 0.022 0.000 0.406 546 L C 0.426 177.342 176.870 0.076 0.000 1.133 546 L CA 0.838 55.677 54.840 -0.001 0.000 0.974 546 L CB -1.735 40.232 42.059 -0.154 0.000 2.152 546 L HN 0.701 nan 8.230 nan 0.000 0.736 547 G N -0.904 107.913 108.800 0.029 0.000 2.406 547 G HA2 0.496 4.469 3.960 0.022 0.000 0.251 547 G HA3 0.496 4.469 3.960 0.022 0.000 0.251 547 G C 1.202 176.151 174.900 0.081 0.000 1.271 547 G CA 0.130 45.224 45.100 -0.010 0.000 0.859 547 G HN 1.386 nan 8.290 nan 0.000 0.540 548 G N 1.433 110.272 108.800 0.064 0.000 2.159 548 G HA2 -0.324 3.650 3.960 0.022 0.000 0.256 548 G HA3 -0.324 3.650 3.960 0.022 0.000 0.256 548 G C 0.998 176.080 174.900 0.303 0.000 0.977 548 G CA 0.776 45.967 45.100 0.151 0.000 0.652 548 G HN 0.812 nan 8.290 nan 0.000 0.531 549 F N 1.734 121.806 119.950 0.203 0.000 2.161 549 F HA 0.134 4.674 4.527 0.023 0.000 0.300 549 F C 2.613 178.626 175.800 0.356 0.000 1.089 549 F CA 2.340 60.536 58.000 0.328 0.000 1.282 549 F CB -0.408 38.726 39.000 0.224 0.000 1.010 549 F HN 0.349 nan 8.300 nan 0.000 0.485 550 A N -0.351 122.630 122.820 0.267 0.000 2.019 550 A HA -0.224 4.110 4.320 0.022 0.000 0.219 550 A C 2.290 179.894 177.584 0.034 0.000 1.164 550 A CA 1.670 53.794 52.037 0.145 0.000 0.644 550 A CB -0.772 18.322 19.000 0.157 0.000 0.805 550 A HN 0.446 nan 8.150 nan 0.000 0.449 551 K N -1.760 118.642 120.400 0.004 0.000 2.148 551 K HA -0.156 4.177 4.320 0.022 0.000 0.204 551 K C 1.650 178.025 176.600 -0.375 0.000 1.050 551 K CA 1.402 57.606 56.287 -0.139 0.000 0.942 551 K CB -0.277 32.142 32.500 -0.134 0.000 0.724 551 K HN 0.538 nan 8.250 nan 0.000 0.446 552 Y N -0.804 119.242 120.300 -0.422 0.000 2.163 552 Y HA -0.204 4.359 4.550 0.021 0.000 0.288 552 Y C 1.853 176.795 175.900 -1.597 0.000 1.136 552 Y CA 1.562 59.066 58.100 -0.993 0.000 1.147 552 Y CB -0.367 37.556 38.460 -0.896 0.000 0.987 552 Y HN 0.157 nan 8.280 nan 0.000 0.509 553 W N -0.096 120.771 121.300 -0.723 0.000 2.425 553 W HA -0.154 4.520 4.660 0.024 0.000 0.277 553 W C 2.556 178.894 176.519 -0.301 0.000 1.231 553 W CA 1.262 58.309 57.345 -0.497 0.000 1.248 553 W CB -0.393 28.865 29.460 -0.338 0.000 1.117 553 W HN 0.039 nan 8.180 nan 0.000 0.568 554 Q N 0.798 120.513 119.800 -0.141 0.000 2.119 554 Q HA -0.138 4.216 4.340 0.022 0.000 0.201 554 Q C 2.163 178.101 176.000 -0.104 0.000 0.972 554 Q CA 1.953 57.712 55.803 -0.073 0.000 0.847 554 Q CB -0.507 28.198 28.738 -0.055 0.000 0.903 554 Q HN 0.268 nan 8.270 nan 0.000 0.433 555 A N 0.089 122.750 122.820 -0.265 0.000 1.897 555 A HA -0.110 4.223 4.320 0.022 0.000 0.215 555 A C 1.818 179.358 177.584 -0.073 0.000 1.181 555 A CA 1.067 52.966 52.037 -0.229 0.000 0.620 555 A CB -0.768 17.969 19.000 -0.438 0.000 0.821 555 A HN 0.352 nan 8.150 nan 0.000 0.443 556 F N 0.369 120.152 119.950 -0.277 0.000 2.126 556 F HA -0.128 4.413 4.527 0.023 0.000 0.299 556 F C 2.516 178.226 175.800 -0.151 0.000 1.096 556 F CA 1.242 59.048 58.000 -0.322 0.000 1.255 556 F CB -0.816 37.781 39.000 -0.671 0.000 0.997 556 F HN 0.189 nan 8.300 nan 0.000 0.479 557 R N -0.264 120.297 120.500 0.101 0.000 2.115 557 R HA -0.130 4.223 4.340 0.022 0.000 0.226 557 R C 2.131 178.469 176.300 0.063 0.000 1.100 557 R CA 1.082 57.223 56.100 0.068 0.000 0.980 557 R CB -0.460 29.873 30.300 0.056 0.000 0.875 557 R HN 0.388 nan 8.270 nan 0.000 0.445 558 Q N -0.135 119.730 119.800 0.109 0.000 2.187 558 Q HA -0.058 4.296 4.340 0.022 0.000 0.199 558 Q C -0.422 175.637 176.000 0.099 0.000 0.957 558 Q CA 0.914 56.785 55.803 0.112 0.000 0.857 558 Q CB 0.357 29.198 28.738 0.172 0.000 0.929 558 Q HN 0.176 nan 8.270 nan 0.000 0.453 559 Y N 0.316 120.601 120.300 -0.024 0.000 2.353 559 Y HA 0.270 4.832 4.550 0.021 0.000 0.340 559 Y C -1.802 174.076 175.900 -0.036 0.000 0.972 559 Y CA -2.865 55.220 58.100 -0.024 0.000 1.157 559 Y CB 1.382 39.833 38.460 -0.015 0.000 1.157 559 Y HN 0.135 nan 8.280 nan 0.000 0.495 560 P HA -0.159 nan 4.420 nan 0.000 0.216 560 P C 1.126 178.427 177.300 0.002 0.000 1.153 560 P CA 1.817 64.918 63.100 0.001 0.000 0.858 560 P CB 0.310 31.994 31.700 -0.026 0.000 0.789 561 R N -1.150 119.371 120.500 0.035 0.000 2.307 561 R HA 0.103 4.457 4.340 0.022 0.000 0.199 561 R C 0.403 176.688 176.300 -0.024 0.000 1.000 561 R CA 0.139 56.243 56.100 0.007 0.000 1.023 561 R CB -0.437 29.879 30.300 0.026 0.000 0.908 561 R HN 0.246 nan 8.270 nan 0.000 0.473 562 L N 1.965 123.191 121.223 0.005 0.000 2.302 562 L HA 0.149 4.503 4.340 0.022 0.000 0.285 562 L C 0.440 177.169 176.870 -0.235 0.000 1.090 562 L CA 0.099 54.894 54.840 -0.076 0.000 0.866 562 L CB 1.151 43.244 42.059 0.057 0.000 1.244 562 L HN 0.066 nan 8.230 nan 0.000 0.435 563 Q N 2.847 122.435 119.800 -0.354 0.000 2.211 563 Q HA 0.318 4.672 4.340 0.022 0.000 0.231 563 Q C 0.814 176.391 176.000 -0.705 0.000 0.865 563 Q CA 0.039 55.589 55.803 -0.421 0.000 0.997 563 Q CB 0.926 29.509 28.738 -0.259 0.000 1.101 563 Q HN 0.932 nan 8.270 nan 0.000 0.468 564 G N -0.415 107.553 108.800 -1.386 0.000 2.428 564 G HA2 0.116 4.090 3.960 0.022 0.000 0.202 564 G HA3 0.116 4.090 3.960 0.022 0.000 0.202 564 G C -0.342 173.707 174.900 -1.418 0.000 1.247 564 G CA -0.761 43.240 45.100 -1.830 0.000 1.020 564 G HN 0.588 nan 8.290 nan 0.000 0.529 565 G N -2.239 106.016 108.800 -0.909 0.000 2.356 565 G HA2 0.643 4.616 3.960 0.022 0.000 0.294 565 G HA3 0.643 4.616 3.960 0.022 0.000 0.294 565 G C -1.779 173.025 174.900 -0.160 0.000 1.423 565 G CA -0.302 44.483 45.100 -0.526 0.000 0.806 565 G HN 1.158 nan 8.290 nan 0.000 0.527 566 F N 0.699 120.855 119.950 0.344 0.000 2.402 566 F HA 0.521 5.061 4.527 0.021 0.000 0.355 566 F C 0.791 176.877 175.800 0.477 0.000 1.123 566 F CA -0.795 57.452 58.000 0.411 0.000 1.021 566 F CB 1.986 41.128 39.000 0.237 0.000 1.160 566 F HN 0.247 nan 8.300 nan 0.000 0.451 567 V N 3.406 123.621 119.914 0.502 0.000 2.763 567 V HA -0.136 3.997 4.120 0.022 0.000 0.306 567 V C -0.271 175.963 176.094 0.234 0.000 1.059 567 V CA -0.222 62.174 62.300 0.160 0.000 1.138 567 V CB 0.716 32.628 31.823 0.147 0.000 0.940 567 V HN 0.773 nan 8.190 nan 0.000 0.489 568 W N 6.592 127.937 121.300 0.074 0.000 2.296 568 W HA 0.461 5.134 4.660 0.022 0.000 0.316 568 W C -0.912 175.576 176.519 -0.052 0.000 1.022 568 W CA -0.695 56.711 57.345 0.103 0.000 1.324 568 W CB 1.347 30.987 29.460 0.301 0.000 1.227 568 W HN 0.928 nan 8.180 nan 0.000 0.409 569 D N 2.312 122.395 120.400 -0.528 0.000 2.895 569 D HA 0.112 4.765 4.640 0.022 0.000 0.320 569 D C 0.745 176.836 176.300 -0.349 0.000 1.249 569 D CA -0.530 53.078 54.000 -0.654 0.000 0.997 569 D CB 0.221 40.106 40.800 -1.525 0.000 1.430 569 D HN 0.369 nan 8.370 nan 0.000 0.558 570 W N 0.283 121.282 121.300 -0.501 0.000 2.413 570 W HA 0.130 4.804 4.660 0.023 0.000 0.315 570 W C 0.012 176.312 176.519 -0.366 0.000 1.186 570 W CA 1.174 58.277 57.345 -0.405 0.000 1.326 570 W CB 0.303 29.552 29.460 -0.352 0.000 1.153 570 W HN 0.148 nan 8.180 nan 0.000 0.489 571 V N 2.615 122.300 119.914 -0.381 0.000 2.680 571 V HA 0.245 4.379 4.120 0.022 0.000 0.309 571 V C -0.740 175.165 176.094 -0.314 0.000 1.052 571 V CA -0.835 61.197 62.300 -0.446 0.000 0.908 571 V CB 1.503 33.182 31.823 -0.240 0.000 1.001 571 V HN -0.085 nan 8.190 nan 0.000 0.431 572 D N 4.138 124.357 120.400 -0.302 0.000 2.488 572 D HA 0.102 4.756 4.640 0.022 0.000 0.238 572 D C 0.260 176.445 176.300 -0.192 0.000 1.138 572 D CA 0.563 54.454 54.000 -0.182 0.000 0.873 572 D CB 0.953 41.732 40.800 -0.035 0.000 1.183 572 D HN 0.618 nan 8.370 nan 0.000 0.458 573 Q N 0.919 120.542 119.800 -0.295 0.000 2.894 573 Q HA 0.110 4.463 4.340 0.022 0.000 0.358 573 Q C -0.029 175.940 176.000 -0.053 0.000 1.155 573 Q CA -0.311 55.099 55.803 -0.656 0.000 0.960 573 Q CB 0.099 28.530 28.738 -0.511 0.000 1.428 573 Q HN 0.359 nan 8.270 nan 0.000 0.437 574 S N -0.364 115.425 115.700 0.148 0.000 2.610 574 S HA 0.599 5.082 4.470 0.022 0.000 0.273 574 S C -0.061 174.684 174.600 0.241 0.000 1.274 574 S CA -0.722 57.644 58.200 0.277 0.000 1.023 574 S CB 1.397 64.740 63.200 0.239 0.000 0.962 574 S HN 0.302 nan 8.310 nan 0.000 0.523 575 L N 1.489 122.768 121.223 0.093 0.000 2.319 575 L HA 0.551 4.905 4.340 0.022 0.000 0.267 575 L C -0.458 176.291 176.870 -0.202 0.000 1.011 575 L CA -1.253 53.518 54.840 -0.116 0.000 0.818 575 L CB 1.409 43.270 42.059 -0.329 0.000 1.316 575 L HN 0.550 nan 8.230 nan 0.000 0.432 576 I N 2.110 122.502 120.570 -0.295 0.000 2.342 576 I HA 0.315 4.498 4.170 0.022 0.000 0.291 576 I C 0.061 175.729 176.117 -0.748 0.000 1.010 576 I CA -0.110 60.880 61.300 -0.517 0.000 1.308 576 I CB 1.060 38.787 38.000 -0.454 0.000 1.400 576 I HN 0.563 nan 8.210 nan 0.000 0.488 577 K N 5.303 124.979 120.400 -1.208 0.000 2.352 577 K HA 0.603 4.937 4.320 0.022 0.000 0.240 577 K C -1.555 174.225 176.600 -1.367 0.000 1.017 577 K CA -0.739 54.780 56.287 -1.281 0.000 0.851 577 K CB 2.393 33.892 32.500 -1.668 0.000 1.261 577 K HN 0.220 nan 8.250 nan 0.000 0.451 578 Y N 0.578 120.664 120.300 -0.357 0.000 2.446 578 Y HA 0.154 4.717 4.550 0.022 0.000 0.345 578 Y C 0.008 176.035 175.900 0.211 0.000 0.984 578 Y CA -1.099 56.974 58.100 -0.044 0.000 1.058 578 Y CB 1.362 39.792 38.460 -0.049 0.000 1.220 578 Y HN 0.679 nan 8.280 nan 0.000 0.455 579 D N -0.392 120.269 120.400 0.435 0.000 2.478 579 D HA 0.150 4.804 4.640 0.022 0.000 0.274 579 D C 0.639 177.036 176.300 0.162 0.000 1.234 579 D CA -0.399 53.767 54.000 0.276 0.000 1.069 579 D CB 0.566 41.457 40.800 0.151 0.000 1.113 579 D HN 0.618 nan 8.370 nan 0.000 0.571 580 E N -0.760 119.493 120.200 0.088 0.000 2.070 580 E HA -0.199 4.164 4.350 0.022 0.000 0.197 580 E C 1.199 177.828 176.600 0.048 0.000 1.004 580 E CA 1.155 57.586 56.400 0.052 0.000 0.805 580 E CB -0.256 29.457 29.700 0.023 0.000 0.744 580 E HN 0.387 nan 8.360 nan 0.000 0.451 581 N N -0.132 118.600 118.700 0.055 0.000 2.575 581 N HA -0.040 4.713 4.740 0.022 0.000 0.192 581 N C 0.946 176.491 175.510 0.058 0.000 1.200 581 N CA 0.994 54.071 53.050 0.046 0.000 0.897 581 N CB 0.758 39.271 38.487 0.044 0.000 0.990 581 N HN 0.327 nan 8.380 nan 0.000 0.449 582 G N 0.808 109.660 108.800 0.086 0.000 2.148 582 G HA2 -0.259 3.714 3.960 0.022 0.000 0.254 582 G HA3 -0.259 3.714 3.960 0.022 0.000 0.254 582 G C -0.123 174.890 174.900 0.189 0.000 0.981 582 G CA -0.279 44.870 45.100 0.082 0.000 0.670 582 G HN 0.310 nan 8.290 nan 0.000 0.528 583 N N 1.727 120.558 118.700 0.217 0.000 2.499 583 N HA 0.417 5.170 4.740 0.022 0.000 0.281 583 N C -2.351 173.336 175.510 0.295 0.000 1.098 583 N CA -1.040 52.147 53.050 0.228 0.000 0.979 583 N CB 1.722 40.304 38.487 0.157 0.000 1.121 583 N HN 0.228 nan 8.380 nan 0.000 0.466 584 P HA 0.266 nan 4.420 nan 0.000 0.278 584 P C -0.619 176.665 177.300 -0.026 0.000 1.238 584 P CA -0.334 62.701 63.100 -0.108 0.000 0.794 584 P CB 0.723 32.355 31.700 -0.114 0.000 0.955 585 W N -0.134 120.948 121.300 -0.364 0.000 3.217 585 W HA 0.398 5.071 4.660 0.022 0.000 0.323 585 W C -1.465 174.867 176.519 -0.311 0.000 1.216 585 W CA -1.076 56.041 57.345 -0.380 0.000 1.194 585 W CB 0.386 29.353 29.460 -0.821 0.000 1.397 585 W HN 0.127 nan 8.180 nan 0.000 0.537 586 S N 1.779 117.505 115.700 0.044 0.000 2.481 586 S HA 0.555 5.039 4.470 0.022 0.000 0.276 586 S C 0.234 174.932 174.600 0.163 0.000 1.247 586 S CA -0.169 58.049 58.200 0.030 0.000 1.053 586 S CB 0.768 64.061 63.200 0.156 0.000 0.925 586 S HN 0.600 nan 8.310 nan 0.000 0.491 587 A N 3.053 125.825 122.820 -0.080 0.000 2.311 587 A HA 0.894 5.228 4.320 0.022 0.000 0.334 587 A C -0.686 177.108 177.584 0.351 0.000 1.139 587 A CA -0.736 51.320 52.037 0.032 0.000 0.830 587 A CB 0.688 19.410 19.000 -0.462 0.000 1.234 587 A HN 0.832 nan 8.150 nan 0.000 0.483 588 Y N -0.958 119.636 120.300 0.490 0.000 3.048 588 Y HA 0.758 5.321 4.550 0.022 0.000 0.305 588 Y C 0.696 176.911 175.900 0.524 0.000 1.538 588 Y CA -1.469 56.911 58.100 0.466 0.000 1.082 588 Y CB -0.144 38.412 38.460 0.160 0.000 1.388 588 Y HN 0.938 nan 8.280 nan 0.000 0.557 589 G N -0.008 109.124 108.800 0.554 0.000 2.138 589 G HA2 0.357 4.330 3.960 0.022 0.000 0.244 589 G HA3 0.357 4.330 3.960 0.022 0.000 0.244 589 G C 0.979 176.170 174.900 0.485 0.000 1.166 589 G CA 0.579 45.934 45.100 0.425 0.000 0.902 589 G HN 1.992 nan 8.290 nan 0.000 0.460 590 G N 2.248 111.313 108.800 0.441 0.000 2.241 590 G HA2 -0.272 3.701 3.960 0.022 0.000 0.244 590 G HA3 -0.272 3.701 3.960 0.022 0.000 0.244 590 G C 0.852 175.951 174.900 0.331 0.000 0.998 590 G CA 0.590 45.898 45.100 0.347 0.000 0.621 590 G HN 0.653 nan 8.290 nan 0.000 0.519 591 D N -0.211 120.414 120.400 0.376 0.000 2.363 591 D HA 0.184 4.837 4.640 0.022 0.000 0.226 591 D C 1.069 177.306 176.300 -0.105 0.000 1.020 591 D CA 0.440 54.523 54.000 0.139 0.000 0.892 591 D CB -0.160 40.676 40.800 0.060 0.000 0.900 591 D HN 0.464 nan 8.370 nan 0.000 0.531 592 F N -0.847 119.221 119.950 0.197 0.000 2.724 592 F HA 0.293 4.833 4.527 0.023 0.000 0.310 592 F C 1.800 177.681 175.800 0.135 0.000 1.107 592 F CA -0.203 57.878 58.000 0.135 0.000 1.218 592 F CB 0.914 39.995 39.000 0.135 0.000 1.042 592 F HN -0.026 nan 8.300 nan 0.000 0.540 593 G N 0.318 109.278 108.800 0.266 0.000 2.176 593 G HA2 -0.266 3.707 3.960 0.022 0.000 0.253 593 G HA3 -0.266 3.707 3.960 0.022 0.000 0.253 593 G C -0.141 174.891 174.900 0.221 0.000 0.979 593 G CA 0.075 45.294 45.100 0.200 0.000 0.641 593 G HN 0.395 nan 8.290 nan 0.000 0.530 594 D N 0.631 121.208 120.400 0.295 0.000 2.450 594 D HA 0.470 5.123 4.640 0.022 0.000 0.247 594 D C 0.073 176.489 176.300 0.194 0.000 1.162 594 D CA 1.098 55.256 54.000 0.264 0.000 0.879 594 D CB 1.496 42.499 40.800 0.339 0.000 1.163 594 D HN 0.426 nan 8.370 nan 0.000 0.472 595 T N 1.414 116.055 114.554 0.146 0.000 3.159 595 T HA 0.404 4.767 4.350 0.022 0.000 0.343 595 T C -2.746 171.998 174.700 0.073 0.000 1.364 595 T CA -1.137 61.023 62.100 0.100 0.000 1.102 595 T CB 0.994 69.920 68.868 0.097 0.000 1.263 595 T HN 0.211 nan 8.240 nan 0.000 0.477 596 P HA 0.477 nan 4.420 nan 0.000 0.270 596 P C -0.946 176.357 177.300 0.005 0.000 1.227 596 P CA -0.187 62.923 63.100 0.017 0.000 0.788 596 P CB 0.319 32.011 31.700 -0.014 0.000 0.926 597 N N -1.676 117.021 118.700 -0.005 0.000 2.823 597 N HA 0.256 5.009 4.740 0.022 0.000 0.251 597 N C -1.402 174.080 175.510 -0.046 0.000 1.392 597 N CA -0.745 52.283 53.050 -0.035 0.000 0.864 597 N CB 0.846 39.384 38.487 0.086 0.000 1.481 597 N HN 0.079 nan 8.380 nan 0.000 0.508 598 D N 0.224 120.565 120.400 -0.099 0.000 2.755 598 D HA 0.136 4.789 4.640 0.022 0.000 0.257 598 D C 0.505 176.838 176.300 0.055 0.000 1.291 598 D CA -0.196 53.834 54.000 0.050 0.000 0.836 598 D CB 0.218 41.045 40.800 0.044 0.000 1.059 598 D HN 0.677 nan 8.370 nan 0.000 0.486 599 R N 0.994 121.514 120.500 0.033 0.000 3.420 599 R HA -0.337 4.016 4.340 0.022 0.000 0.609 599 R C 1.338 177.421 176.300 -0.363 0.000 0.241 599 R CA 1.539 57.617 56.100 -0.036 0.000 1.874 599 R CB -1.601 28.563 30.300 -0.227 0.000 0.810 599 R HN 0.192 nan 8.270 nan 0.000 0.638 600 Q N 1.684 120.861 119.800 -1.039 0.000 2.515 600 Q HA -0.061 4.293 4.340 0.022 0.000 0.212 600 Q C 1.644 177.324 176.000 -0.533 0.000 0.970 600 Q CA 1.495 56.611 55.803 -1.144 0.000 0.941 600 Q CB -0.013 27.925 28.738 -1.332 0.000 0.998 600 Q HN 0.600 nan 8.270 nan 0.000 0.518 601 F N 1.401 121.236 119.950 -0.192 0.000 2.641 601 F HA -0.046 4.495 4.527 0.023 0.000 0.298 601 F C 2.243 178.019 175.800 -0.040 0.000 1.146 601 F CA 0.266 58.253 58.000 -0.023 0.000 1.464 601 F CB -0.982 38.082 39.000 0.106 0.000 1.101 601 F HN 0.399 nan 8.300 nan 0.000 0.585 602 C N -1.533 117.585 119.300 -0.303 0.000 2.576 602 C HA 0.308 4.781 4.460 0.022 0.000 0.267 602 C C 0.966 175.811 174.990 -0.242 0.000 1.364 602 C CA -0.486 58.182 59.018 -0.585 0.000 1.723 602 C CB -1.772 25.049 27.740 -1.531 0.000 1.778 602 C HN 0.193 nan 8.230 nan 0.000 0.572 603 M N 3.849 123.371 119.600 -0.129 0.000 2.027 603 M HA 0.321 4.814 4.480 0.022 0.000 0.329 603 M C -0.424 175.853 176.300 -0.038 0.000 0.971 603 M CA 0.254 55.512 55.300 -0.070 0.000 0.933 603 M CB 0.359 32.951 32.600 -0.013 0.000 1.392 603 M HN 0.436 nan 8.290 nan 0.000 0.394 604 N N 1.373 120.013 118.700 -0.099 0.000 2.545 604 N HA 0.171 4.924 4.740 0.022 0.000 0.283 604 N C -0.223 175.111 175.510 -0.293 0.000 1.596 604 N CA -0.351 52.602 53.050 -0.163 0.000 0.862 604 N CB 0.981 39.325 38.487 -0.239 0.000 1.422 604 N HN 0.642 nan 8.380 nan 0.000 0.489 605 G N 0.288 108.874 108.800 -0.358 0.000 2.477 605 G HA2 0.488 4.461 3.960 0.022 0.000 0.304 605 G HA3 0.488 4.461 3.960 0.022 0.000 0.304 605 G C 0.883 175.357 174.900 -0.711 0.000 1.175 605 G CA -0.678 44.106 45.100 -0.527 0.000 0.907 605 G HN 0.129 nan 8.290 nan 0.000 0.509 606 L N -0.223 120.583 121.223 -0.695 0.000 2.313 606 L HA 0.102 4.456 4.340 0.022 0.000 0.214 606 L C 0.879 177.174 176.870 -0.959 0.000 1.119 606 L CA 0.438 54.886 54.840 -0.654 0.000 0.809 606 L CB -0.323 41.474 42.059 -0.437 0.000 0.933 606 L HN 0.383 nan 8.230 nan 0.000 0.449 607 V N -5.167 114.025 119.914 -1.202 0.000 2.914 607 V HA 0.479 4.612 4.120 0.022 0.000 0.314 607 V C -0.181 175.369 176.094 -0.906 0.000 1.084 607 V CA -1.260 60.432 62.300 -1.013 0.000 0.963 607 V CB 1.595 32.864 31.823 -0.924 0.000 1.025 607 V HN -0.165 nan 8.190 nan 0.000 0.432 608 F N 1.653 121.402 119.950 -0.336 0.000 2.480 608 F HA 0.565 5.106 4.527 0.023 0.000 0.319 608 F C 1.920 177.621 175.800 -0.164 0.000 1.230 608 F CA 0.654 58.600 58.000 -0.090 0.000 1.285 608 F CB 0.700 39.718 39.000 0.029 0.000 1.208 608 F HN 0.778 nan 8.300 nan 0.000 0.579 609 A N 0.668 123.564 122.820 0.128 0.000 1.978 609 A HA -0.206 4.127 4.320 0.022 0.000 0.220 609 A C 1.662 179.206 177.584 -0.067 0.000 1.170 609 A CA 1.850 53.905 52.037 0.030 0.000 0.636 609 A CB -0.977 18.073 19.000 0.082 0.000 0.810 609 A HN 0.781 nan 8.150 nan 0.000 0.448 610 D N -2.868 117.514 120.400 -0.029 0.000 2.328 610 D HA 0.092 4.746 4.640 0.022 0.000 0.226 610 D C 0.635 176.911 176.300 -0.039 0.000 1.066 610 D CA 0.078 54.032 54.000 -0.078 0.000 0.861 610 D CB -0.123 40.639 40.800 -0.063 0.000 0.912 610 D HN 0.182 nan 8.370 nan 0.000 0.521 611 R N -1.657 118.823 120.500 -0.034 0.000 3.804 611 R HA -0.117 4.236 4.340 0.022 0.000 0.459 611 R C -0.400 175.897 176.300 -0.006 0.000 1.009 611 R CA 1.000 57.070 56.100 -0.050 0.000 1.210 611 R CB -3.205 27.099 30.300 0.007 0.000 1.860 611 R HN 0.238 nan 8.270 nan 0.000 0.526 612 T N 2.328 116.932 114.554 0.083 0.000 2.870 612 T HA 0.351 4.714 4.350 0.022 0.000 0.300 612 T C -2.322 172.496 174.700 0.197 0.000 0.989 612 T CA -0.838 61.349 62.100 0.146 0.000 1.139 612 T CB 1.091 70.052 68.868 0.155 0.000 0.920 612 T HN -0.091 nan 8.240 nan 0.000 0.537 613 P HA 0.151 nan 4.420 nan 0.000 0.271 613 P C -0.149 177.198 177.300 0.078 0.000 1.218 613 P CA -0.188 62.910 63.100 -0.004 0.000 0.780 613 P CB 0.403 32.110 31.700 0.013 0.000 0.901 614 H N 2.898 121.796 119.070 -0.286 0.000 2.505 614 H HA 0.116 4.685 4.556 0.022 0.000 0.355 614 H C -1.319 173.916 175.328 -0.156 0.000 1.179 614 H CA -1.947 53.902 56.048 -0.332 0.000 1.343 614 H CB 0.663 30.183 29.762 -0.402 0.000 1.501 614 H HN 0.352 nan 8.280 nan 0.000 0.569 615 P HA -0.199 nan 4.420 nan 0.000 0.216 615 P C 1.140 178.449 177.300 0.014 0.000 1.150 615 P CA 1.602 64.698 63.100 -0.007 0.000 0.843 615 P CB 0.075 31.767 31.700 -0.012 0.000 0.787 616 A N -0.835 121.996 122.820 0.020 0.000 2.076 616 A HA -0.190 4.144 4.320 0.022 0.000 0.220 616 A C 2.047 179.595 177.584 -0.061 0.000 1.160 616 A CA 1.215 53.230 52.037 -0.036 0.000 0.653 616 A CB -1.545 17.415 19.000 -0.067 0.000 0.801 616 A HN 0.163 nan 8.150 nan 0.000 0.455 617 L N -0.683 120.524 121.223 -0.027 0.000 2.083 617 L HA -0.106 4.247 4.340 0.022 0.000 0.209 617 L C 2.513 179.442 176.870 0.097 0.000 1.083 617 L CA 2.692 57.550 54.840 0.030 0.000 0.752 617 L CB -1.017 41.056 42.059 0.023 0.000 0.899 617 L HN 0.372 nan 8.230 nan 0.000 0.433 618 T N -1.644 112.971 114.554 0.102 0.000 2.867 618 T HA -0.188 4.175 4.350 0.022 0.000 0.268 618 T C 1.799 176.622 174.700 0.206 0.000 1.057 618 T CA 1.384 63.599 62.100 0.192 0.000 1.136 618 T CB -0.101 68.864 68.868 0.161 0.000 0.874 618 T HN 0.463 nan 8.240 nan 0.000 0.466 619 E N 0.841 121.105 120.200 0.106 0.000 2.077 619 E HA 0.048 4.412 4.350 0.022 0.000 0.193 619 E C 2.153 178.798 176.600 0.075 0.000 0.989 619 E CA 1.391 57.860 56.400 0.116 0.000 0.800 619 E CB -0.605 29.126 29.700 0.051 0.000 0.746 619 E HN 0.532 nan 8.360 nan 0.000 0.452 620 A N 0.932 123.696 122.820 -0.093 0.000 1.898 620 A HA -0.202 4.131 4.320 0.022 0.000 0.216 620 A C 2.168 179.666 177.584 -0.144 0.000 1.181 620 A CA 1.837 53.782 52.037 -0.152 0.000 0.620 620 A CB -0.603 18.292 19.000 -0.176 0.000 0.819 620 A HN 0.261 nan 8.150 nan 0.000 0.442 621 K N -1.184 119.201 120.400 -0.026 0.000 2.032 621 K HA -0.287 4.046 4.320 0.022 0.000 0.209 621 K C 2.075 178.575 176.600 -0.167 0.000 1.048 621 K CA 2.010 58.284 56.287 -0.022 0.000 0.927 621 K CB -0.363 32.277 32.500 0.232 0.000 0.712 621 K HN 0.631 nan 8.250 nan 0.000 0.441 622 H N 0.385 119.287 119.070 -0.281 0.000 2.321 622 H HA -0.045 4.525 4.556 0.023 0.000 0.300 622 H C 1.957 177.017 175.328 -0.447 0.000 1.087 622 H CA 1.858 57.556 56.048 -0.583 0.000 1.319 622 H CB 0.079 29.560 29.762 -0.468 0.000 1.379 622 H HN 0.237 nan 8.280 nan 0.000 0.501 623 Q N 0.164 119.714 119.800 -0.416 0.000 2.297 623 Q HA -0.067 4.287 4.340 0.022 0.000 0.204 623 Q C 1.398 176.840 176.000 -0.930 0.000 0.962 623 Q CA 1.090 56.557 55.803 -0.560 0.000 0.879 623 Q CB 0.112 28.671 28.738 -0.298 0.000 0.947 623 Q HN 0.705 nan 8.270 nan 0.000 0.462 624 Q N 0.112 119.332 119.800 -0.966 0.000 2.247 624 Q HA 0.096 4.450 4.340 0.022 0.000 0.205 624 Q C -0.204 175.222 176.000 -0.957 0.000 0.896 624 Q CA -0.218 54.857 55.803 -1.213 0.000 0.950 624 Q CB 0.401 28.453 28.738 -1.143 0.000 1.054 624 Q HN 0.356 nan 8.270 nan 0.000 0.482 625 Q N -0.409 118.981 119.800 -0.683 0.000 2.386 625 Q HA -0.033 4.320 4.340 0.022 0.000 0.282 625 Q C -0.177 175.459 176.000 -0.606 0.000 1.050 625 Q CA 0.421 55.958 55.803 -0.443 0.000 0.918 625 Q CB 0.453 29.019 28.738 -0.288 0.000 1.266 625 Q HN 0.310 nan 8.270 nan 0.000 0.423 626 F N 0.408 120.126 119.950 -0.387 0.000 2.727 626 F HA 0.231 4.771 4.527 0.022 0.000 0.302 626 F C -0.256 174.997 175.800 -0.912 0.000 1.097 626 F CA -0.037 57.507 58.000 -0.761 0.000 1.330 626 F CB 0.509 38.739 39.000 -1.283 0.000 1.084 626 F HN 0.296 nan 8.300 nan 0.000 0.578 627 F N 0.433 120.281 119.950 -0.170 0.000 2.518 627 F HA 0.475 5.016 4.527 0.023 0.000 0.323 627 F C -0.079 175.342 175.800 -0.631 0.000 1.129 627 F CA -1.170 56.626 58.000 -0.340 0.000 0.920 627 F CB 1.302 40.142 39.000 -0.267 0.000 1.160 627 F HN -0.305 nan 8.300 nan 0.000 0.440 628 Q N 2.852 122.380 119.800 -0.452 0.000 2.257 628 Q HA 0.601 4.955 4.340 0.022 0.000 0.262 628 Q C -1.289 174.381 176.000 -0.549 0.000 0.997 628 Q CA -0.587 54.979 55.803 -0.395 0.000 0.873 628 Q CB 2.616 31.256 28.738 -0.163 0.000 1.312 628 Q HN 0.512 nan 8.270 nan 0.000 0.450 629 F N 0.032 120.111 119.950 0.215 0.000 2.588 629 F HA 0.600 5.141 4.527 0.023 0.000 0.314 629 F C 0.239 176.275 175.800 0.393 0.000 1.069 629 F CA -0.800 57.405 58.000 0.340 0.000 0.931 629 F CB 1.945 41.283 39.000 0.563 0.000 1.260 629 F HN 0.146 nan 8.300 nan 0.000 0.465 630 R N 1.571 122.365 120.500 0.490 0.000 2.651 630 R HA 0.664 5.018 4.340 0.022 0.000 0.278 630 R C -2.087 174.218 176.300 0.007 0.000 1.010 630 R CA -1.140 55.144 56.100 0.307 0.000 0.896 630 R CB 3.062 33.460 30.300 0.164 0.000 1.211 630 R HN 0.568 nan 8.270 nan 0.000 0.456 631 L N 0.807 121.912 121.223 -0.196 0.000 2.346 631 L HA 0.603 4.956 4.340 0.022 0.000 0.276 631 L C -0.972 175.748 176.870 -0.251 0.000 1.006 631 L CA 0.018 54.559 54.840 -0.499 0.000 0.817 631 L CB 2.125 43.493 42.059 -1.153 0.000 1.272 631 L HN 0.572 nan 8.230 nan 0.000 0.421 632 S N 3.557 119.127 115.700 -0.217 0.000 2.737 632 S HA 0.656 5.140 4.470 0.022 0.000 0.269 632 S C 0.214 174.730 174.600 -0.141 0.000 1.150 632 S CA 0.194 58.312 58.200 -0.135 0.000 1.077 632 S CB 0.249 63.399 63.200 -0.084 0.000 1.075 632 S HN 1.591 nan 8.310 nan 0.000 0.476 633 G N 4.603 113.325 108.800 -0.130 0.000 2.629 633 G HA2 -0.290 3.684 3.960 0.022 0.000 0.313 633 G HA3 -0.290 3.684 3.960 0.022 0.000 0.313 633 G C 0.391 175.198 174.900 -0.156 0.000 1.217 633 G CA 0.677 45.705 45.100 -0.119 0.000 0.994 633 G HN 0.673 nan 8.290 nan 0.000 0.549 634 Q N 1.262 120.975 119.800 -0.147 0.000 2.280 634 Q HA 0.197 4.551 4.340 0.022 0.000 0.201 634 Q C 0.498 176.377 176.000 -0.202 0.000 0.890 634 Q CA 0.752 56.447 55.803 -0.180 0.000 0.947 634 Q CB 0.601 29.251 28.738 -0.147 0.000 1.081 634 Q HN 0.528 nan 8.270 nan 0.000 0.502 635 T N 1.323 115.768 114.554 -0.180 0.000 2.767 635 T HA 0.528 4.892 4.350 0.022 0.000 0.284 635 T C 0.203 174.786 174.700 -0.195 0.000 0.973 635 T CA -0.262 61.740 62.100 -0.162 0.000 0.996 635 T CB 1.221 70.025 68.868 -0.107 0.000 0.927 635 T HN 0.010 nan 8.240 nan 0.000 0.456 636 I N 2.752 123.219 120.570 -0.171 0.000 2.362 636 I HA 0.314 4.498 4.170 0.022 0.000 0.289 636 I C 0.368 176.479 176.117 -0.010 0.000 0.994 636 I CA -0.627 60.585 61.300 -0.145 0.000 1.158 636 I CB 1.555 39.471 38.000 -0.139 0.000 1.315 636 I HN 0.585 nan 8.210 nan 0.000 0.451 637 E N 6.729 126.955 120.200 0.044 0.000 2.109 637 E HA 0.422 4.785 4.350 0.022 0.000 0.278 637 E C -1.496 175.202 176.600 0.164 0.000 0.954 637 E CA -0.583 55.866 56.400 0.081 0.000 0.779 637 E CB 1.553 31.285 29.700 0.053 0.000 1.093 637 E HN 0.337 nan 8.360 nan 0.000 0.401 638 V N 4.268 124.271 119.914 0.147 0.000 2.394 638 V HA 0.318 4.451 4.120 0.022 0.000 0.282 638 V C -0.033 176.097 176.094 0.060 0.000 1.031 638 V CA -0.512 61.861 62.300 0.123 0.000 0.881 638 V CB 1.702 33.633 31.823 0.180 0.000 0.982 638 V HN 0.710 nan 8.190 nan 0.000 0.451 639 T N 3.249 117.796 114.554 -0.012 0.000 2.807 639 T HA 0.337 4.701 4.350 0.022 0.000 0.279 639 T C -0.081 174.619 174.700 -0.000 0.000 0.993 639 T CA -0.301 61.798 62.100 -0.002 0.000 0.970 639 T CB 1.564 70.408 68.868 -0.041 0.000 0.950 639 T HN 0.664 nan 8.240 nan 0.000 0.441 640 S N 1.751 117.458 115.700 0.011 0.000 2.499 640 S HA 0.214 4.697 4.470 0.022 0.000 0.279 640 S C 0.802 175.278 174.600 -0.207 0.000 1.219 640 S CA -0.555 57.572 58.200 -0.121 0.000 1.062 640 S CB 0.567 63.776 63.200 0.016 0.000 0.978 640 S HN 0.718 nan 8.310 nan 0.000 0.489 641 E N 3.001 122.976 120.200 -0.374 0.000 2.474 641 E HA 0.080 4.443 4.350 0.022 0.000 0.195 641 E C -0.721 175.709 176.600 -0.283 0.000 1.039 641 E CA -0.084 56.134 56.400 -0.303 0.000 0.881 641 E CB 0.268 29.761 29.700 -0.344 0.000 0.970 641 E HN 0.668 nan 8.360 nan 0.000 0.486 642 Y N 0.407 120.586 120.300 -0.202 0.000 2.397 642 Y HA -0.016 4.547 4.550 0.022 0.000 0.335 642 Y C 1.409 177.155 175.900 -0.257 0.000 1.213 642 Y CA 0.430 58.416 58.100 -0.190 0.000 1.391 642 Y CB 0.616 38.947 38.460 -0.215 0.000 1.293 642 Y HN -0.059 nan 8.280 nan 0.000 0.557 643 L N 0.758 121.832 121.223 -0.248 0.000 2.470 643 L HA 0.055 4.409 4.340 0.022 0.000 0.219 643 L C 0.629 177.061 176.870 -0.730 0.000 1.071 643 L CA 0.505 54.956 54.840 -0.649 0.000 0.850 643 L CB 0.019 41.391 42.059 -1.146 0.000 1.040 643 L HN 0.554 nan 8.230 nan 0.000 0.475 644 F N -0.545 119.426 119.950 0.036 0.000 2.581 644 F HA 0.211 4.750 4.527 0.021 0.000 0.278 644 F C 1.293 177.087 175.800 -0.010 0.000 1.000 644 F CA -0.798 57.199 58.000 -0.006 0.000 1.230 644 F CB -0.081 38.895 39.000 -0.040 0.000 1.008 644 F HN -0.153 nan 8.300 nan 0.000 0.695 645 R N 0.442 121.001 120.500 0.098 0.000 2.500 645 R HA 0.392 4.745 4.340 0.022 0.000 0.275 645 R C -0.924 175.373 176.300 -0.005 0.000 1.051 645 R CA -0.515 55.577 56.100 -0.013 0.000 1.088 645 R CB 0.627 30.805 30.300 -0.202 0.000 1.063 645 R HN 0.106 nan 8.270 nan 0.000 0.511 646 H N 0.459 119.506 119.070 -0.037 0.000 2.505 646 H HA 0.115 4.684 4.556 0.022 0.000 0.355 646 H C -0.050 175.284 175.328 0.011 0.000 1.179 646 H CA 0.190 56.248 56.048 0.016 0.000 1.343 646 H CB 1.303 31.081 29.762 0.026 0.000 1.501 646 H HN 0.769 nan 8.280 nan 0.000 0.569 647 S N 1.691 117.412 115.700 0.035 0.000 4.183 647 S HA -0.017 4.466 4.470 0.022 0.000 0.195 647 S C 0.041 174.730 174.600 0.149 0.000 1.421 647 S CA -0.346 57.944 58.200 0.150 0.000 0.920 647 S CB -0.671 62.662 63.200 0.223 0.000 1.525 647 S HN 0.694 nan 8.310 nan 0.000 0.447 648 D N 0.782 121.260 120.400 0.130 0.000 2.319 648 D HA 0.042 4.696 4.640 0.022 0.000 0.230 648 D C 0.324 176.661 176.300 0.062 0.000 1.094 648 D CA -0.192 53.869 54.000 0.103 0.000 0.856 648 D CB -0.361 40.486 40.800 0.079 0.000 0.915 648 D HN 0.509 nan 8.370 nan 0.000 0.517 649 N N -0.000 118.740 118.700 0.067 0.000 2.604 649 N HA 0.131 4.884 4.740 0.022 0.000 0.284 649 N C -1.583 173.971 175.510 0.073 0.000 1.716 649 N CA -0.190 52.893 53.050 0.055 0.000 0.859 649 N CB 0.356 38.870 38.487 0.044 0.000 1.403 649 N HN -0.058 nan 8.380 nan 0.000 0.501 650 E N -0.100 120.130 120.200 0.051 0.000 2.321 650 E HA 0.544 4.907 4.350 0.022 0.000 0.278 650 E C -1.534 175.045 176.600 -0.035 0.000 0.902 650 E CA -0.770 55.639 56.400 0.015 0.000 0.758 650 E CB 2.107 31.793 29.700 -0.024 0.000 1.213 650 E HN 0.259 nan 8.360 nan 0.000 0.426 651 L N 0.199 121.379 121.223 -0.073 0.000 2.422 651 L HA 0.719 5.073 4.340 0.022 0.000 0.264 651 L C -1.736 175.031 176.870 -0.172 0.000 0.984 651 L CA -0.999 53.766 54.840 -0.126 0.000 0.819 651 L CB 1.215 43.169 42.059 -0.176 0.000 1.330 651 L HN 0.478 nan 8.230 nan 0.000 0.410 652 L N 3.642 124.798 121.223 -0.111 0.000 2.264 652 L HA 0.563 4.917 4.340 0.022 0.000 0.289 652 L C -0.638 176.230 176.870 -0.004 0.000 1.044 652 L CA 0.274 55.102 54.840 -0.020 0.000 0.807 652 L CB 0.246 42.358 42.059 0.088 0.000 1.192 652 L HN 0.610 nan 8.230 nan 0.000 0.425 653 H N 5.373 124.518 119.070 0.125 0.000 2.458 653 H HA 0.443 5.012 4.556 0.022 0.000 0.330 653 H C -0.988 174.440 175.328 0.167 0.000 1.111 653 H CA -0.276 55.818 56.048 0.076 0.000 1.245 653 H CB 1.085 30.852 29.762 0.008 0.000 1.456 653 H HN 0.700 nan 8.280 nan 0.000 0.488 654 W N 3.342 124.744 121.300 0.171 0.000 2.936 654 W HA 0.548 5.222 4.660 0.022 0.000 0.338 654 W C -1.642 174.932 176.519 0.092 0.000 1.121 654 W CA -1.248 56.166 57.345 0.115 0.000 1.209 654 W CB 1.459 30.969 29.460 0.083 0.000 1.420 654 W HN 0.460 nan 8.180 nan 0.000 0.516 655 M N 3.613 123.383 119.600 0.283 0.000 2.324 655 M HA 0.587 5.080 4.480 0.022 0.000 0.288 655 M C -2.495 173.971 176.300 0.277 0.000 1.097 655 M CA -0.652 54.709 55.300 0.103 0.000 0.928 655 M CB 1.971 34.567 32.600 -0.008 0.000 1.648 655 M HN 0.193 nan 8.290 nan 0.000 0.460 656 V N 4.240 124.308 119.914 0.257 0.000 2.409 656 V HA 1.001 5.135 4.120 0.022 0.000 0.291 656 V C -0.355 175.840 176.094 0.169 0.000 1.020 656 V CA -0.238 62.222 62.300 0.268 0.000 0.848 656 V CB 1.031 33.038 31.823 0.308 0.000 0.990 656 V HN 1.066 nan 8.190 nan 0.000 0.430 657 A N 4.595 127.527 122.820 0.186 0.000 2.435 657 A HA 0.896 5.229 4.320 0.022 0.000 0.304 657 A C -1.420 176.278 177.584 0.190 0.000 1.064 657 A CA -0.652 51.464 52.037 0.132 0.000 0.727 657 A CB 1.756 20.792 19.000 0.060 0.000 1.284 657 A HN 0.824 nan 8.150 nan 0.000 0.415 658 L N 1.505 122.810 121.223 0.137 0.000 2.265 658 L HA 0.504 4.857 4.340 0.022 0.000 0.289 658 L C -0.499 176.466 176.870 0.159 0.000 1.033 658 L CA 0.260 55.195 54.840 0.160 0.000 0.814 658 L CB 0.235 42.355 42.059 0.101 0.000 1.203 658 L HN 0.758 nan 8.230 nan 0.000 0.423 659 D N 4.820 125.382 120.400 0.269 0.000 2.692 659 D HA -0.216 4.437 4.640 0.022 0.000 0.233 659 D C 1.172 177.499 176.300 0.045 0.000 1.172 659 D CA 1.437 55.586 54.000 0.247 0.000 0.636 659 D CB -1.070 39.837 40.800 0.179 0.000 1.028 659 D HN 1.196 nan 8.370 nan 0.000 0.419 660 G N -0.660 108.130 108.800 -0.017 0.000 2.205 660 G HA2 -0.377 3.597 3.960 0.022 0.000 0.261 660 G HA3 -0.377 3.597 3.960 0.022 0.000 0.261 660 G C 0.271 175.082 174.900 -0.149 0.000 0.980 660 G CA 0.556 45.534 45.100 -0.203 0.000 0.632 660 G HN 0.487 nan 8.290 nan 0.000 0.533 661 K N 1.759 122.125 120.400 -0.057 0.000 2.267 661 K HA 0.447 4.780 4.320 0.022 0.000 0.282 661 K C -2.588 173.997 176.600 -0.025 0.000 1.078 661 K CA -1.888 54.370 56.287 -0.048 0.000 0.903 661 K CB 1.427 33.916 32.500 -0.018 0.000 1.111 661 K HN 0.074 nan 8.250 nan 0.000 0.475 662 P HA -0.036 nan 4.420 nan 0.000 0.265 662 P C -0.103 177.189 177.300 -0.013 0.000 1.193 662 P CA 0.297 63.373 63.100 -0.040 0.000 0.765 662 P CB 0.600 32.253 31.700 -0.079 0.000 0.823 663 L N 1.241 122.472 121.223 0.013 0.000 2.854 663 L HA 0.518 4.871 4.340 0.022 0.000 0.249 663 L C 0.704 177.594 176.870 0.034 0.000 1.091 663 L CA 0.141 54.999 54.840 0.030 0.000 0.935 663 L CB 0.347 42.442 42.059 0.061 0.000 1.367 663 L HN 0.373 nan 8.230 nan 0.000 0.524 664 A N -0.074 122.766 122.820 0.032 0.000 2.608 664 A HA 0.745 5.078 4.320 0.022 0.000 0.292 664 A C -0.944 176.510 177.584 -0.216 0.000 1.066 664 A CA 0.122 52.162 52.037 0.006 0.000 0.676 664 A CB 1.644 20.767 19.000 0.205 0.000 1.277 664 A HN 0.068 nan 8.150 nan 0.000 0.413 665 S N -0.755 114.582 115.700 -0.605 0.000 2.615 665 S HA 0.940 5.424 4.470 0.022 0.000 0.268 665 S C -0.277 173.487 174.600 -1.394 0.000 1.146 665 S CA 0.081 57.540 58.200 -1.235 0.000 0.818 665 S CB 0.846 63.683 63.200 -0.605 0.000 1.111 665 S HN 2.716 nan 8.310 nan 0.000 0.465 666 G N -0.079 107.743 108.800 -1.631 0.000 2.430 666 G HA2 0.633 4.606 3.960 0.022 0.000 0.300 666 G HA3 0.633 4.606 3.960 0.022 0.000 0.300 666 G C -2.302 172.384 174.900 -0.357 0.000 1.330 666 G CA -0.339 44.337 45.100 -0.706 0.000 0.813 666 G HN 1.238 nan 8.290 nan 0.000 0.487 667 E N -1.493 118.758 120.200 0.085 0.000 2.343 667 E HA 0.652 5.016 4.350 0.022 0.000 0.278 667 E C -1.718 174.980 176.600 0.162 0.000 0.910 667 E CA -0.995 55.500 56.400 0.159 0.000 0.757 667 E CB 2.613 32.388 29.700 0.124 0.000 1.218 667 E HN 0.477 nan 8.360 nan 0.000 0.435 668 V N 2.063 122.055 119.914 0.130 0.000 2.709 668 V HA 0.441 4.574 4.120 0.022 0.000 0.308 668 V C -2.453 173.660 176.094 0.031 0.000 1.062 668 V CA -2.150 60.208 62.300 0.097 0.000 0.901 668 V CB 1.970 33.866 31.823 0.122 0.000 1.003 668 V HN 0.676 nan 8.190 nan 0.000 0.425 669 P HA 0.293 nan 4.420 nan 0.000 0.271 669 P C -0.788 176.523 177.300 0.019 0.000 1.216 669 P CA -0.119 62.988 63.100 0.011 0.000 0.776 669 P CB 0.535 32.250 31.700 0.026 0.000 0.881 670 L N 3.195 124.419 121.223 0.001 0.000 2.292 670 L HA 0.350 4.703 4.340 0.022 0.000 0.284 670 L C 0.357 177.252 176.870 0.041 0.000 1.065 670 L CA 0.136 54.975 54.840 -0.002 0.000 0.806 670 L CB 0.898 42.904 42.059 -0.087 0.000 1.175 670 L HN 0.358 nan 8.230 nan 0.000 0.431 671 D N 3.128 123.563 120.400 0.058 0.000 2.735 671 D HA 0.211 4.864 4.640 0.022 0.000 0.291 671 D C -1.324 174.992 176.300 0.027 0.000 1.205 671 D CA -0.104 53.963 54.000 0.112 0.000 0.777 671 D CB 1.163 42.055 40.800 0.154 0.000 1.234 671 D HN 0.096 nan 8.370 nan 0.000 0.520 672 V N 1.504 121.348 119.914 -0.116 0.000 2.459 672 V HA 0.870 5.003 4.120 0.022 0.000 0.295 672 V C 0.099 175.862 176.094 -0.552 0.000 1.029 672 V CA -0.423 61.776 62.300 -0.168 0.000 0.874 672 V CB 1.217 33.075 31.823 0.057 0.000 0.985 672 V HN 0.492 nan 8.190 nan 0.000 0.438 673 A N 8.849 131.410 122.820 -0.432 0.000 2.313 673 A HA 0.688 5.021 4.320 0.022 0.000 0.261 673 A C -2.394 175.135 177.584 -0.093 0.000 1.090 673 A CA -1.413 50.446 52.037 -0.296 0.000 0.807 673 A CB -0.016 19.033 19.000 0.082 0.000 1.055 673 A HN 0.778 nan 8.150 nan 0.000 0.492 674 P HA 0.033 nan 4.420 nan 0.000 0.263 674 P C -0.565 176.721 177.300 -0.023 0.000 1.195 674 P CA 0.606 63.706 63.100 0.000 0.000 0.762 674 P CB 0.926 32.628 31.700 0.004 0.000 0.799 675 Q N -0.779 118.995 119.800 -0.043 0.000 2.342 675 Q HA -0.143 4.211 4.340 0.022 0.000 0.196 675 Q C 0.786 176.771 176.000 -0.025 0.000 0.629 675 Q CA 1.842 57.615 55.803 -0.049 0.000 1.365 675 Q CB -2.489 26.218 28.738 -0.052 0.000 1.406 675 Q HN 0.768 nan 8.270 nan 0.000 0.840 676 G N 0.213 109.006 108.800 -0.011 0.000 2.537 676 G HA2 0.574 4.547 3.960 0.022 0.000 0.297 676 G HA3 0.574 4.547 3.960 0.022 0.000 0.297 676 G C -0.230 174.678 174.900 0.014 0.000 1.310 676 G CA -0.461 44.641 45.100 0.003 0.000 1.027 676 G HN -0.008 nan 8.290 nan 0.000 0.505 677 K N -0.813 119.600 120.400 0.023 0.000 2.443 677 K HA 0.482 4.816 4.320 0.022 0.000 0.251 677 K C -1.063 175.561 176.600 0.040 0.000 0.972 677 K CA -0.662 55.645 56.287 0.034 0.000 0.833 677 K CB 2.646 35.161 32.500 0.025 0.000 1.317 677 K HN 0.497 nan 8.250 nan 0.000 0.441 678 Q N 2.363 122.193 119.800 0.051 0.000 2.305 678 Q HA 0.389 4.742 4.340 0.022 0.000 0.271 678 Q C -1.643 174.384 176.000 0.045 0.000 1.046 678 Q CA -0.637 55.195 55.803 0.049 0.000 0.798 678 Q CB 1.507 30.279 28.738 0.056 0.000 1.286 678 Q HN 0.532 nan 8.270 nan 0.000 0.435 679 L N 5.081 126.320 121.223 0.027 0.000 2.275 679 L HA 0.549 4.902 4.340 0.022 0.000 0.288 679 L C -0.442 176.427 176.870 -0.002 0.000 1.046 679 L CA -0.606 54.240 54.840 0.009 0.000 0.805 679 L CB 1.208 43.265 42.059 -0.004 0.000 1.193 679 L HN 0.577 nan 8.230 nan 0.000 0.426 680 I N 3.285 123.842 120.570 -0.021 0.000 2.410 680 I HA 0.237 4.420 4.170 0.022 0.000 0.286 680 I C -0.379 175.672 176.117 -0.110 0.000 1.009 680 I CA -0.707 60.565 61.300 -0.047 0.000 1.111 680 I CB 1.845 39.827 38.000 -0.031 0.000 1.262 680 I HN 0.491 nan 8.210 nan 0.000 0.443 681 E N 7.180 127.316 120.200 -0.107 0.000 2.167 681 E HA 0.404 4.767 4.350 0.022 0.000 0.284 681 E C -0.467 176.005 176.600 -0.214 0.000 1.016 681 E CA -0.500 55.815 56.400 -0.141 0.000 0.817 681 E CB 1.805 31.451 29.700 -0.091 0.000 1.080 681 E HN 0.483 nan 8.360 nan 0.000 0.397 682 L N 4.680 125.713 121.223 -0.316 0.000 2.371 682 L HA 0.269 4.623 4.340 0.022 0.000 0.272 682 L C -1.938 174.757 176.870 -0.291 0.000 1.124 682 L CA -1.835 52.709 54.840 -0.493 0.000 0.816 682 L CB 0.347 42.005 42.059 -0.668 0.000 1.129 682 L HN 0.150 nan 8.230 nan 0.000 0.448 683 P HA -0.025 nan 4.420 nan 0.000 0.269 683 P C -0.486 176.778 177.300 -0.060 0.000 1.215 683 P CA -0.380 62.684 63.100 -0.060 0.000 0.780 683 P CB 0.400 32.141 31.700 0.068 0.000 0.898 684 E N 2.941 123.124 120.200 -0.028 0.000 2.585 684 E HA -0.044 4.319 4.350 0.022 0.000 0.252 684 E C -0.881 175.724 176.600 0.009 0.000 0.981 684 E CA 0.469 56.856 56.400 -0.021 0.000 0.943 684 E CB 0.016 29.710 29.700 -0.010 0.000 0.923 684 E HN 0.353 nan 8.360 nan 0.000 0.486 685 L N 7.993 129.218 121.223 0.004 0.000 2.275 685 L HA 0.338 4.691 4.340 0.022 0.000 0.288 685 L C -1.776 175.114 176.870 0.034 0.000 1.046 685 L CA -2.088 52.777 54.840 0.042 0.000 0.805 685 L CB 1.385 43.474 42.059 0.050 0.000 1.193 685 L HN 0.385 nan 8.230 nan 0.000 0.426 686 P HA 0.033 nan 4.420 nan 0.000 0.267 686 P C -0.955 176.363 177.300 0.031 0.000 1.209 686 P CA -0.470 62.649 63.100 0.032 0.000 0.763 686 P CB 0.792 32.513 31.700 0.035 0.000 0.816 687 Q N 4.659 124.471 119.800 0.021 0.000 2.263 687 Q HA 0.132 4.485 4.340 0.022 0.000 0.289 687 Q C -1.475 174.540 176.000 0.024 0.000 1.061 687 Q CA -0.565 55.249 55.803 0.019 0.000 0.927 687 Q CB -0.758 27.987 28.738 0.012 0.000 1.154 687 Q HN 0.445 nan 8.270 nan 0.000 0.378 688 P HA -0.002 nan 4.420 nan 0.000 0.271 688 P C -0.209 177.106 177.300 0.026 0.000 1.233 688 P CA -0.206 62.913 63.100 0.031 0.000 0.789 688 P CB 1.103 32.827 31.700 0.040 0.000 0.951 689 E N 0.257 120.472 120.200 0.025 0.000 2.034 689 E HA -0.010 4.353 4.350 0.022 0.000 0.192 689 E C 0.914 177.529 176.600 0.025 0.000 0.963 689 E CA 0.728 57.142 56.400 0.022 0.000 0.831 689 E CB -1.069 28.643 29.700 0.020 0.000 0.801 689 E HN 0.637 nan 8.360 nan 0.000 0.463 690 S N 1.291 117.008 115.700 0.028 0.000 2.566 690 S HA 0.273 4.757 4.470 0.022 0.000 0.280 690 S C 0.461 175.084 174.600 0.037 0.000 1.343 690 S CA -0.165 58.055 58.200 0.032 0.000 1.036 690 S CB 0.798 64.019 63.200 0.034 0.000 0.866 690 S HN 0.331 nan 8.310 nan 0.000 0.526 691 A N 1.934 124.777 122.820 0.039 0.000 2.366 691 A HA 0.698 5.032 4.320 0.022 0.000 0.250 691 A C 1.022 178.640 177.584 0.056 0.000 1.099 691 A CA 0.192 52.255 52.037 0.043 0.000 0.794 691 A CB -0.757 18.268 19.000 0.043 0.000 1.056 691 A HN 2.377 nan 8.150 nan 0.000 0.499 692 G N -1.116 107.719 108.800 0.058 0.000 2.361 692 G HA2 0.453 4.427 3.960 0.022 0.000 0.331 692 G HA3 0.453 4.427 3.960 0.022 0.000 0.331 692 G C -1.127 173.814 174.900 0.069 0.000 1.324 692 G CA -0.107 45.042 45.100 0.082 0.000 0.984 692 G HN 1.205 nan 8.290 nan 0.000 0.586 693 Q N -0.287 119.574 119.800 0.102 0.000 2.290 693 Q HA 0.734 5.087 4.340 0.022 0.000 0.259 693 Q C -0.332 175.725 176.000 0.094 0.000 0.941 693 Q CA -0.601 55.222 55.803 0.034 0.000 0.912 693 Q CB 1.303 30.031 28.738 -0.016 0.000 1.244 693 Q HN 0.593 nan 8.270 nan 0.000 0.441 694 L N 4.209 125.424 121.223 -0.012 0.000 2.326 694 L HA 0.453 4.807 4.340 0.022 0.000 0.278 694 L C -0.784 176.075 176.870 -0.017 0.000 1.092 694 L CA -0.345 54.533 54.840 0.064 0.000 0.810 694 L CB 0.685 42.765 42.059 0.036 0.000 1.153 694 L HN 0.680 nan 8.230 nan 0.000 0.439 695 W N 4.316 125.680 121.300 0.108 0.000 2.739 695 W HA 0.499 5.172 4.660 0.022 0.000 0.331 695 W C -0.836 175.792 176.519 0.182 0.000 1.049 695 W CA -0.538 56.894 57.345 0.145 0.000 1.234 695 W CB 1.740 31.307 29.460 0.178 0.000 1.404 695 W HN 0.121 nan 8.180 nan 0.000 0.477 696 L N 3.638 125.141 121.223 0.467 0.000 2.296 696 L HA 0.756 5.109 4.340 0.022 0.000 0.286 696 L C -0.402 176.777 176.870 0.515 0.000 1.023 696 L CA 0.144 55.248 54.840 0.441 0.000 0.812 696 L CB 1.239 43.523 42.059 0.374 0.000 1.223 696 L HN 0.304 nan 8.230 nan 0.000 0.421 697 T N 5.229 120.029 114.554 0.411 0.000 2.824 697 T HA 0.677 5.040 4.350 0.022 0.000 0.282 697 T C -0.736 174.155 174.700 0.317 0.000 0.993 697 T CA -0.415 61.883 62.100 0.331 0.000 0.967 697 T CB 1.540 70.537 68.868 0.216 0.000 0.960 697 T HN 0.624 nan 8.240 nan 0.000 0.441 698 V N 1.723 121.800 119.914 0.273 0.000 2.769 698 V HA 0.960 5.093 4.120 0.022 0.000 0.312 698 V C -0.820 175.357 176.094 0.137 0.000 1.061 698 V CA -1.350 61.071 62.300 0.201 0.000 0.931 698 V CB 1.976 33.860 31.823 0.102 0.000 1.010 698 V HN 1.031 nan 8.190 nan 0.000 0.433 699 R N 1.845 122.450 120.500 0.174 0.000 2.668 699 R HA 0.839 5.192 4.340 0.022 0.000 0.272 699 R C -2.111 174.317 176.300 0.212 0.000 1.019 699 R CA -0.852 55.391 56.100 0.238 0.000 0.894 699 R CB 2.148 32.592 30.300 0.240 0.000 1.228 699 R HN 0.528 nan 8.270 nan 0.000 0.460 700 V N 2.733 122.799 119.914 0.253 0.000 2.370 700 V HA 0.383 4.517 4.120 0.022 0.000 0.279 700 V C -0.268 175.926 176.094 0.167 0.000 1.029 700 V CA -0.603 61.797 62.300 0.166 0.000 0.870 700 V CB 1.487 33.406 31.823 0.160 0.000 0.984 700 V HN 0.546 nan 8.190 nan 0.000 0.451 701 V N 5.098 125.070 119.914 0.097 0.000 2.628 701 V HA 0.414 4.547 4.120 0.022 0.000 0.306 701 V C -0.242 175.908 176.094 0.093 0.000 1.045 701 V CA -0.778 61.591 62.300 0.116 0.000 0.905 701 V CB 1.985 33.903 31.823 0.159 0.000 0.997 701 V HN 0.890 nan 8.190 nan 0.000 0.436 702 Q N 4.878 124.756 119.800 0.131 0.000 2.390 702 Q HA 0.263 4.617 4.340 0.022 0.000 0.249 702 Q C -1.879 174.161 176.000 0.066 0.000 0.996 702 Q CA -1.714 54.154 55.803 0.109 0.000 0.899 702 Q CB 1.779 30.604 28.738 0.145 0.000 1.216 702 Q HN 0.468 nan 8.270 nan 0.000 0.465 703 P HA -0.170 nan 4.420 nan 0.000 0.216 703 P C -0.323 176.985 177.300 0.014 0.000 1.150 703 P CA 1.251 64.370 63.100 0.032 0.000 0.837 703 P CB 0.387 32.100 31.700 0.022 0.000 0.786 704 N N -0.572 118.127 118.700 -0.003 0.000 2.456 704 N HA 0.389 5.142 4.740 0.022 0.000 0.296 704 N C -0.149 175.317 175.510 -0.073 0.000 1.102 704 N CA -0.521 52.512 53.050 -0.028 0.000 0.924 704 N CB 1.116 39.588 38.487 -0.026 0.000 1.186 704 N HN -0.079 nan 8.380 nan 0.000 0.492 705 A N 0.720 123.490 122.820 -0.084 0.000 2.386 705 A HA 0.487 4.820 4.320 0.022 0.000 0.246 705 A C 0.747 178.212 177.584 -0.199 0.000 1.089 705 A CA 0.066 52.018 52.037 -0.142 0.000 0.790 705 A CB -0.016 18.927 19.000 -0.095 0.000 1.042 705 A HN 0.769 nan 8.150 nan 0.000 0.497 706 T N -3.434 110.921 114.554 -0.331 0.000 2.716 706 T HA 0.625 4.989 4.350 0.022 0.000 0.286 706 T C 0.911 175.447 174.700 -0.273 0.000 1.052 706 T CA 0.042 61.924 62.100 -0.364 0.000 1.024 706 T CB 1.086 69.514 68.868 -0.732 0.000 1.349 706 T HN 1.412 nan 8.240 nan 0.000 0.525 707 A N -0.026 122.725 122.820 -0.114 0.000 2.067 707 A HA 0.088 4.421 4.320 0.022 0.000 0.219 707 A C 1.687 179.417 177.584 0.244 0.000 1.158 707 A CA 1.242 53.333 52.037 0.089 0.000 0.661 707 A CB -0.906 18.183 19.000 0.148 0.000 0.801 707 A HN 0.919 nan 8.150 nan 0.000 0.452 708 W N -0.801 120.570 121.300 0.117 0.000 2.870 708 W HA 0.399 5.073 4.660 0.023 0.000 0.358 708 W C -0.115 176.378 176.519 -0.043 0.000 1.043 708 W CA 0.541 57.916 57.345 0.050 0.000 1.692 708 W CB -0.990 28.480 29.460 0.017 0.000 1.100 708 W HN 0.411 nan 8.180 nan 0.000 0.557 709 S N 0.171 115.478 115.700 -0.655 0.000 2.579 709 S HA 0.476 4.959 4.470 0.022 0.000 0.272 709 S C -0.944 173.444 174.600 -0.353 0.000 1.141 709 S CA -0.778 57.078 58.200 -0.572 0.000 0.843 709 S CB 2.690 65.198 63.200 -1.152 0.000 1.122 709 S HN 0.108 nan 8.310 nan 0.000 0.468 710 E N 0.548 120.649 120.200 -0.165 0.000 2.280 710 E HA 0.602 4.966 4.350 0.022 0.000 0.264 710 E C 0.115 176.690 176.600 -0.042 0.000 1.064 710 E CA -0.955 55.402 56.400 -0.073 0.000 0.900 710 E CB 1.089 30.788 29.700 -0.002 0.000 1.123 710 E HN 0.866 nan 8.360 nan 0.000 0.418 711 A N 0.719 123.524 122.820 -0.025 0.000 2.511 711 A HA 0.392 4.725 4.320 0.022 0.000 0.242 711 A C 1.148 178.757 177.584 0.042 0.000 1.069 711 A CA 0.765 52.803 52.037 0.001 0.000 0.763 711 A CB -0.524 18.476 19.000 0.000 0.000 1.001 711 A HN 0.821 nan 8.150 nan 0.000 0.498 712 G N 0.606 109.447 108.800 0.067 0.000 2.175 712 G HA2 -0.237 3.736 3.960 0.022 0.000 0.244 712 G HA3 -0.237 3.736 3.960 0.022 0.000 0.244 712 G C 0.259 175.229 174.900 0.117 0.000 0.982 712 G CA 0.599 45.751 45.100 0.087 0.000 0.641 712 G HN 1.740 nan 8.290 nan 0.000 0.527 713 H N 0.969 120.066 119.070 0.045 0.000 3.094 713 H HA 0.396 4.966 4.556 0.022 0.000 0.320 713 H C 0.770 176.194 175.328 0.160 0.000 1.000 713 H CA 0.425 56.525 56.048 0.088 0.000 1.413 713 H CB 0.118 29.905 29.762 0.042 0.000 1.405 713 H HN 0.315 nan 8.280 nan 0.000 0.586 714 I N 4.995 125.338 120.570 -0.378 0.000 2.312 714 I HA 0.028 4.212 4.170 0.022 0.000 0.291 714 I C 0.935 176.938 176.117 -0.190 0.000 1.031 714 I CA 0.016 61.233 61.300 -0.137 0.000 1.293 714 I CB 1.350 39.344 38.000 -0.009 0.000 1.403 714 I HN 0.764 nan 8.210 nan 0.000 0.484 715 S N 4.291 120.076 115.700 0.141 0.000 2.511 715 S HA 0.535 5.018 4.470 0.022 0.000 0.214 715 S C 0.479 175.344 174.600 0.442 0.000 0.997 715 S CA -0.028 58.393 58.200 0.368 0.000 0.908 715 S CB 0.538 64.068 63.200 0.550 0.000 0.803 715 S HN 0.718 nan 8.310 nan 0.000 0.504 716 A N 0.402 123.518 122.820 0.492 0.000 2.597 716 A HA 0.651 4.984 4.320 0.022 0.000 0.292 716 A C -1.810 176.132 177.584 0.597 0.000 1.057 716 A CA -0.842 51.454 52.037 0.432 0.000 0.674 716 A CB 0.292 19.593 19.000 0.501 0.000 1.278 716 A HN 0.955 nan 8.150 nan 0.000 0.416 717 W N -0.342 121.156 121.300 0.330 0.000 3.005 717 W HA 0.811 5.485 4.660 0.023 0.000 0.343 717 W C -1.243 175.358 176.519 0.136 0.000 1.243 717 W CA -0.583 56.848 57.345 0.144 0.000 1.186 717 W CB 1.133 30.642 29.460 0.082 0.000 1.453 717 W HN 1.046 nan 8.180 nan 0.000 0.575 718 Q N 0.967 120.843 119.800 0.127 0.000 2.594 718 Q HA 0.400 4.753 4.340 0.022 0.000 0.278 718 Q C -1.580 174.261 176.000 -0.265 0.000 0.961 718 Q CA -0.461 55.249 55.803 -0.156 0.000 0.844 718 Q CB 2.291 30.775 28.738 -0.425 0.000 1.475 718 Q HN 0.625 nan 8.270 nan 0.000 0.389 719 Q N 1.251 120.829 119.800 -0.370 0.000 2.433 719 Q HA 0.688 5.041 4.340 0.022 0.000 0.279 719 Q C -1.092 174.736 176.000 -0.286 0.000 1.105 719 Q CA -0.734 55.033 55.803 -0.060 0.000 0.815 719 Q CB 2.513 31.428 28.738 0.295 0.000 1.403 719 Q HN 0.585 nan 8.270 nan 0.000 0.435 720 W N 0.825 122.287 121.300 0.270 0.000 3.256 720 W HA 0.397 5.070 4.660 0.022 0.000 0.324 720 W C -0.566 175.860 176.519 -0.155 0.000 1.196 720 W CA -0.618 56.770 57.345 0.072 0.000 1.206 720 W CB 1.692 31.174 29.460 0.036 0.000 1.385 720 W HN 0.442 nan 8.180 nan 0.000 0.522 721 R N 2.034 122.393 120.500 -0.236 0.000 2.340 721 R HA 0.507 4.860 4.340 0.022 0.000 0.300 721 R C 0.436 176.579 176.300 -0.261 0.000 1.069 721 R CA -0.178 55.514 56.100 -0.681 0.000 0.984 721 R CB 1.272 31.119 30.300 -0.755 0.000 1.003 721 R HN 0.319 nan 8.270 nan 0.000 0.459 722 L N 1.260 122.340 121.223 -0.238 0.000 2.783 722 L HA 0.528 4.882 4.340 0.022 0.000 0.205 722 L C 0.556 177.349 176.870 -0.128 0.000 1.985 722 L CA -1.014 53.757 54.840 -0.115 0.000 2.546 722 L CB -0.072 41.959 42.059 -0.047 0.000 2.829 722 L HN 0.585 nan 8.230 nan 0.000 0.614 723 A N 0.432 123.204 122.820 -0.079 0.000 2.445 723 A HA 0.231 4.564 4.320 0.022 0.000 0.242 723 A C -0.317 177.225 177.584 -0.070 0.000 1.075 723 A CA 0.246 52.244 52.037 -0.064 0.000 0.777 723 A CB 0.116 19.095 19.000 -0.035 0.000 1.013 723 A HN 0.604 nan 8.150 nan 0.000 0.493 724 E N 1.396 121.560 120.200 -0.060 0.000 2.272 724 E HA 0.334 4.697 4.350 0.022 0.000 0.269 724 E C -1.487 175.103 176.600 -0.018 0.000 0.877 724 E CA -0.731 55.641 56.400 -0.047 0.000 0.755 724 E CB 1.001 30.660 29.700 -0.068 0.000 1.192 724 E HN 0.692 nan 8.360 nan 0.000 0.422 725 N N 5.049 123.749 118.700 0.001 0.000 2.524 725 N HA 0.273 5.026 4.740 0.022 0.000 0.261 725 N C -0.621 174.901 175.510 0.020 0.000 0.998 725 N CA -0.377 52.679 53.050 0.010 0.000 0.915 725 N CB 1.299 39.795 38.487 0.015 0.000 1.187 725 N HN 0.481 nan 8.380 nan 0.000 0.507 726 L N 0.905 122.139 121.223 0.018 0.000 2.453 726 L HA 0.106 4.459 4.340 0.022 0.000 0.272 726 L C 1.341 178.229 176.870 0.030 0.000 1.182 726 L CA 0.070 54.926 54.840 0.027 0.000 0.858 726 L CB 0.488 42.561 42.059 0.024 0.000 1.120 726 L HN 0.375 nan 8.230 nan 0.000 0.474 727 S N 1.866 117.589 115.700 0.038 0.000 2.510 727 S HA 0.236 4.720 4.470 0.022 0.000 0.279 727 S C 0.606 175.226 174.600 0.034 0.000 1.284 727 S CA -0.709 57.514 58.200 0.038 0.000 1.059 727 S CB 0.819 64.047 63.200 0.047 0.000 0.901 727 S HN 0.481 nan 8.310 nan 0.000 0.491 728 V N 2.117 122.049 119.914 0.029 0.000 3.432 728 V HA 0.319 4.452 4.120 0.022 0.000 0.298 728 V C 0.733 176.841 176.094 0.025 0.000 1.464 728 V CA 0.178 62.493 62.300 0.026 0.000 1.046 728 V CB -0.788 31.048 31.823 0.020 0.000 0.887 728 V HN 0.877 nan 8.190 nan 0.000 0.441 729 T N 1.440 116.010 114.554 0.027 0.000 2.916 729 T HA 0.550 4.913 4.350 0.022 0.000 0.303 729 T C -0.359 174.357 174.700 0.026 0.000 1.025 729 T CA -0.101 62.014 62.100 0.025 0.000 1.142 729 T CB 0.938 69.822 68.868 0.028 0.000 0.947 729 T HN 0.196 nan 8.240 nan 0.000 0.544 730 L N 5.294 126.530 121.223 0.022 0.000 2.292 730 L HA 0.450 4.803 4.340 0.022 0.000 0.284 730 L C -1.360 175.523 176.870 0.021 0.000 1.065 730 L CA -1.787 53.065 54.840 0.020 0.000 0.806 730 L CB 0.023 42.090 42.059 0.014 0.000 1.175 730 L HN 0.641 nan 8.230 nan 0.000 0.431 731 P HA 0.291 nan 4.420 nan 0.000 0.275 731 P C -0.685 176.623 177.300 0.015 0.000 1.227 731 P CA -0.545 62.572 63.100 0.028 0.000 0.781 731 P CB 1.068 32.791 31.700 0.038 0.000 0.906 732 A N 3.077 125.903 122.820 0.011 0.000 2.540 732 A HA 0.391 4.724 4.320 0.022 0.000 0.239 732 A C 0.885 178.443 177.584 -0.043 0.000 1.061 732 A CA 0.036 52.062 52.037 -0.019 0.000 0.758 732 A CB -0.500 18.485 19.000 -0.026 0.000 0.991 732 A HN 0.773 nan 8.150 nan 0.000 0.502 733 A N 3.455 126.237 122.820 -0.063 0.000 2.580 733 A HA 0.413 4.746 4.320 0.022 0.000 0.244 733 A C 1.133 178.643 177.584 -0.124 0.000 1.045 733 A CA 0.487 52.482 52.037 -0.070 0.000 0.761 733 A CB -0.734 18.225 19.000 -0.068 0.000 0.962 733 A HN 2.066 nan 8.150 nan 0.000 0.512 734 S N 2.319 117.991 115.700 -0.046 0.000 2.559 734 S HA 0.040 4.523 4.470 0.022 0.000 0.282 734 S C 0.627 175.203 174.600 -0.040 0.000 1.336 734 S CA 0.742 58.950 58.200 0.015 0.000 1.037 734 S CB 0.078 63.320 63.200 0.071 0.000 0.853 734 S HN 0.729 nan 8.310 nan 0.000 0.523 735 H N 1.183 120.269 119.070 0.026 0.000 2.448 735 H HA 0.490 5.060 4.556 0.022 0.000 0.292 735 H C 0.934 176.278 175.328 0.027 0.000 1.035 735 H CA 1.127 57.189 56.048 0.024 0.000 1.349 735 H CB -0.207 29.570 29.762 0.024 0.000 1.425 735 H HN 0.862 nan 8.280 nan 0.000 0.539 736 A N 0.444 123.368 122.820 0.172 0.000 2.430 736 A HA 0.654 4.987 4.320 0.022 0.000 0.300 736 A C -0.972 176.665 177.584 0.089 0.000 1.124 736 A CA -0.704 51.399 52.037 0.111 0.000 0.766 736 A CB 1.306 20.369 19.000 0.104 0.000 1.328 736 A HN 0.146 nan 8.150 nan 0.000 0.424 737 I N 1.420 122.037 120.570 0.077 0.000 2.406 737 I HA 0.341 4.525 4.170 0.022 0.000 0.290 737 I C -2.346 173.821 176.117 0.085 0.000 0.999 737 I CA -2.063 59.276 61.300 0.064 0.000 1.124 737 I CB 2.064 40.093 38.000 0.048 0.000 1.289 737 I HN 0.392 nan 8.210 nan 0.000 0.441 738 P HA -0.010 nan 4.420 nan 0.000 0.266 738 P C -0.865 176.503 177.300 0.114 0.000 1.195 738 P CA 0.219 63.377 63.100 0.096 0.000 0.768 738 P CB 0.301 32.013 31.700 0.020 0.000 0.838 739 H N 3.132 122.243 119.070 0.068 0.000 2.459 739 H HA 0.406 4.976 4.556 0.022 0.000 0.332 739 H C -1.269 174.101 175.328 0.070 0.000 1.094 739 H CA -0.860 55.222 56.048 0.057 0.000 1.224 739 H CB 1.118 30.914 29.762 0.057 0.000 1.449 739 H HN 0.218 nan 8.280 nan 0.000 0.484 740 L N 4.736 125.678 121.223 -0.469 0.000 2.282 740 L HA 0.330 4.683 4.340 0.022 0.000 0.288 740 L C -0.695 176.040 176.870 -0.225 0.000 1.033 740 L CA -0.079 54.626 54.840 -0.225 0.000 0.807 740 L CB 1.519 43.462 42.059 -0.193 0.000 1.209 740 L HN 0.576 nan 8.230 nan 0.000 0.423 741 T N 3.562 118.176 114.554 0.099 0.000 2.809 741 T HA 0.403 4.767 4.350 0.022 0.000 0.296 741 T C -0.286 174.528 174.700 0.191 0.000 1.015 741 T CA -0.318 61.890 62.100 0.179 0.000 0.954 741 T CB 0.757 69.769 68.868 0.240 0.000 0.950 741 T HN 0.664 nan 8.240 nan 0.000 0.450 742 T N 3.575 118.232 114.554 0.171 0.000 2.767 742 T HA 0.602 4.966 4.350 0.022 0.000 0.288 742 T C 0.271 175.019 174.700 0.080 0.000 0.963 742 T CA -0.657 61.565 62.100 0.203 0.000 1.019 742 T CB 0.797 69.820 68.868 0.259 0.000 0.923 742 T HN 0.679 nan 8.240 nan 0.000 0.468 743 S N 1.651 117.350 115.700 -0.002 0.000 2.671 743 S HA 0.448 4.931 4.470 0.022 0.000 0.299 743 S C 1.023 175.561 174.600 -0.104 0.000 1.116 743 S CA -0.977 57.205 58.200 -0.030 0.000 0.912 743 S CB 1.869 65.062 63.200 -0.012 0.000 1.130 743 S HN 0.720 nan 8.310 nan 0.000 0.501 744 E N -0.136 120.020 120.200 -0.073 0.000 2.130 744 E HA -0.166 4.197 4.350 0.022 0.000 0.196 744 E C 1.059 177.582 176.600 -0.130 0.000 0.998 744 E CA 1.324 57.671 56.400 -0.089 0.000 0.806 744 E CB -0.094 29.577 29.700 -0.049 0.000 0.738 744 E HN 0.620 nan 8.360 nan 0.000 0.459 745 M N 0.440 119.977 119.600 -0.106 0.000 2.492 745 M HA 0.157 4.651 4.480 0.022 0.000 0.255 745 M C -0.276 175.946 176.300 -0.130 0.000 1.139 745 M CA 0.568 55.809 55.300 -0.098 0.000 1.096 745 M CB 0.369 32.946 32.600 -0.038 0.000 1.360 745 M HN -0.060 nan 8.290 nan 0.000 0.480 746 D N -1.115 119.186 120.400 -0.166 0.000 2.583 746 D HA 0.366 5.020 4.640 0.022 0.000 0.248 746 D C -1.483 174.716 176.300 -0.168 0.000 1.209 746 D CA -0.354 53.569 54.000 -0.127 0.000 0.848 746 D CB 2.248 43.075 40.800 0.045 0.000 1.431 746 D HN -0.180 nan 8.370 nan 0.000 0.436 747 F N 1.083 121.119 119.950 0.143 0.000 2.403 747 F HA 0.324 4.864 4.527 0.022 0.000 0.355 747 F C -0.036 175.898 175.800 0.224 0.000 1.119 747 F CA -0.860 57.212 58.000 0.120 0.000 1.007 747 F CB 1.095 40.119 39.000 0.040 0.000 1.194 747 F HN 0.131 nan 8.300 nan 0.000 0.443 748 C N 5.108 124.632 119.300 0.374 0.000 2.351 748 C HA 0.738 5.211 4.460 0.022 0.000 0.326 748 C C -0.102 175.087 174.990 0.331 0.000 1.272 748 C CA -0.784 58.447 59.018 0.356 0.000 1.650 748 C CB 0.413 28.310 27.740 0.260 0.000 2.257 748 C HN 0.503 nan 8.230 nan 0.000 0.505 749 I N 3.339 124.155 120.570 0.410 0.000 2.404 749 I HA 0.468 4.652 4.170 0.022 0.000 0.293 749 I C -0.271 176.136 176.117 0.483 0.000 0.992 749 I CA -0.084 61.440 61.300 0.373 0.000 1.149 749 I CB 1.404 39.580 38.000 0.292 0.000 1.315 749 I HN 0.582 nan 8.210 nan 0.000 0.446 750 E N 6.042 126.470 120.200 0.381 0.000 2.222 750 E HA 0.770 5.133 4.350 0.022 0.000 0.267 750 E C -1.387 175.399 176.600 0.311 0.000 0.884 750 E CA -0.665 55.927 56.400 0.320 0.000 0.764 750 E CB 2.515 32.324 29.700 0.181 0.000 1.169 750 E HN 0.363 nan 8.360 nan 0.000 0.413 751 L N 2.411 123.823 121.223 0.315 0.000 2.596 751 L HA 0.607 4.961 4.340 0.022 0.000 0.265 751 L C 0.449 177.418 176.870 0.164 0.000 0.962 751 L CA 0.633 55.628 54.840 0.260 0.000 0.891 751 L CB 1.079 43.354 42.059 0.360 0.000 1.248 751 L HN 0.646 nan 8.230 nan 0.000 0.410 752 G N 4.641 113.497 108.800 0.095 0.000 2.629 752 G HA2 -0.465 3.508 3.960 0.022 0.000 0.313 752 G HA3 -0.465 3.508 3.960 0.022 0.000 0.313 752 G C 0.682 175.589 174.900 0.013 0.000 1.217 752 G CA 0.848 45.975 45.100 0.044 0.000 0.994 752 G HN 0.945 nan 8.290 nan 0.000 0.549 753 N N 1.566 120.261 118.700 -0.008 0.000 2.322 753 N HA 0.178 4.931 4.740 0.022 0.000 0.194 753 N C 0.295 175.758 175.510 -0.078 0.000 1.126 753 N CA 0.768 53.794 53.050 -0.041 0.000 0.845 753 N CB 0.006 38.466 38.487 -0.044 0.000 0.976 753 N HN 0.620 nan 8.380 nan 0.000 0.475 754 K N 0.097 120.438 120.400 -0.097 0.000 2.203 754 K HA 0.506 4.840 4.320 0.022 0.000 0.251 754 K C -0.530 175.899 176.600 -0.286 0.000 0.944 754 K CA -0.692 55.418 56.287 -0.295 0.000 0.829 754 K CB 2.302 34.493 32.500 -0.515 0.000 1.125 754 K HN -0.056 nan 8.250 nan 0.000 0.430 755 R N 1.113 121.380 120.500 -0.389 0.000 2.673 755 R HA 0.420 4.773 4.340 0.022 0.000 0.281 755 R C -1.257 174.943 176.300 -0.166 0.000 0.991 755 R CA -0.850 55.218 56.100 -0.054 0.000 0.896 755 R CB 1.829 32.215 30.300 0.144 0.000 1.201 755 R HN 0.552 nan 8.270 nan 0.000 0.457 756 W N 2.155 123.582 121.300 0.210 0.000 2.785 756 W HA 0.329 5.003 4.660 0.022 0.000 0.333 756 W C -0.528 176.100 176.519 0.181 0.000 1.062 756 W CA -0.487 56.917 57.345 0.098 0.000 1.233 756 W CB 2.305 31.846 29.460 0.134 0.000 1.413 756 W HN 0.423 nan 8.180 nan 0.000 0.489 757 Q N 2.831 122.742 119.800 0.185 0.000 2.310 757 Q HA 0.448 4.802 4.340 0.022 0.000 0.270 757 Q C -1.954 174.017 176.000 -0.048 0.000 1.025 757 Q CA -0.454 55.477 55.803 0.214 0.000 0.772 757 Q CB 1.407 30.322 28.738 0.296 0.000 1.253 757 Q HN 0.323 nan 8.270 nan 0.000 0.450 758 F N 2.881 122.916 119.950 0.142 0.000 2.402 758 F HA 0.322 4.862 4.527 0.022 0.000 0.355 758 F C 0.521 176.367 175.800 0.077 0.000 1.123 758 F CA -0.919 57.137 58.000 0.094 0.000 1.021 758 F CB 1.275 40.332 39.000 0.095 0.000 1.160 758 F HN 0.507 nan 8.300 nan 0.000 0.451 759 N N 3.549 122.357 118.700 0.180 0.000 2.475 759 N HA 0.062 4.816 4.740 0.022 0.000 0.267 759 N C 0.947 176.496 175.510 0.064 0.000 1.169 759 N CA 0.089 53.198 53.050 0.098 0.000 0.947 759 N CB 0.758 39.302 38.487 0.096 0.000 1.061 759 N HN 0.692 nan 8.380 nan 0.000 0.466 760 R N 2.352 122.821 120.500 -0.052 0.000 2.236 760 R HA -0.022 4.332 4.340 0.022 0.000 0.208 760 R C 1.355 177.617 176.300 -0.062 0.000 1.036 760 R CA 0.941 56.972 56.100 -0.115 0.000 1.001 760 R CB 0.303 30.407 30.300 -0.327 0.000 0.896 760 R HN 0.684 nan 8.270 nan 0.000 0.464 761 Q N -0.431 119.350 119.800 -0.032 0.000 2.297 761 Q HA -0.001 4.352 4.340 0.022 0.000 0.203 761 Q C 2.038 178.036 176.000 -0.004 0.000 0.931 761 Q CA 1.381 57.171 55.803 -0.021 0.000 0.885 761 Q CB 0.475 29.210 28.738 -0.006 0.000 0.991 761 Q HN 0.294 nan 8.270 nan 0.000 0.498 762 S N -0.925 114.796 115.700 0.035 0.000 2.456 762 S HA 0.146 4.629 4.470 0.022 0.000 0.224 762 S C 1.571 176.131 174.600 -0.067 0.000 1.035 762 S CA 0.677 58.920 58.200 0.070 0.000 0.940 762 S CB 0.348 63.682 63.200 0.223 0.000 0.799 762 S HN 0.454 nan 8.310 nan 0.000 0.508 763 G N 0.520 109.301 108.800 -0.032 0.000 2.136 763 G HA2 -0.189 3.784 3.960 0.022 0.000 0.242 763 G HA3 -0.189 3.784 3.960 0.022 0.000 0.242 763 G C -0.192 174.686 174.900 -0.036 0.000 0.989 763 G CA 0.295 45.369 45.100 -0.043 0.000 0.682 763 G HN 0.471 nan 8.290 nan 0.000 0.522 764 F N -1.239 118.875 119.950 0.274 0.000 2.575 764 F HA 0.723 5.263 4.527 0.022 0.000 0.330 764 F C 0.376 176.177 175.800 0.000 0.000 1.056 764 F CA -1.782 56.323 58.000 0.174 0.000 0.964 764 F CB 1.305 40.363 39.000 0.097 0.000 1.258 764 F HN 0.007 nan 8.300 nan 0.000 0.484 765 L N 1.824 123.068 121.223 0.035 0.000 2.407 765 L HA 0.229 4.583 4.340 0.022 0.000 0.282 765 L C 0.947 177.692 176.870 -0.208 0.000 1.110 765 L CA 0.400 54.941 54.840 -0.498 0.000 0.863 765 L CB 0.019 41.752 42.059 -0.544 0.000 1.207 765 L HN 0.678 nan 8.230 nan 0.000 0.454 766 S N 2.535 118.124 115.700 -0.186 0.000 2.501 766 S HA 0.210 4.694 4.470 0.022 0.000 0.220 766 S C 0.606 175.058 174.600 -0.247 0.000 0.997 766 S CA -0.025 58.100 58.200 -0.124 0.000 0.919 766 S CB 0.025 63.205 63.200 -0.032 0.000 0.778 766 S HN 0.668 nan 8.310 nan 0.000 0.523 767 Q N -0.080 119.494 119.800 -0.378 0.000 2.479 767 Q HA 0.588 4.941 4.340 0.022 0.000 0.276 767 Q C -1.936 173.619 176.000 -0.742 0.000 0.989 767 Q CA -0.359 55.055 55.803 -0.648 0.000 0.864 767 Q CB 1.661 29.846 28.738 -0.922 0.000 1.444 767 Q HN 0.263 nan 8.270 nan 0.000 0.388 768 M N 3.058 122.151 119.600 -0.846 0.000 2.326 768 M HA 0.510 5.003 4.480 0.022 0.000 0.292 768 M C -2.008 173.886 176.300 -0.677 0.000 1.081 768 M CA -0.090 54.786 55.300 -0.707 0.000 0.919 768 M CB 1.453 33.641 32.600 -0.686 0.000 1.634 768 M HN 0.769 nan 8.290 nan 0.000 0.451 769 W N 5.743 126.806 121.300 -0.394 0.000 2.632 769 W HA 0.536 5.210 4.660 0.022 0.000 0.328 769 W C -0.864 175.464 176.519 -0.320 0.000 1.044 769 W CA -0.671 56.505 57.345 -0.281 0.000 1.225 769 W CB 1.611 30.947 29.460 -0.207 0.000 1.396 769 W HN 0.524 nan 8.180 nan 0.000 0.499 770 I N 3.669 124.236 120.570 -0.006 0.000 2.428 770 I HA 0.341 4.525 4.170 0.022 0.000 0.279 770 I C 0.846 176.949 176.117 -0.023 0.000 1.040 770 I CA 0.271 61.525 61.300 -0.076 0.000 1.171 770 I CB 0.672 38.609 38.000 -0.104 0.000 1.312 770 I HN 0.736 nan 8.210 nan 0.000 0.470 771 G N 5.895 114.676 108.800 -0.032 0.000 2.552 771 G HA2 -0.294 3.680 3.960 0.022 0.000 0.267 771 G HA3 -0.294 3.680 3.960 0.022 0.000 0.267 771 G C 0.391 175.279 174.900 -0.020 0.000 1.174 771 G CA 0.381 45.461 45.100 -0.034 0.000 0.955 771 G HN 0.706 nan 8.290 nan 0.000 0.546 772 D N 0.836 121.234 120.400 -0.004 0.000 2.395 772 D HA 0.185 4.838 4.640 0.022 0.000 0.213 772 D C 0.213 176.598 176.300 0.142 0.000 1.110 772 D CA 0.181 54.182 54.000 0.001 0.000 0.835 772 D CB 0.245 41.024 40.800 -0.035 0.000 0.965 772 D HN 0.311 nan 8.370 nan 0.000 0.505 773 K N 1.937 122.427 120.400 0.150 0.000 2.211 773 K HA 0.217 4.550 4.320 0.022 0.000 0.275 773 K C 0.488 177.165 176.600 0.127 0.000 1.024 773 K CA -0.504 55.861 56.287 0.130 0.000 0.887 773 K CB 2.060 34.578 32.500 0.029 0.000 1.084 773 K HN 0.261 nan 8.250 nan 0.000 0.463 774 K N 2.067 122.489 120.400 0.037 0.000 2.382 774 K HA 0.080 4.414 4.320 0.022 0.000 0.275 774 K C 0.327 176.797 176.600 -0.217 0.000 1.009 774 K CA -0.137 55.968 56.287 -0.303 0.000 0.970 774 K CB 0.809 33.160 32.500 -0.249 0.000 0.934 774 K HN 0.258 nan 8.250 nan 0.000 0.479 775 Q N 1.654 121.279 119.800 -0.291 0.000 2.350 775 Q HA 0.242 4.595 4.340 0.022 0.000 0.225 775 Q C 0.180 176.119 176.000 -0.101 0.000 0.878 775 Q CA 0.454 56.196 55.803 -0.101 0.000 0.935 775 Q CB 0.342 29.067 28.738 -0.022 0.000 1.099 775 Q HN 0.631 nan 8.270 nan 0.000 0.527 776 L N 0.092 121.181 121.223 -0.223 0.000 2.333 776 L HA 0.422 4.776 4.340 0.022 0.000 0.269 776 L C 0.877 177.619 176.870 -0.213 0.000 1.010 776 L CA -0.440 54.280 54.840 -0.199 0.000 0.818 776 L CB 1.629 43.557 42.059 -0.218 0.000 1.306 776 L HN -0.097 nan 8.230 nan 0.000 0.430 777 L N -0.028 121.060 121.223 -0.225 0.000 2.749 777 L HA 0.267 4.620 4.340 0.022 0.000 0.242 777 L C -0.134 176.619 176.870 -0.195 0.000 1.103 777 L CA 0.560 55.276 54.840 -0.207 0.000 0.906 777 L CB 1.007 42.922 42.059 -0.240 0.000 1.228 777 L HN 0.638 nan 8.230 nan 0.000 0.517 778 T N 0.010 114.425 114.554 -0.232 0.000 2.952 778 T HA 0.384 4.747 4.350 0.022 0.000 0.305 778 T C -2.598 172.022 174.700 -0.134 0.000 1.064 778 T CA -1.077 60.927 62.100 -0.159 0.000 1.008 778 T CB 2.555 71.317 68.868 -0.177 0.000 1.078 778 T HN -0.285 nan 8.240 nan 0.000 0.459 779 P HA 0.172 nan 4.420 nan 0.000 0.269 779 P C -0.697 176.547 177.300 -0.092 0.000 1.217 779 P CA -0.718 62.333 63.100 -0.082 0.000 0.783 779 P CB 0.438 32.118 31.700 -0.032 0.000 0.898 780 L N 3.373 124.571 121.223 -0.042 0.000 2.325 780 L HA 0.271 4.624 4.340 0.022 0.000 0.284 780 L C 0.064 176.853 176.870 -0.135 0.000 1.089 780 L CA 0.602 55.449 54.840 0.011 0.000 0.836 780 L CB -0.583 41.588 42.059 0.187 0.000 1.184 780 L HN 0.294 nan 8.230 nan 0.000 0.444 781 R N 2.732 123.071 120.500 -0.269 0.000 2.837 781 R HA 0.474 4.827 4.340 0.022 0.000 0.271 781 R C -1.012 175.137 176.300 -0.251 0.000 0.993 781 R CA -1.029 54.734 56.100 -0.562 0.000 0.931 781 R CB 1.213 31.030 30.300 -0.806 0.000 1.206 781 R HN 0.528 nan 8.270 nan 0.000 0.474 782 D N 1.207 121.527 120.400 -0.134 0.000 2.399 782 D HA 0.047 4.700 4.640 0.022 0.000 0.241 782 D C -0.480 175.431 176.300 -0.648 0.000 1.133 782 D CA 0.442 54.221 54.000 -0.369 0.000 0.890 782 D CB 0.675 41.196 40.800 -0.465 0.000 1.201 782 D HN 0.201 nan 8.370 nan 0.000 0.432 783 Q N 1.119 120.347 119.800 -0.954 0.000 2.305 783 Q HA 0.339 4.693 4.340 0.022 0.000 0.271 783 Q C -1.230 174.065 176.000 -1.174 0.000 1.046 783 Q CA -0.592 54.710 55.803 -0.835 0.000 0.798 783 Q CB 0.834 29.297 28.738 -0.459 0.000 1.286 783 Q HN 0.495 nan 8.270 nan 0.000 0.435 784 F N 0.455 120.018 119.950 -0.645 0.000 2.746 784 F HA 0.195 4.735 4.527 0.022 0.000 0.320 784 F C 0.529 175.886 175.800 -0.739 0.000 1.097 784 F CA -0.102 57.403 58.000 -0.825 0.000 1.195 784 F CB 1.390 39.566 39.000 -1.373 0.000 1.056 784 F HN 0.416 nan 8.300 nan 0.000 0.562 785 T N -0.790 113.464 114.554 -0.501 0.000 2.907 785 T HA 0.805 5.169 4.350 0.022 0.000 0.290 785 T C -0.534 173.923 174.700 -0.405 0.000 1.066 785 T CA -0.964 60.770 62.100 -0.609 0.000 1.012 785 T CB 2.894 71.332 68.868 -0.717 0.000 1.184 785 T HN 0.251 nan 8.240 nan 0.000 0.522 786 R N -0.039 120.260 120.500 -0.335 0.000 2.771 786 R HA 0.773 5.127 4.340 0.022 0.000 0.274 786 R C -0.805 175.532 176.300 0.062 0.000 0.987 786 R CA -1.233 54.799 56.100 -0.115 0.000 0.908 786 R CB 1.511 31.756 30.300 -0.092 0.000 1.213 786 R HN 0.833 nan 8.270 nan 0.000 0.468 787 A N 3.547 126.399 122.820 0.053 0.000 2.522 787 A HA 0.263 4.596 4.320 0.022 0.000 0.256 787 A C -1.904 175.749 177.584 0.114 0.000 1.086 787 A CA -1.274 50.801 52.037 0.064 0.000 0.763 787 A CB -0.423 18.566 19.000 -0.019 0.000 1.024 787 A HN 0.599 nan 8.150 nan 0.000 0.502 788 P HA 0.041 nan 4.420 nan 0.000 0.262 788 P C -0.316 177.104 177.300 0.199 0.000 1.182 788 P CA 0.563 63.823 63.100 0.267 0.000 0.761 788 P CB 0.365 32.248 31.700 0.304 0.000 0.795 789 L N 2.821 124.136 121.223 0.153 0.000 2.468 789 L HA 0.150 4.503 4.340 0.022 0.000 0.254 789 L C 1.744 178.669 176.870 0.091 0.000 1.171 789 L CA -0.500 54.374 54.840 0.057 0.000 0.809 789 L CB -0.132 41.892 42.059 -0.059 0.000 1.155 789 L HN 0.219 nan 8.230 nan 0.000 0.473 790 D N -0.133 120.282 120.400 0.026 0.000 2.149 790 D HA -0.162 4.491 4.640 0.022 0.000 0.198 790 D C 1.665 177.968 176.300 0.006 0.000 0.990 790 D CA 1.282 55.278 54.000 -0.007 0.000 0.839 790 D CB -0.136 40.637 40.800 -0.044 0.000 0.948 790 D HN 0.427 nan 8.370 nan 0.000 0.460 791 N N 0.728 119.419 118.700 -0.016 0.000 2.309 791 N HA -0.106 4.648 4.740 0.022 0.000 0.182 791 N C 0.993 176.524 175.510 0.035 0.000 1.018 791 N CA 0.784 53.820 53.050 -0.023 0.000 0.876 791 N CB -0.120 38.339 38.487 -0.047 0.000 0.972 791 N HN 0.254 nan 8.380 nan 0.000 0.434 792 D N 0.516 120.963 120.400 0.079 0.000 2.183 792 D HA 0.031 4.684 4.640 0.022 0.000 0.203 792 D C 2.030 178.400 176.300 0.116 0.000 0.969 792 D CA 0.413 54.497 54.000 0.139 0.000 0.842 792 D CB 0.122 41.091 40.800 0.282 0.000 0.957 792 D HN 0.324 nan 8.370 nan 0.000 0.484 793 I N 0.278 120.910 120.570 0.103 0.000 2.400 793 I HA 0.035 4.218 4.170 0.022 0.000 0.248 793 I C 1.882 178.027 176.117 0.047 0.000 1.109 793 I CA 0.714 62.065 61.300 0.084 0.000 1.425 793 I CB -0.394 37.657 38.000 0.085 0.000 1.094 793 I HN 0.069 nan 8.210 nan 0.000 0.425 794 G N 1.362 110.179 108.800 0.028 0.000 2.561 794 G HA2 -0.342 3.632 3.960 0.022 0.000 0.289 794 G HA3 -0.342 3.632 3.960 0.022 0.000 0.289 794 G C 0.647 175.557 174.900 0.016 0.000 1.169 794 G CA 0.846 45.942 45.100 -0.007 0.000 0.980 794 G HN 0.549 nan 8.290 nan 0.000 0.550 795 V N -2.005 117.905 119.914 -0.008 0.000 3.578 795 V HA 0.644 4.778 4.120 0.022 0.000 0.290 795 V C 1.239 177.373 176.094 0.067 0.000 1.376 795 V CA 1.208 63.506 62.300 -0.003 0.000 1.083 795 V CB 0.219 31.974 31.823 -0.113 0.000 0.911 795 V HN 1.542 nan 8.190 nan 0.000 0.433 796 S N 1.482 117.211 115.700 0.049 0.000 2.552 796 S HA 0.239 4.723 4.470 0.022 0.000 0.289 796 S C -0.013 174.622 174.600 0.058 0.000 1.304 796 S CA 0.283 58.506 58.200 0.037 0.000 1.063 796 S CB 0.003 63.217 63.200 0.022 0.000 0.848 796 S HN 0.809 nan 8.310 nan 0.000 0.499 797 E N 1.633 121.859 120.200 0.042 0.000 2.446 797 E HA 0.541 4.904 4.350 0.022 0.000 0.276 797 E C 0.629 177.248 176.600 0.031 0.000 0.969 797 E CA -0.668 55.758 56.400 0.042 0.000 0.800 797 E CB 1.283 31.011 29.700 0.046 0.000 1.341 797 E HN 0.552 nan 8.360 nan 0.000 0.460 798 A N 0.321 123.160 122.820 0.032 0.000 1.877 798 A HA -0.134 4.199 4.320 0.022 0.000 0.216 798 A C 1.950 179.547 177.584 0.022 0.000 1.186 798 A CA 2.150 54.204 52.037 0.027 0.000 0.620 798 A CB -0.751 18.267 19.000 0.030 0.000 0.822 798 A HN 0.570 nan 8.150 nan 0.000 0.443 799 T N -0.419 114.149 114.554 0.023 0.000 2.867 799 T HA 0.016 4.380 4.350 0.022 0.000 0.268 799 T C 0.809 175.516 174.700 0.011 0.000 1.057 799 T CA 0.930 63.040 62.100 0.017 0.000 1.136 799 T CB -0.079 68.800 68.868 0.019 0.000 0.874 799 T HN 0.384 nan 8.240 nan 0.000 0.466 800 R N 0.808 121.315 120.500 0.012 0.000 2.680 800 R HA 0.403 4.757 4.340 0.022 0.000 0.278 800 R C -1.226 175.076 176.300 0.004 0.000 1.582 800 R CA -0.259 55.843 56.100 0.003 0.000 1.177 800 R CB 1.008 31.306 30.300 -0.003 0.000 1.232 800 R HN 0.286 nan 8.270 nan 0.000 0.528 801 I N 1.822 122.393 120.570 0.001 0.000 2.441 801 I HA 0.017 4.201 4.170 0.022 0.000 0.287 801 I C 0.405 176.512 176.117 -0.016 0.000 1.049 801 I CA -0.015 61.284 61.300 -0.002 0.000 1.381 801 I CB 0.741 38.741 38.000 0.000 0.000 1.409 801 I HN 0.313 nan 8.210 nan 0.000 0.523 802 D N 9.591 129.978 120.400 -0.022 0.000 2.467 802 D HA 0.193 4.847 4.640 0.022 0.000 0.220 802 D C -1.468 174.795 176.300 -0.062 0.000 1.103 802 D CA -2.472 51.503 54.000 -0.042 0.000 0.886 802 D CB 1.187 41.962 40.800 -0.042 0.000 1.025 802 D HN 0.238 nan 8.370 nan 0.000 0.514 803 P HA -0.137 nan 4.420 nan 0.000 0.226 803 P C 0.778 177.993 177.300 -0.142 0.000 1.146 803 P CA 0.589 63.638 63.100 -0.086 0.000 0.773 803 P CB 0.462 32.121 31.700 -0.069 0.000 0.772 804 N N 0.266 118.875 118.700 -0.152 0.000 2.395 804 N HA 0.037 4.791 4.740 0.022 0.000 0.175 804 N C 0.579 175.901 175.510 -0.313 0.000 1.029 804 N CA 0.152 53.068 53.050 -0.224 0.000 0.897 804 N CB -0.454 37.929 38.487 -0.173 0.000 0.991 804 N HN -0.044 nan 8.380 nan 0.000 0.441 805 A N -0.369 122.315 122.820 -0.226 0.000 2.520 805 A HA 0.048 4.381 4.320 0.022 0.000 0.235 805 A C 0.711 178.096 177.584 -0.333 0.000 1.065 805 A CA -0.236 51.668 52.037 -0.222 0.000 0.764 805 A CB -0.220 18.724 19.000 -0.093 0.000 1.002 805 A HN 0.542 nan 8.150 nan 0.000 0.502 806 W N 1.590 122.647 121.300 -0.405 0.000 2.318 806 W HA -0.176 4.497 4.660 0.022 0.000 0.313 806 W C 2.258 178.253 176.519 -0.873 0.000 1.221 806 W CA 1.765 58.609 57.345 -0.836 0.000 1.266 806 W CB -0.433 28.393 29.460 -1.058 0.000 1.150 806 W HN 0.552 nan 8.180 nan 0.000 0.496 807 V N 0.862 120.707 119.914 -0.114 0.000 2.392 807 V HA -0.270 3.864 4.120 0.022 0.000 0.249 807 V C 2.127 178.336 176.094 0.192 0.000 1.059 807 V CA 2.125 64.584 62.300 0.266 0.000 1.051 807 V CB -0.347 31.640 31.823 0.273 0.000 0.658 807 V HN 0.092 nan 8.190 nan 0.000 0.455 808 E N -0.178 120.033 120.200 0.019 0.000 2.152 808 E HA -0.139 4.225 4.350 0.022 0.000 0.192 808 E C 2.348 178.930 176.600 -0.031 0.000 0.983 808 E CA 0.917 57.320 56.400 0.005 0.000 0.818 808 E CB -0.276 29.399 29.700 -0.042 0.000 0.758 808 E HN 0.608 nan 8.360 nan 0.000 0.467 809 R N -0.286 120.119 120.500 -0.158 0.000 2.075 809 R HA -0.088 4.265 4.340 0.022 0.000 0.232 809 R C 2.249 178.494 176.300 -0.092 0.000 1.126 809 R CA 1.067 57.042 56.100 -0.208 0.000 0.963 809 R CB -0.110 29.936 30.300 -0.423 0.000 0.858 809 R HN 0.236 nan 8.270 nan 0.000 0.435 810 W N 1.485 122.764 121.300 -0.036 0.000 2.379 810 W HA -0.069 4.605 4.660 0.023 0.000 0.307 810 W C 1.915 178.426 176.519 -0.014 0.000 1.200 810 W CA 0.742 57.987 57.345 -0.168 0.000 1.297 810 W CB -0.634 28.870 29.460 0.072 0.000 1.140 810 W HN 0.090 nan 8.180 nan 0.000 0.507 811 K N 0.206 120.851 120.400 0.407 0.000 2.002 811 K HA -0.111 4.223 4.320 0.022 0.000 0.209 811 K C 2.285 178.957 176.600 0.120 0.000 1.048 811 K CA 1.886 58.359 56.287 0.309 0.000 0.930 811 K CB -0.662 31.963 32.500 0.208 0.000 0.714 811 K HN -0.026 nan 8.250 nan 0.000 0.438 812 A N 1.236 124.098 122.820 0.070 0.000 1.972 812 A HA -0.106 4.227 4.320 0.022 0.000 0.219 812 A C 2.232 179.828 177.584 0.020 0.000 1.169 812 A CA 1.821 53.883 52.037 0.041 0.000 0.635 812 A CB -0.585 18.425 19.000 0.016 0.000 0.810 812 A HN 0.356 nan 8.150 nan 0.000 0.446 813 A N -1.997 120.808 122.820 -0.026 0.000 2.167 813 A HA 0.387 4.721 4.320 0.022 0.000 0.214 813 A C 1.882 179.420 177.584 -0.078 0.000 1.151 813 A CA 1.300 53.325 52.037 -0.021 0.000 0.735 813 A CB -0.829 18.104 19.000 -0.112 0.000 0.802 813 A HN 1.882 nan 8.150 nan 0.000 0.467 814 G N -1.759 106.879 108.800 -0.271 0.000 2.157 814 G HA2 -0.306 3.667 3.960 0.022 0.000 0.248 814 G HA3 -0.306 3.667 3.960 0.022 0.000 0.248 814 G C 0.641 175.519 174.900 -0.037 0.000 0.979 814 G CA 0.669 45.369 45.100 -0.668 0.000 0.650 814 G HN 0.727 nan 8.290 nan 0.000 0.529 815 H N -1.306 117.743 119.070 -0.035 0.000 2.390 815 H HA -0.131 4.439 4.556 0.022 0.000 0.298 815 H C 2.075 177.362 175.328 -0.069 0.000 1.106 815 H CA 1.705 57.745 56.048 -0.014 0.000 1.297 815 H CB 0.059 29.752 29.762 -0.115 0.000 1.375 815 H HN 0.594 nan 8.280 nan 0.000 0.509 816 Y N 0.057 120.475 120.300 0.197 0.000 2.546 816 Y HA -0.041 4.522 4.550 0.022 0.000 0.287 816 Y C 1.764 177.739 175.900 0.125 0.000 1.158 816 Y CA 0.282 58.459 58.100 0.128 0.000 1.307 816 Y CB 0.495 39.017 38.460 0.103 0.000 1.036 816 Y HN 0.193 nan 8.280 nan 0.000 0.532 817 Q N -0.569 119.380 119.800 0.248 0.000 2.245 817 Q HA 0.347 4.700 4.340 0.022 0.000 0.236 817 Q C 0.772 176.941 176.000 0.282 0.000 0.842 817 Q CA 0.166 56.111 55.803 0.237 0.000 0.945 817 Q CB 0.242 29.110 28.738 0.217 0.000 1.122 817 Q HN 0.239 nan 8.270 nan 0.000 0.506 818 A N 2.026 125.029 122.820 0.306 0.000 2.567 818 A HA 0.049 4.383 4.320 0.022 0.000 0.240 818 A C -0.054 177.808 177.584 0.464 0.000 1.053 818 A CA 0.496 52.779 52.037 0.409 0.000 0.755 818 A CB 0.081 19.373 19.000 0.486 0.000 0.978 818 A HN 0.110 nan 8.150 nan 0.000 0.507 819 E N 1.065 121.459 120.200 0.324 0.000 2.183 819 E HA 0.506 4.870 4.350 0.022 0.000 0.271 819 E C -0.206 176.351 176.600 -0.073 0.000 0.919 819 E CA -0.694 55.818 56.400 0.187 0.000 0.781 819 E CB 1.884 31.664 29.700 0.134 0.000 1.140 819 E HN 0.794 nan 8.360 nan 0.000 0.402 820 A N 2.124 124.792 122.820 -0.252 0.000 2.454 820 A HA 0.492 4.825 4.320 0.022 0.000 0.260 820 A C -0.206 177.238 177.584 -0.234 0.000 1.106 820 A CA -0.170 51.466 52.037 -0.669 0.000 0.780 820 A CB 0.244 18.977 19.000 -0.445 0.000 1.044 820 A HN 0.581 nan 8.150 nan 0.000 0.498 821 A N 3.017 125.694 122.820 -0.239 0.000 2.287 821 A HA 0.572 4.905 4.320 0.022 0.000 0.317 821 A C -0.359 177.147 177.584 -0.129 0.000 1.220 821 A CA -0.570 51.404 52.037 -0.106 0.000 0.835 821 A CB 0.421 19.379 19.000 -0.070 0.000 1.180 821 A HN 1.240 nan 8.150 nan 0.000 0.500 822 L N 3.073 124.209 121.223 -0.145 0.000 2.410 822 L HA 0.295 4.648 4.340 0.022 0.000 0.273 822 L C 0.414 177.152 176.870 -0.221 0.000 1.152 822 L CA 0.467 55.117 54.840 -0.317 0.000 0.855 822 L CB 0.292 42.189 42.059 -0.270 0.000 1.129 822 L HN 0.772 nan 8.230 nan 0.000 0.463 823 L N 3.199 124.272 121.223 -0.250 0.000 2.577 823 L HA 0.344 4.697 4.340 0.022 0.000 0.225 823 L C 0.393 177.197 176.870 -0.110 0.000 1.053 823 L CA 0.014 54.778 54.840 -0.127 0.000 0.866 823 L CB 0.109 42.124 42.059 -0.073 0.000 1.132 823 L HN 0.727 nan 8.230 nan 0.000 0.486 824 Q N -0.378 119.329 119.800 -0.156 0.000 2.426 824 Q HA 0.338 4.692 4.340 0.022 0.000 0.278 824 Q C -2.068 173.879 176.000 -0.090 0.000 1.007 824 Q CA -0.510 55.240 55.803 -0.088 0.000 0.850 824 Q CB 3.146 31.858 28.738 -0.043 0.000 1.427 824 Q HN 0.054 nan 8.270 nan 0.000 0.391 825 C N 3.133 122.428 119.300 -0.008 0.000 3.102 825 C HA 0.643 5.117 4.460 0.022 0.000 0.363 825 C C -0.859 174.236 174.990 0.175 0.000 1.048 825 C CA 0.365 59.428 59.018 0.075 0.000 1.330 825 C CB 0.307 28.102 27.740 0.092 0.000 1.771 825 C HN 0.811 nan 8.230 nan 0.000 0.526 826 T N 2.129 116.701 114.554 0.030 0.000 2.924 826 T HA 0.908 5.271 4.350 0.022 0.000 0.291 826 T C -0.415 174.001 174.700 -0.472 0.000 1.045 826 T CA -0.321 61.717 62.100 -0.104 0.000 1.015 826 T CB 2.004 70.821 68.868 -0.084 0.000 1.103 826 T HN 1.599 nan 8.240 nan 0.000 0.496 827 A N 1.644 124.019 122.820 -0.743 0.000 2.374 827 A HA 0.731 5.064 4.320 0.022 0.000 0.305 827 A C -1.171 176.147 177.584 -0.443 0.000 1.053 827 A CA -0.752 50.771 52.037 -0.856 0.000 0.726 827 A CB 1.162 19.204 19.000 -1.597 0.000 1.229 827 A HN 0.857 nan 8.150 nan 0.000 0.431 828 D N 0.956 121.163 120.400 -0.321 0.000 2.671 828 D HA 0.521 5.175 4.640 0.022 0.000 0.232 828 D C -0.901 175.294 176.300 -0.176 0.000 1.114 828 D CA 0.013 53.892 54.000 -0.202 0.000 0.858 828 D CB 2.350 43.062 40.800 -0.147 0.000 1.544 828 D HN 0.376 nan 8.370 nan 0.000 0.471 829 T N 1.694 116.168 114.554 -0.134 0.000 2.771 829 T HA 0.485 4.848 4.350 0.022 0.000 0.281 829 T C 0.415 175.066 174.700 -0.082 0.000 0.982 829 T CA -0.450 61.583 62.100 -0.112 0.000 0.978 829 T CB 0.734 69.540 68.868 -0.104 0.000 0.930 829 T HN 0.078 nan 8.240 nan 0.000 0.447 830 L N 1.629 122.808 121.223 -0.073 0.000 2.376 830 L HA 0.582 4.935 4.340 0.022 0.000 0.267 830 L C 1.954 178.801 176.870 -0.039 0.000 1.035 830 L CA -1.161 53.647 54.840 -0.052 0.000 0.800 830 L CB 0.478 42.507 42.059 -0.050 0.000 1.290 830 L HN 0.706 nan 8.230 nan 0.000 0.462 831 A N 0.860 123.663 122.820 -0.028 0.000 1.884 831 A HA -0.214 4.119 4.320 0.022 0.000 0.219 831 A C 1.195 178.771 177.584 -0.014 0.000 1.197 831 A CA 2.338 54.364 52.037 -0.018 0.000 0.637 831 A CB -0.538 18.453 19.000 -0.014 0.000 0.827 831 A HN 0.921 nan 8.150 nan 0.000 0.450 832 D N -2.188 118.203 120.400 -0.015 0.000 2.623 832 D HA 0.564 5.217 4.640 0.022 0.000 0.252 832 D C -0.066 176.225 176.300 -0.015 0.000 1.294 832 D CA 0.668 54.664 54.000 -0.007 0.000 0.824 832 D CB -0.076 40.723 40.800 -0.002 0.000 1.070 832 D HN 0.574 nan 8.370 nan 0.000 0.487 833 A N -0.654 122.146 122.820 -0.033 0.000 2.540 833 A HA 0.575 4.909 4.320 0.022 0.000 0.291 833 A C -1.826 175.709 177.584 -0.081 0.000 1.083 833 A CA -0.696 51.308 52.037 -0.054 0.000 0.650 833 A CB 1.392 20.358 19.000 -0.056 0.000 1.292 833 A HN 0.016 nan 8.150 nan 0.000 0.435 834 V N 0.596 120.442 119.914 -0.112 0.000 2.495 834 V HA 0.651 4.784 4.120 0.022 0.000 0.298 834 V C -0.972 175.018 176.094 -0.174 0.000 1.031 834 V CA -0.444 61.766 62.300 -0.149 0.000 0.871 834 V CB 1.379 33.109 31.823 -0.156 0.000 0.988 834 V HN 0.891 nan 8.190 nan 0.000 0.432 835 L N 6.409 127.519 121.223 -0.190 0.000 2.325 835 L HA 0.647 5.001 4.340 0.022 0.000 0.281 835 L C -0.855 175.860 176.870 -0.258 0.000 1.004 835 L CA -0.015 54.718 54.840 -0.178 0.000 0.823 835 L CB 1.284 43.269 42.059 -0.124 0.000 1.236 835 L HN 0.416 nan 8.230 nan 0.000 0.415 836 I N 4.312 124.721 120.570 -0.268 0.000 2.339 836 I HA 0.394 4.578 4.170 0.022 0.000 0.290 836 I C -0.082 175.983 176.117 -0.086 0.000 0.994 836 I CA -0.208 60.879 61.300 -0.355 0.000 1.191 836 I CB 1.462 38.995 38.000 -0.779 0.000 1.343 836 I HN 0.569 nan 8.210 nan 0.000 0.458 837 T N 5.053 119.556 114.554 -0.085 0.000 2.779 837 T HA 0.626 4.989 4.350 0.022 0.000 0.280 837 T C 0.253 174.986 174.700 0.056 0.000 0.987 837 T CA -0.529 61.580 62.100 0.014 0.000 0.966 837 T CB 1.663 70.518 68.868 -0.022 0.000 0.933 837 T HN 0.764 nan 8.240 nan 0.000 0.442 838 T N -0.548 114.087 114.554 0.135 0.000 2.906 838 T HA 0.862 5.226 4.350 0.022 0.000 0.295 838 T C -1.202 173.558 174.700 0.100 0.000 1.075 838 T CA -1.102 61.065 62.100 0.112 0.000 1.005 838 T CB 2.030 71.050 68.868 0.253 0.000 1.136 838 T HN 0.765 nan 8.240 nan 0.000 0.498 839 A N 1.605 124.401 122.820 -0.042 0.000 2.429 839 A HA 0.726 5.060 4.320 0.022 0.000 0.289 839 A C -1.397 176.084 177.584 -0.172 0.000 1.043 839 A CA -0.757 51.291 52.037 0.018 0.000 0.722 839 A CB 0.727 19.738 19.000 0.017 0.000 1.243 839 A HN 0.988 nan 8.150 nan 0.000 0.415 840 H N 0.350 119.478 119.070 0.096 0.000 2.747 840 H HA 0.809 5.378 4.556 0.022 0.000 0.371 840 H C -0.003 175.354 175.328 0.048 0.000 1.161 840 H CA 0.245 56.259 56.048 -0.056 0.000 1.167 840 H CB 2.159 31.767 29.762 -0.257 0.000 1.732 840 H HN 0.976 nan 8.280 nan 0.000 0.544 841 A N 1.931 124.762 122.820 0.017 0.000 2.343 841 A HA 0.374 4.707 4.320 0.022 0.000 0.308 841 A C -1.410 176.198 177.584 0.041 0.000 1.092 841 A CA -0.709 51.416 52.037 0.147 0.000 0.751 841 A CB 1.067 20.120 19.000 0.088 0.000 1.203 841 A HN 0.590 nan 8.150 nan 0.000 0.452 842 W N 2.389 123.803 121.300 0.190 0.000 2.314 842 W HA 0.410 5.083 4.660 0.023 0.000 0.310 842 W C -0.300 176.247 176.519 0.048 0.000 1.075 842 W CA -0.096 57.356 57.345 0.179 0.000 1.253 842 W CB 1.495 31.132 29.460 0.295 0.000 1.238 842 W HN 0.744 nan 8.180 nan 0.000 0.440 843 Q N 1.465 121.395 119.800 0.218 0.000 2.433 843 Q HA 0.426 4.779 4.340 0.022 0.000 0.279 843 Q C -1.322 174.807 176.000 0.215 0.000 1.105 843 Q CA -1.015 54.878 55.803 0.151 0.000 0.815 843 Q CB 3.389 32.179 28.738 0.087 0.000 1.403 843 Q HN 0.398 nan 8.270 nan 0.000 0.435 844 H N 0.830 119.938 119.070 0.064 0.000 3.083 844 H HA 0.116 4.685 4.556 0.022 0.000 0.339 844 H C -1.053 174.306 175.328 0.052 0.000 1.020 844 H CA -0.093 56.000 56.048 0.075 0.000 1.360 844 H CB 0.847 30.665 29.762 0.094 0.000 1.811 844 H HN 0.554 nan 8.280 nan 0.000 0.493 845 Q N 3.658 123.232 119.800 -0.377 0.000 2.475 845 Q HA -0.175 4.178 4.340 0.022 0.000 0.280 845 Q C 0.872 176.823 176.000 -0.081 0.000 1.234 845 Q CA 1.493 57.150 55.803 -0.243 0.000 0.873 845 Q CB -1.740 26.853 28.738 -0.242 0.000 1.256 845 Q HN 1.376 nan 8.270 nan 0.000 0.475 846 G N -0.158 108.616 108.800 -0.043 0.000 2.160 846 G HA2 -0.348 3.625 3.960 0.022 0.000 0.251 846 G HA3 -0.348 3.625 3.960 0.022 0.000 0.251 846 G C -0.076 174.829 174.900 0.008 0.000 1.008 846 G CA 0.850 45.944 45.100 -0.009 0.000 0.724 846 G HN 0.358 nan 8.290 nan 0.000 0.514 847 K N 0.976 121.390 120.400 0.023 0.000 2.358 847 K HA 0.632 4.965 4.320 0.022 0.000 0.260 847 K C 0.155 176.773 176.600 0.031 0.000 0.956 847 K CA -0.438 55.867 56.287 0.032 0.000 0.834 847 K CB 0.938 33.466 32.500 0.048 0.000 1.102 847 K HN -0.023 nan 8.250 nan 0.000 0.431 848 T N 6.349 120.913 114.554 0.016 0.000 2.738 848 T HA 0.182 4.546 4.350 0.022 0.000 0.293 848 T C 1.138 175.793 174.700 -0.076 0.000 0.913 848 T CA -0.249 61.857 62.100 0.011 0.000 1.103 848 T CB 0.186 69.075 68.868 0.036 0.000 0.880 848 T HN 0.534 nan 8.240 nan 0.000 0.526 849 L N 2.429 123.526 121.223 -0.210 0.000 2.130 849 L HA 0.299 4.652 4.340 0.022 0.000 0.200 849 L C -0.055 176.331 176.870 -0.807 0.000 1.075 849 L CA 0.901 55.350 54.840 -0.652 0.000 0.768 849 L CB -0.003 41.362 42.059 -1.158 0.000 0.933 849 L HN 0.484 nan 8.230 nan 0.000 0.451 850 F N -1.082 118.829 119.950 -0.065 0.000 2.603 850 F HA 0.601 5.141 4.527 0.022 0.000 0.317 850 F C -0.403 175.507 175.800 0.183 0.000 1.066 850 F CA -1.016 56.887 58.000 -0.162 0.000 0.941 850 F CB 1.627 40.097 39.000 -0.883 0.000 1.291 850 F HN -0.301 nan 8.300 nan 0.000 0.472 851 I N 1.376 122.186 120.570 0.400 0.000 2.512 851 I HA 0.327 4.510 4.170 0.022 0.000 0.287 851 I C -0.930 175.468 176.117 0.468 0.000 1.069 851 I CA -0.477 61.085 61.300 0.437 0.000 1.056 851 I CB 2.154 40.313 38.000 0.265 0.000 1.229 851 I HN 0.566 nan 8.210 nan 0.000 0.429 852 S N 7.003 123.092 115.700 0.649 0.000 2.449 852 S HA 0.590 5.074 4.470 0.022 0.000 0.310 852 S C -0.657 174.202 174.600 0.432 0.000 1.096 852 S CA -0.634 57.907 58.200 0.569 0.000 1.095 852 S CB 0.810 64.473 63.200 0.771 0.000 1.007 852 S HN 0.558 nan 8.310 nan 0.000 0.474 853 R N 3.504 124.178 120.500 0.290 0.000 2.437 853 R HA 0.544 4.898 4.340 0.022 0.000 0.310 853 R C -0.770 175.619 176.300 0.149 0.000 0.955 853 R CA -0.756 55.469 56.100 0.208 0.000 0.851 853 R CB 1.847 32.239 30.300 0.153 0.000 1.161 853 R HN 0.588 nan 8.270 nan 0.000 0.446 854 K N 0.780 121.264 120.400 0.139 0.000 2.444 854 K HA 0.504 4.837 4.320 0.022 0.000 0.252 854 K C -0.784 175.817 176.600 0.001 0.000 0.993 854 K CA -0.964 55.331 56.287 0.014 0.000 0.847 854 K CB 2.509 34.986 32.500 -0.038 0.000 1.340 854 K HN 0.613 nan 8.250 nan 0.000 0.446 855 T N -1.402 113.071 114.554 -0.135 0.000 2.916 855 T HA 0.510 4.873 4.350 0.022 0.000 0.298 855 T C -1.350 173.240 174.700 -0.183 0.000 1.031 855 T CA -0.763 61.302 62.100 -0.058 0.000 0.993 855 T CB 0.413 69.263 68.868 -0.031 0.000 1.045 855 T HN 0.397 nan 8.240 nan 0.000 0.454 856 Y N 1.238 121.508 120.300 -0.049 0.000 2.328 856 Y HA 0.643 5.206 4.550 0.022 0.000 0.336 856 Y C 0.540 176.367 175.900 -0.121 0.000 0.960 856 Y CA -1.109 56.970 58.100 -0.035 0.000 1.134 856 Y CB 1.835 40.294 38.460 -0.001 0.000 1.166 856 Y HN 0.664 nan 8.280 nan 0.000 0.464 857 R N 4.590 125.105 120.500 0.025 0.000 2.337 857 R HA 0.627 4.980 4.340 0.022 0.000 0.319 857 R C -1.657 174.587 176.300 -0.092 0.000 0.954 857 R CA -0.383 55.689 56.100 -0.047 0.000 0.840 857 R CB 0.587 30.868 30.300 -0.031 0.000 1.164 857 R HN 0.779 nan 8.270 nan 0.000 0.472 858 I N 4.957 125.418 120.570 -0.181 0.000 2.330 858 I HA 0.226 4.409 4.170 0.022 0.000 0.289 858 I C -0.338 175.674 176.117 -0.176 0.000 1.001 858 I CA -0.784 60.341 61.300 -0.291 0.000 1.193 858 I CB 1.574 39.209 38.000 -0.608 0.000 1.345 858 I HN 0.689 nan 8.210 nan 0.000 0.461 859 D N 3.967 124.304 120.400 -0.105 0.000 2.569 859 D HA 0.309 4.963 4.640 0.022 0.000 0.266 859 D C 1.322 177.623 176.300 0.003 0.000 1.164 859 D CA -0.685 53.292 54.000 -0.038 0.000 1.071 859 D CB 0.690 41.486 40.800 -0.008 0.000 1.183 859 D HN 0.449 nan 8.370 nan 0.000 0.613 860 G N -1.181 107.639 108.800 0.034 0.000 2.498 860 G HA2 -0.220 3.753 3.960 0.022 0.000 0.219 860 G HA3 -0.220 3.753 3.960 0.022 0.000 0.219 860 G C 1.287 176.249 174.900 0.104 0.000 1.119 860 G CA 1.086 46.231 45.100 0.074 0.000 0.766 860 G HN 0.537 nan 8.290 nan 0.000 0.552 861 S N -0.754 115.001 115.700 0.092 0.000 2.522 861 S HA 0.325 4.808 4.470 0.022 0.000 0.227 861 S C 1.953 176.624 174.600 0.118 0.000 0.986 861 S CA 1.044 59.308 58.200 0.107 0.000 0.929 861 S CB -0.121 63.135 63.200 0.093 0.000 0.769 861 S HN 1.501 nan 8.310 nan 0.000 0.529 862 G N 0.393 109.266 108.800 0.122 0.000 2.175 862 G HA2 -0.224 3.749 3.960 0.022 0.000 0.244 862 G HA3 -0.224 3.749 3.960 0.022 0.000 0.244 862 G C -0.193 174.830 174.900 0.204 0.000 0.982 862 G CA 0.078 45.306 45.100 0.213 0.000 0.641 862 G HN 0.623 nan 8.290 nan 0.000 0.527 863 Q N -0.247 119.619 119.800 0.111 0.000 2.259 863 Q HA 0.615 4.969 4.340 0.022 0.000 0.249 863 Q C 0.213 176.235 176.000 0.036 0.000 0.914 863 Q CA -0.202 55.672 55.803 0.118 0.000 0.904 863 Q CB 1.533 30.337 28.738 0.111 0.000 1.213 863 Q HN 0.449 nan 8.270 nan 0.000 0.428 864 M N 2.096 121.751 119.600 0.090 0.000 2.066 864 M HA 0.456 4.950 4.480 0.022 0.000 0.340 864 M C -1.224 175.160 176.300 0.139 0.000 1.053 864 M CA -0.445 54.876 55.300 0.036 0.000 0.983 864 M CB 0.851 33.480 32.600 0.048 0.000 1.520 864 M HN 0.701 nan 8.290 nan 0.000 0.428 865 A N 7.163 130.031 122.820 0.079 0.000 2.269 865 A HA 0.607 4.940 4.320 0.022 0.000 0.302 865 A C -0.666 176.943 177.584 0.042 0.000 1.266 865 A CA -0.542 51.543 52.037 0.079 0.000 0.894 865 A CB -0.075 18.954 19.000 0.049 0.000 1.147 865 A HN 0.922 nan 8.150 nan 0.000 0.537 866 I N 2.737 123.325 120.570 0.029 0.000 2.339 866 I HA 0.283 4.466 4.170 0.022 0.000 0.290 866 I C -0.102 175.912 176.117 -0.171 0.000 0.994 866 I CA -0.153 61.069 61.300 -0.129 0.000 1.191 866 I CB 1.948 39.898 38.000 -0.083 0.000 1.343 866 I HN 0.489 nan 8.210 nan 0.000 0.458 867 T N 5.914 120.334 114.554 -0.223 0.000 2.797 867 T HA 0.541 4.905 4.350 0.022 0.000 0.279 867 T C -0.274 174.254 174.700 -0.288 0.000 0.991 867 T CA -0.457 61.528 62.100 -0.191 0.000 0.979 867 T CB 1.841 70.695 68.868 -0.023 0.000 0.943 867 T HN 0.206 nan 8.240 nan 0.000 0.444 868 V N 3.795 123.428 119.914 -0.469 0.000 2.531 868 V HA 0.466 4.599 4.120 0.022 0.000 0.301 868 V C -0.808 175.169 176.094 -0.196 0.000 1.034 868 V CA -0.921 61.115 62.300 -0.440 0.000 0.865 868 V CB 2.019 33.267 31.823 -0.958 0.000 0.995 868 V HN 0.851 nan 8.190 nan 0.000 0.424 869 D N 3.541 123.977 120.400 0.059 0.000 2.549 869 D HA 0.522 5.175 4.640 0.022 0.000 0.251 869 D C -0.934 175.506 176.300 0.233 0.000 1.153 869 D CA -0.123 54.000 54.000 0.205 0.000 0.861 869 D CB 2.771 43.700 40.800 0.215 0.000 1.207 869 D HN 0.253 nan 8.370 nan 0.000 0.543 870 V N 2.233 122.321 119.914 0.291 0.000 2.581 870 V HA 0.313 4.446 4.120 0.022 0.000 0.303 870 V C 0.111 176.361 176.094 0.261 0.000 1.041 870 V CA -0.695 61.790 62.300 0.308 0.000 0.907 870 V CB 2.453 34.498 31.823 0.371 0.000 0.994 870 V HN 0.364 nan 8.190 nan 0.000 0.442 871 E N 2.368 122.709 120.200 0.235 0.000 2.187 871 E HA 0.618 4.981 4.350 0.022 0.000 0.268 871 E C -1.564 175.161 176.600 0.209 0.000 0.896 871 E CA -0.564 55.949 56.400 0.189 0.000 0.766 871 E CB 2.522 32.315 29.700 0.156 0.000 1.142 871 E HN 0.416 nan 8.360 nan 0.000 0.408 872 V N 2.308 122.347 119.914 0.208 0.000 2.407 872 V HA 0.350 4.483 4.120 0.022 0.000 0.291 872 V C 0.114 176.303 176.094 0.160 0.000 1.018 872 V CA -0.948 61.498 62.300 0.243 0.000 0.842 872 V CB 1.401 33.413 31.823 0.315 0.000 0.996 872 V HN 0.843 nan 8.190 nan 0.000 0.426 873 A N 3.671 126.538 122.820 0.080 0.000 2.584 873 A HA 0.218 4.551 4.320 0.022 0.000 0.239 873 A C 1.658 179.307 177.584 0.107 0.000 1.043 873 A CA 0.693 52.765 52.037 0.059 0.000 0.756 873 A CB 0.195 19.193 19.000 -0.003 0.000 0.963 873 A HN 1.374 nan 8.150 nan 0.000 0.511 874 S N 1.339 117.100 115.700 0.102 0.000 2.419 874 S HA -0.158 4.325 4.470 0.022 0.000 0.233 874 S C 0.987 175.656 174.600 0.114 0.000 1.016 874 S CA 1.285 59.562 58.200 0.128 0.000 0.974 874 S CB -0.247 63.010 63.200 0.095 0.000 0.786 874 S HN 0.844 nan 8.310 nan 0.000 0.492 875 D N 0.379 120.822 120.400 0.071 0.000 2.328 875 D HA 0.085 4.739 4.640 0.022 0.000 0.221 875 D C 0.419 176.739 176.300 0.034 0.000 1.072 875 D CA 0.041 54.066 54.000 0.041 0.000 0.850 875 D CB -0.226 40.589 40.800 0.025 0.000 0.922 875 D HN 0.316 nan 8.370 nan 0.000 0.516 876 T N 1.946 116.543 114.554 0.072 0.000 2.907 876 T HA 0.356 4.719 4.350 0.022 0.000 0.284 876 T C -2.586 172.195 174.700 0.134 0.000 1.004 876 T CA -1.844 60.320 62.100 0.106 0.000 1.063 876 T CB 1.564 70.514 68.868 0.137 0.000 0.992 876 T HN -0.091 nan 8.240 nan 0.000 0.483 877 P HA 0.076 nan 4.420 nan 0.000 0.266 877 P C -0.516 177.056 177.300 0.453 0.000 1.195 877 P CA -0.233 62.924 63.100 0.095 0.000 0.768 877 P CB 0.256 31.967 31.700 0.018 0.000 0.838 878 H N 3.148 122.573 119.070 0.592 0.000 3.070 878 H HA 0.056 4.626 4.556 0.022 0.000 0.313 878 H C -1.635 174.080 175.328 0.645 0.000 0.997 878 H CA -1.487 54.877 56.048 0.527 0.000 1.438 878 H CB -0.857 29.154 29.762 0.416 0.000 1.455 878 H HN 0.384 nan 8.280 nan 0.000 0.575 879 P HA 0.021 nan 4.420 nan 0.000 0.269 879 P C 0.361 177.590 177.300 -0.118 0.000 1.209 879 P CA -0.176 63.007 63.100 0.139 0.000 0.776 879 P CB 0.812 32.418 31.700 -0.155 0.000 0.876 880 A N 3.760 126.244 122.820 -0.561 0.000 2.015 880 A HA -0.098 4.235 4.320 0.022 0.000 0.219 880 A C 1.102 178.297 177.584 -0.647 0.000 1.163 880 A CA 1.273 52.925 52.037 -0.641 0.000 0.646 880 A CB -0.508 17.855 19.000 -1.062 0.000 0.806 880 A HN 0.771 nan 8.150 nan 0.000 0.448 881 R N -3.081 117.082 120.500 -0.562 0.000 2.728 881 R HA 0.731 5.085 4.340 0.022 0.000 0.274 881 R C -1.645 174.419 176.300 -0.393 0.000 1.030 881 R CA -0.812 54.983 56.100 -0.509 0.000 0.876 881 R CB 0.748 30.729 30.300 -0.532 0.000 1.259 881 R HN -0.010 nan 8.270 nan 0.000 0.468 882 I N 0.940 121.308 120.570 -0.337 0.000 2.560 882 I HA 0.617 4.800 4.170 0.022 0.000 0.278 882 I C -0.536 175.349 176.117 -0.386 0.000 1.089 882 I CA -0.357 60.764 61.300 -0.299 0.000 1.086 882 I CB 1.816 39.713 38.000 -0.173 0.000 1.202 882 I HN 0.971 nan 8.210 nan 0.000 0.471 883 G N 5.654 114.172 108.800 -0.471 0.000 2.731 883 G HA2 0.771 4.744 3.960 0.022 0.000 0.309 883 G HA3 0.771 4.744 3.960 0.022 0.000 0.309 883 G C -1.660 173.075 174.900 -0.276 0.000 1.273 883 G CA -0.567 44.297 45.100 -0.393 0.000 0.798 883 G HN 0.244 nan 8.290 nan 0.000 0.509 884 L N 0.888 121.999 121.223 -0.187 0.000 2.333 884 L HA 0.657 5.011 4.340 0.022 0.000 0.263 884 L C -0.723 176.039 176.870 -0.180 0.000 1.014 884 L CA -1.109 53.647 54.840 -0.141 0.000 0.820 884 L CB 2.452 44.508 42.059 -0.006 0.000 1.352 884 L HN 0.790 nan 8.230 nan 0.000 0.421 885 N N 0.726 119.345 118.700 -0.135 0.000 2.484 885 N HA 0.662 5.415 4.740 0.022 0.000 0.269 885 N C -1.403 174.101 175.510 -0.009 0.000 1.237 885 N CA -0.477 52.523 53.050 -0.084 0.000 0.838 885 N CB 2.505 40.956 38.487 -0.059 0.000 1.593 885 N HN 0.859 nan 8.380 nan 0.000 0.485 886 C N -0.643 118.671 119.300 0.024 0.000 3.303 886 C HA 0.550 5.024 4.460 0.022 0.000 0.340 886 C C -1.125 173.704 174.990 -0.269 0.000 1.274 886 C CA -0.829 58.158 59.018 -0.052 0.000 1.234 886 C CB 1.015 28.738 27.740 -0.029 0.000 1.532 886 C HN 0.853 nan 8.230 nan 0.000 0.483 887 Q N 1.545 120.963 119.800 -0.637 0.000 2.368 887 Q HA 0.634 4.987 4.340 0.022 0.000 0.256 887 Q C -0.995 174.705 176.000 -0.499 0.000 0.980 887 Q CA -0.433 54.735 55.803 -1.058 0.000 0.887 887 Q CB 0.790 28.507 28.738 -1.701 0.000 1.221 887 Q HN 0.778 nan 8.270 nan 0.000 0.458 888 L N 2.978 124.011 121.223 -0.317 0.000 2.380 888 L HA 0.218 4.572 4.340 0.022 0.000 0.273 888 L C 1.212 178.016 176.870 -0.111 0.000 1.138 888 L CA -0.197 54.586 54.840 -0.095 0.000 0.832 888 L CB 0.849 42.960 42.059 0.087 0.000 1.124 888 L HN 0.831 nan 8.230 nan 0.000 0.454 889 A N 2.616 125.397 122.820 -0.064 0.000 2.015 889 A HA -0.085 4.248 4.320 0.022 0.000 0.219 889 A C 1.080 178.649 177.584 -0.025 0.000 1.163 889 A CA 0.876 52.870 52.037 -0.072 0.000 0.646 889 A CB -0.146 18.809 19.000 -0.075 0.000 0.806 889 A HN 0.807 nan 8.150 nan 0.000 0.448 890 Q N -0.278 119.543 119.800 0.035 0.000 2.212 890 Q HA 0.535 4.888 4.340 0.022 0.000 0.238 890 Q C -1.669 174.374 176.000 0.071 0.000 0.955 890 Q CA -0.389 55.432 55.803 0.029 0.000 0.906 890 Q CB 1.480 30.225 28.738 0.011 0.000 1.215 890 Q HN 0.137 nan 8.270 nan 0.000 0.478 891 V N 1.904 121.827 119.914 0.017 0.000 2.443 891 V HA 0.618 4.751 4.120 0.022 0.000 0.293 891 V C -0.637 175.424 176.094 -0.055 0.000 1.021 891 V CA -0.609 61.729 62.300 0.063 0.000 0.848 891 V CB 1.092 32.936 31.823 0.035 0.000 0.998 891 V HN 0.850 nan 8.190 nan 0.000 0.424 892 A N 3.191 125.909 122.820 -0.169 0.000 2.311 892 A HA 0.723 5.056 4.320 0.022 0.000 0.334 892 A C 0.697 178.273 177.584 -0.013 0.000 1.139 892 A CA -0.472 51.393 52.037 -0.286 0.000 0.830 892 A CB 1.066 19.595 19.000 -0.784 0.000 1.234 892 A HN 0.830 nan 8.150 nan 0.000 0.483 893 E N 0.026 120.219 120.200 -0.011 0.000 2.170 893 E HA -0.016 4.347 4.350 0.022 0.000 0.191 893 E C 0.090 176.754 176.600 0.107 0.000 0.981 893 E CA 0.599 57.030 56.400 0.051 0.000 0.830 893 E CB 0.159 29.872 29.700 0.021 0.000 0.775 893 E HN 0.429 nan 8.360 nan 0.000 0.470 894 R N 0.433 121.003 120.500 0.117 0.000 2.854 894 R HA 0.540 4.893 4.340 0.022 0.000 0.271 894 R C -0.706 175.769 176.300 0.292 0.000 0.996 894 R CA -0.859 55.345 56.100 0.172 0.000 0.961 894 R CB 1.881 32.250 30.300 0.115 0.000 1.182 894 R HN -0.177 nan 8.270 nan 0.000 0.479 895 V N 1.894 121.997 119.914 0.314 0.000 2.525 895 V HA 0.342 4.475 4.120 0.022 0.000 0.299 895 V C -0.349 176.009 176.094 0.440 0.000 1.034 895 V CA -0.924 61.605 62.300 0.382 0.000 0.863 895 V CB 1.890 33.893 31.823 0.299 0.000 0.999 895 V HN 0.642 nan 8.190 nan 0.000 0.423 896 N N 4.488 123.419 118.700 0.385 0.000 2.342 896 N HA 0.556 5.310 4.740 0.022 0.000 0.293 896 N C -1.424 174.333 175.510 0.412 0.000 1.026 896 N CA -0.398 52.847 53.050 0.325 0.000 0.857 896 N CB 2.620 41.197 38.487 0.149 0.000 1.256 896 N HN 0.812 nan 8.380 nan 0.000 0.484 897 W N 3.386 124.726 121.300 0.066 0.000 3.213 897 W HA 0.531 5.204 4.660 0.022 0.000 0.318 897 W C -2.109 174.386 176.519 -0.040 0.000 1.248 897 W CA -1.101 56.264 57.345 0.032 0.000 1.187 897 W CB 0.577 30.096 29.460 0.097 0.000 1.403 897 W HN 0.218 nan 8.180 nan 0.000 0.556 898 L N 4.740 125.944 121.223 -0.032 0.000 2.283 898 L HA 0.906 5.260 4.340 0.022 0.000 0.281 898 L C 0.030 176.730 176.870 -0.284 0.000 1.033 898 L CA 0.424 55.053 54.840 -0.351 0.000 0.848 898 L CB 0.430 42.363 42.059 -0.210 0.000 1.226 898 L HN 0.979 nan 8.230 nan 0.000 0.429 899 G N 3.739 112.251 108.800 -0.479 0.000 2.364 899 G HA2 0.225 4.198 3.960 0.022 0.000 0.286 899 G HA3 0.225 4.198 3.960 0.022 0.000 0.286 899 G C -1.572 173.366 174.900 0.063 0.000 1.241 899 G CA -1.034 44.005 45.100 -0.102 0.000 0.887 899 G HN 0.410 nan 8.290 nan 0.000 0.484 900 L N 1.088 122.482 121.223 0.286 0.000 2.380 900 L HA 0.604 4.957 4.340 0.022 0.000 0.273 900 L C 1.074 178.061 176.870 0.195 0.000 1.138 900 L CA 0.765 55.733 54.840 0.213 0.000 0.832 900 L CB 0.612 42.745 42.059 0.123 0.000 1.124 900 L HN 1.146 nan 8.230 nan 0.000 0.454 901 G N 2.741 111.437 108.800 -0.173 0.000 2.428 901 G HA2 0.224 4.197 3.960 0.022 0.000 0.305 901 G HA3 0.224 4.197 3.960 0.022 0.000 0.305 901 G C -2.702 171.396 174.900 -1.336 0.000 1.260 901 G CA -0.211 44.455 45.100 -0.724 0.000 0.853 901 G HN 0.330 nan 8.290 nan 0.000 0.480 902 P HA 0.052 nan 4.420 nan 0.000 0.227 902 P C 0.414 177.526 177.300 -0.312 0.000 1.161 902 P CA 0.679 63.124 63.100 -1.093 0.000 0.788 902 P CB 0.464 31.637 31.700 -0.878 0.000 0.822 903 Q N 0.559 120.163 119.800 -0.326 0.000 2.318 903 Q HA 0.148 4.502 4.340 0.022 0.000 0.222 903 Q C 0.426 176.319 176.000 -0.179 0.000 1.003 903 Q CA -0.593 55.097 55.803 -0.189 0.000 0.936 903 Q CB 0.681 29.327 28.738 -0.153 0.000 1.204 903 Q HN 0.142 nan 8.270 nan 0.000 0.524 904 E N 1.438 121.541 120.200 -0.161 0.000 2.502 904 E HA -0.105 4.258 4.350 0.022 0.000 0.261 904 E C -1.153 175.381 176.600 -0.110 0.000 0.974 904 E CA 0.263 56.561 56.400 -0.170 0.000 0.936 904 E CB 0.246 29.903 29.700 -0.072 0.000 0.926 904 E HN 0.603 nan 8.360 nan 0.000 0.459 905 N N 2.732 121.307 118.700 -0.209 0.000 2.367 905 N HA 0.312 5.066 4.740 0.022 0.000 0.278 905 N C -1.895 173.437 175.510 -0.296 0.000 1.117 905 N CA -0.673 52.309 53.050 -0.114 0.000 0.867 905 N CB 0.693 39.118 38.487 -0.104 0.000 1.649 905 N HN 0.241 nan 8.380 nan 0.000 0.479 906 Y N 0.049 120.268 120.300 -0.135 0.000 2.630 906 Y HA 0.515 5.078 4.550 0.022 0.000 0.337 906 Y C -1.616 174.219 175.900 -0.109 0.000 1.051 906 Y CA -2.049 55.964 58.100 -0.145 0.000 1.121 906 Y CB 1.671 40.046 38.460 -0.142 0.000 1.299 906 Y HN 0.435 nan 8.280 nan 0.000 0.498 907 P HA -0.217 nan 4.420 nan 0.000 0.217 907 P C 0.434 177.592 177.300 -0.236 0.000 1.162 907 P CA 2.406 65.539 63.100 0.055 0.000 0.901 907 P CB 0.172 32.000 31.700 0.214 0.000 0.793 908 D N -2.327 117.715 120.400 -0.597 0.000 2.325 908 D HA -0.006 4.648 4.640 0.022 0.000 0.225 908 D C 0.647 176.787 176.300 -0.267 0.000 1.096 908 D CA 0.171 53.627 54.000 -0.907 0.000 0.844 908 D CB -0.365 39.717 40.800 -1.197 0.000 0.925 908 D HN 0.140 nan 8.370 nan 0.000 0.513 909 R N 0.960 121.408 120.500 -0.087 0.000 2.734 909 R HA 0.185 4.539 4.340 0.022 0.000 0.242 909 R C -0.705 175.630 176.300 0.058 0.000 1.617 909 R CA -0.172 55.945 56.100 0.028 0.000 1.572 909 R CB 0.055 30.378 30.300 0.039 0.000 1.477 909 R HN 0.109 nan 8.270 nan 0.000 0.707 910 L N -1.652 119.611 121.223 0.067 0.000 3.410 910 L HA 0.334 4.687 4.340 0.022 0.000 0.309 910 L C 1.280 178.208 176.870 0.098 0.000 1.254 910 L CA 0.096 54.974 54.840 0.065 0.000 1.048 910 L CB 0.158 42.245 42.059 0.047 0.000 1.442 910 L HN 0.099 nan 8.230 nan 0.000 0.615 911 T N -2.688 111.951 114.554 0.142 0.000 2.867 911 T HA 0.032 4.395 4.350 0.022 0.000 0.268 911 T C 1.786 176.526 174.700 0.068 0.000 1.057 911 T CA 1.296 63.506 62.100 0.183 0.000 1.136 911 T CB -0.285 68.750 68.868 0.279 0.000 0.874 911 T HN 0.382 nan 8.240 nan 0.000 0.466 912 A N 1.737 124.600 122.820 0.072 0.000 2.016 912 A HA 0.638 4.972 4.320 0.022 0.000 0.217 912 A C 1.673 179.329 177.584 0.119 0.000 1.162 912 A CA 0.560 52.594 52.037 -0.004 0.000 0.662 912 A CB -0.976 18.168 19.000 0.238 0.000 0.812 912 A HN 0.834 nan 8.150 nan 0.000 0.450 913 A N -1.005 121.837 122.820 0.037 0.000 2.407 913 A HA 0.437 4.770 4.320 0.022 0.000 0.248 913 A C 0.061 177.658 177.584 0.022 0.000 1.082 913 A CA -0.043 51.973 52.037 -0.034 0.000 0.785 913 A CB -0.181 18.789 19.000 -0.049 0.000 1.020 913 A HN 0.492 nan 8.150 nan 0.000 0.489 914 C N 0.755 120.061 119.300 0.011 0.000 2.493 914 C HA 0.560 5.033 4.460 0.022 0.000 0.326 914 C C -0.071 175.018 174.990 0.164 0.000 1.200 914 C CA -0.485 58.599 59.018 0.111 0.000 1.739 914 C CB 0.781 28.604 27.740 0.139 0.000 2.300 914 C HN 0.787 nan 8.230 nan 0.000 0.500 915 F N 3.475 123.268 119.950 -0.262 0.000 2.445 915 F HA 0.495 5.035 4.527 0.022 0.000 0.359 915 F C 0.375 175.863 175.800 -0.520 0.000 1.101 915 F CA 1.158 58.847 58.000 -0.518 0.000 1.177 915 F CB 0.012 38.148 39.000 -1.440 0.000 1.110 915 F HN 0.624 nan 8.300 nan 0.000 0.522 916 D N 3.003 122.773 120.400 -1.050 0.000 2.893 916 D HA 0.136 4.790 4.640 0.022 0.000 0.346 916 D C -1.712 173.702 176.300 -1.477 0.000 1.402 916 D CA -0.731 52.552 54.000 -1.196 0.000 0.815 916 D CB 1.319 41.355 40.800 -1.273 0.000 1.403 916 D HN 0.441 nan 8.370 nan 0.000 0.484 917 R N 0.836 120.561 120.500 -1.292 0.000 2.196 917 R HA 0.488 4.841 4.340 0.022 0.000 0.340 917 R C -1.423 174.142 176.300 -1.226 0.000 1.043 917 R CA -0.124 55.372 56.100 -1.006 0.000 0.883 917 R CB 0.025 29.971 30.300 -0.591 0.000 1.078 917 R HN 0.263 nan 8.270 nan 0.000 0.462 918 W N 2.862 123.635 121.300 -0.878 0.000 2.689 918 W HA 0.421 5.094 4.660 0.022 0.000 0.340 918 W C -0.402 175.739 176.519 -0.630 0.000 1.060 918 W CA -0.712 56.067 57.345 -0.944 0.000 1.218 918 W CB 1.697 30.139 29.460 -1.696 0.000 1.410 918 W HN 0.378 nan 8.180 nan 0.000 0.528 919 D N 2.986 123.352 120.400 -0.058 0.000 2.736 919 D HA 0.528 5.182 4.640 0.022 0.000 0.243 919 D C -1.480 174.923 176.300 0.171 0.000 1.304 919 D CA -0.191 53.865 54.000 0.093 0.000 0.934 919 D CB 1.236 42.051 40.800 0.025 0.000 1.382 919 D HN 0.409 nan 8.370 nan 0.000 0.571 920 L N 3.391 124.784 121.223 0.284 0.000 2.415 920 L HA 0.550 4.903 4.340 0.022 0.000 0.256 920 L C -2.321 174.667 176.870 0.197 0.000 1.010 920 L CA -1.975 53.002 54.840 0.228 0.000 0.826 920 L CB 2.924 45.151 42.059 0.280 0.000 1.405 920 L HN 0.189 nan 8.230 nan 0.000 0.410 921 P HA 0.025 nan 4.420 nan 0.000 0.272 921 P C 0.588 177.966 177.300 0.130 0.000 1.223 921 P CA -0.428 62.744 63.100 0.120 0.000 0.784 921 P CB 1.236 32.986 31.700 0.084 0.000 0.923 922 L N 3.373 124.677 121.223 0.136 0.000 2.051 922 L HA -0.267 4.087 4.340 0.022 0.000 0.214 922 L C 2.477 179.393 176.870 0.077 0.000 1.076 922 L CA 2.874 57.783 54.840 0.115 0.000 0.758 922 L CB -1.671 40.467 42.059 0.131 0.000 0.890 922 L HN 0.503 nan 8.230 nan 0.000 0.433 923 S N -1.673 114.074 115.700 0.078 0.000 2.400 923 S HA -0.205 4.279 4.470 0.022 0.000 0.232 923 S C 1.599 176.270 174.600 0.118 0.000 1.025 923 S CA 1.307 59.568 58.200 0.101 0.000 0.993 923 S CB -0.842 62.410 63.200 0.087 0.000 0.808 923 S HN 0.542 nan 8.310 nan 0.000 0.478 924 D N 0.915 121.362 120.400 0.079 0.000 2.371 924 D HA 0.119 4.772 4.640 0.022 0.000 0.221 924 D C 1.103 177.409 176.300 0.011 0.000 0.986 924 D CA 0.545 54.572 54.000 0.044 0.000 0.899 924 D CB -0.132 40.703 40.800 0.057 0.000 0.902 924 D HN 0.370 nan 8.370 nan 0.000 0.530 925 M N -0.434 119.180 119.600 0.024 0.000 2.494 925 M HA 0.094 4.587 4.480 0.022 0.000 0.232 925 M C -0.244 176.056 176.300 0.000 0.000 1.137 925 M CA -0.088 55.179 55.300 -0.054 0.000 1.012 925 M CB -0.775 31.785 32.600 -0.067 0.000 1.567 925 M HN -0.045 nan 8.290 nan 0.000 0.486 926 Y N -0.281 119.977 120.300 -0.070 0.000 2.391 926 Y HA 0.505 5.069 4.550 0.023 0.000 0.341 926 Y C -0.850 175.007 175.900 -0.072 0.000 0.965 926 Y CA -0.977 57.105 58.100 -0.031 0.000 1.067 926 Y CB 1.361 39.861 38.460 0.066 0.000 1.199 926 Y HN -0.116 nan 8.280 nan 0.000 0.450 927 T N 8.863 122.914 114.554 -0.838 0.000 2.756 927 T HA 0.281 4.645 4.350 0.022 0.000 0.290 927 T C -2.628 171.303 174.700 -1.281 0.000 0.985 927 T CA -1.504 60.054 62.100 -0.905 0.000 0.955 927 T CB 1.129 69.521 68.868 -0.794 0.000 0.930 927 T HN 0.469 nan 8.240 nan 0.000 0.451 928 P HA 0.075 nan 4.420 nan 0.000 0.232 928 P C -0.741 176.441 177.300 -0.197 0.000 1.738 928 P CA -0.419 62.333 63.100 -0.580 0.000 0.948 928 P CB -0.614 30.862 31.700 -0.373 0.000 1.943 929 Y N -0.102 120.159 120.300 -0.066 0.000 2.632 929 Y HA -0.090 4.474 4.550 0.022 0.000 0.329 929 Y C 2.250 178.225 175.900 0.125 0.000 1.174 929 Y CA 0.007 58.139 58.100 0.053 0.000 1.469 929 Y CB 0.112 38.533 38.460 -0.065 0.000 1.242 929 Y HN -0.086 nan 8.280 nan 0.000 0.540 930 V N 3.496 123.650 119.914 0.399 0.000 2.317 930 V HA -0.319 3.814 4.120 0.022 0.000 0.251 930 V C 0.727 177.008 176.094 0.313 0.000 1.065 930 V CA 1.551 64.060 62.300 0.347 0.000 1.049 930 V CB -0.651 31.410 31.823 0.397 0.000 0.651 930 V HN 0.606 nan 8.190 nan 0.000 0.450 931 F N 2.705 122.730 119.950 0.126 0.000 2.350 931 F HA 0.488 5.028 4.527 0.023 0.000 0.365 931 F C -2.329 173.498 175.800 0.045 0.000 1.122 931 F CA -3.539 54.478 58.000 0.029 0.000 1.139 931 F CB 0.600 39.533 39.000 -0.111 0.000 1.220 931 F HN 0.007 nan 8.300 nan 0.000 0.499 932 P HA 0.169 nan 4.420 nan 0.000 0.265 932 P C -0.961 176.139 177.300 -0.333 0.000 1.187 932 P CA 0.358 63.292 63.100 -0.277 0.000 0.766 932 P CB 0.888 32.412 31.700 -0.292 0.000 0.820 933 S N 0.169 115.810 115.700 -0.098 0.000 2.656 933 S HA 0.392 4.876 4.470 0.022 0.000 0.265 933 S C -0.960 173.653 174.600 0.022 0.000 1.132 933 S CA -1.029 57.141 58.200 -0.051 0.000 0.819 933 S CB 0.361 63.550 63.200 -0.019 0.000 1.119 933 S HN 0.330 nan 8.310 nan 0.000 0.476 934 E N 1.297 121.515 120.200 0.030 0.000 2.502 934 E HA 0.392 4.755 4.350 0.022 0.000 0.261 934 E C -0.139 176.526 176.600 0.109 0.000 0.974 934 E CA 0.906 57.347 56.400 0.069 0.000 0.936 934 E CB -0.257 29.505 29.700 0.103 0.000 0.926 934 E HN 0.813 nan 8.360 nan 0.000 0.459 935 N N 1.350 120.142 118.700 0.153 0.000 3.116 935 N HA 0.481 5.234 4.740 0.022 0.000 0.244 935 N C 0.217 175.776 175.510 0.081 0.000 1.485 935 N CA -0.568 52.606 53.050 0.207 0.000 0.884 935 N CB 0.704 39.314 38.487 0.206 0.000 1.415 935 N HN 0.689 nan 8.380 nan 0.000 0.524 936 G N -1.311 107.496 108.800 0.012 0.000 2.175 936 G HA2 -0.281 3.692 3.960 0.022 0.000 0.265 936 G HA3 -0.281 3.692 3.960 0.022 0.000 0.265 936 G C -0.177 174.469 174.900 -0.423 0.000 0.979 936 G CA 0.592 45.584 45.100 -0.180 0.000 0.663 936 G HN 0.724 nan 8.290 nan 0.000 0.533 937 L N -0.166 120.740 121.223 -0.528 0.000 2.483 937 L HA 0.686 5.039 4.340 0.022 0.000 0.275 937 L C 0.619 176.919 176.870 -0.950 0.000 1.220 937 L CA 0.305 54.595 54.840 -0.918 0.000 0.833 937 L CB 0.585 41.806 42.059 -1.397 0.000 1.102 937 L HN 0.233 nan 8.230 nan 0.000 0.490 938 R N 2.425 122.287 120.500 -1.064 0.000 2.575 938 R HA 0.507 4.861 4.340 0.022 0.000 0.293 938 R C -1.080 174.878 176.300 -0.570 0.000 0.983 938 R CA -0.283 55.320 56.100 -0.828 0.000 0.887 938 R CB 1.427 31.041 30.300 -1.143 0.000 1.184 938 R HN 0.728 nan 8.270 nan 0.000 0.445 939 C N 0.218 119.332 119.300 -0.310 0.000 2.380 939 C HA 0.719 5.193 4.460 0.022 0.000 0.393 939 C C 1.259 176.237 174.990 -0.019 0.000 1.284 939 C CA -0.072 58.846 59.018 -0.167 0.000 2.033 939 C CB 1.319 28.980 27.740 -0.131 0.000 2.165 939 C HN 1.020 nan 8.230 nan 0.000 0.540 940 G N 1.713 110.514 108.800 0.001 0.000 2.390 940 G HA2 -0.188 3.786 3.960 0.022 0.000 0.299 940 G HA3 -0.188 3.786 3.960 0.022 0.000 0.299 940 G C -0.051 174.923 174.900 0.122 0.000 1.002 940 G CA 0.635 45.784 45.100 0.081 0.000 0.979 940 G HN 0.805 nan 8.290 nan 0.000 0.513 941 T N 0.084 114.589 114.554 -0.082 0.000 2.767 941 T HA 0.504 4.867 4.350 0.022 0.000 0.288 941 T C 1.331 175.729 174.700 -0.503 0.000 0.963 941 T CA -0.667 61.342 62.100 -0.151 0.000 1.019 941 T CB 1.406 70.228 68.868 -0.077 0.000 0.923 941 T HN 0.228 nan 8.240 nan 0.000 0.468 942 R N 1.595 122.020 120.500 -0.125 0.000 2.282 942 R HA 0.273 4.626 4.340 0.022 0.000 0.195 942 R C 0.554 176.878 176.300 0.040 0.000 0.909 942 R CA 0.208 56.281 56.100 -0.046 0.000 1.039 942 R CB 0.343 30.751 30.300 0.179 0.000 1.015 942 R HN 0.710 nan 8.270 nan 0.000 0.513 943 E N 0.524 120.766 120.200 0.069 0.000 2.321 943 E HA 0.315 4.678 4.350 0.022 0.000 0.281 943 E C -1.850 174.894 176.600 0.240 0.000 0.910 943 E CA -0.653 55.868 56.400 0.202 0.000 0.770 943 E CB 1.507 31.291 29.700 0.140 0.000 1.225 943 E HN -0.073 nan 8.360 nan 0.000 0.417 944 L N 4.166 125.582 121.223 0.321 0.000 2.385 944 L HA 0.594 4.948 4.340 0.022 0.000 0.273 944 L C -1.799 175.240 176.870 0.281 0.000 0.990 944 L CA -0.389 54.576 54.840 0.208 0.000 0.821 944 L CB 1.737 43.778 42.059 -0.031 0.000 1.279 944 L HN 0.469 nan 8.230 nan 0.000 0.412 945 N N 4.441 123.284 118.700 0.238 0.000 2.354 945 N HA 0.397 5.150 4.740 0.022 0.000 0.287 945 N C -1.957 173.754 175.510 0.335 0.000 1.016 945 N CA -0.260 52.924 53.050 0.223 0.000 0.871 945 N CB 2.132 40.701 38.487 0.137 0.000 1.299 945 N HN 0.593 nan 8.380 nan 0.000 0.482 946 Y N 1.220 121.627 120.300 0.178 0.000 2.307 946 Y HA 0.397 4.960 4.550 0.022 0.000 0.323 946 Y C 0.619 176.596 175.900 0.128 0.000 1.100 946 Y CA 0.096 58.309 58.100 0.189 0.000 1.140 946 Y CB 0.554 39.197 38.460 0.305 0.000 1.159 946 Y HN 0.859 nan 8.280 nan 0.000 0.436 947 G N 6.514 115.115 108.800 -0.332 0.000 2.583 947 G HA2 -0.294 3.679 3.960 0.022 0.000 0.292 947 G HA3 -0.294 3.679 3.960 0.022 0.000 0.292 947 G C -1.641 173.127 174.900 -0.221 0.000 1.203 947 G CA 0.097 45.000 45.100 -0.329 0.000 0.987 947 G HN 0.614 nan 8.290 nan 0.000 0.554 948 P HA 0.156 nan 4.420 nan 0.000 0.255 948 P C 0.068 177.166 177.300 -0.336 0.000 1.248 948 P CA 0.592 63.500 63.100 -0.320 0.000 0.807 948 P CB 0.048 31.527 31.700 -0.368 0.000 1.150 949 H N 0.554 119.550 119.070 -0.123 0.000 2.481 949 H HA 0.463 5.033 4.556 0.022 0.000 0.339 949 H C -0.080 174.946 175.328 -0.503 0.000 1.131 949 H CA 0.037 55.880 56.048 -0.340 0.000 1.301 949 H CB 1.620 31.013 29.762 -0.615 0.000 1.476 949 H HN 0.114 nan 8.280 nan 0.000 0.529 950 Q N 2.362 121.858 119.800 -0.506 0.000 2.289 950 Q HA 0.232 4.585 4.340 0.022 0.000 0.270 950 Q C -1.612 174.096 176.000 -0.485 0.000 1.038 950 Q CA -0.702 54.908 55.803 -0.321 0.000 0.812 950 Q CB 2.135 30.834 28.738 -0.065 0.000 1.300 950 Q HN 0.576 nan 8.270 nan 0.000 0.427 951 W N 3.868 125.128 121.300 -0.066 0.000 2.656 951 W HA 0.568 5.242 4.660 0.022 0.000 0.327 951 W C -0.240 176.372 176.519 0.155 0.000 1.041 951 W CA -0.654 56.629 57.345 -0.103 0.000 1.229 951 W CB 1.945 31.150 29.460 -0.425 0.000 1.397 951 W HN 0.519 nan 8.180 nan 0.000 0.479 952 R N 0.851 121.591 120.500 0.400 0.000 2.750 952 R HA 0.780 5.134 4.340 0.022 0.000 0.281 952 R C 0.213 176.792 176.300 0.465 0.000 0.972 952 R CA -0.492 55.857 56.100 0.415 0.000 0.912 952 R CB 2.423 32.872 30.300 0.248 0.000 1.187 952 R HN 0.747 nan 8.270 nan 0.000 0.464 953 G N 0.816 109.870 108.800 0.423 0.000 2.553 953 G HA2 -0.016 3.958 3.960 0.022 0.000 0.106 953 G HA3 -0.016 3.958 3.960 0.022 0.000 0.106 953 G C -1.747 173.259 174.900 0.177 0.000 1.126 953 G CA -0.333 44.978 45.100 0.351 0.000 1.075 953 G HN 0.498 nan 8.290 nan 0.000 0.472 954 D N 0.045 120.551 120.400 0.175 0.000 2.411 954 D HA 0.589 5.242 4.640 0.022 0.000 0.239 954 D C -0.684 175.608 176.300 -0.013 0.000 1.307 954 D CA -0.454 53.532 54.000 -0.023 0.000 0.930 954 D CB 0.197 41.024 40.800 0.045 0.000 1.395 954 D HN 0.571 nan 8.370 nan 0.000 0.536 955 F N -0.178 119.770 119.950 -0.004 0.000 2.824 955 F HA 0.748 5.288 4.527 0.022 0.000 0.330 955 F C -1.102 174.659 175.800 -0.065 0.000 1.175 955 F CA -1.005 56.934 58.000 -0.101 0.000 0.974 955 F CB 0.753 39.690 39.000 -0.105 0.000 1.430 955 F HN -0.146 nan 8.300 nan 0.000 0.507 956 Q N 1.449 121.350 119.800 0.169 0.000 2.377 956 Q HA 0.647 5.000 4.340 0.022 0.000 0.271 956 Q C -1.323 174.736 176.000 0.100 0.000 1.077 956 Q CA -0.512 55.284 55.803 -0.012 0.000 0.820 956 Q CB 2.761 31.381 28.738 -0.195 0.000 1.347 956 Q HN 0.851 nan 8.270 nan 0.000 0.444 957 F N -1.027 118.801 119.950 -0.204 0.000 2.686 957 F HA 0.754 5.295 4.527 0.023 0.000 0.311 957 F C -1.659 173.913 175.800 -0.380 0.000 1.128 957 F CA -1.074 56.758 58.000 -0.280 0.000 0.946 957 F CB 1.554 40.410 39.000 -0.239 0.000 1.336 957 F HN 0.557 nan 8.300 nan 0.000 0.457 958 N N 1.773 120.278 118.700 -0.324 0.000 2.277 958 N HA 0.704 5.457 4.740 0.022 0.000 0.286 958 N C -2.193 173.244 175.510 -0.121 0.000 1.140 958 N CA -0.698 52.137 53.050 -0.358 0.000 0.799 958 N CB 2.510 40.814 38.487 -0.305 0.000 1.596 958 N HN 1.137 nan 8.380 nan 0.000 0.473 959 I N 0.606 121.105 120.570 -0.119 0.000 2.644 959 I HA 0.720 4.903 4.170 0.022 0.000 0.291 959 I C -1.356 174.679 176.117 -0.138 0.000 1.180 959 I CA 0.008 61.211 61.300 -0.161 0.000 1.040 959 I CB 1.412 39.249 38.000 -0.272 0.000 1.255 959 I HN 1.052 nan 8.210 nan 0.000 0.422 960 S N 6.153 121.782 115.700 -0.120 0.000 2.655 960 S HA 0.510 4.993 4.470 0.022 0.000 0.266 960 S C -0.199 174.289 174.600 -0.188 0.000 1.149 960 S CA -0.978 57.138 58.200 -0.140 0.000 0.818 960 S CB 1.596 64.765 63.200 -0.052 0.000 1.130 960 S HN 0.621 nan 8.310 nan 0.000 0.476 961 R N -0.310 119.909 120.500 -0.468 0.000 2.320 961 R HA 0.248 4.601 4.340 0.022 0.000 0.211 961 R C -0.914 175.079 176.300 -0.511 0.000 0.931 961 R CA 0.352 56.158 56.100 -0.490 0.000 1.071 961 R CB -0.921 28.990 30.300 -0.649 0.000 1.025 961 R HN 0.630 nan 8.270 nan 0.000 0.495 962 Y N 0.203 120.464 120.300 -0.066 0.000 2.341 962 Y HA 0.248 4.811 4.550 0.022 0.000 0.338 962 Y C 0.747 176.460 175.900 -0.310 0.000 0.965 962 Y CA -1.557 56.431 58.100 -0.187 0.000 1.108 962 Y CB 1.267 39.566 38.460 -0.268 0.000 1.180 962 Y HN -0.105 nan 8.280 nan 0.000 0.458 963 S N 1.832 117.234 115.700 -0.497 0.000 2.593 963 S HA 0.078 4.561 4.470 0.022 0.000 0.269 963 S C 0.936 175.214 174.600 -0.537 0.000 1.334 963 S CA -0.713 56.828 58.200 -1.097 0.000 1.015 963 S CB 1.116 63.393 63.200 -1.538 0.000 0.912 963 S HN 0.688 nan 8.310 nan 0.000 0.541 964 Q N 0.693 120.190 119.800 -0.505 0.000 2.124 964 Q HA -0.187 4.166 4.340 0.022 0.000 0.202 964 Q C 2.189 178.053 176.000 -0.227 0.000 0.977 964 Q CA 1.731 57.374 55.803 -0.267 0.000 0.850 964 Q CB -0.574 28.036 28.738 -0.213 0.000 0.901 964 Q HN 0.943 nan 8.270 nan 0.000 0.429 965 Q N 0.606 120.231 119.800 -0.292 0.000 2.030 965 Q HA -0.232 4.121 4.340 0.022 0.000 0.204 965 Q C 2.148 178.047 176.000 -0.169 0.000 0.986 965 Q CA 1.718 57.405 55.803 -0.193 0.000 0.843 965 Q CB 0.000 28.624 28.738 -0.191 0.000 0.904 965 Q HN 0.423 nan 8.270 nan 0.000 0.420 966 Q N 0.002 119.679 119.800 -0.205 0.000 2.084 966 Q HA -0.170 4.184 4.340 0.022 0.000 0.202 966 Q C 2.198 178.091 176.000 -0.179 0.000 0.978 966 Q CA 1.252 56.956 55.803 -0.166 0.000 0.844 966 Q CB -0.088 28.539 28.738 -0.186 0.000 0.898 966 Q HN 0.463 nan 8.270 nan 0.000 0.426 967 L N 0.136 121.246 121.223 -0.188 0.000 2.079 967 L HA -0.207 4.147 4.340 0.022 0.000 0.210 967 L C 2.673 179.422 176.870 -0.201 0.000 1.081 967 L CA 1.283 56.009 54.840 -0.190 0.000 0.752 967 L CB -0.359 41.621 42.059 -0.131 0.000 0.896 967 L HN 0.421 nan 8.230 nan 0.000 0.433 968 M N -0.397 119.110 119.600 -0.155 0.000 2.254 968 M HA -0.146 4.348 4.480 0.022 0.000 0.265 968 M C 1.586 177.808 176.300 -0.130 0.000 1.066 968 M CA 1.624 56.844 55.300 -0.134 0.000 1.123 968 M CB 0.149 32.686 32.600 -0.105 0.000 1.388 968 M HN 0.169 nan 8.290 nan 0.000 0.425 969 E N -0.389 119.739 120.200 -0.120 0.000 2.479 969 E HA 0.071 4.434 4.350 0.022 0.000 0.193 969 E C -0.320 176.228 176.600 -0.088 0.000 1.049 969 E CA 0.069 56.418 56.400 -0.085 0.000 0.870 969 E CB 0.388 30.051 29.700 -0.063 0.000 0.944 969 E HN 0.342 nan 8.360 nan 0.000 0.492 970 T N 0.535 115.005 114.554 -0.140 0.000 2.794 970 T HA 0.109 4.472 4.350 0.022 0.000 0.280 970 T C 1.158 175.759 174.700 -0.166 0.000 0.987 970 T CA -0.449 61.569 62.100 -0.136 0.000 0.993 970 T CB 1.705 70.469 68.868 -0.172 0.000 0.939 970 T HN 0.046 nan 8.240 nan 0.000 0.449 971 S N 1.930 117.624 115.700 -0.011 0.000 2.458 971 S HA 0.057 4.540 4.470 0.022 0.000 0.223 971 S C 0.324 175.000 174.600 0.126 0.000 1.019 971 S CA 0.341 58.617 58.200 0.126 0.000 0.937 971 S CB -0.238 63.186 63.200 0.375 0.000 0.788 971 S HN 0.738 nan 8.310 nan 0.000 0.511 972 H N 0.517 119.588 119.070 0.001 0.000 2.690 972 H HA 0.555 5.124 4.556 0.022 0.000 0.368 972 H C 1.032 176.342 175.328 -0.030 0.000 1.150 972 H CA -0.745 55.361 56.048 0.096 0.000 1.174 972 H CB 1.473 31.308 29.762 0.122 0.000 1.684 972 H HN 0.164 nan 8.280 nan 0.000 0.538 973 R N 1.437 122.050 120.500 0.188 0.000 2.115 973 R HA -0.137 4.217 4.340 0.022 0.000 0.230 973 R C 1.121 177.444 176.300 0.038 0.000 1.111 973 R CA 1.677 57.821 56.100 0.073 0.000 0.976 973 R CB -0.390 29.993 30.300 0.138 0.000 0.870 973 R HN 0.781 nan 8.270 nan 0.000 0.445 974 H N 0.907 119.997 119.070 0.033 0.000 2.559 974 H HA 0.056 4.626 4.556 0.022 0.000 0.273 974 H C 1.280 176.545 175.328 -0.105 0.000 1.000 974 H CA 0.596 56.628 56.048 -0.027 0.000 1.195 974 H CB -0.020 29.735 29.762 -0.010 0.000 1.368 974 H HN 0.319 nan 8.280 nan 0.000 0.592 975 L N 0.848 121.738 121.223 -0.556 0.000 2.607 975 L HA 0.241 4.595 4.340 0.022 0.000 0.228 975 L C 0.564 177.309 176.870 -0.207 0.000 1.123 975 L CA -0.139 54.422 54.840 -0.466 0.000 0.890 975 L CB 0.267 42.025 42.059 -0.503 0.000 1.103 975 L HN 0.066 nan 8.230 nan 0.000 0.468 976 L N 1.085 122.185 121.223 -0.206 0.000 2.397 976 L HA 0.167 4.521 4.340 0.022 0.000 0.271 976 L C 0.091 176.951 176.870 -0.016 0.000 1.148 976 L CA -0.165 54.538 54.840 -0.228 0.000 0.825 976 L CB 0.443 42.134 42.059 -0.613 0.000 1.117 976 L HN 0.186 nan 8.230 nan 0.000 0.456 977 H N 1.792 120.884 119.070 0.037 0.000 2.600 977 H HA 0.559 5.129 4.556 0.022 0.000 0.357 977 H C -0.779 174.672 175.328 0.204 0.000 1.106 977 H CA -1.239 54.871 56.048 0.103 0.000 1.193 977 H CB 1.362 31.139 29.762 0.025 0.000 1.594 977 H HN 0.666 nan 8.280 nan 0.000 0.526 978 A N 3.820 126.717 122.820 0.129 0.000 2.548 978 A HA 0.080 4.414 4.320 0.022 0.000 0.247 978 A C 0.384 177.958 177.584 -0.018 0.000 1.067 978 A CA -0.102 51.878 52.037 -0.095 0.000 0.757 978 A CB -0.211 18.726 19.000 -0.106 0.000 0.996 978 A HN 0.834 nan 8.150 nan 0.000 0.504 979 E N 1.282 121.441 120.200 -0.069 0.000 2.312 979 E HA 0.179 4.542 4.350 0.022 0.000 0.259 979 E C -0.005 176.610 176.600 0.026 0.000 1.122 979 E CA -0.626 55.810 56.400 0.060 0.000 0.922 979 E CB 0.788 30.598 29.700 0.182 0.000 1.109 979 E HN 0.794 nan 8.360 nan 0.000 0.442 980 E N 0.336 120.557 120.200 0.036 0.000 2.414 980 E HA 0.143 4.506 4.350 0.022 0.000 0.263 980 E C 0.424 176.969 176.600 -0.091 0.000 1.000 980 E CA 0.711 57.099 56.400 -0.020 0.000 0.914 980 E CB 0.380 30.070 29.700 -0.018 0.000 0.948 980 E HN 0.683 nan 8.360 nan 0.000 0.444 981 G N 3.111 111.861 108.800 -0.082 0.000 2.539 981 G HA2 -0.247 3.727 3.960 0.022 0.000 0.256 981 G HA3 -0.247 3.727 3.960 0.022 0.000 0.256 981 G C -0.565 174.269 174.900 -0.109 0.000 1.233 981 G CA -0.020 45.019 45.100 -0.102 0.000 0.936 981 G HN 0.634 nan 8.290 nan 0.000 0.571 982 T N -0.038 114.425 114.554 -0.153 0.000 2.928 982 T HA 0.492 4.855 4.350 0.022 0.000 0.296 982 T C -0.956 173.594 174.700 -0.251 0.000 1.000 982 T CA -0.217 61.802 62.100 -0.136 0.000 0.989 982 T CB 1.495 70.356 68.868 -0.013 0.000 1.005 982 T HN 0.582 nan 8.240 nan 0.000 0.442 983 W N 3.130 124.330 121.300 -0.165 0.000 2.322 983 W HA 0.603 5.276 4.660 0.022 0.000 0.307 983 W C -0.253 176.128 176.519 -0.229 0.000 1.220 983 W CA -0.646 56.598 57.345 -0.168 0.000 1.210 983 W CB 0.719 30.092 29.460 -0.145 0.000 1.223 983 W HN 0.384 nan 8.180 nan 0.000 0.511 984 L N 5.699 126.901 121.223 -0.036 0.000 2.333 984 L HA 0.506 4.859 4.340 0.022 0.000 0.280 984 L C -0.919 175.834 176.870 -0.195 0.000 1.004 984 L CA -0.388 54.312 54.840 -0.234 0.000 0.820 984 L CB 0.803 42.572 42.059 -0.482 0.000 1.247 984 L HN 0.312 nan 8.230 nan 0.000 0.416 985 N N 6.844 125.418 118.700 -0.211 0.000 2.483 985 N HA 0.463 5.217 4.740 0.022 0.000 0.267 985 N C -1.232 174.122 175.510 -0.261 0.000 0.998 985 N CA -0.170 52.758 53.050 -0.204 0.000 0.918 985 N CB 2.098 40.496 38.487 -0.149 0.000 1.215 985 N HN 0.559 nan 8.380 nan 0.000 0.500 986 I N 1.919 122.287 120.570 -0.337 0.000 2.382 986 I HA 0.218 4.402 4.170 0.022 0.000 0.285 986 I C -0.563 175.361 176.117 -0.322 0.000 1.007 986 I CA -0.662 60.404 61.300 -0.390 0.000 1.142 986 I CB 1.331 38.912 38.000 -0.698 0.000 1.289 986 I HN 0.144 nan 8.210 nan 0.000 0.453 987 D N 4.797 125.046 120.400 -0.251 0.000 2.168 987 D HA 0.244 4.897 4.640 0.022 0.000 0.246 987 D C 0.939 176.953 176.300 -0.477 0.000 1.050 987 D CA -0.248 53.551 54.000 -0.336 0.000 0.857 987 D CB 2.498 43.200 40.800 -0.165 0.000 1.169 987 D HN 0.679 nan 8.370 nan 0.000 0.453 988 G N 1.030 109.263 108.800 -0.946 0.000 2.408 988 G HA2 0.012 3.985 3.960 0.022 0.000 0.215 988 G HA3 0.012 3.985 3.960 0.022 0.000 0.215 988 G C 0.073 174.283 174.900 -1.150 0.000 1.156 988 G CA 0.453 44.846 45.100 -1.179 0.000 0.793 988 G HN 0.372 nan 8.290 nan 0.000 0.535 989 F N -1.884 117.859 119.950 -0.346 0.000 2.591 989 F HA 0.589 5.130 4.527 0.022 0.000 0.309 989 F C -0.614 175.080 175.800 -0.177 0.000 1.098 989 F CA -1.193 56.684 58.000 -0.205 0.000 0.937 989 F CB 2.080 40.901 39.000 -0.299 0.000 1.250 989 F HN 0.010 nan 8.300 nan 0.000 0.447 990 H N 1.942 121.013 119.070 0.002 0.000 2.771 990 H HA 0.548 5.118 4.556 0.022 0.000 0.361 990 H C -0.796 174.554 175.328 0.037 0.000 1.108 990 H CA -0.851 55.177 56.048 -0.034 0.000 1.201 990 H CB 1.891 31.616 29.762 -0.061 0.000 1.681 990 H HN 0.773 nan 8.280 nan 0.000 0.534 991 M N 3.291 122.803 119.600 -0.147 0.000 2.240 991 M HA 0.301 4.794 4.480 0.022 0.000 0.333 991 M C 0.469 176.848 176.300 0.133 0.000 1.110 991 M CA 0.168 55.460 55.300 -0.013 0.000 1.173 991 M CB 0.397 32.907 32.600 -0.150 0.000 1.458 991 M HN 0.836 nan 8.290 nan 0.000 0.458 992 G N 2.851 111.721 108.800 0.117 0.000 2.699 992 G HA2 0.272 4.246 3.960 0.022 0.000 0.246 992 G HA3 0.272 4.246 3.960 0.022 0.000 0.246 992 G C 0.587 175.463 174.900 -0.040 0.000 1.219 992 G CA -0.384 44.729 45.100 0.023 0.000 0.866 992 G HN 0.976 nan 8.290 nan 0.000 0.572 993 I N -1.555 118.949 120.570 -0.110 0.000 3.645 993 I HA 0.409 4.593 4.170 0.022 0.000 0.300 993 I C 1.234 177.283 176.117 -0.114 0.000 1.260 993 I CA 0.422 61.623 61.300 -0.166 0.000 1.365 993 I CB -0.549 37.256 38.000 -0.325 0.000 1.077 993 I HN 0.931 nan 8.210 nan 0.000 0.439 994 G N 1.585 110.340 108.800 -0.075 0.000 2.645 994 G HA2 0.015 3.988 3.960 0.022 0.000 0.246 994 G HA3 0.015 3.988 3.960 0.022 0.000 0.246 994 G C 0.558 175.453 174.900 -0.007 0.000 1.322 994 G CA 0.175 45.267 45.100 -0.015 0.000 0.898 994 G HN 1.339 nan 8.290 nan 0.000 0.573 995 G N -2.517 106.290 108.800 0.012 0.000 2.902 995 G HA2 0.039 4.013 3.960 0.022 0.000 0.215 995 G HA3 0.039 4.013 3.960 0.022 0.000 0.215 995 G C 0.644 175.589 174.900 0.075 0.000 0.976 995 G CA 0.928 46.044 45.100 0.027 0.000 0.794 995 G HN 0.942 nan 8.290 nan 0.000 0.557 996 D N 1.275 121.742 120.400 0.112 0.000 2.203 996 D HA 0.096 4.749 4.640 0.022 0.000 0.199 996 D C 0.963 177.294 176.300 0.052 0.000 0.997 996 D CA 2.182 56.310 54.000 0.215 0.000 0.863 996 D CB 0.123 41.053 40.800 0.217 0.000 0.928 996 D HN 0.814 nan 8.370 nan 0.000 0.458 997 D N -3.652 116.547 120.400 -0.335 0.000 2.671 997 D HA 0.271 4.924 4.640 0.022 0.000 0.273 997 D C -0.914 174.717 176.300 -1.115 0.000 1.264 997 D CA -0.727 52.606 54.000 -1.111 0.000 0.788 997 D CB 0.750 40.569 40.800 -1.635 0.000 1.324 997 D HN -0.296 nan 8.370 nan 0.000 0.424 998 S N -0.216 114.531 115.700 -1.589 0.000 2.624 998 S HA 0.261 4.744 4.470 0.022 0.000 0.246 998 S C -0.550 173.795 174.600 -0.426 0.000 1.072 998 S CA -0.637 57.120 58.200 -0.739 0.000 1.045 998 S CB -0.511 62.422 63.200 -0.445 0.000 0.851 998 S HN 0.596 nan 8.310 nan 0.000 0.480 999 W N 0.730 121.830 121.300 -0.332 0.000 2.324 999 W HA 0.517 5.190 4.660 0.021 0.000 0.316 999 W C 0.118 176.529 176.519 -0.181 0.000 0.927 999 W CA -0.381 56.791 57.345 -0.288 0.000 1.438 999 W CB -0.446 28.802 29.460 -0.355 0.000 1.085 999 W HN 0.205 nan 8.180 nan 0.000 0.532 1000 S N -0.884 114.651 115.700 -0.275 0.000 2.570 1000 S HA 0.622 5.105 4.470 0.022 0.000 0.270 1000 S C -3.115 171.397 174.600 -0.146 0.000 1.149 1000 S CA -1.663 56.448 58.200 -0.148 0.000 0.837 1000 S CB 1.627 64.783 63.200 -0.074 0.000 1.124 1000 S HN -0.228 nan 8.310 nan 0.000 0.465 1001 P HA 0.140 nan 4.420 nan 0.000 0.260 1001 P C 0.352 177.688 177.300 0.060 0.000 1.185 1001 P CA 0.135 63.242 63.100 0.013 0.000 0.763 1001 P CB 0.527 32.117 31.700 -0.183 0.000 0.776 1002 S N 0.788 116.559 115.700 0.117 0.000 2.780 1002 S HA 0.136 4.619 4.470 0.022 0.000 0.248 1002 S C 0.235 174.913 174.600 0.129 0.000 1.036 1002 S CA -0.324 57.919 58.200 0.072 0.000 1.061 1002 S CB -0.231 62.957 63.200 -0.020 0.000 1.037 1002 S HN 0.117 nan 8.310 nan 0.000 0.584 1003 V N 2.994 123.030 119.914 0.203 0.000 2.439 1003 V HA 0.342 4.475 4.120 0.022 0.000 0.271 1003 V C 0.829 177.066 176.094 0.238 0.000 1.040 1003 V CA -0.226 62.178 62.300 0.172 0.000 1.002 1003 V CB 0.834 32.696 31.823 0.066 0.000 1.000 1003 V HN 0.532 nan 8.190 nan 0.000 0.477 1004 S N 4.210 120.061 115.700 0.252 0.000 2.568 1004 S HA 0.253 4.736 4.470 0.022 0.000 0.282 1004 S C 1.563 176.299 174.600 0.226 0.000 1.338 1004 S CA 0.081 58.425 58.200 0.239 0.000 1.045 1004 S CB 1.071 64.440 63.200 0.282 0.000 0.873 1004 S HN 0.991 nan 8.310 nan 0.000 0.516 1005 A N 3.639 126.549 122.820 0.149 0.000 1.948 1005 A HA -0.159 4.175 4.320 0.022 0.000 0.220 1005 A C 2.029 179.633 177.584 0.034 0.000 1.177 1005 A CA 1.884 53.990 52.037 0.116 0.000 0.636 1005 A CB -0.691 18.357 19.000 0.080 0.000 0.815 1005 A HN 0.968 nan 8.150 nan 0.000 0.449 1006 E N -1.130 119.026 120.200 -0.074 0.000 2.409 1006 E HA -0.134 4.229 4.350 0.022 0.000 0.198 1006 E C 0.598 176.950 176.600 -0.412 0.000 1.024 1006 E CA 0.792 57.028 56.400 -0.274 0.000 0.861 1006 E CB -0.377 29.066 29.700 -0.427 0.000 0.788 1006 E HN 0.618 nan 8.360 nan 0.000 0.521 1007 F N 1.242 121.236 119.950 0.072 0.000 2.653 1007 F HA 0.306 4.847 4.527 0.022 0.000 0.304 1007 F C 0.763 176.590 175.800 0.046 0.000 1.092 1007 F CA -0.339 57.703 58.000 0.070 0.000 1.279 1007 F CB 0.415 39.458 39.000 0.071 0.000 1.044 1007 F HN -0.166 nan 8.300 nan 0.000 0.564 1008 Q N 0.860 120.753 119.800 0.155 0.000 2.230 1008 Q HA 0.430 4.783 4.340 0.022 0.000 0.253 1008 Q C -0.185 175.832 176.000 0.027 0.000 0.919 1008 Q CA -0.512 55.356 55.803 0.108 0.000 0.908 1008 Q CB 1.861 30.732 28.738 0.222 0.000 1.245 1008 Q HN 0.195 nan 8.270 nan 0.000 0.437 1009 L N 2.501 123.730 121.223 0.011 0.000 2.399 1009 L HA 0.116 4.469 4.340 0.022 0.000 0.257 1009 L C 0.582 177.432 176.870 -0.034 0.000 1.236 1009 L CA -0.036 54.796 54.840 -0.013 0.000 1.144 1009 L CB -0.389 41.551 42.059 -0.198 0.000 1.379 1009 L HN 0.678 nan 8.230 nan 0.000 0.414 1010 S N -1.217 114.366 115.700 -0.194 0.000 2.578 1010 S HA 0.157 4.640 4.470 0.022 0.000 0.231 1010 S C 1.676 176.220 174.600 -0.094 0.000 0.994 1010 S CA 0.161 58.105 58.200 -0.426 0.000 0.956 1010 S CB 0.773 63.513 63.200 -0.766 0.000 0.870 1010 S HN 0.513 nan 8.310 nan 0.000 0.494 1011 A N 1.699 124.492 122.820 -0.046 0.000 2.019 1011 A HA 0.393 4.727 4.320 0.022 0.000 0.219 1011 A C 2.152 179.588 177.584 -0.246 0.000 1.164 1011 A CA 1.506 53.370 52.037 -0.288 0.000 0.644 1011 A CB -1.291 17.261 19.000 -0.747 0.000 0.805 1011 A HN 1.507 nan 8.150 nan 0.000 0.449 1012 G N -1.604 107.146 108.800 -0.083 0.000 2.454 1012 G HA2 -0.279 3.694 3.960 0.022 0.000 0.225 1012 G HA3 -0.279 3.694 3.960 0.022 0.000 0.225 1012 G C 0.452 175.341 174.900 -0.018 0.000 1.138 1012 G CA 0.369 45.475 45.100 0.009 0.000 0.667 1012 G HN 0.692 nan 8.290 nan 0.000 0.512 1013 R N -0.370 119.990 120.500 -0.233 0.000 2.513 1013 R HA 0.668 5.022 4.340 0.022 0.000 0.301 1013 R C -1.565 174.472 176.300 -0.437 0.000 0.968 1013 R CA -0.576 55.430 56.100 -0.156 0.000 0.872 1013 R CB 1.513 31.765 30.300 -0.079 0.000 1.177 1013 R HN 0.241 nan 8.270 nan 0.000 0.444 1014 Y N 0.420 120.721 120.300 0.001 0.000 2.499 1014 Y HA 0.358 4.922 4.550 0.022 0.000 0.347 1014 Y C -0.334 175.719 175.900 0.256 0.000 0.987 1014 Y CA -0.813 57.260 58.100 -0.046 0.000 1.044 1014 Y CB 2.126 40.420 38.460 -0.276 0.000 1.245 1014 Y HN 0.578 nan 8.280 nan 0.000 0.461 1015 H N 2.517 121.865 119.070 0.464 0.000 2.771 1015 H HA 0.619 5.188 4.556 0.022 0.000 0.361 1015 H C -1.822 173.897 175.328 0.652 0.000 1.108 1015 H CA -0.927 55.383 56.048 0.436 0.000 1.201 1015 H CB 1.244 31.151 29.762 0.242 0.000 1.681 1015 H HN 0.543 nan 8.280 nan 0.000 0.534 1016 Y N 1.582 121.641 120.300 -0.402 0.000 2.592 1016 Y HA 0.424 4.987 4.550 0.022 0.000 0.334 1016 Y C -2.057 173.625 175.900 -0.363 0.000 1.136 1016 Y CA -1.123 56.819 58.100 -0.263 0.000 1.042 1016 Y CB 1.226 39.642 38.460 -0.073 0.000 1.325 1016 Y HN 0.772 nan 8.280 nan 0.000 0.457 1017 Q N 3.085 122.855 119.800 -0.050 0.000 2.315 1017 Q HA 0.819 5.172 4.340 0.022 0.000 0.273 1017 Q C -2.132 173.943 176.000 0.125 0.000 1.053 1017 Q CA -1.020 54.754 55.803 -0.049 0.000 0.817 1017 Q CB 3.213 31.961 28.738 0.016 0.000 1.326 1017 Q HN 0.844 nan 8.270 nan 0.000 0.423 1018 L N 1.169 122.454 121.223 0.104 0.000 2.333 1018 L HA 0.790 5.143 4.340 0.022 0.000 0.263 1018 L C -0.912 176.072 176.870 0.191 0.000 1.014 1018 L CA -1.374 53.572 54.840 0.178 0.000 0.820 1018 L CB 2.591 44.731 42.059 0.136 0.000 1.352 1018 L HN 0.478 nan 8.230 nan 0.000 0.421 1019 V N 0.509 120.565 119.914 0.238 0.000 2.483 1019 V HA 0.360 4.493 4.120 0.022 0.000 0.297 1019 V C -1.333 174.935 176.094 0.289 0.000 1.027 1019 V CA -0.417 62.025 62.300 0.236 0.000 0.855 1019 V CB 2.057 33.993 31.823 0.189 0.000 0.995 1019 V HN 0.598 nan 8.190 nan 0.000 0.424 1020 W N 7.114 128.475 121.300 0.101 0.000 2.376 1020 W HA 0.715 5.389 4.660 0.023 0.000 0.312 1020 W C -0.158 176.368 176.519 0.011 0.000 1.060 1020 W CA -1.059 56.271 57.345 -0.025 0.000 1.221 1020 W CB 1.388 30.897 29.460 0.082 0.000 1.281 1020 W HN 0.878 nan 8.180 nan 0.000 0.456 1021 C N 4.700 124.248 119.300 0.413 0.000 3.335 1021 C HA 0.692 5.165 4.460 0.022 0.000 0.356 1021 C C -0.531 174.584 174.990 0.209 0.000 1.570 1021 C CA -0.702 58.484 59.018 0.280 0.000 1.271 1021 C CB 1.827 29.671 27.740 0.173 0.000 1.873 1021 C HN 0.591 nan 8.230 nan 0.000 0.439 1022 Q N 0.000 119.874 119.800 0.124 0.000 2.315 1022 Q HA 0.000 4.353 4.340 0.022 0.000 0.214 1022 Q CA 0.000 55.826 55.803 0.039 0.000 1.022 1022 Q CB 0.000 28.742 28.738 0.007 0.000 1.108 1022 Q HN 0.000 nan 8.270 nan 0.000 0.481