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 3i3b_1_A DATA FIRST_RESID 13 DATA SEQUENCE RRDWENPGVT QLNRLAAHPP FASWRNSEEA RTDRPSQQLR SLNGEWRFAW DATA SEQUENCE FPAPEAVPES WLECDLPEAD TVVVPSNWQM HGYDAPIYTN VTYPITVNPP DATA SEQUENCE FVPTENPTGC YSLTFNVDES WLQEGQTRII FDGVNSAFHL WCNGRWVGYG DATA SEQUENCE QDSRLPSEFD LSAFLRAGEN RLAVMVLRWS DGSYLEDQDM WRMSGIFRDV DATA SEQUENCE SLLHKPTTQI SDFHVATRFN DDFSRAVLEA EVQMCGELRD YLRVTVSLWQ DATA SEQUENCE GETQVASGTA PFGGEIIDER GGYADRVTLR LNVENPKLWS AEIPNLYRAV DATA SEQUENCE VELHTADGTL IEAEACDVGF REVRIENGLL LLNGKPLLIR GVNRHEHHPL DATA SEQUENCE HGQVMDEQTM VQDILLMKQN NFNAVRCSHY PNHPLWYTLC DRYGLYVVDE DATA SEQUENCE ANIETHGMVP MNRLTDDPRW LPAMSERVTR MVQRDRNHPS VIIWSLGNES DATA SEQUENCE GHGANHDALY RWIKSVDPSR PVQYEGGGAD TTATDIICPM YARVDEDQPF DATA SEQUENCE PAVPKWSIKK WLSLPGETRP 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 K VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 13 R HA 0.000 nan 4.340 nan 0.000 0.208 13 R C 0.000 176.090 176.300 -0.349 0.000 0.893 13 R CA 0.000 55.970 56.100 -0.217 0.000 0.921 13 R CB 0.000 30.178 30.300 -0.203 0.000 0.687 14 R N 1.499 121.679 120.500 -0.533 0.000 3.059 14 R HA -0.173 4.174 4.340 0.012 0.000 0.251 14 R C -0.397 175.334 176.300 -0.949 0.000 0.886 14 R CA 0.717 56.069 56.100 -1.245 0.000 0.634 14 R CB -1.168 28.564 30.300 -0.946 0.000 1.282 14 R HN 0.280 nan 8.270 nan 0.000 0.487 15 D N 0.087 120.117 120.400 -0.616 0.000 2.264 15 D HA -0.160 4.487 4.640 0.012 0.000 0.208 15 D C 1.632 177.811 176.300 -0.202 0.000 0.966 15 D CA 1.619 55.356 54.000 -0.439 0.000 0.864 15 D CB -0.096 40.262 40.800 -0.737 0.000 0.933 15 D HN 0.742 nan 8.370 nan 0.000 0.499 16 W N 1.434 122.740 121.300 0.010 0.000 3.204 16 W HA 0.168 4.835 4.660 0.012 0.000 0.249 16 W C 0.556 177.175 176.519 0.166 0.000 1.322 16 W CA -0.156 57.311 57.345 0.202 0.000 1.593 16 W CB -0.240 29.379 29.460 0.264 0.000 1.122 16 W HN -0.182 nan 8.180 nan 0.000 0.710 17 E N 0.899 120.971 120.200 -0.213 0.000 3.105 17 E HA 0.039 4.396 4.350 0.012 0.000 0.198 17 E C -0.668 175.798 176.600 -0.224 0.000 0.976 17 E CA -0.194 56.118 56.400 -0.147 0.000 1.219 17 E CB -0.144 29.449 29.700 -0.177 0.000 1.081 17 E HN 0.029 nan 8.360 nan 0.000 0.464 18 N N 1.402 119.996 118.700 -0.178 0.000 2.558 18 N HA 0.141 4.888 4.740 0.012 0.000 0.285 18 N C -2.201 173.176 175.510 -0.222 0.000 1.112 18 N CA -2.025 50.886 53.050 -0.230 0.000 0.857 18 N CB 1.717 40.077 38.487 -0.212 0.000 1.376 18 N HN -0.172 nan 8.380 nan 0.000 0.526 19 P HA 0.057 nan 4.420 nan 0.000 0.233 19 P C 1.014 178.090 177.300 -0.374 0.000 1.167 19 P CA 0.534 63.313 63.100 -0.534 0.000 0.770 19 P CB 0.231 31.123 31.700 -1.347 0.000 0.837 20 G N -0.102 108.515 108.800 -0.306 0.000 2.650 20 G HA2 0.050 4.017 3.960 0.012 0.000 0.214 20 G HA3 0.050 4.017 3.960 0.012 0.000 0.214 20 G C 0.396 175.223 174.900 -0.122 0.000 1.136 20 G CA 0.202 45.176 45.100 -0.210 0.000 0.789 20 G HN 0.214 nan 8.290 nan 0.000 0.536 21 V N 1.520 121.380 119.914 -0.089 0.000 2.325 21 V HA 0.298 4.425 4.120 0.012 0.000 0.280 21 V C 0.776 176.932 176.094 0.104 0.000 1.016 21 V CA 0.060 62.359 62.300 -0.002 0.000 0.818 21 V CB 1.204 33.009 31.823 -0.030 0.000 1.019 21 V HN 0.300 nan 8.190 nan 0.000 0.434 22 T N 0.424 115.035 114.554 0.094 0.000 3.054 22 T HA 0.382 4.739 4.350 0.012 0.000 0.255 22 T C 0.256 175.008 174.700 0.086 0.000 1.035 22 T CA 0.129 62.291 62.100 0.103 0.000 0.941 22 T CB 0.282 69.168 68.868 0.029 0.000 1.026 22 T HN 0.719 nan 8.240 nan 0.000 0.533 23 Q N 0.252 120.151 119.800 0.166 0.000 2.776 23 Q HA 0.631 4.979 4.340 0.012 0.000 0.289 23 Q C -2.376 173.760 176.000 0.227 0.000 0.912 23 Q CA -1.002 54.891 55.803 0.150 0.000 0.789 23 Q CB 0.611 29.360 28.738 0.019 0.000 1.498 23 Q HN 0.225 nan 8.270 nan 0.000 0.408 24 L N 1.974 123.352 121.223 0.259 0.000 2.482 24 L HA 0.591 4.938 4.340 0.012 0.000 0.269 24 L C -0.650 176.345 176.870 0.208 0.000 0.967 24 L CA -0.827 54.175 54.840 0.271 0.000 0.851 24 L CB 1.841 44.176 42.059 0.461 0.000 1.242 24 L HN 0.857 nan 8.230 nan 0.000 0.404 25 N N 1.003 119.801 118.700 0.164 0.000 2.741 25 N HA -0.207 4.540 4.740 0.012 0.000 0.251 25 N C 0.175 175.786 175.510 0.167 0.000 1.112 25 N CA 0.799 53.933 53.050 0.140 0.000 0.750 25 N CB -0.776 37.751 38.487 0.065 0.000 1.119 25 N HN 0.665 nan 8.380 nan 0.000 0.561 26 R N 1.058 121.596 120.500 0.062 0.000 2.390 26 R HA 0.389 4.736 4.340 0.012 0.000 0.291 26 R C 0.587 176.768 176.300 -0.197 0.000 1.070 26 R CA -0.388 55.544 56.100 -0.279 0.000 1.014 26 R CB 0.559 30.677 30.300 -0.304 0.000 1.007 26 R HN 0.122 nan 8.270 nan 0.000 0.466 27 L N 3.078 124.148 121.223 -0.254 0.000 2.472 27 L HA 0.277 4.624 4.340 0.012 0.000 0.260 27 L C 0.794 177.610 176.870 -0.089 0.000 1.209 27 L CA -0.518 54.260 54.840 -0.104 0.000 0.817 27 L CB 0.609 42.638 42.059 -0.051 0.000 1.106 27 L HN 0.778 nan 8.230 nan 0.000 0.479 28 A N 1.211 124.023 122.820 -0.014 0.000 2.448 28 A HA 0.490 4.817 4.320 0.012 0.000 0.239 28 A C 0.277 177.843 177.584 -0.030 0.000 1.080 28 A CA 0.073 52.105 52.037 -0.009 0.000 0.779 28 A CB 0.183 19.207 19.000 0.039 0.000 1.026 28 A HN 0.804 nan 8.150 nan 0.000 0.499 29 A N 0.866 123.627 122.820 -0.098 0.000 2.304 29 A HA 0.713 5.041 4.320 0.012 0.000 0.271 29 A C 0.031 177.498 177.584 -0.195 0.000 1.091 29 A CA 0.387 52.281 52.037 -0.238 0.000 0.812 29 A CB 0.010 18.888 19.000 -0.203 0.000 1.056 29 A HN 1.958 nan 8.150 nan 0.000 0.489 30 H N -2.385 116.545 119.070 -0.233 0.000 2.950 30 H HA 0.619 5.182 4.556 0.012 0.000 0.307 30 H C -3.455 171.580 175.328 -0.487 0.000 1.403 30 H CA -1.811 54.031 56.048 -0.344 0.000 1.145 30 H CB -0.130 29.358 29.762 -0.458 0.000 1.844 30 H HN 0.372 nan 8.280 nan 0.000 0.515 31 P HA 0.198 nan 4.420 nan 0.000 0.273 31 P C -2.565 174.546 177.300 -0.315 0.000 1.250 31 P CA -1.238 61.642 63.100 -0.368 0.000 0.793 31 P CB -0.217 31.145 31.700 -0.563 0.000 1.011 32 P HA 0.033 nan 4.420 nan 0.000 0.260 32 P C -0.866 176.579 177.300 0.241 0.000 1.185 32 P CA 0.992 64.117 63.100 0.042 0.000 0.763 32 P CB -0.146 31.629 31.700 0.125 0.000 0.776 33 F N 2.137 122.184 119.950 0.160 0.000 2.483 33 F HA 0.625 5.159 4.527 0.012 0.000 0.329 33 F C 1.085 176.818 175.800 -0.113 0.000 1.064 33 F CA -1.261 56.765 58.000 0.044 0.000 0.986 33 F CB 1.225 40.192 39.000 -0.055 0.000 1.218 33 F HN 0.305 nan 8.300 nan 0.000 0.484 34 A N 0.144 122.896 122.820 -0.114 0.000 2.591 34 A HA 0.292 4.619 4.320 0.012 0.000 0.204 34 A C 0.645 177.877 177.584 -0.587 0.000 1.410 34 A CA 0.602 52.302 52.037 -0.561 0.000 1.065 34 A CB -0.428 17.726 19.000 -1.411 0.000 1.362 34 A HN 0.846 nan 8.150 nan 0.000 0.566 35 S N 0.651 116.135 115.700 -0.359 0.000 3.405 35 S HA -0.155 4.322 4.470 0.012 0.000 0.373 35 S C -0.015 174.483 174.600 -0.170 0.000 0.939 35 S CA 0.449 58.504 58.200 -0.242 0.000 1.295 35 S CB -1.562 61.496 63.200 -0.235 0.000 0.919 35 S HN 0.439 nan 8.310 nan 0.000 0.535 36 W N 2.082 123.362 121.300 -0.034 0.000 2.137 36 W HA 0.273 4.940 4.660 0.011 0.000 0.344 36 W C 1.347 177.845 176.519 -0.035 0.000 1.286 36 W CA -0.653 56.679 57.345 -0.022 0.000 1.240 36 W CB 0.292 29.741 29.460 -0.019 0.000 1.141 36 W HN 0.365 nan 8.180 nan 0.000 0.579 37 R N 1.746 122.372 120.500 0.211 0.000 2.509 37 R HA 0.092 4.439 4.340 0.012 0.000 0.300 37 R C -0.099 176.258 176.300 0.095 0.000 0.985 37 R CA -0.126 56.038 56.100 0.108 0.000 1.092 37 R CB -0.275 30.059 30.300 0.058 0.000 1.237 37 R HN 0.357 nan 8.270 nan 0.000 0.546 38 N N -0.075 118.700 118.700 0.124 0.000 2.454 38 N HA 0.116 4.863 4.740 0.012 0.000 0.291 38 N C -0.109 175.382 175.510 -0.033 0.000 1.079 38 N CA -0.012 53.061 53.050 0.038 0.000 0.893 38 N CB 1.848 40.355 38.487 0.033 0.000 1.512 38 N HN -0.254 nan 8.380 nan 0.000 0.497 39 S N 2.245 117.905 115.700 -0.067 0.000 2.402 39 S HA -0.149 4.329 4.470 0.012 0.000 0.229 39 S C 1.398 175.844 174.600 -0.257 0.000 1.021 39 S CA 1.018 59.138 58.200 -0.133 0.000 0.974 39 S CB 0.009 63.162 63.200 -0.078 0.000 0.800 39 S HN 0.742 nan 8.310 nan 0.000 0.484 40 E N 1.705 121.768 120.200 -0.229 0.000 2.106 40 E HA -0.139 4.218 4.350 0.012 0.000 0.192 40 E C 1.858 178.246 176.600 -0.354 0.000 0.984 40 E CA 1.132 57.357 56.400 -0.292 0.000 0.806 40 E CB -0.145 29.437 29.700 -0.198 0.000 0.750 40 E HN 0.299 nan 8.360 nan 0.000 0.458 41 E N 0.154 120.149 120.200 -0.342 0.000 2.072 41 E HA -0.110 4.247 4.350 0.012 0.000 0.191 41 E C 2.016 178.010 176.600 -1.010 0.000 0.985 41 E CA 1.119 57.253 56.400 -0.443 0.000 0.801 41 E CB -0.538 29.042 29.700 -0.200 0.000 0.750 41 E HN 0.376 nan 8.360 nan 0.000 0.452 42 A N 1.670 123.724 122.820 -1.277 0.000 1.902 42 A HA -0.201 4.126 4.320 0.012 0.000 0.217 42 A C 2.254 179.266 177.584 -0.954 0.000 1.181 42 A CA 1.717 52.721 52.037 -1.722 0.000 0.623 42 A CB -0.496 18.032 19.000 -0.786 0.000 0.818 42 A HN 0.141 nan 8.150 nan 0.000 0.443 43 R N -0.244 119.873 120.500 -0.638 0.000 2.070 43 R HA -0.146 4.201 4.340 0.012 0.000 0.233 43 R C 2.258 178.300 176.300 -0.429 0.000 1.137 43 R CA 2.304 58.085 56.100 -0.532 0.000 0.945 43 R CB -0.647 29.218 30.300 -0.725 0.000 0.845 43 R HN 0.624 nan 8.270 nan 0.000 0.430 44 T N -2.229 112.079 114.554 -0.410 0.000 3.072 44 T HA -0.068 4.289 4.350 0.012 0.000 0.266 44 T C 0.500 175.081 174.700 -0.198 0.000 1.127 44 T CA 0.963 62.904 62.100 -0.264 0.000 1.107 44 T CB -0.212 68.528 68.868 -0.214 0.000 0.910 44 T HN 0.506 nan 8.240 nan 0.000 0.513 45 D N 0.424 120.639 120.400 -0.308 0.000 2.870 45 D HA -0.162 4.485 4.640 0.012 0.000 0.228 45 D C 0.025 176.382 176.300 0.095 0.000 1.147 45 D CA 0.385 54.315 54.000 -0.117 0.000 0.757 45 D CB -1.228 39.584 40.800 0.021 0.000 1.091 45 D HN 0.584 nan 8.370 nan 0.000 0.429 46 R N -0.030 120.491 120.500 0.035 0.000 2.577 46 R HA 0.484 4.831 4.340 0.012 0.000 0.269 46 R C -2.085 174.448 176.300 0.388 0.000 1.084 46 R CA -1.420 54.772 56.100 0.153 0.000 1.163 46 R CB 0.211 30.550 30.300 0.065 0.000 1.100 46 R HN 0.074 nan 8.270 nan 0.000 0.547 47 P HA -0.092 nan 4.420 nan 0.000 0.266 47 P C -0.839 176.661 177.300 0.334 0.000 1.186 47 P CA 0.467 63.727 63.100 0.267 0.000 0.767 47 P CB 0.597 32.394 31.700 0.162 0.000 0.820 48 S N 1.335 117.115 115.700 0.132 0.000 2.449 48 S HA 0.151 4.628 4.470 0.012 0.000 0.310 48 S C 0.882 175.496 174.600 0.023 0.000 1.096 48 S CA -0.518 57.656 58.200 -0.044 0.000 1.095 48 S CB 0.560 63.351 63.200 -0.682 0.000 1.007 48 S HN 0.328 nan 8.310 nan 0.000 0.474 49 Q N 2.482 122.334 119.800 0.086 0.000 2.364 49 Q HA -0.088 4.259 4.340 0.012 0.000 0.207 49 Q C 0.942 177.065 176.000 0.206 0.000 0.970 49 Q CA 1.022 56.910 55.803 0.142 0.000 0.888 49 Q CB -0.014 28.808 28.738 0.141 0.000 0.951 49 Q HN 0.662 nan 8.270 nan 0.000 0.469 50 Q N -0.207 119.626 119.800 0.054 0.000 2.425 50 Q HA 0.088 4.435 4.340 0.012 0.000 0.204 50 Q C -0.466 175.589 176.000 0.092 0.000 0.933 50 Q CA 0.357 56.141 55.803 -0.033 0.000 0.939 50 Q CB 0.505 29.135 28.738 -0.179 0.000 1.044 50 Q HN 0.086 nan 8.270 nan 0.000 0.513 51 L N 0.993 122.277 121.223 0.100 0.000 2.324 51 L HA 0.404 4.751 4.340 0.012 0.000 0.274 51 L C -1.061 175.897 176.870 0.147 0.000 1.012 51 L CA -0.274 54.628 54.840 0.103 0.000 0.859 51 L CB 0.822 42.852 42.059 -0.047 0.000 1.224 51 L HN -0.116 nan 8.230 nan 0.000 0.429 52 R N 2.212 122.834 120.500 0.203 0.000 2.540 52 R HA 0.576 4.923 4.340 0.012 0.000 0.287 52 R C -0.501 175.824 176.300 0.041 0.000 0.980 52 R CA -0.635 55.524 56.100 0.099 0.000 0.966 52 R CB 1.913 32.225 30.300 0.021 0.000 1.106 52 R HN 0.608 nan 8.270 nan 0.000 0.480 53 S N 2.354 118.069 115.700 0.024 0.000 2.457 53 S HA 0.267 4.744 4.470 0.012 0.000 0.289 53 S C 0.607 175.210 174.600 0.006 0.000 1.163 53 S CA -0.680 57.527 58.200 0.012 0.000 1.078 53 S CB 0.531 63.748 63.200 0.029 0.000 0.987 53 S HN 0.553 nan 8.310 nan 0.000 0.482 54 L N 3.878 125.100 121.223 -0.002 0.000 2.653 54 L HA 0.277 4.624 4.340 0.012 0.000 0.231 54 L C 0.248 177.264 176.870 0.244 0.000 1.153 54 L CA -0.333 54.527 54.840 0.033 0.000 0.933 54 L CB -0.350 41.664 42.059 -0.075 0.000 1.175 54 L HN 0.518 nan 8.230 nan 0.000 0.473 55 N N 1.327 120.122 118.700 0.159 0.000 2.518 55 N HA 0.473 5.220 4.740 0.012 0.000 0.266 55 N C 0.587 176.229 175.510 0.220 0.000 1.196 55 N CA 0.875 54.029 53.050 0.173 0.000 0.947 55 N CB 1.444 39.964 38.487 0.055 0.000 1.098 55 N HN 0.294 nan 8.380 nan 0.000 0.450 56 G N 0.693 109.653 108.800 0.267 0.000 2.334 56 G HA2 -0.058 3.909 3.960 0.012 0.000 0.249 56 G HA3 -0.058 3.909 3.960 0.012 0.000 0.249 56 G C -1.634 173.490 174.900 0.374 0.000 1.327 56 G CA -0.815 44.431 45.100 0.243 0.000 0.979 56 G HN 0.462 nan 8.290 nan 0.000 0.471 57 E N 0.108 120.489 120.200 0.301 0.000 2.257 57 E HA 0.422 4.779 4.350 0.012 0.000 0.278 57 E C -0.880 175.978 176.600 0.431 0.000 1.049 57 E CA 0.005 56.594 56.400 0.315 0.000 0.876 57 E CB 0.976 30.781 29.700 0.174 0.000 1.035 57 E HN 0.354 nan 8.360 nan 0.000 0.419 58 W N 1.575 122.969 121.300 0.156 0.000 3.075 58 W HA 0.407 5.074 4.660 0.012 0.000 0.334 58 W C 0.168 176.815 176.519 0.213 0.000 1.288 58 W CA -0.761 56.707 57.345 0.206 0.000 1.095 58 W CB 0.751 30.390 29.460 0.297 0.000 1.564 58 W HN 0.168 nan 8.180 nan 0.000 0.629 59 R N 1.429 122.222 120.500 0.489 0.000 2.445 59 R HA 0.509 4.856 4.340 0.012 0.000 0.308 59 R C -1.507 175.025 176.300 0.386 0.000 0.961 59 R CA -0.858 55.452 56.100 0.350 0.000 0.862 59 R CB 1.219 31.674 30.300 0.258 0.000 1.144 59 R HN 0.404 nan 8.270 nan 0.000 0.447 60 F N 0.833 120.812 119.950 0.048 0.000 2.563 60 F HA 0.714 5.248 4.527 0.012 0.000 0.316 60 F C -1.240 174.382 175.800 -0.297 0.000 1.076 60 F CA -0.750 57.123 58.000 -0.211 0.000 0.921 60 F CB 2.096 40.874 39.000 -0.370 0.000 1.209 60 F HN 0.603 nan 8.300 nan 0.000 0.462 61 A N 4.205 126.126 122.820 -1.497 0.000 2.465 61 A HA 0.479 4.806 4.320 0.012 0.000 0.292 61 A C -2.382 174.228 177.584 -1.625 0.000 1.041 61 A CA -0.462 50.871 52.037 -1.174 0.000 0.718 61 A CB 0.338 18.952 19.000 -0.643 0.000 1.266 61 A HN 0.911 nan 8.150 nan 0.000 0.403 62 W N 2.797 123.220 121.300 -1.461 0.000 2.438 62 W HA 0.770 5.437 4.660 0.012 0.000 0.324 62 W C -1.720 174.117 176.519 -1.136 0.000 1.119 62 W CA -0.281 56.375 57.345 -1.148 0.000 1.221 62 W CB 1.024 30.095 29.460 -0.648 0.000 1.253 62 W HN 0.483 nan 8.180 nan 0.000 0.555 63 F N 6.397 125.600 119.950 -1.245 0.000 2.578 63 F HA 0.310 4.844 4.527 0.012 0.000 0.311 63 F C -1.219 173.711 175.800 -1.450 0.000 1.094 63 F CA -2.213 55.198 58.000 -0.981 0.000 0.923 63 F CB 1.990 40.584 39.000 -0.676 0.000 1.230 63 F HN 0.225 nan 8.300 nan 0.000 0.450 64 P HA 0.010 nan 4.420 nan 0.000 0.225 64 P C -0.175 176.989 177.300 -0.226 0.000 1.148 64 P CA 1.054 63.903 63.100 -0.419 0.000 0.779 64 P CB 0.725 32.443 31.700 0.030 0.000 0.780 65 A N -0.676 122.015 122.820 -0.214 0.000 2.608 65 A HA 0.505 4.832 4.320 0.012 0.000 0.292 65 A C -2.434 175.033 177.584 -0.195 0.000 1.066 65 A CA -1.026 50.931 52.037 -0.133 0.000 0.676 65 A CB 0.536 19.523 19.000 -0.022 0.000 1.277 65 A HN -0.261 nan 8.150 nan 0.000 0.413 66 P HA -0.101 nan 4.420 nan 0.000 0.222 66 P C 0.514 177.704 177.300 -0.184 0.000 1.147 66 P CA 1.356 64.308 63.100 -0.246 0.000 0.790 66 P CB 0.276 31.782 31.700 -0.324 0.000 0.780 67 E N 0.194 120.340 120.200 -0.091 0.000 2.418 67 E HA 0.033 4.390 4.350 0.012 0.000 0.197 67 E C 1.947 178.466 176.600 -0.134 0.000 1.026 67 E CA 0.796 57.157 56.400 -0.065 0.000 0.862 67 E CB -0.654 29.050 29.700 0.007 0.000 0.799 67 E HN 0.252 nan 8.360 nan 0.000 0.518 68 A N 0.349 123.049 122.820 -0.199 0.000 2.275 68 A HA 0.126 4.453 4.320 0.012 0.000 0.212 68 A C 0.592 177.819 177.584 -0.594 0.000 1.201 68 A CA -0.194 51.716 52.037 -0.211 0.000 0.843 68 A CB 0.329 19.314 19.000 -0.026 0.000 0.873 68 A HN 0.043 nan 8.150 nan 0.000 0.492 69 V N 3.498 122.936 119.914 -0.793 0.000 2.427 69 V HA 0.195 4.323 4.120 0.012 0.000 0.268 69 V C -1.976 173.764 176.094 -0.591 0.000 1.046 69 V CA -1.500 60.094 62.300 -1.176 0.000 0.970 69 V CB 0.552 31.820 31.823 -0.924 0.000 1.001 69 V HN 0.388 nan 8.190 nan 0.000 0.476 70 P HA 0.087 nan 4.420 nan 0.000 0.271 70 P C 0.671 177.907 177.300 -0.108 0.000 1.220 70 P CA -0.113 62.869 63.100 -0.196 0.000 0.768 70 P CB 1.078 32.718 31.700 -0.100 0.000 0.848 71 E N 2.711 122.858 120.200 -0.090 0.000 2.219 71 E HA -0.213 4.144 4.350 0.012 0.000 0.198 71 E C 1.470 178.030 176.600 -0.067 0.000 0.998 71 E CA 1.700 58.050 56.400 -0.083 0.000 0.818 71 E CB -0.031 29.628 29.700 -0.069 0.000 0.741 71 E HN 0.532 nan 8.360 nan 0.000 0.477 72 S N -0.204 115.479 115.700 -0.028 0.000 2.419 72 S HA -0.186 4.291 4.470 0.012 0.000 0.233 72 S C 1.625 176.230 174.600 0.009 0.000 1.016 72 S CA 0.763 58.955 58.200 -0.014 0.000 0.974 72 S CB -0.821 62.384 63.200 0.008 0.000 0.786 72 S HN 0.616 nan 8.310 nan 0.000 0.492 73 W N 2.635 123.839 121.300 -0.160 0.000 2.350 73 W HA -0.010 4.656 4.660 0.012 0.000 0.289 73 W C 1.571 177.982 176.519 -0.179 0.000 1.215 73 W CA 0.936 58.188 57.345 -0.155 0.000 1.236 73 W CB -0.448 28.893 29.460 -0.199 0.000 1.130 73 W HN 0.274 nan 8.180 nan 0.000 0.541 74 L N 0.184 121.138 121.223 -0.448 0.000 2.131 74 L HA -0.172 4.176 4.340 0.012 0.000 0.210 74 L C 2.494 179.118 176.870 -0.410 0.000 1.092 74 L CA 1.367 55.798 54.840 -0.680 0.000 0.759 74 L CB -0.693 40.998 42.059 -0.613 0.000 0.903 74 L HN -0.026 nan 8.230 nan 0.000 0.435 75 E N -1.364 118.690 120.200 -0.244 0.000 2.162 75 E HA 0.045 4.402 4.350 0.012 0.000 0.193 75 E C 0.314 176.845 176.600 -0.114 0.000 0.953 75 E CA 0.336 56.649 56.400 -0.144 0.000 0.849 75 E CB 0.445 30.092 29.700 -0.088 0.000 0.810 75 E HN 0.303 nan 8.360 nan 0.000 0.470 76 C N 1.897 121.142 119.300 -0.091 0.000 2.507 76 C HA 0.351 4.818 4.460 0.012 0.000 0.319 76 C C -0.410 174.579 174.990 -0.001 0.000 1.208 76 C CA -1.011 57.983 59.018 -0.041 0.000 1.619 76 C CB 0.951 28.683 27.740 -0.014 0.000 2.230 76 C HN 0.233 nan 8.230 nan 0.000 0.492 77 D N 2.926 123.340 120.400 0.024 0.000 2.493 77 D HA 0.164 4.811 4.640 0.012 0.000 0.240 77 D C -0.268 176.106 176.300 0.123 0.000 1.142 77 D CA 0.509 54.565 54.000 0.093 0.000 0.872 77 D CB 0.557 41.402 40.800 0.075 0.000 1.173 77 D HN 0.553 nan 8.370 nan 0.000 0.467 78 L N 5.811 127.153 121.223 0.198 0.000 2.360 78 L HA 0.200 4.547 4.340 0.012 0.000 0.276 78 L C -1.288 175.639 176.870 0.094 0.000 1.121 78 L CA -1.504 53.427 54.840 0.151 0.000 0.845 78 L CB 1.146 43.312 42.059 0.179 0.000 1.143 78 L HN 0.516 nan 8.230 nan 0.000 0.452 79 P HA -0.193 nan 4.420 nan 0.000 0.218 79 P C 1.065 178.388 177.300 0.037 0.000 1.149 79 P CA 0.919 64.048 63.100 0.048 0.000 0.817 79 P CB 0.140 31.864 31.700 0.039 0.000 0.785 80 E N -0.441 119.776 120.200 0.028 0.000 2.478 80 E HA 0.044 4.401 4.350 0.012 0.000 0.198 80 E C 0.564 177.150 176.600 -0.023 0.000 1.046 80 E CA -0.048 56.351 56.400 -0.002 0.000 0.870 80 E CB -0.337 29.349 29.700 -0.024 0.000 0.818 80 E HN 0.069 nan 8.360 nan 0.000 0.527 81 A N 1.146 123.965 122.820 -0.003 0.000 2.287 81 A HA 0.250 4.577 4.320 0.012 0.000 0.273 81 A C -0.338 177.282 177.584 0.060 0.000 1.091 81 A CA -0.463 51.568 52.037 -0.009 0.000 0.817 81 A CB 0.553 19.568 19.000 0.025 0.000 1.069 81 A HN 0.189 nan 8.150 nan 0.000 0.492 82 D N -0.498 119.967 120.400 0.108 0.000 2.450 82 D HA 0.493 5.140 4.640 0.012 0.000 0.238 82 D C -0.940 175.468 176.300 0.180 0.000 1.020 82 D CA -0.114 53.978 54.000 0.154 0.000 1.010 82 D CB 1.492 42.429 40.800 0.228 0.000 1.342 82 D HN 0.364 nan 8.370 nan 0.000 0.530 83 T N 0.659 115.305 114.554 0.152 0.000 2.753 83 T HA 0.469 4.826 4.350 0.012 0.000 0.297 83 T C 0.205 174.994 174.700 0.148 0.000 0.981 83 T CA -0.577 61.620 62.100 0.163 0.000 0.956 83 T CB 0.528 69.468 68.868 0.120 0.000 0.936 83 T HN 0.277 nan 8.240 nan 0.000 0.463 84 V N 1.611 121.649 119.914 0.207 0.000 3.046 84 V HA 0.817 4.944 4.120 0.012 0.000 0.316 84 V C -0.113 176.111 176.094 0.217 0.000 1.104 84 V CA -0.988 61.398 62.300 0.144 0.000 1.006 84 V CB 1.647 33.583 31.823 0.189 0.000 1.058 84 V HN 0.483 nan 8.190 nan 0.000 0.440 85 V N 2.078 122.097 119.914 0.175 0.000 2.732 85 V HA 0.585 4.712 4.120 0.012 0.000 0.297 85 V C 0.012 176.184 176.094 0.130 0.000 1.060 85 V CA -0.058 62.338 62.300 0.160 0.000 1.038 85 V CB 1.424 33.300 31.823 0.088 0.000 1.003 85 V HN 0.795 nan 8.190 nan 0.000 0.481 86 V N 5.475 125.384 119.914 -0.008 0.000 2.841 86 V HA 0.444 4.571 4.120 0.012 0.000 0.310 86 V C -2.363 173.619 176.094 -0.187 0.000 1.090 86 V CA -1.580 60.581 62.300 -0.232 0.000 0.930 86 V CB 2.510 33.853 31.823 -0.800 0.000 1.014 86 V HN 0.769 nan 8.190 nan 0.000 0.425 87 P HA 0.343 nan 4.420 nan 0.000 0.272 87 P C -0.610 176.611 177.300 -0.132 0.000 1.230 87 P CA 0.186 63.162 63.100 -0.206 0.000 0.788 87 P CB 1.353 32.947 31.700 -0.176 0.000 0.949 88 S N -0.061 115.569 115.700 -0.116 0.000 2.683 88 S HA 0.275 4.752 4.470 0.012 0.000 0.278 88 S C -1.466 173.039 174.600 -0.158 0.000 1.059 88 S CA -1.078 57.030 58.200 -0.153 0.000 0.847 88 S CB -0.127 62.928 63.200 -0.241 0.000 1.078 88 S HN 0.425 nan 8.310 nan 0.000 0.456 89 N N 1.122 119.671 118.700 -0.252 0.000 2.419 89 N HA 0.471 5.218 4.740 0.012 0.000 0.277 89 N C 0.619 175.938 175.510 -0.319 0.000 1.006 89 N CA -0.688 52.184 53.050 -0.296 0.000 0.923 89 N CB 0.623 38.909 38.487 -0.336 0.000 1.140 89 N HN 0.846 nan 8.380 nan 0.000 0.488 90 W N 2.166 123.314 121.300 -0.254 0.000 2.525 90 W HA -0.033 4.635 4.660 0.012 0.000 0.259 90 W C 0.925 177.400 176.519 -0.073 0.000 1.253 90 W CA 0.518 57.703 57.345 -0.267 0.000 1.262 90 W CB -0.346 28.917 29.460 -0.327 0.000 1.122 90 W HN 0.499 nan 8.180 nan 0.000 0.607 91 Q N 0.570 120.332 119.800 -0.062 0.000 2.167 91 Q HA -0.097 4.250 4.340 0.012 0.000 0.202 91 Q C 2.168 178.105 176.000 -0.106 0.000 0.970 91 Q CA 1.687 57.459 55.803 -0.053 0.000 0.855 91 Q CB -0.608 27.989 28.738 -0.236 0.000 0.911 91 Q HN 0.263 nan 8.270 nan 0.000 0.438 92 M N -0.726 118.772 119.600 -0.170 0.000 2.557 92 M HA -0.060 4.427 4.480 0.012 0.000 0.259 92 M C 0.660 176.997 176.300 0.061 0.000 1.086 92 M CA 1.368 56.594 55.300 -0.123 0.000 1.096 92 M CB -0.577 31.927 32.600 -0.159 0.000 1.424 92 M HN 0.384 nan 8.290 nan 0.000 0.488 93 H N -0.947 118.124 119.070 0.002 0.000 2.586 93 H HA 0.276 4.839 4.556 0.012 0.000 0.273 93 H C 1.237 176.444 175.328 -0.201 0.000 0.997 93 H CA 0.097 56.125 56.048 -0.033 0.000 1.177 93 H CB 0.457 30.280 29.762 0.102 0.000 1.471 93 H HN 0.547 nan 8.280 nan 0.000 0.538 94 G N 0.685 109.474 108.800 -0.020 0.000 2.143 94 G HA2 -0.367 3.600 3.960 0.012 0.000 0.249 94 G HA3 -0.367 3.600 3.960 0.012 0.000 0.249 94 G C 0.342 175.102 174.900 -0.234 0.000 0.981 94 G CA 0.380 45.404 45.100 -0.127 0.000 0.665 94 G HN 0.454 nan 8.290 nan 0.000 0.528 95 Y N 1.497 121.798 120.300 0.001 0.000 2.314 95 Y HA 0.209 4.766 4.550 0.012 0.000 0.293 95 Y C 1.679 177.322 175.900 -0.428 0.000 1.129 95 Y CA 1.551 59.536 58.100 -0.192 0.000 1.201 95 Y CB 0.268 38.686 38.460 -0.069 0.000 0.999 95 Y HN 0.642 nan 8.280 nan 0.000 0.541 96 D N -1.710 118.702 120.400 0.021 0.000 2.692 96 D HA 0.468 5.115 4.640 0.012 0.000 0.303 96 D C -1.242 175.112 176.300 0.089 0.000 1.278 96 D CA -0.806 53.198 54.000 0.008 0.000 0.852 96 D CB 1.144 42.069 40.800 0.209 0.000 1.375 96 D HN -0.096 nan 8.370 nan 0.000 0.453 97 A N 0.200 123.087 122.820 0.112 0.000 2.306 97 A HA 0.704 5.032 4.320 0.012 0.000 0.314 97 A C -2.401 175.211 177.584 0.047 0.000 1.164 97 A CA -1.269 50.815 52.037 0.079 0.000 0.822 97 A CB 0.573 19.680 19.000 0.179 0.000 1.130 97 A HN 0.507 nan 8.150 nan 0.000 0.496 98 P HA 0.380 nan 4.420 nan 0.000 0.280 98 P C -0.948 176.544 177.300 0.319 0.000 1.244 98 P CA 0.138 63.206 63.100 -0.053 0.000 0.784 98 P CB 0.856 32.254 31.700 -0.504 0.000 0.913 99 I N 3.643 124.460 120.570 0.410 0.000 2.378 99 I HA 0.218 4.395 4.170 0.012 0.000 0.291 99 I C -0.310 175.961 176.117 0.256 0.000 0.992 99 I CA -0.981 60.540 61.300 0.368 0.000 1.154 99 I CB 1.220 39.384 38.000 0.273 0.000 1.315 99 I HN 0.321 nan 8.210 nan 0.000 0.448 100 Y N 6.723 126.930 120.300 -0.155 0.000 2.491 100 Y HA 0.478 5.035 4.550 0.012 0.000 0.334 100 Y C -0.239 175.489 175.900 -0.287 0.000 0.969 100 Y CA -0.518 57.217 58.100 -0.608 0.000 1.241 100 Y CB 1.056 38.627 38.460 -1.482 0.000 1.105 100 Y HN 0.525 nan 8.280 nan 0.000 0.503 101 T N 4.907 118.950 114.554 -0.852 0.000 2.893 101 T HA 0.264 4.621 4.350 0.012 0.000 0.291 101 T C 0.279 174.534 174.700 -0.743 0.000 1.028 101 T CA -0.582 61.072 62.100 -0.743 0.000 0.995 101 T CB 1.180 69.843 68.868 -0.342 0.000 1.051 101 T HN 0.762 nan 8.240 nan 0.000 0.470 102 N N 2.615 120.955 118.700 -0.601 0.000 2.272 102 N HA 0.052 4.799 4.740 0.012 0.000 0.195 102 N C 1.507 176.818 175.510 -0.333 0.000 1.048 102 N CA 1.611 54.460 53.050 -0.334 0.000 0.912 102 N CB -0.617 37.778 38.487 -0.153 0.000 1.096 102 N HN 0.381 nan 8.380 nan 0.000 0.471 103 V N 0.146 119.802 119.914 -0.431 0.000 2.521 103 V HA 0.135 4.262 4.120 0.012 0.000 0.239 103 V C 0.319 176.134 176.094 -0.464 0.000 1.053 103 V CA 0.825 62.776 62.300 -0.582 0.000 1.073 103 V CB -0.674 30.691 31.823 -0.763 0.000 0.746 103 V HN 0.324 nan 8.190 nan 0.000 0.476 104 T N 1.438 115.786 114.554 -0.342 0.000 2.831 104 T HA 0.097 4.454 4.350 0.012 0.000 0.291 104 T C -0.342 174.240 174.700 -0.196 0.000 0.981 104 T CA 0.292 62.260 62.100 -0.221 0.000 1.174 104 T CB -0.361 68.408 68.868 -0.165 0.000 0.929 104 T HN 0.166 nan 8.240 nan 0.000 0.532 105 Y N 5.241 125.461 120.300 -0.133 0.000 2.702 105 Y HA 0.085 4.642 4.550 0.012 0.000 0.336 105 Y C -0.624 175.158 175.900 -0.197 0.000 1.235 105 Y CA -1.494 56.517 58.100 -0.148 0.000 1.492 105 Y CB 0.367 38.746 38.460 -0.134 0.000 1.308 105 Y HN 0.510 nan 8.280 nan 0.000 0.589 106 P HA -0.041 nan 4.420 nan 0.000 0.237 106 P C -0.233 176.830 177.300 -0.396 0.000 1.178 106 P CA 1.208 64.185 63.100 -0.204 0.000 0.766 106 P CB 0.099 31.706 31.700 -0.154 0.000 0.876 107 I N -5.177 115.143 120.570 -0.417 0.000 3.108 107 I HA 0.494 4.671 4.170 0.012 0.000 0.312 107 I C -0.599 175.400 176.117 -0.197 0.000 1.095 107 I CA -1.265 59.775 61.300 -0.434 0.000 1.000 107 I CB 1.705 39.299 38.000 -0.676 0.000 1.229 107 I HN -0.466 nan 8.210 nan 0.000 0.454 108 T N 2.661 117.143 114.554 -0.121 0.000 2.902 108 T HA 0.165 4.522 4.350 0.012 0.000 0.301 108 T C 0.178 174.883 174.700 0.007 0.000 1.012 108 T CA -0.231 61.850 62.100 -0.032 0.000 1.151 108 T CB 0.645 69.514 68.868 0.001 0.000 0.946 108 T HN 0.372 nan 8.240 nan 0.000 0.542 109 V N 4.906 124.837 119.914 0.028 0.000 2.390 109 V HA 0.199 4.326 4.120 0.012 0.000 0.260 109 V C 0.729 176.868 176.094 0.074 0.000 1.043 109 V CA -0.041 62.293 62.300 0.057 0.000 1.047 109 V CB -0.277 31.564 31.823 0.029 0.000 1.066 109 V HN 0.905 nan 8.190 nan 0.000 0.481 110 N N 5.687 124.474 118.700 0.145 0.000 2.725 110 N HA 0.209 4.956 4.740 0.012 0.000 0.225 110 N C -2.799 172.760 175.510 0.082 0.000 1.465 110 N CA -0.962 52.164 53.050 0.127 0.000 0.830 110 N CB 1.285 39.896 38.487 0.206 0.000 1.460 110 N HN 0.322 nan 8.380 nan 0.000 0.538 111 P HA 0.113 nan 4.420 nan 0.000 0.265 111 P C -2.191 174.911 177.300 -0.330 0.000 1.187 111 P CA -0.477 62.249 63.100 -0.623 0.000 0.766 111 P CB 0.737 31.948 31.700 -0.814 0.000 0.820 112 P HA 0.205 nan 4.420 nan 0.000 0.263 112 P C -0.375 176.875 177.300 -0.082 0.000 1.448 112 P CA -0.307 62.652 63.100 -0.235 0.000 0.983 112 P CB 0.082 31.597 31.700 -0.308 0.000 1.481 113 F N 1.451 121.529 119.950 0.213 0.000 2.418 113 F HA 0.231 4.765 4.527 0.012 0.000 0.341 113 F C 1.392 177.353 175.800 0.267 0.000 1.120 113 F CA -0.628 57.491 58.000 0.199 0.000 1.232 113 F CB 0.470 39.536 39.000 0.110 0.000 1.175 113 F HN -0.190 nan 8.300 nan 0.000 0.569 114 V N -0.398 119.779 119.914 0.438 0.000 3.158 114 V HA 0.710 4.837 4.120 0.012 0.000 0.315 114 V C -2.772 173.483 176.094 0.268 0.000 1.148 114 V CA -3.070 59.414 62.300 0.306 0.000 1.042 114 V CB 1.374 33.443 31.823 0.409 0.000 1.101 114 V HN 0.476 nan 8.190 nan 0.000 0.448 115 P HA 0.193 nan 4.420 nan 0.000 0.267 115 P C 1.089 178.534 177.300 0.242 0.000 1.205 115 P CA 0.482 63.681 63.100 0.166 0.000 0.765 115 P CB 0.726 32.492 31.700 0.111 0.000 0.828 116 T N -0.720 113.949 114.554 0.191 0.000 2.881 116 T HA -0.179 4.178 4.350 0.012 0.000 0.270 116 T C 0.732 175.540 174.700 0.180 0.000 1.068 116 T CA 0.942 63.158 62.100 0.193 0.000 1.131 116 T CB -0.483 68.462 68.868 0.129 0.000 0.871 116 T HN 0.410 nan 8.240 nan 0.000 0.479 117 E N 2.046 122.353 120.200 0.178 0.000 1.964 117 E HA 0.169 4.526 4.350 0.012 0.000 0.264 117 E C -0.715 176.029 176.600 0.240 0.000 1.120 117 E CA -0.419 56.086 56.400 0.175 0.000 1.061 117 E CB -0.185 29.622 29.700 0.177 0.000 1.190 117 E HN 0.208 nan 8.360 nan 0.000 0.459 118 N N 3.900 122.717 118.700 0.196 0.000 2.527 118 N HA 0.225 4.972 4.740 0.012 0.000 0.236 118 N C -2.735 172.793 175.510 0.031 0.000 0.999 118 N CA -2.279 50.904 53.050 0.222 0.000 0.935 118 N CB 1.108 39.693 38.487 0.163 0.000 1.132 118 N HN 0.130 nan 8.380 nan 0.000 0.511 119 P HA 0.004 nan 4.420 nan 0.000 0.261 119 P C -0.889 176.296 177.300 -0.193 0.000 1.183 119 P CA 0.540 63.582 63.100 -0.096 0.000 0.761 119 P CB 0.468 32.404 31.700 0.394 0.000 0.785 120 T N 2.864 117.054 114.554 -0.607 0.000 2.809 120 T HA 0.536 4.893 4.350 0.012 0.000 0.284 120 T C 0.266 174.470 174.700 -0.827 0.000 0.992 120 T CA -0.579 61.229 62.100 -0.487 0.000 0.957 120 T CB 1.476 70.102 68.868 -0.403 0.000 0.942 120 T HN 0.322 nan 8.240 nan 0.000 0.439 121 G N 1.228 109.606 108.800 -0.703 0.000 2.377 121 G HA2 0.448 4.415 3.960 0.012 0.000 0.316 121 G HA3 0.448 4.415 3.960 0.012 0.000 0.316 121 G C -0.100 174.570 174.900 -0.383 0.000 1.115 121 G CA -0.360 44.235 45.100 -0.842 0.000 0.952 121 G HN 0.875 nan 8.290 nan 0.000 0.441 122 C N 3.568 122.371 119.300 -0.828 0.000 2.227 122 C HA 0.398 4.865 4.460 0.012 0.000 0.333 122 C C -0.341 174.552 174.990 -0.163 0.000 1.145 122 C CA -0.915 57.733 59.018 -0.616 0.000 1.643 122 C CB -1.918 25.035 27.740 -1.312 0.000 2.185 122 C HN 0.617 nan 8.230 nan 0.000 0.497 123 Y N 2.043 122.597 120.300 0.425 0.000 2.352 123 Y HA 0.593 5.150 4.550 0.012 0.000 0.326 123 Y C 0.835 177.209 175.900 0.789 0.000 1.166 123 Y CA -0.129 58.361 58.100 0.649 0.000 1.182 123 Y CB 1.311 40.156 38.460 0.642 0.000 1.216 123 Y HN 0.664 nan 8.280 nan 0.000 0.474 124 S N 2.465 118.657 115.700 0.821 0.000 2.537 124 S HA 0.785 5.262 4.470 0.012 0.000 0.270 124 S C -1.902 172.805 174.600 0.178 0.000 1.142 124 S CA -0.810 57.666 58.200 0.459 0.000 0.870 124 S CB 2.013 65.424 63.200 0.351 0.000 1.112 124 S HN 0.620 nan 8.310 nan 0.000 0.466 125 L N 1.136 122.294 121.223 -0.109 0.000 2.543 125 L HA 0.687 5.034 4.340 0.012 0.000 0.265 125 L C -1.091 175.740 176.870 -0.065 0.000 0.945 125 L CA 0.110 54.730 54.840 -0.367 0.000 0.869 125 L CB 2.249 43.558 42.059 -1.251 0.000 1.294 125 L HN 0.890 nan 8.230 nan 0.000 0.405 126 T N 5.838 120.380 114.554 -0.021 0.000 2.744 126 T HA 0.689 5.046 4.350 0.012 0.000 0.291 126 T C -0.661 174.096 174.700 0.096 0.000 0.957 126 T CA 0.023 62.147 62.100 0.040 0.000 1.002 126 T CB 0.120 68.975 68.868 -0.021 0.000 0.919 126 T HN 0.429 nan 8.240 nan 0.000 0.468 127 F N 1.089 120.944 119.950 -0.158 0.000 2.675 127 F HA 0.787 5.321 4.527 0.012 0.000 0.324 127 F C -0.635 175.089 175.800 -0.127 0.000 1.106 127 F CA -2.017 55.890 58.000 -0.154 0.000 0.970 127 F CB 0.908 39.795 39.000 -0.187 0.000 1.385 127 F HN 0.331 nan 8.300 nan 0.000 0.489 128 N N -0.281 118.350 118.700 -0.116 0.000 2.487 128 N HA 0.673 5.420 4.740 0.012 0.000 0.292 128 N C -1.943 173.426 175.510 -0.234 0.000 1.108 128 N CA -0.451 52.471 53.050 -0.215 0.000 0.956 128 N CB 1.777 40.186 38.487 -0.129 0.000 1.176 128 N HN 0.621 nan 8.380 nan 0.000 0.484 129 V N 2.327 122.076 119.914 -0.275 0.000 2.567 129 V HA 0.238 4.365 4.120 0.012 0.000 0.298 129 V C -1.060 174.907 176.094 -0.211 0.000 1.047 129 V CA -1.021 61.115 62.300 -0.273 0.000 0.880 129 V CB 1.513 33.221 31.823 -0.192 0.000 1.009 129 V HN 0.711 nan 8.190 nan 0.000 0.429 130 D N 3.008 123.248 120.400 -0.266 0.000 2.389 130 D HA 0.069 4.716 4.640 0.012 0.000 0.247 130 D C 1.107 177.409 176.300 0.004 0.000 1.128 130 D CA 0.006 53.935 54.000 -0.119 0.000 0.884 130 D CB 2.052 42.791 40.800 -0.101 0.000 1.194 130 D HN 0.746 nan 8.370 nan 0.000 0.441 131 E N 1.689 121.899 120.200 0.016 0.000 2.147 131 E HA -0.269 4.089 4.350 0.012 0.000 0.199 131 E C 1.696 178.354 176.600 0.096 0.000 1.005 131 E CA 2.044 58.472 56.400 0.047 0.000 0.810 131 E CB -0.053 29.663 29.700 0.026 0.000 0.736 131 E HN 0.455 nan 8.360 nan 0.000 0.460 132 S N -1.094 114.673 115.700 0.113 0.000 2.419 132 S HA -0.187 4.290 4.470 0.012 0.000 0.235 132 S C 1.724 176.402 174.600 0.130 0.000 1.019 132 S CA 1.118 59.389 58.200 0.117 0.000 0.982 132 S CB -0.779 62.494 63.200 0.122 0.000 0.789 132 S HN 0.457 nan 8.310 nan 0.000 0.490 133 W N 1.428 122.656 121.300 -0.120 0.000 2.518 133 W HA 0.417 5.084 4.660 0.012 0.000 0.273 133 W C 1.837 178.386 176.519 0.051 0.000 1.247 133 W CA -0.147 57.105 57.345 -0.156 0.000 1.288 133 W CB -0.333 29.090 29.460 -0.063 0.000 1.107 133 W HN 0.290 nan 8.180 nan 0.000 0.586 134 L N -0.057 121.321 121.223 0.258 0.000 2.585 134 L HA 0.026 4.373 4.340 0.012 0.000 0.226 134 L C 2.251 179.200 176.870 0.131 0.000 1.113 134 L CA 0.277 55.231 54.840 0.190 0.000 0.876 134 L CB -0.440 41.703 42.059 0.139 0.000 1.072 134 L HN -0.077 nan 8.230 nan 0.000 0.468 135 Q N 1.279 121.146 119.800 0.111 0.000 2.049 135 Q HA -0.048 4.299 4.340 0.012 0.000 0.198 135 Q C 0.412 176.459 176.000 0.079 0.000 0.971 135 Q CA 1.083 56.931 55.803 0.075 0.000 0.833 135 Q CB 0.249 29.020 28.738 0.055 0.000 0.896 135 Q HN 0.673 nan 8.270 nan 0.000 0.434 136 E N -1.646 118.618 120.200 0.107 0.000 2.445 136 E HA 0.566 4.923 4.350 0.012 0.000 0.273 136 E C 0.129 176.844 176.600 0.192 0.000 0.961 136 E CA -0.576 55.890 56.400 0.111 0.000 0.807 136 E CB 1.563 31.311 29.700 0.081 0.000 1.362 136 E HN 0.112 nan 8.360 nan 0.000 0.453 137 G N 0.571 109.412 108.800 0.069 0.000 2.641 137 G HA2 -0.326 3.641 3.960 0.012 0.000 0.254 137 G HA3 -0.326 3.641 3.960 0.012 0.000 0.254 137 G C -0.643 174.187 174.900 -0.116 0.000 1.315 137 G CA 0.341 45.384 45.100 -0.095 0.000 0.907 137 G HN 0.757 nan 8.290 nan 0.000 0.572 138 Q N -0.528 119.077 119.800 -0.326 0.000 2.331 138 Q HA 0.618 4.965 4.340 0.012 0.000 0.267 138 Q C -0.999 174.896 176.000 -0.176 0.000 1.006 138 Q CA -0.448 55.257 55.803 -0.164 0.000 0.818 138 Q CB 1.449 30.113 28.738 -0.124 0.000 1.276 138 Q HN 0.576 nan 8.270 nan 0.000 0.450 139 T N 5.082 119.690 114.554 0.091 0.000 2.772 139 T HA 0.454 4.811 4.350 0.012 0.000 0.288 139 T C -0.628 174.207 174.700 0.226 0.000 0.994 139 T CA -0.610 61.646 62.100 0.261 0.000 0.951 139 T CB 0.487 69.653 68.868 0.496 0.000 0.933 139 T HN 0.643 nan 8.240 nan 0.000 0.447 140 R N 3.091 123.708 120.500 0.195 0.000 2.854 140 R HA 0.782 5.129 4.340 0.012 0.000 0.271 140 R C -1.155 175.247 176.300 0.169 0.000 0.996 140 R CA -0.982 55.221 56.100 0.171 0.000 0.961 140 R CB 1.538 31.911 30.300 0.121 0.000 1.182 140 R HN 0.556 nan 8.270 nan 0.000 0.479 141 I N 2.625 123.289 120.570 0.157 0.000 2.441 141 I HA 0.441 4.618 4.170 0.012 0.000 0.295 141 I C -1.116 175.040 176.117 0.064 0.000 0.994 141 I CA -1.340 60.002 61.300 0.070 0.000 1.144 141 I CB 1.462 39.498 38.000 0.060 0.000 1.314 141 I HN 0.628 nan 8.210 nan 0.000 0.445 142 I N 7.233 127.749 120.570 -0.091 0.000 2.418 142 I HA 0.294 4.471 4.170 0.012 0.000 0.287 142 I C -1.266 174.706 176.117 -0.242 0.000 1.008 142 I CA -0.426 60.831 61.300 -0.071 0.000 1.104 142 I CB 1.526 39.496 38.000 -0.050 0.000 1.264 142 I HN 0.400 nan 8.210 nan 0.000 0.438 143 F N 4.559 124.487 119.950 -0.036 0.000 2.308 143 F HA 0.267 4.801 4.527 0.012 0.000 0.370 143 F C 1.288 176.963 175.800 -0.209 0.000 1.100 143 F CA -0.468 57.443 58.000 -0.148 0.000 1.108 143 F CB 0.711 39.592 39.000 -0.198 0.000 1.293 143 F HN 0.459 nan 8.300 nan 0.000 0.478 144 D N 2.314 122.621 120.400 -0.155 0.000 2.218 144 D HA 0.009 4.656 4.640 0.012 0.000 0.204 144 D C 1.066 177.173 176.300 -0.323 0.000 0.976 144 D CA 1.002 54.860 54.000 -0.236 0.000 0.853 144 D CB 0.331 40.937 40.800 -0.322 0.000 0.939 144 D HN 0.607 nan 8.370 nan 0.000 0.481 145 G N -0.431 108.111 108.800 -0.431 0.000 2.552 145 G HA2 0.444 4.411 3.960 0.012 0.000 0.288 145 G HA3 0.444 4.411 3.960 0.012 0.000 0.288 145 G C -1.445 173.163 174.900 -0.486 0.000 1.358 145 G CA -0.417 44.298 45.100 -0.641 0.000 1.305 145 G HN -0.053 nan 8.290 nan 0.000 0.602 146 V N 2.772 122.584 119.914 -0.170 0.000 2.482 146 V HA 0.465 4.592 4.120 0.012 0.000 0.295 146 V C -0.712 175.423 176.094 0.067 0.000 1.026 146 V CA -1.255 60.949 62.300 -0.160 0.000 0.856 146 V CB 1.838 33.270 31.823 -0.652 0.000 1.001 146 V HN 0.675 nan 8.190 nan 0.000 0.424 147 N N 2.604 121.353 118.700 0.080 0.000 2.457 147 N HA 0.293 5.040 4.740 0.012 0.000 0.250 147 N C 0.691 176.131 175.510 -0.115 0.000 0.982 147 N CA 0.239 53.254 53.050 -0.058 0.000 0.941 147 N CB 1.986 40.292 38.487 -0.303 0.000 1.120 147 N HN 0.765 nan 8.380 nan 0.000 0.505 148 S N 1.582 117.258 115.700 -0.039 0.000 2.604 148 S HA 0.524 5.001 4.470 0.012 0.000 0.235 148 S C 0.271 174.934 174.600 0.105 0.000 1.043 148 S CA -0.273 57.949 58.200 0.036 0.000 0.997 148 S CB 0.517 63.747 63.200 0.050 0.000 0.956 148 S HN 0.565 nan 8.310 nan 0.000 0.535 149 A N 1.117 124.017 122.820 0.132 0.000 2.572 149 A HA 0.820 5.148 4.320 0.012 0.000 0.295 149 A C -1.257 176.455 177.584 0.214 0.000 1.072 149 A CA -0.903 51.201 52.037 0.112 0.000 0.691 149 A CB 1.160 20.267 19.000 0.180 0.000 1.291 149 A HN 1.047 nan 8.150 nan 0.000 0.404 150 F N -0.537 119.258 119.950 -0.258 0.000 2.719 150 F HA 0.733 5.267 4.527 0.012 0.000 0.309 150 F C -1.318 174.375 175.800 -0.179 0.000 1.138 150 F CA -0.834 57.090 58.000 -0.126 0.000 0.943 150 F CB 0.987 39.895 39.000 -0.154 0.000 1.304 150 F HN 0.609 nan 8.300 nan 0.000 0.445 151 H N 1.785 120.908 119.070 0.087 0.000 2.524 151 H HA 0.731 5.294 4.556 0.012 0.000 0.353 151 H C -1.493 173.664 175.328 -0.286 0.000 1.136 151 H CA -0.725 55.225 56.048 -0.163 0.000 1.193 151 H CB 2.491 32.182 29.762 -0.119 0.000 1.558 151 H HN 0.803 nan 8.280 nan 0.000 0.515 152 L N 3.047 123.924 121.223 -0.578 0.000 2.365 152 L HA 0.428 4.775 4.340 0.012 0.000 0.273 152 L C -1.608 174.878 176.870 -0.641 0.000 1.000 152 L CA -0.496 54.076 54.840 -0.447 0.000 0.819 152 L CB 1.352 43.036 42.059 -0.625 0.000 1.284 152 L HN 0.497 nan 8.230 nan 0.000 0.418 153 W N 4.474 125.698 121.300 -0.127 0.000 2.915 153 W HA 0.553 5.220 4.660 0.012 0.000 0.337 153 W C -1.241 175.220 176.519 -0.096 0.000 1.102 153 W CA -0.779 56.500 57.345 -0.110 0.000 1.224 153 W CB 2.041 31.463 29.460 -0.062 0.000 1.416 153 W HN 0.582 nan 8.180 nan 0.000 0.503 154 C N 5.282 124.681 119.300 0.165 0.000 2.381 154 C HA 0.308 4.775 4.460 0.012 0.000 0.328 154 C C 0.272 175.402 174.990 0.233 0.000 1.190 154 C CA -0.304 58.816 59.018 0.170 0.000 1.369 154 C CB -0.677 27.120 27.740 0.095 0.000 2.029 154 C HN 0.795 nan 8.230 nan 0.000 0.448 155 N N 3.686 122.474 118.700 0.146 0.000 2.740 155 N HA -0.188 4.559 4.740 0.012 0.000 0.248 155 N C 0.952 176.520 175.510 0.097 0.000 1.062 155 N CA 1.894 54.999 53.050 0.092 0.000 0.704 155 N CB -1.311 37.235 38.487 0.098 0.000 0.968 155 N HN 1.807 nan 8.380 nan 0.000 0.547 156 G N -1.012 107.836 108.800 0.079 0.000 2.184 156 G HA2 -0.369 3.598 3.960 0.012 0.000 0.264 156 G HA3 -0.369 3.598 3.960 0.012 0.000 0.264 156 G C 0.102 175.147 174.900 0.242 0.000 0.975 156 G CA 0.668 45.806 45.100 0.063 0.000 0.642 156 G HN 0.565 nan 8.290 nan 0.000 0.536 157 R N -0.974 119.747 120.500 0.368 0.000 2.338 157 R HA 0.408 4.755 4.340 0.012 0.000 0.317 157 R C -0.220 176.425 176.300 0.576 0.000 0.968 157 R CA -0.913 55.487 56.100 0.499 0.000 0.849 157 R CB 1.046 31.656 30.300 0.517 0.000 1.128 157 R HN 0.213 nan 8.270 nan 0.000 0.448 158 W N 4.334 125.855 121.300 0.368 0.000 2.381 158 W HA 0.038 4.705 4.660 0.012 0.000 0.321 158 W C 0.112 176.559 176.519 -0.120 0.000 1.407 158 W CA 0.076 57.349 57.345 -0.121 0.000 1.274 158 W CB 0.568 29.943 29.460 -0.142 0.000 1.310 158 W HN 0.363 nan 8.180 nan 0.000 0.551 159 V N 5.823 125.026 119.914 -1.186 0.000 2.398 159 V HA 0.483 4.610 4.120 0.012 0.000 0.236 159 V C 1.174 176.266 176.094 -1.671 0.000 1.054 159 V CA 1.315 62.840 62.300 -1.292 0.000 1.060 159 V CB -0.751 30.359 31.823 -1.189 0.000 0.707 159 V HN 0.744 nan 8.190 nan 0.000 0.480 160 G N -2.306 105.369 108.800 -1.875 0.000 2.634 160 G HA2 0.522 4.489 3.960 0.012 0.000 0.309 160 G HA3 0.522 4.489 3.960 0.012 0.000 0.309 160 G C -2.375 172.027 174.900 -0.830 0.000 1.299 160 G CA -0.314 43.951 45.100 -1.391 0.000 0.798 160 G HN 0.026 nan 8.290 nan 0.000 0.490 161 Y N -0.672 119.351 120.300 -0.462 0.000 2.581 161 Y HA 0.733 5.290 4.550 0.012 0.000 0.345 161 Y C -0.010 175.650 175.900 -0.400 0.000 1.036 161 Y CA -0.246 57.555 58.100 -0.499 0.000 1.042 161 Y CB 2.357 40.696 38.460 -0.200 0.000 1.289 161 Y HN 1.139 nan 8.280 nan 0.000 0.471 162 G N 3.116 111.021 108.800 -1.492 0.000 2.732 162 G HA2 0.555 4.522 3.960 0.012 0.000 0.296 162 G HA3 0.555 4.522 3.960 0.012 0.000 0.296 162 G C -2.185 172.286 174.900 -0.715 0.000 1.448 162 G CA -0.814 43.772 45.100 -0.857 0.000 0.911 162 G HN 0.637 nan 8.290 nan 0.000 0.528 163 Q N -0.311 119.322 119.800 -0.279 0.000 2.683 163 Q HA 0.596 4.943 4.340 0.012 0.000 0.302 163 Q C -1.433 174.580 176.000 0.023 0.000 1.042 163 Q CA -0.790 54.963 55.803 -0.084 0.000 0.773 163 Q CB 2.736 31.464 28.738 -0.017 0.000 1.508 163 Q HN 0.696 nan 8.270 nan 0.000 0.459 164 D N -0.228 120.215 120.400 0.071 0.000 4.303 164 D HA -0.094 4.553 4.640 0.012 0.000 0.230 164 D C -0.541 175.815 176.300 0.093 0.000 1.172 164 D CA 0.559 54.610 54.000 0.085 0.000 1.001 164 D CB -0.529 40.305 40.800 0.056 0.000 0.641 164 D HN 0.540 nan 8.370 nan 0.000 0.296 165 S N 3.317 119.083 115.700 0.110 0.000 2.507 165 S HA -0.068 4.409 4.470 0.012 0.000 0.235 165 S C 1.504 176.225 174.600 0.202 0.000 0.988 165 S CA 0.542 58.834 58.200 0.154 0.000 0.944 165 S CB 0.249 63.506 63.200 0.096 0.000 0.762 165 S HN 0.453 nan 8.310 nan 0.000 0.526 166 R N 0.377 120.953 120.500 0.127 0.000 2.577 166 R HA 0.444 4.791 4.340 0.012 0.000 0.344 166 R C -0.507 175.837 176.300 0.073 0.000 1.037 166 R CA 0.053 56.224 56.100 0.118 0.000 1.102 166 R CB 0.064 30.454 30.300 0.149 0.000 1.313 166 R HN 0.323 nan 8.270 nan 0.000 0.561 167 L N 1.660 122.896 121.223 0.022 0.000 2.409 167 L HA 0.479 4.826 4.340 0.012 0.000 0.262 167 L C -2.387 174.446 176.870 -0.061 0.000 0.992 167 L CA -2.225 52.602 54.840 -0.021 0.000 0.817 167 L CB 3.299 45.346 42.059 -0.020 0.000 1.350 167 L HN -0.183 nan 8.230 nan 0.000 0.411 168 P HA 0.061 nan 4.420 nan 0.000 0.268 168 P C -0.903 176.343 177.300 -0.090 0.000 1.205 168 P CA -0.130 62.907 63.100 -0.104 0.000 0.771 168 P CB 1.096 32.706 31.700 -0.151 0.000 0.858 169 S N 1.854 117.547 115.700 -0.012 0.000 2.596 169 S HA 0.299 4.776 4.470 0.012 0.000 0.318 169 S C -0.431 174.074 174.600 -0.158 0.000 1.097 169 S CA -0.550 57.608 58.200 -0.071 0.000 1.080 169 S CB 0.916 64.238 63.200 0.204 0.000 0.991 169 S HN 0.383 nan 8.310 nan 0.000 0.471 170 E N 1.873 121.799 120.200 -0.457 0.000 2.195 170 E HA 0.609 4.966 4.350 0.012 0.000 0.271 170 E C -1.374 174.781 176.600 -0.741 0.000 0.923 170 E CA -0.528 55.653 56.400 -0.365 0.000 0.790 170 E CB 1.451 31.071 29.700 -0.133 0.000 1.155 170 E HN 0.407 nan 8.360 nan 0.000 0.402 171 F N 0.651 120.649 119.950 0.080 0.000 2.578 171 F HA 0.210 4.744 4.527 0.012 0.000 0.311 171 F C -0.103 175.714 175.800 0.027 0.000 1.094 171 F CA -1.086 56.922 58.000 0.014 0.000 0.923 171 F CB 1.564 40.537 39.000 -0.046 0.000 1.230 171 F HN 0.260 nan 8.300 nan 0.000 0.450 172 D N 2.934 123.451 120.400 0.195 0.000 2.339 172 D HA 0.259 4.906 4.640 0.012 0.000 0.241 172 D C 0.247 176.665 176.300 0.197 0.000 1.183 172 D CA 0.206 54.308 54.000 0.170 0.000 0.859 172 D CB 0.958 41.848 40.800 0.150 0.000 1.067 172 D HN 0.574 nan 8.370 nan 0.000 0.484 173 L N 2.759 124.111 121.223 0.213 0.000 2.667 173 L HA 0.054 4.401 4.340 0.012 0.000 0.232 173 L C 2.116 179.202 176.870 0.360 0.000 1.138 173 L CA -0.206 54.793 54.840 0.266 0.000 0.921 173 L CB 0.099 42.288 42.059 0.217 0.000 1.180 173 L HN 0.248 nan 8.230 nan 0.000 0.487 174 S N 1.403 117.275 115.700 0.287 0.000 2.372 174 S HA -0.257 4.220 4.470 0.012 0.000 0.227 174 S C 1.990 176.712 174.600 0.203 0.000 1.044 174 S CA 1.861 60.197 58.200 0.227 0.000 1.050 174 S CB -0.122 63.173 63.200 0.158 0.000 0.901 174 S HN 0.565 nan 8.310 nan 0.000 0.447 175 A N -0.727 122.218 122.820 0.208 0.000 2.251 175 A HA 0.374 4.701 4.320 0.012 0.000 0.209 175 A C 1.180 178.701 177.584 -0.105 0.000 1.187 175 A CA 0.194 52.244 52.037 0.021 0.000 0.823 175 A CB -0.375 18.570 19.000 -0.093 0.000 0.846 175 A HN 0.464 nan 8.150 nan 0.000 0.486 176 F N -0.633 119.363 119.950 0.076 0.000 2.694 176 F HA 0.355 4.889 4.527 0.012 0.000 0.292 176 F C 0.783 176.623 175.800 0.066 0.000 1.121 176 F CA -0.237 57.806 58.000 0.072 0.000 1.352 176 F CB 0.011 39.060 39.000 0.081 0.000 1.107 176 F HN -0.027 nan 8.300 nan 0.000 0.597 177 L N 1.469 122.846 121.223 0.257 0.000 2.456 177 L HA 0.458 4.805 4.340 0.012 0.000 0.257 177 L C 0.196 177.108 176.870 0.070 0.000 1.162 177 L CA -0.562 54.366 54.840 0.147 0.000 0.808 177 L CB 0.875 43.034 42.059 0.168 0.000 1.136 177 L HN 0.084 nan 8.230 nan 0.000 0.466 178 R N 0.826 121.328 120.500 0.003 0.000 2.774 178 R HA 0.771 5.118 4.340 0.012 0.000 0.272 178 R C -1.166 175.102 176.300 -0.053 0.000 1.000 178 R CA -0.885 55.205 56.100 -0.017 0.000 0.906 178 R CB 1.520 31.802 30.300 -0.030 0.000 1.227 178 R HN 0.556 nan 8.270 nan 0.000 0.468 179 A N 1.252 124.050 122.820 -0.037 0.000 2.498 179 A HA 0.506 4.833 4.320 0.012 0.000 0.239 179 A C 1.144 178.675 177.584 -0.088 0.000 1.068 179 A CA 1.064 53.070 52.037 -0.051 0.000 0.766 179 A CB -0.582 18.402 19.000 -0.026 0.000 1.003 179 A HN 1.438 nan 8.150 nan 0.000 0.497 180 G N 1.638 110.370 108.800 -0.113 0.000 2.742 180 G HA2 -0.167 3.800 3.960 0.012 0.000 0.255 180 G HA3 -0.167 3.800 3.960 0.012 0.000 0.255 180 G C -0.118 174.662 174.900 -0.199 0.000 1.322 180 G CA 0.248 45.271 45.100 -0.129 0.000 0.967 180 G HN 0.963 nan 8.290 nan 0.000 0.556 181 E N 1.667 121.750 120.200 -0.196 0.000 2.231 181 E HA 0.576 4.933 4.350 0.012 0.000 0.277 181 E C -0.437 175.961 176.600 -0.338 0.000 0.999 181 E CA -0.636 55.604 56.400 -0.266 0.000 0.827 181 E CB 1.175 30.773 29.700 -0.172 0.000 1.101 181 E HN 0.436 nan 8.360 nan 0.000 0.393 182 N N 1.736 120.097 118.700 -0.565 0.000 2.357 182 N HA 0.384 5.131 4.740 0.012 0.000 0.284 182 N C -1.166 174.139 175.510 -0.342 0.000 1.236 182 N CA -0.719 52.000 53.050 -0.551 0.000 0.774 182 N CB 2.593 40.526 38.487 -0.923 0.000 1.534 182 N HN 0.301 nan 8.380 nan 0.000 0.478 183 R N 1.476 121.951 120.500 -0.042 0.000 2.502 183 R HA 0.483 4.830 4.340 0.012 0.000 0.300 183 R C -1.219 175.186 176.300 0.175 0.000 0.984 183 R CA -0.472 55.683 56.100 0.092 0.000 0.882 183 R CB 0.942 31.235 30.300 -0.012 0.000 1.180 183 R HN 0.487 nan 8.270 nan 0.000 0.444 184 L N 2.975 124.323 121.223 0.210 0.000 2.357 184 L HA 0.732 5.079 4.340 0.012 0.000 0.273 184 L C -0.215 176.718 176.870 0.106 0.000 1.080 184 L CA -0.859 54.080 54.840 0.165 0.000 0.803 184 L CB 1.891 44.010 42.059 0.101 0.000 1.174 184 L HN 0.790 nan 8.230 nan 0.000 0.443 185 A N 2.949 125.851 122.820 0.138 0.000 2.411 185 A HA 0.668 4.995 4.320 0.012 0.000 0.285 185 A C -1.093 176.768 177.584 0.462 0.000 1.129 185 A CA -0.409 51.624 52.037 -0.006 0.000 0.736 185 A CB 1.243 19.843 19.000 -0.667 0.000 1.186 185 A HN 0.351 nan 8.150 nan 0.000 0.445 186 V N 3.438 123.798 119.914 0.745 0.000 2.378 186 V HA 0.448 4.575 4.120 0.012 0.000 0.288 186 V C 0.093 176.750 176.094 0.938 0.000 1.016 186 V CA -0.291 62.460 62.300 0.753 0.000 0.840 186 V CB 1.444 33.542 31.823 0.458 0.000 0.994 186 V HN 0.946 nan 8.190 nan 0.000 0.431 187 M N 6.193 126.358 119.600 0.942 0.000 2.111 187 M HA 0.470 4.957 4.480 0.012 0.000 0.351 187 M C -1.218 175.355 176.300 0.454 0.000 1.214 187 M CA -0.338 55.336 55.300 0.623 0.000 1.120 187 M CB 0.846 33.869 32.600 0.706 0.000 1.443 187 M HN 0.473 nan 8.290 nan 0.000 0.429 188 V N 6.797 126.953 119.914 0.405 0.000 2.406 188 V HA 0.298 4.425 4.120 0.012 0.000 0.272 188 V C 0.018 176.295 176.094 0.305 0.000 1.043 188 V CA -0.509 62.025 62.300 0.391 0.000 0.915 188 V CB 1.056 33.196 31.823 0.528 0.000 0.988 188 V HN 0.778 nan 8.190 nan 0.000 0.466 189 L N 5.263 126.593 121.223 0.178 0.000 2.292 189 L HA 0.494 4.841 4.340 0.012 0.000 0.284 189 L C 1.545 178.440 176.870 0.042 0.000 1.065 189 L CA -0.251 54.612 54.840 0.039 0.000 0.806 189 L CB 1.120 43.101 42.059 -0.129 0.000 1.175 189 L HN 0.608 nan 8.230 nan 0.000 0.431 190 R N 2.806 123.282 120.500 -0.040 0.000 2.066 190 R HA -0.040 4.307 4.340 0.012 0.000 0.232 190 R C -0.374 175.604 176.300 -0.537 0.000 1.131 190 R CA 1.189 57.034 56.100 -0.425 0.000 0.955 190 R CB 0.217 30.125 30.300 -0.654 0.000 0.851 190 R HN 0.561 nan 8.270 nan 0.000 0.432 191 W N 0.289 121.658 121.300 0.115 0.000 2.606 191 W HA 0.416 5.083 4.660 0.012 0.000 0.332 191 W C -0.342 176.295 176.519 0.196 0.000 1.052 191 W CA -0.794 56.622 57.345 0.119 0.000 1.223 191 W CB 1.769 31.298 29.460 0.115 0.000 1.383 191 W HN 0.019 nan 8.180 nan 0.000 0.524 192 S N -1.016 114.963 115.700 0.465 0.000 2.643 192 S HA 0.192 4.669 4.470 0.012 0.000 0.270 192 S C 0.079 174.912 174.600 0.388 0.000 1.166 192 S CA -0.493 57.992 58.200 0.474 0.000 0.815 192 S CB 1.143 64.606 63.200 0.438 0.000 1.139 192 S HN 0.629 nan 8.310 nan 0.000 0.472 193 D N 0.410 121.053 120.400 0.405 0.000 2.311 193 D HA 0.054 4.701 4.640 0.012 0.000 0.212 193 D C 1.667 178.287 176.300 0.535 0.000 0.972 193 D CA 1.264 55.563 54.000 0.499 0.000 0.887 193 D CB -0.639 40.328 40.800 0.278 0.000 0.915 193 D HN 0.717 nan 8.370 nan 0.000 0.497 194 G N -0.156 108.870 108.800 0.375 0.000 2.534 194 G HA2 -0.179 3.788 3.960 0.012 0.000 0.217 194 G HA3 -0.179 3.788 3.960 0.012 0.000 0.217 194 G C 1.616 176.689 174.900 0.289 0.000 1.128 194 G CA 0.445 45.740 45.100 0.324 0.000 0.784 194 G HN 0.298 nan 8.290 nan 0.000 0.542 195 S N 0.023 115.870 115.700 0.246 0.000 2.423 195 S HA -0.057 4.420 4.470 0.012 0.000 0.231 195 S C 1.836 176.518 174.600 0.137 0.000 1.014 195 S CA 0.468 58.784 58.200 0.194 0.000 0.965 195 S CB -0.340 62.988 63.200 0.212 0.000 0.785 195 S HN 0.491 nan 8.310 nan 0.000 0.495 196 Y N 1.293 121.709 120.300 0.193 0.000 2.497 196 Y HA 0.115 4.672 4.550 0.012 0.000 0.292 196 Y C 1.509 177.498 175.900 0.148 0.000 1.137 196 Y CA 0.538 58.661 58.100 0.039 0.000 1.285 196 Y CB -0.287 38.050 38.460 -0.204 0.000 0.991 196 Y HN 0.208 nan 8.280 nan 0.000 0.556 197 L N -0.164 121.237 121.223 0.297 0.000 2.769 197 L HA 0.183 4.530 4.340 0.012 0.000 0.240 197 L C -0.105 176.902 176.870 0.228 0.000 1.163 197 L CA 0.337 55.314 54.840 0.228 0.000 0.962 197 L CB 0.059 42.251 42.059 0.222 0.000 1.258 197 L HN 0.132 nan 8.230 nan 0.000 0.513 198 E N -0.020 120.331 120.200 0.252 0.000 4.044 198 E HA 0.062 4.419 4.350 0.012 0.000 0.216 198 E C -0.666 176.054 176.600 0.200 0.000 1.104 198 E CA -0.049 56.485 56.400 0.224 0.000 1.383 198 E CB 0.624 30.444 29.700 0.201 0.000 1.195 198 E HN 0.025 nan 8.360 nan 0.000 0.442 199 D N 1.409 121.892 120.400 0.139 0.000 3.072 199 D HA 0.049 4.696 4.640 0.012 0.000 0.250 199 D C -0.363 175.940 176.300 0.005 0.000 1.304 199 D CA -0.192 53.784 54.000 -0.039 0.000 0.861 199 D CB 0.182 40.706 40.800 -0.460 0.000 1.062 199 D HN 0.014 nan 8.370 nan 0.000 0.481 200 Q N 0.514 120.402 119.800 0.146 0.000 2.352 200 Q HA 0.154 4.501 4.340 0.012 0.000 0.260 200 Q C -0.173 175.946 176.000 0.198 0.000 0.976 200 Q CA -0.160 55.793 55.803 0.250 0.000 0.881 200 Q CB 0.793 29.826 28.738 0.492 0.000 1.235 200 Q HN 0.104 nan 8.270 nan 0.000 0.419 201 D N 3.637 124.166 120.400 0.216 0.000 2.482 201 D HA 0.115 4.762 4.640 0.012 0.000 0.244 201 D C -0.693 175.742 176.300 0.226 0.000 1.242 201 D CA 0.242 54.343 54.000 0.168 0.000 1.097 201 D CB -0.402 40.482 40.800 0.140 0.000 1.109 201 D HN 0.522 nan 8.370 nan 0.000 0.510 202 M N 0.297 119.997 119.600 0.167 0.000 3.147 202 M HA 0.388 4.875 4.480 0.012 0.000 0.276 202 M C -1.375 175.004 176.300 0.132 0.000 1.211 202 M CA -1.160 54.177 55.300 0.062 0.000 0.820 202 M CB 0.990 33.513 32.600 -0.129 0.000 1.621 202 M HN -0.087 nan 8.290 nan 0.000 0.507 203 W N 2.082 123.455 121.300 0.121 0.000 2.251 203 W HA 0.351 5.018 4.660 0.012 0.000 0.327 203 W C 0.199 176.729 176.519 0.019 0.000 1.361 203 W CA -0.015 57.395 57.345 0.108 0.000 1.234 203 W CB 0.390 29.855 29.460 0.008 0.000 1.212 203 W HN 0.277 nan 8.180 nan 0.000 0.557 204 R N 5.003 125.666 120.500 0.271 0.000 2.235 204 R HA 0.369 4.716 4.340 0.012 0.000 0.338 204 R C -0.117 176.191 176.300 0.014 0.000 1.087 204 R CA -0.169 56.020 56.100 0.148 0.000 0.948 204 R CB -0.038 30.428 30.300 0.276 0.000 1.099 204 R HN 0.564 nan 8.270 nan 0.000 0.483 205 M N 0.230 119.732 119.600 -0.164 0.000 2.758 205 M HA 0.516 5.003 4.480 0.012 0.000 0.281 205 M C 0.101 176.066 176.300 -0.559 0.000 1.082 205 M CA -0.746 54.339 55.300 -0.359 0.000 0.866 205 M CB 1.906 34.285 32.600 -0.368 0.000 1.662 205 M HN 0.621 nan 8.290 nan 0.000 0.515 206 S N -1.343 113.902 115.700 -0.758 0.000 2.615 206 S HA 0.877 5.354 4.470 0.012 0.000 0.268 206 S C -0.655 173.436 174.600 -0.849 0.000 1.146 206 S CA -0.243 57.439 58.200 -0.864 0.000 0.818 206 S CB 1.426 63.950 63.200 -1.127 0.000 1.111 206 S HN 1.522 nan 8.310 nan 0.000 0.465 207 G N 0.054 108.584 108.800 -0.451 0.000 2.373 207 G HA2 0.152 4.119 3.960 0.012 0.000 0.634 207 G HA3 0.152 4.119 3.960 0.012 0.000 0.634 207 G C -1.184 173.685 174.900 -0.052 0.000 1.267 207 G CA -0.576 44.529 45.100 0.008 0.000 1.008 207 G HN 1.292 nan 8.290 nan 0.000 0.497 208 I N 2.135 122.532 120.570 -0.288 0.000 2.227 208 I HA 0.224 4.401 4.170 0.012 0.000 0.297 208 I C 1.369 177.354 176.117 -0.221 0.000 1.173 208 I CA -0.220 60.835 61.300 -0.409 0.000 1.356 208 I CB -0.334 37.190 38.000 -0.793 0.000 1.485 208 I HN 0.486 nan 8.210 nan 0.000 0.604 209 F N 3.261 123.047 119.950 -0.273 0.000 2.797 209 F HA 0.379 4.913 4.527 0.012 0.000 0.302 209 F C 0.722 176.430 175.800 -0.154 0.000 1.130 209 F CA -0.448 57.427 58.000 -0.209 0.000 1.387 209 F CB -0.257 38.627 39.000 -0.193 0.000 1.107 209 F HN 0.123 nan 8.300 nan 0.000 0.577 210 R N 0.321 120.429 120.500 -0.654 0.000 2.912 210 R HA 0.232 4.579 4.340 0.012 0.000 0.262 210 R C -0.653 175.434 176.300 -0.356 0.000 1.057 210 R CA -1.136 54.653 56.100 -0.518 0.000 0.981 210 R CB 0.870 30.734 30.300 -0.727 0.000 1.201 210 R HN -0.030 nan 8.270 nan 0.000 0.484 211 D N 0.949 121.188 120.400 -0.268 0.000 2.478 211 D HA 0.059 4.706 4.640 0.012 0.000 0.234 211 D C -0.387 175.766 176.300 -0.245 0.000 1.154 211 D CA 0.539 54.420 54.000 -0.199 0.000 0.874 211 D CB 0.709 41.434 40.800 -0.125 0.000 1.198 211 D HN -0.015 nan 8.370 nan 0.000 0.455 212 V N 1.205 120.980 119.914 -0.232 0.000 2.555 212 V HA 0.584 4.711 4.120 0.012 0.000 0.302 212 V C 0.177 176.139 176.094 -0.219 0.000 1.038 212 V CA -0.526 61.565 62.300 -0.349 0.000 0.887 212 V CB 1.786 33.402 31.823 -0.346 0.000 0.991 212 V HN 0.796 nan 8.190 nan 0.000 0.434 213 S N 4.065 119.617 115.700 -0.246 0.000 2.625 213 S HA 0.837 5.314 4.470 0.012 0.000 0.271 213 S C -1.587 172.962 174.600 -0.084 0.000 1.161 213 S CA -0.816 57.313 58.200 -0.119 0.000 0.820 213 S CB 1.988 65.156 63.200 -0.053 0.000 1.137 213 S HN 0.432 nan 8.310 nan 0.000 0.470 214 L N 1.498 122.732 121.223 0.019 0.000 2.349 214 L HA 0.751 5.098 4.340 0.012 0.000 0.278 214 L C -1.297 175.767 176.870 0.323 0.000 0.996 214 L CA -0.623 54.306 54.840 0.148 0.000 0.825 214 L CB 1.460 43.586 42.059 0.111 0.000 1.243 214 L HN 0.830 nan 8.230 nan 0.000 0.412 215 L N 4.306 125.705 121.223 0.293 0.000 2.346 215 L HA 0.513 4.860 4.340 0.012 0.000 0.276 215 L C -1.069 175.856 176.870 0.091 0.000 1.006 215 L CA -0.166 54.792 54.840 0.196 0.000 0.817 215 L CB 1.347 43.467 42.059 0.102 0.000 1.272 215 L HN 0.603 nan 8.230 nan 0.000 0.421 216 H N 5.248 124.120 119.070 -0.329 0.000 2.504 216 H HA 0.479 5.042 4.556 0.012 0.000 0.322 216 H C -1.288 173.821 175.328 -0.364 0.000 1.055 216 H CA -0.650 55.060 56.048 -0.563 0.000 1.231 216 H CB 1.133 30.030 29.762 -1.442 0.000 1.417 216 H HN 0.549 nan 8.280 nan 0.000 0.472 217 K N 5.392 125.396 120.400 -0.660 0.000 2.328 217 K HA 0.384 4.711 4.320 0.012 0.000 0.246 217 K C -2.716 173.578 176.600 -0.510 0.000 0.955 217 K CA -2.038 53.977 56.287 -0.452 0.000 0.817 217 K CB 2.156 34.476 32.500 -0.301 0.000 1.208 217 K HN 0.470 nan 8.250 nan 0.000 0.432 218 P HA 0.146 nan 4.420 nan 0.000 0.274 218 P C 0.521 177.720 177.300 -0.169 0.000 1.246 218 P CA -0.137 62.847 63.100 -0.193 0.000 0.795 218 P CB 0.526 32.163 31.700 -0.104 0.000 1.006 219 T N -1.133 113.356 114.554 -0.109 0.000 2.746 219 T HA -0.054 4.303 4.350 0.012 0.000 0.267 219 T C 0.607 175.259 174.700 -0.080 0.000 1.039 219 T CA 1.570 63.620 62.100 -0.082 0.000 1.142 219 T CB -0.586 68.255 68.868 -0.044 0.000 0.866 219 T HN 0.412 nan 8.240 nan 0.000 0.444 220 T N 3.884 118.397 114.554 -0.069 0.000 2.762 220 T HA 0.397 4.754 4.350 0.012 0.000 0.303 220 T C -0.144 174.502 174.700 -0.090 0.000 0.977 220 T CA -0.599 61.455 62.100 -0.076 0.000 0.961 220 T CB 0.499 69.344 68.868 -0.038 0.000 0.944 220 T HN 0.447 nan 8.240 nan 0.000 0.481 221 Q N 2.969 122.698 119.800 -0.118 0.000 2.528 221 Q HA 0.602 4.949 4.340 0.012 0.000 0.289 221 Q C -1.199 174.721 176.000 -0.133 0.000 1.091 221 Q CA -1.145 54.572 55.803 -0.144 0.000 0.797 221 Q CB 1.503 30.127 28.738 -0.190 0.000 1.466 221 Q HN 0.465 nan 8.270 nan 0.000 0.436 222 I N 2.678 123.139 120.570 -0.182 0.000 2.337 222 I HA 0.058 4.235 4.170 0.012 0.000 0.291 222 I C 0.759 176.771 176.117 -0.175 0.000 1.046 222 I CA -0.185 61.040 61.300 -0.125 0.000 1.324 222 I CB 1.298 39.194 38.000 -0.172 0.000 1.409 222 I HN 0.844 nan 8.210 nan 0.000 0.494 223 S N 2.702 118.413 115.700 0.017 0.000 2.503 223 S HA 0.165 4.642 4.470 0.012 0.000 0.215 223 S C 0.214 175.029 174.600 0.358 0.000 1.003 223 S CA -0.174 58.107 58.200 0.135 0.000 0.910 223 S CB 0.223 63.464 63.200 0.068 0.000 0.790 223 S HN 0.717 nan 8.310 nan 0.000 0.514 224 D N -0.307 120.301 120.400 0.348 0.000 2.728 224 D HA 0.514 5.161 4.640 0.012 0.000 0.249 224 D C -1.995 174.496 176.300 0.319 0.000 1.225 224 D CA -0.724 53.465 54.000 0.316 0.000 0.748 224 D CB 1.603 42.459 40.800 0.093 0.000 1.326 224 D HN 0.192 nan 8.370 nan 0.000 0.426 225 F N -0.468 119.534 119.950 0.086 0.000 2.639 225 F HA 0.520 5.054 4.527 0.012 0.000 0.320 225 F C -1.688 174.198 175.800 0.143 0.000 1.128 225 F CA -0.735 57.278 58.000 0.022 0.000 1.037 225 F CB 0.851 39.907 39.000 0.093 0.000 1.288 225 F HN 0.245 nan 8.300 nan 0.000 0.463 226 H N 2.473 121.595 119.070 0.086 0.000 2.469 226 H HA 0.774 5.337 4.556 0.012 0.000 0.342 226 H C -1.143 174.216 175.328 0.052 0.000 1.115 226 H CA -1.530 54.510 56.048 -0.014 0.000 1.204 226 H CB 2.625 32.366 29.762 -0.035 0.000 1.492 226 H HN 0.593 nan 8.280 nan 0.000 0.499 227 V N 2.359 122.352 119.914 0.132 0.000 2.448 227 V HA 0.640 4.767 4.120 0.012 0.000 0.295 227 V C -0.245 175.827 176.094 -0.036 0.000 1.025 227 V CA -0.574 61.759 62.300 0.055 0.000 0.859 227 V CB 1.240 33.093 31.823 0.050 0.000 0.988 227 V HN 0.925 nan 8.190 nan 0.000 0.431 228 A N 3.308 126.084 122.820 -0.073 0.000 2.454 228 A HA 0.972 5.299 4.320 0.012 0.000 0.302 228 A C -0.210 177.251 177.584 -0.205 0.000 1.079 228 A CA -0.524 51.447 52.037 -0.109 0.000 0.731 228 A CB 2.139 21.102 19.000 -0.061 0.000 1.299 228 A HN 0.933 nan 8.150 nan 0.000 0.413 229 T N -0.161 114.249 114.554 -0.241 0.000 2.881 229 T HA 0.705 5.062 4.350 0.012 0.000 0.291 229 T C -0.565 173.876 174.700 -0.432 0.000 0.990 229 T CA -0.740 61.107 62.100 -0.422 0.000 0.976 229 T CB 0.963 69.452 68.868 -0.631 0.000 0.970 229 T HN 0.719 nan 8.240 nan 0.000 0.438 230 R N 2.107 122.295 120.500 -0.520 0.000 2.732 230 R HA 0.794 5.141 4.340 0.012 0.000 0.278 230 R C -1.137 174.753 176.300 -0.684 0.000 0.976 230 R CA -0.818 55.055 56.100 -0.377 0.000 0.963 230 R CB 1.428 31.630 30.300 -0.164 0.000 1.150 230 R HN 0.530 nan 8.270 nan 0.000 0.478 231 F N 0.159 120.068 119.950 -0.067 0.000 2.611 231 F HA 0.328 4.862 4.527 0.010 0.000 0.324 231 F C 0.539 176.191 175.800 -0.247 0.000 1.061 231 F CA -1.217 56.682 58.000 -0.169 0.000 0.954 231 F CB 0.901 39.688 39.000 -0.355 0.000 1.301 231 F HN 0.517 nan 8.300 nan 0.000 0.482 232 N N 0.009 118.680 118.700 -0.049 0.000 2.405 232 N HA 0.071 4.818 4.740 0.012 0.000 0.269 232 N C 0.448 175.834 175.510 -0.208 0.000 1.249 232 N CA -0.145 52.851 53.050 -0.090 0.000 0.974 232 N CB 0.132 38.596 38.487 -0.038 0.000 1.204 232 N HN 0.677 nan 8.380 nan 0.000 0.565 233 D N -0.917 119.409 120.400 -0.125 0.000 2.133 233 D HA -0.255 4.392 4.640 0.012 0.000 0.195 233 D C 0.492 176.742 176.300 -0.084 0.000 0.997 233 D CA 1.667 55.600 54.000 -0.112 0.000 0.840 233 D CB -0.588 40.198 40.800 -0.023 0.000 0.947 233 D HN 0.741 nan 8.370 nan 0.000 0.452 234 D N -1.343 119.054 120.400 -0.005 0.000 2.388 234 D HA -0.010 4.637 4.640 0.012 0.000 0.221 234 D C 0.090 176.575 176.300 0.308 0.000 1.133 234 D CA -0.893 53.209 54.000 0.169 0.000 0.831 234 D CB -1.019 39.860 40.800 0.130 0.000 0.962 234 D HN 0.195 nan 8.370 nan 0.000 0.502 235 F N 0.354 120.358 119.950 0.090 0.000 3.069 235 F HA -0.297 4.236 4.527 0.011 0.000 0.285 235 F C 1.725 177.606 175.800 0.134 0.000 0.827 235 F CA 0.854 58.925 58.000 0.118 0.000 1.108 235 F CB -2.540 36.436 39.000 -0.041 0.000 1.252 235 F HN 0.222 nan 8.300 nan 0.000 0.483 236 S N -1.362 114.451 115.700 0.190 0.000 2.501 236 S HA 0.223 4.701 4.470 0.012 0.000 0.220 236 S C 0.730 175.391 174.600 0.100 0.000 0.997 236 S CA 0.107 58.386 58.200 0.132 0.000 0.919 236 S CB 0.415 63.668 63.200 0.088 0.000 0.778 236 S HN 0.459 nan 8.310 nan 0.000 0.523 237 R N 0.106 120.668 120.500 0.104 0.000 2.725 237 R HA 0.807 5.154 4.340 0.012 0.000 0.277 237 R C -1.377 174.959 176.300 0.061 0.000 0.987 237 R CA -0.297 55.835 56.100 0.054 0.000 0.901 237 R CB 2.310 32.618 30.300 0.014 0.000 1.207 237 R HN 0.271 nan 8.270 nan 0.000 0.463 238 A N 1.473 124.284 122.820 -0.016 0.000 2.587 238 A HA 0.706 5.033 4.320 0.012 0.000 0.293 238 A C -1.466 176.050 177.584 -0.113 0.000 1.087 238 A CA -0.614 51.344 52.037 -0.132 0.000 0.692 238 A CB 2.048 20.956 19.000 -0.154 0.000 1.291 238 A HN 0.331 nan 8.150 nan 0.000 0.407 239 V N 1.533 121.342 119.914 -0.175 0.000 2.487 239 V HA 0.482 4.609 4.120 0.012 0.000 0.298 239 V C -0.520 175.494 176.094 -0.132 0.000 1.028 239 V CA -0.396 61.837 62.300 -0.113 0.000 0.860 239 V CB 1.485 33.243 31.823 -0.108 0.000 0.991 239 V HN 0.804 nan 8.190 nan 0.000 0.427 240 L N 4.719 125.902 121.223 -0.067 0.000 2.272 240 L HA 0.604 4.951 4.340 0.012 0.000 0.289 240 L C -0.118 176.700 176.870 -0.087 0.000 1.032 240 L CA -0.084 54.688 54.840 -0.113 0.000 0.810 240 L CB 1.050 43.078 42.059 -0.051 0.000 1.205 240 L HN 0.672 nan 8.230 nan 0.000 0.422 241 E N 4.411 124.555 120.200 -0.095 0.000 2.158 241 E HA 0.580 4.937 4.350 0.012 0.000 0.271 241 E C -1.060 175.525 176.600 -0.024 0.000 0.911 241 E CA -0.706 55.661 56.400 -0.054 0.000 0.767 241 E CB 2.015 31.685 29.700 -0.050 0.000 1.120 241 E HN 0.678 nan 8.360 nan 0.000 0.405 242 A N 3.863 126.680 122.820 -0.006 0.000 2.310 242 A HA 0.264 4.591 4.320 0.012 0.000 0.304 242 A C -0.513 177.086 177.584 0.025 0.000 1.231 242 A CA -0.618 51.443 52.037 0.039 0.000 0.799 242 A CB 0.846 19.872 19.000 0.044 0.000 1.162 242 A HN 0.660 nan 8.150 nan 0.000 0.486 243 E N 2.702 122.926 120.200 0.040 0.000 2.174 243 E HA 0.528 4.885 4.350 0.012 0.000 0.282 243 E C -1.308 175.289 176.600 -0.006 0.000 0.992 243 E CA -0.319 56.071 56.400 -0.017 0.000 0.803 243 E CB 1.115 30.778 29.700 -0.062 0.000 1.090 243 E HN 0.382 nan 8.360 nan 0.000 0.396 244 V N 4.649 124.565 119.914 0.003 0.000 2.604 244 V HA 0.296 4.423 4.120 0.012 0.000 0.305 244 V C -0.456 175.717 176.094 0.131 0.000 1.043 244 V CA -0.788 61.558 62.300 0.077 0.000 0.888 244 V CB 1.761 33.607 31.823 0.038 0.000 0.995 244 V HN 0.739 nan 8.190 nan 0.000 0.429 245 Q N 4.504 124.384 119.800 0.134 0.000 2.337 245 Q HA 0.790 5.137 4.340 0.012 0.000 0.266 245 Q C -0.676 175.387 176.000 0.105 0.000 1.023 245 Q CA -0.587 55.283 55.803 0.112 0.000 0.829 245 Q CB 2.703 31.437 28.738 -0.006 0.000 1.306 245 Q HN 0.874 nan 8.270 nan 0.000 0.449 246 M N -0.821 118.771 119.600 -0.013 0.000 2.716 246 M HA 0.818 5.306 4.480 0.012 0.000 0.307 246 M C -1.278 174.921 176.300 -0.168 0.000 1.223 246 M CA -0.631 54.577 55.300 -0.155 0.000 0.871 246 M CB 1.974 34.280 32.600 -0.491 0.000 1.739 246 M HN 0.527 nan 8.290 nan 0.000 0.475 247 C N 0.864 120.076 119.300 -0.147 0.000 2.707 247 C HA 1.008 5.475 4.460 0.012 0.000 0.313 247 C C 0.527 175.441 174.990 -0.128 0.000 1.209 247 C CA 0.631 59.582 59.018 -0.112 0.000 1.635 247 C CB 1.181 28.883 27.740 -0.063 0.000 2.206 247 C HN 1.309 nan 8.230 nan 0.000 0.485 248 G N 1.534 110.271 108.800 -0.105 0.000 2.466 248 G HA2 -0.012 3.956 3.960 0.012 0.000 0.316 248 G HA3 -0.012 3.956 3.960 0.012 0.000 0.316 248 G C -0.632 174.202 174.900 -0.110 0.000 1.270 248 G CA -0.220 44.824 45.100 -0.093 0.000 0.982 248 G HN 1.058 nan 8.290 nan 0.000 0.506 249 E N -0.294 119.854 120.200 -0.087 0.000 2.498 249 E HA 0.238 4.595 4.350 0.012 0.000 0.252 249 E C -0.075 176.431 176.600 -0.157 0.000 1.025 249 E CA -0.482 55.864 56.400 -0.090 0.000 0.938 249 E CB 0.277 29.951 29.700 -0.042 0.000 0.947 249 E HN 0.564 nan 8.360 nan 0.000 0.478 250 L N 6.071 127.190 121.223 -0.173 0.000 2.313 250 L HA 0.291 4.639 4.340 0.012 0.000 0.282 250 L C -0.469 176.255 176.870 -0.242 0.000 1.092 250 L CA 0.284 54.985 54.840 -0.231 0.000 0.831 250 L CB 0.551 42.500 42.059 -0.183 0.000 1.159 250 L HN 0.545 nan 8.230 nan 0.000 0.442 251 R N 2.905 123.187 120.500 -0.363 0.000 2.725 251 R HA 0.283 4.630 4.340 0.012 0.000 0.277 251 R C 0.144 176.164 176.300 -0.467 0.000 0.987 251 R CA -0.749 55.040 56.100 -0.519 0.000 0.901 251 R CB 1.387 31.018 30.300 -1.115 0.000 1.207 251 R HN 0.544 nan 8.270 nan 0.000 0.463 252 D N 1.081 121.299 120.400 -0.303 0.000 2.218 252 D HA -0.155 4.492 4.640 0.012 0.000 0.204 252 D C 1.511 177.760 176.300 -0.086 0.000 0.976 252 D CA 1.603 55.523 54.000 -0.133 0.000 0.853 252 D CB 0.126 40.902 40.800 -0.041 0.000 0.939 252 D HN 0.580 nan 8.370 nan 0.000 0.481 253 Y N 0.210 120.524 120.300 0.024 0.000 2.561 253 Y HA 0.226 4.783 4.550 0.012 0.000 0.291 253 Y C 0.912 176.824 175.900 0.020 0.000 1.141 253 Y CA -0.461 57.652 58.100 0.021 0.000 1.303 253 Y CB -0.925 37.546 38.460 0.019 0.000 1.015 253 Y HN -0.189 nan 8.280 nan 0.000 0.547 254 L N 2.771 123.962 121.223 -0.053 0.000 2.456 254 L HA 0.251 4.598 4.340 0.012 0.000 0.272 254 L C 0.272 177.177 176.870 0.059 0.000 1.189 254 L CA 0.116 55.013 54.840 0.095 0.000 0.846 254 L CB 0.394 42.493 42.059 0.067 0.000 1.111 254 L HN 0.198 nan 8.230 nan 0.000 0.475 255 R N 1.903 122.334 120.500 -0.115 0.000 2.764 255 R HA 0.713 5.061 4.340 0.012 0.000 0.270 255 R C -1.564 174.424 176.300 -0.521 0.000 1.014 255 R CA -0.805 55.067 56.100 -0.380 0.000 0.904 255 R CB 2.224 32.216 30.300 -0.514 0.000 1.236 255 R HN 0.275 nan 8.270 nan 0.000 0.466 256 V N 0.757 120.396 119.914 -0.459 0.000 2.638 256 V HA 0.484 4.611 4.120 0.012 0.000 0.306 256 V C -0.608 175.434 176.094 -0.086 0.000 1.052 256 V CA -0.558 61.571 62.300 -0.285 0.000 0.885 256 V CB 2.394 33.981 31.823 -0.394 0.000 0.999 256 V HN 0.735 nan 8.190 nan 0.000 0.424 257 T N 4.015 118.627 114.554 0.096 0.000 2.809 257 T HA 0.559 4.916 4.350 0.012 0.000 0.284 257 T C -0.645 174.079 174.700 0.040 0.000 0.992 257 T CA -0.358 61.809 62.100 0.111 0.000 0.957 257 T CB 1.604 70.590 68.868 0.197 0.000 0.942 257 T HN 0.329 nan 8.240 nan 0.000 0.439 258 V N 4.246 124.162 119.914 0.003 0.000 2.357 258 V HA 0.601 4.728 4.120 0.012 0.000 0.284 258 V C 0.132 176.231 176.094 0.009 0.000 1.018 258 V CA -0.740 61.560 62.300 0.000 0.000 0.841 258 V CB 1.407 33.219 31.823 -0.019 0.000 0.991 258 V HN 1.031 nan 8.190 nan 0.000 0.437 259 S N 5.525 121.256 115.700 0.052 0.000 2.482 259 S HA 0.820 5.297 4.470 0.012 0.000 0.303 259 S C -1.011 173.617 174.600 0.048 0.000 1.091 259 S CA -0.757 57.445 58.200 0.003 0.000 1.057 259 S CB 2.043 65.282 63.200 0.065 0.000 1.031 259 S HN 0.510 nan 8.310 nan 0.000 0.485 260 L N 3.041 124.208 121.223 -0.094 0.000 2.305 260 L HA 0.736 5.083 4.340 0.012 0.000 0.284 260 L C -1.818 175.022 176.870 -0.051 0.000 1.013 260 L CA -0.390 54.485 54.840 0.058 0.000 0.819 260 L CB 0.501 42.608 42.059 0.081 0.000 1.227 260 L HN 0.867 nan 8.230 nan 0.000 0.417 261 W N 3.792 125.187 121.300 0.159 0.000 2.606 261 W HA 0.589 5.256 4.660 0.012 0.000 0.332 261 W C -0.344 176.256 176.519 0.134 0.000 1.052 261 W CA -0.475 56.941 57.345 0.118 0.000 1.223 261 W CB 1.235 30.720 29.460 0.040 0.000 1.383 261 W HN 0.410 nan 8.180 nan 0.000 0.524 262 Q N 2.561 122.508 119.800 0.245 0.000 2.523 262 Q HA 0.461 4.808 4.340 0.012 0.000 0.251 262 Q C 0.676 176.698 176.000 0.037 0.000 1.033 262 Q CA 0.511 56.288 55.803 -0.043 0.000 0.746 262 Q CB 0.581 29.206 28.738 -0.188 0.000 1.189 262 Q HN 0.807 nan 8.270 nan 0.000 0.508 263 G N 3.035 111.861 108.800 0.044 0.000 2.536 263 G HA2 -0.315 3.653 3.960 0.012 0.000 0.280 263 G HA3 -0.315 3.653 3.960 0.012 0.000 0.280 263 G C 0.349 175.319 174.900 0.118 0.000 1.152 263 G CA 0.300 45.425 45.100 0.042 0.000 0.970 263 G HN 0.622 nan 8.290 nan 0.000 0.549 264 E N 1.238 121.511 120.200 0.121 0.000 2.474 264 E HA 0.180 4.537 4.350 0.012 0.000 0.195 264 E C 0.819 177.643 176.600 0.374 0.000 1.039 264 E CA 0.794 57.304 56.400 0.183 0.000 0.881 264 E CB 0.264 30.017 29.700 0.087 0.000 0.970 264 E HN 0.430 nan 8.360 nan 0.000 0.486 265 T N 1.995 116.714 114.554 0.275 0.000 2.743 265 T HA 0.145 4.502 4.350 0.012 0.000 0.293 265 T C 0.138 174.856 174.700 0.030 0.000 0.945 265 T CA -0.346 61.847 62.100 0.154 0.000 1.030 265 T CB 1.475 70.373 68.868 0.050 0.000 0.912 265 T HN -0.005 nan 8.240 nan 0.000 0.483 266 Q N 3.286 122.848 119.800 -0.397 0.000 2.307 266 Q HA 0.244 4.591 4.340 0.012 0.000 0.259 266 Q C 1.002 176.747 176.000 -0.424 0.000 0.998 266 Q CA -0.503 54.711 55.803 -0.981 0.000 0.923 266 Q CB 0.685 28.517 28.738 -1.510 0.000 1.196 266 Q HN 0.701 nan 8.270 nan 0.000 0.416 267 V N 1.252 121.010 119.914 -0.259 0.000 2.992 267 V HA 0.495 4.622 4.120 0.012 0.000 0.250 267 V C 0.434 176.448 176.094 -0.132 0.000 1.090 267 V CA 0.799 63.030 62.300 -0.114 0.000 1.101 267 V CB -0.121 31.721 31.823 0.032 0.000 0.743 267 V HN 0.649 nan 8.190 nan 0.000 0.468 268 A N -0.798 121.918 122.820 -0.174 0.000 2.606 268 A HA 0.837 5.165 4.320 0.012 0.000 0.293 268 A C -0.649 176.837 177.584 -0.163 0.000 1.082 268 A CA 0.163 52.118 52.037 -0.136 0.000 0.685 268 A CB 1.805 20.758 19.000 -0.079 0.000 1.284 268 A HN 0.624 nan 8.150 nan 0.000 0.408 269 S N -0.866 114.763 115.700 -0.118 0.000 2.535 269 S HA 0.749 5.226 4.470 0.012 0.000 0.272 269 S C -0.656 173.908 174.600 -0.061 0.000 1.149 269 S CA 0.216 58.358 58.200 -0.097 0.000 0.888 269 S CB 1.585 64.714 63.200 -0.119 0.000 1.110 269 S HN 2.253 nan 8.310 nan 0.000 0.463 270 G N 1.943 110.718 108.800 -0.042 0.000 2.731 270 G HA2 0.625 4.592 3.960 0.012 0.000 0.298 270 G HA3 0.625 4.592 3.960 0.012 0.000 0.298 270 G C -1.274 173.612 174.900 -0.024 0.000 1.424 270 G CA -0.392 44.686 45.100 -0.036 0.000 1.029 270 G HN 0.683 nan 8.290 nan 0.000 0.518 271 T N 0.105 114.647 114.554 -0.019 0.000 2.876 271 T HA 0.867 5.224 4.350 0.012 0.000 0.289 271 T C -0.254 174.417 174.700 -0.049 0.000 1.014 271 T CA -0.042 62.054 62.100 -0.006 0.000 0.986 271 T CB 1.822 70.718 68.868 0.047 0.000 1.021 271 T HN 1.561 nan 8.240 nan 0.000 0.458 272 A N 3.561 126.320 122.820 -0.101 0.000 2.599 272 A HA 0.848 5.175 4.320 0.012 0.000 0.294 272 A C -3.091 174.370 177.584 -0.206 0.000 1.055 272 A CA -1.401 50.559 52.037 -0.127 0.000 0.683 272 A CB 1.207 20.129 19.000 -0.129 0.000 1.278 272 A HN 0.536 nan 8.150 nan 0.000 0.412 273 P HA 0.579 nan 4.420 nan 0.000 0.282 273 P C -0.650 176.536 177.300 -0.190 0.000 1.287 273 P CA -0.314 62.705 63.100 -0.136 0.000 0.792 273 P CB 0.449 32.128 31.700 -0.035 0.000 1.163 274 F N -0.770 119.139 119.950 -0.068 0.000 2.382 274 F HA 0.511 5.045 4.527 0.012 0.000 0.331 274 F C 1.372 177.151 175.800 -0.035 0.000 1.121 274 F CA 1.232 59.200 58.000 -0.052 0.000 1.183 274 F CB 0.548 39.509 39.000 -0.064 0.000 1.207 274 F HN 0.580 nan 8.300 nan 0.000 0.555 275 G N 1.692 110.606 108.800 0.191 0.000 2.344 275 G HA2 0.333 4.300 3.960 0.012 0.000 0.252 275 G HA3 0.333 4.300 3.960 0.012 0.000 0.252 275 G C -0.350 174.597 174.900 0.079 0.000 1.415 275 G CA -0.716 44.450 45.100 0.111 0.000 1.224 275 G HN 1.039 nan 8.290 nan 0.000 0.616 276 G N 0.909 109.778 108.800 0.114 0.000 2.634 276 G HA2 0.578 4.545 3.960 0.012 0.000 0.255 276 G HA3 0.578 4.545 3.960 0.012 0.000 0.255 276 G C 0.608 175.548 174.900 0.067 0.000 1.205 276 G CA 0.068 45.225 45.100 0.094 0.000 0.884 276 G HN 0.955 nan 8.290 nan 0.000 0.549 277 E N -0.275 119.955 120.200 0.050 0.000 2.428 277 E HA 0.023 4.380 4.350 0.012 0.000 0.257 277 E C -0.061 176.559 176.600 0.034 0.000 1.197 277 E CA -0.199 56.220 56.400 0.032 0.000 0.974 277 E CB 0.818 30.532 29.700 0.023 0.000 0.976 277 E HN 0.299 nan 8.360 nan 0.000 0.463 278 I N 1.579 122.158 120.570 0.015 0.000 2.556 278 I HA -0.052 4.125 4.170 0.012 0.000 0.284 278 I C 1.317 177.439 176.117 0.009 0.000 1.114 278 I CA 0.234 61.535 61.300 0.002 0.000 1.418 278 I CB 0.210 38.207 38.000 -0.005 0.000 1.394 278 I HN 0.542 nan 8.210 nan 0.000 0.552 279 I N 1.243 121.812 120.570 -0.000 0.000 4.032 279 I HA 0.300 4.477 4.170 0.012 0.000 0.313 279 I C -0.162 175.952 176.117 -0.005 0.000 1.272 279 I CA -0.062 61.245 61.300 0.013 0.000 1.307 279 I CB 0.386 38.415 38.000 0.049 0.000 1.155 279 I HN 0.577 nan 8.210 nan 0.000 0.431 280 D N -0.278 120.105 120.400 -0.027 0.000 2.838 280 D HA 0.176 4.823 4.640 0.012 0.000 0.334 280 D C 0.262 176.543 176.300 -0.032 0.000 1.315 280 D CA -0.530 53.454 54.000 -0.026 0.000 0.917 280 D CB 0.670 41.452 40.800 -0.029 0.000 1.435 280 D HN -0.170 nan 8.370 nan 0.000 0.517 281 E N -0.928 119.256 120.200 -0.027 0.000 2.209 281 E HA -0.080 4.277 4.350 0.012 0.000 0.196 281 E C 1.331 177.910 176.600 -0.035 0.000 0.993 281 E CA 1.098 57.482 56.400 -0.026 0.000 0.819 281 E CB -0.041 29.647 29.700 -0.021 0.000 0.745 281 E HN 0.223 nan 8.360 nan 0.000 0.477 282 R N -0.215 120.255 120.500 -0.049 0.000 2.334 282 R HA 0.276 4.623 4.340 0.012 0.000 0.220 282 R C 0.847 177.103 176.300 -0.074 0.000 0.917 282 R CA 0.701 56.765 56.100 -0.060 0.000 1.073 282 R CB 0.310 30.567 30.300 -0.070 0.000 1.056 282 R HN 0.223 nan 8.270 nan 0.000 0.506 283 G N -0.690 108.069 108.800 -0.069 0.000 2.443 283 G HA2 -0.119 3.848 3.960 0.012 0.000 0.209 283 G HA3 -0.119 3.848 3.960 0.012 0.000 0.209 283 G C -0.151 174.693 174.900 -0.094 0.000 1.176 283 G CA -0.602 44.456 45.100 -0.069 0.000 1.074 283 G HN 0.499 nan 8.290 nan 0.000 0.577 284 G N -2.116 106.622 108.800 -0.102 0.000 3.086 284 G HA2 0.633 4.600 3.960 0.012 0.000 0.282 284 G HA3 0.633 4.600 3.960 0.012 0.000 0.282 284 G C -1.601 173.189 174.900 -0.184 0.000 1.343 284 G CA -0.643 44.391 45.100 -0.110 0.000 0.895 284 G HN 0.797 nan 8.290 nan 0.000 0.557 285 Y N 1.235 121.543 120.300 0.013 0.000 2.504 285 Y HA 0.432 4.989 4.550 0.011 0.000 0.351 285 Y C 1.477 177.395 175.900 0.031 0.000 0.988 285 Y CA 0.205 58.315 58.100 0.018 0.000 1.239 285 Y CB 1.544 40.019 38.460 0.024 0.000 1.128 285 Y HN 0.541 nan 8.280 nan 0.000 0.525 286 A N 1.836 124.720 122.820 0.106 0.000 2.067 286 A HA -0.145 4.182 4.320 0.012 0.000 0.219 286 A C 1.472 179.112 177.584 0.093 0.000 1.158 286 A CA 1.444 53.529 52.037 0.078 0.000 0.661 286 A CB -0.264 18.742 19.000 0.011 0.000 0.801 286 A HN 0.776 nan 8.150 nan 0.000 0.452 287 D N -0.861 119.596 120.400 0.094 0.000 2.358 287 D HA 0.119 4.766 4.640 0.012 0.000 0.224 287 D C 0.491 176.874 176.300 0.139 0.000 1.123 287 D CA -0.017 53.964 54.000 -0.031 0.000 0.833 287 D CB -0.045 40.718 40.800 -0.062 0.000 0.946 287 D HN 0.381 nan 8.370 nan 0.000 0.505 288 R N -0.768 119.932 120.500 0.333 0.000 2.808 288 R HA 0.738 5.085 4.340 0.012 0.000 0.272 288 R C -1.602 174.856 176.300 0.263 0.000 0.995 288 R CA -1.131 55.159 56.100 0.317 0.000 0.917 288 R CB 3.089 33.444 30.300 0.092 0.000 1.217 288 R HN -0.017 nan 8.270 nan 0.000 0.471 289 V N 0.341 120.292 119.914 0.062 0.000 3.048 289 V HA 0.497 4.624 4.120 0.012 0.000 0.303 289 V C -1.571 174.468 176.094 -0.092 0.000 1.214 289 V CA -0.277 61.965 62.300 -0.097 0.000 0.984 289 V CB 2.751 34.348 31.823 -0.376 0.000 1.054 289 V HN 0.808 nan 8.190 nan 0.000 0.430 290 T N 7.414 121.925 114.554 -0.073 0.000 2.809 290 T HA 0.588 4.945 4.350 0.012 0.000 0.284 290 T C -0.930 173.732 174.700 -0.064 0.000 0.992 290 T CA -0.409 61.658 62.100 -0.055 0.000 0.957 290 T CB 1.028 69.877 68.868 -0.030 0.000 0.942 290 T HN 0.458 nan 8.240 nan 0.000 0.439 291 L N 3.742 124.928 121.223 -0.062 0.000 2.309 291 L HA 0.560 4.907 4.340 0.012 0.000 0.282 291 L C 0.514 177.357 176.870 -0.045 0.000 1.036 291 L CA -0.364 54.441 54.840 -0.059 0.000 0.806 291 L CB 1.147 43.169 42.059 -0.061 0.000 1.220 291 L HN 0.530 nan 8.230 nan 0.000 0.429 292 R N 3.636 124.109 120.500 -0.045 0.000 2.439 292 R HA 0.657 5.004 4.340 0.012 0.000 0.310 292 R C -1.338 174.937 176.300 -0.042 0.000 0.955 292 R CA -0.952 55.122 56.100 -0.043 0.000 0.853 292 R CB 1.988 32.263 30.300 -0.042 0.000 1.171 292 R HN 0.252 nan 8.270 nan 0.000 0.449 293 L N 2.668 123.868 121.223 -0.039 0.000 2.346 293 L HA 0.384 4.731 4.340 0.012 0.000 0.276 293 L C -0.341 176.509 176.870 -0.034 0.000 1.006 293 L CA -0.650 54.168 54.840 -0.035 0.000 0.817 293 L CB 1.780 43.823 42.059 -0.027 0.000 1.272 293 L HN 0.481 nan 8.230 nan 0.000 0.421 294 N N 1.243 119.918 118.700 -0.041 0.000 2.455 294 N HA 0.631 5.378 4.740 0.012 0.000 0.280 294 N C -1.186 174.291 175.510 -0.056 0.000 1.055 294 N CA -0.387 52.636 53.050 -0.045 0.000 0.961 294 N CB 1.720 40.182 38.487 -0.043 0.000 1.121 294 N HN 0.241 nan 8.380 nan 0.000 0.476 295 V N 1.920 121.791 119.914 -0.072 0.000 2.443 295 V HA 0.262 4.389 4.120 0.012 0.000 0.293 295 V C -0.435 175.594 176.094 -0.107 0.000 1.021 295 V CA -0.878 61.345 62.300 -0.129 0.000 0.848 295 V CB 1.387 33.037 31.823 -0.289 0.000 0.998 295 V HN 0.574 nan 8.190 nan 0.000 0.424 296 E N 2.872 123.029 120.200 -0.071 0.000 2.301 296 E HA 0.276 4.633 4.350 0.012 0.000 0.275 296 E C 0.226 176.810 176.600 -0.027 0.000 1.030 296 E CA -0.443 55.936 56.400 -0.035 0.000 0.852 296 E CB 0.522 30.209 29.700 -0.020 0.000 1.060 296 E HN 0.737 nan 8.360 nan 0.000 0.401 297 N N 1.131 119.837 118.700 0.010 0.000 2.689 297 N HA -0.155 4.593 4.740 0.012 0.000 0.263 297 N C -2.423 173.095 175.510 0.015 0.000 0.987 297 N CA 0.230 53.300 53.050 0.034 0.000 0.782 297 N CB -1.047 37.459 38.487 0.031 0.000 0.903 297 N HN 0.346 nan 8.380 nan 0.000 0.547 298 P HA -0.004 nan 4.420 nan 0.000 0.269 298 P C -0.496 176.829 177.300 0.043 0.000 1.209 298 P CA 0.234 63.245 63.100 -0.149 0.000 0.776 298 P CB 0.777 32.146 31.700 -0.551 0.000 0.876 299 K N 2.844 123.353 120.400 0.181 0.000 2.349 299 K HA 0.252 4.579 4.320 0.012 0.000 0.289 299 K C 0.322 177.076 176.600 0.257 0.000 1.064 299 K CA -0.354 56.044 56.287 0.185 0.000 0.947 299 K CB 0.133 32.720 32.500 0.144 0.000 1.007 299 K HN 0.436 nan 8.250 nan 0.000 0.478 300 L N 2.507 123.813 121.223 0.139 0.000 2.417 300 L HA 0.232 4.579 4.340 0.012 0.000 0.268 300 L C 0.141 177.083 176.870 0.120 0.000 1.158 300 L CA -0.655 54.260 54.840 0.124 0.000 0.819 300 L CB 0.240 42.218 42.059 -0.136 0.000 1.112 300 L HN 0.600 nan 8.230 nan 0.000 0.458 301 W N 3.042 124.364 121.300 0.036 0.000 2.449 301 W HA 0.524 5.190 4.660 0.011 0.000 0.331 301 W C -0.057 176.403 176.519 -0.098 0.000 1.119 301 W CA 0.126 57.483 57.345 0.020 0.000 1.240 301 W CB 1.385 30.911 29.460 0.110 0.000 1.251 301 W HN 0.645 nan 8.180 nan 0.000 0.576 302 S N 2.494 117.468 115.700 -1.209 0.000 2.643 302 S HA 0.555 5.032 4.470 0.012 0.000 0.266 302 S C -0.141 173.646 174.600 -1.356 0.000 1.130 302 S CA -0.351 57.229 58.200 -1.033 0.000 0.817 302 S CB 0.795 63.693 63.200 -0.504 0.000 1.107 302 S HN 1.116 nan 8.310 nan 0.000 0.471 303 A N 0.318 122.516 122.820 -1.037 0.000 2.066 303 A HA 0.149 4.476 4.320 0.012 0.000 0.218 303 A C 1.715 178.993 177.584 -0.509 0.000 1.157 303 A CA 1.300 52.778 52.037 -0.932 0.000 0.670 303 A CB -0.849 17.463 19.000 -1.146 0.000 0.804 303 A HN 0.840 nan 8.150 nan 0.000 0.453 304 E N -0.728 119.293 120.200 -0.299 0.000 2.051 304 E HA 0.080 4.438 4.350 0.012 0.000 0.189 304 E C -0.232 176.234 176.600 -0.223 0.000 0.979 304 E CA 0.705 56.992 56.400 -0.188 0.000 0.803 304 E CB 0.062 29.783 29.700 0.035 0.000 0.761 304 E HN 0.568 nan 8.360 nan 0.000 0.451 305 I N 1.916 122.331 120.570 -0.258 0.000 2.583 305 I HA 0.148 4.325 4.170 0.012 0.000 0.276 305 I C -2.427 173.488 176.117 -0.336 0.000 1.089 305 I CA -1.766 59.405 61.300 -0.214 0.000 1.103 305 I CB 2.133 40.057 38.000 -0.126 0.000 1.209 305 I HN -0.183 nan 8.210 nan 0.000 0.484 306 P HA 0.028 nan 4.420 nan 0.000 0.232 306 P C -0.548 176.793 177.300 0.069 0.000 1.738 306 P CA -0.129 62.756 63.100 -0.358 0.000 0.948 306 P CB -0.295 31.337 31.700 -0.112 0.000 1.943 307 N N 1.625 120.371 118.700 0.078 0.000 2.454 307 N HA 0.133 4.880 4.740 0.012 0.000 0.260 307 N C 0.185 175.936 175.510 0.402 0.000 1.218 307 N CA 0.444 53.602 53.050 0.181 0.000 0.904 307 N CB 0.829 39.407 38.487 0.151 0.000 1.065 307 N HN 0.324 nan 8.380 nan 0.000 0.462 308 L N 2.101 123.486 121.223 0.271 0.000 2.371 308 L HA 0.497 4.844 4.340 0.012 0.000 0.262 308 L C -0.981 176.037 176.870 0.247 0.000 1.006 308 L CA -0.872 54.173 54.840 0.342 0.000 0.818 308 L CB 1.385 43.591 42.059 0.245 0.000 1.354 308 L HN 0.381 nan 8.230 nan 0.000 0.415 309 Y N 0.057 120.499 120.300 0.236 0.000 2.630 309 Y HA 0.653 5.210 4.550 0.012 0.000 0.337 309 Y C -0.299 175.719 175.900 0.196 0.000 1.051 309 Y CA -0.919 57.320 58.100 0.233 0.000 1.121 309 Y CB 1.814 40.469 38.460 0.326 0.000 1.299 309 Y HN 0.366 nan 8.280 nan 0.000 0.498 310 R N 1.206 121.931 120.500 0.376 0.000 2.437 310 R HA 0.815 5.162 4.340 0.012 0.000 0.310 310 R C -1.591 174.892 176.300 0.306 0.000 0.955 310 R CA -0.570 55.687 56.100 0.261 0.000 0.851 310 R CB 1.012 31.403 30.300 0.151 0.000 1.161 310 R HN 0.740 nan 8.270 nan 0.000 0.446 311 A N 4.115 127.063 122.820 0.214 0.000 2.288 311 A HA 0.594 4.921 4.320 0.012 0.000 0.320 311 A C -1.014 176.636 177.584 0.111 0.000 1.217 311 A CA -0.659 51.486 52.037 0.180 0.000 0.840 311 A CB 1.154 20.233 19.000 0.132 0.000 1.179 311 A HN 0.492 nan 8.150 nan 0.000 0.504 312 V N 3.474 123.463 119.914 0.126 0.000 2.417 312 V HA 0.372 4.499 4.120 0.012 0.000 0.291 312 V C -0.268 175.818 176.094 -0.014 0.000 1.024 312 V CA -0.519 61.802 62.300 0.035 0.000 0.861 312 V CB 1.513 33.378 31.823 0.069 0.000 0.985 312 V HN 0.597 nan 8.190 nan 0.000 0.436 313 V N 4.880 124.722 119.914 -0.121 0.000 2.328 313 V HA 0.384 4.511 4.120 0.012 0.000 0.278 313 V C 0.032 176.080 176.094 -0.077 0.000 1.021 313 V CA -0.548 61.657 62.300 -0.158 0.000 0.838 313 V CB 1.135 32.714 31.823 -0.407 0.000 0.999 313 V HN 0.918 nan 8.190 nan 0.000 0.447 314 E N 4.076 124.285 120.200 0.013 0.000 2.134 314 E HA 0.457 4.814 4.350 0.012 0.000 0.278 314 E C -0.942 175.757 176.600 0.164 0.000 0.959 314 E CA -0.846 55.615 56.400 0.101 0.000 0.783 314 E CB 2.394 32.181 29.700 0.145 0.000 1.095 314 E HN 0.456 nan 8.360 nan 0.000 0.399 315 L N 4.896 126.189 121.223 0.118 0.000 2.265 315 L HA 0.360 4.707 4.340 0.012 0.000 0.289 315 L C -0.980 175.985 176.870 0.159 0.000 1.033 315 L CA 0.054 54.951 54.840 0.095 0.000 0.814 315 L CB -0.036 42.068 42.059 0.075 0.000 1.203 315 L HN 0.639 nan 8.230 nan 0.000 0.423 316 H N 0.186 119.309 119.070 0.087 0.000 2.960 316 H HA 0.717 5.280 4.556 0.012 0.000 0.323 316 H C -0.737 174.670 175.328 0.132 0.000 1.326 316 H CA -0.533 55.565 56.048 0.084 0.000 1.124 316 H CB 0.574 30.364 29.762 0.047 0.000 1.853 316 H HN 0.498 nan 8.280 nan 0.000 0.536 317 T N -1.591 113.104 114.554 0.237 0.000 2.910 317 T HA 0.464 4.821 4.350 0.012 0.000 0.293 317 T C 1.471 176.325 174.700 0.257 0.000 1.015 317 T CA -0.286 61.943 62.100 0.216 0.000 1.094 317 T CB 1.394 70.297 68.868 0.058 0.000 0.968 317 T HN 0.935 nan 8.240 nan 0.000 0.521 318 A N 1.888 124.826 122.820 0.196 0.000 1.917 318 A HA -0.119 4.209 4.320 0.012 0.000 0.219 318 A C 1.834 179.513 177.584 0.158 0.000 1.182 318 A CA 1.646 53.787 52.037 0.174 0.000 0.633 318 A CB -0.858 18.217 19.000 0.126 0.000 0.819 318 A HN 0.900 nan 8.150 nan 0.000 0.448 319 D N -1.149 119.314 120.400 0.106 0.000 2.371 319 D HA 0.241 4.888 4.640 0.012 0.000 0.234 319 D C 1.241 177.571 176.300 0.050 0.000 1.049 319 D CA 1.137 55.172 54.000 0.058 0.000 0.907 319 D CB -0.153 40.659 40.800 0.019 0.000 0.891 319 D HN 0.698 nan 8.370 nan 0.000 0.531 320 G N 0.308 109.161 108.800 0.089 0.000 2.148 320 G HA2 -0.216 3.751 3.960 0.012 0.000 0.203 320 G HA3 -0.216 3.751 3.960 0.012 0.000 0.203 320 G C 0.314 175.225 174.900 0.020 0.000 0.993 320 G CA -0.183 44.931 45.100 0.024 0.000 0.661 320 G HN 0.243 nan 8.290 nan 0.000 0.518 321 T N 1.657 116.251 114.554 0.066 0.000 2.738 321 T HA 0.510 4.867 4.350 0.012 0.000 0.298 321 T C 0.270 175.029 174.700 0.100 0.000 0.962 321 T CA -0.312 61.817 62.100 0.049 0.000 0.972 321 T CB 1.706 70.584 68.868 0.017 0.000 0.928 321 T HN 0.569 nan 8.240 nan 0.000 0.474 322 L N 5.216 126.478 121.223 0.065 0.000 2.410 322 L HA 0.305 4.652 4.340 0.012 0.000 0.273 322 L C 0.870 177.788 176.870 0.079 0.000 1.144 322 L CA 0.462 55.356 54.840 0.090 0.000 0.863 322 L CB -0.016 42.066 42.059 0.038 0.000 1.140 322 L HN 0.682 nan 8.230 nan 0.000 0.463 323 I N 3.059 123.687 120.570 0.097 0.000 2.429 323 I HA 0.089 4.266 4.170 0.012 0.000 0.247 323 I C 0.427 176.561 176.117 0.029 0.000 1.099 323 I CA 0.585 61.919 61.300 0.057 0.000 1.422 323 I CB 0.130 38.167 38.000 0.062 0.000 1.112 323 I HN 0.825 nan 8.210 nan 0.000 0.430 324 E N 0.170 120.390 120.200 0.033 0.000 2.409 324 E HA 0.681 5.038 4.350 0.012 0.000 0.280 324 E C -1.597 175.022 176.600 0.031 0.000 1.079 324 E CA -1.031 55.378 56.400 0.014 0.000 0.840 324 E CB 1.743 31.410 29.700 -0.056 0.000 1.309 324 E HN -0.015 nan 8.360 nan 0.000 0.447 325 A N 1.476 124.339 122.820 0.071 0.000 2.449 325 A HA 0.717 5.044 4.320 0.012 0.000 0.302 325 A C -1.040 176.647 177.584 0.172 0.000 1.048 325 A CA -0.725 51.363 52.037 0.085 0.000 0.708 325 A CB 1.735 20.790 19.000 0.091 0.000 1.274 325 A HN 0.520 nan 8.150 nan 0.000 0.410 326 E N -0.329 119.903 120.200 0.054 0.000 2.378 326 E HA 0.860 5.217 4.350 0.012 0.000 0.265 326 E C -0.436 176.197 176.600 0.055 0.000 0.932 326 E CA -0.459 56.021 56.400 0.133 0.000 0.795 326 E CB 2.390 32.037 29.700 -0.089 0.000 1.296 326 E HN 1.231 nan 8.360 nan 0.000 0.438 327 A N -0.222 122.734 122.820 0.227 0.000 2.540 327 A HA 0.754 5.081 4.320 0.012 0.000 0.291 327 A C -1.271 176.501 177.584 0.314 0.000 1.083 327 A CA -0.258 51.861 52.037 0.136 0.000 0.650 327 A CB 0.763 19.776 19.000 0.022 0.000 1.292 327 A HN 0.944 nan 8.150 nan 0.000 0.435 328 C N -0.749 118.692 119.300 0.234 0.000 3.292 328 C HA 0.747 5.214 4.460 0.012 0.000 0.338 328 C C -1.652 173.430 174.990 0.154 0.000 1.323 328 C CA -0.957 58.196 59.018 0.226 0.000 1.232 328 C CB 0.931 28.829 27.740 0.264 0.000 1.517 328 C HN 0.834 nan 8.230 nan 0.000 0.470 329 D N 1.225 121.697 120.400 0.120 0.000 2.304 329 D HA 0.527 5.174 4.640 0.012 0.000 0.250 329 D C -0.298 176.050 176.300 0.080 0.000 1.107 329 D CA 0.156 54.227 54.000 0.119 0.000 0.885 329 D CB 1.910 42.778 40.800 0.113 0.000 1.192 329 D HN 0.556 nan 8.370 nan 0.000 0.436 330 V N 1.224 121.217 119.914 0.132 0.000 2.459 330 V HA 0.627 4.754 4.120 0.012 0.000 0.295 330 V C 0.646 176.813 176.094 0.121 0.000 1.029 330 V CA -0.816 61.516 62.300 0.053 0.000 0.874 330 V CB 1.929 33.772 31.823 0.032 0.000 0.985 330 V HN 0.616 nan 8.190 nan 0.000 0.438 331 G N 3.314 112.078 108.800 -0.059 0.000 2.502 331 G HA2 0.591 4.558 3.960 0.012 0.000 0.311 331 G HA3 0.591 4.558 3.960 0.012 0.000 0.311 331 G C -0.945 174.038 174.900 0.139 0.000 1.270 331 G CA -0.372 44.755 45.100 0.046 0.000 0.948 331 G HN 0.443 nan 8.290 nan 0.000 0.487 332 F N 4.227 124.353 119.950 0.294 0.000 2.468 332 F HA 0.420 4.953 4.527 0.011 0.000 0.356 332 F C 1.155 177.204 175.800 0.414 0.000 1.167 332 F CA -0.133 58.100 58.000 0.390 0.000 1.135 332 F CB 0.585 39.803 39.000 0.365 0.000 1.197 332 F HN 0.447 nan 8.300 nan 0.000 0.569 333 R N 2.934 123.736 120.500 0.504 0.000 2.629 333 R HA 0.406 4.754 4.340 0.012 0.000 0.266 333 R C -1.825 174.622 176.300 0.245 0.000 1.051 333 R CA -0.790 55.444 56.100 0.223 0.000 0.895 333 R CB 1.604 32.097 30.300 0.321 0.000 1.246 333 R HN 0.567 nan 8.270 nan 0.000 0.459 334 E N 2.276 122.523 120.200 0.079 0.000 2.187 334 E HA 0.470 4.827 4.350 0.012 0.000 0.268 334 E C -1.256 175.422 176.600 0.130 0.000 0.896 334 E CA -0.911 55.620 56.400 0.217 0.000 0.766 334 E CB 2.107 32.003 29.700 0.327 0.000 1.142 334 E HN 0.401 nan 8.360 nan 0.000 0.408 335 V N 5.589 125.574 119.914 0.119 0.000 2.448 335 V HA 0.598 4.725 4.120 0.012 0.000 0.295 335 V C -0.285 175.853 176.094 0.073 0.000 1.025 335 V CA -0.622 61.719 62.300 0.068 0.000 0.859 335 V CB 1.313 33.157 31.823 0.035 0.000 0.988 335 V HN 0.762 nan 8.190 nan 0.000 0.431 336 R N 4.257 124.795 120.500 0.064 0.000 2.664 336 R HA 0.656 5.003 4.340 0.012 0.000 0.266 336 R C -2.170 174.160 176.300 0.050 0.000 1.046 336 R CA -0.916 55.224 56.100 0.065 0.000 0.885 336 R CB 1.686 32.038 30.300 0.086 0.000 1.254 336 R HN 0.513 nan 8.270 nan 0.000 0.465 337 I N 1.593 122.191 120.570 0.048 0.000 2.321 337 I HA 0.336 4.513 4.170 0.012 0.000 0.291 337 I C -0.459 175.683 176.117 0.042 0.000 0.998 337 I CA -0.393 60.929 61.300 0.038 0.000 1.227 337 I CB 1.710 39.734 38.000 0.040 0.000 1.368 337 I HN 0.679 nan 8.210 nan 0.000 0.466 338 E N 6.324 126.545 120.200 0.036 0.000 2.263 338 E HA 0.217 4.574 4.350 0.012 0.000 0.268 338 E C -0.267 176.349 176.600 0.027 0.000 0.884 338 E CA -0.559 55.863 56.400 0.037 0.000 0.766 338 E CB 1.125 30.852 29.700 0.046 0.000 1.196 338 E HN 0.595 nan 8.360 nan 0.000 0.416 339 N N 3.233 121.949 118.700 0.026 0.000 2.725 339 N HA -0.236 4.512 4.740 0.012 0.000 0.249 339 N C 0.485 176.004 175.510 0.015 0.000 1.103 339 N CA 2.189 55.251 53.050 0.020 0.000 0.707 339 N CB -1.150 37.347 38.487 0.017 0.000 1.043 339 N HN 0.995 nan 8.380 nan 0.000 0.553 340 G N -2.312 106.497 108.800 0.016 0.000 2.176 340 G HA2 -0.268 3.699 3.960 0.012 0.000 0.253 340 G HA3 -0.268 3.699 3.960 0.012 0.000 0.253 340 G C -0.128 174.771 174.900 -0.002 0.000 0.979 340 G CA 0.393 45.498 45.100 0.009 0.000 0.641 340 G HN 0.437 nan 8.290 nan 0.000 0.530 341 L N 0.275 121.498 121.223 -0.001 0.000 2.346 341 L HA 0.685 5.032 4.340 0.012 0.000 0.276 341 L C 0.113 176.977 176.870 -0.011 0.000 1.006 341 L CA -1.303 53.529 54.840 -0.013 0.000 0.817 341 L CB 1.831 43.883 42.059 -0.013 0.000 1.272 341 L HN 0.101 nan 8.230 nan 0.000 0.421 342 L N 4.773 125.978 121.223 -0.030 0.000 2.315 342 L HA 0.415 4.762 4.340 0.012 0.000 0.283 342 L C -0.782 176.068 176.870 -0.034 0.000 1.089 342 L CA 0.418 55.240 54.840 -0.030 0.000 0.833 342 L CB 0.279 42.306 42.059 -0.052 0.000 1.170 342 L HN 0.382 nan 8.230 nan 0.000 0.442 343 L N 5.802 127.021 121.223 -0.006 0.000 2.334 343 L HA 0.539 4.886 4.340 0.012 0.000 0.276 343 L C -0.828 176.048 176.870 0.011 0.000 1.014 343 L CA -0.851 53.993 54.840 0.006 0.000 0.815 343 L CB 1.878 43.961 42.059 0.041 0.000 1.268 343 L HN 0.515 nan 8.230 nan 0.000 0.428 344 L N 3.879 125.116 121.223 0.024 0.000 2.319 344 L HA 0.485 4.833 4.340 0.012 0.000 0.281 344 L C -0.178 176.688 176.870 -0.005 0.000 1.005 344 L CA 0.058 54.916 54.840 0.031 0.000 0.828 344 L CB 0.768 42.865 42.059 0.063 0.000 1.227 344 L HN 0.588 nan 8.230 nan 0.000 0.415 345 N N 4.204 122.781 118.700 -0.205 0.000 2.727 345 N HA -0.217 4.530 4.740 0.012 0.000 0.249 345 N C 0.940 176.039 175.510 -0.685 0.000 1.048 345 N CA 1.310 53.881 53.050 -0.798 0.000 0.714 345 N CB -1.283 36.642 38.487 -0.937 0.000 0.959 345 N HN 1.176 nan 8.380 nan 0.000 0.544 346 G N -2.106 106.636 108.800 -0.097 0.000 2.179 346 G HA2 -0.347 3.620 3.960 0.012 0.000 0.260 346 G HA3 -0.347 3.620 3.960 0.012 0.000 0.260 346 G C -0.060 174.867 174.900 0.045 0.000 0.977 346 G CA 0.868 46.018 45.100 0.083 0.000 0.641 346 G HN 0.407 nan 8.290 nan 0.000 0.533 347 K N 0.971 121.391 120.400 0.032 0.000 2.203 347 K HA 0.538 4.865 4.320 0.012 0.000 0.251 347 K C -2.723 173.860 176.600 -0.028 0.000 0.944 347 K CA -2.324 53.955 56.287 -0.013 0.000 0.829 347 K CB 2.427 34.866 32.500 -0.101 0.000 1.125 347 K HN 0.116 nan 8.250 nan 0.000 0.430 348 P HA 0.186 nan 4.420 nan 0.000 0.276 348 P C -0.201 177.042 177.300 -0.096 0.000 1.243 348 P CA -0.216 62.845 63.100 -0.066 0.000 0.768 348 P CB 0.609 32.273 31.700 -0.060 0.000 0.856 349 L N 3.579 124.740 121.223 -0.103 0.000 2.453 349 L HA 0.301 4.648 4.340 0.012 0.000 0.261 349 L C 0.659 177.449 176.870 -0.134 0.000 1.179 349 L CA -0.656 54.109 54.840 -0.126 0.000 0.813 349 L CB 0.392 42.333 42.059 -0.195 0.000 1.110 349 L HN 0.283 nan 8.230 nan 0.000 0.466 350 L N 3.870 125.028 121.223 -0.108 0.000 2.427 350 L HA 0.406 4.753 4.340 0.012 0.000 0.264 350 L C -0.509 176.310 176.870 -0.085 0.000 0.989 350 L CA -0.320 54.443 54.840 -0.129 0.000 0.865 350 L CB 0.872 42.888 42.059 -0.072 0.000 1.209 350 L HN 0.241 nan 8.230 nan 0.000 0.430 351 I N 4.889 125.340 120.570 -0.197 0.000 2.494 351 I HA 0.155 4.332 4.170 0.012 0.000 0.289 351 I C 0.646 176.715 176.117 -0.080 0.000 1.106 351 I CA 0.339 61.525 61.300 -0.190 0.000 1.369 351 I CB 0.058 37.828 38.000 -0.383 0.000 1.410 351 I HN 0.543 nan 8.210 nan 0.000 0.523 352 R N 4.788 125.323 120.500 0.058 0.000 3.256 352 R HA 0.433 4.780 4.340 0.012 0.000 0.263 352 R C 0.586 176.971 176.300 0.142 0.000 1.388 352 R CA -0.275 55.899 56.100 0.123 0.000 1.580 352 R CB 0.814 31.002 30.300 -0.187 0.000 1.255 352 R HN 0.761 nan 8.270 nan 0.000 0.640 353 G N -0.011 108.815 108.800 0.043 0.000 2.601 353 G HA2 0.595 4.562 3.960 0.012 0.000 0.317 353 G HA3 0.595 4.562 3.960 0.012 0.000 0.317 353 G C -1.254 173.914 174.900 0.446 0.000 1.246 353 G CA -0.462 44.664 45.100 0.045 0.000 1.012 353 G HN 0.198 nan 8.290 nan 0.000 0.494 354 V N -0.175 119.993 119.914 0.424 0.000 2.969 354 V HA 0.443 4.570 4.120 0.012 0.000 0.304 354 V C -1.234 174.997 176.094 0.229 0.000 1.192 354 V CA -1.198 61.264 62.300 0.271 0.000 0.962 354 V CB 2.150 33.861 31.823 -0.187 0.000 1.045 354 V HN 0.755 nan 8.190 nan 0.000 0.428 355 N N 4.253 123.012 118.700 0.098 0.000 2.529 355 N HA 0.438 5.185 4.740 0.012 0.000 0.278 355 N C -0.652 174.665 175.510 -0.321 0.000 1.146 355 N CA -0.203 52.771 53.050 -0.126 0.000 0.980 355 N CB 1.390 39.777 38.487 -0.167 0.000 1.124 355 N HN 0.654 nan 8.380 nan 0.000 0.458 356 R N 1.752 122.028 120.500 -0.374 0.000 2.515 356 R HA 0.225 4.572 4.340 0.012 0.000 0.291 356 R C -1.089 174.959 176.300 -0.420 0.000 1.046 356 R CA -0.558 55.331 56.100 -0.351 0.000 0.914 356 R CB 0.910 30.994 30.300 -0.360 0.000 1.191 356 R HN 0.582 nan 8.270 nan 0.000 0.435 357 H N 2.062 120.968 119.070 -0.273 0.000 2.488 357 H HA 0.182 4.745 4.556 0.012 0.000 0.347 357 H C -0.497 174.804 175.328 -0.046 0.000 1.174 357 H CA -0.128 55.842 56.048 -0.130 0.000 1.307 357 H CB 1.631 31.369 29.762 -0.039 0.000 1.517 357 H HN 0.569 nan 8.280 nan 0.000 0.554 358 E N 2.079 122.443 120.200 0.272 0.000 1.936 358 E HA 0.101 4.458 4.350 0.012 0.000 0.267 358 E C -0.674 176.058 176.600 0.220 0.000 1.076 358 E CA -0.100 56.394 56.400 0.157 0.000 0.870 358 E CB 0.293 30.107 29.700 0.190 0.000 1.093 358 E HN 0.371 nan 8.360 nan 0.000 0.411 359 H N 1.581 120.695 119.070 0.073 0.000 2.771 359 H HA 0.266 4.829 4.556 0.012 0.000 0.361 359 H C -1.581 173.779 175.328 0.052 0.000 1.108 359 H CA -0.654 55.427 56.048 0.055 0.000 1.201 359 H CB 1.133 30.913 29.762 0.031 0.000 1.681 359 H HN 0.374 nan 8.280 nan 0.000 0.534 360 H N 6.257 124.913 119.070 -0.690 0.000 2.689 360 H HA 0.203 4.766 4.556 0.012 0.000 0.346 360 H C -2.244 172.639 175.328 -0.741 0.000 1.037 360 H CA -2.348 53.393 56.048 -0.513 0.000 1.234 360 H CB 2.773 32.375 29.762 -0.268 0.000 1.572 360 H HN 0.568 nan 8.280 nan 0.000 0.524 361 P HA -0.085 nan 4.420 nan 0.000 0.222 361 P C 1.040 178.203 177.300 -0.227 0.000 1.147 361 P CA 0.817 63.713 63.100 -0.341 0.000 0.790 361 P CB 0.800 32.358 31.700 -0.237 0.000 0.780 362 L N -1.699 119.481 121.223 -0.072 0.000 2.362 362 L HA 0.128 4.475 4.340 0.012 0.000 0.204 362 L C 2.067 178.849 176.870 -0.146 0.000 1.060 362 L CA 0.674 55.432 54.840 -0.137 0.000 0.827 362 L CB -0.789 41.116 42.059 -0.257 0.000 1.027 362 L HN 0.011 nan 8.230 nan 0.000 0.474 363 H N -0.345 118.717 119.070 -0.014 0.000 2.549 363 H HA 0.324 4.887 4.556 0.012 0.000 0.279 363 H C 1.393 176.621 175.328 -0.166 0.000 1.018 363 H CA 0.084 56.037 56.048 -0.159 0.000 1.175 363 H CB 0.565 30.146 29.762 -0.301 0.000 1.485 363 H HN 0.386 nan 8.280 nan 0.000 0.543 364 G N 1.700 110.420 108.800 -0.133 0.000 2.557 364 G HA2 -0.396 3.572 3.960 0.012 0.000 0.292 364 G HA3 -0.396 3.572 3.960 0.012 0.000 0.292 364 G C 0.634 175.455 174.900 -0.132 0.000 1.162 364 G CA 0.360 45.336 45.100 -0.206 0.000 0.964 364 G HN 0.464 nan 8.290 nan 0.000 0.541 365 Q N -0.003 119.739 119.800 -0.097 0.000 2.188 365 Q HA 0.500 4.847 4.340 0.012 0.000 0.212 365 Q C 0.183 176.270 176.000 0.145 0.000 0.846 365 Q CA -0.198 55.590 55.803 -0.024 0.000 0.989 365 Q CB 1.326 29.939 28.738 -0.207 0.000 1.114 365 Q HN 0.364 nan 8.270 nan 0.000 0.488 366 V N 1.921 121.903 119.914 0.113 0.000 2.461 366 V HA 0.196 4.323 4.120 0.012 0.000 0.275 366 V C 0.168 176.324 176.094 0.104 0.000 1.047 366 V CA 0.037 62.419 62.300 0.137 0.000 0.955 366 V CB 1.009 32.851 31.823 0.032 0.000 0.988 366 V HN 0.342 nan 8.190 nan 0.000 0.471 367 M N 5.088 124.759 119.600 0.119 0.000 2.537 367 M HA 0.536 5.023 4.480 0.012 0.000 0.324 367 M C -0.384 175.888 176.300 -0.045 0.000 1.187 367 M CA -0.499 54.825 55.300 0.040 0.000 0.993 367 M CB 1.826 34.428 32.600 0.005 0.000 1.666 367 M HN 0.874 nan 8.290 nan 0.000 0.461 368 D N -0.317 120.052 120.400 -0.052 0.000 2.596 368 D HA 0.213 4.860 4.640 0.012 0.000 0.234 368 D C 0.002 176.281 176.300 -0.036 0.000 1.181 368 D CA -0.428 53.540 54.000 -0.053 0.000 0.856 368 D CB 1.950 42.750 40.800 -0.000 0.000 1.498 368 D HN 0.700 nan 8.370 nan 0.000 0.446 369 E N 0.570 120.758 120.200 -0.021 0.000 2.070 369 E HA -0.276 4.081 4.350 0.012 0.000 0.197 369 E C 1.716 178.354 176.600 0.063 0.000 1.004 369 E CA 1.808 58.224 56.400 0.027 0.000 0.805 369 E CB 0.153 29.884 29.700 0.052 0.000 0.744 369 E HN 0.471 nan 8.360 nan 0.000 0.451 370 Q N -0.433 119.408 119.800 0.067 0.000 2.045 370 Q HA -0.182 4.165 4.340 0.012 0.000 0.206 370 Q C 2.340 178.395 176.000 0.092 0.000 0.991 370 Q CA 2.288 58.139 55.803 0.081 0.000 0.851 370 Q CB -0.268 28.520 28.738 0.085 0.000 0.911 370 Q HN 0.300 nan 8.270 nan 0.000 0.418 371 T N 0.993 115.613 114.554 0.110 0.000 2.684 371 T HA -0.157 4.200 4.350 0.012 0.000 0.267 371 T C 1.841 176.615 174.700 0.124 0.000 1.036 371 T CA 1.352 63.531 62.100 0.131 0.000 1.148 371 T CB -0.177 68.799 68.868 0.180 0.000 0.863 371 T HN 0.233 nan 8.240 nan 0.000 0.436 372 M N 0.459 120.135 119.600 0.126 0.000 2.117 372 M HA -0.095 4.392 4.480 0.012 0.000 0.262 372 M C 2.450 178.849 176.300 0.164 0.000 1.065 372 M CA 1.300 56.736 55.300 0.227 0.000 1.114 372 M CB -0.531 32.232 32.600 0.271 0.000 1.361 372 M HN 0.112 nan 8.290 nan 0.000 0.408 373 V N 0.151 120.106 119.914 0.068 0.000 2.358 373 V HA -0.286 3.842 4.120 0.012 0.000 0.246 373 V C 2.300 178.358 176.094 -0.061 0.000 1.047 373 V CA 2.041 64.311 62.300 -0.051 0.000 1.035 373 V CB -0.859 30.971 31.823 0.012 0.000 0.658 373 V HN 0.557 nan 8.190 nan 0.000 0.452 374 Q N -0.150 119.669 119.800 0.032 0.000 2.096 374 Q HA -0.275 4.072 4.340 0.012 0.000 0.204 374 Q C 1.945 177.999 176.000 0.089 0.000 0.982 374 Q CA 2.256 58.097 55.803 0.063 0.000 0.850 374 Q CB -0.156 28.640 28.738 0.096 0.000 0.901 374 Q HN 0.623 nan 8.270 nan 0.000 0.422 375 D N 0.438 120.904 120.400 0.110 0.000 2.084 375 D HA -0.149 4.498 4.640 0.012 0.000 0.194 375 D C 1.996 178.216 176.300 -0.132 0.000 0.990 375 D CA 1.314 55.365 54.000 0.085 0.000 0.826 375 D CB -0.271 40.554 40.800 0.041 0.000 0.971 375 D HN 0.370 nan 8.370 nan 0.000 0.453 376 I N 0.822 121.310 120.570 -0.137 0.000 2.208 376 I HA -0.258 3.919 4.170 0.012 0.000 0.245 376 I C 2.475 178.444 176.117 -0.247 0.000 1.097 376 I CA 0.721 61.851 61.300 -0.284 0.000 1.363 376 I CB -0.213 37.508 38.000 -0.466 0.000 1.051 376 I HN 0.007 nan 8.210 nan 0.000 0.413 377 L N 0.100 121.213 121.223 -0.184 0.000 2.017 377 L HA -0.228 4.119 4.340 0.012 0.000 0.208 377 L C 2.564 179.482 176.870 0.080 0.000 1.073 377 L CA 1.419 56.237 54.840 -0.037 0.000 0.745 377 L CB -0.538 41.515 42.059 -0.010 0.000 0.894 377 L HN 0.279 nan 8.230 nan 0.000 0.432 378 L N -1.098 120.191 121.223 0.110 0.000 2.093 378 L HA -0.224 4.123 4.340 0.012 0.000 0.208 378 L C 2.654 179.666 176.870 0.236 0.000 1.085 378 L CA 1.219 56.206 54.840 0.245 0.000 0.755 378 L CB -0.298 42.011 42.059 0.416 0.000 0.904 378 L HN 0.292 nan 8.230 nan 0.000 0.435 379 M N -0.481 119.085 119.600 -0.056 0.000 2.067 379 M HA -0.233 4.254 4.480 0.012 0.000 0.260 379 M C 2.286 178.662 176.300 0.127 0.000 1.069 379 M CA 1.911 57.114 55.300 -0.162 0.000 1.117 379 M CB -0.294 31.971 32.600 -0.558 0.000 1.334 379 M HN 0.056 nan 8.290 nan 0.000 0.407 380 K N -0.155 120.227 120.400 -0.030 0.000 2.097 380 K HA -0.166 4.161 4.320 0.012 0.000 0.205 380 K C 1.948 178.535 176.600 -0.022 0.000 1.050 380 K CA 1.176 57.356 56.287 -0.179 0.000 0.938 380 K CB -0.205 31.996 32.500 -0.499 0.000 0.718 380 K HN 0.435 nan 8.250 nan 0.000 0.442 381 Q N 0.368 120.312 119.800 0.240 0.000 2.364 381 Q HA -0.029 4.318 4.340 0.012 0.000 0.207 381 Q C 0.644 176.940 176.000 0.493 0.000 0.970 381 Q CA 0.707 56.769 55.803 0.432 0.000 0.888 381 Q CB 0.195 29.146 28.738 0.355 0.000 0.951 381 Q HN 0.252 nan 8.270 nan 0.000 0.469 382 N N 0.677 119.615 118.700 0.397 0.000 2.389 382 N HA 0.063 4.811 4.740 0.012 0.000 0.260 382 N C -0.789 174.833 175.510 0.186 0.000 1.191 382 N CA 0.005 53.280 53.050 0.375 0.000 0.885 382 N CB 0.702 39.486 38.487 0.496 0.000 1.162 382 N HN 0.150 nan 8.380 nan 0.000 0.512 383 N N 0.290 119.101 118.700 0.185 0.000 2.725 383 N HA -0.204 4.543 4.740 0.012 0.000 0.249 383 N C -0.873 174.571 175.510 -0.109 0.000 1.103 383 N CA 0.915 54.027 53.050 0.103 0.000 0.707 383 N CB -1.721 36.727 38.487 -0.064 0.000 1.043 383 N HN 0.292 nan 8.380 nan 0.000 0.553 384 F N 0.941 120.904 119.950 0.021 0.000 2.385 384 F HA 0.314 4.848 4.527 0.011 0.000 0.336 384 F C 1.706 177.497 175.800 -0.015 0.000 1.100 384 F CA -0.663 57.331 58.000 -0.009 0.000 1.116 384 F CB 0.990 39.965 39.000 -0.040 0.000 1.166 384 F HN 0.038 nan 8.300 nan 0.000 0.511 385 N N 0.861 119.679 118.700 0.196 0.000 2.143 385 N HA 0.407 5.154 4.740 0.012 0.000 0.222 385 N C -0.838 174.740 175.510 0.114 0.000 1.264 385 N CA -0.007 53.099 53.050 0.092 0.000 0.897 385 N CB 0.724 39.320 38.487 0.182 0.000 1.092 385 N HN 0.451 nan 8.380 nan 0.000 0.516 386 A N -0.432 122.509 122.820 0.202 0.000 2.587 386 A HA 0.785 5.112 4.320 0.012 0.000 0.293 386 A C -1.710 176.086 177.584 0.354 0.000 1.087 386 A CA -0.720 51.494 52.037 0.296 0.000 0.692 386 A CB 1.956 21.129 19.000 0.288 0.000 1.291 386 A HN 0.256 nan 8.150 nan 0.000 0.407 387 V N 0.989 121.197 119.914 0.490 0.000 2.851 387 V HA 0.741 4.868 4.120 0.012 0.000 0.307 387 V C -0.785 175.492 176.094 0.304 0.000 1.129 387 V CA -0.669 61.880 62.300 0.415 0.000 0.932 387 V CB 1.903 33.879 31.823 0.255 0.000 1.024 387 V HN 1.090 nan 8.190 nan 0.000 0.426 388 R N 4.925 125.452 120.500 0.046 0.000 2.294 388 R HA 0.465 4.812 4.340 0.012 0.000 0.319 388 R C -0.541 175.631 176.300 -0.213 0.000 0.984 388 R CA -0.467 55.461 56.100 -0.285 0.000 0.861 388 R CB 1.034 30.946 30.300 -0.647 0.000 1.104 388 R HN 0.830 nan 8.270 nan 0.000 0.451 389 C N 4.331 123.534 119.300 -0.162 0.000 3.424 389 C HA 0.081 4.548 4.460 0.012 0.000 0.577 389 C C 0.660 175.379 174.990 -0.452 0.000 1.086 389 C CA -0.378 58.490 59.018 -0.250 0.000 1.153 389 C CB -2.185 25.526 27.740 -0.048 0.000 1.411 389 C HN 0.723 nan 8.230 nan 0.000 0.636 390 S N 1.150 116.474 115.700 -0.627 0.000 2.481 390 S HA 0.132 4.609 4.470 0.012 0.000 0.282 390 S C -0.084 173.636 174.600 -1.466 0.000 1.243 390 S CA 0.291 57.876 58.200 -1.026 0.000 1.078 390 S CB 0.036 62.588 63.200 -1.079 0.000 0.916 390 S HN 0.716 nan 8.310 nan 0.000 0.495 391 H N 3.938 122.441 119.070 -0.944 0.000 2.511 391 H HA 0.317 4.880 4.556 0.012 0.000 0.228 391 H C -1.103 174.119 175.328 -0.177 0.000 1.424 391 H CA -0.349 55.504 56.048 -0.326 0.000 1.321 391 H CB -0.123 29.634 29.762 -0.007 0.000 1.720 391 H HN 0.891 nan 8.280 nan 0.000 0.512 392 Y N -2.828 117.567 120.300 0.159 0.000 2.732 392 Y HA 0.414 4.971 4.550 0.012 0.000 0.342 392 Y C -3.391 172.612 175.900 0.172 0.000 1.203 392 Y CA -3.191 55.013 58.100 0.173 0.000 1.092 392 Y CB 0.012 38.582 38.460 0.183 0.000 1.345 392 Y HN -0.095 nan 8.280 nan 0.000 0.458 393 P HA 0.201 nan 4.420 nan 0.000 0.268 393 P C -0.720 176.868 177.300 0.480 0.000 1.204 393 P CA 0.287 63.635 63.100 0.414 0.000 0.768 393 P CB 0.614 32.483 31.700 0.282 0.000 0.842 394 N N 0.637 119.632 118.700 0.492 0.000 2.448 394 N HA 0.116 4.863 4.740 0.012 0.000 0.274 394 N C -0.096 175.640 175.510 0.376 0.000 1.239 394 N CA -0.402 52.849 53.050 0.334 0.000 0.982 394 N CB 0.007 38.484 38.487 -0.016 0.000 1.199 394 N HN 0.469 nan 8.380 nan 0.000 0.576 395 H N 2.270 121.440 119.070 0.166 0.000 3.034 395 H HA -0.003 4.560 4.556 0.012 0.000 0.324 395 H C -1.480 174.007 175.328 0.265 0.000 1.015 395 H CA -0.838 55.298 56.048 0.147 0.000 1.429 395 H CB 0.824 30.643 29.762 0.095 0.000 1.429 395 H HN 0.407 nan 8.280 nan 0.000 0.585 396 P HA -0.230 nan 4.420 nan 0.000 0.217 396 P C 1.768 179.359 177.300 0.485 0.000 1.151 396 P CA 0.806 64.147 63.100 0.400 0.000 0.849 396 P CB 0.272 32.071 31.700 0.166 0.000 0.787 397 L N -0.859 120.721 121.223 0.595 0.000 2.191 397 L HA -0.060 4.287 4.340 0.012 0.000 0.212 397 L C 2.465 179.485 176.870 0.250 0.000 1.103 397 L CA 1.425 56.481 54.840 0.360 0.000 0.769 397 L CB -1.530 40.671 42.059 0.237 0.000 0.908 397 L HN 0.025 nan 8.230 nan 0.000 0.438 398 W N -0.421 120.894 121.300 0.024 0.000 2.338 398 W HA -0.329 4.337 4.660 0.011 0.000 0.304 398 W C 2.070 178.430 176.519 -0.265 0.000 1.212 398 W CA 1.971 59.205 57.345 -0.185 0.000 1.264 398 W CB -0.393 28.859 29.460 -0.346 0.000 1.142 398 W HN 0.276 nan 8.180 nan 0.000 0.512 399 Y N 0.762 120.993 120.300 -0.115 0.000 2.242 399 Y HA -0.192 4.365 4.550 0.012 0.000 0.291 399 Y C 2.847 178.527 175.900 -0.366 0.000 1.137 399 Y CA 2.112 59.943 58.100 -0.448 0.000 1.181 399 Y CB -1.210 36.686 38.460 -0.940 0.000 0.989 399 Y HN -0.217 nan 8.280 nan 0.000 0.527 400 T N 0.591 115.145 114.554 -0.001 0.000 2.746 400 T HA -0.141 4.217 4.350 0.012 0.000 0.267 400 T C 2.004 176.727 174.700 0.039 0.000 1.039 400 T CA 1.281 63.455 62.100 0.123 0.000 1.142 400 T CB -0.498 68.489 68.868 0.199 0.000 0.866 400 T HN 0.241 nan 8.240 nan 0.000 0.444 401 L N 0.355 121.563 121.223 -0.026 0.000 2.093 401 L HA -0.092 4.255 4.340 0.012 0.000 0.208 401 L C 2.832 179.675 176.870 -0.044 0.000 1.085 401 L CA 0.888 55.739 54.840 0.019 0.000 0.755 401 L CB -0.705 41.340 42.059 -0.023 0.000 0.904 401 L HN 0.382 nan 8.230 nan 0.000 0.435 402 C N -0.211 118.908 119.300 -0.303 0.000 2.440 402 C HA -0.127 4.340 4.460 0.012 0.000 0.278 402 C C 2.406 177.429 174.990 0.055 0.000 1.295 402 C CA 0.338 59.211 59.018 -0.241 0.000 1.738 402 C CB -0.745 26.741 27.740 -0.424 0.000 1.987 402 C HN 0.541 nan 8.230 nan 0.000 0.492 403 D N 0.569 121.004 120.400 0.058 0.000 2.117 403 D HA -0.096 4.552 4.640 0.012 0.000 0.197 403 D C 2.374 178.845 176.300 0.285 0.000 0.987 403 D CA 1.191 55.283 54.000 0.153 0.000 0.829 403 D CB -0.352 40.492 40.800 0.073 0.000 0.961 403 D HN 0.540 nan 8.370 nan 0.000 0.460 404 R N -0.792 119.773 120.500 0.107 0.000 2.075 404 R HA -0.021 4.326 4.340 0.012 0.000 0.226 404 R C 2.210 178.444 176.300 -0.110 0.000 1.114 404 R CA 0.644 56.735 56.100 -0.015 0.000 0.972 404 R CB -0.208 29.997 30.300 -0.158 0.000 0.869 404 R HN 0.250 nan 8.270 nan 0.000 0.437 405 Y N -0.078 120.232 120.300 0.017 0.000 2.365 405 Y HA 0.168 4.725 4.550 0.012 0.000 0.293 405 Y C 1.099 176.940 175.900 -0.098 0.000 1.119 405 Y CA 0.986 59.071 58.100 -0.025 0.000 1.203 405 Y CB 0.390 38.804 38.460 -0.077 0.000 1.026 405 Y HN 0.263 nan 8.280 nan 0.000 0.549 406 G N 0.901 109.733 108.800 0.054 0.000 2.858 406 G HA2 -0.125 3.843 3.960 0.012 0.000 0.272 406 G HA3 -0.125 3.843 3.960 0.012 0.000 0.272 406 G C -1.133 173.610 174.900 -0.261 0.000 1.003 406 G CA -0.530 44.482 45.100 -0.147 0.000 1.241 406 G HN 0.162 nan 8.290 nan 0.000 0.569 407 L N 1.110 122.246 121.223 -0.144 0.000 2.464 407 L HA 0.486 4.834 4.340 0.012 0.000 0.266 407 L C -0.308 176.553 176.870 -0.015 0.000 0.965 407 L CA -1.372 53.353 54.840 -0.191 0.000 0.833 407 L CB 1.805 43.773 42.059 -0.152 0.000 1.296 407 L HN 0.327 nan 8.230 nan 0.000 0.405 408 Y N 2.074 122.493 120.300 0.199 0.000 2.359 408 Y HA 0.378 4.936 4.550 0.013 0.000 0.330 408 Y C 0.295 176.331 175.900 0.227 0.000 1.143 408 Y CA -0.465 57.792 58.100 0.261 0.000 1.318 408 Y CB 0.947 39.538 38.460 0.219 0.000 1.234 408 Y HN 0.116 nan 8.280 nan 0.000 0.522 409 V N 3.745 123.864 119.914 0.341 0.000 2.656 409 V HA 0.390 4.517 4.120 0.012 0.000 0.307 409 V C -0.684 175.509 176.094 0.165 0.000 1.051 409 V CA -1.091 61.355 62.300 0.243 0.000 0.893 409 V CB 2.031 33.967 31.823 0.188 0.000 0.999 409 V HN 0.451 nan 8.190 nan 0.000 0.426 410 V N 3.190 123.172 119.914 0.114 0.000 2.318 410 V HA 0.300 4.428 4.120 0.012 0.000 0.271 410 V C -0.181 175.962 176.094 0.082 0.000 1.030 410 V CA -0.361 61.952 62.300 0.022 0.000 0.844 410 V CB 1.247 32.974 31.823 -0.160 0.000 1.015 410 V HN 0.862 nan 8.190 nan 0.000 0.460 411 D N 4.230 124.716 120.400 0.144 0.000 2.312 411 D HA 0.229 4.876 4.640 0.012 0.000 0.252 411 D C -0.089 176.399 176.300 0.314 0.000 1.150 411 D CA 0.150 54.332 54.000 0.303 0.000 0.870 411 D CB 1.134 42.169 40.800 0.392 0.000 1.153 411 D HN 0.684 nan 8.370 nan 0.000 0.457 412 E N 1.792 122.142 120.200 0.251 0.000 2.199 412 E HA 0.580 4.937 4.350 0.012 0.000 0.265 412 E C -0.979 175.755 176.600 0.222 0.000 0.882 412 E CA -1.049 55.481 56.400 0.217 0.000 0.759 412 E CB 1.302 31.085 29.700 0.139 0.000 1.148 412 E HN 0.459 nan 8.360 nan 0.000 0.412 413 A N 3.915 126.856 122.820 0.201 0.000 2.520 413 A HA -0.006 4.321 4.320 0.012 0.000 0.235 413 A C 0.349 178.052 177.584 0.198 0.000 1.065 413 A CA -0.072 52.061 52.037 0.160 0.000 0.764 413 A CB 0.068 19.125 19.000 0.095 0.000 1.002 413 A HN 0.704 nan 8.150 nan 0.000 0.502 414 N N 1.331 120.156 118.700 0.209 0.000 3.050 414 N HA 0.290 5.037 4.740 0.012 0.000 0.289 414 N C -1.014 174.621 175.510 0.209 0.000 1.209 414 N CA 0.184 53.394 53.050 0.268 0.000 1.154 414 N CB -0.780 37.868 38.487 0.267 0.000 1.444 414 N HN 0.469 nan 8.380 nan 0.000 0.529 415 I N 1.074 121.762 120.570 0.196 0.000 2.531 415 I HA 0.252 4.429 4.170 0.012 0.000 0.283 415 I C -0.714 175.499 176.117 0.160 0.000 1.083 415 I CA -0.623 60.772 61.300 0.159 0.000 1.071 415 I CB 1.723 39.787 38.000 0.107 0.000 1.210 415 I HN 0.277 nan 8.210 nan 0.000 0.450 416 E N 4.356 124.648 120.200 0.153 0.000 2.274 416 E HA 0.416 4.773 4.350 0.012 0.000 0.269 416 E C -0.604 176.063 176.600 0.113 0.000 0.891 416 E CA -0.514 55.948 56.400 0.104 0.000 0.784 416 E CB 1.688 31.430 29.700 0.070 0.000 1.225 416 E HN 0.573 nan 8.360 nan 0.000 0.412 417 T N 0.654 115.267 114.554 0.098 0.000 3.448 417 T HA 0.171 4.528 4.350 0.012 0.000 0.271 417 T C 0.853 175.614 174.700 0.102 0.000 1.002 417 T CA -0.347 61.847 62.100 0.157 0.000 0.995 417 T CB -0.306 68.631 68.868 0.114 0.000 1.153 417 T HN 0.675 nan 8.240 nan 0.000 0.510 418 H N 1.313 120.307 119.070 -0.127 0.000 2.357 418 H HA -0.085 4.479 4.556 0.012 0.000 0.296 418 H C 2.346 177.562 175.328 -0.187 0.000 1.108 418 H CA 1.384 57.328 56.048 -0.174 0.000 1.273 418 H CB -0.189 29.434 29.762 -0.231 0.000 1.367 418 H HN 0.590 nan 8.280 nan 0.000 0.498 419 G N 0.209 108.866 108.800 -0.238 0.000 2.679 419 G HA2 -0.077 3.890 3.960 0.012 0.000 0.212 419 G HA3 -0.077 3.890 3.960 0.012 0.000 0.212 419 G C 0.503 175.545 174.900 0.236 0.000 1.137 419 G CA -0.070 44.946 45.100 -0.141 0.000 0.787 419 G HN 0.149 nan 8.290 nan 0.000 0.534 420 M N 0.206 119.974 119.600 0.281 0.000 2.198 420 M HA 0.343 4.830 4.480 0.012 0.000 0.315 420 M C -0.393 175.950 176.300 0.071 0.000 1.134 420 M CA -0.324 55.077 55.300 0.168 0.000 1.171 420 M CB 1.405 34.057 32.600 0.086 0.000 1.413 420 M HN -0.201 nan 8.290 nan 0.000 0.467 421 V N 3.923 123.855 119.914 0.030 0.000 2.462 421 V HA 0.324 4.451 4.120 0.012 0.000 0.288 421 V C -1.958 174.133 176.094 -0.004 0.000 1.020 421 V CA -1.240 61.065 62.300 0.008 0.000 0.857 421 V CB 1.758 33.582 31.823 0.001 0.000 1.013 421 V HN 0.742 nan 8.190 nan 0.000 0.431 422 P HA 0.228 nan 4.420 nan 0.000 0.275 422 P C 1.029 178.337 177.300 0.014 0.000 1.266 422 P CA -0.498 62.605 63.100 0.004 0.000 0.793 422 P CB 1.162 32.866 31.700 0.006 0.000 1.074 423 M N 0.705 120.319 119.600 0.023 0.000 2.267 423 M HA -0.173 4.314 4.480 0.012 0.000 0.263 423 M C 1.228 177.554 176.300 0.043 0.000 1.063 423 M CA 1.831 57.153 55.300 0.038 0.000 1.090 423 M CB -0.446 32.167 32.600 0.022 0.000 1.392 423 M HN 0.379 nan 8.290 nan 0.000 0.422 424 N N -0.200 118.526 118.700 0.043 0.000 2.295 424 N HA -0.055 4.692 4.740 0.012 0.000 0.221 424 N C 1.092 176.593 175.510 -0.014 0.000 1.129 424 N CA 0.076 53.155 53.050 0.049 0.000 0.836 424 N CB -0.676 37.863 38.487 0.086 0.000 1.040 424 N HN 0.370 nan 8.380 nan 0.000 0.494 425 R N 0.323 120.798 120.500 -0.042 0.000 2.127 425 R HA 0.027 4.374 4.340 0.012 0.000 0.238 425 R C 1.308 177.520 176.300 -0.147 0.000 1.134 425 R CA 1.195 57.248 56.100 -0.078 0.000 0.975 425 R CB 0.047 30.297 30.300 -0.083 0.000 0.865 425 R HN 0.286 nan 8.270 nan 0.000 0.447 426 L N -0.858 120.215 121.223 -0.249 0.000 2.253 426 L HA 0.028 4.375 4.340 0.012 0.000 0.205 426 L C 2.422 179.158 176.870 -0.224 0.000 1.078 426 L CA 1.131 55.701 54.840 -0.451 0.000 0.805 426 L CB -0.440 41.076 42.059 -0.905 0.000 0.963 426 L HN 0.303 nan 8.230 nan 0.000 0.459 427 T N -4.089 110.366 114.554 -0.165 0.000 3.007 427 T HA -0.172 4.185 4.350 0.012 0.000 0.270 427 T C 1.233 175.851 174.700 -0.136 0.000 1.107 427 T CA 1.298 63.289 62.100 -0.182 0.000 1.118 427 T CB -0.229 68.510 68.868 -0.216 0.000 0.889 427 T HN 0.125 nan 8.240 nan 0.000 0.506 428 D N 0.949 121.306 120.400 -0.071 0.000 2.349 428 D HA 0.098 4.745 4.640 0.012 0.000 0.214 428 D C -0.287 176.002 176.300 -0.018 0.000 1.063 428 D CA -0.223 53.747 54.000 -0.049 0.000 0.847 428 D CB -0.041 40.742 40.800 -0.028 0.000 0.933 428 D HN 0.270 nan 8.370 nan 0.000 0.513 429 D N 0.108 120.512 120.400 0.007 0.000 2.373 429 D HA 0.110 4.757 4.640 0.012 0.000 0.227 429 D C -1.568 174.785 176.300 0.088 0.000 1.091 429 D CA -2.151 51.891 54.000 0.069 0.000 0.840 429 D CB 2.005 42.897 40.800 0.152 0.000 1.060 429 D HN 0.018 nan 8.370 nan 0.000 0.502 430 P HA -0.143 nan 4.420 nan 0.000 0.221 430 P C 0.843 178.147 177.300 0.006 0.000 1.145 430 P CA 0.694 63.804 63.100 0.016 0.000 0.795 430 P CB 0.357 32.057 31.700 0.000 0.000 0.775 431 R N -1.926 118.582 120.500 0.013 0.000 2.280 431 R HA -0.035 4.313 4.340 0.012 0.000 0.207 431 R C 1.492 177.666 176.300 -0.209 0.000 1.043 431 R CA 0.924 56.964 56.100 -0.100 0.000 1.006 431 R CB -0.472 29.749 30.300 -0.131 0.000 0.885 431 R HN 0.339 nan 8.270 nan 0.000 0.467 432 W N -0.197 121.052 121.300 -0.085 0.000 3.103 432 W HA 0.141 4.807 4.660 0.011 0.000 0.325 432 W C 1.526 177.989 176.519 -0.094 0.000 1.170 432 W CA -0.549 56.745 57.345 -0.085 0.000 1.712 432 W CB 0.082 29.490 29.460 -0.086 0.000 1.068 432 W HN -0.023 nan 8.180 nan 0.000 0.592 433 L N 2.256 123.518 121.223 0.064 0.000 2.043 433 L HA -0.089 4.259 4.340 0.012 0.000 0.212 433 L C -0.751 176.091 176.870 -0.048 0.000 1.075 433 L CA 2.351 57.184 54.840 -0.012 0.000 0.752 433 L CB -1.695 40.344 42.059 -0.034 0.000 0.891 433 L HN -0.220 nan 8.230 nan 0.000 0.432 434 P HA -0.154 nan 4.420 nan 0.000 0.214 434 P C 1.598 178.855 177.300 -0.073 0.000 1.163 434 P CA 2.182 65.228 63.100 -0.089 0.000 0.883 434 P CB -0.213 31.425 31.700 -0.104 0.000 0.788 435 A N -1.485 121.311 122.820 -0.040 0.000 1.972 435 A HA -0.174 4.153 4.320 0.012 0.000 0.219 435 A C 2.197 179.804 177.584 0.038 0.000 1.169 435 A CA 1.702 53.751 52.037 0.019 0.000 0.635 435 A CB -1.351 17.705 19.000 0.093 0.000 0.810 435 A HN 0.114 nan 8.150 nan 0.000 0.446 436 M N -0.060 119.561 119.600 0.035 0.000 2.098 436 M HA -0.125 4.362 4.480 0.012 0.000 0.262 436 M C 2.599 178.838 176.300 -0.101 0.000 1.072 436 M CA 1.687 56.978 55.300 -0.015 0.000 1.133 436 M CB -0.317 32.255 32.600 -0.046 0.000 1.344 436 M HN 0.626 nan 8.290 nan 0.000 0.414 437 S N 0.057 115.667 115.700 -0.150 0.000 2.387 437 S HA -0.220 4.257 4.470 0.012 0.000 0.230 437 S C 1.673 176.090 174.600 -0.304 0.000 1.035 437 S CA 1.661 59.699 58.200 -0.271 0.000 1.014 437 S CB -0.639 62.382 63.200 -0.297 0.000 0.836 437 S HN 0.505 nan 8.310 nan 0.000 0.466 438 E N 0.882 120.962 120.200 -0.200 0.000 2.150 438 E HA -0.044 4.313 4.350 0.012 0.000 0.193 438 E C 2.349 178.861 176.600 -0.147 0.000 0.985 438 E CA 0.695 56.988 56.400 -0.178 0.000 0.814 438 E CB -0.008 29.627 29.700 -0.109 0.000 0.752 438 E HN 0.580 nan 8.360 nan 0.000 0.466 439 R N -0.515 119.926 120.500 -0.098 0.000 2.193 439 R HA -0.014 4.333 4.340 0.012 0.000 0.213 439 R C 2.049 178.301 176.300 -0.080 0.000 1.055 439 R CA 0.366 56.437 56.100 -0.048 0.000 0.995 439 R CB 0.307 30.619 30.300 0.019 0.000 0.893 439 R HN 0.039 nan 8.270 nan 0.000 0.459 440 V N 0.071 119.888 119.914 -0.161 0.000 2.436 440 V HA -0.155 3.972 4.120 0.012 0.000 0.240 440 V C 2.453 178.352 176.094 -0.324 0.000 1.040 440 V CA 2.061 64.242 62.300 -0.197 0.000 1.052 440 V CB -0.060 31.642 31.823 -0.202 0.000 0.707 440 V HN 0.462 nan 8.190 nan 0.000 0.469 441 T N -0.599 113.634 114.554 -0.535 0.000 2.746 441 T HA -0.245 4.113 4.350 0.012 0.000 0.267 441 T C 1.928 176.446 174.700 -0.302 0.000 1.039 441 T CA 1.441 63.124 62.100 -0.695 0.000 1.142 441 T CB -0.424 67.826 68.868 -1.031 0.000 0.866 441 T HN 0.384 nan 8.240 nan 0.000 0.444 442 R N 0.257 120.611 120.500 -0.243 0.000 2.148 442 R HA 0.194 4.541 4.340 0.012 0.000 0.227 442 R C 2.609 178.819 176.300 -0.151 0.000 1.103 442 R CA 1.297 57.295 56.100 -0.170 0.000 0.983 442 R CB -0.451 29.761 30.300 -0.147 0.000 0.874 442 R HN 0.509 nan 8.270 nan 0.000 0.451 443 M N 0.540 120.052 119.600 -0.147 0.000 2.098 443 M HA -0.134 4.353 4.480 0.012 0.000 0.262 443 M C 1.897 178.091 176.300 -0.177 0.000 1.072 443 M CA 1.640 56.880 55.300 -0.101 0.000 1.133 443 M CB 0.063 32.642 32.600 -0.036 0.000 1.344 443 M HN -0.043 nan 8.290 nan 0.000 0.414 444 V N 1.255 120.941 119.914 -0.380 0.000 2.287 444 V HA -0.316 3.811 4.120 0.012 0.000 0.248 444 V C 2.278 178.226 176.094 -0.242 0.000 1.053 444 V CA 2.171 64.098 62.300 -0.621 0.000 1.027 444 V CB -1.062 30.394 31.823 -0.611 0.000 0.646 444 V HN 0.607 nan 8.190 nan 0.000 0.447 445 Q N -0.801 118.911 119.800 -0.147 0.000 2.291 445 Q HA -0.188 4.159 4.340 0.012 0.000 0.205 445 Q C 2.430 178.346 176.000 -0.140 0.000 0.970 445 Q CA 1.215 56.957 55.803 -0.102 0.000 0.876 445 Q CB -0.146 28.561 28.738 -0.052 0.000 0.935 445 Q HN 0.548 nan 8.270 nan 0.000 0.455 446 R N 0.376 120.787 120.500 -0.148 0.000 2.090 446 R HA -0.065 4.282 4.340 0.012 0.000 0.219 446 R C 0.469 176.702 176.300 -0.111 0.000 1.100 446 R CA 1.133 57.131 56.100 -0.170 0.000 0.991 446 R CB 0.508 30.706 30.300 -0.169 0.000 0.893 446 R HN 0.167 nan 8.270 nan 0.000 0.443 447 D N 0.067 120.458 120.400 -0.015 0.000 2.398 447 D HA -0.005 4.642 4.640 0.012 0.000 0.210 447 D C 1.317 177.735 176.300 0.197 0.000 1.094 447 D CA 0.048 54.097 54.000 0.082 0.000 0.839 447 D CB 0.258 41.018 40.800 -0.067 0.000 0.963 447 D HN 0.362 nan 8.370 nan 0.000 0.506 448 R N 0.862 121.484 120.500 0.203 0.000 2.249 448 R HA -0.035 4.313 4.340 0.012 0.000 0.230 448 R C 0.836 177.134 176.300 -0.004 0.000 1.121 448 R CA 0.952 57.181 56.100 0.216 0.000 0.997 448 R CB -0.323 30.009 30.300 0.054 0.000 0.867 448 R HN -0.065 nan 8.270 nan 0.000 0.465 449 N N 0.198 118.822 118.700 -0.127 0.000 2.353 449 N HA -0.012 4.735 4.740 0.012 0.000 0.185 449 N C -0.394 174.989 175.510 -0.210 0.000 1.098 449 N CA 0.294 53.237 53.050 -0.179 0.000 0.872 449 N CB 0.048 38.398 38.487 -0.227 0.000 0.970 449 N HN 0.290 nan 8.380 nan 0.000 0.467 450 H N 1.884 120.885 119.070 -0.114 0.000 2.878 450 H HA 0.066 4.629 4.556 0.012 0.000 0.290 450 H C -1.132 174.040 175.328 -0.259 0.000 1.065 450 H CA -1.070 54.892 56.048 -0.143 0.000 1.477 450 H CB 1.290 31.000 29.762 -0.085 0.000 1.484 450 H HN 0.116 nan 8.280 nan 0.000 0.504 451 P HA -0.163 nan 4.420 nan 0.000 0.220 451 P C 1.451 178.258 177.300 -0.823 0.000 1.148 451 P CA 1.123 63.852 63.100 -0.618 0.000 0.803 451 P CB 0.332 31.466 31.700 -0.942 0.000 0.782 452 S N -0.492 114.840 115.700 -0.612 0.000 2.399 452 S HA -0.059 4.419 4.470 0.012 0.000 0.231 452 S C 1.172 175.769 174.600 -0.005 0.000 1.022 452 S CA 0.486 58.537 58.200 -0.247 0.000 0.983 452 S CB -1.584 61.602 63.200 -0.024 0.000 0.803 452 S HN -0.041 nan 8.310 nan 0.000 0.480 453 V N 3.716 123.590 119.914 -0.067 0.000 2.446 453 V HA 0.213 4.340 4.120 0.012 0.000 0.276 453 V C 1.088 177.056 176.094 -0.211 0.000 1.030 453 V CA 0.186 62.409 62.300 -0.129 0.000 1.033 453 V CB 0.380 32.020 31.823 -0.304 0.000 0.993 453 V HN 0.648 nan 8.190 nan 0.000 0.477 454 I N 2.683 123.183 120.570 -0.117 0.000 4.288 454 I HA 0.510 4.687 4.170 0.012 0.000 0.331 454 I C 0.308 176.318 176.117 -0.177 0.000 1.322 454 I CA 0.381 61.620 61.300 -0.102 0.000 1.149 454 I CB 0.512 38.542 38.000 0.050 0.000 1.112 454 I HN 0.311 nan 8.210 nan 0.000 0.403 455 I N 0.399 120.839 120.570 -0.218 0.000 2.656 455 I HA 0.351 4.528 4.170 0.012 0.000 0.292 455 I C -1.563 174.459 176.117 -0.158 0.000 1.144 455 I CA -0.397 60.815 61.300 -0.147 0.000 1.038 455 I CB 2.042 40.047 38.000 0.009 0.000 1.244 455 I HN 0.031 nan 8.210 nan 0.000 0.420 456 W N 4.086 125.438 121.300 0.086 0.000 2.417 456 W HA 0.590 5.256 4.660 0.010 0.000 0.317 456 W C 0.451 177.035 176.519 0.110 0.000 1.121 456 W CA -0.600 56.800 57.345 0.091 0.000 1.208 456 W CB 1.689 31.198 29.460 0.081 0.000 1.253 456 W HN 0.315 nan 8.180 nan 0.000 0.533 457 S N 3.005 118.936 115.700 0.384 0.000 2.500 457 S HA 0.398 4.875 4.470 0.012 0.000 0.301 457 S C 0.266 175.023 174.600 0.263 0.000 1.092 457 S CA -0.706 57.665 58.200 0.285 0.000 1.030 457 S CB 0.816 64.139 63.200 0.205 0.000 1.031 457 S HN 0.580 nan 8.310 nan 0.000 0.483 458 L N 4.172 125.537 121.223 0.238 0.000 2.610 458 L HA 0.334 4.681 4.340 0.012 0.000 0.232 458 L C 1.359 178.263 176.870 0.056 0.000 1.149 458 L CA 0.517 55.409 54.840 0.087 0.000 0.872 458 L CB -1.024 40.986 42.059 -0.082 0.000 0.992 458 L HN 0.989 nan 8.230 nan 0.000 0.447 459 G N -0.022 108.905 108.800 0.212 0.000 2.280 459 G HA2 -0.133 3.834 3.960 0.012 0.000 0.277 459 G HA3 -0.133 3.834 3.960 0.012 0.000 0.277 459 G C -1.626 173.468 174.900 0.324 0.000 1.288 459 G CA -0.600 44.640 45.100 0.234 0.000 1.075 459 G HN 0.164 nan 8.290 nan 0.000 0.480 460 N N 0.175 119.007 118.700 0.220 0.000 2.308 460 N HA 0.475 5.222 4.740 0.012 0.000 0.283 460 N C -0.468 175.005 175.510 -0.062 0.000 1.105 460 N CA 0.070 53.111 53.050 -0.014 0.000 0.840 460 N CB 1.593 39.797 38.487 -0.472 0.000 1.633 460 N HN 0.877 nan 8.380 nan 0.000 0.476 461 E N 0.740 120.818 120.200 -0.203 0.000 2.131 461 E HA -0.183 4.174 4.350 0.012 0.000 0.166 461 E C -0.828 175.706 176.600 -0.109 0.000 1.514 461 E CA 0.757 56.973 56.400 -0.307 0.000 0.646 461 E CB -1.300 27.985 29.700 -0.691 0.000 1.051 461 E HN 0.425 nan 8.360 nan 0.000 0.315 462 S N 0.099 115.861 115.700 0.104 0.000 2.941 462 S HA 0.393 4.870 4.470 0.012 0.000 0.251 462 S C 0.712 175.473 174.600 0.267 0.000 1.029 462 S CA -0.197 58.124 58.200 0.201 0.000 1.062 462 S CB 1.373 64.760 63.200 0.311 0.000 0.977 462 S HN 0.858 nan 8.310 nan 0.000 0.552 463 G N 2.068 110.948 108.800 0.134 0.000 2.578 463 G HA2 -0.275 3.692 3.960 0.012 0.000 0.275 463 G HA3 -0.275 3.692 3.960 0.012 0.000 0.275 463 G C -0.462 174.597 174.900 0.264 0.000 1.271 463 G CA 0.082 45.260 45.100 0.131 0.000 0.941 463 G HN 0.636 nan 8.290 nan 0.000 0.564 464 H N 0.631 119.801 119.070 0.167 0.000 2.823 464 H HA 0.570 5.133 4.556 0.012 0.000 0.332 464 H C 0.230 175.727 175.328 0.281 0.000 0.980 464 H CA 0.118 56.308 56.048 0.236 0.000 1.286 464 H CB 0.790 30.624 29.762 0.120 0.000 1.541 464 H HN 1.093 nan 8.280 nan 0.000 0.521 465 G N 1.431 110.251 108.800 0.032 0.000 2.630 465 G HA2 0.461 4.428 3.960 0.012 0.000 0.296 465 G HA3 0.461 4.428 3.960 0.012 0.000 0.296 465 G C 0.580 175.321 174.900 -0.264 0.000 1.285 465 G CA -0.143 44.868 45.100 -0.148 0.000 0.958 465 G HN 0.655 nan 8.290 nan 0.000 0.479 466 A N 0.383 123.105 122.820 -0.163 0.000 1.978 466 A HA -0.112 4.215 4.320 0.012 0.000 0.220 466 A C 2.139 179.678 177.584 -0.075 0.000 1.170 466 A CA 1.980 53.960 52.037 -0.094 0.000 0.636 466 A CB -0.450 18.527 19.000 -0.038 0.000 0.810 466 A HN 0.537 nan 8.150 nan 0.000 0.448 467 N N -0.342 118.281 118.700 -0.129 0.000 2.223 467 N HA -0.145 4.602 4.740 0.012 0.000 0.185 467 N C 1.394 176.804 175.510 -0.166 0.000 1.016 467 N CA 1.719 54.677 53.050 -0.154 0.000 0.863 467 N CB -0.657 37.701 38.487 -0.215 0.000 0.983 467 N HN 0.786 nan 8.380 nan 0.000 0.429 468 H N 0.345 119.357 119.070 -0.096 0.000 2.353 468 H HA -0.021 4.542 4.556 0.011 0.000 0.300 468 H C 1.273 176.643 175.328 0.070 0.000 1.090 468 H CA 1.343 57.347 56.048 -0.074 0.000 1.327 468 H CB 0.142 29.852 29.762 -0.086 0.000 1.383 468 H HN 0.215 nan 8.280 nan 0.000 0.508 469 D N 0.398 120.913 120.400 0.190 0.000 2.117 469 D HA -0.134 4.513 4.640 0.012 0.000 0.197 469 D C 2.308 178.755 176.300 0.244 0.000 0.987 469 D CA 1.150 55.289 54.000 0.231 0.000 0.829 469 D CB -0.390 40.509 40.800 0.165 0.000 0.961 469 D HN 0.427 nan 8.370 nan 0.000 0.460 470 A N 1.200 124.106 122.820 0.145 0.000 1.858 470 A HA -0.140 4.187 4.320 0.012 0.000 0.216 470 A C 2.446 180.133 177.584 0.172 0.000 1.190 470 A CA 1.045 53.162 52.037 0.132 0.000 0.617 470 A CB -0.891 18.146 19.000 0.060 0.000 0.827 470 A HN 0.189 nan 8.150 nan 0.000 0.443 471 L N -1.947 119.353 121.223 0.128 0.000 2.141 471 L HA -0.175 4.172 4.340 0.012 0.000 0.209 471 L C 2.616 179.621 176.870 0.225 0.000 1.094 471 L CA 1.683 56.601 54.840 0.130 0.000 0.763 471 L CB -0.707 41.355 42.059 0.005 0.000 0.908 471 L HN 0.651 nan 8.230 nan 0.000 0.437 472 Y N 1.210 121.592 120.300 0.136 0.000 2.181 472 Y HA -0.305 4.250 4.550 0.009 0.000 0.288 472 Y C 2.768 178.754 175.900 0.144 0.000 1.146 472 Y CA 1.696 59.885 58.100 0.148 0.000 1.164 472 Y CB -0.153 38.401 38.460 0.157 0.000 0.982 472 Y HN -0.039 nan 8.280 nan 0.000 0.515 473 R N -0.294 120.288 120.500 0.137 0.000 2.090 473 R HA -0.159 4.188 4.340 0.012 0.000 0.228 473 R C 2.016 178.309 176.300 -0.011 0.000 1.110 473 R CA 1.762 57.875 56.100 0.021 0.000 0.973 473 R CB -1.310 29.087 30.300 0.162 0.000 0.869 473 R HN 0.625 nan 8.270 nan 0.000 0.440 474 W N 0.536 121.789 121.300 -0.079 0.000 2.335 474 W HA -0.147 4.521 4.660 0.013 0.000 0.311 474 W C 1.534 177.964 176.519 -0.148 0.000 1.213 474 W CA 1.963 59.251 57.345 -0.094 0.000 1.274 474 W CB -0.207 29.202 29.460 -0.084 0.000 1.148 474 W HN 0.071 nan 8.180 nan 0.000 0.498 475 I N 0.774 121.361 120.570 0.028 0.000 2.226 475 I HA -0.331 3.846 4.170 0.012 0.000 0.245 475 I C 2.380 178.323 176.117 -0.290 0.000 1.100 475 I CA 1.252 62.438 61.300 -0.190 0.000 1.374 475 I CB -0.719 37.230 38.000 -0.085 0.000 1.057 475 I HN -0.126 nan 8.210 nan 0.000 0.413 476 K N 0.397 120.622 120.400 -0.292 0.000 2.152 476 K HA -0.153 4.174 4.320 0.012 0.000 0.206 476 K C 2.269 178.737 176.600 -0.221 0.000 1.048 476 K CA 1.476 57.612 56.287 -0.252 0.000 0.933 476 K CB -0.565 31.741 32.500 -0.323 0.000 0.721 476 K HN 0.277 nan 8.250 nan 0.000 0.447 477 S N 0.969 116.496 115.700 -0.288 0.000 2.371 477 S HA -0.088 4.389 4.470 0.012 0.000 0.224 477 S C 2.049 176.431 174.600 -0.363 0.000 1.029 477 S CA 1.271 59.296 58.200 -0.292 0.000 0.978 477 S CB -0.126 62.888 63.200 -0.309 0.000 0.833 477 S HN 0.159 nan 8.310 nan 0.000 0.466 478 V N -0.833 118.731 119.914 -0.583 0.000 2.725 478 V HA 0.295 4.423 4.120 0.012 0.000 0.247 478 V C 0.450 176.334 176.094 -0.350 0.000 1.058 478 V CA 1.359 63.323 62.300 -0.559 0.000 1.080 478 V CB -0.457 30.789 31.823 -0.961 0.000 0.713 478 V HN 0.461 nan 8.190 nan 0.000 0.465 479 D N 1.245 121.481 120.400 -0.274 0.000 2.405 479 D HA 0.349 4.996 4.640 0.012 0.000 0.264 479 D C -1.886 174.409 176.300 -0.010 0.000 1.240 479 D CA -1.868 52.079 54.000 -0.090 0.000 0.893 479 D CB 1.552 42.385 40.800 0.055 0.000 1.198 479 D HN 0.239 nan 8.370 nan 0.000 0.514 480 P HA -0.044 nan 4.420 nan 0.000 0.242 480 P C 0.873 178.190 177.300 0.029 0.000 1.197 480 P CA 0.322 63.416 63.100 -0.011 0.000 0.765 480 P CB 0.173 31.856 31.700 -0.028 0.000 0.936 481 S N -1.067 114.660 115.700 0.044 0.000 2.562 481 S HA 0.093 4.570 4.470 0.012 0.000 0.221 481 S C 0.907 175.533 174.600 0.044 0.000 0.975 481 S CA -0.323 57.906 58.200 0.049 0.000 0.918 481 S CB -0.305 62.918 63.200 0.037 0.000 0.772 481 S HN 0.105 nan 8.310 nan 0.000 0.531 482 R N 1.227 121.766 120.500 0.065 0.000 2.628 482 R HA 0.536 4.883 4.340 0.012 0.000 0.288 482 R C -3.234 173.114 176.300 0.081 0.000 0.980 482 R CA -2.236 53.868 56.100 0.008 0.000 0.891 482 R CB 1.454 31.631 30.300 -0.206 0.000 1.188 482 R HN 0.150 nan 8.270 nan 0.000 0.450 483 P HA 0.086 nan 4.420 nan 0.000 0.272 483 P C -0.824 176.577 177.300 0.168 0.000 1.230 483 P CA -0.370 62.792 63.100 0.104 0.000 0.788 483 P CB 0.705 32.451 31.700 0.076 0.000 0.949 484 V N 2.357 122.407 119.914 0.226 0.000 2.495 484 V HA 0.435 4.562 4.120 0.012 0.000 0.298 484 V C 0.082 176.368 176.094 0.321 0.000 1.031 484 V CA -0.347 62.137 62.300 0.308 0.000 0.871 484 V CB 1.196 33.193 31.823 0.291 0.000 0.988 484 V HN 0.605 nan 8.190 nan 0.000 0.432 485 Q N 3.771 123.738 119.800 0.278 0.000 2.433 485 Q HA 0.812 5.159 4.340 0.012 0.000 0.279 485 Q C -1.904 174.269 176.000 0.288 0.000 1.105 485 Q CA -0.932 55.004 55.803 0.221 0.000 0.815 485 Q CB 3.009 31.820 28.738 0.122 0.000 1.403 485 Q HN 0.631 nan 8.270 nan 0.000 0.435 486 Y N 0.369 120.692 120.300 0.039 0.000 2.376 486 Y HA 0.153 4.710 4.550 0.011 0.000 0.321 486 Y C -0.472 175.387 175.900 -0.069 0.000 1.189 486 Y CA -0.854 57.242 58.100 -0.007 0.000 1.069 486 Y CB 2.077 40.535 38.460 -0.004 0.000 1.292 486 Y HN 0.959 nan 8.280 nan 0.000 0.430 487 E N 3.407 123.207 120.200 -0.668 0.000 2.299 487 E HA 0.110 4.467 4.350 0.012 0.000 0.193 487 E C 0.660 176.830 176.600 -0.717 0.000 0.998 487 E CA 0.770 56.838 56.400 -0.554 0.000 0.851 487 E CB 0.173 29.664 29.700 -0.349 0.000 0.795 487 E HN 0.892 nan 8.360 nan 0.000 0.492 488 G N 0.063 108.006 108.800 -1.427 0.000 2.368 488 G HA2 0.187 4.154 3.960 0.012 0.000 0.233 488 G HA3 0.187 4.154 3.960 0.012 0.000 0.233 488 G C 0.821 175.532 174.900 -0.314 0.000 1.267 488 G CA 0.343 44.945 45.100 -0.830 0.000 0.873 488 G HN 0.365 nan 8.290 nan 0.000 0.539 489 G N 0.006 108.738 108.800 -0.114 0.000 2.198 489 G HA2 0.223 4.190 3.960 0.012 0.000 0.260 489 G HA3 0.223 4.190 3.960 0.012 0.000 0.260 489 G C 1.227 176.110 174.900 -0.029 0.000 1.025 489 G CA 1.054 46.153 45.100 -0.003 0.000 0.769 489 G HN 2.589 nan 8.290 nan 0.000 0.507 490 G N -1.926 106.859 108.800 -0.024 0.000 2.273 490 G HA2 0.441 4.408 3.960 0.012 0.000 0.162 490 G HA3 0.441 4.408 3.960 0.012 0.000 0.162 490 G C 1.073 176.078 174.900 0.175 0.000 1.006 490 G CA 1.293 46.446 45.100 0.088 0.000 0.704 490 G HN 2.295 nan 8.290 nan 0.000 0.487 491 A N 0.008 122.812 122.820 -0.027 0.000 3.721 491 A HA -0.161 4.166 4.320 0.012 0.000 0.270 491 A C 1.149 178.645 177.584 -0.148 0.000 1.036 491 A CA 2.726 54.685 52.037 -0.130 0.000 1.102 491 A CB -1.769 17.130 19.000 -0.168 0.000 1.100 491 A HN 2.075 nan 8.150 nan 0.000 0.887 492 D N -0.956 119.441 120.400 -0.004 0.000 2.692 492 D HA 0.297 4.945 4.640 0.012 0.000 0.290 492 D C 0.404 176.686 176.300 -0.031 0.000 1.455 492 D CA 0.857 54.861 54.000 0.008 0.000 0.796 492 D CB -1.172 39.767 40.800 0.231 0.000 1.131 492 D HN 0.812 nan 8.370 nan 0.000 0.467 493 T N -2.399 112.068 114.554 -0.146 0.000 2.698 493 T HA 0.196 4.553 4.350 0.012 0.000 0.295 493 T C 1.624 176.189 174.700 -0.224 0.000 1.007 493 T CA 0.479 62.416 62.100 -0.272 0.000 0.980 493 T CB 0.770 69.212 68.868 -0.709 0.000 1.036 493 T HN 0.084 nan 8.240 nan 0.000 0.526 494 T N -2.634 111.787 114.554 -0.221 0.000 3.163 494 T HA 0.195 4.552 4.350 0.012 0.000 0.260 494 T C 1.593 176.063 174.700 -0.383 0.000 1.156 494 T CA 0.303 62.293 62.100 -0.183 0.000 1.072 494 T CB -0.522 68.314 68.868 -0.053 0.000 0.937 494 T HN 0.822 nan 8.240 nan 0.000 0.528 495 A N 0.428 123.071 122.820 -0.294 0.000 2.379 495 A HA 0.489 4.816 4.320 0.012 0.000 0.236 495 A C 0.895 178.307 177.584 -0.286 0.000 1.272 495 A CA -0.180 51.644 52.037 -0.356 0.000 0.886 495 A CB 0.019 19.135 19.000 0.194 0.000 0.962 495 A HN 0.444 nan 8.150 nan 0.000 0.504 496 T N -1.367 113.028 114.554 -0.265 0.000 2.952 496 T HA 0.348 4.706 4.350 0.012 0.000 0.305 496 T C -0.617 174.097 174.700 0.024 0.000 1.064 496 T CA -0.487 61.610 62.100 -0.004 0.000 1.008 496 T CB 1.192 70.066 68.868 0.009 0.000 1.078 496 T HN 0.111 nan 8.240 nan 0.000 0.459 497 D N 3.008 123.509 120.400 0.168 0.000 2.348 497 D HA 0.220 4.867 4.640 0.012 0.000 0.211 497 D C 0.451 176.785 176.300 0.058 0.000 0.998 497 D CA 0.708 54.793 54.000 0.142 0.000 0.873 497 D CB 0.521 41.438 40.800 0.196 0.000 0.925 497 D HN 0.546 nan 8.370 nan 0.000 0.524 498 I N 1.158 121.745 120.570 0.029 0.000 2.498 498 I HA 0.254 4.431 4.170 0.012 0.000 0.290 498 I C -0.080 175.976 176.117 -0.102 0.000 1.032 498 I CA -0.887 60.396 61.300 -0.029 0.000 1.073 498 I CB 2.749 40.744 38.000 -0.010 0.000 1.251 498 I HN -0.358 nan 8.210 nan 0.000 0.426 499 I N 5.858 126.322 120.570 -0.177 0.000 2.494 499 I HA 0.036 4.213 4.170 0.012 0.000 0.289 499 I C 0.201 176.116 176.117 -0.338 0.000 1.106 499 I CA 0.003 61.100 61.300 -0.339 0.000 1.369 499 I CB 0.034 37.733 38.000 -0.502 0.000 1.410 499 I HN 0.673 nan 8.210 nan 0.000 0.523 500 C N 6.084 125.202 119.300 -0.303 0.000 3.273 500 C HA 0.487 4.954 4.460 0.012 0.000 0.227 500 C C -1.961 172.890 174.990 -0.231 0.000 1.409 500 C CA -2.314 56.573 59.018 -0.219 0.000 1.516 500 C CB -0.796 26.874 27.740 -0.117 0.000 1.853 500 C HN 0.442 nan 8.230 nan 0.000 0.472 501 P HA 0.334 nan 4.420 nan 0.000 0.274 501 P C -0.562 176.692 177.300 -0.076 0.000 1.246 501 P CA 0.203 63.202 63.100 -0.168 0.000 0.795 501 P CB 0.974 32.569 31.700 -0.174 0.000 1.006 502 M N 0.023 119.611 119.600 -0.020 0.000 2.181 502 M HA 0.427 4.914 4.480 0.012 0.000 0.323 502 M C -0.914 175.390 176.300 0.006 0.000 1.004 502 M CA -0.729 54.462 55.300 -0.183 0.000 0.941 502 M CB 1.293 33.784 32.600 -0.182 0.000 1.579 502 M HN 0.235 nan 8.290 nan 0.000 0.427 503 Y N -0.350 120.131 120.300 0.301 0.000 4.409 503 Y HA -0.205 4.352 4.550 0.012 0.000 0.228 503 Y C 0.490 176.573 175.900 0.304 0.000 1.108 503 Y CA 0.579 58.862 58.100 0.305 0.000 1.955 503 Y CB -2.452 36.168 38.460 0.267 0.000 1.615 503 Y HN 0.972 nan 8.280 nan 0.000 0.665 504 A N 0.965 124.012 122.820 0.378 0.000 2.440 504 A HA 0.589 4.916 4.320 0.012 0.000 0.251 504 A C 0.799 178.607 177.584 0.373 0.000 1.089 504 A CA -0.489 51.770 52.037 0.370 0.000 0.779 504 A CB 0.405 19.667 19.000 0.437 0.000 1.022 504 A HN 0.395 nan 8.150 nan 0.000 0.492 505 R N 1.455 122.103 120.500 0.247 0.000 2.583 505 R HA 0.330 4.677 4.340 0.012 0.000 0.268 505 R C 1.025 177.306 176.300 -0.031 0.000 1.101 505 R CA -0.711 55.465 56.100 0.127 0.000 1.180 505 R CB 0.564 30.902 30.300 0.063 0.000 1.128 505 R HN 0.488 nan 8.270 nan 0.000 0.568 506 V N 0.666 120.403 119.914 -0.295 0.000 2.283 506 V HA -0.200 3.927 4.120 0.012 0.000 0.243 506 V C 0.976 176.958 176.094 -0.187 0.000 1.039 506 V CA 1.895 63.986 62.300 -0.347 0.000 1.016 506 V CB -0.268 31.228 31.823 -0.545 0.000 0.650 506 V HN 0.751 nan 8.190 nan 0.000 0.449 507 D N -1.368 118.952 120.400 -0.133 0.000 2.455 507 D HA 0.084 4.731 4.640 0.012 0.000 0.228 507 D C 0.964 177.246 176.300 -0.030 0.000 1.070 507 D CA 0.033 53.988 54.000 -0.075 0.000 0.881 507 D CB 0.601 41.359 40.800 -0.069 0.000 1.087 507 D HN 0.521 nan 8.370 nan 0.000 0.498 508 E N 2.019 122.205 120.200 -0.024 0.000 2.229 508 E HA 0.098 4.456 4.350 0.012 0.000 0.283 508 E C -0.748 175.850 176.600 -0.003 0.000 1.030 508 E CA -0.542 55.852 56.400 -0.010 0.000 0.836 508 E CB 0.871 30.565 29.700 -0.010 0.000 1.068 508 E HN -0.210 nan 8.360 nan 0.000 0.401 509 D N 3.671 124.072 120.400 0.001 0.000 2.329 509 D HA 0.135 4.783 4.640 0.012 0.000 0.246 509 D C -0.548 175.646 176.300 -0.178 0.000 1.111 509 D CA 0.161 54.157 54.000 -0.007 0.000 0.941 509 D CB 1.165 42.041 40.800 0.128 0.000 1.169 509 D HN 0.445 nan 8.370 nan 0.000 0.441 510 Q N 1.086 120.650 119.800 -0.393 0.000 3.244 510 Q HA 0.215 4.562 4.340 0.012 0.000 0.249 510 Q C -2.252 173.109 176.000 -1.065 0.000 0.951 510 Q CA -1.403 53.955 55.803 -0.743 0.000 0.740 510 Q CB 2.282 30.546 28.738 -0.790 0.000 1.334 510 Q HN 0.197 nan 8.270 nan 0.000 0.448 511 P HA -0.048 nan 4.420 nan 0.000 0.237 511 P C -0.693 176.319 177.300 -0.479 0.000 1.701 511 P CA 0.055 62.737 63.100 -0.697 0.000 0.955 511 P CB -0.524 30.984 31.700 -0.319 0.000 1.937 512 F N 1.721 121.483 119.950 -0.314 0.000 2.518 512 F HA 0.220 4.754 4.527 0.011 0.000 0.359 512 F C -1.380 174.308 175.800 -0.186 0.000 1.118 512 F CA -2.439 55.444 58.000 -0.195 0.000 1.287 512 F CB -1.079 37.828 39.000 -0.155 0.000 1.132 512 F HN 0.067 nan 8.300 nan 0.000 0.587 513 P HA 0.215 nan 4.420 nan 0.000 0.268 513 P C 0.305 177.616 177.300 0.019 0.000 1.205 513 P CA 1.282 64.397 63.100 0.024 0.000 0.771 513 P CB 0.987 32.703 31.700 0.026 0.000 0.858 514 A N 2.468 125.293 122.820 0.008 0.000 2.066 514 A HA -0.256 4.071 4.320 0.012 0.000 0.231 514 A C 0.779 178.368 177.584 0.008 0.000 0.465 514 A CA 2.126 54.172 52.037 0.015 0.000 1.110 514 A CB -2.721 16.290 19.000 0.019 0.000 1.434 514 A HN 0.692 nan 8.150 nan 0.000 0.706 515 V N -2.701 117.215 119.914 0.003 0.000 2.454 515 V HA 0.579 4.706 4.120 0.012 0.000 0.255 515 V C -2.172 173.908 176.094 -0.022 0.000 1.009 515 V CA -1.255 61.048 62.300 0.005 0.000 1.149 515 V CB 0.627 32.464 31.823 0.024 0.000 1.418 515 V HN 0.580 nan 8.190 nan 0.000 0.567 516 P HA 0.270 nan 4.420 nan 0.000 0.272 516 P C -0.673 176.178 177.300 -0.750 0.000 1.223 516 P CA 0.017 62.718 63.100 -0.665 0.000 0.784 516 P CB 1.158 32.055 31.700 -1.340 0.000 0.923 517 K N 2.679 122.702 120.400 -0.628 0.000 2.414 517 K HA 0.211 4.538 4.320 0.012 0.000 0.251 517 K C -0.388 175.939 176.600 -0.454 0.000 1.037 517 K CA -0.277 55.838 56.287 -0.286 0.000 0.980 517 K CB 0.413 32.983 32.500 0.116 0.000 1.280 517 K HN 0.478 nan 8.250 nan 0.000 0.451 518 W N 1.383 122.366 121.300 -0.528 0.000 2.126 518 W HA 0.051 4.719 4.660 0.013 0.000 0.346 518 W C 1.293 177.810 176.519 -0.004 0.000 1.279 518 W CA -0.570 56.555 57.345 -0.367 0.000 1.259 518 W CB 0.527 29.592 29.460 -0.658 0.000 1.133 518 W HN 0.385 nan 8.180 nan 0.000 0.592 519 S N 3.242 119.093 115.700 0.253 0.000 2.552 519 S HA -0.054 4.423 4.470 0.012 0.000 0.289 519 S C 1.175 175.914 174.600 0.233 0.000 1.304 519 S CA -0.235 58.061 58.200 0.159 0.000 1.063 519 S CB 0.174 63.411 63.200 0.063 0.000 0.848 519 S HN 0.532 nan 8.310 nan 0.000 0.499 520 I N 2.025 122.709 120.570 0.189 0.000 2.264 520 I HA -0.195 3.982 4.170 0.012 0.000 0.248 520 I C 2.060 178.212 176.117 0.057 0.000 1.111 520 I CA 1.386 62.798 61.300 0.186 0.000 1.382 520 I CB -0.482 37.576 38.000 0.096 0.000 1.060 520 I HN 0.625 nan 8.210 nan 0.000 0.418 521 K N 1.436 121.765 120.400 -0.118 0.000 2.057 521 K HA -0.180 4.148 4.320 0.012 0.000 0.207 521 K C 2.303 178.903 176.600 -0.000 0.000 1.049 521 K CA 1.802 57.937 56.287 -0.254 0.000 0.931 521 K CB -0.230 32.026 32.500 -0.406 0.000 0.714 521 K HN 0.416 nan 8.250 nan 0.000 0.440 522 K N 0.202 120.623 120.400 0.034 0.000 2.103 522 K HA -0.158 4.169 4.320 0.012 0.000 0.204 522 K C 1.906 178.537 176.600 0.051 0.000 1.052 522 K CA 0.739 57.033 56.287 0.012 0.000 0.945 522 K CB -0.053 32.417 32.500 -0.050 0.000 0.722 522 K HN 0.208 nan 8.250 nan 0.000 0.443 523 W N 2.171 123.466 121.300 -0.008 0.000 2.321 523 W HA -0.202 4.463 4.660 0.009 0.000 0.306 523 W C 1.611 178.124 176.519 -0.010 0.000 1.217 523 W CA 1.186 58.545 57.345 0.023 0.000 1.257 523 W CB -0.595 28.940 29.460 0.126 0.000 1.145 523 W HN 0.096 nan 8.180 nan 0.000 0.509 524 L N 0.686 122.074 121.223 0.275 0.000 2.042 524 L HA -0.253 4.094 4.340 0.012 0.000 0.210 524 L C 2.282 179.223 176.870 0.117 0.000 1.076 524 L CA 2.064 56.998 54.840 0.156 0.000 0.749 524 L CB -1.141 40.996 42.059 0.130 0.000 0.893 524 L HN -0.031 nan 8.230 nan 0.000 0.432 525 S N -1.207 114.546 115.700 0.088 0.000 2.597 525 S HA 0.245 4.722 4.470 0.012 0.000 0.224 525 S C 0.600 175.193 174.600 -0.012 0.000 0.955 525 S CA -0.505 57.717 58.200 0.037 0.000 0.933 525 S CB -0.525 62.695 63.200 0.032 0.000 0.788 525 S HN 0.157 nan 8.310 nan 0.000 0.488 526 L N 2.009 123.216 121.223 -0.026 0.000 2.514 526 L HA 0.199 4.546 4.340 0.012 0.000 0.280 526 L C -2.235 174.608 176.870 -0.045 0.000 1.223 526 L CA -1.631 53.148 54.840 -0.102 0.000 0.864 526 L CB -0.410 41.567 42.059 -0.137 0.000 1.118 526 L HN 0.010 nan 8.230 nan 0.000 0.494 527 P HA -0.059 nan 4.420 nan 0.000 0.257 527 P C 0.749 178.044 177.300 -0.008 0.000 1.162 527 P CA 1.233 64.312 63.100 -0.034 0.000 0.762 527 P CB 0.408 32.081 31.700 -0.046 0.000 0.753 528 G N 1.944 110.746 108.800 0.004 0.000 2.199 528 G HA2 -0.265 3.702 3.960 0.012 0.000 0.254 528 G HA3 -0.265 3.702 3.960 0.012 0.000 0.254 528 G C 0.258 175.177 174.900 0.031 0.000 0.982 528 G CA 0.004 45.114 45.100 0.017 0.000 0.632 528 G HN 0.596 nan 8.290 nan 0.000 0.529 529 E N 1.022 121.246 120.200 0.040 0.000 2.289 529 E HA 0.612 4.969 4.350 0.012 0.000 0.278 529 E C 1.347 177.974 176.600 0.046 0.000 1.032 529 E CA 0.619 57.055 56.400 0.061 0.000 0.854 529 E CB 0.878 30.643 29.700 0.108 0.000 1.046 529 E HN 0.542 nan 8.360 nan 0.000 0.409 530 T N 0.511 115.088 114.554 0.038 0.000 3.046 530 T HA 0.311 4.669 4.350 0.012 0.000 0.270 530 T C 0.526 175.238 174.700 0.019 0.000 0.920 530 T CA -0.440 61.676 62.100 0.028 0.000 0.874 530 T CB 0.072 68.956 68.868 0.026 0.000 1.214 530 T HN 0.263 nan 8.240 nan 0.000 0.536 531 R N 2.681 123.189 120.500 0.013 0.000 2.679 531 R HA 0.416 4.763 4.340 0.012 0.000 0.269 531 R C -2.427 173.856 176.300 -0.028 0.000 1.076 531 R CA -1.641 54.455 56.100 -0.006 0.000 1.160 531 R CB 0.059 30.349 30.300 -0.018 0.000 1.054 531 R HN 0.291 nan 8.270 nan 0.000 0.507 532 P HA 0.097 nan 4.420 nan 0.000 0.276 532 P C -1.064 176.174 177.300 -0.104 0.000 1.244 532 P CA -0.203 62.862 63.100 -0.059 0.000 0.801 532 P CB 0.869 32.536 31.700 -0.055 0.000 1.006 533 L N 2.623 123.767 121.223 -0.131 0.000 2.349 533 L HA 0.579 4.926 4.340 0.012 0.000 0.278 533 L C -0.917 175.823 176.870 -0.216 0.000 0.996 533 L CA -0.776 53.949 54.840 -0.191 0.000 0.825 533 L CB 0.643 42.584 42.059 -0.196 0.000 1.243 533 L HN 0.256 nan 8.230 nan 0.000 0.412 534 I N 5.721 126.168 120.570 -0.206 0.000 2.500 534 I HA 0.248 4.425 4.170 0.012 0.000 0.286 534 I C -0.834 175.201 176.117 -0.136 0.000 1.063 534 I CA -0.585 60.585 61.300 -0.216 0.000 1.062 534 I CB 2.050 39.983 38.000 -0.112 0.000 1.223 534 I HN 0.473 nan 8.210 nan 0.000 0.435 535 L N 5.639 126.756 121.223 -0.178 0.000 2.418 535 L HA 0.059 4.406 4.340 0.012 0.000 0.274 535 L C 1.478 178.431 176.870 0.139 0.000 1.135 535 L CA -0.194 54.605 54.840 -0.068 0.000 0.870 535 L CB 0.636 42.623 42.059 -0.119 0.000 1.154 535 L HN 0.859 nan 8.230 nan 0.000 0.462 536 C N 0.310 119.665 119.300 0.091 0.000 2.446 536 C HA 0.113 4.580 4.460 0.012 0.000 0.279 536 C C 0.671 175.791 174.990 0.216 0.000 1.366 536 C CA -0.153 58.942 59.018 0.129 0.000 1.763 536 C CB -1.018 26.716 27.740 -0.010 0.000 1.929 536 C HN 0.824 nan 8.230 nan 0.000 0.509 537 E N -0.706 119.559 120.200 0.107 0.000 2.304 537 E HA 0.604 4.961 4.350 0.012 0.000 0.277 537 E C -1.389 175.138 176.600 -0.122 0.000 0.898 537 E CA -0.372 56.055 56.400 0.046 0.000 0.764 537 E CB 2.132 31.699 29.700 -0.222 0.000 1.216 537 E HN 0.590 nan 8.360 nan 0.000 0.419 538 Y N -0.611 119.654 120.300 -0.057 0.000 2.677 538 Y HA 0.593 5.151 4.550 0.013 0.000 0.334 538 Y C -0.851 175.208 175.900 0.266 0.000 1.196 538 Y CA -0.821 57.274 58.100 -0.007 0.000 1.059 538 Y CB 0.554 38.871 38.460 -0.239 0.000 1.315 538 Y HN 0.664 nan 8.280 nan 0.000 0.455 539 A N 2.161 125.046 122.820 0.109 0.000 2.303 539 A HA -0.248 4.079 4.320 0.012 0.000 0.286 539 A C -0.230 177.480 177.584 0.211 0.000 1.429 539 A CA 1.065 53.171 52.037 0.115 0.000 0.738 539 A CB -2.510 16.455 19.000 -0.059 0.000 1.149 539 A HN 1.241 nan 8.150 nan 0.000 0.364 540 H N 0.754 119.996 119.070 0.286 0.000 3.184 540 H HA 0.252 4.815 4.556 0.012 0.000 0.274 540 H C 1.117 176.523 175.328 0.130 0.000 0.962 540 H CA 0.888 57.116 56.048 0.298 0.000 1.441 540 H CB 0.485 30.345 29.762 0.163 0.000 1.518 540 H HN 0.808 nan 8.280 nan 0.000 0.539 541 A N 5.045 127.777 122.820 -0.146 0.000 2.648 541 A HA 0.330 4.657 4.320 0.012 0.000 0.269 541 A C 0.976 178.436 177.584 -0.207 0.000 1.392 541 A CA 0.096 52.027 52.037 -0.177 0.000 1.019 541 A CB -0.551 18.315 19.000 -0.224 0.000 1.009 541 A HN 0.728 nan 8.150 nan 0.000 0.565 542 A N 0.315 123.031 122.820 -0.173 0.000 2.438 542 A HA 0.533 4.860 4.320 0.012 0.000 0.280 542 A C 1.411 178.930 177.584 -0.108 0.000 1.160 542 A CA 0.554 52.541 52.037 -0.084 0.000 0.821 542 A CB -0.922 18.178 19.000 0.166 0.000 1.101 542 A HN 2.189 nan 8.150 nan 0.000 0.515 543 G N 2.568 111.270 108.800 -0.163 0.000 2.574 543 G HA2 -0.322 3.645 3.960 0.012 0.000 0.286 543 G HA3 -0.322 3.645 3.960 0.012 0.000 0.286 543 G C 0.439 174.895 174.900 -0.739 0.000 1.212 543 G CA 0.268 45.080 45.100 -0.479 0.000 0.979 543 G HN 1.176 nan 8.290 nan 0.000 0.557 544 N N 1.417 119.519 118.700 -0.997 0.000 2.605 544 N HA 0.426 5.173 4.740 0.012 0.000 0.282 544 N C 0.149 175.439 175.510 -0.365 0.000 1.206 544 N CA 1.161 53.797 53.050 -0.689 0.000 1.074 544 N CB 0.137 38.255 38.487 -0.614 0.000 1.434 544 N HN 0.778 nan 8.380 nan 0.000 0.506 545 S N 1.742 117.304 115.700 -0.230 0.000 3.081 545 S HA 0.592 5.069 4.470 0.012 0.000 0.316 545 S C -0.006 174.541 174.600 -0.090 0.000 1.089 545 S CA -0.391 57.727 58.200 -0.136 0.000 0.897 545 S CB 0.181 63.332 63.200 -0.082 0.000 1.358 545 S HN 0.344 nan 8.310 nan 0.000 0.678 546 L N 0.173 121.374 121.223 -0.038 0.000 4.140 546 L HA -0.049 4.298 4.340 0.012 0.000 0.406 546 L C 0.339 177.253 176.870 0.073 0.000 1.175 546 L CA 0.893 55.728 54.840 -0.007 0.000 0.939 546 L CB -1.680 40.280 42.059 -0.165 0.000 2.105 546 L HN 0.691 nan 8.230 nan 0.000 0.803 547 G N -0.957 107.868 108.800 0.041 0.000 2.380 547 G HA2 0.523 4.490 3.960 0.012 0.000 0.262 547 G HA3 0.523 4.490 3.960 0.012 0.000 0.262 547 G C 1.158 176.120 174.900 0.105 0.000 1.243 547 G CA 0.097 45.202 45.100 0.007 0.000 0.865 547 G HN 1.373 nan 8.290 nan 0.000 0.513 548 G N 1.427 110.292 108.800 0.108 0.000 2.157 548 G HA2 -0.306 3.661 3.960 0.012 0.000 0.239 548 G HA3 -0.306 3.661 3.960 0.012 0.000 0.239 548 G C 0.963 176.059 174.900 0.326 0.000 0.982 548 G CA 0.684 45.900 45.100 0.194 0.000 0.650 548 G HN 0.737 nan 8.290 nan 0.000 0.527 549 F N 1.817 121.898 119.950 0.219 0.000 2.134 549 F HA 0.150 4.684 4.527 0.012 0.000 0.299 549 F C 2.700 178.710 175.800 0.350 0.000 1.097 549 F CA 2.414 60.616 58.000 0.337 0.000 1.264 549 F CB -0.541 38.600 39.000 0.234 0.000 1.001 549 F HN 0.352 nan 8.300 nan 0.000 0.479 550 A N -0.143 122.844 122.820 0.278 0.000 1.948 550 A HA -0.300 4.027 4.320 0.012 0.000 0.220 550 A C 2.315 179.918 177.584 0.032 0.000 1.177 550 A CA 2.024 54.152 52.037 0.151 0.000 0.636 550 A CB -0.913 18.187 19.000 0.166 0.000 0.815 550 A HN 0.462 nan 8.150 nan 0.000 0.449 551 K N -1.924 118.480 120.400 0.007 0.000 2.147 551 K HA -0.189 4.138 4.320 0.012 0.000 0.205 551 K C 1.720 178.093 176.600 -0.379 0.000 1.049 551 K CA 1.632 57.834 56.287 -0.141 0.000 0.936 551 K CB -0.301 32.117 32.500 -0.136 0.000 0.722 551 K HN 0.558 nan 8.250 nan 0.000 0.446 552 Y N -0.839 119.194 120.300 -0.444 0.000 2.133 552 Y HA -0.191 4.366 4.550 0.011 0.000 0.287 552 Y C 1.872 176.791 175.900 -1.635 0.000 1.134 552 Y CA 1.567 59.044 58.100 -1.039 0.000 1.133 552 Y CB -0.435 37.473 38.460 -0.919 0.000 0.987 552 Y HN 0.149 nan 8.280 nan 0.000 0.502 553 W N 0.062 120.932 121.300 -0.717 0.000 2.392 553 W HA -0.166 4.502 4.660 0.013 0.000 0.279 553 W C 2.538 178.882 176.519 -0.291 0.000 1.225 553 W CA 1.350 58.410 57.345 -0.474 0.000 1.233 553 W CB -0.354 28.911 29.460 -0.326 0.000 1.122 553 W HN 0.075 nan 8.180 nan 0.000 0.561 554 Q N 0.597 120.295 119.800 -0.170 0.000 2.123 554 Q HA -0.109 4.238 4.340 0.012 0.000 0.199 554 Q C 2.168 178.099 176.000 -0.116 0.000 0.966 554 Q CA 1.785 57.537 55.803 -0.085 0.000 0.845 554 Q CB -0.402 28.302 28.738 -0.057 0.000 0.907 554 Q HN 0.267 nan 8.270 nan 0.000 0.439 555 A N 0.134 122.786 122.820 -0.281 0.000 1.897 555 A HA -0.106 4.221 4.320 0.012 0.000 0.215 555 A C 1.785 179.315 177.584 -0.091 0.000 1.181 555 A CA 1.006 52.899 52.037 -0.239 0.000 0.620 555 A CB -0.754 17.978 19.000 -0.447 0.000 0.821 555 A HN 0.345 nan 8.150 nan 0.000 0.443 556 F N 0.341 120.113 119.950 -0.297 0.000 2.126 556 F HA -0.120 4.414 4.527 0.012 0.000 0.299 556 F C 2.488 178.185 175.800 -0.171 0.000 1.096 556 F CA 1.252 59.044 58.000 -0.347 0.000 1.255 556 F CB -0.814 37.752 39.000 -0.723 0.000 0.997 556 F HN 0.175 nan 8.300 nan 0.000 0.479 557 R N -0.247 120.300 120.500 0.078 0.000 2.153 557 R HA -0.122 4.225 4.340 0.012 0.000 0.218 557 R C 2.097 178.431 176.300 0.057 0.000 1.072 557 R CA 0.987 57.122 56.100 0.058 0.000 0.990 557 R CB -0.367 29.964 30.300 0.051 0.000 0.889 557 R HN 0.399 nan 8.270 nan 0.000 0.452 558 Q N -0.226 119.638 119.800 0.106 0.000 2.163 558 Q HA -0.038 4.309 4.340 0.012 0.000 0.198 558 Q C -0.436 175.615 176.000 0.086 0.000 0.954 558 Q CA 0.827 56.694 55.803 0.107 0.000 0.851 558 Q CB 0.388 29.229 28.738 0.172 0.000 0.928 558 Q HN 0.169 nan 8.270 nan 0.000 0.459 559 Y N 0.493 120.777 120.300 -0.028 0.000 2.385 559 Y HA 0.280 4.837 4.550 0.011 0.000 0.341 559 Y C -1.811 174.068 175.900 -0.036 0.000 0.965 559 Y CA -2.882 55.203 58.100 -0.026 0.000 1.180 559 Y CB 1.295 39.745 38.460 -0.017 0.000 1.139 559 Y HN 0.148 nan 8.280 nan 0.000 0.502 560 P HA -0.209 nan 4.420 nan 0.000 0.216 560 P C 1.126 178.430 177.300 0.008 0.000 1.157 560 P CA 2.014 65.118 63.100 0.007 0.000 0.880 560 P CB 0.294 31.983 31.700 -0.018 0.000 0.791 561 R N -1.268 119.255 120.500 0.038 0.000 2.323 561 R HA 0.096 4.443 4.340 0.012 0.000 0.198 561 R C 0.423 176.710 176.300 -0.022 0.000 0.988 561 R CA 0.099 56.205 56.100 0.009 0.000 1.041 561 R CB -0.474 29.842 30.300 0.027 0.000 0.926 561 R HN 0.247 nan 8.270 nan 0.000 0.476 562 L N 1.803 123.031 121.223 0.007 0.000 2.282 562 L HA 0.131 4.478 4.340 0.012 0.000 0.287 562 L C 0.527 177.265 176.870 -0.219 0.000 1.075 562 L CA 0.166 54.967 54.840 -0.066 0.000 0.839 562 L CB 1.130 43.227 42.059 0.064 0.000 1.219 562 L HN 0.078 nan 8.230 nan 0.000 0.434 563 Q N 2.819 122.415 119.800 -0.340 0.000 2.211 563 Q HA 0.314 4.661 4.340 0.012 0.000 0.231 563 Q C 0.750 176.345 176.000 -0.675 0.000 0.865 563 Q CA 0.040 55.600 55.803 -0.405 0.000 0.997 563 Q CB 1.003 29.595 28.738 -0.244 0.000 1.101 563 Q HN 0.944 nan 8.270 nan 0.000 0.468 564 G N -0.549 107.455 108.800 -1.326 0.000 2.428 564 G HA2 0.115 4.082 3.960 0.012 0.000 0.202 564 G HA3 0.115 4.082 3.960 0.012 0.000 0.202 564 G C -0.334 173.765 174.900 -1.334 0.000 1.247 564 G CA -0.762 43.256 45.100 -1.804 0.000 1.020 564 G HN 0.549 nan 8.290 nan 0.000 0.529 565 G N -2.262 106.028 108.800 -0.850 0.000 2.349 565 G HA2 0.649 4.616 3.960 0.012 0.000 0.294 565 G HA3 0.649 4.616 3.960 0.012 0.000 0.294 565 G C -1.835 173.038 174.900 -0.045 0.000 1.380 565 G CA -0.323 44.528 45.100 -0.415 0.000 0.811 565 G HN 1.141 nan 8.290 nan 0.000 0.519 566 F N 0.800 120.978 119.950 0.380 0.000 2.403 566 F HA 0.511 5.044 4.527 0.011 0.000 0.355 566 F C 0.803 176.869 175.800 0.444 0.000 1.119 566 F CA -0.770 57.479 58.000 0.415 0.000 1.007 566 F CB 1.925 41.069 39.000 0.240 0.000 1.194 566 F HN 0.248 nan 8.300 nan 0.000 0.443 567 V N 3.276 123.468 119.914 0.462 0.000 2.901 567 V HA -0.155 3.972 4.120 0.012 0.000 0.307 567 V C -0.223 175.992 176.094 0.201 0.000 1.084 567 V CA -0.198 62.174 62.300 0.121 0.000 1.184 567 V CB 0.625 32.532 31.823 0.140 0.000 0.941 567 V HN 0.778 nan 8.190 nan 0.000 0.493 568 W N 6.523 127.865 121.300 0.071 0.000 2.336 568 W HA 0.467 5.134 4.660 0.011 0.000 0.315 568 W C -0.868 175.603 176.519 -0.080 0.000 1.016 568 W CA -0.659 56.746 57.345 0.101 0.000 1.318 568 W CB 1.324 30.985 29.460 0.335 0.000 1.247 568 W HN 0.932 nan 8.180 nan 0.000 0.414 569 D N 2.567 122.596 120.400 -0.618 0.000 2.921 569 D HA 0.075 4.722 4.640 0.012 0.000 0.329 569 D C 0.725 176.760 176.300 -0.441 0.000 1.293 569 D CA -0.506 53.039 54.000 -0.758 0.000 0.964 569 D CB 0.176 39.953 40.800 -1.705 0.000 1.435 569 D HN 0.389 nan 8.370 nan 0.000 0.548 570 W N 0.383 121.345 121.300 -0.563 0.000 2.380 570 W HA 0.116 4.783 4.660 0.012 0.000 0.317 570 W C 0.001 176.279 176.519 -0.402 0.000 1.196 570 W CA 1.401 58.477 57.345 -0.450 0.000 1.307 570 W CB 0.353 29.578 29.460 -0.392 0.000 1.157 570 W HN 0.145 nan 8.180 nan 0.000 0.483 571 V N 2.520 122.144 119.914 -0.483 0.000 2.709 571 V HA 0.242 4.370 4.120 0.012 0.000 0.308 571 V C -0.826 175.052 176.094 -0.359 0.000 1.062 571 V CA -0.867 61.124 62.300 -0.514 0.000 0.901 571 V CB 1.530 33.169 31.823 -0.307 0.000 1.003 571 V HN -0.096 nan 8.190 nan 0.000 0.425 572 D N 4.178 124.376 120.400 -0.337 0.000 2.488 572 D HA 0.077 4.724 4.640 0.012 0.000 0.238 572 D C 0.263 176.412 176.300 -0.252 0.000 1.138 572 D CA 0.649 54.517 54.000 -0.222 0.000 0.873 572 D CB 0.900 41.671 40.800 -0.049 0.000 1.183 572 D HN 0.630 nan 8.370 nan 0.000 0.458 573 Q N 0.979 120.560 119.800 -0.365 0.000 2.894 573 Q HA 0.120 4.467 4.340 0.012 0.000 0.358 573 Q C -0.159 175.762 176.000 -0.132 0.000 1.155 573 Q CA -0.319 55.030 55.803 -0.756 0.000 0.960 573 Q CB 0.109 28.519 28.738 -0.547 0.000 1.428 573 Q HN 0.353 nan 8.270 nan 0.000 0.437 574 S N -0.227 115.533 115.700 0.100 0.000 2.585 574 S HA 0.616 5.093 4.470 0.012 0.000 0.277 574 S C -0.130 174.615 174.600 0.243 0.000 1.241 574 S CA -0.763 57.600 58.200 0.272 0.000 1.041 574 S CB 1.403 64.745 63.200 0.237 0.000 0.987 574 S HN 0.305 nan 8.310 nan 0.000 0.512 575 L N 2.113 123.394 121.223 0.097 0.000 2.342 575 L HA 0.529 4.876 4.340 0.012 0.000 0.271 575 L C -0.369 176.387 176.870 -0.191 0.000 1.008 575 L CA -1.225 53.556 54.840 -0.099 0.000 0.818 575 L CB 1.316 43.204 42.059 -0.286 0.000 1.296 575 L HN 0.539 nan 8.230 nan 0.000 0.427 576 I N 2.355 122.757 120.570 -0.280 0.000 2.441 576 I HA 0.286 4.463 4.170 0.012 0.000 0.287 576 I C 0.195 175.876 176.117 -0.728 0.000 1.049 576 I CA 0.052 61.050 61.300 -0.503 0.000 1.381 576 I CB 0.941 38.675 38.000 -0.443 0.000 1.409 576 I HN 0.614 nan 8.210 nan 0.000 0.523 577 K N 5.103 124.769 120.400 -1.222 0.000 2.378 577 K HA 0.611 4.939 4.320 0.012 0.000 0.244 577 K C -1.624 174.123 176.600 -1.421 0.000 1.039 577 K CA -0.741 54.761 56.287 -1.308 0.000 0.863 577 K CB 2.359 33.790 32.500 -1.782 0.000 1.326 577 K HN 0.229 nan 8.250 nan 0.000 0.460 578 Y N 0.555 120.645 120.300 -0.350 0.000 2.442 578 Y HA 0.152 4.709 4.550 0.012 0.000 0.344 578 Y C -0.230 175.848 175.900 0.297 0.000 0.976 578 Y CA -1.210 56.895 58.100 0.008 0.000 1.040 578 Y CB 1.394 39.843 38.460 -0.017 0.000 1.228 578 Y HN 0.668 nan 8.280 nan 0.000 0.451 579 D N -0.066 120.633 120.400 0.498 0.000 2.433 579 D HA 0.091 4.738 4.640 0.012 0.000 0.255 579 D C 0.657 177.073 176.300 0.193 0.000 1.226 579 D CA -0.388 53.796 54.000 0.306 0.000 1.015 579 D CB 0.799 41.705 40.800 0.176 0.000 1.091 579 D HN 0.406 nan 8.370 nan 0.000 0.527 580 E N -0.506 119.760 120.200 0.110 0.000 2.267 580 E HA -0.130 4.227 4.350 0.012 0.000 0.197 580 E C 0.653 177.290 176.600 0.062 0.000 0.998 580 E CA 0.651 57.093 56.400 0.070 0.000 0.830 580 E CB -0.346 29.376 29.700 0.037 0.000 0.751 580 E HN 0.430 nan 8.360 nan 0.000 0.491 581 N N 0.022 118.767 118.700 0.076 0.000 2.370 581 N HA 0.024 4.771 4.740 0.012 0.000 0.198 581 N C 0.925 176.482 175.510 0.077 0.000 1.156 581 N CA 0.762 53.849 53.050 0.063 0.000 0.839 581 N CB 0.857 39.380 38.487 0.059 0.000 0.989 581 N HN 0.226 nan 8.380 nan 0.000 0.468 582 G N 0.990 109.852 108.800 0.102 0.000 2.166 582 G HA2 -0.266 3.701 3.960 0.012 0.000 0.260 582 G HA3 -0.266 3.701 3.960 0.012 0.000 0.260 582 G C -0.049 174.975 174.900 0.206 0.000 0.986 582 G CA -0.136 45.018 45.100 0.089 0.000 0.683 582 G HN 0.308 nan 8.290 nan 0.000 0.527 583 N N 1.408 120.260 118.700 0.254 0.000 2.498 583 N HA 0.450 5.197 4.740 0.012 0.000 0.287 583 N C -2.456 173.260 175.510 0.343 0.000 1.097 583 N CA -1.166 52.046 53.050 0.270 0.000 0.973 583 N CB 1.906 40.502 38.487 0.181 0.000 1.153 583 N HN 0.191 nan 8.380 nan 0.000 0.472 584 P HA 0.283 nan 4.420 nan 0.000 0.284 584 P C -0.699 176.586 177.300 -0.026 0.000 1.253 584 P CA -0.345 62.663 63.100 -0.152 0.000 0.800 584 P CB 0.712 32.322 31.700 -0.150 0.000 0.961 585 W N 0.101 121.182 121.300 -0.364 0.000 3.217 585 W HA 0.384 5.051 4.660 0.012 0.000 0.323 585 W C -1.408 174.912 176.519 -0.331 0.000 1.216 585 W CA -1.089 56.039 57.345 -0.362 0.000 1.194 585 W CB 0.360 29.411 29.460 -0.683 0.000 1.397 585 W HN 0.135 nan 8.180 nan 0.000 0.537 586 S N 1.911 117.625 115.700 0.024 0.000 2.481 586 S HA 0.521 4.998 4.470 0.012 0.000 0.276 586 S C 0.245 174.932 174.600 0.144 0.000 1.247 586 S CA -0.136 58.077 58.200 0.021 0.000 1.053 586 S CB 0.695 63.982 63.200 0.146 0.000 0.925 586 S HN 0.602 nan 8.310 nan 0.000 0.491 587 A N 3.123 125.890 122.820 -0.090 0.000 2.337 587 A HA 0.868 5.195 4.320 0.012 0.000 0.331 587 A C -0.607 177.157 177.584 0.301 0.000 1.137 587 A CA -0.788 51.237 52.037 -0.021 0.000 0.807 587 A CB 0.672 19.344 19.000 -0.547 0.000 1.250 587 A HN 0.820 nan 8.150 nan 0.000 0.468 588 Y N -0.451 120.139 120.300 0.484 0.000 3.013 588 Y HA 0.778 5.335 4.550 0.012 0.000 0.310 588 Y C 0.777 177.046 175.900 0.615 0.000 1.450 588 Y CA -1.424 56.989 58.100 0.521 0.000 1.091 588 Y CB -0.213 38.384 38.460 0.227 0.000 1.373 588 Y HN 0.898 nan 8.280 nan 0.000 0.590 589 G N -0.231 108.964 108.800 0.658 0.000 2.287 589 G HA2 0.346 4.313 3.960 0.012 0.000 0.235 589 G HA3 0.346 4.313 3.960 0.012 0.000 0.235 589 G C 0.987 176.213 174.900 0.544 0.000 1.258 589 G CA 0.521 45.937 45.100 0.527 0.000 0.884 589 G HN 1.953 nan 8.290 nan 0.000 0.518 590 G N 2.090 111.170 108.800 0.466 0.000 2.284 590 G HA2 -0.288 3.679 3.960 0.012 0.000 0.247 590 G HA3 -0.288 3.679 3.960 0.012 0.000 0.247 590 G C 0.896 175.984 174.900 0.313 0.000 1.012 590 G CA 0.673 45.985 45.100 0.353 0.000 0.618 590 G HN 0.665 nan 8.290 nan 0.000 0.521 591 D N -0.115 120.474 120.400 0.314 0.000 2.371 591 D HA 0.181 4.828 4.640 0.012 0.000 0.234 591 D C 0.974 177.128 176.300 -0.244 0.000 1.049 591 D CA 0.519 54.537 54.000 0.029 0.000 0.907 591 D CB -0.222 40.508 40.800 -0.117 0.000 0.891 591 D HN 0.483 nan 8.370 nan 0.000 0.531 592 F N -1.154 118.908 119.950 0.186 0.000 2.791 592 F HA 0.309 4.843 4.527 0.012 0.000 0.316 592 F C 1.715 177.594 175.800 0.132 0.000 1.134 592 F CA -0.330 57.744 58.000 0.124 0.000 1.222 592 F CB 0.924 39.989 39.000 0.108 0.000 1.034 592 F HN -0.041 nan 8.300 nan 0.000 0.516 593 G N 0.332 109.289 108.800 0.261 0.000 2.205 593 G HA2 -0.290 3.677 3.960 0.012 0.000 0.261 593 G HA3 -0.290 3.677 3.960 0.012 0.000 0.261 593 G C -0.059 174.974 174.900 0.221 0.000 0.980 593 G CA 0.188 45.408 45.100 0.200 0.000 0.632 593 G HN 0.429 nan 8.290 nan 0.000 0.533 594 D N 0.591 121.170 120.400 0.298 0.000 2.450 594 D HA 0.470 5.117 4.640 0.012 0.000 0.247 594 D C 0.077 176.497 176.300 0.201 0.000 1.162 594 D CA 1.159 55.323 54.000 0.272 0.000 0.879 594 D CB 1.464 42.485 40.800 0.368 0.000 1.163 594 D HN 0.404 nan 8.370 nan 0.000 0.472 595 T N 1.375 116.016 114.554 0.145 0.000 3.087 595 T HA 0.383 4.740 4.350 0.012 0.000 0.351 595 T C -2.811 171.926 174.700 0.062 0.000 1.520 595 T CA -1.121 61.035 62.100 0.094 0.000 1.111 595 T CB 0.964 69.887 68.868 0.093 0.000 1.353 595 T HN 0.227 nan 8.240 nan 0.000 0.481 596 P HA 0.464 nan 4.420 nan 0.000 0.269 596 P C -0.909 176.376 177.300 -0.025 0.000 1.215 596 P CA -0.189 62.907 63.100 -0.005 0.000 0.780 596 P CB 0.334 32.010 31.700 -0.039 0.000 0.898 597 N N -1.256 117.424 118.700 -0.032 0.000 2.732 597 N HA 0.314 5.061 4.740 0.012 0.000 0.259 597 N C -1.285 174.170 175.510 -0.092 0.000 1.402 597 N CA -0.787 52.218 53.050 -0.074 0.000 0.829 597 N CB 1.003 39.529 38.487 0.066 0.000 1.495 597 N HN 0.070 nan 8.380 nan 0.000 0.511 598 D N 0.135 120.442 120.400 -0.156 0.000 2.772 598 D HA 0.210 4.857 4.640 0.012 0.000 0.272 598 D C 0.279 176.708 176.300 0.214 0.000 1.314 598 D CA -0.284 53.690 54.000 -0.045 0.000 0.835 598 D CB 0.209 40.903 40.800 -0.176 0.000 1.080 598 D HN 0.407 nan 8.370 nan 0.000 0.482 599 R N 1.255 121.902 120.500 0.245 0.000 3.641 599 R HA -0.271 4.076 4.340 0.012 0.000 0.527 599 R C 1.633 177.993 176.300 0.101 0.000 0.241 599 R CA 1.677 57.952 56.100 0.290 0.000 1.639 599 R CB -1.648 28.727 30.300 0.126 0.000 0.890 599 R HN 0.360 nan 8.270 nan 0.000 0.608 600 Q N 1.601 121.156 119.800 -0.409 0.000 2.444 600 Q HA 0.020 4.367 4.340 0.012 0.000 0.206 600 Q C 1.814 177.696 176.000 -0.198 0.000 0.948 600 Q CA 1.011 56.417 55.803 -0.662 0.000 0.946 600 Q CB -0.281 27.863 28.738 -0.990 0.000 1.027 600 Q HN 0.622 nan 8.270 nan 0.000 0.513 601 F N 1.907 121.772 119.950 -0.142 0.000 2.664 601 F HA -0.129 4.405 4.527 0.011 0.000 0.297 601 F C 1.631 177.396 175.800 -0.058 0.000 1.164 601 F CA 0.617 58.610 58.000 -0.011 0.000 1.472 601 F CB 0.308 39.361 39.000 0.088 0.000 1.108 601 F HN 0.392 nan 8.300 nan 0.000 0.596 602 C N -0.558 118.451 119.300 -0.486 0.000 2.673 602 C HA 0.341 4.808 4.460 0.012 0.000 0.274 602 C C 0.639 175.386 174.990 -0.404 0.000 1.276 602 C CA -0.609 57.932 59.018 -0.795 0.000 1.701 602 C CB -1.666 25.053 27.740 -1.701 0.000 1.836 602 C HN 0.245 nan 8.230 nan 0.000 0.596 603 M N 2.478 121.920 119.600 -0.263 0.000 2.027 603 M HA 0.296 4.783 4.480 0.012 0.000 0.329 603 M C -0.603 175.596 176.300 -0.168 0.000 0.971 603 M CA 0.301 55.500 55.300 -0.168 0.000 0.933 603 M CB 0.226 32.792 32.600 -0.056 0.000 1.392 603 M HN 0.332 nan 8.290 nan 0.000 0.394 604 N N 0.685 119.242 118.700 -0.237 0.000 2.305 604 N HA 0.210 4.957 4.740 0.012 0.000 0.248 604 N C 0.373 175.642 175.510 -0.402 0.000 1.290 604 N CA -0.511 52.348 53.050 -0.318 0.000 0.873 604 N CB 1.221 39.507 38.487 -0.334 0.000 1.261 604 N HN 0.641 nan 8.380 nan 0.000 0.504 605 G N -0.041 108.502 108.800 -0.429 0.000 2.507 605 G HA2 0.342 4.309 3.960 0.012 0.000 0.271 605 G HA3 0.342 4.309 3.960 0.012 0.000 0.271 605 G C 0.653 175.078 174.900 -0.791 0.000 1.189 605 G CA -0.536 44.202 45.100 -0.603 0.000 0.859 605 G HN 0.138 nan 8.290 nan 0.000 0.542 606 L N -0.003 120.744 121.223 -0.793 0.000 2.418 606 L HA 0.147 4.494 4.340 0.012 0.000 0.218 606 L C 0.765 177.017 176.870 -1.031 0.000 1.125 606 L CA 0.273 54.669 54.840 -0.739 0.000 0.835 606 L CB -0.223 41.538 42.059 -0.497 0.000 0.953 606 L HN 0.400 nan 8.230 nan 0.000 0.454 607 V N -5.355 113.813 119.914 -1.244 0.000 2.962 607 V HA 0.492 4.620 4.120 0.012 0.000 0.313 607 V C -0.213 175.373 176.094 -0.847 0.000 1.099 607 V CA -1.262 60.439 62.300 -0.999 0.000 0.971 607 V CB 1.612 32.905 31.823 -0.884 0.000 1.028 607 V HN -0.164 nan 8.190 nan 0.000 0.430 608 F N 1.604 121.404 119.950 -0.249 0.000 2.480 608 F HA 0.572 5.106 4.527 0.012 0.000 0.319 608 F C 1.949 177.665 175.800 -0.140 0.000 1.230 608 F CA 0.658 58.632 58.000 -0.044 0.000 1.285 608 F CB 0.622 39.643 39.000 0.034 0.000 1.208 608 F HN 0.788 nan 8.300 nan 0.000 0.579 609 A N 0.600 123.510 122.820 0.151 0.000 1.978 609 A HA -0.211 4.116 4.320 0.012 0.000 0.220 609 A C 1.577 179.130 177.584 -0.052 0.000 1.170 609 A CA 1.879 53.945 52.037 0.049 0.000 0.636 609 A CB -1.026 18.032 19.000 0.096 0.000 0.810 609 A HN 0.772 nan 8.150 nan 0.000 0.448 610 D N -2.920 117.470 120.400 -0.017 0.000 2.319 610 D HA 0.147 4.794 4.640 0.012 0.000 0.230 610 D C 0.588 176.876 176.300 -0.021 0.000 1.094 610 D CA -0.077 53.883 54.000 -0.066 0.000 0.856 610 D CB -0.125 40.641 40.800 -0.058 0.000 0.915 610 D HN 0.175 nan 8.370 nan 0.000 0.517 611 R N -1.633 118.857 120.500 -0.017 0.000 3.919 611 R HA -0.122 4.226 4.340 0.012 0.000 0.412 611 R C -0.460 175.846 176.300 0.010 0.000 1.102 611 R CA 1.018 57.099 56.100 -0.033 0.000 1.082 611 R CB -3.251 27.067 30.300 0.030 0.000 1.671 611 R HN 0.254 nan 8.270 nan 0.000 0.540 612 T N 2.181 116.802 114.554 0.111 0.000 2.851 612 T HA 0.356 4.713 4.350 0.012 0.000 0.298 612 T C -2.297 172.528 174.700 0.208 0.000 0.977 612 T CA -0.937 61.273 62.100 0.183 0.000 1.126 612 T CB 1.142 70.149 68.868 0.232 0.000 0.916 612 T HN -0.093 nan 8.240 nan 0.000 0.529 613 P HA 0.139 nan 4.420 nan 0.000 0.271 613 P C -0.109 177.208 177.300 0.029 0.000 1.218 613 P CA -0.135 62.951 63.100 -0.025 0.000 0.780 613 P CB 0.410 32.110 31.700 0.001 0.000 0.901 614 H N 2.842 121.713 119.070 -0.333 0.000 2.495 614 H HA 0.141 4.704 4.556 0.012 0.000 0.350 614 H C -1.360 173.859 175.328 -0.181 0.000 1.202 614 H CA -2.045 53.786 56.048 -0.362 0.000 1.322 614 H CB 0.673 30.196 29.762 -0.397 0.000 1.544 614 H HN 0.330 nan 8.280 nan 0.000 0.565 615 P HA -0.159 nan 4.420 nan 0.000 0.219 615 P C 1.109 178.409 177.300 -0.000 0.000 1.146 615 P CA 1.407 64.497 63.100 -0.017 0.000 0.808 615 P CB 0.100 31.789 31.700 -0.018 0.000 0.779 616 A N -0.522 122.300 122.820 0.004 0.000 1.978 616 A HA -0.196 4.131 4.320 0.012 0.000 0.220 616 A C 2.059 179.591 177.584 -0.086 0.000 1.170 616 A CA 1.276 53.277 52.037 -0.059 0.000 0.636 616 A CB -1.613 17.328 19.000 -0.099 0.000 0.810 616 A HN 0.153 nan 8.150 nan 0.000 0.448 617 L N -0.054 121.135 121.223 -0.057 0.000 2.081 617 L HA -0.157 4.190 4.340 0.012 0.000 0.212 617 L C 2.413 179.325 176.870 0.069 0.000 1.080 617 L CA 2.749 57.590 54.840 0.002 0.000 0.754 617 L CB -1.003 41.054 42.059 -0.004 0.000 0.893 617 L HN 0.387 nan 8.230 nan 0.000 0.433 618 T N -1.296 113.304 114.554 0.077 0.000 2.867 618 T HA -0.163 4.194 4.350 0.012 0.000 0.268 618 T C 1.707 176.517 174.700 0.182 0.000 1.057 618 T CA 1.289 63.490 62.100 0.169 0.000 1.136 618 T CB -0.095 68.853 68.868 0.133 0.000 0.874 618 T HN 0.346 nan 8.240 nan 0.000 0.466 619 E N 1.511 121.760 120.200 0.082 0.000 2.072 619 E HA 0.028 4.385 4.350 0.012 0.000 0.191 619 E C 2.227 178.863 176.600 0.061 0.000 0.985 619 E CA 1.159 57.617 56.400 0.096 0.000 0.801 619 E CB -0.461 29.259 29.700 0.034 0.000 0.750 619 E HN 0.425 nan 8.360 nan 0.000 0.452 620 A N 1.021 123.768 122.820 -0.121 0.000 1.877 620 A HA -0.210 4.117 4.320 0.012 0.000 0.216 620 A C 2.166 179.647 177.584 -0.171 0.000 1.186 620 A CA 1.889 53.824 52.037 -0.170 0.000 0.620 620 A CB -0.623 18.236 19.000 -0.235 0.000 0.822 620 A HN 0.263 nan 8.150 nan 0.000 0.443 621 K N -1.208 119.151 120.400 -0.069 0.000 2.063 621 K HA -0.289 4.038 4.320 0.012 0.000 0.208 621 K C 2.054 178.531 176.600 -0.204 0.000 1.048 621 K CA 2.023 58.269 56.287 -0.068 0.000 0.928 621 K CB -0.348 32.257 32.500 0.175 0.000 0.713 621 K HN 0.641 nan 8.250 nan 0.000 0.442 622 H N 0.374 119.253 119.070 -0.318 0.000 2.326 622 H HA -0.024 4.539 4.556 0.012 0.000 0.301 622 H C 1.929 176.988 175.328 -0.447 0.000 1.081 622 H CA 1.831 57.517 56.048 -0.603 0.000 1.334 622 H CB 0.049 29.537 29.762 -0.458 0.000 1.385 622 H HN 0.226 nan 8.280 nan 0.000 0.504 623 Q N 0.188 119.748 119.800 -0.400 0.000 2.291 623 Q HA -0.080 4.267 4.340 0.012 0.000 0.205 623 Q C 1.480 176.948 176.000 -0.886 0.000 0.970 623 Q CA 1.118 56.607 55.803 -0.524 0.000 0.876 623 Q CB 0.080 28.662 28.738 -0.261 0.000 0.935 623 Q HN 0.705 nan 8.270 nan 0.000 0.455 624 Q N 0.058 119.295 119.800 -0.938 0.000 2.246 624 Q HA 0.087 4.434 4.340 0.012 0.000 0.202 624 Q C -0.191 175.246 176.000 -0.938 0.000 0.883 624 Q CA -0.225 54.860 55.803 -1.197 0.000 0.952 624 Q CB 0.414 28.477 28.738 -1.125 0.000 1.078 624 Q HN 0.374 nan 8.270 nan 0.000 0.493 625 Q N -0.337 119.064 119.800 -0.664 0.000 2.369 625 Q HA -0.060 4.287 4.340 0.012 0.000 0.295 625 Q C -0.181 175.465 176.000 -0.591 0.000 1.075 625 Q CA 0.445 55.987 55.803 -0.435 0.000 0.941 625 Q CB 0.424 28.995 28.738 -0.278 0.000 1.260 625 Q HN 0.302 nan 8.270 nan 0.000 0.417 626 F N 0.614 120.305 119.950 -0.433 0.000 2.727 626 F HA 0.216 4.750 4.527 0.011 0.000 0.302 626 F C -0.253 174.962 175.800 -0.975 0.000 1.097 626 F CA 0.000 57.505 58.000 -0.826 0.000 1.330 626 F CB 0.499 38.645 39.000 -1.424 0.000 1.084 626 F HN 0.304 nan 8.300 nan 0.000 0.578 627 F N 0.400 120.245 119.950 -0.174 0.000 2.539 627 F HA 0.469 5.004 4.527 0.013 0.000 0.318 627 F C -0.189 175.245 175.800 -0.610 0.000 1.135 627 F CA -1.187 56.607 58.000 -0.344 0.000 0.915 627 F CB 1.317 40.160 39.000 -0.262 0.000 1.176 627 F HN -0.302 nan 8.300 nan 0.000 0.440 628 Q N 3.138 122.658 119.800 -0.466 0.000 2.257 628 Q HA 0.622 4.969 4.340 0.012 0.000 0.262 628 Q C -1.309 174.380 176.000 -0.518 0.000 0.997 628 Q CA -0.628 54.953 55.803 -0.369 0.000 0.873 628 Q CB 2.748 31.402 28.738 -0.140 0.000 1.312 628 Q HN 0.504 nan 8.270 nan 0.000 0.450 629 F N -0.086 119.994 119.950 0.217 0.000 2.576 629 F HA 0.610 5.145 4.527 0.012 0.000 0.313 629 F C 0.263 176.317 175.800 0.424 0.000 1.078 629 F CA -0.873 57.337 58.000 0.350 0.000 0.921 629 F CB 1.851 41.204 39.000 0.587 0.000 1.232 629 F HN 0.143 nan 8.300 nan 0.000 0.459 630 R N 1.425 122.217 120.500 0.487 0.000 2.744 630 R HA 0.748 5.095 4.340 0.012 0.000 0.279 630 R C -1.991 174.323 176.300 0.023 0.000 0.977 630 R CA -1.222 55.068 56.100 0.317 0.000 0.906 630 R CB 3.048 33.445 30.300 0.162 0.000 1.197 630 R HN 0.592 nan 8.270 nan 0.000 0.463 631 L N 0.591 121.700 121.223 -0.190 0.000 2.365 631 L HA 0.565 4.912 4.340 0.012 0.000 0.273 631 L C -1.029 175.673 176.870 -0.280 0.000 1.000 631 L CA 0.022 54.539 54.840 -0.538 0.000 0.819 631 L CB 2.188 43.454 42.059 -1.323 0.000 1.284 631 L HN 0.568 nan 8.230 nan 0.000 0.418 632 S N 3.693 119.249 115.700 -0.240 0.000 2.673 632 S HA 0.664 5.141 4.470 0.012 0.000 0.256 632 S C 0.101 174.609 174.600 -0.153 0.000 1.141 632 S CA 0.251 58.361 58.200 -0.151 0.000 1.109 632 S CB -0.031 63.112 63.200 -0.095 0.000 1.101 632 S HN 1.653 nan 8.310 nan 0.000 0.471 633 G N 4.440 113.151 108.800 -0.148 0.000 2.556 633 G HA2 -0.264 3.703 3.960 0.012 0.000 0.283 633 G HA3 -0.264 3.703 3.960 0.012 0.000 0.283 633 G C 0.327 175.126 174.900 -0.168 0.000 1.177 633 G CA 0.429 45.449 45.100 -0.133 0.000 0.978 633 G HN 0.636 nan 8.290 nan 0.000 0.554 634 Q N 1.116 120.823 119.800 -0.154 0.000 2.320 634 Q HA 0.180 4.527 4.340 0.012 0.000 0.201 634 Q C 0.593 176.471 176.000 -0.203 0.000 0.910 634 Q CA 0.889 56.580 55.803 -0.186 0.000 0.946 634 Q CB 0.362 29.006 28.738 -0.157 0.000 1.062 634 Q HN 0.503 nan 8.270 nan 0.000 0.503 635 T N 1.442 115.888 114.554 -0.181 0.000 2.756 635 T HA 0.496 4.853 4.350 0.012 0.000 0.290 635 T C 0.271 174.861 174.700 -0.184 0.000 0.985 635 T CA -0.285 61.719 62.100 -0.160 0.000 0.955 635 T CB 0.953 69.756 68.868 -0.109 0.000 0.930 635 T HN 0.012 nan 8.240 nan 0.000 0.451 636 I N 2.936 123.405 120.570 -0.168 0.000 2.353 636 I HA 0.322 4.499 4.170 0.012 0.000 0.293 636 I C 0.574 176.681 176.117 -0.017 0.000 0.992 636 I CA -0.612 60.606 61.300 -0.138 0.000 1.268 636 I CB 1.294 39.236 38.000 -0.098 0.000 1.387 636 I HN 0.557 nan 8.210 nan 0.000 0.478 637 E N 6.574 126.793 120.200 0.032 0.000 2.113 637 E HA 0.431 4.789 4.350 0.012 0.000 0.273 637 E C -1.529 175.145 176.600 0.123 0.000 0.924 637 E CA -0.595 55.842 56.400 0.061 0.000 0.764 637 E CB 1.600 31.323 29.700 0.038 0.000 1.104 637 E HN 0.358 nan 8.360 nan 0.000 0.406 638 V N 3.987 123.958 119.914 0.094 0.000 2.427 638 V HA 0.363 4.490 4.120 0.012 0.000 0.286 638 V C -0.012 176.088 176.094 0.009 0.000 1.034 638 V CA -0.502 61.820 62.300 0.037 0.000 0.893 638 V CB 1.783 33.649 31.823 0.072 0.000 0.982 638 V HN 0.719 nan 8.190 nan 0.000 0.452 639 T N 3.040 117.564 114.554 -0.050 0.000 2.824 639 T HA 0.355 4.712 4.350 0.012 0.000 0.282 639 T C -0.195 174.497 174.700 -0.013 0.000 0.993 639 T CA -0.316 61.772 62.100 -0.021 0.000 0.967 639 T CB 1.615 70.455 68.868 -0.048 0.000 0.960 639 T HN 0.684 nan 8.240 nan 0.000 0.441 640 S N 1.618 117.321 115.700 0.004 0.000 2.525 640 S HA 0.247 4.724 4.470 0.012 0.000 0.278 640 S C 0.668 175.146 174.600 -0.203 0.000 1.234 640 S CA -0.552 57.582 58.200 -0.111 0.000 1.058 640 S CB 0.575 63.786 63.200 0.020 0.000 0.983 640 S HN 0.713 nan 8.310 nan 0.000 0.495 641 E N 2.850 122.830 120.200 -0.366 0.000 2.501 641 E HA 0.096 4.453 4.350 0.012 0.000 0.200 641 E C -0.910 175.536 176.600 -0.258 0.000 1.016 641 E CA -0.110 56.118 56.400 -0.286 0.000 0.921 641 E CB 0.324 29.830 29.700 -0.323 0.000 1.034 641 E HN 0.633 nan 8.360 nan 0.000 0.468 642 Y N 0.561 120.743 120.300 -0.196 0.000 2.346 642 Y HA 0.050 4.607 4.550 0.012 0.000 0.330 642 Y C 1.367 177.100 175.900 -0.278 0.000 1.178 642 Y CA 0.207 58.184 58.100 -0.204 0.000 1.331 642 Y CB 0.713 39.029 38.460 -0.241 0.000 1.253 642 Y HN -0.035 nan 8.280 nan 0.000 0.529 643 L N 1.400 122.449 121.223 -0.289 0.000 2.408 643 L HA 0.021 4.368 4.340 0.012 0.000 0.215 643 L C 0.675 177.066 176.870 -0.798 0.000 1.081 643 L CA 0.647 55.060 54.840 -0.711 0.000 0.840 643 L CB -0.014 41.286 42.059 -1.265 0.000 1.002 643 L HN 0.557 nan 8.230 nan 0.000 0.468 644 F N -0.579 119.380 119.950 0.016 0.000 2.640 644 F HA 0.207 4.741 4.527 0.011 0.000 0.285 644 F C 1.344 177.124 175.800 -0.034 0.000 1.031 644 F CA -0.754 57.229 58.000 -0.029 0.000 1.240 644 F CB -0.066 38.893 39.000 -0.068 0.000 1.011 644 F HN -0.131 nan 8.300 nan 0.000 0.656 645 R N 0.247 120.780 120.500 0.055 0.000 2.532 645 R HA 0.442 4.790 4.340 0.012 0.000 0.272 645 R C -0.988 175.307 176.300 -0.008 0.000 1.032 645 R CA -0.579 55.501 56.100 -0.033 0.000 1.089 645 R CB 0.774 30.944 30.300 -0.217 0.000 1.098 645 R HN 0.118 nan 8.270 nan 0.000 0.526 646 H N 0.236 119.284 119.070 -0.036 0.000 2.488 646 H HA 0.138 4.701 4.556 0.012 0.000 0.347 646 H C -0.109 175.238 175.328 0.031 0.000 1.174 646 H CA -0.038 56.026 56.048 0.026 0.000 1.307 646 H CB 1.358 31.139 29.762 0.032 0.000 1.517 646 H HN 0.759 nan 8.280 nan 0.000 0.554 647 S N 1.778 117.473 115.700 -0.008 0.000 4.175 647 S HA -0.023 4.455 4.470 0.012 0.000 0.193 647 S C 0.011 174.724 174.600 0.188 0.000 1.373 647 S CA -0.196 58.101 58.200 0.161 0.000 0.908 647 S CB -0.884 62.436 63.200 0.199 0.000 1.547 647 S HN 0.705 nan 8.310 nan 0.000 0.440 648 D N 0.462 120.966 120.400 0.174 0.000 2.336 648 D HA 0.024 4.671 4.640 0.012 0.000 0.229 648 D C 0.413 176.768 176.300 0.092 0.000 1.061 648 D CA -0.013 54.072 54.000 0.141 0.000 0.875 648 D CB -0.267 40.593 40.800 0.100 0.000 0.904 648 D HN 0.507 nan 8.370 nan 0.000 0.525 649 N N -0.053 118.705 118.700 0.097 0.000 2.639 649 N HA 0.170 4.917 4.740 0.012 0.000 0.265 649 N C -1.655 173.921 175.510 0.109 0.000 1.689 649 N CA -0.257 52.843 53.050 0.083 0.000 0.813 649 N CB 0.307 38.831 38.487 0.062 0.000 1.353 649 N HN -0.033 nan 8.380 nan 0.000 0.510 650 E N -0.191 120.066 120.200 0.096 0.000 2.352 650 E HA 0.571 4.928 4.350 0.012 0.000 0.280 650 E C -1.571 175.059 176.600 0.050 0.000 0.930 650 E CA -0.775 55.671 56.400 0.077 0.000 0.765 650 E CB 1.974 31.695 29.700 0.035 0.000 1.219 650 E HN 0.252 nan 8.360 nan 0.000 0.434 651 L N -0.454 120.805 121.223 0.060 0.000 2.434 651 L HA 0.717 5.064 4.340 0.012 0.000 0.260 651 L C -1.689 175.244 176.870 0.106 0.000 0.983 651 L CA -1.022 53.864 54.840 0.076 0.000 0.820 651 L CB 1.069 43.181 42.059 0.089 0.000 1.361 651 L HN 0.485 nan 8.230 nan 0.000 0.410 652 L N 2.960 124.263 121.223 0.133 0.000 2.257 652 L HA 0.497 4.844 4.340 0.012 0.000 0.290 652 L C -0.622 176.408 176.870 0.266 0.000 1.044 652 L CA 0.127 55.086 54.840 0.199 0.000 0.810 652 L CB 0.344 42.525 42.059 0.204 0.000 1.193 652 L HN 0.833 nan 8.230 nan 0.000 0.425 653 H N 6.394 125.560 119.070 0.161 0.000 2.519 653 H HA 0.306 4.869 4.556 0.012 0.000 0.316 653 H C -1.451 173.991 175.328 0.191 0.000 1.065 653 H CA -0.605 55.512 56.048 0.115 0.000 1.264 653 H CB 0.651 30.436 29.762 0.038 0.000 1.413 653 H HN 0.726 nan 8.280 nan 0.000 0.465 654 W N 5.158 126.416 121.300 -0.070 0.000 2.719 654 W HA 0.597 5.264 4.660 0.012 0.000 0.352 654 W C -1.732 174.776 176.519 -0.018 0.000 1.085 654 W CA -1.447 55.930 57.345 0.053 0.000 1.187 654 W CB 1.190 30.667 29.460 0.029 0.000 1.417 654 W HN 0.537 nan 8.180 nan 0.000 0.557 655 M N 2.937 122.708 119.600 0.284 0.000 2.284 655 M HA 0.462 4.949 4.480 0.012 0.000 0.281 655 M C -2.478 173.989 176.300 0.278 0.000 1.083 655 M CA -0.406 54.947 55.300 0.088 0.000 0.965 655 M CB 1.858 34.536 32.600 0.130 0.000 1.717 655 M HN 0.217 nan 8.290 nan 0.000 0.479 656 V N 4.264 124.326 119.914 0.247 0.000 2.384 656 V HA 0.998 5.126 4.120 0.012 0.000 0.287 656 V C -0.347 175.851 176.094 0.172 0.000 1.020 656 V CA -0.228 62.238 62.300 0.276 0.000 0.850 656 V CB 1.152 33.174 31.823 0.331 0.000 0.987 656 V HN 1.010 nan 8.190 nan 0.000 0.436 657 A N 4.714 127.650 122.820 0.194 0.000 2.475 657 A HA 0.869 5.196 4.320 0.012 0.000 0.301 657 A C -1.345 176.358 177.584 0.198 0.000 1.059 657 A CA -0.642 51.480 52.037 0.142 0.000 0.710 657 A CB 1.707 20.753 19.000 0.077 0.000 1.288 657 A HN 0.823 nan 8.150 nan 0.000 0.408 658 L N 1.790 123.097 121.223 0.141 0.000 2.272 658 L HA 0.460 4.807 4.340 0.012 0.000 0.284 658 L C -0.546 176.420 176.870 0.161 0.000 1.045 658 L CA 0.223 55.159 54.840 0.159 0.000 0.842 658 L CB -0.152 41.967 42.059 0.099 0.000 1.224 658 L HN 0.736 nan 8.230 nan 0.000 0.430 659 D N 4.800 125.366 120.400 0.277 0.000 2.697 659 D HA -0.214 4.434 4.640 0.012 0.000 0.235 659 D C 1.174 177.498 176.300 0.040 0.000 1.167 659 D CA 1.375 55.525 54.000 0.251 0.000 0.656 659 D CB -0.990 39.934 40.800 0.205 0.000 1.025 659 D HN 1.153 nan 8.370 nan 0.000 0.419 660 G N -0.427 108.350 108.800 -0.038 0.000 2.284 660 G HA2 -0.374 3.593 3.960 0.012 0.000 0.247 660 G HA3 -0.374 3.593 3.960 0.012 0.000 0.247 660 G C 0.347 175.168 174.900 -0.132 0.000 1.012 660 G CA 0.487 45.468 45.100 -0.198 0.000 0.618 660 G HN 0.475 nan 8.290 nan 0.000 0.521 661 K N 2.070 122.441 120.400 -0.048 0.000 2.310 661 K HA 0.424 4.751 4.320 0.012 0.000 0.290 661 K C -2.580 174.011 176.600 -0.015 0.000 1.077 661 K CA -1.624 54.642 56.287 -0.035 0.000 0.922 661 K CB 1.100 33.597 32.500 -0.006 0.000 1.057 661 K HN 0.106 nan 8.250 nan 0.000 0.479 662 P HA -0.018 nan 4.420 nan 0.000 0.266 662 P C -0.049 177.245 177.300 -0.009 0.000 1.215 662 P CA 0.293 63.375 63.100 -0.029 0.000 0.763 662 P CB 0.624 32.289 31.700 -0.058 0.000 0.806 663 L N 2.182 123.415 121.223 0.017 0.000 2.433 663 L HA 0.440 4.787 4.340 0.012 0.000 0.200 663 L C 0.943 177.825 176.870 0.020 0.000 1.059 663 L CA 0.473 55.331 54.840 0.030 0.000 0.835 663 L CB -0.010 42.088 42.059 0.064 0.000 1.076 663 L HN 0.356 nan 8.230 nan 0.000 0.481 664 A N -0.642 122.187 122.820 0.015 0.000 2.609 664 A HA 0.703 5.030 4.320 0.012 0.000 0.291 664 A C -0.839 176.546 177.584 -0.331 0.000 1.096 664 A CA 0.066 52.074 52.037 -0.047 0.000 0.684 664 A CB 1.814 20.909 19.000 0.158 0.000 1.282 664 A HN 0.121 nan 8.150 nan 0.000 0.412 665 S N -0.817 114.447 115.700 -0.727 0.000 2.661 665 S HA 0.974 5.451 4.470 0.012 0.000 0.268 665 S C -0.218 173.436 174.600 -1.577 0.000 1.162 665 S CA 0.122 57.509 58.200 -1.354 0.000 0.817 665 S CB 0.952 63.726 63.200 -0.710 0.000 1.141 665 S HN 2.779 nan 8.310 nan 0.000 0.477 666 G N -0.074 107.697 108.800 -1.714 0.000 2.320 666 G HA2 0.512 4.479 3.960 0.012 0.000 0.297 666 G HA3 0.512 4.479 3.960 0.012 0.000 0.297 666 G C -2.238 172.287 174.900 -0.625 0.000 1.344 666 G CA -0.208 44.379 45.100 -0.856 0.000 0.851 666 G HN 1.251 nan 8.290 nan 0.000 0.567 667 E N -1.706 118.459 120.200 -0.058 0.000 2.383 667 E HA 0.740 5.097 4.350 0.012 0.000 0.275 667 E C -1.512 175.198 176.600 0.184 0.000 0.918 667 E CA -1.110 55.346 56.400 0.093 0.000 0.764 667 E CB 2.799 32.518 29.700 0.032 0.000 1.252 667 E HN 0.570 nan 8.360 nan 0.000 0.449 668 V N 1.777 121.804 119.914 0.189 0.000 2.789 668 V HA 0.443 4.570 4.120 0.012 0.000 0.311 668 V C -2.445 173.713 176.094 0.105 0.000 1.073 668 V CA -2.127 60.255 62.300 0.136 0.000 0.921 668 V CB 2.019 33.916 31.823 0.123 0.000 1.009 668 V HN 0.688 nan 8.190 nan 0.000 0.426 669 P HA 0.289 nan 4.420 nan 0.000 0.271 669 P C -0.905 176.434 177.300 0.066 0.000 1.218 669 P CA -0.117 63.026 63.100 0.072 0.000 0.780 669 P CB 0.536 32.276 31.700 0.067 0.000 0.901 670 L N 3.005 124.260 121.223 0.053 0.000 2.265 670 L HA 0.334 4.681 4.340 0.012 0.000 0.289 670 L C 0.130 177.037 176.870 0.062 0.000 1.033 670 L CA 0.002 54.857 54.840 0.025 0.000 0.814 670 L CB 0.886 42.908 42.059 -0.062 0.000 1.203 670 L HN 0.322 nan 8.230 nan 0.000 0.423 671 D N 3.518 123.963 120.400 0.074 0.000 2.441 671 D HA 0.270 4.918 4.640 0.012 0.000 0.287 671 D C -1.326 174.993 176.300 0.032 0.000 1.198 671 D CA -0.089 54.002 54.000 0.152 0.000 0.894 671 D CB 1.273 42.193 40.800 0.200 0.000 1.070 671 D HN 0.088 nan 8.370 nan 0.000 0.499 672 V N 2.095 121.895 119.914 -0.191 0.000 2.487 672 V HA 0.839 4.966 4.120 0.012 0.000 0.298 672 V C -0.063 175.729 176.094 -0.504 0.000 1.028 672 V CA -0.559 61.629 62.300 -0.186 0.000 0.860 672 V CB 1.299 33.143 31.823 0.035 0.000 0.991 672 V HN 0.537 nan 8.190 nan 0.000 0.427 673 A N 9.136 131.803 122.820 -0.256 0.000 2.366 673 A HA 0.684 5.011 4.320 0.012 0.000 0.249 673 A C -2.390 175.171 177.584 -0.038 0.000 1.084 673 A CA -1.324 50.659 52.037 -0.090 0.000 0.794 673 A CB 0.006 19.075 19.000 0.116 0.000 1.034 673 A HN 0.753 nan 8.150 nan 0.000 0.491 674 P HA 0.009 nan 4.420 nan 0.000 0.265 674 P C -0.532 176.753 177.300 -0.025 0.000 1.193 674 P CA 0.574 63.673 63.100 -0.001 0.000 0.765 674 P CB 0.764 32.456 31.700 -0.013 0.000 0.823 675 Q N -1.136 118.635 119.800 -0.048 0.000 2.305 675 Q HA -0.157 4.190 4.340 0.012 0.000 0.203 675 Q C 0.764 176.748 176.000 -0.026 0.000 0.663 675 Q CA 1.815 57.585 55.803 -0.054 0.000 1.389 675 Q CB -2.513 26.190 28.738 -0.058 0.000 1.566 675 Q HN 0.790 nan 8.270 nan 0.000 0.755 676 G N 0.136 108.930 108.800 -0.010 0.000 0.000 676 G HA2 0.582 4.549 3.960 0.012 0.000 0.000 676 G HA3 0.582 4.549 3.960 0.012 0.000 0.000 676 G C -0.231 174.676 174.900 0.012 0.000 0.000 676 G CA -0.514 44.589 45.100 0.005 0.000 0.000 676 G HN -0.007 nan 8.290 nan 0.000 0.000 677 K N -0.833 119.578 120.400 0.019 0.000 2.443 677 K HA 0.521 4.848 4.320 0.012 0.000 0.251 677 K C -0.987 175.632 176.600 0.031 0.000 0.972 677 K CA -0.672 55.630 56.287 0.025 0.000 0.833 677 K CB 2.603 35.113 32.500 0.017 0.000 1.317 677 K HN 0.516 nan 8.250 nan 0.000 0.441 678 Q N 1.898 121.719 119.800 0.035 0.000 2.345 678 Q HA 0.412 4.759 4.340 0.012 0.000 0.275 678 Q C -1.774 174.244 176.000 0.031 0.000 1.063 678 Q CA -0.678 55.147 55.803 0.036 0.000 0.819 678 Q CB 1.690 30.454 28.738 0.043 0.000 1.356 678 Q HN 0.515 nan 8.270 nan 0.000 0.418 679 L N 4.840 126.074 121.223 0.019 0.000 2.287 679 L HA 0.558 4.905 4.340 0.012 0.000 0.287 679 L C -0.573 176.292 176.870 -0.008 0.000 1.022 679 L CA -0.612 54.229 54.840 0.002 0.000 0.814 679 L CB 1.339 43.393 42.059 -0.009 0.000 1.217 679 L HN 0.565 nan 8.230 nan 0.000 0.420 680 I N 2.964 123.521 120.570 -0.022 0.000 2.382 680 I HA 0.220 4.397 4.170 0.012 0.000 0.285 680 I C -0.402 175.649 176.117 -0.109 0.000 1.007 680 I CA -0.661 60.611 61.300 -0.046 0.000 1.142 680 I CB 1.757 39.743 38.000 -0.023 0.000 1.289 680 I HN 0.517 nan 8.210 nan 0.000 0.453 681 E N 6.322 126.455 120.200 -0.111 0.000 2.223 681 E HA 0.360 4.718 4.350 0.012 0.000 0.282 681 E C -0.509 175.956 176.600 -0.225 0.000 1.046 681 E CA -0.190 56.121 56.400 -0.148 0.000 0.857 681 E CB 0.906 30.544 29.700 -0.103 0.000 1.055 681 E HN 0.433 nan 8.360 nan 0.000 0.409 682 L N 5.383 126.410 121.223 -0.328 0.000 2.397 682 L HA 0.273 4.620 4.340 0.012 0.000 0.271 682 L C -1.885 174.765 176.870 -0.367 0.000 1.148 682 L CA -1.980 52.537 54.840 -0.539 0.000 0.825 682 L CB 0.503 42.139 42.059 -0.705 0.000 1.117 682 L HN 0.314 nan 8.230 nan 0.000 0.456 683 P HA -0.070 nan 4.420 nan 0.000 0.266 683 P C -0.416 176.824 177.300 -0.101 0.000 1.195 683 P CA -0.134 62.898 63.100 -0.113 0.000 0.768 683 P CB 0.349 32.081 31.700 0.053 0.000 0.838 684 E N 3.573 123.742 120.200 -0.051 0.000 2.480 684 E HA -0.025 4.332 4.350 0.012 0.000 0.258 684 E C -1.027 175.573 176.600 -0.000 0.000 0.984 684 E CA 0.565 56.943 56.400 -0.037 0.000 0.930 684 E CB 0.079 29.765 29.700 -0.022 0.000 0.936 684 E HN 0.341 nan 8.360 nan 0.000 0.466 685 L N 6.933 128.156 121.223 -0.002 0.000 2.334 685 L HA 0.465 4.812 4.340 0.012 0.000 0.276 685 L C -1.865 175.022 176.870 0.027 0.000 1.014 685 L CA -2.112 52.751 54.840 0.039 0.000 0.815 685 L CB 1.853 43.948 42.059 0.061 0.000 1.268 685 L HN 0.469 nan 8.230 nan 0.000 0.428 686 P HA 0.101 nan 4.420 nan 0.000 0.280 686 P C -1.186 176.130 177.300 0.026 0.000 1.244 686 P CA -0.636 62.480 63.100 0.026 0.000 0.784 686 P CB 1.006 32.723 31.700 0.027 0.000 0.913 687 Q N 4.359 124.169 119.800 0.016 0.000 2.349 687 Q HA 0.145 4.492 4.340 0.012 0.000 0.287 687 Q C -2.144 173.869 176.000 0.021 0.000 1.044 687 Q CA -1.260 54.552 55.803 0.015 0.000 0.918 687 Q CB -0.862 27.881 28.738 0.008 0.000 1.242 687 Q HN 0.411 nan 8.270 nan 0.000 0.405 688 P HA 0.107 nan 4.420 nan 0.000 0.272 688 P C 0.088 177.402 177.300 0.023 0.000 1.240 688 P CA -0.282 62.836 63.100 0.029 0.000 0.791 688 P CB 1.041 32.763 31.700 0.037 0.000 0.978 689 E N 0.110 120.324 120.200 0.023 0.000 2.022 689 E HA -0.022 4.335 4.350 0.012 0.000 0.193 689 E C 0.994 177.607 176.600 0.022 0.000 0.969 689 E CA 0.635 57.047 56.400 0.020 0.000 0.834 689 E CB -0.945 28.766 29.700 0.018 0.000 0.798 689 E HN 0.471 nan 8.360 nan 0.000 0.467 690 S N 0.172 115.888 115.700 0.025 0.000 2.569 690 S HA 0.230 4.707 4.470 0.012 0.000 0.274 690 S C 0.123 174.743 174.600 0.033 0.000 1.353 690 S CA 0.069 58.287 58.200 0.029 0.000 1.023 690 S CB 0.498 63.717 63.200 0.032 0.000 0.876 690 S HN 0.301 nan 8.310 nan 0.000 0.540 691 A N 2.020 124.862 122.820 0.035 0.000 2.296 691 A HA 0.780 5.107 4.320 0.012 0.000 0.264 691 A C 0.868 178.483 177.584 0.051 0.000 1.097 691 A CA 0.240 52.300 52.037 0.037 0.000 0.811 691 A CB -0.372 18.649 19.000 0.035 0.000 1.072 691 A HN 1.989 nan 8.150 nan 0.000 0.495 692 G N -1.184 107.647 108.800 0.051 0.000 2.346 692 G HA2 0.422 4.389 3.960 0.012 0.000 0.294 692 G HA3 0.422 4.389 3.960 0.012 0.000 0.294 692 G C -1.119 173.816 174.900 0.058 0.000 1.294 692 G CA -0.112 45.032 45.100 0.074 0.000 0.962 692 G HN 1.141 nan 8.290 nan 0.000 0.508 693 Q N -0.178 119.677 119.800 0.091 0.000 2.290 693 Q HA 0.723 5.070 4.340 0.012 0.000 0.259 693 Q C -0.244 175.796 176.000 0.065 0.000 0.941 693 Q CA -0.558 55.251 55.803 0.009 0.000 0.912 693 Q CB 1.226 29.936 28.738 -0.047 0.000 1.244 693 Q HN 0.575 nan 8.270 nan 0.000 0.441 694 L N 4.312 125.511 121.223 -0.040 0.000 2.305 694 L HA 0.427 4.774 4.340 0.012 0.000 0.281 694 L C -0.772 176.074 176.870 -0.041 0.000 1.085 694 L CA -0.393 54.474 54.840 0.045 0.000 0.813 694 L CB 0.663 42.738 42.059 0.026 0.000 1.157 694 L HN 0.678 nan 8.230 nan 0.000 0.436 695 W N 4.454 125.815 121.300 0.102 0.000 2.656 695 W HA 0.475 5.142 4.660 0.012 0.000 0.327 695 W C -0.723 175.903 176.519 0.179 0.000 1.041 695 W CA -0.532 56.894 57.345 0.136 0.000 1.229 695 W CB 1.702 31.259 29.460 0.162 0.000 1.397 695 W HN 0.139 nan 8.180 nan 0.000 0.479 696 L N 3.910 125.401 121.223 0.447 0.000 2.287 696 L HA 0.708 5.055 4.340 0.012 0.000 0.287 696 L C -0.364 176.805 176.870 0.498 0.000 1.022 696 L CA 0.132 55.232 54.840 0.434 0.000 0.814 696 L CB 1.081 43.362 42.059 0.369 0.000 1.217 696 L HN 0.294 nan 8.230 nan 0.000 0.420 697 T N 5.336 120.138 114.554 0.413 0.000 2.812 697 T HA 0.640 4.997 4.350 0.012 0.000 0.282 697 T C -0.672 174.237 174.700 0.348 0.000 0.990 697 T CA -0.449 61.851 62.100 0.334 0.000 0.960 697 T CB 1.390 70.395 68.868 0.228 0.000 0.948 697 T HN 0.582 nan 8.240 nan 0.000 0.438 698 V N 2.004 122.093 119.914 0.293 0.000 2.680 698 V HA 0.912 5.039 4.120 0.012 0.000 0.309 698 V C -0.630 175.561 176.094 0.161 0.000 1.052 698 V CA -1.293 61.164 62.300 0.261 0.000 0.908 698 V CB 1.725 33.675 31.823 0.212 0.000 1.001 698 V HN 0.988 nan 8.190 nan 0.000 0.431 699 R N 2.448 123.083 120.500 0.225 0.000 2.673 699 R HA 0.838 5.185 4.340 0.012 0.000 0.281 699 R C -1.882 174.558 176.300 0.233 0.000 0.991 699 R CA -0.845 55.393 56.100 0.230 0.000 0.896 699 R CB 2.132 32.528 30.300 0.160 0.000 1.201 699 R HN 0.502 nan 8.270 nan 0.000 0.457 700 V N 2.876 122.949 119.914 0.265 0.000 2.406 700 V HA 0.321 4.448 4.120 0.012 0.000 0.272 700 V C -0.133 176.069 176.094 0.180 0.000 1.043 700 V CA -0.574 61.849 62.300 0.205 0.000 0.915 700 V CB 1.392 33.332 31.823 0.195 0.000 0.988 700 V HN 0.537 nan 8.190 nan 0.000 0.466 701 V N 5.067 125.064 119.914 0.139 0.000 2.555 701 V HA 0.399 4.526 4.120 0.012 0.000 0.302 701 V C -0.204 175.962 176.094 0.120 0.000 1.038 701 V CA -0.772 61.596 62.300 0.113 0.000 0.887 701 V CB 1.872 33.745 31.823 0.083 0.000 0.991 701 V HN 0.886 nan 8.190 nan 0.000 0.434 702 Q N 5.038 124.918 119.800 0.134 0.000 2.421 702 Q HA 0.249 4.596 4.340 0.012 0.000 0.242 702 Q C -1.833 174.208 176.000 0.069 0.000 1.024 702 Q CA -1.717 54.158 55.803 0.120 0.000 0.891 702 Q CB 1.718 30.547 28.738 0.151 0.000 1.222 702 Q HN 0.489 nan 8.270 nan 0.000 0.483 703 P HA -0.185 nan 4.420 nan 0.000 0.215 703 P C -0.271 177.037 177.300 0.013 0.000 1.157 703 P CA 1.267 64.388 63.100 0.036 0.000 0.868 703 P CB 0.359 32.082 31.700 0.038 0.000 0.788 704 N N -0.448 118.252 118.700 -0.000 0.000 2.487 704 N HA 0.369 5.116 4.740 0.012 0.000 0.292 704 N C -0.120 175.346 175.510 -0.073 0.000 1.108 704 N CA -0.420 52.614 53.050 -0.027 0.000 0.956 704 N CB 1.020 39.493 38.487 -0.022 0.000 1.176 704 N HN -0.058 nan 8.380 nan 0.000 0.484 705 A N 0.726 123.494 122.820 -0.087 0.000 2.366 705 A HA 0.498 4.825 4.320 0.012 0.000 0.249 705 A C 0.754 178.217 177.584 -0.202 0.000 1.084 705 A CA -0.092 51.856 52.037 -0.150 0.000 0.794 705 A CB 0.073 19.011 19.000 -0.104 0.000 1.034 705 A HN 0.753 nan 8.150 nan 0.000 0.491 706 T N -2.885 111.459 114.554 -0.349 0.000 2.773 706 T HA 0.629 4.986 4.350 0.012 0.000 0.278 706 T C 0.964 175.497 174.700 -0.278 0.000 1.011 706 T CA 0.034 61.912 62.100 -0.369 0.000 1.014 706 T CB 1.108 69.538 68.868 -0.731 0.000 1.293 706 T HN 1.303 nan 8.240 nan 0.000 0.554 707 A N -0.187 122.564 122.820 -0.115 0.000 2.121 707 A HA 0.117 4.444 4.320 0.012 0.000 0.218 707 A C 1.652 179.368 177.584 0.222 0.000 1.154 707 A CA 0.978 53.070 52.037 0.090 0.000 0.679 707 A CB -0.886 18.214 19.000 0.166 0.000 0.795 707 A HN 0.908 nan 8.150 nan 0.000 0.458 708 W N -0.863 120.489 121.300 0.087 0.000 2.871 708 W HA 0.380 5.048 4.660 0.013 0.000 0.340 708 W C -0.091 176.387 176.519 -0.069 0.000 1.058 708 W CA 0.552 57.911 57.345 0.023 0.000 1.633 708 W CB -0.942 28.523 29.460 0.009 0.000 1.067 708 W HN 0.381 nan 8.180 nan 0.000 0.554 709 S N 0.253 115.534 115.700 -0.699 0.000 2.618 709 S HA 0.530 5.007 4.470 0.012 0.000 0.277 709 S C -0.932 173.441 174.600 -0.379 0.000 1.138 709 S CA -0.753 57.067 58.200 -0.633 0.000 0.844 709 S CB 2.835 65.289 63.200 -1.243 0.000 1.127 709 S HN 0.102 nan 8.310 nan 0.000 0.474 710 E N 0.351 120.434 120.200 -0.196 0.000 2.250 710 E HA 0.629 4.986 4.350 0.012 0.000 0.265 710 E C 0.045 176.611 176.600 -0.057 0.000 1.033 710 E CA -1.084 55.260 56.400 -0.093 0.000 0.888 710 E CB 1.413 31.100 29.700 -0.022 0.000 1.151 710 E HN 0.873 nan 8.360 nan 0.000 0.412 711 A N 0.530 123.327 122.820 -0.038 0.000 2.520 711 A HA 0.374 4.701 4.320 0.012 0.000 0.235 711 A C 1.173 178.771 177.584 0.024 0.000 1.065 711 A CA 0.846 52.876 52.037 -0.012 0.000 0.764 711 A CB -0.543 18.451 19.000 -0.010 0.000 1.002 711 A HN 0.833 nan 8.150 nan 0.000 0.502 712 G N 0.232 109.057 108.800 0.041 0.000 2.199 712 G HA2 -0.261 3.707 3.960 0.012 0.000 0.254 712 G HA3 -0.261 3.707 3.960 0.012 0.000 0.254 712 G C 0.299 175.244 174.900 0.074 0.000 0.982 712 G CA 0.760 45.888 45.100 0.046 0.000 0.632 712 G HN 1.778 nan 8.290 nan 0.000 0.529 713 H N 0.926 120.004 119.070 0.013 0.000 3.094 713 H HA 0.387 4.950 4.556 0.012 0.000 0.320 713 H C 0.774 176.175 175.328 0.122 0.000 1.000 713 H CA 0.530 56.611 56.048 0.056 0.000 1.413 713 H CB 0.102 29.874 29.762 0.017 0.000 1.405 713 H HN 0.336 nan 8.280 nan 0.000 0.586 714 I N 4.791 125.121 120.570 -0.399 0.000 2.315 714 I HA 0.047 4.225 4.170 0.012 0.000 0.291 714 I C 0.977 176.974 176.117 -0.199 0.000 1.006 714 I CA 0.008 61.212 61.300 -0.161 0.000 1.265 714 I CB 1.514 39.484 38.000 -0.051 0.000 1.387 714 I HN 0.766 nan 8.210 nan 0.000 0.475 715 S N 4.204 119.987 115.700 0.138 0.000 2.502 715 S HA 0.530 5.008 4.470 0.012 0.000 0.215 715 S C 0.505 175.343 174.600 0.398 0.000 1.009 715 S CA 0.028 58.436 58.200 0.346 0.000 0.908 715 S CB 0.555 64.078 63.200 0.539 0.000 0.801 715 S HN 0.716 nan 8.310 nan 0.000 0.505 716 A N 0.394 123.480 122.820 0.443 0.000 2.601 716 A HA 0.691 5.018 4.320 0.012 0.000 0.291 716 A C -1.891 176.000 177.584 0.512 0.000 1.075 716 A CA -0.785 51.476 52.037 0.373 0.000 0.671 716 A CB 0.459 19.752 19.000 0.488 0.000 1.277 716 A HN 1.000 nan 8.150 nan 0.000 0.417 717 W N -0.453 121.004 121.300 0.261 0.000 3.059 717 W HA 0.766 5.434 4.660 0.013 0.000 0.329 717 W C -1.399 175.114 176.519 -0.010 0.000 1.246 717 W CA -0.472 56.899 57.345 0.044 0.000 1.190 717 W CB 1.005 30.480 29.460 0.024 0.000 1.423 717 W HN 1.028 nan 8.180 nan 0.000 0.571 718 Q N 1.190 120.973 119.800 -0.030 0.000 2.479 718 Q HA 0.440 4.787 4.340 0.012 0.000 0.276 718 Q C -1.598 174.202 176.000 -0.334 0.000 0.989 718 Q CA -0.445 55.187 55.803 -0.285 0.000 0.864 718 Q CB 2.492 30.819 28.738 -0.685 0.000 1.444 718 Q HN 0.594 nan 8.270 nan 0.000 0.388 719 Q N 1.531 121.101 119.800 -0.383 0.000 2.413 719 Q HA 0.629 4.977 4.340 0.012 0.000 0.276 719 Q C -1.224 174.630 176.000 -0.243 0.000 1.099 719 Q CA -0.688 55.074 55.803 -0.070 0.000 0.814 719 Q CB 2.198 31.085 28.738 0.248 0.000 1.379 719 Q HN 0.586 nan 8.270 nan 0.000 0.436 720 W N 1.042 122.499 121.300 0.261 0.000 3.107 720 W HA 0.435 5.101 4.660 0.011 0.000 0.331 720 W C -0.456 175.995 176.519 -0.113 0.000 1.204 720 W CA -0.634 56.764 57.345 0.087 0.000 1.184 720 W CB 1.731 31.216 29.460 0.041 0.000 1.421 720 W HN 0.423 nan 8.180 nan 0.000 0.544 721 R N 1.951 122.355 120.500 -0.160 0.000 2.308 721 R HA 0.500 4.847 4.340 0.012 0.000 0.305 721 R C 0.439 176.588 176.300 -0.252 0.000 1.053 721 R CA -0.275 55.452 56.100 -0.621 0.000 0.957 721 R CB 1.311 31.178 30.300 -0.722 0.000 1.022 721 R HN 0.297 nan 8.270 nan 0.000 0.461 722 L N 1.337 122.418 121.223 -0.236 0.000 2.793 722 L HA 0.517 4.864 4.340 0.012 0.000 0.188 722 L C 0.628 177.415 176.870 -0.138 0.000 1.949 722 L CA -0.983 53.785 54.840 -0.121 0.000 2.556 722 L CB -0.054 41.974 42.059 -0.052 0.000 2.898 722 L HN 0.584 nan 8.230 nan 0.000 0.621 723 A N 0.485 123.252 122.820 -0.088 0.000 2.498 723 A HA 0.186 4.513 4.320 0.012 0.000 0.239 723 A C -0.267 177.267 177.584 -0.083 0.000 1.068 723 A CA 0.234 52.227 52.037 -0.074 0.000 0.766 723 A CB 0.041 19.015 19.000 -0.043 0.000 1.003 723 A HN 0.610 nan 8.150 nan 0.000 0.497 724 E N 1.551 121.707 120.200 -0.073 0.000 2.222 724 E HA 0.340 4.697 4.350 0.012 0.000 0.267 724 E C -1.396 175.187 176.600 -0.027 0.000 0.884 724 E CA -0.756 55.608 56.400 -0.060 0.000 0.764 724 E CB 0.922 30.573 29.700 -0.081 0.000 1.169 724 E HN 0.691 nan 8.360 nan 0.000 0.413 725 N N 5.012 123.708 118.700 -0.008 0.000 2.518 725 N HA 0.264 5.011 4.740 0.012 0.000 0.254 725 N C -0.711 174.807 175.510 0.013 0.000 0.979 725 N CA -0.383 52.669 53.050 0.003 0.000 0.930 725 N CB 1.283 39.776 38.487 0.010 0.000 1.152 725 N HN 0.493 nan 8.380 nan 0.000 0.505 726 L N 1.153 122.383 121.223 0.012 0.000 2.410 726 L HA 0.085 4.432 4.340 0.012 0.000 0.273 726 L C 1.306 178.191 176.870 0.025 0.000 1.144 726 L CA 0.006 54.858 54.840 0.021 0.000 0.863 726 L CB 0.463 42.532 42.059 0.018 0.000 1.140 726 L HN 0.400 nan 8.230 nan 0.000 0.463 727 S N 2.569 118.289 115.700 0.033 0.000 2.525 727 S HA 0.149 4.626 4.470 0.012 0.000 0.285 727 S C 0.746 175.364 174.600 0.029 0.000 1.283 727 S CA -0.626 57.594 58.200 0.033 0.000 1.072 727 S CB 0.617 63.842 63.200 0.041 0.000 0.867 727 S HN 0.485 nan 8.310 nan 0.000 0.492 728 V N 2.138 122.067 119.914 0.024 0.000 3.432 728 V HA 0.317 4.444 4.120 0.012 0.000 0.298 728 V C 0.718 176.823 176.094 0.019 0.000 1.464 728 V CA 0.167 62.480 62.300 0.021 0.000 1.046 728 V CB -0.679 31.154 31.823 0.016 0.000 0.887 728 V HN 0.878 nan 8.190 nan 0.000 0.441 729 T N 1.287 115.853 114.554 0.020 0.000 2.779 729 T HA 0.621 4.978 4.350 0.012 0.000 0.296 729 T C -0.295 174.416 174.700 0.019 0.000 0.938 729 T CA -0.278 61.833 62.100 0.018 0.000 1.119 729 T CB 0.906 69.786 68.868 0.019 0.000 0.891 729 T HN 0.160 nan 8.240 nan 0.000 0.526 730 L N 6.019 127.251 121.223 0.014 0.000 2.416 730 L HA 0.353 4.700 4.340 0.012 0.000 0.272 730 L C -1.141 175.736 176.870 0.012 0.000 1.161 730 L CA -1.400 53.447 54.840 0.012 0.000 0.845 730 L CB -0.521 41.542 42.059 0.006 0.000 1.119 730 L HN 0.625 nan 8.230 nan 0.000 0.464 731 P HA 0.171 nan 4.420 nan 0.000 0.269 731 P C -0.792 176.510 177.300 0.002 0.000 1.209 731 P CA -0.584 62.525 63.100 0.015 0.000 0.776 731 P CB 0.725 32.438 31.700 0.022 0.000 0.876 732 A N 2.720 125.542 122.820 0.004 0.000 2.548 732 A HA 0.371 4.698 4.320 0.012 0.000 0.247 732 A C 0.907 178.463 177.584 -0.045 0.000 1.067 732 A CA 0.074 52.102 52.037 -0.014 0.000 0.757 732 A CB -0.639 18.364 19.000 0.006 0.000 0.996 732 A HN 0.742 nan 8.150 nan 0.000 0.504 733 A N 3.841 126.610 122.820 -0.085 0.000 2.548 733 A HA 0.457 4.784 4.320 0.012 0.000 0.247 733 A C 1.090 178.537 177.584 -0.228 0.000 1.067 733 A CA 0.401 52.364 52.037 -0.124 0.000 0.757 733 A CB -0.474 18.450 19.000 -0.127 0.000 0.996 733 A HN 1.893 nan 8.150 nan 0.000 0.504 734 S N 2.075 117.691 115.700 -0.140 0.000 2.593 734 S HA 0.274 4.751 4.470 0.012 0.000 0.269 734 S C 0.503 174.991 174.600 -0.187 0.000 1.334 734 S CA 0.271 58.414 58.200 -0.094 0.000 1.015 734 S CB 0.278 63.487 63.200 0.016 0.000 0.912 734 S HN 0.726 nan 8.310 nan 0.000 0.541 735 H N 0.686 119.761 119.070 0.008 0.000 2.516 735 H HA 0.514 5.077 4.556 0.012 0.000 0.284 735 H C 1.042 176.372 175.328 0.004 0.000 0.999 735 H CA 0.622 56.675 56.048 0.008 0.000 1.303 735 H CB -0.508 29.261 29.762 0.013 0.000 1.452 735 H HN 0.823 nan 8.280 nan 0.000 0.530 736 A N 1.289 124.199 122.820 0.150 0.000 2.271 736 A HA 0.596 4.923 4.320 0.012 0.000 0.288 736 A C -0.313 177.269 177.584 -0.003 0.000 1.094 736 A CA -0.399 51.676 52.037 0.063 0.000 0.828 736 A CB 0.365 19.399 19.000 0.057 0.000 1.091 736 A HN 0.241 nan 8.150 nan 0.000 0.493 737 I N 0.586 121.110 120.570 -0.076 0.000 2.608 737 I HA 0.347 4.524 4.170 0.012 0.000 0.295 737 I C -2.503 173.434 176.117 -0.300 0.000 1.049 737 I CA -2.206 59.016 61.300 -0.130 0.000 1.063 737 I CB 2.459 40.404 38.000 -0.093 0.000 1.248 737 I HN 0.383 nan 8.210 nan 0.000 0.424 738 P HA 0.163 nan 4.420 nan 0.000 0.275 738 P C -1.200 175.943 177.300 -0.261 0.000 1.227 738 P CA -0.074 62.895 63.100 -0.218 0.000 0.781 738 P CB 0.370 32.011 31.700 -0.097 0.000 0.906 739 H N 1.938 121.055 119.070 0.077 0.000 2.489 739 H HA 0.330 4.893 4.556 0.012 0.000 0.322 739 H C -0.267 175.103 175.328 0.070 0.000 1.091 739 H CA -0.600 55.483 56.048 0.058 0.000 1.291 739 H CB 1.209 31.002 29.762 0.052 0.000 1.436 739 H HN 0.286 nan 8.280 nan 0.000 0.480 740 L N 2.535 123.852 121.223 0.157 0.000 2.309 740 L HA 0.371 4.718 4.340 0.012 0.000 0.282 740 L C -0.293 176.655 176.870 0.130 0.000 1.036 740 L CA -0.058 54.855 54.840 0.121 0.000 0.806 740 L CB 1.706 43.792 42.059 0.046 0.000 1.220 740 L HN 0.511 nan 8.230 nan 0.000 0.429 741 T N 3.462 118.107 114.554 0.152 0.000 2.847 741 T HA 0.485 4.842 4.350 0.012 0.000 0.291 741 T C -0.424 174.381 174.700 0.175 0.000 0.998 741 T CA -0.366 61.811 62.100 0.128 0.000 0.967 741 T CB 1.127 70.050 68.868 0.091 0.000 0.954 741 T HN 0.698 nan 8.240 nan 0.000 0.441 742 T N 2.959 117.612 114.554 0.164 0.000 2.902 742 T HA 0.780 5.137 4.350 0.012 0.000 0.283 742 T C -0.002 174.742 174.700 0.074 0.000 1.009 742 T CA -0.702 61.512 62.100 0.190 0.000 1.051 742 T CB 1.288 70.301 68.868 0.243 0.000 0.999 742 T HN 0.729 nan 8.240 nan 0.000 0.474 743 S N 0.470 116.171 115.700 0.002 0.000 2.625 743 S HA 0.406 4.883 4.470 0.012 0.000 0.271 743 S C 0.749 175.290 174.600 -0.099 0.000 1.161 743 S CA -0.882 57.300 58.200 -0.031 0.000 0.820 743 S CB 1.697 64.883 63.200 -0.022 0.000 1.137 743 S HN 0.740 nan 8.310 nan 0.000 0.470 744 E N -0.230 119.924 120.200 -0.077 0.000 2.110 744 E HA -0.109 4.248 4.350 0.012 0.000 0.193 744 E C 1.097 177.612 176.600 -0.142 0.000 0.988 744 E CA 1.222 57.563 56.400 -0.098 0.000 0.804 744 E CB -0.105 29.561 29.700 -0.056 0.000 0.745 744 E HN 0.610 nan 8.360 nan 0.000 0.458 745 M N 0.675 120.208 119.600 -0.112 0.000 2.510 745 M HA 0.155 4.642 4.480 0.012 0.000 0.256 745 M C -0.300 175.923 176.300 -0.128 0.000 1.132 745 M CA 0.621 55.860 55.300 -0.102 0.000 1.105 745 M CB 0.222 32.796 32.600 -0.043 0.000 1.375 745 M HN -0.054 nan 8.290 nan 0.000 0.477 746 D N -1.198 119.100 120.400 -0.169 0.000 2.583 746 D HA 0.374 5.021 4.640 0.012 0.000 0.248 746 D C -1.459 174.741 176.300 -0.167 0.000 1.209 746 D CA -0.350 53.576 54.000 -0.125 0.000 0.848 746 D CB 2.137 42.956 40.800 0.032 0.000 1.431 746 D HN -0.179 nan 8.370 nan 0.000 0.436 747 F N 1.151 121.188 119.950 0.146 0.000 2.430 747 F HA 0.300 4.834 4.527 0.012 0.000 0.362 747 F C -0.137 175.800 175.800 0.228 0.000 1.103 747 F CA -0.957 57.127 58.000 0.139 0.000 1.045 747 F CB 0.969 40.024 39.000 0.091 0.000 1.276 747 F HN 0.147 nan 8.300 nan 0.000 0.444 748 C N 5.193 124.706 119.300 0.355 0.000 2.319 748 C HA 0.712 5.179 4.460 0.012 0.000 0.335 748 C C 0.330 175.497 174.990 0.294 0.000 1.274 748 C CA -0.968 58.232 59.018 0.303 0.000 1.806 748 C CB 0.104 27.946 27.740 0.170 0.000 2.329 748 C HN 0.583 nan 8.230 nan 0.000 0.524 749 I N 2.622 123.418 120.570 0.378 0.000 2.474 749 I HA 0.503 4.680 4.170 0.012 0.000 0.294 749 I C -0.229 176.159 176.117 0.452 0.000 1.005 749 I CA -0.200 61.326 61.300 0.376 0.000 1.113 749 I CB 1.675 39.898 38.000 0.371 0.000 1.289 749 I HN 0.684 nan 8.210 nan 0.000 0.436 750 E N 6.102 126.511 120.200 0.348 0.000 2.272 750 E HA 0.635 4.992 4.350 0.012 0.000 0.269 750 E C -1.948 174.838 176.600 0.310 0.000 0.877 750 E CA -0.787 55.796 56.400 0.305 0.000 0.755 750 E CB 2.570 32.381 29.700 0.186 0.000 1.192 750 E HN 0.462 nan 8.360 nan 0.000 0.422 751 L N 5.213 126.620 121.223 0.306 0.000 2.555 751 L HA 0.563 4.910 4.340 0.012 0.000 0.264 751 L C 0.221 177.185 176.870 0.157 0.000 0.972 751 L CA 0.840 55.818 54.840 0.229 0.000 0.876 751 L CB 1.181 43.432 42.059 0.321 0.000 1.216 751 L HN 0.819 nan 8.230 nan 0.000 0.415 752 G N 4.613 113.487 108.800 0.123 0.000 2.622 752 G HA2 -0.431 3.536 3.960 0.012 0.000 0.307 752 G HA3 -0.431 3.536 3.960 0.012 0.000 0.307 752 G C 0.582 175.501 174.900 0.032 0.000 1.226 752 G CA 0.608 45.752 45.100 0.074 0.000 0.997 752 G HN 1.262 nan 8.290 nan 0.000 0.551 753 N N 1.601 120.306 118.700 0.008 0.000 2.370 753 N HA 0.109 4.856 4.740 0.012 0.000 0.198 753 N C 0.264 175.732 175.510 -0.069 0.000 1.156 753 N CA 0.794 53.829 53.050 -0.026 0.000 0.839 753 N CB 0.172 38.646 38.487 -0.021 0.000 0.989 753 N HN 0.732 nan 8.380 nan 0.000 0.468 754 K N 0.261 120.600 120.400 -0.102 0.000 2.259 754 K HA 0.519 4.846 4.320 0.012 0.000 0.252 754 K C -0.391 175.950 176.600 -0.432 0.000 0.936 754 K CA -0.619 55.471 56.287 -0.328 0.000 0.810 754 K CB 2.384 34.641 32.500 -0.405 0.000 1.143 754 K HN -0.043 nan 8.250 nan 0.000 0.427 755 R N 1.360 121.496 120.500 -0.605 0.000 2.740 755 R HA 0.443 4.790 4.340 0.012 0.000 0.273 755 R C -1.330 174.733 176.300 -0.396 0.000 0.998 755 R CA -0.881 55.044 56.100 -0.291 0.000 0.900 755 R CB 1.810 32.048 30.300 -0.104 0.000 1.223 755 R HN 0.571 nan 8.270 nan 0.000 0.466 756 W N 1.665 123.088 121.300 0.205 0.000 2.915 756 W HA 0.344 5.011 4.660 0.012 0.000 0.337 756 W C -0.578 176.031 176.519 0.150 0.000 1.102 756 W CA -0.505 56.901 57.345 0.102 0.000 1.224 756 W CB 2.304 31.818 29.460 0.090 0.000 1.416 756 W HN 0.415 nan 8.180 nan 0.000 0.503 757 Q N 2.439 122.348 119.800 0.181 0.000 2.310 757 Q HA 0.446 4.793 4.340 0.012 0.000 0.270 757 Q C -1.946 173.997 176.000 -0.095 0.000 1.025 757 Q CA -0.450 55.464 55.803 0.185 0.000 0.772 757 Q CB 1.449 30.370 28.738 0.305 0.000 1.253 757 Q HN 0.333 nan 8.270 nan 0.000 0.450 758 F N 2.773 122.819 119.950 0.160 0.000 2.411 758 F HA 0.329 4.863 4.527 0.012 0.000 0.352 758 F C 0.556 176.399 175.800 0.073 0.000 1.123 758 F CA -0.870 57.192 58.000 0.102 0.000 1.044 758 F CB 1.264 40.327 39.000 0.105 0.000 1.135 758 F HN 0.489 nan 8.300 nan 0.000 0.461 759 N N 3.634 122.443 118.700 0.181 0.000 2.442 759 N HA 0.082 4.830 4.740 0.012 0.000 0.265 759 N C 0.864 176.406 175.510 0.053 0.000 1.138 759 N CA 0.033 53.140 53.050 0.096 0.000 0.956 759 N CB 0.740 39.289 38.487 0.103 0.000 1.067 759 N HN 0.692 nan 8.380 nan 0.000 0.474 760 R N 2.265 122.724 120.500 -0.068 0.000 2.276 760 R HA -0.061 4.286 4.340 0.012 0.000 0.203 760 R C 1.570 177.821 176.300 -0.083 0.000 1.017 760 R CA 0.590 56.605 56.100 -0.140 0.000 1.010 760 R CB 0.223 30.313 30.300 -0.349 0.000 0.900 760 R HN 0.687 nan 8.270 nan 0.000 0.469 761 Q N 0.308 120.084 119.800 -0.040 0.000 2.204 761 Q HA -0.060 4.287 4.340 0.012 0.000 0.198 761 Q C 1.752 177.752 176.000 -0.001 0.000 0.946 761 Q CA 1.480 57.270 55.803 -0.022 0.000 0.859 761 Q CB 0.356 29.093 28.738 -0.000 0.000 0.946 761 Q HN 0.292 nan 8.270 nan 0.000 0.474 762 S N -1.999 113.727 115.700 0.044 0.000 2.483 762 S HA 0.222 4.699 4.470 0.012 0.000 0.221 762 S C 1.337 175.899 174.600 -0.063 0.000 1.030 762 S CA 0.539 58.796 58.200 0.095 0.000 0.925 762 S CB 0.660 64.031 63.200 0.285 0.000 0.795 762 S HN 0.571 nan 8.310 nan 0.000 0.511 763 G N 0.686 109.453 108.800 -0.055 0.000 2.147 763 G HA2 -0.202 3.765 3.960 0.012 0.000 0.244 763 G HA3 -0.202 3.765 3.960 0.012 0.000 0.244 763 G C -0.241 174.603 174.900 -0.092 0.000 1.005 763 G CA 0.331 45.373 45.100 -0.096 0.000 0.713 763 G HN 0.469 nan 8.290 nan 0.000 0.515 764 F N -1.400 118.722 119.950 0.287 0.000 2.579 764 F HA 0.704 5.238 4.527 0.012 0.000 0.324 764 F C 0.307 176.142 175.800 0.059 0.000 1.058 764 F CA -1.800 56.328 58.000 0.212 0.000 0.944 764 F CB 1.399 40.485 39.000 0.145 0.000 1.245 764 F HN 0.018 nan 8.300 nan 0.000 0.477 765 L N 1.993 123.280 121.223 0.106 0.000 2.456 765 L HA 0.230 4.577 4.340 0.012 0.000 0.277 765 L C 0.958 177.725 176.870 -0.172 0.000 1.124 765 L CA 0.458 55.035 54.840 -0.438 0.000 0.880 765 L CB 0.239 42.000 42.059 -0.498 0.000 1.192 765 L HN 0.697 nan 8.230 nan 0.000 0.463 766 S N 2.645 118.245 115.700 -0.166 0.000 2.503 766 S HA 0.268 4.745 4.470 0.012 0.000 0.215 766 S C 0.557 175.039 174.600 -0.197 0.000 1.003 766 S CA -0.066 58.076 58.200 -0.097 0.000 0.910 766 S CB 0.100 63.292 63.200 -0.012 0.000 0.790 766 S HN 0.685 nan 8.310 nan 0.000 0.514 767 Q N -0.300 119.327 119.800 -0.289 0.000 2.594 767 Q HA 0.641 4.989 4.340 0.012 0.000 0.278 767 Q C -1.985 173.681 176.000 -0.557 0.000 0.961 767 Q CA -0.222 55.280 55.803 -0.502 0.000 0.844 767 Q CB 1.581 29.924 28.738 -0.659 0.000 1.475 767 Q HN 0.423 nan 8.270 nan 0.000 0.389 768 M N 1.482 120.632 119.600 -0.749 0.000 2.550 768 M HA 0.619 5.106 4.480 0.012 0.000 0.292 768 M C -1.459 174.447 176.300 -0.658 0.000 1.221 768 M CA -0.457 54.484 55.300 -0.599 0.000 0.873 768 M CB 2.354 34.594 32.600 -0.599 0.000 1.727 768 M HN 0.501 nan 8.290 nan 0.000 0.459 769 W N 3.374 124.421 121.300 -0.422 0.000 2.715 769 W HA 0.549 5.216 4.660 0.012 0.000 0.331 769 W C -1.504 174.822 176.519 -0.322 0.000 1.031 769 W CA -0.543 56.625 57.345 -0.295 0.000 1.237 769 W CB 1.485 30.803 29.460 -0.236 0.000 1.378 769 W HN 0.466 nan 8.180 nan 0.000 0.454 770 I N 3.578 124.126 120.570 -0.036 0.000 2.354 770 I HA 0.401 4.578 4.170 0.012 0.000 0.286 770 I C 0.950 177.053 176.117 -0.023 0.000 1.007 770 I CA 0.444 61.701 61.300 -0.072 0.000 1.167 770 I CB 1.113 39.059 38.000 -0.090 0.000 1.320 770 I HN 0.757 nan 8.210 nan 0.000 0.458 771 G N 5.985 114.770 108.800 -0.025 0.000 2.950 771 G HA2 -0.256 3.711 3.960 0.012 0.000 0.299 771 G HA3 -0.256 3.711 3.960 0.012 0.000 0.299 771 G C 0.268 175.178 174.900 0.017 0.000 1.310 771 G CA 0.382 45.475 45.100 -0.013 0.000 0.994 771 G HN 0.599 nan 8.290 nan 0.000 0.575 772 D N 0.583 121.019 120.400 0.060 0.000 2.672 772 D HA 0.167 4.814 4.640 0.012 0.000 0.287 772 D C 0.210 176.662 176.300 0.253 0.000 1.559 772 D CA -0.017 54.060 54.000 0.127 0.000 0.796 772 D CB 0.757 41.572 40.800 0.024 0.000 1.181 772 D HN 0.551 nan 8.370 nan 0.000 0.458 773 K N 1.789 122.288 120.400 0.165 0.000 2.185 773 K HA 0.255 4.583 4.320 0.012 0.000 0.269 773 K C 0.081 176.632 176.600 -0.082 0.000 0.987 773 K CA -0.463 55.860 56.287 0.061 0.000 0.865 773 K CB 1.532 34.025 32.500 -0.012 0.000 1.090 773 K HN -0.268 nan 8.250 nan 0.000 0.450 774 K N 2.728 123.005 120.400 -0.205 0.000 2.436 774 K HA -0.035 4.292 4.320 0.012 0.000 0.275 774 K C 0.592 176.989 176.600 -0.339 0.000 0.999 774 K CA 0.071 56.045 56.287 -0.522 0.000 0.980 774 K CB 0.708 32.980 32.500 -0.380 0.000 0.919 774 K HN 0.589 nan 8.250 nan 0.000 0.484 775 Q N 1.175 120.739 119.800 -0.393 0.000 2.245 775 Q HA 0.218 4.565 4.340 0.012 0.000 0.236 775 Q C 0.067 175.981 176.000 -0.144 0.000 0.842 775 Q CA 0.345 56.050 55.803 -0.162 0.000 0.945 775 Q CB 0.660 29.352 28.738 -0.076 0.000 1.122 775 Q HN 0.490 nan 8.270 nan 0.000 0.506 776 L N 0.425 121.490 121.223 -0.263 0.000 2.362 776 L HA 0.420 4.767 4.340 0.012 0.000 0.271 776 L C 0.830 177.564 176.870 -0.226 0.000 1.002 776 L CA -0.360 54.346 54.840 -0.222 0.000 0.818 776 L CB 1.875 43.789 42.059 -0.241 0.000 1.298 776 L HN -0.083 nan 8.230 nan 0.000 0.420 777 L N 0.351 121.438 121.223 -0.227 0.000 2.537 777 L HA 0.252 4.599 4.340 0.012 0.000 0.224 777 L C 0.021 176.774 176.870 -0.194 0.000 1.065 777 L CA 0.674 55.388 54.840 -0.209 0.000 0.860 777 L CB 0.878 42.791 42.059 -0.243 0.000 1.086 777 L HN 0.623 nan 8.230 nan 0.000 0.482 778 T N -0.093 114.318 114.554 -0.238 0.000 2.912 778 T HA 0.395 4.752 4.350 0.012 0.000 0.299 778 T C -2.568 172.054 174.700 -0.131 0.000 1.052 778 T CA -1.131 60.874 62.100 -0.158 0.000 0.996 778 T CB 2.444 71.209 68.868 -0.172 0.000 1.070 778 T HN -0.281 nan 8.240 nan 0.000 0.465 779 P HA 0.161 nan 4.420 nan 0.000 0.269 779 P C -0.687 176.571 177.300 -0.071 0.000 1.217 779 P CA -0.712 62.350 63.100 -0.063 0.000 0.783 779 P CB 0.426 32.122 31.700 -0.007 0.000 0.898 780 L N 3.379 124.592 121.223 -0.016 0.000 2.342 780 L HA 0.237 4.584 4.340 0.012 0.000 0.285 780 L C 0.113 176.937 176.870 -0.078 0.000 1.095 780 L CA 0.616 55.482 54.840 0.043 0.000 0.843 780 L CB -0.773 41.412 42.059 0.210 0.000 1.201 780 L HN 0.283 nan 8.230 nan 0.000 0.445 781 R N 2.618 122.972 120.500 -0.242 0.000 2.892 781 R HA 0.510 4.857 4.340 0.012 0.000 0.265 781 R C -0.884 175.275 176.300 -0.236 0.000 1.025 781 R CA -1.037 54.736 56.100 -0.545 0.000 0.982 781 R CB 1.070 30.902 30.300 -0.780 0.000 1.185 781 R HN 0.501 nan 8.270 nan 0.000 0.484 782 D N 0.961 121.276 120.400 -0.142 0.000 2.362 782 D HA 0.081 4.728 4.640 0.012 0.000 0.242 782 D C -0.553 175.374 176.300 -0.623 0.000 1.132 782 D CA 0.288 54.061 54.000 -0.379 0.000 0.907 782 D CB 0.743 41.229 40.800 -0.523 0.000 1.195 782 D HN 0.183 nan 8.370 nan 0.000 0.429 783 Q N 1.187 120.438 119.800 -0.916 0.000 2.285 783 Q HA 0.338 4.686 4.340 0.012 0.000 0.269 783 Q C -1.269 174.047 176.000 -1.140 0.000 1.030 783 Q CA -0.589 54.745 55.803 -0.782 0.000 0.788 783 Q CB 0.835 29.305 28.738 -0.446 0.000 1.266 783 Q HN 0.495 nan 8.270 nan 0.000 0.438 784 F N 0.794 120.371 119.950 -0.622 0.000 2.724 784 F HA 0.207 4.741 4.527 0.012 0.000 0.310 784 F C 0.420 175.781 175.800 -0.732 0.000 1.107 784 F CA -0.071 57.445 58.000 -0.806 0.000 1.218 784 F CB 1.418 39.636 39.000 -1.302 0.000 1.042 784 F HN 0.435 nan 8.300 nan 0.000 0.540 785 T N -1.082 113.168 114.554 -0.507 0.000 2.838 785 T HA 0.828 5.185 4.350 0.012 0.000 0.292 785 T C -0.651 173.802 174.700 -0.413 0.000 1.113 785 T CA -1.016 60.713 62.100 -0.619 0.000 1.008 785 T CB 2.998 71.415 68.868 -0.751 0.000 1.259 785 T HN 0.243 nan 8.240 nan 0.000 0.520 786 R N -0.285 120.023 120.500 -0.319 0.000 2.707 786 R HA 0.770 5.117 4.340 0.012 0.000 0.272 786 R C -0.932 175.422 176.300 0.090 0.000 1.011 786 R CA -1.216 54.823 56.100 -0.101 0.000 0.893 786 R CB 1.423 31.666 30.300 -0.095 0.000 1.233 786 R HN 0.877 nan 8.270 nan 0.000 0.464 787 A N 3.515 126.378 122.820 0.070 0.000 2.515 787 A HA 0.271 4.598 4.320 0.012 0.000 0.263 787 A C -1.907 175.757 177.584 0.132 0.000 1.096 787 A CA -1.237 50.847 52.037 0.079 0.000 0.769 787 A CB -0.436 18.559 19.000 -0.009 0.000 1.040 787 A HN 0.590 nan 8.150 nan 0.000 0.505 788 P HA 0.053 nan 4.420 nan 0.000 0.262 788 P C -0.275 177.157 177.300 0.219 0.000 1.182 788 P CA 0.506 63.776 63.100 0.284 0.000 0.761 788 P CB 0.380 32.273 31.700 0.321 0.000 0.795 789 L N 2.745 124.064 121.223 0.161 0.000 2.475 789 L HA 0.140 4.487 4.340 0.012 0.000 0.253 789 L C 1.779 178.702 176.870 0.089 0.000 1.198 789 L CA -0.457 54.424 54.840 0.068 0.000 0.814 789 L CB -0.234 41.794 42.059 -0.052 0.000 1.134 789 L HN 0.223 nan 8.230 nan 0.000 0.478 790 D N -0.070 120.345 120.400 0.025 0.000 2.149 790 D HA -0.165 4.482 4.640 0.012 0.000 0.198 790 D C 1.679 177.985 176.300 0.011 0.000 0.990 790 D CA 1.327 55.317 54.000 -0.016 0.000 0.839 790 D CB -0.115 40.669 40.800 -0.027 0.000 0.948 790 D HN 0.435 nan 8.370 nan 0.000 0.460 791 N N 0.599 119.304 118.700 0.009 0.000 2.331 791 N HA -0.092 4.655 4.740 0.012 0.000 0.180 791 N C 0.958 176.500 175.510 0.053 0.000 1.019 791 N CA 0.710 53.770 53.050 0.017 0.000 0.881 791 N CB -0.055 38.428 38.487 -0.006 0.000 0.972 791 N HN 0.261 nan 8.380 nan 0.000 0.435 792 D N 0.600 121.049 120.400 0.081 0.000 2.194 792 D HA 0.040 4.687 4.640 0.012 0.000 0.204 792 D C 2.032 178.387 176.300 0.091 0.000 0.964 792 D CA 0.385 54.462 54.000 0.129 0.000 0.846 792 D CB 0.159 41.120 40.800 0.268 0.000 0.962 792 D HN 0.308 nan 8.370 nan 0.000 0.490 793 I N 0.568 121.178 120.570 0.067 0.000 2.333 793 I HA -0.021 4.156 4.170 0.012 0.000 0.246 793 I C 1.153 177.252 176.117 -0.031 0.000 1.106 793 I CA 0.601 61.911 61.300 0.016 0.000 1.411 793 I CB -0.399 37.591 38.000 -0.016 0.000 1.082 793 I HN -0.001 nan 8.210 nan 0.000 0.420 794 G N 2.641 111.424 108.800 -0.028 0.000 2.363 794 G HA2 -0.159 3.808 3.960 0.012 0.000 0.286 794 G HA3 -0.159 3.808 3.960 0.012 0.000 0.286 794 G C -0.052 174.799 174.900 -0.081 0.000 0.975 794 G CA 0.455 45.532 45.100 -0.038 0.000 1.309 794 G HN 0.483 nan 8.290 nan 0.000 0.491 795 V N -1.101 118.722 119.914 -0.152 0.000 2.398 795 V HA 0.763 4.890 4.120 0.012 0.000 0.282 795 V C 0.853 176.609 176.094 -0.563 0.000 1.014 795 V CA 0.224 62.364 62.300 -0.266 0.000 0.838 795 V CB 0.884 32.577 31.823 -0.217 0.000 1.018 795 V HN 1.090 nan 8.190 nan 0.000 0.432 796 S N 2.239 117.454 115.700 -0.808 0.000 2.562 796 S HA 0.236 4.713 4.470 0.012 0.000 0.221 796 S C 0.380 174.343 174.600 -1.060 0.000 0.975 796 S CA 0.188 57.322 58.200 -1.777 0.000 0.918 796 S CB -0.326 61.992 63.200 -1.471 0.000 0.772 796 S HN 0.877 nan 8.310 nan 0.000 0.531 797 E N 0.240 120.083 120.200 -0.596 0.000 2.294 797 E HA 0.495 4.852 4.350 0.012 0.000 0.272 797 E C -0.281 176.161 176.600 -0.263 0.000 0.896 797 E CA -0.335 55.838 56.400 -0.379 0.000 0.802 797 E CB 1.731 31.227 29.700 -0.340 0.000 1.267 797 E HN 0.196 nan 8.360 nan 0.000 0.406 798 A N 2.173 124.876 122.820 -0.194 0.000 2.272 798 A HA -0.111 4.216 4.320 0.012 0.000 0.213 798 A C 1.537 179.057 177.584 -0.107 0.000 1.183 798 A CA 1.297 53.257 52.037 -0.127 0.000 0.719 798 A CB -0.434 18.526 19.000 -0.066 0.000 0.771 798 A HN 0.484 nan 8.150 nan 0.000 0.484 799 T N -0.573 113.903 114.554 -0.130 0.000 3.037 799 T HA 0.112 4.469 4.350 0.012 0.000 0.251 799 T C 0.754 175.390 174.700 -0.107 0.000 1.079 799 T CA 0.123 62.159 62.100 -0.107 0.000 1.067 799 T CB 0.080 68.880 68.868 -0.113 0.000 0.948 799 T HN 0.487 nan 8.240 nan 0.000 0.496 800 R N 1.249 121.669 120.500 -0.132 0.000 2.255 800 R HA 0.483 4.830 4.340 0.012 0.000 0.326 800 R C -1.200 175.036 176.300 -0.106 0.000 0.986 800 R CA -0.543 55.483 56.100 -0.122 0.000 0.847 800 R CB 0.883 31.094 30.300 -0.149 0.000 1.111 800 R HN 0.090 nan 8.270 nan 0.000 0.452 801 I N 2.357 122.877 120.570 -0.084 0.000 2.395 801 I HA 0.042 4.219 4.170 0.012 0.000 0.282 801 I C -0.047 176.024 176.117 -0.076 0.000 1.107 801 I CA -0.329 60.928 61.300 -0.072 0.000 1.210 801 I CB 0.535 38.502 38.000 -0.054 0.000 1.456 801 I HN 0.387 nan 8.210 nan 0.000 0.504 802 D N 7.229 127.577 120.400 -0.087 0.000 2.363 802 D HA 0.089 4.736 4.640 0.012 0.000 0.263 802 D C -1.567 174.670 176.300 -0.104 0.000 1.258 802 D CA -1.569 52.375 54.000 -0.094 0.000 0.907 802 D CB 1.513 42.254 40.800 -0.098 0.000 1.107 802 D HN 0.184 nan 8.370 nan 0.000 0.495 803 P HA -0.046 nan 4.420 nan 0.000 0.226 803 P C 0.961 178.163 177.300 -0.162 0.000 1.153 803 P CA 0.471 63.505 63.100 -0.110 0.000 0.777 803 P CB 0.254 31.900 31.700 -0.090 0.000 0.794 804 N N -0.334 118.258 118.700 -0.180 0.000 2.353 804 N HA 0.037 4.784 4.740 0.012 0.000 0.185 804 N C 0.235 175.539 175.510 -0.343 0.000 1.098 804 N CA -0.115 52.781 53.050 -0.256 0.000 0.872 804 N CB 0.096 38.458 38.487 -0.209 0.000 0.970 804 N HN -0.058 nan 8.380 nan 0.000 0.467 805 A N 0.186 122.851 122.820 -0.258 0.000 2.445 805 A HA 0.055 4.382 4.320 0.012 0.000 0.242 805 A C 0.714 178.087 177.584 -0.352 0.000 1.075 805 A CA -0.405 51.484 52.037 -0.245 0.000 0.777 805 A CB -0.112 18.809 19.000 -0.132 0.000 1.013 805 A HN 0.436 nan 8.150 nan 0.000 0.493 806 W N 1.657 122.714 121.300 -0.405 0.000 2.318 806 W HA -0.205 4.462 4.660 0.011 0.000 0.313 806 W C 2.247 178.224 176.519 -0.904 0.000 1.221 806 W CA 1.905 58.761 57.345 -0.815 0.000 1.266 806 W CB -0.368 28.507 29.460 -0.974 0.000 1.150 806 W HN 0.563 nan 8.180 nan 0.000 0.496 807 V N 0.842 120.663 119.914 -0.154 0.000 2.392 807 V HA -0.269 3.858 4.120 0.012 0.000 0.249 807 V C 2.140 178.317 176.094 0.139 0.000 1.059 807 V CA 2.169 64.585 62.300 0.192 0.000 1.051 807 V CB -0.366 31.581 31.823 0.207 0.000 0.658 807 V HN 0.091 nan 8.190 nan 0.000 0.455 808 E N -0.128 120.058 120.200 -0.023 0.000 2.150 808 E HA -0.157 4.200 4.350 0.012 0.000 0.193 808 E C 2.352 178.916 176.600 -0.060 0.000 0.985 808 E CA 1.004 57.384 56.400 -0.033 0.000 0.814 808 E CB -0.275 29.378 29.700 -0.080 0.000 0.752 808 E HN 0.616 nan 8.360 nan 0.000 0.466 809 R N -0.394 119.998 120.500 -0.180 0.000 2.090 809 R HA -0.070 4.277 4.340 0.012 0.000 0.228 809 R C 2.227 178.469 176.300 -0.097 0.000 1.110 809 R CA 0.861 56.832 56.100 -0.216 0.000 0.973 809 R CB -0.067 29.981 30.300 -0.421 0.000 0.869 809 R HN 0.235 nan 8.270 nan 0.000 0.440 810 W N 1.564 122.840 121.300 -0.041 0.000 2.379 810 W HA -0.048 4.620 4.660 0.012 0.000 0.307 810 W C 1.932 178.427 176.519 -0.041 0.000 1.200 810 W CA 0.688 57.928 57.345 -0.175 0.000 1.297 810 W CB -0.678 28.831 29.460 0.083 0.000 1.140 810 W HN 0.059 nan 8.180 nan 0.000 0.507 811 K N 0.268 120.907 120.400 0.399 0.000 2.032 811 K HA -0.126 4.201 4.320 0.012 0.000 0.209 811 K C 2.231 178.887 176.600 0.093 0.000 1.048 811 K CA 1.970 58.426 56.287 0.282 0.000 0.927 811 K CB -0.648 31.954 32.500 0.171 0.000 0.712 811 K HN -0.013 nan 8.250 nan 0.000 0.441 812 A N 0.976 123.820 122.820 0.041 0.000 2.067 812 A HA -0.046 4.282 4.320 0.012 0.000 0.219 812 A C 2.166 179.741 177.584 -0.015 0.000 1.158 812 A CA 1.678 53.720 52.037 0.008 0.000 0.661 812 A CB -0.446 18.547 19.000 -0.012 0.000 0.801 812 A HN 0.346 nan 8.150 nan 0.000 0.452 813 A N -2.080 120.705 122.820 -0.058 0.000 2.178 813 A HA 0.420 4.747 4.320 0.012 0.000 0.211 813 A C 1.787 179.310 177.584 -0.102 0.000 1.157 813 A CA 1.222 53.230 52.037 -0.049 0.000 0.780 813 A CB -0.596 18.333 19.000 -0.119 0.000 0.828 813 A HN 1.810 nan 8.150 nan 0.000 0.476 814 G N -1.514 107.140 108.800 -0.244 0.000 2.141 814 G HA2 -0.279 3.688 3.960 0.012 0.000 0.231 814 G HA3 -0.279 3.688 3.960 0.012 0.000 0.231 814 G C 0.563 175.462 174.900 -0.002 0.000 0.984 814 G CA 0.605 45.378 45.100 -0.544 0.000 0.660 814 G HN 0.721 nan 8.290 nan 0.000 0.525 815 H N -1.404 117.655 119.070 -0.018 0.000 2.387 815 H HA -0.098 4.465 4.556 0.012 0.000 0.299 815 H C 2.156 177.454 175.328 -0.050 0.000 1.099 815 H CA 1.587 57.636 56.048 0.001 0.000 1.315 815 H CB 0.067 29.779 29.762 -0.083 0.000 1.380 815 H HN 0.574 nan 8.280 nan 0.000 0.513 816 Y N 0.625 121.044 120.300 0.198 0.000 2.561 816 Y HA -0.066 4.491 4.550 0.012 0.000 0.291 816 Y C 1.908 177.887 175.900 0.132 0.000 1.141 816 Y CA 0.701 58.880 58.100 0.131 0.000 1.303 816 Y CB 0.302 38.823 38.460 0.101 0.000 1.015 816 Y HN 0.255 nan 8.280 nan 0.000 0.547 817 Q N -0.656 119.299 119.800 0.258 0.000 2.214 817 Q HA 0.337 4.684 4.340 0.012 0.000 0.229 817 Q C 0.727 176.906 176.000 0.298 0.000 0.835 817 Q CA -0.010 55.943 55.803 0.251 0.000 0.953 817 Q CB 0.590 29.471 28.738 0.239 0.000 1.131 817 Q HN 0.234 nan 8.270 nan 0.000 0.501 818 A N 2.135 125.143 122.820 0.314 0.000 2.584 818 A HA -0.053 4.274 4.320 0.012 0.000 0.239 818 A C -0.142 177.707 177.584 0.441 0.000 1.043 818 A CA 0.634 52.905 52.037 0.391 0.000 0.756 818 A CB 0.091 19.347 19.000 0.427 0.000 0.963 818 A HN 0.176 nan 8.150 nan 0.000 0.511 819 E N 1.112 121.496 120.200 0.307 0.000 2.166 819 E HA 0.482 4.839 4.350 0.012 0.000 0.275 819 E C -0.104 176.478 176.600 -0.030 0.000 0.941 819 E CA -0.586 55.930 56.400 0.195 0.000 0.784 819 E CB 1.807 31.588 29.700 0.135 0.000 1.115 819 E HN 0.805 nan 8.360 nan 0.000 0.399 820 A N 2.354 125.050 122.820 -0.207 0.000 2.454 820 A HA 0.467 4.794 4.320 0.012 0.000 0.260 820 A C -0.152 177.288 177.584 -0.241 0.000 1.106 820 A CA -0.144 51.493 52.037 -0.667 0.000 0.780 820 A CB 0.246 18.944 19.000 -0.503 0.000 1.044 820 A HN 0.580 nan 8.150 nan 0.000 0.498 821 A N 2.955 125.620 122.820 -0.260 0.000 2.271 821 A HA 0.569 4.896 4.320 0.012 0.000 0.317 821 A C -0.344 177.129 177.584 -0.184 0.000 1.245 821 A CA -0.578 51.378 52.037 -0.135 0.000 0.857 821 A CB 0.428 19.371 19.000 -0.094 0.000 1.175 821 A HN 1.278 nan 8.150 nan 0.000 0.512 822 L N 3.557 124.655 121.223 -0.208 0.000 2.418 822 L HA 0.290 4.637 4.340 0.012 0.000 0.274 822 L C 0.414 177.126 176.870 -0.264 0.000 1.135 822 L CA 0.366 54.965 54.840 -0.400 0.000 0.870 822 L CB 0.116 41.976 42.059 -0.331 0.000 1.154 822 L HN 0.761 nan 8.230 nan 0.000 0.462 823 L N 3.677 124.735 121.223 -0.275 0.000 2.470 823 L HA 0.311 4.658 4.340 0.012 0.000 0.219 823 L C 0.566 177.365 176.870 -0.119 0.000 1.071 823 L CA 0.081 54.836 54.840 -0.141 0.000 0.850 823 L CB -0.053 41.957 42.059 -0.082 0.000 1.040 823 L HN 0.751 nan 8.230 nan 0.000 0.475 824 Q N -0.434 119.269 119.800 -0.162 0.000 2.479 824 Q HA 0.336 4.683 4.340 0.012 0.000 0.276 824 Q C -2.085 173.861 176.000 -0.091 0.000 0.989 824 Q CA -0.586 55.163 55.803 -0.091 0.000 0.864 824 Q CB 2.954 31.666 28.738 -0.042 0.000 1.444 824 Q HN 0.026 nan 8.270 nan 0.000 0.388 825 C N 3.064 122.355 119.300 -0.014 0.000 3.044 825 C HA 0.654 5.121 4.460 0.012 0.000 0.382 825 C C -0.887 174.211 174.990 0.180 0.000 1.071 825 C CA 0.488 59.543 59.018 0.062 0.000 1.296 825 C CB 0.337 28.108 27.740 0.051 0.000 1.730 825 C HN 0.832 nan 8.230 nan 0.000 0.513 826 T N 2.186 116.784 114.554 0.074 0.000 2.930 826 T HA 0.932 5.289 4.350 0.012 0.000 0.290 826 T C -0.357 174.120 174.700 -0.372 0.000 1.052 826 T CA -0.283 61.803 62.100 -0.022 0.000 1.017 826 T CB 2.002 70.843 68.868 -0.044 0.000 1.137 826 T HN 1.675 nan 8.240 nan 0.000 0.511 827 A N 1.016 123.465 122.820 -0.618 0.000 2.414 827 A HA 0.756 5.083 4.320 0.012 0.000 0.306 827 A C -1.419 175.927 177.584 -0.396 0.000 1.054 827 A CA -0.754 50.814 52.037 -0.782 0.000 0.724 827 A CB 1.344 19.421 19.000 -1.538 0.000 1.267 827 A HN 0.847 nan 8.150 nan 0.000 0.418 828 D N 1.086 121.309 120.400 -0.296 0.000 2.934 828 D HA 0.422 5.069 4.640 0.012 0.000 0.230 828 D C -1.112 175.099 176.300 -0.148 0.000 1.204 828 D CA 0.015 53.909 54.000 -0.177 0.000 0.873 828 D CB 2.272 42.993 40.800 -0.130 0.000 1.645 828 D HN 0.374 nan 8.370 nan 0.000 0.502 829 T N 2.454 116.947 114.554 -0.103 0.000 2.753 829 T HA 0.411 4.768 4.350 0.012 0.000 0.297 829 T C 0.721 175.384 174.700 -0.061 0.000 0.981 829 T CA -0.427 61.627 62.100 -0.077 0.000 0.956 829 T CB 0.569 69.408 68.868 -0.047 0.000 0.936 829 T HN 0.083 nan 8.240 nan 0.000 0.463 830 L N 1.680 122.865 121.223 -0.064 0.000 2.448 830 L HA 0.518 4.865 4.340 0.012 0.000 0.258 830 L C 2.053 178.899 176.870 -0.040 0.000 1.104 830 L CA -1.050 53.760 54.840 -0.050 0.000 0.800 830 L CB 0.228 42.255 42.059 -0.054 0.000 1.241 830 L HN 0.661 nan 8.230 nan 0.000 0.472 831 A N 0.645 123.445 122.820 -0.032 0.000 1.948 831 A HA -0.198 4.129 4.320 0.012 0.000 0.220 831 A C 1.217 178.784 177.584 -0.030 0.000 1.177 831 A CA 2.228 54.250 52.037 -0.026 0.000 0.636 831 A CB -0.509 18.478 19.000 -0.022 0.000 0.815 831 A HN 0.929 nan 8.150 nan 0.000 0.449 832 D N -2.998 117.380 120.400 -0.038 0.000 2.582 832 D HA 0.539 5.186 4.640 0.012 0.000 0.246 832 D C 0.055 176.321 176.300 -0.056 0.000 1.334 832 D CA 0.739 54.714 54.000 -0.042 0.000 0.805 832 D CB -0.067 40.711 40.800 -0.037 0.000 1.087 832 D HN 0.536 nan 8.370 nan 0.000 0.499 833 A N -0.472 122.308 122.820 -0.066 0.000 2.511 833 A HA 0.581 4.909 4.320 0.012 0.000 0.293 833 A C -1.899 175.627 177.584 -0.098 0.000 1.098 833 A CA -0.650 51.335 52.037 -0.088 0.000 0.643 833 A CB 1.321 20.269 19.000 -0.087 0.000 1.302 833 A HN 0.016 nan 8.150 nan 0.000 0.446 834 V N 0.537 120.375 119.914 -0.126 0.000 2.540 834 V HA 0.616 4.743 4.120 0.012 0.000 0.302 834 V C -0.996 174.997 176.094 -0.169 0.000 1.035 834 V CA -0.414 61.801 62.300 -0.143 0.000 0.873 834 V CB 1.341 33.080 31.823 -0.140 0.000 0.992 834 V HN 0.853 nan 8.190 nan 0.000 0.428 835 L N 6.466 127.584 121.223 -0.175 0.000 2.298 835 L HA 0.618 4.965 4.340 0.012 0.000 0.284 835 L C -0.692 176.034 176.870 -0.240 0.000 1.013 835 L CA 0.015 54.755 54.840 -0.167 0.000 0.824 835 L CB 1.069 43.059 42.059 -0.115 0.000 1.221 835 L HN 0.415 nan 8.230 nan 0.000 0.418 836 I N 4.456 124.868 120.570 -0.263 0.000 2.321 836 I HA 0.377 4.554 4.170 0.012 0.000 0.291 836 I C 0.004 176.057 176.117 -0.106 0.000 0.998 836 I CA -0.169 60.911 61.300 -0.366 0.000 1.227 836 I CB 1.315 38.810 38.000 -0.842 0.000 1.368 836 I HN 0.562 nan 8.210 nan 0.000 0.466 837 T N 5.121 119.621 114.554 -0.090 0.000 2.807 837 T HA 0.652 5.009 4.350 0.012 0.000 0.279 837 T C 0.241 174.973 174.700 0.053 0.000 0.993 837 T CA -0.550 61.559 62.100 0.016 0.000 0.970 837 T CB 1.815 70.675 68.868 -0.013 0.000 0.950 837 T HN 0.761 nan 8.240 nan 0.000 0.441 838 T N -0.648 113.987 114.554 0.135 0.000 2.883 838 T HA 0.882 5.239 4.350 0.012 0.000 0.296 838 T C -1.237 173.538 174.700 0.126 0.000 1.117 838 T CA -1.100 61.072 62.100 0.121 0.000 1.006 838 T CB 2.039 71.053 68.868 0.244 0.000 1.191 838 T HN 0.821 nan 8.240 nan 0.000 0.508 839 A N 1.271 124.099 122.820 0.013 0.000 2.488 839 A HA 0.747 5.074 4.320 0.012 0.000 0.295 839 A C -1.512 175.998 177.584 -0.124 0.000 1.045 839 A CA -0.763 51.310 52.037 0.059 0.000 0.703 839 A CB 0.893 19.911 19.000 0.031 0.000 1.271 839 A HN 1.001 nan 8.150 nan 0.000 0.400 840 H N 0.051 119.170 119.070 0.080 0.000 2.865 840 H HA 0.813 5.376 4.556 0.012 0.000 0.372 840 H C -0.136 175.191 175.328 -0.002 0.000 1.173 840 H CA 0.270 56.262 56.048 -0.093 0.000 1.147 840 H CB 2.198 31.768 29.762 -0.319 0.000 1.805 840 H HN 1.032 nan 8.280 nan 0.000 0.553 841 A N 1.780 124.576 122.820 -0.040 0.000 2.353 841 A HA 0.339 4.666 4.320 0.012 0.000 0.299 841 A C -1.421 176.141 177.584 -0.037 0.000 1.089 841 A CA -0.697 51.391 52.037 0.085 0.000 0.736 841 A CB 0.960 19.990 19.000 0.049 0.000 1.195 841 A HN 0.554 nan 8.150 nan 0.000 0.447 842 W N 2.532 123.926 121.300 0.157 0.000 2.331 842 W HA 0.396 5.063 4.660 0.012 0.000 0.306 842 W C -0.187 176.334 176.519 0.003 0.000 1.162 842 W CA -0.002 57.423 57.345 0.133 0.000 1.232 842 W CB 1.327 30.912 29.460 0.208 0.000 1.235 842 W HN 0.730 nan 8.180 nan 0.000 0.479 843 Q N 1.426 121.327 119.800 0.168 0.000 2.433 843 Q HA 0.381 4.728 4.340 0.012 0.000 0.279 843 Q C -1.328 174.782 176.000 0.183 0.000 1.105 843 Q CA -1.047 54.824 55.803 0.114 0.000 0.815 843 Q CB 3.305 32.078 28.738 0.058 0.000 1.403 843 Q HN 0.391 nan 8.270 nan 0.000 0.435 844 H N 0.688 119.784 119.070 0.044 0.000 3.181 844 H HA 0.136 4.699 4.556 0.012 0.000 0.331 844 H C -1.259 174.096 175.328 0.044 0.000 0.988 844 H CA -0.146 55.939 56.048 0.062 0.000 1.449 844 H CB 0.712 30.522 29.762 0.080 0.000 1.749 844 H HN 0.665 nan 8.280 nan 0.000 0.501 845 Q N 3.912 123.494 119.800 -0.363 0.000 2.439 845 Q HA -0.247 4.101 4.340 0.012 0.000 0.325 845 Q C 0.988 176.932 176.000 -0.093 0.000 1.372 845 Q CA 1.086 56.735 55.803 -0.256 0.000 0.909 845 Q CB -1.594 26.934 28.738 -0.350 0.000 1.167 845 Q HN 1.289 nan 8.270 nan 0.000 0.418 846 G N -0.536 108.235 108.800 -0.049 0.000 2.205 846 G HA2 -0.368 3.599 3.960 0.012 0.000 0.261 846 G HA3 -0.368 3.599 3.960 0.012 0.000 0.261 846 G C 0.055 174.957 174.900 0.003 0.000 0.980 846 G CA 0.579 45.669 45.100 -0.016 0.000 0.632 846 G HN 0.354 nan 8.290 nan 0.000 0.533 847 K N 1.645 122.056 120.400 0.018 0.000 2.240 847 K HA 0.634 4.961 4.320 0.012 0.000 0.271 847 K C 0.006 176.617 176.600 0.018 0.000 1.018 847 K CA -0.220 56.083 56.287 0.027 0.000 0.874 847 K CB 0.859 33.390 32.500 0.051 0.000 1.098 847 K HN -0.004 nan 8.250 nan 0.000 0.458 848 T N 6.413 120.968 114.554 0.002 0.000 2.723 848 T HA 0.216 4.573 4.350 0.012 0.000 0.297 848 T C 1.119 175.766 174.700 -0.089 0.000 0.925 848 T CA -0.322 61.774 62.100 -0.008 0.000 1.030 848 T CB 0.253 69.134 68.868 0.022 0.000 0.905 848 T HN 0.526 nan 8.240 nan 0.000 0.502 849 L N 2.384 123.461 121.223 -0.243 0.000 2.145 849 L HA 0.323 4.670 4.340 0.012 0.000 0.201 849 L C -0.123 176.293 176.870 -0.758 0.000 1.075 849 L CA 0.809 55.251 54.840 -0.663 0.000 0.773 849 L CB 0.023 41.352 42.059 -1.218 0.000 0.936 849 L HN 0.470 nan 8.230 nan 0.000 0.451 850 F N -1.035 118.866 119.950 -0.083 0.000 2.613 850 F HA 0.609 5.143 4.527 0.012 0.000 0.314 850 F C -0.440 175.459 175.800 0.165 0.000 1.075 850 F CA -1.177 56.714 58.000 -0.181 0.000 0.945 850 F CB 1.520 39.964 39.000 -0.927 0.000 1.310 850 F HN -0.317 nan 8.300 nan 0.000 0.467 851 I N 1.337 122.140 120.570 0.389 0.000 2.478 851 I HA 0.365 4.542 4.170 0.012 0.000 0.287 851 I C -0.881 175.522 176.117 0.477 0.000 1.042 851 I CA -0.517 61.042 61.300 0.431 0.000 1.067 851 I CB 2.203 40.361 38.000 0.262 0.000 1.233 851 I HN 0.573 nan 8.210 nan 0.000 0.431 852 S N 6.924 123.019 115.700 0.657 0.000 2.449 852 S HA 0.601 5.078 4.470 0.012 0.000 0.310 852 S C -0.698 174.165 174.600 0.439 0.000 1.096 852 S CA -0.646 57.906 58.200 0.587 0.000 1.095 852 S CB 0.830 64.516 63.200 0.811 0.000 1.007 852 S HN 0.565 nan 8.310 nan 0.000 0.474 853 R N 3.474 124.154 120.500 0.301 0.000 2.480 853 R HA 0.551 4.898 4.340 0.012 0.000 0.306 853 R C -0.739 175.659 176.300 0.162 0.000 0.958 853 R CA -0.762 55.469 56.100 0.219 0.000 0.861 853 R CB 1.901 32.299 30.300 0.162 0.000 1.171 853 R HN 0.594 nan 8.270 nan 0.000 0.445 854 K N 0.619 121.115 120.400 0.159 0.000 2.409 854 K HA 0.561 4.888 4.320 0.012 0.000 0.252 854 K C -0.821 175.809 176.600 0.051 0.000 1.036 854 K CA -0.972 55.345 56.287 0.050 0.000 0.871 854 K CB 2.473 34.989 32.500 0.027 0.000 1.374 854 K HN 0.634 nan 8.250 nan 0.000 0.459 855 T N -1.455 113.051 114.554 -0.080 0.000 3.105 855 T HA 0.463 4.820 4.350 0.012 0.000 0.321 855 T C -1.569 173.062 174.700 -0.115 0.000 1.135 855 T CA -0.803 61.294 62.100 -0.004 0.000 1.053 855 T CB 0.339 69.199 68.868 -0.013 0.000 1.133 855 T HN 0.386 nan 8.240 nan 0.000 0.463 856 Y N 1.332 121.589 120.300 -0.072 0.000 2.328 856 Y HA 0.630 5.187 4.550 0.012 0.000 0.333 856 Y C 0.599 176.419 175.900 -0.134 0.000 0.958 856 Y CA -1.217 56.852 58.100 -0.053 0.000 1.167 856 Y CB 1.665 40.120 38.460 -0.008 0.000 1.151 856 Y HN 0.663 nan 8.280 nan 0.000 0.470 857 R N 4.644 125.150 120.500 0.010 0.000 2.275 857 R HA 0.579 4.926 4.340 0.012 0.000 0.326 857 R C -1.448 174.786 176.300 -0.111 0.000 0.973 857 R CA -0.347 55.717 56.100 -0.060 0.000 0.854 857 R CB 0.286 30.560 30.300 -0.043 0.000 1.156 857 R HN 0.750 nan 8.270 nan 0.000 0.487 858 I N 5.213 125.658 120.570 -0.208 0.000 2.307 858 I HA 0.183 4.360 4.170 0.012 0.000 0.289 858 I C -0.171 175.810 176.117 -0.227 0.000 1.021 858 I CA -0.697 60.394 61.300 -0.348 0.000 1.224 858 I CB 1.173 38.763 38.000 -0.684 0.000 1.376 858 I HN 0.656 nan 8.210 nan 0.000 0.470 859 D N 4.122 124.434 120.400 -0.147 0.000 2.549 859 D HA 0.291 4.938 4.640 0.012 0.000 0.270 859 D C 1.391 177.661 176.300 -0.050 0.000 1.181 859 D CA -0.684 53.266 54.000 -0.084 0.000 1.070 859 D CB 0.564 41.336 40.800 -0.047 0.000 1.154 859 D HN 0.408 nan 8.370 nan 0.000 0.602 860 G N -1.116 107.668 108.800 -0.026 0.000 2.479 860 G HA2 -0.247 3.720 3.960 0.012 0.000 0.220 860 G HA3 -0.247 3.720 3.960 0.012 0.000 0.220 860 G C 1.313 176.243 174.900 0.050 0.000 1.115 860 G CA 1.239 46.343 45.100 0.006 0.000 0.757 860 G HN 0.548 nan 8.290 nan 0.000 0.560 861 S N -0.780 114.949 115.700 0.048 0.000 2.489 861 S HA 0.327 4.804 4.470 0.012 0.000 0.228 861 S C 1.896 176.561 174.600 0.109 0.000 0.995 861 S CA 1.058 59.304 58.200 0.076 0.000 0.934 861 S CB -0.090 63.147 63.200 0.061 0.000 0.771 861 S HN 1.539 nan 8.310 nan 0.000 0.522 862 G N 0.358 109.229 108.800 0.119 0.000 2.159 862 G HA2 -0.195 3.773 3.960 0.012 0.000 0.227 862 G HA3 -0.195 3.773 3.960 0.012 0.000 0.227 862 G C -0.250 174.794 174.900 0.239 0.000 0.986 862 G CA -0.086 45.158 45.100 0.240 0.000 0.651 862 G HN 0.596 nan 8.290 nan 0.000 0.523 863 Q N -0.303 119.566 119.800 0.115 0.000 2.235 863 Q HA 0.655 5.002 4.340 0.012 0.000 0.250 863 Q C 0.093 176.108 176.000 0.025 0.000 0.909 863 Q CA -0.369 55.506 55.803 0.121 0.000 0.910 863 Q CB 1.760 30.561 28.738 0.105 0.000 1.223 863 Q HN 0.418 nan 8.270 nan 0.000 0.432 864 M N 1.978 121.631 119.600 0.089 0.000 2.072 864 M HA 0.493 4.980 4.480 0.012 0.000 0.331 864 M C -1.395 174.985 176.300 0.133 0.000 1.004 864 M CA -0.490 54.826 55.300 0.027 0.000 0.952 864 M CB 0.969 33.581 32.600 0.020 0.000 1.511 864 M HN 0.711 nan 8.290 nan 0.000 0.422 865 A N 7.000 129.861 122.820 0.068 0.000 2.276 865 A HA 0.644 4.971 4.320 0.012 0.000 0.300 865 A C -0.712 176.881 177.584 0.015 0.000 1.235 865 A CA -0.598 51.479 52.037 0.066 0.000 0.867 865 A CB 0.050 19.074 19.000 0.040 0.000 1.137 865 A HN 0.925 nan 8.150 nan 0.000 0.527 866 I N 2.663 123.227 120.570 -0.009 0.000 2.330 866 I HA 0.278 4.455 4.170 0.012 0.000 0.289 866 I C -0.133 175.856 176.117 -0.214 0.000 1.001 866 I CA -0.151 61.033 61.300 -0.194 0.000 1.193 866 I CB 1.867 39.761 38.000 -0.176 0.000 1.345 866 I HN 0.483 nan 8.210 nan 0.000 0.461 867 T N 6.023 120.431 114.554 -0.243 0.000 2.758 867 T HA 0.496 4.853 4.350 0.012 0.000 0.285 867 T C -0.184 174.347 174.700 -0.281 0.000 0.981 867 T CA -0.444 61.531 62.100 -0.208 0.000 0.965 867 T CB 1.545 70.389 68.868 -0.041 0.000 0.927 867 T HN 0.202 nan 8.240 nan 0.000 0.448 868 V N 3.982 123.606 119.914 -0.482 0.000 2.487 868 V HA 0.483 4.610 4.120 0.012 0.000 0.298 868 V C -0.602 175.371 176.094 -0.202 0.000 1.028 868 V CA -0.907 61.139 62.300 -0.424 0.000 0.860 868 V CB 1.967 33.285 31.823 -0.841 0.000 0.991 868 V HN 0.841 nan 8.190 nan 0.000 0.427 869 D N 3.478 123.916 120.400 0.062 0.000 2.549 869 D HA 0.514 5.161 4.640 0.012 0.000 0.251 869 D C -1.017 175.428 176.300 0.242 0.000 1.153 869 D CA -0.118 54.007 54.000 0.208 0.000 0.861 869 D CB 2.784 43.715 40.800 0.219 0.000 1.207 869 D HN 0.256 nan 8.370 nan 0.000 0.543 870 V N 2.163 122.258 119.914 0.302 0.000 2.628 870 V HA 0.325 4.452 4.120 0.012 0.000 0.306 870 V C 0.087 176.345 176.094 0.273 0.000 1.045 870 V CA -0.703 61.789 62.300 0.321 0.000 0.905 870 V CB 2.512 34.567 31.823 0.386 0.000 0.997 870 V HN 0.372 nan 8.190 nan 0.000 0.436 871 E N 2.177 122.523 120.200 0.243 0.000 2.199 871 E HA 0.648 5.006 4.350 0.012 0.000 0.269 871 E C -1.582 175.147 176.600 0.215 0.000 0.899 871 E CA -0.589 55.930 56.400 0.198 0.000 0.772 871 E CB 2.541 32.338 29.700 0.162 0.000 1.155 871 E HN 0.426 nan 8.360 nan 0.000 0.408 872 V N 2.030 122.075 119.914 0.217 0.000 2.444 872 V HA 0.380 4.507 4.120 0.012 0.000 0.294 872 V C 0.060 176.268 176.094 0.190 0.000 1.022 872 V CA -1.019 61.438 62.300 0.262 0.000 0.850 872 V CB 1.476 33.482 31.823 0.306 0.000 0.992 872 V HN 0.841 nan 8.190 nan 0.000 0.426 873 A N 3.461 126.355 122.820 0.124 0.000 2.566 873 A HA 0.253 4.580 4.320 0.012 0.000 0.245 873 A C 1.629 179.294 177.584 0.136 0.000 1.056 873 A CA 0.643 52.733 52.037 0.089 0.000 0.757 873 A CB 0.192 19.206 19.000 0.025 0.000 0.979 873 A HN 1.395 nan 8.150 nan 0.000 0.508 874 S N 1.400 117.174 115.700 0.124 0.000 2.442 874 S HA -0.156 4.321 4.470 0.012 0.000 0.236 874 S C 0.925 175.606 174.600 0.135 0.000 1.007 874 S CA 1.282 59.573 58.200 0.151 0.000 0.965 874 S CB -0.255 63.012 63.200 0.113 0.000 0.773 874 S HN 0.828 nan 8.310 nan 0.000 0.504 875 D N 0.351 120.806 120.400 0.090 0.000 2.339 875 D HA 0.108 4.755 4.640 0.012 0.000 0.217 875 D C 0.522 176.854 176.300 0.054 0.000 1.050 875 D CA 0.059 54.093 54.000 0.057 0.000 0.856 875 D CB -0.359 40.463 40.800 0.037 0.000 0.922 875 D HN 0.325 nan 8.370 nan 0.000 0.518 876 T N 1.886 116.500 114.554 0.102 0.000 2.907 876 T HA 0.354 4.711 4.350 0.012 0.000 0.284 876 T C -2.594 172.217 174.700 0.186 0.000 1.004 876 T CA -1.888 60.303 62.100 0.152 0.000 1.063 876 T CB 1.415 70.403 68.868 0.198 0.000 0.992 876 T HN -0.107 nan 8.240 nan 0.000 0.483 877 P HA 0.069 nan 4.420 nan 0.000 0.265 877 P C -0.487 177.143 177.300 0.549 0.000 1.193 877 P CA -0.230 62.972 63.100 0.170 0.000 0.765 877 P CB 0.234 31.986 31.700 0.086 0.000 0.823 878 H N 3.466 122.922 119.070 0.642 0.000 3.094 878 H HA 0.037 4.600 4.556 0.012 0.000 0.320 878 H C -1.649 174.077 175.328 0.663 0.000 1.000 878 H CA -1.335 55.045 56.048 0.553 0.000 1.413 878 H CB -0.841 29.186 29.762 0.441 0.000 1.405 878 H HN 0.394 nan 8.280 nan 0.000 0.586 879 P HA 0.043 nan 4.420 nan 0.000 0.271 879 P C 0.364 177.561 177.300 -0.173 0.000 1.218 879 P CA -0.205 62.939 63.100 0.073 0.000 0.780 879 P CB 0.846 32.395 31.700 -0.251 0.000 0.901 880 A N 4.049 126.497 122.820 -0.621 0.000 1.972 880 A HA -0.125 4.202 4.320 0.012 0.000 0.219 880 A C 1.105 178.308 177.584 -0.634 0.000 1.169 880 A CA 1.379 53.023 52.037 -0.656 0.000 0.635 880 A CB -0.548 17.820 19.000 -1.053 0.000 0.810 880 A HN 0.776 nan 8.150 nan 0.000 0.446 881 R N -3.050 117.099 120.500 -0.586 0.000 2.728 881 R HA 0.741 5.088 4.340 0.012 0.000 0.274 881 R C -1.598 174.429 176.300 -0.455 0.000 1.030 881 R CA -0.788 54.981 56.100 -0.551 0.000 0.876 881 R CB 0.797 30.732 30.300 -0.609 0.000 1.259 881 R HN -0.007 nan 8.270 nan 0.000 0.468 882 I N 1.081 121.409 120.570 -0.403 0.000 2.540 882 I HA 0.646 4.823 4.170 0.012 0.000 0.280 882 I C -0.493 175.358 176.117 -0.443 0.000 1.083 882 I CA -0.374 60.695 61.300 -0.386 0.000 1.080 882 I CB 1.776 39.634 38.000 -0.238 0.000 1.205 882 I HN 0.992 nan 8.210 nan 0.000 0.459 883 G N 5.770 114.246 108.800 -0.541 0.000 2.664 883 G HA2 0.738 4.705 3.960 0.012 0.000 0.303 883 G HA3 0.738 4.705 3.960 0.012 0.000 0.303 883 G C -1.677 173.030 174.900 -0.322 0.000 1.243 883 G CA -0.555 44.290 45.100 -0.426 0.000 0.826 883 G HN 0.261 nan 8.290 nan 0.000 0.498 884 L N 0.802 121.897 121.223 -0.214 0.000 2.309 884 L HA 0.689 5.036 4.340 0.012 0.000 0.261 884 L C -0.730 176.033 176.870 -0.178 0.000 1.021 884 L CA -1.130 53.617 54.840 -0.155 0.000 0.823 884 L CB 2.509 44.560 42.059 -0.013 0.000 1.366 884 L HN 0.843 nan 8.230 nan 0.000 0.423 885 N N 0.334 118.962 118.700 -0.120 0.000 2.823 885 N HA 0.659 5.406 4.740 0.012 0.000 0.251 885 N C -1.356 174.160 175.510 0.011 0.000 1.392 885 N CA -0.498 52.513 53.050 -0.065 0.000 0.864 885 N CB 2.384 40.851 38.487 -0.034 0.000 1.481 885 N HN 0.886 nan 8.380 nan 0.000 0.508 886 C N -1.496 117.829 119.300 0.042 0.000 3.275 886 C HA 0.558 5.025 4.460 0.012 0.000 0.340 886 C C -1.258 173.560 174.990 -0.286 0.000 1.366 886 C CA -0.837 58.153 59.018 -0.047 0.000 1.227 886 C CB 1.029 28.767 27.740 -0.005 0.000 1.512 886 C HN 0.868 nan 8.230 nan 0.000 0.461 887 Q N 1.432 120.850 119.800 -0.638 0.000 2.431 887 Q HA 0.619 4.966 4.340 0.012 0.000 0.249 887 Q C -0.920 174.796 176.000 -0.473 0.000 1.025 887 Q CA -0.422 54.776 55.803 -1.007 0.000 0.835 887 Q CB 0.681 28.413 28.738 -1.677 0.000 1.207 887 Q HN 0.751 nan 8.270 nan 0.000 0.490 888 L N 2.614 123.679 121.223 -0.264 0.000 2.456 888 L HA 0.138 4.485 4.340 0.012 0.000 0.272 888 L C 1.269 178.086 176.870 -0.088 0.000 1.189 888 L CA -0.066 54.744 54.840 -0.051 0.000 0.846 888 L CB 0.616 42.773 42.059 0.164 0.000 1.111 888 L HN 0.796 nan 8.230 nan 0.000 0.475 889 A N 2.492 125.280 122.820 -0.054 0.000 2.014 889 A HA -0.071 4.256 4.320 0.012 0.000 0.218 889 A C 1.113 178.681 177.584 -0.028 0.000 1.163 889 A CA 0.720 52.713 52.037 -0.074 0.000 0.652 889 A CB -0.154 18.791 19.000 -0.092 0.000 0.808 889 A HN 0.818 nan 8.150 nan 0.000 0.449 890 Q N -0.447 119.372 119.800 0.032 0.000 2.260 890 Q HA 0.509 4.856 4.340 0.012 0.000 0.238 890 Q C -1.580 174.457 176.000 0.061 0.000 0.948 890 Q CA -0.285 55.528 55.803 0.016 0.000 0.895 890 Q CB 1.257 29.983 28.738 -0.019 0.000 1.218 890 Q HN 0.135 nan 8.270 nan 0.000 0.470 891 V N 2.434 122.350 119.914 0.002 0.000 2.445 891 V HA 0.495 4.622 4.120 0.012 0.000 0.283 891 V C -0.512 175.554 176.094 -0.047 0.000 1.014 891 V CA -0.556 61.778 62.300 0.056 0.000 0.852 891 V CB 0.900 32.743 31.823 0.033 0.000 1.021 891 V HN 0.868 nan 8.190 nan 0.000 0.435 892 A N 3.214 125.924 122.820 -0.184 0.000 2.242 892 A HA 0.687 5.014 4.320 0.012 0.000 0.304 892 A C 0.829 178.409 177.584 -0.007 0.000 1.100 892 A CA -0.295 51.593 52.037 -0.249 0.000 0.860 892 A CB 0.786 19.403 19.000 -0.638 0.000 1.168 892 A HN 0.790 nan 8.150 nan 0.000 0.503 893 E N -0.444 119.754 120.200 -0.005 0.000 2.190 893 E HA 0.020 4.377 4.350 0.012 0.000 0.191 893 E C 0.018 176.684 176.600 0.109 0.000 0.978 893 E CA 0.450 56.882 56.400 0.054 0.000 0.839 893 E CB 0.209 29.923 29.700 0.024 0.000 0.787 893 E HN 0.424 nan 8.360 nan 0.000 0.473 894 R N 0.491 121.061 120.500 0.118 0.000 2.854 894 R HA 0.520 4.867 4.340 0.012 0.000 0.271 894 R C -0.789 175.687 176.300 0.294 0.000 0.996 894 R CA -0.846 55.359 56.100 0.174 0.000 0.961 894 R CB 1.892 32.261 30.300 0.114 0.000 1.182 894 R HN -0.180 nan 8.270 nan 0.000 0.479 895 V N 2.157 122.267 119.914 0.327 0.000 2.443 895 V HA 0.321 4.448 4.120 0.012 0.000 0.293 895 V C -0.254 176.110 176.094 0.450 0.000 1.021 895 V CA -0.957 61.585 62.300 0.404 0.000 0.848 895 V CB 1.702 33.720 31.823 0.326 0.000 0.998 895 V HN 0.654 nan 8.190 nan 0.000 0.424 896 N N 4.792 123.717 118.700 0.376 0.000 2.392 896 N HA 0.520 5.267 4.740 0.012 0.000 0.283 896 N C -1.269 174.466 175.510 0.374 0.000 1.003 896 N CA -0.399 52.831 53.050 0.301 0.000 0.892 896 N CB 2.503 41.068 38.487 0.129 0.000 1.193 896 N HN 0.807 nan 8.380 nan 0.000 0.487 897 W N 3.449 124.777 121.300 0.046 0.000 3.167 897 W HA 0.557 5.224 4.660 0.012 0.000 0.324 897 W C -2.120 174.350 176.519 -0.082 0.000 1.230 897 W CA -1.133 56.208 57.345 -0.006 0.000 1.184 897 W CB 0.635 30.116 29.460 0.035 0.000 1.414 897 W HN 0.222 nan 8.180 nan 0.000 0.551 898 L N 4.567 125.743 121.223 -0.079 0.000 2.283 898 L HA 0.910 5.257 4.340 0.012 0.000 0.281 898 L C 0.034 176.694 176.870 -0.350 0.000 1.033 898 L CA 0.400 55.001 54.840 -0.399 0.000 0.848 898 L CB 0.528 42.435 42.059 -0.254 0.000 1.226 898 L HN 1.006 nan 8.230 nan 0.000 0.429 899 G N 3.721 112.188 108.800 -0.554 0.000 2.335 899 G HA2 0.189 4.156 3.960 0.012 0.000 0.291 899 G HA3 0.189 4.156 3.960 0.012 0.000 0.291 899 G C -1.545 173.386 174.900 0.052 0.000 1.261 899 G CA -1.073 43.900 45.100 -0.211 0.000 0.871 899 G HN 0.413 nan 8.290 nan 0.000 0.491 900 L N 1.256 122.634 121.223 0.259 0.000 2.410 900 L HA 0.546 4.893 4.340 0.012 0.000 0.273 900 L C 1.097 178.089 176.870 0.202 0.000 1.144 900 L CA 0.875 55.835 54.840 0.201 0.000 0.863 900 L CB 0.265 42.385 42.059 0.101 0.000 1.140 900 L HN 1.122 nan 8.230 nan 0.000 0.463 901 G N 3.291 111.992 108.800 -0.166 0.000 2.490 901 G HA2 0.274 4.241 3.960 0.012 0.000 0.308 901 G HA3 0.274 4.241 3.960 0.012 0.000 0.308 901 G C -2.692 171.335 174.900 -1.454 0.000 1.286 901 G CA -0.256 44.370 45.100 -0.790 0.000 0.825 901 G HN 0.324 nan 8.290 nan 0.000 0.479 902 P HA 0.045 nan 4.420 nan 0.000 0.227 902 P C 0.445 177.551 177.300 -0.323 0.000 1.161 902 P CA 0.672 63.093 63.100 -1.132 0.000 0.788 902 P CB 0.542 31.709 31.700 -0.889 0.000 0.822 903 Q N 0.497 120.088 119.800 -0.348 0.000 2.317 903 Q HA 0.151 4.499 4.340 0.012 0.000 0.229 903 Q C 0.367 176.248 176.000 -0.199 0.000 0.984 903 Q CA -0.584 55.094 55.803 -0.208 0.000 0.911 903 Q CB 0.702 29.336 28.738 -0.173 0.000 1.217 903 Q HN 0.112 nan 8.270 nan 0.000 0.501 904 E N 1.545 121.635 120.200 -0.182 0.000 2.608 904 E HA -0.127 4.230 4.350 0.012 0.000 0.259 904 E C -1.171 175.348 176.600 -0.135 0.000 0.951 904 E CA 0.303 56.587 56.400 -0.193 0.000 0.945 904 E CB 0.201 29.851 29.700 -0.084 0.000 0.916 904 E HN 0.573 nan 8.360 nan 0.000 0.477 905 N N 2.900 121.448 118.700 -0.253 0.000 2.308 905 N HA 0.327 5.074 4.740 0.012 0.000 0.283 905 N C -1.853 173.431 175.510 -0.378 0.000 1.105 905 N CA -0.675 52.278 53.050 -0.162 0.000 0.840 905 N CB 0.736 39.141 38.487 -0.137 0.000 1.633 905 N HN 0.215 nan 8.380 nan 0.000 0.476 906 Y N 0.079 120.284 120.300 -0.159 0.000 2.630 906 Y HA 0.503 5.060 4.550 0.012 0.000 0.337 906 Y C -1.622 174.190 175.900 -0.148 0.000 1.051 906 Y CA -2.066 55.927 58.100 -0.179 0.000 1.121 906 Y CB 1.793 40.149 38.460 -0.174 0.000 1.299 906 Y HN 0.442 nan 8.280 nan 0.000 0.498 907 P HA -0.205 nan 4.420 nan 0.000 0.216 907 P C 0.370 177.449 177.300 -0.367 0.000 1.157 907 P CA 2.319 65.401 63.100 -0.029 0.000 0.880 907 P CB 0.175 31.958 31.700 0.138 0.000 0.791 908 D N -2.374 117.611 120.400 -0.692 0.000 2.336 908 D HA 0.010 4.657 4.640 0.012 0.000 0.228 908 D C 0.601 176.741 176.300 -0.266 0.000 1.120 908 D CA 0.108 53.547 54.000 -0.935 0.000 0.839 908 D CB -0.341 39.760 40.800 -1.166 0.000 0.932 908 D HN 0.116 nan 8.370 nan 0.000 0.509 909 R N 0.966 121.403 120.500 -0.104 0.000 2.734 909 R HA 0.170 4.517 4.340 0.012 0.000 0.242 909 R C -0.743 175.582 176.300 0.041 0.000 1.617 909 R CA -0.147 55.964 56.100 0.019 0.000 1.572 909 R CB 0.086 30.407 30.300 0.034 0.000 1.477 909 R HN 0.117 nan 8.270 nan 0.000 0.707 910 L N -1.622 119.630 121.223 0.049 0.000 3.520 910 L HA 0.315 4.663 4.340 0.012 0.000 0.323 910 L C 1.366 178.282 176.870 0.078 0.000 1.246 910 L CA 0.253 55.119 54.840 0.044 0.000 1.085 910 L CB -0.021 42.053 42.059 0.024 0.000 1.477 910 L HN 0.116 nan 8.230 nan 0.000 0.624 911 T N -2.273 112.357 114.554 0.126 0.000 2.833 911 T HA -0.068 4.289 4.350 0.012 0.000 0.269 911 T C 1.843 176.563 174.700 0.033 0.000 1.054 911 T CA 1.536 63.734 62.100 0.163 0.000 1.135 911 T CB -0.445 68.591 68.868 0.280 0.000 0.869 911 T HN 0.404 nan 8.240 nan 0.000 0.466 912 A N 2.060 124.908 122.820 0.046 0.000 1.968 912 A HA 0.571 4.898 4.320 0.012 0.000 0.217 912 A C 1.743 179.379 177.584 0.087 0.000 1.169 912 A CA 0.749 52.783 52.037 -0.005 0.000 0.638 912 A CB -1.142 17.982 19.000 0.207 0.000 0.812 912 A HN 0.887 nan 8.150 nan 0.000 0.446 913 A N -1.231 121.594 122.820 0.010 0.000 2.425 913 A HA 0.421 4.748 4.320 0.012 0.000 0.242 913 A C 0.039 177.621 177.584 -0.004 0.000 1.077 913 A CA 0.088 52.088 52.037 -0.061 0.000 0.781 913 A CB -0.181 18.777 19.000 -0.071 0.000 1.020 913 A HN 0.540 nan 8.150 nan 0.000 0.494 914 C N 0.575 119.869 119.300 -0.010 0.000 2.507 914 C HA 0.526 4.994 4.460 0.012 0.000 0.319 914 C C -0.123 174.972 174.990 0.174 0.000 1.208 914 C CA -0.516 58.560 59.018 0.096 0.000 1.619 914 C CB 0.710 28.519 27.740 0.115 0.000 2.230 914 C HN 0.787 nan 8.230 nan 0.000 0.492 915 F N 3.912 123.706 119.950 -0.259 0.000 2.472 915 F HA 0.458 4.992 4.527 0.012 0.000 0.364 915 F C 0.441 175.927 175.800 -0.523 0.000 1.090 915 F CA 1.329 59.028 58.000 -0.501 0.000 1.188 915 F CB 0.006 38.185 39.000 -1.369 0.000 1.105 915 F HN 0.639 nan 8.300 nan 0.000 0.536 916 D N 3.140 122.955 120.400 -0.976 0.000 2.879 916 D HA 0.138 4.785 4.640 0.012 0.000 0.346 916 D C -1.686 173.716 176.300 -1.497 0.000 1.390 916 D CA -0.728 52.572 54.000 -1.166 0.000 0.838 916 D CB 1.324 41.358 40.800 -1.277 0.000 1.416 916 D HN 0.426 nan 8.370 nan 0.000 0.493 917 R N 0.927 120.638 120.500 -1.313 0.000 2.205 917 R HA 0.445 4.792 4.340 0.012 0.000 0.342 917 R C -1.390 174.154 176.300 -1.259 0.000 1.058 917 R CA -0.145 55.337 56.100 -1.031 0.000 0.904 917 R CB -0.124 29.813 30.300 -0.604 0.000 1.089 917 R HN 0.248 nan 8.270 nan 0.000 0.471 918 W N 2.803 123.564 121.300 -0.899 0.000 2.570 918 W HA 0.416 5.083 4.660 0.012 0.000 0.337 918 W C -0.258 175.869 176.519 -0.652 0.000 1.067 918 W CA -0.680 56.073 57.345 -0.987 0.000 1.229 918 W CB 1.585 29.940 29.460 -1.842 0.000 1.355 918 W HN 0.373 nan 8.180 nan 0.000 0.555 919 D N 3.097 123.443 120.400 -0.090 0.000 2.616 919 D HA 0.431 5.078 4.640 0.012 0.000 0.238 919 D C -1.420 174.967 176.300 0.144 0.000 1.354 919 D CA -0.142 53.895 54.000 0.060 0.000 0.970 919 D CB 0.926 41.727 40.800 0.000 0.000 1.369 919 D HN 0.376 nan 8.370 nan 0.000 0.585 920 L N 3.148 124.529 121.223 0.264 0.000 2.327 920 L HA 0.613 4.960 4.340 0.012 0.000 0.258 920 L C -2.297 174.689 176.870 0.193 0.000 1.024 920 L CA -2.048 52.923 54.840 0.219 0.000 0.825 920 L CB 2.739 44.962 42.059 0.272 0.000 1.386 920 L HN 0.170 nan 8.230 nan 0.000 0.417 921 P HA 0.046 nan 4.420 nan 0.000 0.274 921 P C 0.548 177.928 177.300 0.133 0.000 1.231 921 P CA -0.470 62.702 63.100 0.121 0.000 0.790 921 P CB 1.373 33.123 31.700 0.084 0.000 0.951 922 L N 3.362 124.670 121.223 0.141 0.000 2.051 922 L HA -0.265 4.082 4.340 0.012 0.000 0.214 922 L C 2.503 179.426 176.870 0.088 0.000 1.076 922 L CA 2.922 57.837 54.840 0.125 0.000 0.758 922 L CB -1.724 40.420 42.059 0.141 0.000 0.890 922 L HN 0.523 nan 8.230 nan 0.000 0.433 923 S N -1.394 114.360 115.700 0.089 0.000 2.374 923 S HA -0.244 4.233 4.470 0.012 0.000 0.227 923 S C 1.682 176.353 174.600 0.119 0.000 1.037 923 S CA 1.432 59.700 58.200 0.113 0.000 1.024 923 S CB -1.000 62.258 63.200 0.097 0.000 0.861 923 S HN 0.579 nan 8.310 nan 0.000 0.456 924 D N 1.081 121.527 120.400 0.076 0.000 2.378 924 D HA 0.053 4.700 4.640 0.012 0.000 0.222 924 D C 1.198 177.499 176.300 0.002 0.000 0.980 924 D CA 0.630 54.651 54.000 0.036 0.000 0.907 924 D CB -0.170 40.658 40.800 0.047 0.000 0.899 924 D HN 0.401 nan 8.370 nan 0.000 0.527 925 M N -0.398 119.214 119.600 0.020 0.000 2.563 925 M HA 0.036 4.523 4.480 0.012 0.000 0.231 925 M C -0.022 176.275 176.300 -0.004 0.000 1.136 925 M CA -0.060 55.204 55.300 -0.060 0.000 1.026 925 M CB -0.874 31.680 32.600 -0.076 0.000 1.597 925 M HN -0.055 nan 8.290 nan 0.000 0.495 926 Y N 0.035 120.293 120.300 -0.070 0.000 2.350 926 Y HA 0.481 5.038 4.550 0.012 0.000 0.338 926 Y C -0.726 175.122 175.900 -0.087 0.000 0.961 926 Y CA -1.113 56.966 58.100 -0.035 0.000 1.100 926 Y CB 1.204 39.711 38.460 0.079 0.000 1.179 926 Y HN -0.136 nan 8.280 nan 0.000 0.454 927 T N 9.494 123.637 114.554 -0.685 0.000 2.738 927 T HA 0.247 4.604 4.350 0.012 0.000 0.298 927 T C -2.579 171.404 174.700 -1.196 0.000 0.962 927 T CA -1.429 60.168 62.100 -0.839 0.000 0.972 927 T CB 0.801 69.220 68.868 -0.747 0.000 0.928 927 T HN 0.468 nan 8.240 nan 0.000 0.474 928 P HA 0.029 nan 4.420 nan 0.000 0.235 928 P C -0.746 176.401 177.300 -0.256 0.000 1.720 928 P CA -0.332 62.341 63.100 -0.711 0.000 1.003 928 P CB -0.596 30.796 31.700 -0.512 0.000 1.968 929 Y N 0.074 120.316 120.300 -0.095 0.000 2.544 929 Y HA -0.075 4.482 4.550 0.012 0.000 0.330 929 Y C 2.233 178.198 175.900 0.108 0.000 1.136 929 Y CA -0.109 58.004 58.100 0.021 0.000 1.417 929 Y CB 0.180 38.599 38.460 -0.068 0.000 1.229 929 Y HN -0.066 nan 8.280 nan 0.000 0.532 930 V N 3.539 123.685 119.914 0.386 0.000 2.317 930 V HA -0.325 3.802 4.120 0.012 0.000 0.251 930 V C 0.709 177.002 176.094 0.330 0.000 1.065 930 V CA 1.583 64.091 62.300 0.347 0.000 1.049 930 V CB -0.682 31.381 31.823 0.399 0.000 0.651 930 V HN 0.603 nan 8.190 nan 0.000 0.450 931 F N 2.675 122.711 119.950 0.143 0.000 2.391 931 F HA 0.510 5.044 4.527 0.012 0.000 0.359 931 F C -2.454 173.392 175.800 0.077 0.000 1.122 931 F CA -3.551 54.481 58.000 0.055 0.000 1.120 931 F CB 0.856 39.800 39.000 -0.093 0.000 1.142 931 F HN -0.024 nan 8.300 nan 0.000 0.483 932 P HA 0.241 nan 4.420 nan 0.000 0.268 932 P C -1.100 175.944 177.300 -0.426 0.000 1.205 932 P CA 0.188 63.081 63.100 -0.345 0.000 0.771 932 P CB 1.088 32.597 31.700 -0.318 0.000 0.858 933 S N 0.240 115.869 115.700 -0.120 0.000 2.671 933 S HA 0.434 4.911 4.470 0.012 0.000 0.267 933 S C -0.897 173.721 174.600 0.030 0.000 1.155 933 S CA -0.985 57.183 58.200 -0.053 0.000 0.825 933 S CB 0.413 63.612 63.200 -0.001 0.000 1.147 933 S HN 0.323 nan 8.310 nan 0.000 0.482 934 E N 1.243 121.467 120.200 0.040 0.000 2.502 934 E HA 0.382 4.739 4.350 0.012 0.000 0.261 934 E C -0.181 176.492 176.600 0.122 0.000 0.974 934 E CA 0.778 57.225 56.400 0.078 0.000 0.936 934 E CB -0.229 29.537 29.700 0.111 0.000 0.926 934 E HN 0.796 nan 8.360 nan 0.000 0.459 935 N N 1.404 120.201 118.700 0.162 0.000 2.927 935 N HA 0.492 5.239 4.740 0.012 0.000 0.248 935 N C 0.200 175.764 175.510 0.090 0.000 1.443 935 N CA -0.568 52.609 53.050 0.212 0.000 0.870 935 N CB 0.882 39.494 38.487 0.208 0.000 1.444 935 N HN 0.700 nan 8.380 nan 0.000 0.519 936 G N -1.282 107.528 108.800 0.017 0.000 2.168 936 G HA2 -0.277 3.690 3.960 0.012 0.000 0.263 936 G HA3 -0.277 3.690 3.960 0.012 0.000 0.263 936 G C -0.170 174.469 174.900 -0.434 0.000 0.977 936 G CA 0.554 45.545 45.100 -0.182 0.000 0.659 936 G HN 0.721 nan 8.290 nan 0.000 0.533 937 L N -0.157 120.747 121.223 -0.532 0.000 2.483 937 L HA 0.696 5.043 4.340 0.012 0.000 0.275 937 L C 0.607 176.898 176.870 -0.966 0.000 1.220 937 L CA 0.364 54.648 54.840 -0.927 0.000 0.833 937 L CB 0.578 41.787 42.059 -1.416 0.000 1.102 937 L HN 0.255 nan 8.230 nan 0.000 0.490 938 R N 2.327 122.198 120.500 -1.048 0.000 2.533 938 R HA 0.492 4.839 4.340 0.012 0.000 0.288 938 R C -1.091 174.883 176.300 -0.543 0.000 1.039 938 R CA -0.289 55.331 56.100 -0.802 0.000 0.909 938 R CB 1.365 31.032 30.300 -1.054 0.000 1.195 938 R HN 0.745 nan 8.270 nan 0.000 0.438 939 C N 0.266 119.381 119.300 -0.308 0.000 2.380 939 C HA 0.743 5.210 4.460 0.012 0.000 0.393 939 C C 1.334 176.310 174.990 -0.024 0.000 1.284 939 C CA -0.060 58.857 59.018 -0.168 0.000 2.033 939 C CB 1.252 28.909 27.740 -0.139 0.000 2.165 939 C HN 1.031 nan 8.230 nan 0.000 0.540 940 G N 1.551 110.349 108.800 -0.004 0.000 2.341 940 G HA2 -0.189 3.778 3.960 0.012 0.000 0.292 940 G HA3 -0.189 3.778 3.960 0.012 0.000 0.292 940 G C -0.056 174.919 174.900 0.125 0.000 1.021 940 G CA 0.598 45.749 45.100 0.086 0.000 0.905 940 G HN 0.813 nan 8.290 nan 0.000 0.508 941 T N 0.129 114.633 114.554 -0.085 0.000 2.771 941 T HA 0.495 4.852 4.350 0.012 0.000 0.291 941 T C 1.344 175.787 174.700 -0.427 0.000 0.954 941 T CA -0.590 61.410 62.100 -0.167 0.000 1.045 941 T CB 1.314 70.071 68.868 -0.185 0.000 0.917 941 T HN 0.233 nan 8.240 nan 0.000 0.484 942 R N 1.647 122.084 120.500 -0.104 0.000 2.282 942 R HA 0.275 4.622 4.340 0.012 0.000 0.195 942 R C 0.500 176.815 176.300 0.026 0.000 0.909 942 R CA 0.177 56.263 56.100 -0.024 0.000 1.039 942 R CB 0.429 30.840 30.300 0.184 0.000 1.015 942 R HN 0.686 nan 8.270 nan 0.000 0.513 943 E N 0.634 120.848 120.200 0.023 0.000 2.311 943 E HA 0.281 4.638 4.350 0.012 0.000 0.281 943 E C -1.841 174.854 176.600 0.159 0.000 0.905 943 E CA -0.612 55.868 56.400 0.134 0.000 0.778 943 E CB 1.446 31.203 29.700 0.095 0.000 1.240 943 E HN -0.095 nan 8.360 nan 0.000 0.410 944 L N 4.285 125.658 121.223 0.251 0.000 2.362 944 L HA 0.598 4.945 4.340 0.012 0.000 0.275 944 L C -1.661 175.372 176.870 0.271 0.000 0.998 944 L CA -0.396 54.545 54.840 0.168 0.000 0.820 944 L CB 1.657 43.691 42.059 -0.042 0.000 1.270 944 L HN 0.474 nan 8.230 nan 0.000 0.415 945 N N 4.534 123.376 118.700 0.236 0.000 2.346 945 N HA 0.383 5.130 4.740 0.012 0.000 0.289 945 N C -2.002 173.708 175.510 0.333 0.000 1.027 945 N CA -0.276 52.900 53.050 0.210 0.000 0.864 945 N CB 2.236 40.796 38.487 0.121 0.000 1.370 945 N HN 0.595 nan 8.380 nan 0.000 0.481 946 Y N 1.306 121.704 120.300 0.163 0.000 2.287 946 Y HA 0.383 4.940 4.550 0.012 0.000 0.325 946 Y C 0.589 176.547 175.900 0.097 0.000 1.139 946 Y CA 0.175 58.385 58.100 0.184 0.000 1.167 946 Y CB 0.427 39.085 38.460 0.330 0.000 1.158 946 Y HN 0.859 nan 8.280 nan 0.000 0.434 947 G N 6.474 115.064 108.800 -0.350 0.000 2.561 947 G HA2 -0.296 3.671 3.960 0.012 0.000 0.289 947 G HA3 -0.296 3.671 3.960 0.012 0.000 0.289 947 G C -1.769 172.962 174.900 -0.282 0.000 1.169 947 G CA 0.168 45.044 45.100 -0.374 0.000 0.980 947 G HN 0.596 nan 8.290 nan 0.000 0.550 948 P HA 0.190 nan 4.420 nan 0.000 0.261 948 P C -0.007 177.056 177.300 -0.395 0.000 1.268 948 P CA 0.522 63.390 63.100 -0.386 0.000 0.833 948 P CB 0.107 31.554 31.700 -0.420 0.000 1.231 949 H N 0.416 119.388 119.070 -0.163 0.000 2.483 949 H HA 0.507 5.070 4.556 0.012 0.000 0.338 949 H C -0.148 174.837 175.328 -0.571 0.000 1.152 949 H CA -0.081 55.714 56.048 -0.421 0.000 1.264 949 H CB 1.653 30.941 29.762 -0.792 0.000 1.510 949 H HN 0.082 nan 8.280 nan 0.000 0.530 950 Q N 2.069 121.519 119.800 -0.583 0.000 2.289 950 Q HA 0.233 4.580 4.340 0.012 0.000 0.270 950 Q C -1.637 174.040 176.000 -0.538 0.000 1.038 950 Q CA -0.679 54.900 55.803 -0.374 0.000 0.812 950 Q CB 2.120 30.796 28.738 -0.103 0.000 1.300 950 Q HN 0.572 nan 8.270 nan 0.000 0.427 951 W N 3.866 125.098 121.300 -0.113 0.000 2.632 951 W HA 0.579 5.246 4.660 0.012 0.000 0.328 951 W C -0.179 176.408 176.519 0.114 0.000 1.044 951 W CA -0.644 56.612 57.345 -0.147 0.000 1.225 951 W CB 1.951 31.152 29.460 -0.432 0.000 1.396 951 W HN 0.530 nan 8.180 nan 0.000 0.499 952 R N 0.660 121.378 120.500 0.364 0.000 2.795 952 R HA 0.783 5.131 4.340 0.012 0.000 0.275 952 R C 0.194 176.742 176.300 0.413 0.000 0.981 952 R CA -0.497 55.825 56.100 0.369 0.000 0.917 952 R CB 2.425 32.856 30.300 0.218 0.000 1.202 952 R HN 0.746 nan 8.270 nan 0.000 0.469 953 G N 0.738 109.758 108.800 0.367 0.000 2.480 953 G HA2 -0.041 3.926 3.960 0.012 0.000 0.109 953 G HA3 -0.041 3.926 3.960 0.012 0.000 0.109 953 G C -1.740 173.274 174.900 0.191 0.000 1.172 953 G CA -0.317 44.972 45.100 0.316 0.000 1.091 953 G HN 0.511 nan 8.290 nan 0.000 0.464 954 D N 0.088 120.606 120.400 0.196 0.000 2.411 954 D HA 0.576 5.224 4.640 0.012 0.000 0.239 954 D C -0.622 175.676 176.300 -0.003 0.000 1.307 954 D CA -0.439 53.563 54.000 0.002 0.000 0.930 954 D CB 0.098 40.929 40.800 0.052 0.000 1.395 954 D HN 0.591 nan 8.370 nan 0.000 0.536 955 F N -0.246 119.690 119.950 -0.024 0.000 2.790 955 F HA 0.759 5.293 4.527 0.012 0.000 0.337 955 F C -0.986 174.769 175.800 -0.075 0.000 1.163 955 F CA -0.987 56.940 58.000 -0.122 0.000 0.997 955 F CB 0.785 39.706 39.000 -0.131 0.000 1.437 955 F HN -0.165 nan 8.300 nan 0.000 0.512 956 Q N 1.539 121.430 119.800 0.152 0.000 2.345 956 Q HA 0.614 4.961 4.340 0.012 0.000 0.268 956 Q C -1.329 174.758 176.000 0.145 0.000 1.054 956 Q CA -0.499 55.306 55.803 0.003 0.000 0.835 956 Q CB 2.680 31.314 28.738 -0.172 0.000 1.339 956 Q HN 0.839 nan 8.270 nan 0.000 0.447 957 F N -0.920 118.919 119.950 -0.185 0.000 2.668 957 F HA 0.755 5.289 4.527 0.012 0.000 0.309 957 F C -1.630 173.954 175.800 -0.360 0.000 1.117 957 F CA -1.108 56.745 58.000 -0.245 0.000 0.951 957 F CB 1.552 40.445 39.000 -0.177 0.000 1.323 957 F HN 0.564 nan 8.300 nan 0.000 0.451 958 N N 1.899 120.384 118.700 -0.359 0.000 2.277 958 N HA 0.713 5.460 4.740 0.012 0.000 0.286 958 N C -2.164 173.257 175.510 -0.147 0.000 1.140 958 N CA -0.706 52.105 53.050 -0.399 0.000 0.799 958 N CB 2.559 40.857 38.487 -0.315 0.000 1.596 958 N HN 1.139 nan 8.380 nan 0.000 0.473 959 I N 0.560 121.045 120.570 -0.142 0.000 2.644 959 I HA 0.737 4.914 4.170 0.012 0.000 0.291 959 I C -1.365 174.668 176.117 -0.141 0.000 1.180 959 I CA -0.024 61.180 61.300 -0.161 0.000 1.040 959 I CB 1.512 39.358 38.000 -0.257 0.000 1.255 959 I HN 1.075 nan 8.210 nan 0.000 0.422 960 S N 6.150 121.777 115.700 -0.121 0.000 2.669 960 S HA 0.490 4.967 4.470 0.012 0.000 0.266 960 S C -0.285 174.197 174.600 -0.197 0.000 1.149 960 S CA -0.956 57.159 58.200 -0.141 0.000 0.842 960 S CB 1.457 64.622 63.200 -0.058 0.000 1.160 960 S HN 0.636 nan 8.310 nan 0.000 0.487 961 R N -0.199 120.007 120.500 -0.490 0.000 2.334 961 R HA 0.271 4.619 4.340 0.012 0.000 0.220 961 R C -0.935 174.997 176.300 -0.613 0.000 0.917 961 R CA 0.332 56.102 56.100 -0.550 0.000 1.073 961 R CB -0.964 28.910 30.300 -0.709 0.000 1.056 961 R HN 0.629 nan 8.270 nan 0.000 0.506 962 Y N -0.043 120.199 120.300 -0.097 0.000 2.350 962 Y HA 0.273 4.830 4.550 0.012 0.000 0.338 962 Y C 0.682 176.390 175.900 -0.319 0.000 0.961 962 Y CA -1.479 56.488 58.100 -0.220 0.000 1.100 962 Y CB 1.355 39.626 38.460 -0.315 0.000 1.179 962 Y HN -0.119 nan 8.280 nan 0.000 0.454 963 S N 1.711 117.111 115.700 -0.500 0.000 2.617 963 S HA 0.124 4.601 4.470 0.012 0.000 0.269 963 S C 0.856 175.152 174.600 -0.505 0.000 1.292 963 S CA -0.752 56.844 58.200 -1.007 0.000 1.010 963 S CB 1.259 63.475 63.200 -1.640 0.000 0.944 963 S HN 0.692 nan 8.310 nan 0.000 0.536 964 Q N 0.745 120.269 119.800 -0.460 0.000 2.181 964 Q HA -0.192 4.155 4.340 0.012 0.000 0.205 964 Q C 2.113 177.988 176.000 -0.209 0.000 0.980 964 Q CA 1.698 57.355 55.803 -0.244 0.000 0.862 964 Q CB -0.515 28.108 28.738 -0.191 0.000 0.905 964 Q HN 0.933 nan 8.270 nan 0.000 0.429 965 Q N 0.508 120.140 119.800 -0.281 0.000 2.020 965 Q HA -0.210 4.137 4.340 0.012 0.000 0.202 965 Q C 2.152 178.058 176.000 -0.156 0.000 0.982 965 Q CA 1.523 57.217 55.803 -0.182 0.000 0.838 965 Q CB 0.034 28.660 28.738 -0.187 0.000 0.899 965 Q HN 0.416 nan 8.270 nan 0.000 0.423 966 Q N 0.049 119.732 119.800 -0.196 0.000 2.084 966 Q HA -0.168 4.179 4.340 0.012 0.000 0.202 966 Q C 2.203 178.108 176.000 -0.158 0.000 0.978 966 Q CA 1.214 56.931 55.803 -0.145 0.000 0.844 966 Q CB -0.080 28.561 28.738 -0.161 0.000 0.898 966 Q HN 0.446 nan 8.270 nan 0.000 0.426 967 L N 0.041 121.158 121.223 -0.177 0.000 2.079 967 L HA -0.215 4.132 4.340 0.012 0.000 0.210 967 L C 2.662 179.420 176.870 -0.186 0.000 1.081 967 L CA 1.132 55.862 54.840 -0.182 0.000 0.752 967 L CB -0.323 41.657 42.059 -0.133 0.000 0.896 967 L HN 0.402 nan 8.230 nan 0.000 0.433 968 M N -0.558 118.960 119.600 -0.136 0.000 2.254 968 M HA -0.176 4.311 4.480 0.012 0.000 0.265 968 M C 1.723 177.964 176.300 -0.098 0.000 1.066 968 M CA 1.676 56.912 55.300 -0.108 0.000 1.123 968 M CB 0.109 32.660 32.600 -0.082 0.000 1.388 968 M HN 0.213 nan 8.290 nan 0.000 0.425 969 E N -1.199 118.946 120.200 -0.092 0.000 2.447 969 E HA 0.045 4.402 4.350 0.012 0.000 0.195 969 E C -0.136 176.433 176.600 -0.052 0.000 1.028 969 E CA 0.160 56.526 56.400 -0.056 0.000 0.876 969 E CB 0.336 30.012 29.700 -0.040 0.000 0.885 969 E HN 0.294 nan 8.360 nan 0.000 0.500 970 T N 0.765 115.258 114.554 -0.101 0.000 2.767 970 T HA 0.093 4.450 4.350 0.012 0.000 0.288 970 T C 1.195 175.835 174.700 -0.100 0.000 0.963 970 T CA -0.344 61.701 62.100 -0.092 0.000 1.019 970 T CB 1.627 70.415 68.868 -0.133 0.000 0.923 970 T HN 0.072 nan 8.240 nan 0.000 0.468 971 S N 2.220 117.962 115.700 0.069 0.000 2.446 971 S HA 0.030 4.507 4.470 0.012 0.000 0.225 971 S C 0.331 175.069 174.600 0.231 0.000 1.016 971 S CA 0.392 58.735 58.200 0.239 0.000 0.943 971 S CB -0.229 63.245 63.200 0.457 0.000 0.786 971 S HN 0.742 nan 8.310 nan 0.000 0.508 972 H N 0.516 119.647 119.070 0.102 0.000 2.717 972 H HA 0.541 5.104 4.556 0.012 0.000 0.366 972 H C 0.987 176.353 175.328 0.064 0.000 1.132 972 H CA -0.745 55.427 56.048 0.207 0.000 1.180 972 H CB 1.469 31.415 29.762 0.307 0.000 1.678 972 H HN 0.162 nan 8.280 nan 0.000 0.537 973 R N 1.508 122.154 120.500 0.243 0.000 2.152 973 R HA -0.162 4.185 4.340 0.012 0.000 0.232 973 R C 1.126 177.471 176.300 0.074 0.000 1.117 973 R CA 1.808 57.971 56.100 0.105 0.000 0.981 973 R CB -0.411 29.974 30.300 0.141 0.000 0.870 973 R HN 0.768 nan 8.270 nan 0.000 0.451 974 H N 0.963 120.052 119.070 0.032 0.000 2.546 974 H HA 0.059 4.622 4.556 0.012 0.000 0.277 974 H C 1.494 176.754 175.328 -0.114 0.000 1.004 974 H CA 0.637 56.663 56.048 -0.036 0.000 1.231 974 H CB -0.115 29.626 29.762 -0.034 0.000 1.382 974 H HN 0.304 nan 8.280 nan 0.000 0.580 975 L N 0.792 121.645 121.223 -0.617 0.000 2.558 975 L HA 0.182 4.530 4.340 0.012 0.000 0.225 975 L C 0.732 177.470 176.870 -0.220 0.000 1.128 975 L CA -0.087 54.443 54.840 -0.517 0.000 0.868 975 L CB 0.068 41.841 42.059 -0.477 0.000 1.006 975 L HN 0.069 nan 8.230 nan 0.000 0.454 976 L N 1.011 122.114 121.223 -0.201 0.000 2.426 976 L HA 0.115 4.462 4.340 0.012 0.000 0.271 976 L C 0.148 177.012 176.870 -0.010 0.000 1.169 976 L CA -0.060 54.655 54.840 -0.208 0.000 0.836 976 L CB 0.378 42.090 42.059 -0.577 0.000 1.112 976 L HN 0.185 nan 8.230 nan 0.000 0.465 977 H N 2.034 121.127 119.070 0.037 0.000 2.589 977 H HA 0.551 5.114 4.556 0.012 0.000 0.351 977 H C -0.822 174.637 175.328 0.217 0.000 1.074 977 H CA -1.237 54.876 56.048 0.108 0.000 1.203 977 H CB 1.313 31.091 29.762 0.026 0.000 1.558 977 H HN 0.662 nan 8.280 nan 0.000 0.522 978 A N 4.064 126.946 122.820 0.103 0.000 2.522 978 A HA 0.090 4.417 4.320 0.012 0.000 0.256 978 A C 0.429 177.967 177.584 -0.078 0.000 1.086 978 A CA -0.134 51.800 52.037 -0.170 0.000 0.763 978 A CB -0.199 18.700 19.000 -0.168 0.000 1.024 978 A HN 0.853 nan 8.150 nan 0.000 0.502 979 E N 1.105 121.226 120.200 -0.133 0.000 2.351 979 E HA 0.201 4.558 4.350 0.012 0.000 0.255 979 E C 0.079 176.691 176.600 0.021 0.000 1.188 979 E CA -0.486 55.935 56.400 0.035 0.000 0.940 979 E CB 0.622 30.419 29.700 0.163 0.000 1.094 979 E HN 0.802 nan 8.360 nan 0.000 0.474 980 E N -0.097 120.127 120.200 0.041 0.000 2.373 980 E HA 0.268 4.625 4.350 0.012 0.000 0.267 980 E C 0.272 176.821 176.600 -0.085 0.000 1.032 980 E CA 0.533 56.924 56.400 -0.015 0.000 0.889 980 E CB 0.479 30.174 29.700 -0.009 0.000 0.984 980 E HN 0.646 nan 8.360 nan 0.000 0.425 981 G N 2.469 111.218 108.800 -0.084 0.000 2.645 981 G HA2 -0.225 3.742 3.960 0.012 0.000 0.239 981 G HA3 -0.225 3.742 3.960 0.012 0.000 0.239 981 G C -0.598 174.235 174.900 -0.112 0.000 1.331 981 G CA -0.178 44.856 45.100 -0.111 0.000 0.890 981 G HN 0.634 nan 8.290 nan 0.000 0.572 982 T N 0.336 114.809 114.554 -0.135 0.000 2.881 982 T HA 0.489 4.846 4.350 0.012 0.000 0.291 982 T C -0.747 173.825 174.700 -0.212 0.000 0.990 982 T CA -0.158 61.877 62.100 -0.108 0.000 0.976 982 T CB 1.175 70.063 68.868 0.034 0.000 0.970 982 T HN 0.559 nan 8.240 nan 0.000 0.438 983 W N 3.519 124.729 121.300 -0.150 0.000 2.311 983 W HA 0.577 5.245 4.660 0.012 0.000 0.310 983 W C -0.158 176.238 176.519 -0.205 0.000 1.274 983 W CA -0.611 56.644 57.345 -0.150 0.000 1.215 983 W CB 0.602 29.980 29.460 -0.136 0.000 1.227 983 W HN 0.381 nan 8.180 nan 0.000 0.523 984 L N 5.370 126.587 121.223 -0.011 0.000 2.346 984 L HA 0.540 4.887 4.340 0.012 0.000 0.276 984 L C -0.969 175.807 176.870 -0.156 0.000 1.006 984 L CA -0.474 54.250 54.840 -0.194 0.000 0.817 984 L CB 1.129 42.933 42.059 -0.426 0.000 1.272 984 L HN 0.310 nan 8.230 nan 0.000 0.421 985 N N 6.529 125.115 118.700 -0.189 0.000 2.491 985 N HA 0.470 5.217 4.740 0.012 0.000 0.274 985 N C -1.316 174.047 175.510 -0.244 0.000 1.023 985 N CA -0.174 52.765 53.050 -0.185 0.000 0.902 985 N CB 2.075 40.484 38.487 -0.132 0.000 1.267 985 N HN 0.559 nan 8.380 nan 0.000 0.503 986 I N 1.866 122.238 120.570 -0.330 0.000 2.355 986 I HA 0.258 4.435 4.170 0.012 0.000 0.288 986 I C -0.588 175.331 176.117 -0.330 0.000 0.999 986 I CA -0.663 60.398 61.300 -0.398 0.000 1.163 986 I CB 1.353 38.917 38.000 -0.726 0.000 1.316 986 I HN 0.140 nan 8.210 nan 0.000 0.454 987 D N 4.725 124.974 120.400 -0.251 0.000 2.256 987 D HA 0.271 4.918 4.640 0.012 0.000 0.246 987 D C 0.912 176.931 176.300 -0.468 0.000 1.042 987 D CA -0.343 53.447 54.000 -0.349 0.000 0.841 987 D CB 2.505 43.201 40.800 -0.172 0.000 1.223 987 D HN 0.676 nan 8.370 nan 0.000 0.470 988 G N 0.783 109.023 108.800 -0.935 0.000 2.453 988 G HA2 0.044 4.011 3.960 0.012 0.000 0.215 988 G HA3 0.044 4.011 3.960 0.012 0.000 0.215 988 G C 0.051 174.267 174.900 -1.139 0.000 1.147 988 G CA 0.429 44.871 45.100 -1.096 0.000 0.802 988 G HN 0.360 nan 8.290 nan 0.000 0.535 989 F N -1.923 117.840 119.950 -0.312 0.000 2.601 989 F HA 0.602 5.136 4.527 0.012 0.000 0.309 989 F C -0.576 175.121 175.800 -0.172 0.000 1.089 989 F CA -1.205 56.688 58.000 -0.179 0.000 0.940 989 F CB 2.066 40.913 39.000 -0.255 0.000 1.273 989 F HN 0.010 nan 8.300 nan 0.000 0.450 990 H N 1.682 120.759 119.070 0.012 0.000 2.894 990 H HA 0.553 5.116 4.556 0.012 0.000 0.367 990 H C -0.881 174.468 175.328 0.035 0.000 1.144 990 H CA -0.879 55.149 56.048 -0.034 0.000 1.180 990 H CB 1.942 31.668 29.762 -0.059 0.000 1.758 990 H HN 0.778 nan 8.280 nan 0.000 0.541 991 M N 3.232 122.782 119.600 -0.083 0.000 2.240 991 M HA 0.314 4.801 4.480 0.012 0.000 0.333 991 M C 0.455 176.849 176.300 0.158 0.000 1.110 991 M CA 0.157 55.470 55.300 0.022 0.000 1.173 991 M CB 0.433 32.956 32.600 -0.129 0.000 1.458 991 M HN 0.825 nan 8.290 nan 0.000 0.458 992 G N 2.928 111.804 108.800 0.126 0.000 2.664 992 G HA2 0.263 4.230 3.960 0.012 0.000 0.242 992 G HA3 0.263 4.230 3.960 0.012 0.000 0.242 992 G C 0.626 175.508 174.900 -0.029 0.000 1.225 992 G CA -0.385 44.728 45.100 0.022 0.000 0.849 992 G HN 0.981 nan 8.290 nan 0.000 0.581 993 I N -1.334 119.176 120.570 -0.100 0.000 3.228 993 I HA 0.395 4.572 4.170 0.012 0.000 0.279 993 I C 1.253 177.313 176.117 -0.094 0.000 1.221 993 I CA 0.498 61.706 61.300 -0.154 0.000 1.458 993 I CB -0.590 37.220 38.000 -0.317 0.000 1.105 993 I HN 0.937 nan 8.210 nan 0.000 0.445 994 G N 1.508 110.278 108.800 -0.051 0.000 2.598 994 G HA2 0.031 3.998 3.960 0.012 0.000 0.244 994 G HA3 0.031 3.998 3.960 0.012 0.000 0.244 994 G C 0.576 175.490 174.900 0.024 0.000 1.302 994 G CA 0.133 45.241 45.100 0.013 0.000 0.903 994 G HN 1.361 nan 8.290 nan 0.000 0.575 995 G N -2.373 106.453 108.800 0.044 0.000 2.425 995 G HA2 -0.020 3.947 3.960 0.012 0.000 0.177 995 G HA3 -0.020 3.947 3.960 0.012 0.000 0.177 995 G C 0.695 175.667 174.900 0.119 0.000 0.999 995 G CA 0.902 46.042 45.100 0.067 0.000 0.723 995 G HN 1.026 nan 8.290 nan 0.000 0.491 996 D N 1.303 121.791 120.400 0.147 0.000 2.239 996 D HA 0.094 4.741 4.640 0.012 0.000 0.202 996 D C 0.954 177.305 176.300 0.085 0.000 0.993 996 D CA 2.159 56.307 54.000 0.247 0.000 0.874 996 D CB 0.101 41.042 40.800 0.234 0.000 0.922 996 D HN 0.834 nan 8.370 nan 0.000 0.464 997 D N -3.655 116.585 120.400 -0.266 0.000 2.653 997 D HA 0.250 4.897 4.640 0.012 0.000 0.258 997 D C -0.878 174.926 176.300 -0.826 0.000 1.252 997 D CA -0.711 52.690 54.000 -0.998 0.000 0.777 997 D CB 0.749 40.529 40.800 -1.699 0.000 1.339 997 D HN -0.306 nan 8.370 nan 0.000 0.422 998 S N -0.169 114.932 115.700 -0.999 0.000 2.624 998 S HA 0.261 4.738 4.470 0.012 0.000 0.246 998 S C -0.657 173.923 174.600 -0.034 0.000 1.072 998 S CA -0.663 57.402 58.200 -0.225 0.000 1.045 998 S CB -0.519 62.798 63.200 0.196 0.000 0.851 998 S HN 0.574 nan 8.310 nan 0.000 0.480 999 W N 1.085 122.271 121.300 -0.189 0.000 1.948 999 W HA 0.591 5.258 4.660 0.011 0.000 0.300 999 W C -0.146 176.286 176.519 -0.145 0.000 0.890 999 W CA -0.703 56.511 57.345 -0.218 0.000 1.799 999 W CB -0.585 28.689 29.460 -0.311 0.000 1.073 999 W HN 0.159 nan 8.180 nan 0.000 0.499 1000 S N -1.557 114.026 115.700 -0.195 0.000 2.586 1000 S HA 0.482 4.959 4.470 0.012 0.000 0.277 1000 S C -3.203 171.333 174.600 -0.107 0.000 1.131 1000 S CA -1.386 56.737 58.200 -0.130 0.000 0.848 1000 S CB 1.338 64.474 63.200 -0.107 0.000 1.091 1000 S HN -0.190 nan 8.310 nan 0.000 0.453 1001 P HA 0.155 nan 4.420 nan 0.000 0.260 1001 P C 0.487 177.836 177.300 0.082 0.000 1.185 1001 P CA 0.169 63.288 63.100 0.032 0.000 0.763 1001 P CB 0.482 32.095 31.700 -0.145 0.000 0.776 1002 S N 0.860 116.643 115.700 0.139 0.000 2.733 1002 S HA 0.125 4.602 4.470 0.012 0.000 0.247 1002 S C 0.282 174.970 174.600 0.146 0.000 1.043 1002 S CA -0.304 57.952 58.200 0.093 0.000 1.066 1002 S CB -0.205 63.000 63.200 0.008 0.000 1.045 1002 S HN 0.116 nan 8.310 nan 0.000 0.586 1003 V N 3.082 123.122 119.914 0.210 0.000 2.439 1003 V HA 0.323 4.450 4.120 0.012 0.000 0.271 1003 V C 0.844 177.086 176.094 0.246 0.000 1.040 1003 V CA -0.188 62.221 62.300 0.182 0.000 1.002 1003 V CB 0.777 32.639 31.823 0.066 0.000 1.000 1003 V HN 0.529 nan 8.190 nan 0.000 0.477 1004 S N 4.236 120.094 115.700 0.264 0.000 2.568 1004 S HA 0.267 4.744 4.470 0.012 0.000 0.282 1004 S C 1.561 176.288 174.600 0.212 0.000 1.338 1004 S CA 0.070 58.412 58.200 0.236 0.000 1.045 1004 S CB 1.089 64.450 63.200 0.270 0.000 0.873 1004 S HN 0.990 nan 8.310 nan 0.000 0.516 1005 A N 3.524 126.426 122.820 0.136 0.000 1.917 1005 A HA -0.157 4.170 4.320 0.012 0.000 0.219 1005 A C 1.990 179.585 177.584 0.018 0.000 1.182 1005 A CA 1.899 53.999 52.037 0.105 0.000 0.633 1005 A CB -0.697 18.346 19.000 0.072 0.000 0.819 1005 A HN 0.964 nan 8.150 nan 0.000 0.448 1006 E N -1.276 118.860 120.200 -0.107 0.000 2.472 1006 E HA -0.107 4.250 4.350 0.012 0.000 0.200 1006 E C 0.355 176.683 176.600 -0.452 0.000 1.046 1006 E CA 0.651 56.869 56.400 -0.304 0.000 0.871 1006 E CB -0.332 29.091 29.700 -0.461 0.000 0.806 1006 E HN 0.603 nan 8.360 nan 0.000 0.533 1007 F N 1.009 121.005 119.950 0.076 0.000 2.683 1007 F HA 0.326 4.860 4.527 0.011 0.000 0.306 1007 F C 0.598 176.429 175.800 0.051 0.000 1.102 1007 F CA -0.426 57.620 58.000 0.076 0.000 1.244 1007 F CB 0.503 39.549 39.000 0.077 0.000 1.029 1007 F HN -0.156 nan 8.300 nan 0.000 0.545 1008 Q N 0.941 120.839 119.800 0.162 0.000 2.241 1008 Q HA 0.446 4.793 4.340 0.012 0.000 0.254 1008 Q C -0.210 175.807 176.000 0.028 0.000 0.917 1008 Q CA -0.524 55.346 55.803 0.112 0.000 0.919 1008 Q CB 1.979 30.854 28.738 0.227 0.000 1.237 1008 Q HN 0.183 nan 8.270 nan 0.000 0.434 1009 L N 2.605 123.834 121.223 0.010 0.000 2.384 1009 L HA 0.090 4.437 4.340 0.012 0.000 0.258 1009 L C 0.654 177.490 176.870 -0.057 0.000 1.266 1009 L CA -0.008 54.827 54.840 -0.008 0.000 1.162 1009 L CB -0.453 41.494 42.059 -0.186 0.000 1.375 1009 L HN 0.679 nan 8.230 nan 0.000 0.420 1010 S N -1.019 114.562 115.700 -0.199 0.000 2.578 1010 S HA 0.150 4.628 4.470 0.012 0.000 0.231 1010 S C 1.653 176.202 174.600 -0.085 0.000 0.994 1010 S CA 0.158 58.113 58.200 -0.408 0.000 0.956 1010 S CB 0.735 63.541 63.200 -0.657 0.000 0.870 1010 S HN 0.522 nan 8.310 nan 0.000 0.494 1011 A N 1.531 124.321 122.820 -0.049 0.000 2.125 1011 A HA 0.409 4.736 4.320 0.012 0.000 0.219 1011 A C 2.155 179.595 177.584 -0.241 0.000 1.156 1011 A CA 1.234 53.096 52.037 -0.291 0.000 0.671 1011 A CB -1.364 17.181 19.000 -0.758 0.000 0.794 1011 A HN 1.479 nan 8.150 nan 0.000 0.459 1012 G N -1.323 107.454 108.800 -0.038 0.000 2.458 1012 G HA2 -0.323 3.644 3.960 0.012 0.000 0.237 1012 G HA3 -0.323 3.644 3.960 0.012 0.000 0.237 1012 G C 0.476 175.388 174.900 0.021 0.000 1.113 1012 G CA 0.614 45.738 45.100 0.040 0.000 0.655 1012 G HN 0.706 nan 8.290 nan 0.000 0.513 1013 R N -0.597 119.793 120.500 -0.184 0.000 2.532 1013 R HA 0.641 4.988 4.340 0.012 0.000 0.297 1013 R C -1.591 174.488 176.300 -0.369 0.000 0.984 1013 R CA -0.594 55.438 56.100 -0.113 0.000 0.884 1013 R CB 1.484 31.748 30.300 -0.059 0.000 1.182 1013 R HN 0.227 nan 8.270 nan 0.000 0.442 1014 Y N 0.538 120.844 120.300 0.010 0.000 2.462 1014 Y HA 0.363 4.920 4.550 0.012 0.000 0.346 1014 Y C -0.273 175.797 175.900 0.283 0.000 0.976 1014 Y CA -0.792 57.294 58.100 -0.023 0.000 1.044 1014 Y CB 2.111 40.437 38.460 -0.224 0.000 1.230 1014 Y HN 0.571 nan 8.280 nan 0.000 0.455 1015 H N 2.795 122.155 119.070 0.483 0.000 2.679 1015 H HA 0.612 5.175 4.556 0.012 0.000 0.360 1015 H C -1.767 173.949 175.328 0.646 0.000 1.105 1015 H CA -0.886 55.430 56.048 0.447 0.000 1.196 1015 H CB 1.208 31.116 29.762 0.243 0.000 1.636 1015 H HN 0.548 nan 8.280 nan 0.000 0.531 1016 Y N 1.036 121.082 120.300 -0.423 0.000 2.624 1016 Y HA 0.516 5.073 4.550 0.012 0.000 0.334 1016 Y C -2.019 173.660 175.900 -0.368 0.000 1.155 1016 Y CA -1.103 56.827 58.100 -0.284 0.000 1.046 1016 Y CB 1.196 39.603 38.460 -0.088 0.000 1.316 1016 Y HN 0.679 nan 8.280 nan 0.000 0.457 1017 Q N 2.545 122.303 119.800 -0.071 0.000 2.389 1017 Q HA 0.817 5.164 4.340 0.012 0.000 0.277 1017 Q C -1.773 174.291 176.000 0.107 0.000 1.082 1017 Q CA -1.035 54.727 55.803 -0.069 0.000 0.810 1017 Q CB 3.547 32.293 28.738 0.014 0.000 1.374 1017 Q HN 0.727 nan 8.270 nan 0.000 0.422 1018 L N 1.161 122.431 121.223 0.078 0.000 2.431 1018 L HA 0.653 5.000 4.340 0.012 0.000 0.266 1018 L C -1.018 175.955 176.870 0.171 0.000 0.978 1018 L CA -1.166 53.762 54.840 0.147 0.000 0.822 1018 L CB 2.310 44.420 42.059 0.086 0.000 1.310 1018 L HN 0.339 nan 8.230 nan 0.000 0.409 1019 V N 1.661 121.701 119.914 0.210 0.000 2.384 1019 V HA 0.363 4.490 4.120 0.012 0.000 0.287 1019 V C -0.986 175.269 176.094 0.267 0.000 1.020 1019 V CA -0.364 62.064 62.300 0.213 0.000 0.850 1019 V CB 1.904 33.828 31.823 0.167 0.000 0.987 1019 V HN 0.603 nan 8.190 nan 0.000 0.436 1020 W N 7.244 128.606 121.300 0.104 0.000 2.376 1020 W HA 0.680 5.347 4.660 0.012 0.000 0.312 1020 W C -0.290 176.245 176.519 0.026 0.000 1.060 1020 W CA -1.111 56.241 57.345 0.011 0.000 1.221 1020 W CB 1.377 30.906 29.460 0.115 0.000 1.281 1020 W HN 0.816 nan 8.180 nan 0.000 0.456 1021 C N 3.426 122.969 119.300 0.405 0.000 3.291 1021 C HA 0.586 5.053 4.460 0.012 0.000 0.316 1021 C C -0.248 174.876 174.990 0.222 0.000 1.391 1021 C CA -1.031 58.166 59.018 0.299 0.000 1.394 1021 C CB 1.485 29.332 27.740 0.178 0.000 1.744 1021 C HN 0.700 nan 8.230 nan 0.000 0.461 1022 Q N 1.667 121.566 119.800 0.165 0.000 2.304 1022 Q HA 0.359 4.706 4.340 0.012 0.000 0.260 1022 Q C -0.085 175.928 176.000 0.021 0.000 0.965 1022 Q CA 0.079 55.927 55.803 0.076 0.000 0.898 1022 Q CB 0.837 29.605 28.738 0.050 0.000 1.196 1022 Q HN 0.787 nan 8.270 nan 0.000 0.402 1023 K N 0.000 120.379 120.400 -0.034 0.000 2.780 1023 K HA 0.000 4.327 4.320 0.012 0.000 0.191 1023 K CA 0.000 56.264 56.287 -0.038 0.000 0.838 1023 K CB 0.000 32.463 32.500 -0.062 0.000 1.064 1023 K HN 0.000 nan 8.250 nan 0.000 0.543