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 1jyw_1_C 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 LILCQYAHAM GNSLGGFAKY WQAFRQYPRL DATA SEQUENCE QGGFVWDWVD QSLIKYDENG NPWSAYGGDF GDTPNDRQFC MNGLVFADRT DATA SEQUENCE PHPALTEAKH QQQFFQFRLS GQTIEVTSEY LFRHSDNELL HWMVALDGKP DATA SEQUENCE LASGEVPLDV APQGKQLIEL PELPQPESAG QLWLTVRVVQ PNATAWSEAG DATA SEQUENCE HISAWQQWRL AENLSVTLPA ASHAIPHLTT SEMDFCIELG NKRWQFNRQS DATA SEQUENCE GFLSQMWIGD KKQLLTPLRD QFTRAPLDND IGVSEATRID PNAWVERWKA DATA SEQUENCE AGHYQAEAAL LQCTADTLAD AVLITTAHAW QHQGKTLFIS RKTYRIDGSG DATA SEQUENCE QMAITVDVEV ASDTPHPARI GLNCQLAQVA ERVNWLGLGP QENYPDRLTA DATA SEQUENCE ACFDRWDLPL SDMYTPYVFP SENGLRCGTR ELNYGPHQWR GDFQFNISRY DATA SEQUENCE SQQQLMETSH RHLLHAEEGT WLNIDGFHMG IGGDDSWSPS VSAEFQLSAG DATA SEQUENCE RYHYQLVWCQ K VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 13 R HA 0.000 nan 4.340 nan 0.000 0.208 13 R C 0.000 176.081 176.300 -0.365 0.000 0.893 13 R CA 0.000 55.959 56.100 -0.235 0.000 0.921 13 R CB 0.000 30.163 30.300 -0.229 0.000 0.687 14 R N 1.890 122.058 120.500 -0.554 0.000 3.184 14 R HA -0.173 4.183 4.340 0.025 0.000 0.242 14 R C -0.175 175.576 176.300 -0.915 0.000 0.907 14 R CA 0.853 56.226 56.100 -1.211 0.000 0.618 14 R CB -1.199 28.535 30.300 -0.944 0.000 1.016 14 R HN 0.263 nan 8.270 nan 0.000 0.469 15 D N -0.131 119.913 120.400 -0.594 0.000 2.263 15 D HA -0.176 4.479 4.640 0.025 0.000 0.208 15 D C 1.561 177.748 176.300 -0.187 0.000 0.971 15 D CA 1.605 55.350 54.000 -0.425 0.000 0.867 15 D CB -0.113 40.251 40.800 -0.727 0.000 0.929 15 D HN 0.735 nan 8.370 nan 0.000 0.492 16 W N 1.228 122.542 121.300 0.022 0.000 3.377 16 W HA 0.228 4.903 4.660 0.025 0.000 0.277 16 W C 0.453 177.064 176.519 0.153 0.000 1.311 16 W CA -0.331 57.132 57.345 0.197 0.000 1.703 16 W CB -0.245 29.379 29.460 0.274 0.000 1.095 16 W HN -0.194 nan 8.180 nan 0.000 0.715 17 E N 1.188 121.242 120.200 -0.243 0.000 3.157 17 E HA 0.046 4.411 4.350 0.025 0.000 0.203 17 E C -0.675 175.775 176.600 -0.250 0.000 0.982 17 E CA -0.213 56.083 56.400 -0.173 0.000 1.217 17 E CB -0.129 29.468 29.700 -0.172 0.000 1.123 17 E HN 0.031 nan 8.360 nan 0.000 0.457 18 N N 1.087 119.670 118.700 -0.194 0.000 2.594 18 N HA 0.152 4.907 4.740 0.025 0.000 0.280 18 N C -2.414 172.954 175.510 -0.237 0.000 1.156 18 N CA -1.997 50.905 53.050 -0.246 0.000 0.831 18 N CB 1.491 39.843 38.487 -0.225 0.000 1.379 18 N HN -0.193 nan 8.380 nan 0.000 0.536 19 P HA 0.103 nan 4.420 nan 0.000 0.234 19 P C 1.105 178.183 177.300 -0.371 0.000 1.167 19 P CA 0.533 63.335 63.100 -0.497 0.000 0.763 19 P CB 0.134 31.093 31.700 -1.234 0.000 0.835 20 G N -0.493 108.122 108.800 -0.308 0.000 2.650 20 G HA2 0.030 4.005 3.960 0.025 0.000 0.214 20 G HA3 0.030 4.005 3.960 0.025 0.000 0.214 20 G C 0.268 175.088 174.900 -0.133 0.000 1.136 20 G CA 0.216 45.186 45.100 -0.217 0.000 0.789 20 G HN 0.214 nan 8.290 nan 0.000 0.536 21 V N 1.522 121.373 119.914 -0.105 0.000 2.349 21 V HA 0.306 4.442 4.120 0.025 0.000 0.284 21 V C 0.793 176.938 176.094 0.085 0.000 1.014 21 V CA 0.098 62.386 62.300 -0.021 0.000 0.826 21 V CB 1.365 33.151 31.823 -0.062 0.000 1.009 21 V HN 0.322 nan 8.190 nan 0.000 0.431 22 T N 0.744 115.347 114.554 0.081 0.000 3.054 22 T HA 0.366 4.731 4.350 0.025 0.000 0.255 22 T C 0.203 174.959 174.700 0.092 0.000 1.035 22 T CA -0.008 62.151 62.100 0.099 0.000 0.941 22 T CB 0.270 69.148 68.868 0.017 0.000 1.026 22 T HN 0.688 nan 8.240 nan 0.000 0.533 23 Q N 0.307 120.205 119.800 0.163 0.000 2.647 23 Q HA 0.669 5.025 4.340 0.025 0.000 0.283 23 Q C -2.279 173.856 176.000 0.226 0.000 0.943 23 Q CA -1.038 54.852 55.803 0.146 0.000 0.813 23 Q CB 0.887 29.629 28.738 0.006 0.000 1.477 23 Q HN 0.222 nan 8.270 nan 0.000 0.393 24 L N 2.026 123.412 121.223 0.270 0.000 2.438 24 L HA 0.606 4.962 4.340 0.025 0.000 0.270 24 L C -0.608 176.391 176.870 0.215 0.000 0.972 24 L CA -0.884 54.120 54.840 0.275 0.000 0.831 24 L CB 1.902 44.246 42.059 0.476 0.000 1.273 24 L HN 0.865 nan 8.230 nan 0.000 0.405 25 N N 0.900 119.694 118.700 0.157 0.000 2.782 25 N HA -0.201 4.554 4.740 0.025 0.000 0.251 25 N C 0.120 175.712 175.510 0.137 0.000 1.101 25 N CA 0.790 53.922 53.050 0.136 0.000 0.764 25 N CB -0.790 37.734 38.487 0.062 0.000 1.122 25 N HN 0.657 nan 8.380 nan 0.000 0.561 26 R N 0.791 121.287 120.500 -0.006 0.000 2.441 26 R HA 0.459 4.814 4.340 0.025 0.000 0.284 26 R C 0.488 176.661 176.300 -0.213 0.000 1.070 26 R CA -0.398 55.499 56.100 -0.339 0.000 1.047 26 R CB 0.605 30.695 30.300 -0.350 0.000 1.016 26 R HN 0.116 nan 8.270 nan 0.000 0.477 27 L N 2.796 123.865 121.223 -0.257 0.000 2.456 27 L HA 0.360 4.715 4.340 0.025 0.000 0.257 27 L C 0.629 177.452 176.870 -0.078 0.000 1.162 27 L CA -0.676 54.102 54.840 -0.102 0.000 0.808 27 L CB 0.900 42.931 42.059 -0.046 0.000 1.136 27 L HN 0.763 nan 8.230 nan 0.000 0.466 28 A N 1.219 124.035 122.820 -0.008 0.000 2.507 28 A HA 0.474 4.810 4.320 0.025 0.000 0.235 28 A C 0.308 177.899 177.584 0.011 0.000 1.070 28 A CA 0.090 52.129 52.037 0.004 0.000 0.768 28 A CB 0.110 19.138 19.000 0.047 0.000 1.011 28 A HN 0.797 nan 8.150 nan 0.000 0.502 29 A N 1.156 123.936 122.820 -0.066 0.000 2.313 29 A HA 0.715 5.051 4.320 0.025 0.000 0.261 29 A C 0.070 177.562 177.584 -0.154 0.000 1.090 29 A CA 0.458 52.377 52.037 -0.198 0.000 0.807 29 A CB 0.020 18.906 19.000 -0.191 0.000 1.055 29 A HN 2.025 nan 8.150 nan 0.000 0.492 30 H N -2.715 116.205 119.070 -0.250 0.000 2.935 30 H HA 0.597 5.168 4.556 0.025 0.000 0.297 30 H C -3.458 171.587 175.328 -0.472 0.000 1.423 30 H CA -1.646 54.193 56.048 -0.349 0.000 1.161 30 H CB 0.000 29.454 29.762 -0.513 0.000 1.841 30 H HN 0.379 nan 8.280 nan 0.000 0.506 31 P HA 0.236 nan 4.420 nan 0.000 0.274 31 P C -2.595 174.547 177.300 -0.263 0.000 1.256 31 P CA -1.438 61.460 63.100 -0.337 0.000 0.795 31 P CB -0.143 31.274 31.700 -0.471 0.000 1.038 32 P HA 0.035 nan 4.420 nan 0.000 0.261 32 P C -0.831 176.667 177.300 0.330 0.000 1.183 32 P CA 1.169 64.309 63.100 0.067 0.000 0.761 32 P CB -0.161 31.610 31.700 0.119 0.000 0.785 33 F N 1.384 121.439 119.950 0.176 0.000 2.579 33 F HA 0.619 5.162 4.527 0.025 0.000 0.324 33 F C 0.948 176.684 175.800 -0.107 0.000 1.058 33 F CA -1.063 56.984 58.000 0.079 0.000 0.944 33 F CB 2.229 41.234 39.000 0.008 0.000 1.245 33 F HN 0.201 nan 8.300 nan 0.000 0.477 34 A N 0.277 123.031 122.820 -0.110 0.000 2.664 34 A HA 0.246 4.581 4.320 0.025 0.000 0.222 34 A C 0.557 177.851 177.584 -0.484 0.000 1.320 34 A CA 0.414 52.156 52.037 -0.491 0.000 1.029 34 A CB -0.090 18.170 19.000 -1.234 0.000 1.318 34 A HN 0.754 nan 8.150 nan 0.000 0.589 35 S N 0.575 116.100 115.700 -0.292 0.000 3.524 35 S HA -0.148 4.337 4.470 0.025 0.000 0.377 35 S C 0.008 174.539 174.600 -0.115 0.000 0.949 35 S CA 0.425 58.515 58.200 -0.184 0.000 1.264 35 S CB -1.562 61.532 63.200 -0.177 0.000 0.918 35 S HN 0.465 nan 8.310 nan 0.000 0.517 36 W N 1.965 123.250 121.300 -0.025 0.000 2.158 36 W HA 0.212 4.887 4.660 0.025 0.000 0.339 36 W C 1.400 177.902 176.519 -0.028 0.000 1.294 36 W CA -0.537 56.799 57.345 -0.016 0.000 1.231 36 W CB 0.230 29.681 29.460 -0.015 0.000 1.143 36 W HN 0.365 nan 8.180 nan 0.000 0.571 37 R N 1.809 122.438 120.500 0.215 0.000 2.509 37 R HA 0.079 4.434 4.340 0.025 0.000 0.300 37 R C 0.005 176.365 176.300 0.100 0.000 0.985 37 R CA -0.077 56.091 56.100 0.115 0.000 1.092 37 R CB -0.110 30.224 30.300 0.057 0.000 1.237 37 R HN 0.373 nan 8.270 nan 0.000 0.546 38 N N 0.113 118.888 118.700 0.126 0.000 2.454 38 N HA 0.114 4.869 4.740 0.025 0.000 0.291 38 N C -0.205 175.285 175.510 -0.034 0.000 1.079 38 N CA -0.030 53.043 53.050 0.039 0.000 0.893 38 N CB 1.932 40.444 38.487 0.042 0.000 1.512 38 N HN -0.261 nan 8.380 nan 0.000 0.497 39 S N 2.294 117.952 115.700 -0.071 0.000 2.402 39 S HA -0.139 4.346 4.470 0.025 0.000 0.229 39 S C 1.405 175.849 174.600 -0.261 0.000 1.021 39 S CA 0.932 59.049 58.200 -0.139 0.000 0.974 39 S CB -0.006 63.143 63.200 -0.084 0.000 0.800 39 S HN 0.758 nan 8.310 nan 0.000 0.484 40 E N 1.949 122.013 120.200 -0.226 0.000 2.110 40 E HA -0.167 4.198 4.350 0.025 0.000 0.193 40 E C 1.740 178.119 176.600 -0.367 0.000 0.988 40 E CA 1.431 57.655 56.400 -0.294 0.000 0.804 40 E CB -0.249 29.334 29.700 -0.194 0.000 0.745 40 E HN 0.592 nan 8.360 nan 0.000 0.458 41 E N -0.092 119.903 120.200 -0.342 0.000 2.077 41 E HA -0.187 4.178 4.350 0.025 0.000 0.193 41 E C 2.054 178.044 176.600 -1.017 0.000 0.989 41 E CA 1.090 57.224 56.400 -0.443 0.000 0.800 41 E CB -0.254 29.336 29.700 -0.184 0.000 0.746 41 E HN 0.404 nan 8.360 nan 0.000 0.452 42 A N 1.454 123.476 122.820 -1.331 0.000 1.930 42 A HA -0.191 4.144 4.320 0.025 0.000 0.217 42 A C 2.095 179.087 177.584 -0.988 0.000 1.175 42 A CA 1.387 52.304 52.037 -1.867 0.000 0.627 42 A CB -0.421 17.996 19.000 -0.972 0.000 0.815 42 A HN 0.078 nan 8.150 nan 0.000 0.443 43 R N -0.146 119.950 120.500 -0.674 0.000 2.081 43 R HA -0.126 4.229 4.340 0.025 0.000 0.235 43 R C 1.771 177.802 176.300 -0.448 0.000 1.131 43 R CA 2.010 57.766 56.100 -0.574 0.000 0.960 43 R CB -0.369 29.462 30.300 -0.780 0.000 0.856 43 R HN 0.608 nan 8.270 nan 0.000 0.436 44 T N -2.686 111.617 114.554 -0.419 0.000 3.122 44 T HA 0.090 4.455 4.350 0.025 0.000 0.250 44 T C 0.128 174.731 174.700 -0.161 0.000 1.067 44 T CA 0.363 62.310 62.100 -0.255 0.000 0.966 44 T CB 0.178 68.927 68.868 -0.198 0.000 1.002 44 T HN 0.328 nan 8.240 nan 0.000 0.542 45 D N 0.857 121.122 120.400 -0.223 0.000 2.870 45 D HA -0.157 4.498 4.640 0.025 0.000 0.228 45 D C 0.006 176.429 176.300 0.205 0.000 1.147 45 D CA 0.426 54.460 54.000 0.057 0.000 0.757 45 D CB -1.213 39.660 40.800 0.122 0.000 1.091 45 D HN 0.581 nan 8.370 nan 0.000 0.429 46 R N 0.165 120.748 120.500 0.138 0.000 2.615 46 R HA 0.495 4.850 4.340 0.025 0.000 0.270 46 R C -2.088 174.466 176.300 0.423 0.000 1.081 46 R CA -1.322 54.903 56.100 0.209 0.000 1.154 46 R CB 0.319 30.680 30.300 0.102 0.000 1.063 46 R HN 0.050 nan 8.270 nan 0.000 0.519 47 P HA -0.071 nan 4.420 nan 0.000 0.265 47 P C -0.855 176.609 177.300 0.273 0.000 1.187 47 P CA 0.386 63.627 63.100 0.235 0.000 0.766 47 P CB 0.752 32.541 31.700 0.149 0.000 0.820 48 S N 1.795 117.548 115.700 0.088 0.000 2.462 48 S HA 0.103 4.588 4.470 0.025 0.000 0.294 48 S C 1.112 175.729 174.600 0.029 0.000 1.144 48 S CA -0.599 57.575 58.200 -0.044 0.000 1.088 48 S CB 0.391 63.250 63.200 -0.567 0.000 1.009 48 S HN 0.265 nan 8.310 nan 0.000 0.484 49 Q N 3.064 122.917 119.800 0.088 0.000 2.364 49 Q HA -0.103 4.252 4.340 0.025 0.000 0.209 49 Q C 0.897 177.018 176.000 0.202 0.000 0.977 49 Q CA 1.123 57.010 55.803 0.140 0.000 0.885 49 Q CB -0.150 28.674 28.738 0.145 0.000 0.941 49 Q HN 0.709 nan 8.270 nan 0.000 0.464 50 Q N 0.072 119.910 119.800 0.064 0.000 2.403 50 Q HA 0.107 4.463 4.340 0.025 0.000 0.203 50 Q C -0.183 175.879 176.000 0.102 0.000 0.932 50 Q CA 0.220 56.015 55.803 -0.013 0.000 0.945 50 Q CB 0.396 29.040 28.738 -0.158 0.000 1.045 50 Q HN 0.088 nan 8.270 nan 0.000 0.511 51 L N 0.641 121.929 121.223 0.109 0.000 2.353 51 L HA 0.424 4.779 4.340 0.025 0.000 0.270 51 L C -1.210 175.742 176.870 0.136 0.000 1.003 51 L CA -0.337 54.563 54.840 0.101 0.000 0.862 51 L CB 1.000 43.031 42.059 -0.047 0.000 1.221 51 L HN -0.144 nan 8.230 nan 0.000 0.430 52 R N 2.433 123.046 120.500 0.190 0.000 2.532 52 R HA 0.589 4.944 4.340 0.025 0.000 0.295 52 R C -0.539 175.780 176.300 0.031 0.000 0.968 52 R CA -0.652 55.504 56.100 0.093 0.000 0.916 52 R CB 2.006 32.318 30.300 0.020 0.000 1.124 52 R HN 0.656 nan 8.270 nan 0.000 0.463 53 S N 2.238 117.946 115.700 0.013 0.000 2.508 53 S HA 0.293 4.779 4.470 0.025 0.000 0.284 53 S C 0.624 175.216 174.600 -0.013 0.000 1.192 53 S CA -0.648 57.552 58.200 -0.000 0.000 1.070 53 S CB 0.605 63.817 63.200 0.020 0.000 1.004 53 S HN 0.561 nan 8.310 nan 0.000 0.493 54 L N 3.479 124.693 121.223 -0.016 0.000 2.769 54 L HA 0.296 4.652 4.340 0.025 0.000 0.240 54 L C 0.215 177.223 176.870 0.230 0.000 1.163 54 L CA -0.372 54.477 54.840 0.015 0.000 0.962 54 L CB -0.290 41.714 42.059 -0.093 0.000 1.258 54 L HN 0.516 nan 8.230 nan 0.000 0.513 55 N N 1.249 120.034 118.700 0.143 0.000 2.415 55 N HA 0.442 5.197 4.740 0.025 0.000 0.248 55 N C 0.694 176.332 175.510 0.215 0.000 1.271 55 N CA 1.084 54.232 53.050 0.162 0.000 0.913 55 N CB 1.085 39.602 38.487 0.051 0.000 1.129 55 N HN 0.290 nan 8.380 nan 0.000 0.444 56 G N 0.229 109.170 108.800 0.235 0.000 2.236 56 G HA2 -0.095 3.881 3.960 0.025 0.000 0.231 56 G HA3 -0.095 3.881 3.960 0.025 0.000 0.231 56 G C -1.512 173.594 174.900 0.343 0.000 1.334 56 G CA -0.780 44.451 45.100 0.218 0.000 1.137 56 G HN 0.476 nan 8.290 nan 0.000 0.482 57 E N 0.033 120.402 120.200 0.282 0.000 2.200 57 E HA 0.486 4.851 4.350 0.025 0.000 0.283 57 E C -0.959 175.876 176.600 0.392 0.000 1.015 57 E CA -0.250 56.334 56.400 0.308 0.000 0.819 57 E CB 1.082 30.884 29.700 0.169 0.000 1.081 57 E HN 0.363 nan 8.360 nan 0.000 0.397 58 W N 1.611 123.000 121.300 0.149 0.000 2.894 58 W HA 0.413 5.088 4.660 0.026 0.000 0.345 58 W C 0.123 176.771 176.519 0.215 0.000 1.152 58 W CA -0.759 56.706 57.345 0.200 0.000 1.089 58 W CB 0.760 30.397 29.460 0.295 0.000 1.454 58 W HN 0.179 nan 8.180 nan 0.000 0.589 59 R N 1.500 122.284 120.500 0.474 0.000 2.368 59 R HA 0.580 4.935 4.340 0.025 0.000 0.302 59 R C -1.471 175.085 176.300 0.427 0.000 1.002 59 R CA -0.875 55.440 56.100 0.358 0.000 0.929 59 R CB 1.088 31.545 30.300 0.262 0.000 1.073 59 R HN 0.490 nan 8.270 nan 0.000 0.464 60 F N 0.520 120.510 119.950 0.067 0.000 2.596 60 F HA 0.610 5.152 4.527 0.025 0.000 0.311 60 F C -1.560 174.072 175.800 -0.281 0.000 1.116 60 F CA -0.582 57.307 58.000 -0.185 0.000 0.957 60 F CB 1.900 40.699 39.000 -0.335 0.000 1.250 60 F HN 0.612 nan 8.300 nan 0.000 0.444 61 A N 4.678 126.746 122.820 -1.253 0.000 2.414 61 A HA 0.609 4.944 4.320 0.025 0.000 0.306 61 A C -2.339 174.239 177.584 -1.678 0.000 1.054 61 A CA -0.556 50.794 52.037 -1.146 0.000 0.724 61 A CB 0.824 19.412 19.000 -0.687 0.000 1.267 61 A HN 0.948 nan 8.150 nan 0.000 0.418 62 W N 2.349 122.724 121.300 -1.542 0.000 2.496 62 W HA 0.746 5.421 4.660 0.025 0.000 0.327 62 W C -1.682 174.125 176.519 -1.186 0.000 1.086 62 W CA -0.276 56.313 57.345 -1.260 0.000 1.222 62 W CB 1.084 30.113 29.460 -0.719 0.000 1.304 62 W HN 0.517 nan 8.180 nan 0.000 0.547 63 F N 5.279 124.584 119.950 -1.076 0.000 2.613 63 F HA 0.375 4.917 4.527 0.025 0.000 0.314 63 F C -1.343 173.577 175.800 -1.467 0.000 1.075 63 F CA -1.988 55.494 58.000 -0.864 0.000 0.945 63 F CB 2.088 40.709 39.000 -0.632 0.000 1.310 63 F HN 0.190 nan 8.300 nan 0.000 0.467 64 P HA 0.173 nan 4.420 nan 0.000 0.240 64 P C -0.484 176.663 177.300 -0.254 0.000 1.190 64 P CA 0.702 63.505 63.100 -0.494 0.000 0.781 64 P CB 0.875 32.590 31.700 0.024 0.000 0.931 65 A N -0.154 122.533 122.820 -0.222 0.000 2.608 65 A HA 0.521 4.857 4.320 0.025 0.000 0.292 65 A C -2.454 175.014 177.584 -0.193 0.000 1.066 65 A CA -0.993 50.962 52.037 -0.137 0.000 0.676 65 A CB 0.503 19.488 19.000 -0.025 0.000 1.277 65 A HN -0.296 nan 8.150 nan 0.000 0.413 66 P HA -0.097 nan 4.420 nan 0.000 0.220 66 P C 0.719 177.920 177.300 -0.166 0.000 1.148 66 P CA 1.391 64.353 63.100 -0.230 0.000 0.803 66 P CB 0.278 31.802 31.700 -0.294 0.000 0.782 67 E N 0.054 120.210 120.200 -0.073 0.000 2.338 67 E HA -0.047 4.318 4.350 0.025 0.000 0.197 67 E C 2.002 178.521 176.600 -0.135 0.000 1.007 67 E CA 1.131 57.498 56.400 -0.055 0.000 0.849 67 E CB -0.795 28.907 29.700 0.003 0.000 0.774 67 E HN 0.236 nan 8.360 nan 0.000 0.506 68 A N 0.175 122.873 122.820 -0.204 0.000 2.218 68 A HA 0.106 4.441 4.320 0.025 0.000 0.209 68 A C 0.691 177.915 177.584 -0.600 0.000 1.168 68 A CA -0.133 51.753 52.037 -0.251 0.000 0.804 68 A CB 0.347 19.289 19.000 -0.097 0.000 0.834 68 A HN 0.030 nan 8.150 nan 0.000 0.482 69 V N 2.853 122.319 119.914 -0.747 0.000 2.508 69 V HA 0.210 4.345 4.120 0.025 0.000 0.281 69 V C -2.206 173.523 176.094 -0.608 0.000 1.041 69 V CA -1.391 60.219 62.300 -1.149 0.000 1.016 69 V CB 0.806 32.079 31.823 -0.916 0.000 0.984 69 V HN 0.288 nan 8.190 nan 0.000 0.478 70 P HA 0.276 nan 4.420 nan 0.000 0.279 70 P C 0.296 177.531 177.300 -0.109 0.000 1.239 70 P CA -0.424 62.548 63.100 -0.212 0.000 0.789 70 P CB 1.075 32.707 31.700 -0.113 0.000 0.933 71 E N 0.971 121.124 120.200 -0.079 0.000 2.209 71 E HA -0.161 4.204 4.350 0.025 0.000 0.196 71 E C 1.850 178.429 176.600 -0.035 0.000 0.993 71 E CA 1.643 58.008 56.400 -0.058 0.000 0.819 71 E CB -0.844 28.823 29.700 -0.055 0.000 0.745 71 E HN 0.557 nan 8.360 nan 0.000 0.477 72 S N -0.492 115.203 115.700 -0.008 0.000 2.419 72 S HA -0.212 4.273 4.470 0.025 0.000 0.235 72 S C 1.869 176.485 174.600 0.026 0.000 1.019 72 S CA 0.928 59.130 58.200 0.003 0.000 0.982 72 S CB -0.789 62.424 63.200 0.022 0.000 0.789 72 S HN 0.535 nan 8.310 nan 0.000 0.490 73 W N 2.290 123.500 121.300 -0.150 0.000 2.392 73 W HA 0.072 4.747 4.660 0.025 0.000 0.279 73 W C 1.639 178.050 176.519 -0.180 0.000 1.225 73 W CA 0.749 58.007 57.345 -0.144 0.000 1.233 73 W CB -0.326 29.024 29.460 -0.184 0.000 1.122 73 W HN 0.260 nan 8.180 nan 0.000 0.561 74 L N 0.266 121.259 121.223 -0.384 0.000 2.141 74 L HA -0.161 4.194 4.340 0.025 0.000 0.209 74 L C 2.227 178.849 176.870 -0.414 0.000 1.094 74 L CA 1.730 56.184 54.840 -0.643 0.000 0.763 74 L CB -0.669 41.073 42.059 -0.528 0.000 0.908 74 L HN -0.028 nan 8.230 nan 0.000 0.437 75 E N -0.979 119.072 120.200 -0.248 0.000 2.201 75 E HA -0.014 4.351 4.350 0.025 0.000 0.193 75 E C 0.309 176.830 176.600 -0.131 0.000 0.957 75 E CA 0.279 56.589 56.400 -0.150 0.000 0.858 75 E CB 0.554 30.202 29.700 -0.087 0.000 0.816 75 E HN 0.497 nan 8.360 nan 0.000 0.475 76 C N -0.457 118.771 119.300 -0.119 0.000 3.090 76 C HA 0.609 5.084 4.460 0.025 0.000 0.305 76 C C -0.290 174.683 174.990 -0.029 0.000 1.292 76 C CA -1.440 57.535 59.018 -0.071 0.000 1.482 76 C CB 0.978 28.698 27.740 -0.033 0.000 1.897 76 C HN 0.236 nan 8.230 nan 0.000 0.469 77 D N 0.909 121.310 120.400 0.002 0.000 2.472 77 D HA 0.285 4.940 4.640 0.025 0.000 0.237 77 D C -0.287 176.084 176.300 0.119 0.000 1.141 77 D CA 0.397 54.441 54.000 0.074 0.000 0.875 77 D CB 0.512 41.347 40.800 0.060 0.000 1.192 77 D HN 0.614 nan 8.370 nan 0.000 0.450 78 L N 5.704 127.044 121.223 0.194 0.000 2.290 78 L HA 0.249 4.604 4.340 0.025 0.000 0.284 78 L C -1.237 175.693 176.870 0.100 0.000 1.078 78 L CA -1.514 53.420 54.840 0.157 0.000 0.815 78 L CB 1.303 43.468 42.059 0.176 0.000 1.162 78 L HN 0.521 nan 8.230 nan 0.000 0.435 79 P HA -0.175 nan 4.420 nan 0.000 0.218 79 P C 0.703 178.032 177.300 0.048 0.000 1.148 79 P CA 1.122 64.255 63.100 0.054 0.000 0.822 79 P CB 0.227 31.952 31.700 0.042 0.000 0.784 80 E N -0.228 119.997 120.200 0.043 0.000 2.418 80 E HA 0.122 4.487 4.350 0.025 0.000 0.197 80 E C 1.095 177.704 176.600 0.015 0.000 1.026 80 E CA 0.216 56.630 56.400 0.023 0.000 0.862 80 E CB -0.784 28.919 29.700 0.005 0.000 0.799 80 E HN 0.210 nan 8.360 nan 0.000 0.518 81 A N 1.267 124.106 122.820 0.031 0.000 2.429 81 A HA 0.117 4.452 4.320 0.025 0.000 0.242 81 A C 0.019 177.652 177.584 0.082 0.000 1.088 81 A CA -0.156 51.899 52.037 0.030 0.000 0.784 81 A CB 0.287 19.332 19.000 0.074 0.000 1.038 81 A HN -0.038 nan 8.150 nan 0.000 0.501 82 D N -0.497 119.985 120.400 0.136 0.000 2.384 82 D HA 0.524 5.179 4.640 0.025 0.000 0.250 82 D C -0.518 175.895 176.300 0.188 0.000 1.029 82 D CA 0.024 54.126 54.000 0.169 0.000 0.990 82 D CB 1.351 42.306 40.800 0.257 0.000 1.175 82 D HN 0.407 nan 8.370 nan 0.000 0.532 83 T N 0.453 115.099 114.554 0.153 0.000 2.767 83 T HA 0.527 4.892 4.350 0.025 0.000 0.288 83 T C 0.091 174.884 174.700 0.154 0.000 0.963 83 T CA -0.546 61.654 62.100 0.166 0.000 1.019 83 T CB 0.778 69.718 68.868 0.121 0.000 0.923 83 T HN 0.265 nan 8.240 nan 0.000 0.468 84 V N 0.990 121.027 119.914 0.205 0.000 3.130 84 V HA 0.785 4.920 4.120 0.025 0.000 0.310 84 V C -0.324 175.886 176.094 0.194 0.000 1.158 84 V CA -1.074 61.301 62.300 0.125 0.000 1.029 84 V CB 1.611 33.522 31.823 0.147 0.000 1.057 84 V HN 0.531 nan 8.190 nan 0.000 0.436 85 V N 1.790 121.792 119.914 0.146 0.000 2.649 85 V HA 0.524 4.659 4.120 0.025 0.000 0.292 85 V C 0.000 176.182 176.094 0.145 0.000 1.055 85 V CA -0.012 62.382 62.300 0.157 0.000 1.023 85 V CB 1.480 33.362 31.823 0.098 0.000 0.992 85 V HN 0.757 nan 8.190 nan 0.000 0.480 86 V N 6.858 126.778 119.914 0.011 0.000 2.588 86 V HA 0.453 4.588 4.120 0.025 0.000 0.304 86 V C -2.318 173.668 176.094 -0.180 0.000 1.042 86 V CA -1.703 60.458 62.300 -0.231 0.000 0.877 86 V CB 2.514 33.827 31.823 -0.851 0.000 0.996 86 V HN 0.765 nan 8.190 nan 0.000 0.425 87 P HA 0.422 nan 4.420 nan 0.000 0.274 87 P C -0.819 176.415 177.300 -0.109 0.000 1.231 87 P CA -0.059 62.922 63.100 -0.198 0.000 0.790 87 P CB 1.249 32.843 31.700 -0.176 0.000 0.951 88 S N 0.531 116.175 115.700 -0.094 0.000 2.595 88 S HA 0.411 4.897 4.470 0.025 0.000 0.270 88 S C -1.230 173.305 174.600 -0.108 0.000 1.145 88 S CA -1.044 57.088 58.200 -0.113 0.000 0.825 88 S CB 0.553 63.622 63.200 -0.218 0.000 1.107 88 S HN 0.345 nan 8.310 nan 0.000 0.461 89 N N 0.939 119.514 118.700 -0.208 0.000 2.408 89 N HA 0.431 5.186 4.740 0.025 0.000 0.280 89 N C 0.486 175.827 175.510 -0.281 0.000 1.002 89 N CA -0.859 52.044 53.050 -0.245 0.000 0.907 89 N CB 0.717 39.032 38.487 -0.288 0.000 1.161 89 N HN 0.866 nan 8.380 nan 0.000 0.488 90 W N 2.467 123.625 121.300 -0.238 0.000 2.421 90 W HA -0.059 4.617 4.660 0.026 0.000 0.270 90 W C 1.001 177.485 176.519 -0.059 0.000 1.233 90 W CA 0.599 57.801 57.345 -0.239 0.000 1.226 90 W CB -0.322 29.019 29.460 -0.198 0.000 1.121 90 W HN 0.507 nan 8.180 nan 0.000 0.579 91 Q N 0.563 120.345 119.800 -0.030 0.000 2.170 91 Q HA -0.143 4.212 4.340 0.025 0.000 0.203 91 Q C 2.174 178.118 176.000 -0.093 0.000 0.976 91 Q CA 1.971 57.744 55.803 -0.050 0.000 0.858 91 Q CB -0.595 27.993 28.738 -0.250 0.000 0.907 91 Q HN 0.260 nan 8.270 nan 0.000 0.433 92 M N -0.767 118.739 119.600 -0.156 0.000 2.557 92 M HA -0.057 4.439 4.480 0.025 0.000 0.259 92 M C 0.685 177.045 176.300 0.099 0.000 1.086 92 M CA 1.384 56.623 55.300 -0.103 0.000 1.096 92 M CB -0.621 31.899 32.600 -0.133 0.000 1.424 92 M HN 0.383 nan 8.290 nan 0.000 0.488 93 H N -0.965 118.124 119.070 0.031 0.000 2.551 93 H HA 0.297 4.868 4.556 0.026 0.000 0.271 93 H C 1.301 176.518 175.328 -0.184 0.000 0.984 93 H CA 0.108 56.151 56.048 -0.007 0.000 1.164 93 H CB 0.422 30.276 29.762 0.153 0.000 1.437 93 H HN 0.549 nan 8.280 nan 0.000 0.550 94 G N 0.591 109.391 108.800 -0.000 0.000 2.157 94 G HA2 -0.364 3.612 3.960 0.025 0.000 0.248 94 G HA3 -0.364 3.612 3.960 0.025 0.000 0.248 94 G C 0.398 175.166 174.900 -0.221 0.000 0.979 94 G CA 0.319 45.346 45.100 -0.122 0.000 0.650 94 G HN 0.476 nan 8.290 nan 0.000 0.529 95 Y N 1.585 121.883 120.300 -0.002 0.000 2.373 95 Y HA 0.278 4.844 4.550 0.025 0.000 0.293 95 Y C 1.631 177.272 175.900 -0.432 0.000 1.129 95 Y CA 1.463 59.433 58.100 -0.217 0.000 1.226 95 Y CB 0.247 38.635 38.460 -0.120 0.000 1.000 95 Y HN 0.642 nan 8.280 nan 0.000 0.549 96 D N -1.869 118.584 120.400 0.089 0.000 2.665 96 D HA 0.470 5.125 4.640 0.025 0.000 0.287 96 D C -1.223 175.156 176.300 0.133 0.000 1.266 96 D CA -0.875 53.178 54.000 0.088 0.000 0.830 96 D CB 0.732 41.714 40.800 0.304 0.000 1.356 96 D HN -0.073 nan 8.370 nan 0.000 0.437 97 A N 0.183 123.091 122.820 0.148 0.000 2.331 97 A HA 0.688 5.023 4.320 0.025 0.000 0.283 97 A C -2.284 175.328 177.584 0.046 0.000 1.142 97 A CA -1.128 50.973 52.037 0.107 0.000 0.812 97 A CB 0.091 19.222 19.000 0.219 0.000 1.074 97 A HN 0.545 nan 8.150 nan 0.000 0.497 98 P HA 0.434 nan 4.420 nan 0.000 0.277 98 P C -0.887 176.576 177.300 0.272 0.000 1.240 98 P CA 0.017 63.060 63.100 -0.094 0.000 0.798 98 P CB 0.859 32.248 31.700 -0.519 0.000 0.979 99 I N 2.010 122.841 120.570 0.435 0.000 2.465 99 I HA 0.255 4.440 4.170 0.025 0.000 0.291 99 I C -0.625 175.675 176.117 0.305 0.000 1.014 99 I CA -0.980 60.564 61.300 0.406 0.000 1.093 99 I CB 1.719 39.894 38.000 0.292 0.000 1.267 99 I HN 0.293 nan 8.210 nan 0.000 0.431 100 Y N 6.124 126.335 120.300 -0.149 0.000 2.478 100 Y HA 0.528 5.093 4.550 0.025 0.000 0.329 100 Y C -0.392 175.341 175.900 -0.280 0.000 0.967 100 Y CA -0.642 57.090 58.100 -0.614 0.000 1.255 100 Y CB 1.187 38.823 38.460 -1.373 0.000 1.103 100 Y HN 0.529 nan 8.280 nan 0.000 0.497 101 T N 5.316 119.375 114.554 -0.824 0.000 2.876 101 T HA 0.265 4.630 4.350 0.025 0.000 0.289 101 T C 0.231 174.462 174.700 -0.782 0.000 1.014 101 T CA -0.586 61.056 62.100 -0.763 0.000 0.986 101 T CB 1.076 69.729 68.868 -0.357 0.000 1.021 101 T HN 0.763 nan 8.240 nan 0.000 0.458 102 N N 2.872 121.140 118.700 -0.719 0.000 2.202 102 N HA 0.033 4.788 4.740 0.025 0.000 0.191 102 N C 1.551 176.797 175.510 -0.441 0.000 1.054 102 N CA 1.628 54.398 53.050 -0.467 0.000 0.877 102 N CB -0.628 37.602 38.487 -0.429 0.000 1.057 102 N HN 0.402 nan 8.380 nan 0.000 0.456 103 V N 0.257 119.845 119.914 -0.544 0.000 2.492 103 V HA 0.115 4.250 4.120 0.025 0.000 0.241 103 V C 0.442 176.238 176.094 -0.496 0.000 1.041 103 V CA 0.823 62.729 62.300 -0.658 0.000 1.057 103 V CB -0.718 30.604 31.823 -0.835 0.000 0.711 103 V HN 0.317 nan 8.190 nan 0.000 0.468 104 T N 1.090 115.418 114.554 -0.376 0.000 2.908 104 T HA 0.121 4.486 4.350 0.025 0.000 0.301 104 T C -0.329 174.254 174.700 -0.194 0.000 1.019 104 T CA 0.310 62.268 62.100 -0.236 0.000 1.152 104 T CB -0.213 68.543 68.868 -0.187 0.000 0.966 104 T HN 0.180 nan 8.240 nan 0.000 0.540 105 Y N 4.669 124.876 120.300 -0.155 0.000 2.550 105 Y HA 0.116 4.681 4.550 0.025 0.000 0.343 105 Y C -0.682 175.097 175.900 -0.201 0.000 1.245 105 Y CA -1.621 56.380 58.100 -0.166 0.000 1.462 105 Y CB 0.468 38.830 38.460 -0.163 0.000 1.340 105 Y HN 0.515 nan 8.280 nan 0.000 0.604 106 P HA -0.017 nan 4.420 nan 0.000 0.242 106 P C -0.356 176.724 177.300 -0.367 0.000 1.197 106 P CA 1.136 64.135 63.100 -0.168 0.000 0.765 106 P CB 0.028 31.669 31.700 -0.097 0.000 0.936 107 I N -5.150 115.177 120.570 -0.406 0.000 2.934 107 I HA 0.481 4.666 4.170 0.025 0.000 0.306 107 I C -0.579 175.403 176.117 -0.226 0.000 1.110 107 I CA -1.214 59.818 61.300 -0.448 0.000 1.019 107 I CB 1.872 39.444 38.000 -0.714 0.000 1.227 107 I HN -0.455 nan 8.210 nan 0.000 0.434 108 T N 2.943 117.410 114.554 -0.146 0.000 2.934 108 T HA 0.113 4.478 4.350 0.025 0.000 0.306 108 T C 0.234 174.915 174.700 -0.032 0.000 1.042 108 T CA -0.171 61.894 62.100 -0.059 0.000 1.145 108 T CB 0.565 69.421 68.868 -0.020 0.000 0.982 108 T HN 0.385 nan 8.240 nan 0.000 0.544 109 V N 4.866 124.776 119.914 -0.007 0.000 2.381 109 V HA 0.232 4.367 4.120 0.025 0.000 0.257 109 V C 0.683 176.817 176.094 0.067 0.000 1.057 109 V CA -0.114 62.200 62.300 0.023 0.000 1.013 109 V CB -0.193 31.628 31.823 -0.003 0.000 1.069 109 V HN 0.875 nan 8.190 nan 0.000 0.484 110 N N 5.919 124.712 118.700 0.154 0.000 2.725 110 N HA 0.237 4.992 4.740 0.025 0.000 0.225 110 N C -3.011 172.585 175.510 0.143 0.000 1.465 110 N CA -1.056 52.082 53.050 0.147 0.000 0.830 110 N CB 1.510 40.130 38.487 0.220 0.000 1.460 110 N HN 0.265 nan 8.380 nan 0.000 0.538 111 P HA 0.262 nan 4.420 nan 0.000 0.268 111 P C -2.304 174.788 177.300 -0.346 0.000 1.205 111 P CA -0.821 61.881 63.100 -0.663 0.000 0.771 111 P CB 0.639 31.767 31.700 -0.953 0.000 0.858 112 P HA 0.245 nan 4.420 nan 0.000 0.262 112 P C -0.462 176.734 177.300 -0.173 0.000 1.651 112 P CA -0.320 62.583 63.100 -0.327 0.000 1.119 112 P CB -0.007 31.480 31.700 -0.354 0.000 1.552 113 F N 0.971 121.034 119.950 0.187 0.000 2.380 113 F HA 0.316 4.859 4.527 0.026 0.000 0.325 113 F C 1.378 177.348 175.800 0.282 0.000 1.136 113 F CA -0.625 57.492 58.000 0.196 0.000 1.171 113 F CB 0.985 40.048 39.000 0.106 0.000 1.230 113 F HN -0.193 nan 8.300 nan 0.000 0.554 114 V N -0.862 119.326 119.914 0.458 0.000 3.126 114 V HA 0.696 4.831 4.120 0.025 0.000 0.314 114 V C -2.826 173.427 176.094 0.264 0.000 1.138 114 V CA -2.858 59.629 62.300 0.311 0.000 1.034 114 V CB 1.407 33.461 31.823 0.385 0.000 1.075 114 V HN 0.469 nan 8.190 nan 0.000 0.442 115 P HA 0.223 nan 4.420 nan 0.000 0.269 115 P C 1.010 178.442 177.300 0.220 0.000 1.215 115 P CA 0.510 63.699 63.100 0.148 0.000 0.780 115 P CB 0.593 32.349 31.700 0.093 0.000 0.898 116 T N -1.895 112.759 114.554 0.168 0.000 2.904 116 T HA -0.065 4.300 4.350 0.025 0.000 0.267 116 T C 0.518 175.320 174.700 0.170 0.000 1.059 116 T CA 0.759 62.964 62.100 0.176 0.000 1.137 116 T CB -0.485 68.455 68.868 0.119 0.000 0.879 116 T HN 0.376 nan 8.240 nan 0.000 0.467 117 E N 2.736 123.036 120.200 0.166 0.000 1.932 117 E HA 0.229 4.594 4.350 0.025 0.000 0.275 117 E C -0.749 175.995 176.600 0.240 0.000 1.159 117 E CA -0.317 56.186 56.400 0.171 0.000 0.905 117 E CB 0.170 29.980 29.700 0.183 0.000 1.059 117 E HN 0.261 nan 8.360 nan 0.000 0.400 118 N N 4.440 123.253 118.700 0.188 0.000 2.573 118 N HA 0.230 4.985 4.740 0.025 0.000 0.262 118 N C -2.868 172.657 175.510 0.024 0.000 1.029 118 N CA -2.479 50.717 53.050 0.244 0.000 0.882 118 N CB 1.206 39.830 38.487 0.227 0.000 1.204 118 N HN 0.028 nan 8.380 nan 0.000 0.519 119 P HA 0.019 nan 4.420 nan 0.000 0.260 119 P C -0.846 176.339 177.300 -0.191 0.000 1.172 119 P CA 0.501 63.500 63.100 -0.168 0.000 0.760 119 P CB 0.389 32.310 31.700 0.367 0.000 0.773 120 T N 3.120 117.298 114.554 -0.627 0.000 2.791 120 T HA 0.534 4.900 4.350 0.025 0.000 0.288 120 T C 0.333 174.509 174.700 -0.872 0.000 0.999 120 T CA -0.539 61.254 62.100 -0.511 0.000 0.952 120 T CB 1.301 69.920 68.868 -0.415 0.000 0.938 120 T HN 0.335 nan 8.240 nan 0.000 0.444 121 G N 1.193 109.521 108.800 -0.787 0.000 2.335 121 G HA2 0.473 4.449 3.960 0.025 0.000 0.314 121 G HA3 0.473 4.449 3.960 0.025 0.000 0.314 121 G C -0.289 174.327 174.900 -0.474 0.000 1.129 121 G CA -0.360 44.138 45.100 -1.004 0.000 0.912 121 G HN 0.844 nan 8.290 nan 0.000 0.443 122 C N 3.252 122.068 119.300 -0.807 0.000 2.225 122 C HA 0.464 4.939 4.460 0.025 0.000 0.323 122 C C -0.552 174.392 174.990 -0.076 0.000 1.164 122 C CA -0.916 57.804 59.018 -0.496 0.000 1.565 122 C CB -1.648 25.425 27.740 -1.113 0.000 2.124 122 C HN 0.636 nan 8.230 nan 0.000 0.461 123 Y N 2.041 122.608 120.300 0.446 0.000 2.387 123 Y HA 0.630 5.195 4.550 0.026 0.000 0.330 123 Y C 0.825 177.175 175.900 0.750 0.000 1.133 123 Y CA -0.077 58.399 58.100 0.627 0.000 1.152 123 Y CB 1.500 40.307 38.460 0.578 0.000 1.215 123 Y HN 0.678 nan 8.280 nan 0.000 0.466 124 S N 2.311 118.497 115.700 0.809 0.000 2.579 124 S HA 0.815 5.300 4.470 0.025 0.000 0.272 124 S C -1.950 172.735 174.600 0.142 0.000 1.141 124 S CA -0.829 57.629 58.200 0.430 0.000 0.843 124 S CB 2.184 65.517 63.200 0.222 0.000 1.122 124 S HN 0.582 nan 8.310 nan 0.000 0.468 125 L N 0.906 122.030 121.223 -0.165 0.000 2.493 125 L HA 0.694 5.049 4.340 0.025 0.000 0.265 125 L C -1.091 175.730 176.870 -0.082 0.000 0.954 125 L CA 0.145 54.728 54.840 -0.428 0.000 0.844 125 L CB 2.243 43.541 42.059 -1.269 0.000 1.302 125 L HN 0.920 nan 8.230 nan 0.000 0.405 126 T N 5.787 120.317 114.554 -0.039 0.000 2.767 126 T HA 0.744 5.109 4.350 0.025 0.000 0.284 126 T C -0.837 173.906 174.700 0.072 0.000 0.973 126 T CA 0.020 62.127 62.100 0.013 0.000 0.996 126 T CB 0.248 69.091 68.868 -0.042 0.000 0.927 126 T HN 0.449 nan 8.240 nan 0.000 0.456 127 F N 0.938 120.791 119.950 -0.161 0.000 2.645 127 F HA 0.715 5.257 4.527 0.026 0.000 0.310 127 F C -0.763 174.959 175.800 -0.130 0.000 1.102 127 F CA -1.543 56.362 58.000 -0.159 0.000 0.952 127 F CB 1.343 40.226 39.000 -0.196 0.000 1.326 127 F HN 0.350 nan 8.300 nan 0.000 0.456 128 N N 0.735 119.365 118.700 -0.117 0.000 2.498 128 N HA 0.604 5.359 4.740 0.025 0.000 0.287 128 N C -1.810 173.579 175.510 -0.201 0.000 1.097 128 N CA -0.361 52.564 53.050 -0.207 0.000 0.973 128 N CB 1.807 40.218 38.487 -0.126 0.000 1.153 128 N HN 0.639 nan 8.380 nan 0.000 0.472 129 V N 2.298 122.066 119.914 -0.243 0.000 2.531 129 V HA 0.240 4.375 4.120 0.025 0.000 0.301 129 V C -0.422 175.569 176.094 -0.173 0.000 1.034 129 V CA -0.908 61.261 62.300 -0.217 0.000 0.865 129 V CB 1.445 33.199 31.823 -0.116 0.000 0.995 129 V HN 0.785 nan 8.190 nan 0.000 0.424 130 D N 2.345 122.606 120.400 -0.231 0.000 2.341 130 D HA 0.146 4.801 4.640 0.025 0.000 0.245 130 D C 1.095 177.411 176.300 0.025 0.000 1.106 130 D CA -0.048 53.895 54.000 -0.095 0.000 0.905 130 D CB 1.415 42.160 40.800 -0.092 0.000 1.202 130 D HN 0.674 nan 8.370 nan 0.000 0.426 131 E N 1.274 121.496 120.200 0.037 0.000 2.204 131 E HA -0.186 4.179 4.350 0.025 0.000 0.195 131 E C 1.685 178.356 176.600 0.119 0.000 0.990 131 E CA 1.594 58.036 56.400 0.070 0.000 0.821 131 E CB -0.274 29.450 29.700 0.040 0.000 0.750 131 E HN 0.449 nan 8.360 nan 0.000 0.477 132 S N -0.928 114.851 115.700 0.132 0.000 2.400 132 S HA -0.181 4.304 4.470 0.025 0.000 0.232 132 S C 1.742 176.435 174.600 0.156 0.000 1.025 132 S CA 1.067 59.346 58.200 0.131 0.000 0.993 132 S CB -0.861 62.416 63.200 0.127 0.000 0.808 132 S HN 0.412 nan 8.310 nan 0.000 0.478 133 W N 1.567 122.811 121.300 -0.094 0.000 2.519 133 W HA 0.377 5.053 4.660 0.025 0.000 0.266 133 W C 1.877 178.470 176.519 0.124 0.000 1.253 133 W CA -0.049 57.234 57.345 -0.103 0.000 1.274 133 W CB -0.384 29.093 29.460 0.028 0.000 1.114 133 W HN 0.314 nan 8.180 nan 0.000 0.596 134 L N -1.026 120.375 121.223 0.296 0.000 2.556 134 L HA 0.099 4.454 4.340 0.025 0.000 0.226 134 L C 2.106 179.063 176.870 0.145 0.000 1.089 134 L CA 0.310 55.280 54.840 0.217 0.000 0.864 134 L CB -0.591 41.567 42.059 0.165 0.000 1.067 134 L HN -0.136 nan 8.230 nan 0.000 0.477 135 Q N 0.241 120.114 119.800 0.121 0.000 2.224 135 Q HA -0.030 4.325 4.340 0.025 0.000 0.203 135 Q C -0.020 176.030 176.000 0.084 0.000 0.970 135 Q CA 1.060 56.912 55.803 0.083 0.000 0.865 135 Q CB 0.570 29.345 28.738 0.062 0.000 0.922 135 Q HN 0.221 nan 8.270 nan 0.000 0.445 136 E N -2.114 118.156 120.200 0.116 0.000 2.413 136 E HA 0.536 4.902 4.350 0.025 0.000 0.277 136 E C -0.401 176.303 176.600 0.174 0.000 0.958 136 E CA 0.220 56.685 56.400 0.109 0.000 0.779 136 E CB 1.544 31.299 29.700 0.091 0.000 1.278 136 E HN 0.216 nan 8.360 nan 0.000 0.456 137 G N 1.190 110.032 108.800 0.069 0.000 2.741 137 G HA2 -0.203 3.772 3.960 0.025 0.000 0.222 137 G HA3 -0.203 3.772 3.960 0.025 0.000 0.222 137 G C -0.721 174.090 174.900 -0.148 0.000 1.364 137 G CA -0.046 45.008 45.100 -0.077 0.000 0.866 137 G HN 0.536 nan 8.290 nan 0.000 0.555 138 Q N -0.584 118.976 119.800 -0.400 0.000 2.340 138 Q HA 0.649 5.004 4.340 0.025 0.000 0.268 138 Q C -0.964 174.872 176.000 -0.272 0.000 1.031 138 Q CA -0.509 55.162 55.803 -0.219 0.000 0.804 138 Q CB 1.629 30.274 28.738 -0.155 0.000 1.286 138 Q HN 0.623 nan 8.270 nan 0.000 0.448 139 T N 4.932 119.495 114.554 0.015 0.000 2.772 139 T HA 0.453 4.818 4.350 0.025 0.000 0.288 139 T C -0.591 174.217 174.700 0.180 0.000 0.994 139 T CA -0.619 61.590 62.100 0.182 0.000 0.951 139 T CB 0.475 69.596 68.868 0.422 0.000 0.933 139 T HN 0.622 nan 8.240 nan 0.000 0.447 140 R N 2.971 123.564 120.500 0.155 0.000 2.832 140 R HA 0.778 5.133 4.340 0.025 0.000 0.271 140 R C -1.019 175.377 176.300 0.159 0.000 0.996 140 R CA -0.971 55.222 56.100 0.154 0.000 0.977 140 R CB 1.473 31.839 30.300 0.109 0.000 1.168 140 R HN 0.549 nan 8.270 nan 0.000 0.482 141 I N 2.178 122.844 120.570 0.160 0.000 2.460 141 I HA 0.440 4.625 4.170 0.025 0.000 0.298 141 I C -1.041 175.112 176.117 0.061 0.000 0.989 141 I CA -1.251 60.088 61.300 0.065 0.000 1.173 141 I CB 1.346 39.379 38.000 0.055 0.000 1.338 141 I HN 0.612 nan 8.210 nan 0.000 0.456 142 I N 7.180 127.688 120.570 -0.103 0.000 2.447 142 I HA 0.285 4.470 4.170 0.025 0.000 0.287 142 I C -1.327 174.646 176.117 -0.239 0.000 1.023 142 I CA -0.354 60.908 61.300 -0.063 0.000 1.083 142 I CB 1.486 39.461 38.000 -0.042 0.000 1.245 142 I HN 0.380 nan 8.210 nan 0.000 0.434 143 F N 4.548 124.489 119.950 -0.015 0.000 2.308 143 F HA 0.278 4.820 4.527 0.025 0.000 0.370 143 F C 1.309 177.001 175.800 -0.180 0.000 1.100 143 F CA -0.490 57.429 58.000 -0.135 0.000 1.108 143 F CB 0.781 39.654 39.000 -0.212 0.000 1.293 143 F HN 0.454 nan 8.300 nan 0.000 0.478 144 D N 2.356 122.682 120.400 -0.122 0.000 2.264 144 D HA 0.039 4.695 4.640 0.025 0.000 0.208 144 D C 0.988 177.129 176.300 -0.264 0.000 0.966 144 D CA 0.882 54.762 54.000 -0.201 0.000 0.864 144 D CB 0.405 41.028 40.800 -0.295 0.000 0.933 144 D HN 0.632 nan 8.370 nan 0.000 0.499 145 G N -0.394 108.194 108.800 -0.354 0.000 2.505 145 G HA2 0.431 4.406 3.960 0.025 0.000 0.292 145 G HA3 0.431 4.406 3.960 0.025 0.000 0.292 145 G C -1.468 173.202 174.900 -0.383 0.000 1.332 145 G CA -0.421 44.379 45.100 -0.500 0.000 1.286 145 G HN -0.056 nan 8.290 nan 0.000 0.606 146 V N 2.525 122.401 119.914 -0.062 0.000 2.569 146 V HA 0.542 4.677 4.120 0.025 0.000 0.301 146 V C -0.873 175.295 176.094 0.123 0.000 1.044 146 V CA -1.164 61.085 62.300 -0.085 0.000 0.874 146 V CB 2.001 33.500 31.823 -0.540 0.000 1.002 146 V HN 0.708 nan 8.190 nan 0.000 0.424 147 N N 2.471 121.233 118.700 0.103 0.000 2.443 147 N HA 0.338 5.093 4.740 0.025 0.000 0.269 147 N C 0.546 175.984 175.510 -0.119 0.000 0.985 147 N CA 0.147 53.174 53.050 -0.039 0.000 0.921 147 N CB 2.188 40.500 38.487 -0.292 0.000 1.195 147 N HN 0.684 nan 8.380 nan 0.000 0.492 148 S N 1.846 117.514 115.700 -0.052 0.000 2.526 148 S HA 0.589 5.074 4.470 0.025 0.000 0.220 148 S C 0.334 174.993 174.600 0.097 0.000 1.017 148 S CA 0.055 58.275 58.200 0.033 0.000 0.930 148 S CB 0.366 63.598 63.200 0.054 0.000 0.856 148 S HN 0.653 nan 8.310 nan 0.000 0.497 149 A N 0.837 123.726 122.820 0.114 0.000 2.612 149 A HA 0.800 5.135 4.320 0.025 0.000 0.293 149 A C -1.323 176.346 177.584 0.142 0.000 1.075 149 A CA -0.993 51.074 52.037 0.050 0.000 0.680 149 A CB 0.838 19.900 19.000 0.104 0.000 1.279 149 A HN 1.083 nan 8.150 nan 0.000 0.411 150 F N -0.992 118.756 119.950 -0.337 0.000 2.741 150 F HA 0.731 5.273 4.527 0.025 0.000 0.311 150 F C -1.093 174.580 175.800 -0.212 0.000 1.149 150 F CA -0.854 57.057 58.000 -0.148 0.000 0.930 150 F CB 1.062 39.963 39.000 -0.165 0.000 1.312 150 F HN 0.640 nan 8.300 nan 0.000 0.450 151 H N 1.437 120.656 119.070 0.248 0.000 2.573 151 H HA 0.732 5.304 4.556 0.026 0.000 0.351 151 H C -1.496 173.816 175.328 -0.027 0.000 1.163 151 H CA -0.767 55.300 56.048 0.032 0.000 1.205 151 H CB 2.575 32.328 29.762 -0.016 0.000 1.605 151 H HN 0.744 nan 8.280 nan 0.000 0.525 152 L N 2.494 123.521 121.223 -0.326 0.000 2.386 152 L HA 0.397 4.752 4.340 0.025 0.000 0.271 152 L C -1.577 175.014 176.870 -0.465 0.000 0.993 152 L CA -0.517 54.194 54.840 -0.216 0.000 0.819 152 L CB 1.473 43.245 42.059 -0.480 0.000 1.294 152 L HN 0.526 nan 8.230 nan 0.000 0.414 153 W N 4.182 125.451 121.300 -0.051 0.000 2.781 153 W HA 0.629 5.305 4.660 0.026 0.000 0.345 153 W C -1.098 175.364 176.519 -0.094 0.000 1.085 153 W CA -0.828 56.472 57.345 -0.075 0.000 1.198 153 W CB 2.075 31.536 29.460 0.001 0.000 1.423 153 W HN 0.615 nan 8.180 nan 0.000 0.532 154 C N 4.199 123.589 119.300 0.150 0.000 2.481 154 C HA 0.293 4.768 4.460 0.025 0.000 0.324 154 C C 0.224 175.344 174.990 0.217 0.000 1.170 154 C CA -0.382 58.724 59.018 0.146 0.000 1.361 154 C CB -0.368 27.398 27.740 0.044 0.000 1.977 154 C HN 0.821 nan 8.230 nan 0.000 0.459 155 N N 3.510 122.291 118.700 0.135 0.000 2.721 155 N HA -0.193 4.563 4.740 0.025 0.000 0.249 155 N C 0.989 176.563 175.510 0.106 0.000 1.072 155 N CA 2.088 55.191 53.050 0.088 0.000 0.710 155 N CB -1.303 37.239 38.487 0.090 0.000 0.993 155 N HN 1.884 nan 8.380 nan 0.000 0.547 156 G N -1.224 107.635 108.800 0.097 0.000 2.205 156 G HA2 -0.365 3.610 3.960 0.025 0.000 0.261 156 G HA3 -0.365 3.610 3.960 0.025 0.000 0.261 156 G C 0.110 175.179 174.900 0.281 0.000 0.980 156 G CA 0.590 45.742 45.100 0.087 0.000 0.632 156 G HN 0.552 nan 8.290 nan 0.000 0.533 157 R N -0.818 119.913 120.500 0.384 0.000 2.346 157 R HA 0.441 4.796 4.340 0.025 0.000 0.311 157 R C -0.179 176.451 176.300 0.550 0.000 0.983 157 R CA -0.812 55.585 56.100 0.496 0.000 0.880 157 R CB 1.116 31.716 30.300 0.501 0.000 1.100 157 R HN 0.224 nan 8.270 nan 0.000 0.453 158 W N 3.582 125.056 121.300 0.290 0.000 2.216 158 W HA 0.103 4.778 4.660 0.025 0.000 0.326 158 W C 0.077 176.516 176.519 -0.133 0.000 1.319 158 W CA -0.020 57.191 57.345 -0.223 0.000 1.213 158 W CB 0.716 30.023 29.460 -0.256 0.000 1.171 158 W HN 0.323 nan 8.180 nan 0.000 0.557 159 V N 5.127 124.269 119.914 -1.288 0.000 2.743 159 V HA 0.530 4.665 4.120 0.025 0.000 0.237 159 V C 1.037 176.134 176.094 -1.662 0.000 1.113 159 V CA 1.098 62.604 62.300 -1.323 0.000 1.141 159 V CB -0.312 30.768 31.823 -1.237 0.000 0.873 159 V HN 0.843 nan 8.190 nan 0.000 0.486 160 G N -1.791 105.804 108.800 -2.008 0.000 2.341 160 G HA2 0.450 4.425 3.960 0.025 0.000 0.299 160 G HA3 0.450 4.425 3.960 0.025 0.000 0.299 160 G C -2.425 172.082 174.900 -0.656 0.000 1.274 160 G CA -0.239 44.088 45.100 -1.288 0.000 0.853 160 G HN 0.002 nan 8.290 nan 0.000 0.493 161 Y N -0.517 119.568 120.300 -0.359 0.000 2.571 161 Y HA 0.703 5.268 4.550 0.025 0.000 0.341 161 Y C -0.073 175.585 175.900 -0.403 0.000 1.076 161 Y CA -0.021 57.784 58.100 -0.492 0.000 1.029 161 Y CB 2.224 40.549 38.460 -0.224 0.000 1.308 161 Y HN 1.262 nan 8.280 nan 0.000 0.461 162 G N 3.575 111.468 108.800 -1.512 0.000 2.718 162 G HA2 0.593 4.568 3.960 0.025 0.000 0.295 162 G HA3 0.593 4.568 3.960 0.025 0.000 0.295 162 G C -2.099 172.337 174.900 -0.773 0.000 1.421 162 G CA -0.860 43.699 45.100 -0.902 0.000 0.902 162 G HN 0.622 nan 8.290 nan 0.000 0.501 163 Q N -0.365 119.249 119.800 -0.310 0.000 2.668 163 Q HA 0.593 4.949 4.340 0.025 0.000 0.298 163 Q C -1.386 174.619 176.000 0.009 0.000 1.071 163 Q CA -0.836 54.909 55.803 -0.096 0.000 0.789 163 Q CB 2.629 31.365 28.738 -0.002 0.000 1.497 163 Q HN 0.658 nan 8.270 nan 0.000 0.460 164 D N -0.221 120.219 120.400 0.067 0.000 4.303 164 D HA -0.098 4.557 4.640 0.025 0.000 0.230 164 D C -0.625 175.739 176.300 0.108 0.000 1.172 164 D CA 0.426 54.480 54.000 0.090 0.000 1.001 164 D CB -0.660 40.178 40.800 0.063 0.000 0.641 164 D HN 0.520 nan 8.370 nan 0.000 0.296 165 S N 3.273 119.049 115.700 0.126 0.000 2.603 165 S HA -0.030 4.455 4.470 0.025 0.000 0.229 165 S C 1.502 176.233 174.600 0.218 0.000 0.972 165 S CA 0.440 58.740 58.200 0.168 0.000 0.935 165 S CB 0.251 63.515 63.200 0.106 0.000 0.769 165 S HN 0.442 nan 8.310 nan 0.000 0.536 166 R N 0.171 120.765 120.500 0.155 0.000 2.565 166 R HA 0.434 4.789 4.340 0.025 0.000 0.347 166 R C -0.437 175.928 176.300 0.108 0.000 1.010 166 R CA 0.045 56.242 56.100 0.160 0.000 1.126 166 R CB 0.237 30.655 30.300 0.197 0.000 1.331 166 R HN 0.314 nan 8.270 nan 0.000 0.552 167 L N 1.412 122.670 121.223 0.057 0.000 2.350 167 L HA 0.538 4.893 4.340 0.025 0.000 0.260 167 L C -2.388 174.463 176.870 -0.031 0.000 1.015 167 L CA -2.247 52.595 54.840 0.003 0.000 0.821 167 L CB 3.023 45.076 42.059 -0.010 0.000 1.370 167 L HN -0.203 nan 8.230 nan 0.000 0.416 168 P HA 0.138 nan 4.420 nan 0.000 0.275 168 P C -1.089 176.178 177.300 -0.055 0.000 1.227 168 P CA -0.293 62.764 63.100 -0.073 0.000 0.781 168 P CB 1.214 32.834 31.700 -0.134 0.000 0.906 169 S N 1.833 117.560 115.700 0.044 0.000 2.456 169 S HA 0.324 4.809 4.470 0.025 0.000 0.316 169 S C -0.364 174.186 174.600 -0.083 0.000 1.089 169 S CA -0.576 57.611 58.200 -0.021 0.000 1.101 169 S CB 0.819 64.187 63.200 0.281 0.000 0.995 169 S HN 0.367 nan 8.310 nan 0.000 0.468 170 E N 1.907 121.861 120.200 -0.409 0.000 2.238 170 E HA 0.588 4.954 4.350 0.025 0.000 0.267 170 E C -1.430 174.788 176.600 -0.638 0.000 0.887 170 E CA -0.569 55.669 56.400 -0.269 0.000 0.769 170 E CB 1.716 31.366 29.700 -0.083 0.000 1.187 170 E HN 0.417 nan 8.360 nan 0.000 0.416 171 F N 0.565 120.570 119.950 0.091 0.000 2.578 171 F HA 0.193 4.736 4.527 0.026 0.000 0.311 171 F C -0.075 175.749 175.800 0.040 0.000 1.094 171 F CA -1.111 56.906 58.000 0.028 0.000 0.923 171 F CB 1.623 40.606 39.000 -0.028 0.000 1.230 171 F HN 0.287 nan 8.300 nan 0.000 0.450 172 D N 2.896 123.428 120.400 0.220 0.000 2.325 172 D HA 0.207 4.862 4.640 0.025 0.000 0.251 172 D C 0.234 176.677 176.300 0.238 0.000 1.196 172 D CA 0.327 54.439 54.000 0.187 0.000 0.866 172 D CB 0.890 41.783 40.800 0.155 0.000 1.101 172 D HN 0.565 nan 8.370 nan 0.000 0.476 173 L N 2.911 124.277 121.223 0.239 0.000 2.667 173 L HA 0.047 4.403 4.340 0.025 0.000 0.232 173 L C 2.022 179.121 176.870 0.382 0.000 1.138 173 L CA -0.171 54.853 54.840 0.307 0.000 0.921 173 L CB 0.082 42.285 42.059 0.240 0.000 1.180 173 L HN 0.276 nan 8.230 nan 0.000 0.487 174 S N 1.327 117.195 115.700 0.281 0.000 2.374 174 S HA -0.235 4.250 4.470 0.025 0.000 0.227 174 S C 1.957 176.662 174.600 0.176 0.000 1.037 174 S CA 1.731 60.056 58.200 0.208 0.000 1.024 174 S CB -0.103 63.178 63.200 0.135 0.000 0.861 174 S HN 0.553 nan 8.310 nan 0.000 0.456 175 A N -0.769 122.145 122.820 0.156 0.000 2.278 175 A HA 0.390 4.725 4.320 0.025 0.000 0.212 175 A C 1.080 178.553 177.584 -0.186 0.000 1.213 175 A CA 0.171 52.179 52.037 -0.047 0.000 0.840 175 A CB -0.399 18.484 19.000 -0.195 0.000 0.866 175 A HN 0.476 nan 8.150 nan 0.000 0.489 176 F N -1.197 118.794 119.950 0.070 0.000 2.746 176 F HA 0.400 4.942 4.527 0.025 0.000 0.313 176 F C 0.589 176.425 175.800 0.061 0.000 1.095 176 F CA -0.105 57.935 58.000 0.066 0.000 1.224 176 F CB 0.322 39.368 39.000 0.076 0.000 1.060 176 F HN -0.013 nan 8.300 nan 0.000 0.584 177 L N 1.050 122.417 121.223 0.239 0.000 2.365 177 L HA 0.575 4.930 4.340 0.025 0.000 0.267 177 L C -0.000 176.911 176.870 0.069 0.000 1.033 177 L CA -0.996 53.928 54.840 0.141 0.000 0.802 177 L CB 1.187 43.343 42.059 0.162 0.000 1.267 177 L HN -0.080 nan 8.230 nan 0.000 0.457 178 R N 1.430 121.934 120.500 0.006 0.000 2.808 178 R HA 0.686 5.041 4.340 0.025 0.000 0.272 178 R C -1.208 175.070 176.300 -0.036 0.000 0.995 178 R CA -0.659 55.437 56.100 -0.007 0.000 0.917 178 R CB 1.449 31.739 30.300 -0.017 0.000 1.217 178 R HN 0.572 nan 8.270 nan 0.000 0.471 179 A N 1.198 124.007 122.820 -0.018 0.000 2.531 179 A HA 0.470 4.805 4.320 0.025 0.000 0.236 179 A C 1.045 178.585 177.584 -0.074 0.000 1.062 179 A CA 1.291 53.307 52.037 -0.035 0.000 0.760 179 A CB -0.768 18.224 19.000 -0.013 0.000 0.995 179 A HN 1.584 nan 8.150 nan 0.000 0.501 180 G N 1.326 110.063 108.800 -0.104 0.000 2.466 180 G HA2 -0.044 3.931 3.960 0.025 0.000 0.218 180 G HA3 -0.044 3.931 3.960 0.025 0.000 0.218 180 G C -0.539 174.242 174.900 -0.198 0.000 1.237 180 G CA -0.169 44.856 45.100 -0.123 0.000 0.954 180 G HN 0.906 nan 8.290 nan 0.000 0.580 181 E N 1.750 121.838 120.200 -0.187 0.000 2.338 181 E HA 0.431 4.796 4.350 0.025 0.000 0.272 181 E C 0.273 176.684 176.600 -0.314 0.000 1.029 181 E CA -0.119 56.129 56.400 -0.254 0.000 0.872 181 E CB 0.749 30.350 29.700 -0.164 0.000 1.015 181 E HN 0.483 nan 8.360 nan 0.000 0.417 182 N N 1.772 120.152 118.700 -0.534 0.000 2.405 182 N HA 0.406 5.161 4.740 0.025 0.000 0.285 182 N C -0.748 174.529 175.510 -0.388 0.000 1.262 182 N CA -0.660 52.081 53.050 -0.514 0.000 0.773 182 N CB 2.742 40.727 38.487 -0.837 0.000 1.490 182 N HN 0.216 nan 8.380 nan 0.000 0.486 183 R N 1.374 121.800 120.500 -0.124 0.000 2.532 183 R HA 0.491 4.846 4.340 0.025 0.000 0.297 183 R C -1.229 175.145 176.300 0.124 0.000 0.984 183 R CA -0.475 55.636 56.100 0.017 0.000 0.884 183 R CB 1.041 31.310 30.300 -0.052 0.000 1.182 183 R HN 0.483 nan 8.270 nan 0.000 0.442 184 L N 2.817 124.159 121.223 0.197 0.000 2.360 184 L HA 0.789 5.144 4.340 0.025 0.000 0.271 184 L C -0.248 176.687 176.870 0.108 0.000 1.057 184 L CA -0.969 53.984 54.840 0.188 0.000 0.803 184 L CB 1.910 44.081 42.059 0.187 0.000 1.207 184 L HN 0.756 nan 8.230 nan 0.000 0.445 185 A N 2.253 125.157 122.820 0.140 0.000 2.381 185 A HA 0.741 5.076 4.320 0.025 0.000 0.299 185 A C -1.175 176.706 177.584 0.495 0.000 1.049 185 A CA -0.438 51.607 52.037 0.013 0.000 0.715 185 A CB 1.624 20.135 19.000 -0.815 0.000 1.222 185 A HN 0.353 nan 8.150 nan 0.000 0.428 186 V N 3.181 123.549 119.914 0.757 0.000 2.444 186 V HA 0.495 4.630 4.120 0.025 0.000 0.294 186 V C -0.081 176.535 176.094 0.870 0.000 1.022 186 V CA -0.307 62.429 62.300 0.726 0.000 0.850 186 V CB 1.590 33.656 31.823 0.404 0.000 0.992 186 V HN 0.962 nan 8.190 nan 0.000 0.426 187 M N 5.950 126.085 119.600 0.892 0.000 2.055 187 M HA 0.541 5.036 4.480 0.025 0.000 0.347 187 M C -1.385 175.174 176.300 0.430 0.000 1.123 187 M CA -0.378 55.272 55.300 0.582 0.000 1.035 187 M CB 1.028 34.004 32.600 0.626 0.000 1.484 187 M HN 0.488 nan 8.290 nan 0.000 0.428 188 V N 6.870 126.993 119.914 0.349 0.000 2.370 188 V HA 0.369 4.504 4.120 0.025 0.000 0.279 188 V C -0.069 176.188 176.094 0.272 0.000 1.029 188 V CA -0.637 61.877 62.300 0.358 0.000 0.870 188 V CB 1.249 33.379 31.823 0.512 0.000 0.984 188 V HN 0.797 nan 8.190 nan 0.000 0.451 189 L N 4.901 126.214 121.223 0.152 0.000 2.292 189 L HA 0.510 4.866 4.340 0.025 0.000 0.284 189 L C 1.564 178.448 176.870 0.023 0.000 1.065 189 L CA -0.346 54.507 54.840 0.023 0.000 0.806 189 L CB 1.152 43.133 42.059 -0.131 0.000 1.175 189 L HN 0.628 nan 8.230 nan 0.000 0.431 190 R N 2.671 123.132 120.500 -0.066 0.000 2.066 190 R HA -0.044 4.311 4.340 0.025 0.000 0.232 190 R C -0.348 175.613 176.300 -0.566 0.000 1.131 190 R CA 1.268 57.084 56.100 -0.474 0.000 0.955 190 R CB 0.207 30.081 30.300 -0.710 0.000 0.851 190 R HN 0.568 nan 8.270 nan 0.000 0.432 191 W N 0.031 121.387 121.300 0.094 0.000 2.689 191 W HA 0.424 5.099 4.660 0.025 0.000 0.340 191 W C -0.364 176.260 176.519 0.174 0.000 1.060 191 W CA -0.756 56.651 57.345 0.103 0.000 1.218 191 W CB 1.851 31.375 29.460 0.107 0.000 1.410 191 W HN 0.052 nan 8.180 nan 0.000 0.528 192 S N -1.151 114.825 115.700 0.459 0.000 2.661 192 S HA 0.184 4.669 4.470 0.025 0.000 0.268 192 S C 0.041 174.887 174.600 0.410 0.000 1.162 192 S CA -0.411 58.073 58.200 0.473 0.000 0.817 192 S CB 1.089 64.544 63.200 0.425 0.000 1.141 192 S HN 0.633 nan 8.310 nan 0.000 0.477 193 D N 0.382 121.033 120.400 0.419 0.000 2.263 193 D HA 0.074 4.729 4.640 0.025 0.000 0.208 193 D C 1.757 178.368 176.300 0.519 0.000 0.971 193 D CA 1.164 55.464 54.000 0.500 0.000 0.867 193 D CB -0.695 40.274 40.800 0.282 0.000 0.929 193 D HN 0.716 nan 8.370 nan 0.000 0.492 194 G N 0.040 109.059 108.800 0.365 0.000 2.470 194 G HA2 -0.244 3.731 3.960 0.025 0.000 0.220 194 G HA3 -0.244 3.731 3.960 0.025 0.000 0.220 194 G C 1.678 176.758 174.900 0.299 0.000 1.121 194 G CA 0.643 45.932 45.100 0.314 0.000 0.766 194 G HN 0.303 nan 8.290 nan 0.000 0.553 195 S N -0.174 115.687 115.700 0.269 0.000 2.419 195 S HA -0.087 4.398 4.470 0.025 0.000 0.233 195 S C 1.868 176.555 174.600 0.146 0.000 1.016 195 S CA 0.606 58.931 58.200 0.209 0.000 0.974 195 S CB -0.381 62.949 63.200 0.217 0.000 0.786 195 S HN 0.564 nan 8.310 nan 0.000 0.492 196 Y N 1.156 121.590 120.300 0.224 0.000 2.421 196 Y HA 0.064 4.629 4.550 0.025 0.000 0.292 196 Y C 1.623 177.645 175.900 0.203 0.000 1.136 196 Y CA 0.667 58.831 58.100 0.108 0.000 1.255 196 Y CB -0.161 38.234 38.460 -0.109 0.000 0.991 196 Y HN 0.199 nan 8.280 nan 0.000 0.552 197 L N -0.394 121.028 121.223 0.331 0.000 2.628 197 L HA 0.105 4.460 4.340 0.025 0.000 0.229 197 L C 0.087 177.097 176.870 0.235 0.000 1.137 197 L CA 0.451 55.440 54.840 0.250 0.000 0.909 197 L CB 0.088 42.296 42.059 0.248 0.000 1.137 197 L HN 0.134 nan 8.230 nan 0.000 0.470 198 E N -0.149 120.202 120.200 0.251 0.000 3.646 198 E HA 0.037 4.402 4.350 0.025 0.000 0.211 198 E C -0.480 176.231 176.600 0.184 0.000 1.034 198 E CA -0.066 56.466 56.400 0.219 0.000 1.341 198 E CB 0.484 30.303 29.700 0.198 0.000 1.202 198 E HN 0.032 nan 8.360 nan 0.000 0.447 199 D N 1.093 121.560 120.400 0.112 0.000 2.690 199 D HA 0.027 4.682 4.640 0.025 0.000 0.236 199 D C -0.218 176.080 176.300 -0.004 0.000 1.218 199 D CA -0.079 53.875 54.000 -0.076 0.000 0.829 199 D CB 0.156 40.653 40.800 -0.504 0.000 1.009 199 D HN 0.057 nan 8.370 nan 0.000 0.482 200 Q N 0.450 120.342 119.800 0.154 0.000 2.392 200 Q HA 0.116 4.471 4.340 0.025 0.000 0.262 200 Q C -0.114 176.012 176.000 0.211 0.000 1.003 200 Q CA 0.064 56.028 55.803 0.269 0.000 0.888 200 Q CB 0.605 29.666 28.738 0.538 0.000 1.260 200 Q HN 0.062 nan 8.270 nan 0.000 0.435 201 D N 3.106 123.656 120.400 0.250 0.000 2.441 201 D HA 0.176 4.832 4.640 0.025 0.000 0.243 201 D C -0.811 175.648 176.300 0.265 0.000 1.257 201 D CA 0.128 54.254 54.000 0.211 0.000 1.027 201 D CB -0.427 40.508 40.800 0.225 0.000 1.084 201 D HN 0.497 nan 8.370 nan 0.000 0.514 202 M N 0.560 120.285 119.600 0.209 0.000 2.895 202 M HA 0.368 4.863 4.480 0.025 0.000 0.271 202 M C -1.356 175.042 176.300 0.163 0.000 1.174 202 M CA -1.137 54.213 55.300 0.084 0.000 0.816 202 M CB 0.981 33.581 32.600 -0.000 0.000 1.647 202 M HN -0.077 nan 8.290 nan 0.000 0.506 203 W N 2.015 123.402 121.300 0.145 0.000 2.257 203 W HA 0.258 4.933 4.660 0.026 0.000 0.337 203 W C 0.305 176.848 176.519 0.041 0.000 1.321 203 W CA 0.005 57.426 57.345 0.127 0.000 1.267 203 W CB 0.342 29.814 29.460 0.020 0.000 1.187 203 W HN 0.320 nan 8.180 nan 0.000 0.565 204 R N 4.836 125.516 120.500 0.300 0.000 2.204 204 R HA 0.413 4.768 4.340 0.025 0.000 0.341 204 R C -0.112 176.197 176.300 0.015 0.000 1.035 204 R CA -0.246 55.947 56.100 0.155 0.000 0.887 204 R CB 0.210 30.672 30.300 0.269 0.000 1.114 204 R HN 0.548 nan 8.270 nan 0.000 0.473 205 M N 0.262 119.758 119.600 -0.175 0.000 2.792 205 M HA 0.529 5.025 4.480 0.025 0.000 0.290 205 M C -0.022 175.920 176.300 -0.596 0.000 1.155 205 M CA -0.800 54.274 55.300 -0.376 0.000 0.781 205 M CB 2.239 34.615 32.600 -0.374 0.000 1.741 205 M HN 0.634 nan 8.290 nan 0.000 0.473 206 S N -1.244 113.968 115.700 -0.814 0.000 2.611 206 S HA 0.940 5.425 4.470 0.025 0.000 0.268 206 S C -0.636 173.460 174.600 -0.841 0.000 1.156 206 S CA -0.221 57.432 58.200 -0.912 0.000 0.817 206 S CB 1.772 64.224 63.200 -1.245 0.000 1.122 206 S HN 1.425 nan 8.310 nan 0.000 0.466 207 G N -0.143 108.412 108.800 -0.409 0.000 2.343 207 G HA2 0.208 4.183 3.960 0.025 0.000 0.465 207 G HA3 0.208 4.183 3.960 0.025 0.000 0.465 207 G C -1.495 173.416 174.900 0.019 0.000 1.282 207 G CA -0.648 44.502 45.100 0.083 0.000 0.996 207 G HN 1.135 nan 8.290 nan 0.000 0.521 208 I N 2.027 122.453 120.570 -0.239 0.000 2.241 208 I HA 0.278 4.464 4.170 0.025 0.000 0.294 208 I C 1.103 177.073 176.117 -0.246 0.000 1.145 208 I CA -0.230 60.819 61.300 -0.419 0.000 1.261 208 I CB -0.201 37.272 38.000 -0.879 0.000 1.475 208 I HN 0.513 nan 8.210 nan 0.000 0.533 209 F N 4.069 123.864 119.950 -0.257 0.000 2.695 209 F HA 0.461 5.003 4.527 0.025 0.000 0.303 209 F C 0.706 176.426 175.800 -0.133 0.000 1.091 209 F CA -0.575 57.310 58.000 -0.191 0.000 1.300 209 F CB 0.120 39.011 39.000 -0.181 0.000 1.071 209 F HN 0.115 nan 8.300 nan 0.000 0.578 210 R N 0.612 120.624 120.500 -0.813 0.000 2.939 210 R HA 0.254 4.609 4.340 0.025 0.000 0.254 210 R C -0.681 175.401 176.300 -0.363 0.000 1.123 210 R CA -1.156 54.608 56.100 -0.560 0.000 1.020 210 R CB 0.708 30.610 30.300 -0.664 0.000 1.206 210 R HN -0.015 nan 8.270 nan 0.000 0.491 211 D N 0.739 120.975 120.400 -0.273 0.000 2.419 211 D HA 0.116 4.772 4.640 0.025 0.000 0.236 211 D C -0.395 175.765 176.300 -0.234 0.000 1.165 211 D CA 0.364 54.244 54.000 -0.199 0.000 0.882 211 D CB 0.798 41.513 40.800 -0.142 0.000 1.201 211 D HN -0.008 nan 8.370 nan 0.000 0.443 212 V N 0.731 120.515 119.914 -0.215 0.000 2.604 212 V HA 0.578 4.713 4.120 0.025 0.000 0.305 212 V C 0.112 176.083 176.094 -0.204 0.000 1.043 212 V CA -0.602 61.508 62.300 -0.315 0.000 0.888 212 V CB 1.725 33.357 31.823 -0.320 0.000 0.995 212 V HN 0.770 nan 8.190 nan 0.000 0.429 213 S N 4.191 119.751 115.700 -0.234 0.000 2.638 213 S HA 0.870 5.355 4.470 0.025 0.000 0.274 213 S C -1.588 172.956 174.600 -0.094 0.000 1.157 213 S CA -0.816 57.313 58.200 -0.118 0.000 0.826 213 S CB 2.110 65.277 63.200 -0.056 0.000 1.139 213 S HN 0.445 nan 8.310 nan 0.000 0.474 214 L N 1.371 122.602 121.223 0.013 0.000 2.362 214 L HA 0.793 5.148 4.340 0.025 0.000 0.275 214 L C -1.372 175.675 176.870 0.294 0.000 0.998 214 L CA -0.737 54.185 54.840 0.136 0.000 0.820 214 L CB 1.603 43.736 42.059 0.123 0.000 1.270 214 L HN 0.856 nan 8.230 nan 0.000 0.415 215 L N 4.110 125.490 121.223 0.262 0.000 2.385 215 L HA 0.494 4.850 4.340 0.025 0.000 0.273 215 L C -1.092 175.802 176.870 0.040 0.000 0.990 215 L CA -0.203 54.733 54.840 0.159 0.000 0.821 215 L CB 1.385 43.497 42.059 0.087 0.000 1.279 215 L HN 0.620 nan 8.230 nan 0.000 0.412 216 H N 5.189 124.046 119.070 -0.355 0.000 2.467 216 H HA 0.500 5.072 4.556 0.025 0.000 0.326 216 H C -1.247 173.868 175.328 -0.355 0.000 1.094 216 H CA -0.537 55.166 56.048 -0.575 0.000 1.253 216 H CB 1.179 30.091 29.762 -1.417 0.000 1.439 216 H HN 0.544 nan 8.280 nan 0.000 0.479 217 K N 5.222 125.210 120.400 -0.688 0.000 2.385 217 K HA 0.364 4.699 4.320 0.025 0.000 0.248 217 K C -2.735 173.591 176.600 -0.456 0.000 0.955 217 K CA -2.030 54.010 56.287 -0.412 0.000 0.816 217 K CB 2.197 34.530 32.500 -0.278 0.000 1.250 217 K HN 0.477 nan 8.250 nan 0.000 0.434 218 P HA 0.133 nan 4.420 nan 0.000 0.272 218 P C 0.522 177.740 177.300 -0.137 0.000 1.240 218 P CA -0.134 62.889 63.100 -0.128 0.000 0.791 218 P CB 0.468 32.139 31.700 -0.049 0.000 0.978 219 T N -1.111 113.391 114.554 -0.086 0.000 2.746 219 T HA -0.047 4.318 4.350 0.025 0.000 0.267 219 T C 0.598 175.255 174.700 -0.072 0.000 1.039 219 T CA 1.554 63.612 62.100 -0.071 0.000 1.142 219 T CB -0.597 68.249 68.868 -0.038 0.000 0.866 219 T HN 0.429 nan 8.240 nan 0.000 0.444 220 T N 3.758 118.277 114.554 -0.059 0.000 2.728 220 T HA 0.449 4.814 4.350 0.025 0.000 0.296 220 T C -0.207 174.447 174.700 -0.077 0.000 0.940 220 T CA -0.546 61.511 62.100 -0.071 0.000 1.013 220 T CB 0.527 69.369 68.868 -0.044 0.000 0.912 220 T HN 0.489 nan 8.240 nan 0.000 0.484 221 Q N 2.349 122.089 119.800 -0.100 0.000 2.534 221 Q HA 0.579 4.935 4.340 0.025 0.000 0.290 221 Q C -1.337 174.600 176.000 -0.106 0.000 0.991 221 Q CA -1.147 54.588 55.803 -0.114 0.000 0.783 221 Q CB 1.197 29.844 28.738 -0.153 0.000 1.470 221 Q HN 0.457 nan 8.270 nan 0.000 0.406 222 I N 2.520 123.002 120.570 -0.147 0.000 2.452 222 I HA 0.039 4.224 4.170 0.025 0.000 0.287 222 I C 0.761 176.771 176.117 -0.177 0.000 1.079 222 I CA 0.077 61.309 61.300 -0.114 0.000 1.387 222 I CB 1.093 38.989 38.000 -0.174 0.000 1.404 222 I HN 0.887 nan 8.210 nan 0.000 0.522 223 S N 2.584 118.302 115.700 0.031 0.000 2.505 223 S HA 0.221 4.706 4.470 0.025 0.000 0.216 223 S C 0.179 175.022 174.600 0.405 0.000 1.018 223 S CA -0.276 58.017 58.200 0.156 0.000 0.911 223 S CB 0.332 63.579 63.200 0.078 0.000 0.818 223 S HN 0.695 nan 8.310 nan 0.000 0.497 224 D N -0.183 120.443 120.400 0.376 0.000 2.683 224 D HA 0.535 5.191 4.640 0.025 0.000 0.246 224 D C -1.907 174.617 176.300 0.374 0.000 1.238 224 D CA -0.670 53.554 54.000 0.373 0.000 0.759 224 D CB 1.821 42.730 40.800 0.182 0.000 1.349 224 D HN 0.217 nan 8.370 nan 0.000 0.426 225 F N -0.538 119.535 119.950 0.205 0.000 2.635 225 F HA 0.589 5.132 4.527 0.026 0.000 0.314 225 F C -1.609 174.355 175.800 0.273 0.000 1.119 225 F CA -0.735 57.329 58.000 0.106 0.000 1.000 225 F CB 1.219 40.287 39.000 0.113 0.000 1.278 225 F HN 0.246 nan 8.300 nan 0.000 0.446 226 H N 2.045 121.164 119.070 0.083 0.000 2.600 226 H HA 0.757 5.328 4.556 0.026 0.000 0.357 226 H C -1.329 174.036 175.328 0.062 0.000 1.106 226 H CA -1.512 54.524 56.048 -0.019 0.000 1.193 226 H CB 2.752 32.497 29.762 -0.029 0.000 1.594 226 H HN 0.603 nan 8.280 nan 0.000 0.526 227 V N 2.112 122.119 119.914 0.154 0.000 2.495 227 V HA 0.681 4.816 4.120 0.025 0.000 0.298 227 V C -0.254 175.833 176.094 -0.011 0.000 1.031 227 V CA -0.582 61.765 62.300 0.078 0.000 0.871 227 V CB 1.328 33.193 31.823 0.070 0.000 0.988 227 V HN 0.921 nan 8.190 nan 0.000 0.432 228 A N 3.114 125.905 122.820 -0.048 0.000 2.454 228 A HA 0.969 5.304 4.320 0.025 0.000 0.302 228 A C -0.226 177.256 177.584 -0.170 0.000 1.079 228 A CA -0.520 51.467 52.037 -0.083 0.000 0.731 228 A CB 2.140 21.114 19.000 -0.043 0.000 1.299 228 A HN 0.941 nan 8.150 nan 0.000 0.413 229 T N -0.658 113.780 114.554 -0.194 0.000 2.881 229 T HA 0.701 5.066 4.350 0.025 0.000 0.291 229 T C -0.494 174.003 174.700 -0.338 0.000 0.990 229 T CA -0.783 61.111 62.100 -0.344 0.000 0.976 229 T CB 1.040 69.592 68.868 -0.526 0.000 0.970 229 T HN 1.044 nan 8.240 nan 0.000 0.438 230 R N 1.744 121.965 120.500 -0.465 0.000 2.778 230 R HA 0.861 5.216 4.340 0.025 0.000 0.277 230 R C -1.624 174.290 176.300 -0.643 0.000 0.977 230 R CA -0.946 54.951 56.100 -0.338 0.000 0.950 230 R CB 1.263 31.485 30.300 -0.130 0.000 1.165 230 R HN 0.471 nan 8.270 nan 0.000 0.474 231 F N 0.577 120.505 119.950 -0.036 0.000 2.611 231 F HA 0.394 4.935 4.527 0.024 0.000 0.324 231 F C 0.231 175.893 175.800 -0.229 0.000 1.061 231 F CA -1.014 56.904 58.000 -0.136 0.000 0.954 231 F CB 1.524 40.327 39.000 -0.328 0.000 1.301 231 F HN 0.741 nan 8.300 nan 0.000 0.482 232 N N 0.036 118.706 118.700 -0.050 0.000 2.366 232 N HA 0.037 4.792 4.740 0.025 0.000 0.277 232 N C 0.436 175.800 175.510 -0.243 0.000 1.275 232 N CA -0.103 52.886 53.050 -0.101 0.000 0.964 232 N CB 0.099 38.555 38.487 -0.050 0.000 1.167 232 N HN 0.677 nan 8.380 nan 0.000 0.568 233 D N -1.558 118.749 120.400 -0.156 0.000 2.218 233 D HA -0.206 4.449 4.640 0.025 0.000 0.204 233 D C 0.312 176.532 176.300 -0.133 0.000 0.976 233 D CA 1.322 55.230 54.000 -0.153 0.000 0.853 233 D CB -0.481 40.292 40.800 -0.044 0.000 0.939 233 D HN 0.719 nan 8.370 nan 0.000 0.481 234 D N -1.552 118.815 120.400 -0.055 0.000 2.440 234 D HA 0.022 4.677 4.640 0.025 0.000 0.216 234 D C 0.100 176.568 176.300 0.280 0.000 1.150 234 D CA -0.892 53.193 54.000 0.141 0.000 0.832 234 D CB -0.907 39.971 40.800 0.130 0.000 0.992 234 D HN 0.179 nan 8.370 nan 0.000 0.502 235 F N 0.317 120.331 119.950 0.106 0.000 2.953 235 F HA -0.283 4.258 4.527 0.023 0.000 0.292 235 F C 1.622 177.509 175.800 0.145 0.000 0.747 235 F CA 0.777 58.855 58.000 0.131 0.000 1.222 235 F CB -2.523 36.447 39.000 -0.050 0.000 1.457 235 F HN 0.203 nan 8.300 nan 0.000 0.383 236 S N -0.895 114.913 115.700 0.180 0.000 2.558 236 S HA 0.277 4.762 4.470 0.025 0.000 0.217 236 S C 0.619 175.274 174.600 0.090 0.000 0.975 236 S CA -0.015 58.262 58.200 0.128 0.000 0.912 236 S CB 0.338 63.589 63.200 0.086 0.000 0.776 236 S HN 0.456 nan 8.310 nan 0.000 0.526 237 R N 0.213 120.769 120.500 0.093 0.000 2.673 237 R HA 0.808 5.163 4.340 0.025 0.000 0.281 237 R C -1.258 175.060 176.300 0.029 0.000 0.991 237 R CA -0.424 55.695 56.100 0.033 0.000 0.896 237 R CB 2.154 32.452 30.300 -0.004 0.000 1.201 237 R HN 0.222 nan 8.270 nan 0.000 0.457 238 A N 1.672 124.450 122.820 -0.070 0.000 2.527 238 A HA 0.786 5.121 4.320 0.025 0.000 0.293 238 A C -1.251 176.240 177.584 -0.155 0.000 1.117 238 A CA -0.716 51.182 52.037 -0.231 0.000 0.723 238 A CB 2.095 20.945 19.000 -0.251 0.000 1.313 238 A HN 0.337 nan 8.150 nan 0.000 0.411 239 V N 1.164 120.963 119.914 -0.193 0.000 2.531 239 V HA 0.438 4.573 4.120 0.025 0.000 0.301 239 V C -0.608 175.423 176.094 -0.104 0.000 1.034 239 V CA -0.384 61.851 62.300 -0.108 0.000 0.865 239 V CB 1.504 33.263 31.823 -0.107 0.000 0.995 239 V HN 0.802 nan 8.190 nan 0.000 0.424 240 L N 4.466 125.669 121.223 -0.033 0.000 2.265 240 L HA 0.587 4.942 4.340 0.025 0.000 0.288 240 L C 0.027 176.860 176.870 -0.063 0.000 1.058 240 L CA 0.064 54.862 54.840 -0.070 0.000 0.809 240 L CB 0.984 43.041 42.059 -0.003 0.000 1.179 240 L HN 0.804 nan 8.230 nan 0.000 0.429 241 E N 4.511 124.668 120.200 -0.072 0.000 2.129 241 E HA 0.626 4.992 4.350 0.025 0.000 0.268 241 E C -1.311 175.282 176.600 -0.012 0.000 0.900 241 E CA -0.712 55.663 56.400 -0.041 0.000 0.755 241 E CB 1.558 31.234 29.700 -0.041 0.000 1.117 241 E HN 0.706 nan 8.360 nan 0.000 0.410 242 A N 4.785 127.605 122.820 -0.000 0.000 2.285 242 A HA 0.297 4.632 4.320 0.025 0.000 0.310 242 A C -0.609 176.987 177.584 0.020 0.000 1.266 242 A CA -0.677 51.385 52.037 0.041 0.000 0.832 242 A CB 0.889 19.916 19.000 0.043 0.000 1.163 242 A HN 0.747 nan 8.150 nan 0.000 0.499 243 E N 2.814 123.028 120.200 0.023 0.000 2.174 243 E HA 0.520 4.885 4.350 0.025 0.000 0.282 243 E C -1.349 175.229 176.600 -0.036 0.000 0.992 243 E CA -0.379 55.992 56.400 -0.048 0.000 0.803 243 E CB 1.117 30.740 29.700 -0.128 0.000 1.090 243 E HN 0.349 nan 8.360 nan 0.000 0.396 244 V N 5.011 124.918 119.914 -0.012 0.000 2.495 244 V HA 0.281 4.417 4.120 0.025 0.000 0.298 244 V C -0.373 175.798 176.094 0.128 0.000 1.031 244 V CA -0.739 61.603 62.300 0.070 0.000 0.871 244 V CB 1.576 33.413 31.823 0.024 0.000 0.988 244 V HN 0.759 nan 8.190 nan 0.000 0.432 245 Q N 4.253 124.137 119.800 0.139 0.000 2.345 245 Q HA 0.833 5.188 4.340 0.025 0.000 0.268 245 Q C -0.794 175.285 176.000 0.132 0.000 1.054 245 Q CA -0.884 54.996 55.803 0.128 0.000 0.835 245 Q CB 2.674 31.422 28.738 0.017 0.000 1.339 245 Q HN 0.811 nan 8.270 nan 0.000 0.447 246 M N -0.926 118.677 119.600 0.005 0.000 2.716 246 M HA 0.763 5.258 4.480 0.025 0.000 0.307 246 M C -1.326 174.884 176.300 -0.149 0.000 1.223 246 M CA -0.511 54.710 55.300 -0.132 0.000 0.871 246 M CB 1.567 33.899 32.600 -0.446 0.000 1.739 246 M HN 0.526 nan 8.290 nan 0.000 0.475 247 C N 0.634 119.855 119.300 -0.131 0.000 2.779 247 C HA 1.039 5.514 4.460 0.025 0.000 0.314 247 C C 0.625 175.538 174.990 -0.129 0.000 1.231 247 C CA 0.587 59.541 59.018 -0.106 0.000 1.652 247 C CB 1.078 28.784 27.740 -0.057 0.000 2.198 247 C HN 1.405 nan 8.230 nan 0.000 0.483 248 G N 1.472 110.206 108.800 -0.110 0.000 2.409 248 G HA2 0.041 4.017 3.960 0.025 0.000 0.421 248 G HA3 0.041 4.017 3.960 0.025 0.000 0.421 248 G C -1.104 173.725 174.900 -0.119 0.000 1.259 248 G CA -0.442 44.596 45.100 -0.103 0.000 1.011 248 G HN 0.908 nan 8.290 nan 0.000 0.497 249 E N 0.228 120.365 120.200 -0.105 0.000 2.194 249 E HA 0.442 4.807 4.350 0.025 0.000 0.284 249 E C 0.282 176.780 176.600 -0.170 0.000 1.035 249 E CA -0.550 55.782 56.400 -0.113 0.000 0.836 249 E CB 0.476 30.134 29.700 -0.070 0.000 1.070 249 E HN 0.464 nan 8.360 nan 0.000 0.401 250 L N 5.065 126.177 121.223 -0.184 0.000 2.455 250 L HA 0.171 4.526 4.340 0.025 0.000 0.272 250 L C 0.593 177.323 176.870 -0.233 0.000 1.174 250 L CA 0.322 55.025 54.840 -0.228 0.000 0.869 250 L CB 0.241 42.189 42.059 -0.184 0.000 1.130 250 L HN 0.414 nan 8.230 nan 0.000 0.474 251 R N 1.855 122.158 120.500 -0.327 0.000 2.725 251 R HA 0.187 4.543 4.340 0.025 0.000 0.277 251 R C -0.180 175.860 176.300 -0.432 0.000 0.987 251 R CA -0.815 55.003 56.100 -0.470 0.000 0.901 251 R CB 1.658 31.385 30.300 -0.956 0.000 1.207 251 R HN 0.514 nan 8.270 nan 0.000 0.463 252 D N 1.020 121.251 120.400 -0.283 0.000 2.263 252 D HA -0.150 4.505 4.640 0.025 0.000 0.208 252 D C 1.416 177.666 176.300 -0.085 0.000 0.971 252 D CA 1.601 55.526 54.000 -0.126 0.000 0.867 252 D CB 0.092 40.873 40.800 -0.032 0.000 0.929 252 D HN 0.567 nan 8.370 nan 0.000 0.492 253 Y N -0.304 120.007 120.300 0.019 0.000 2.529 253 Y HA 0.307 4.872 4.550 0.026 0.000 0.290 253 Y C 0.695 176.597 175.900 0.004 0.000 1.177 253 Y CA -0.551 57.557 58.100 0.013 0.000 1.305 253 Y CB -0.906 37.563 38.460 0.014 0.000 1.047 253 Y HN -0.193 nan 8.280 nan 0.000 0.522 254 L N 2.476 123.659 121.223 -0.067 0.000 2.436 254 L HA 0.364 4.720 4.340 0.025 0.000 0.265 254 L C 0.224 177.087 176.870 -0.011 0.000 1.168 254 L CA -0.269 54.597 54.840 0.043 0.000 0.815 254 L CB 0.605 42.707 42.059 0.072 0.000 1.109 254 L HN 0.163 nan 8.230 nan 0.000 0.462 255 R N 1.604 121.987 120.500 -0.195 0.000 2.799 255 R HA 0.671 5.026 4.340 0.025 0.000 0.270 255 R C -1.526 174.460 176.300 -0.524 0.000 1.010 255 R CA -0.811 55.035 56.100 -0.422 0.000 0.916 255 R CB 2.154 32.043 30.300 -0.684 0.000 1.228 255 R HN 0.260 nan 8.270 nan 0.000 0.469 256 V N 0.973 120.615 119.914 -0.453 0.000 2.540 256 V HA 0.453 4.588 4.120 0.025 0.000 0.302 256 V C -0.339 175.706 176.094 -0.081 0.000 1.035 256 V CA -0.550 61.580 62.300 -0.284 0.000 0.873 256 V CB 2.278 33.862 31.823 -0.398 0.000 0.992 256 V HN 0.712 nan 8.190 nan 0.000 0.428 257 T N 4.238 118.855 114.554 0.105 0.000 2.779 257 T HA 0.597 4.962 4.350 0.025 0.000 0.280 257 T C -0.520 174.194 174.700 0.023 0.000 0.987 257 T CA -0.337 61.829 62.100 0.110 0.000 0.966 257 T CB 1.522 70.487 68.868 0.162 0.000 0.933 257 T HN 0.342 nan 8.240 nan 0.000 0.442 258 V N 3.927 123.836 119.914 -0.009 0.000 2.448 258 V HA 0.667 4.803 4.120 0.025 0.000 0.295 258 V C 0.075 176.168 176.094 -0.003 0.000 1.025 258 V CA -0.787 61.505 62.300 -0.014 0.000 0.859 258 V CB 1.677 33.482 31.823 -0.030 0.000 0.988 258 V HN 1.035 nan 8.190 nan 0.000 0.431 259 S N 5.310 121.030 115.700 0.034 0.000 2.513 259 S HA 0.857 5.343 4.470 0.025 0.000 0.299 259 S C -1.109 173.515 174.600 0.041 0.000 1.087 259 S CA -0.747 57.449 58.200 -0.005 0.000 1.012 259 S CB 2.058 65.272 63.200 0.024 0.000 1.044 259 S HN 0.563 nan 8.310 nan 0.000 0.485 260 L N 2.549 123.711 121.223 -0.102 0.000 2.341 260 L HA 0.812 5.167 4.340 0.025 0.000 0.278 260 L C -1.922 174.905 176.870 -0.073 0.000 1.005 260 L CA -0.262 54.611 54.840 0.055 0.000 0.818 260 L CB 0.965 43.074 42.059 0.082 0.000 1.259 260 L HN 0.901 nan 8.230 nan 0.000 0.418 261 W N 3.587 124.993 121.300 0.177 0.000 2.844 261 W HA 0.603 5.278 4.660 0.025 0.000 0.340 261 W C -0.573 176.029 176.519 0.139 0.000 1.093 261 W CA -0.511 56.911 57.345 0.128 0.000 1.212 261 W CB 1.422 30.909 29.460 0.045 0.000 1.422 261 W HN 0.285 nan 8.180 nan 0.000 0.515 262 Q N 2.125 122.073 119.800 0.246 0.000 2.401 262 Q HA 0.440 4.795 4.340 0.025 0.000 0.260 262 Q C 0.591 176.598 176.000 0.012 0.000 1.034 262 Q CA 0.478 56.228 55.803 -0.088 0.000 0.737 262 Q CB 1.180 29.782 28.738 -0.228 0.000 1.227 262 Q HN 0.803 nan 8.270 nan 0.000 0.488 263 G N 4.157 112.966 108.800 0.015 0.000 2.583 263 G HA2 -0.312 3.663 3.960 0.025 0.000 0.292 263 G HA3 -0.312 3.663 3.960 0.025 0.000 0.292 263 G C 0.332 175.299 174.900 0.111 0.000 1.203 263 G CA 0.384 45.502 45.100 0.030 0.000 0.987 263 G HN 0.631 nan 8.290 nan 0.000 0.554 264 E N 1.141 121.406 120.200 0.108 0.000 2.479 264 E HA 0.165 4.530 4.350 0.025 0.000 0.193 264 E C 0.732 177.532 176.600 0.333 0.000 1.049 264 E CA 0.698 57.197 56.400 0.165 0.000 0.870 264 E CB 0.237 29.984 29.700 0.078 0.000 0.944 264 E HN 0.415 nan 8.360 nan 0.000 0.492 265 T N 1.766 116.485 114.554 0.275 0.000 2.767 265 T HA 0.150 4.515 4.350 0.025 0.000 0.288 265 T C 0.089 174.839 174.700 0.083 0.000 0.963 265 T CA -0.353 61.851 62.100 0.174 0.000 1.019 265 T CB 1.794 70.702 68.868 0.067 0.000 0.923 265 T HN -0.019 nan 8.240 nan 0.000 0.468 266 Q N 2.953 122.585 119.800 -0.280 0.000 2.295 266 Q HA 0.258 4.613 4.340 0.025 0.000 0.259 266 Q C 0.367 176.140 176.000 -0.380 0.000 0.976 266 Q CA -0.336 54.986 55.803 -0.802 0.000 0.923 266 Q CB 0.804 28.787 28.738 -1.259 0.000 1.185 266 Q HN 0.549 nan 8.270 nan 0.000 0.410 267 V N 2.870 122.617 119.914 -0.279 0.000 2.599 267 V HA 0.239 4.374 4.120 0.025 0.000 0.245 267 V C 0.337 176.343 176.094 -0.146 0.000 1.046 267 V CA 1.292 63.521 62.300 -0.118 0.000 1.065 267 V CB 0.324 32.168 31.823 0.035 0.000 0.703 267 V HN 0.811 nan 8.190 nan 0.000 0.464 268 A N -1.274 121.425 122.820 -0.202 0.000 2.601 268 A HA 0.766 5.101 4.320 0.025 0.000 0.291 268 A C -0.817 176.660 177.584 -0.178 0.000 1.075 268 A CA 0.083 52.027 52.037 -0.154 0.000 0.671 268 A CB 1.816 20.759 19.000 -0.094 0.000 1.277 268 A HN 0.085 nan 8.150 nan 0.000 0.417 269 S N -0.979 114.644 115.700 -0.127 0.000 2.537 269 S HA 0.795 5.280 4.470 0.025 0.000 0.271 269 S C -0.587 173.973 174.600 -0.066 0.000 1.148 269 S CA 0.251 58.387 58.200 -0.105 0.000 0.868 269 S CB 1.631 64.755 63.200 -0.126 0.000 1.115 269 S HN 2.369 nan 8.310 nan 0.000 0.461 270 G N 1.598 110.370 108.800 -0.046 0.000 2.706 270 G HA2 0.654 4.629 3.960 0.025 0.000 0.297 270 G HA3 0.654 4.629 3.960 0.025 0.000 0.297 270 G C -1.400 173.485 174.900 -0.025 0.000 1.403 270 G CA -0.424 44.654 45.100 -0.037 0.000 0.954 270 G HN 0.725 nan 8.290 nan 0.000 0.500 271 T N -0.195 114.347 114.554 -0.020 0.000 2.893 271 T HA 0.853 5.218 4.350 0.025 0.000 0.293 271 T C -0.390 174.279 174.700 -0.051 0.000 1.027 271 T CA -0.052 62.042 62.100 -0.010 0.000 0.988 271 T CB 1.853 70.751 68.868 0.052 0.000 1.043 271 T HN 1.560 nan 8.240 nan 0.000 0.461 272 A N 3.315 126.072 122.820 -0.106 0.000 2.604 272 A HA 0.896 5.231 4.320 0.025 0.000 0.295 272 A C -3.103 174.351 177.584 -0.217 0.000 1.067 272 A CA -1.592 50.364 52.037 -0.134 0.000 0.683 272 A CB 1.310 20.228 19.000 -0.137 0.000 1.281 272 A HN 0.530 nan 8.150 nan 0.000 0.407 273 P HA 0.508 nan 4.420 nan 0.000 0.276 273 P C -0.554 176.629 177.300 -0.194 0.000 1.261 273 P CA -0.216 62.800 63.100 -0.141 0.000 0.800 273 P CB 0.351 32.027 31.700 -0.040 0.000 1.066 274 F N -0.150 119.760 119.950 -0.068 0.000 2.444 274 F HA 0.479 5.021 4.527 0.025 0.000 0.331 274 F C 1.458 177.239 175.800 -0.032 0.000 1.167 274 F CA 1.453 59.424 58.000 -0.049 0.000 1.262 274 F CB 0.336 39.303 39.000 -0.056 0.000 1.196 274 F HN 0.572 nan 8.300 nan 0.000 0.583 275 G N 1.454 110.382 108.800 0.212 0.000 2.648 275 G HA2 0.349 4.324 3.960 0.025 0.000 0.317 275 G HA3 0.349 4.324 3.960 0.025 0.000 0.317 275 G C -0.506 174.445 174.900 0.086 0.000 1.216 275 G CA -0.726 44.449 45.100 0.125 0.000 1.210 275 G HN 1.031 nan 8.290 nan 0.000 0.583 276 G N 0.725 109.595 108.800 0.117 0.000 2.580 276 G HA2 0.686 4.661 3.960 0.025 0.000 0.278 276 G HA3 0.686 4.661 3.960 0.025 0.000 0.278 276 G C 0.486 175.428 174.900 0.070 0.000 1.212 276 G CA 0.051 45.209 45.100 0.096 0.000 0.939 276 G HN 1.074 nan 8.290 nan 0.000 0.513 277 E N -0.643 119.591 120.200 0.057 0.000 2.410 277 E HA 0.088 4.453 4.350 0.025 0.000 0.255 277 E C -0.204 176.422 176.600 0.043 0.000 1.194 277 E CA -0.699 55.724 56.400 0.039 0.000 0.955 277 E CB 0.530 30.248 29.700 0.030 0.000 0.988 277 E HN 0.080 nan 8.360 nan 0.000 0.461 278 I N 1.925 122.508 120.570 0.021 0.000 2.683 278 I HA -0.136 4.049 4.170 0.025 0.000 0.286 278 I C 1.199 177.326 176.117 0.017 0.000 1.175 278 I CA 0.140 61.445 61.300 0.008 0.000 1.429 278 I CB 0.052 38.052 38.000 0.000 0.000 1.371 278 I HN 0.658 nan 8.210 nan 0.000 0.569 279 I N 3.939 124.512 120.570 0.005 0.000 3.300 279 I HA 0.057 4.242 4.170 0.025 0.000 0.279 279 I C 0.590 176.707 176.117 0.000 0.000 1.172 279 I CA 0.857 62.169 61.300 0.020 0.000 1.431 279 I CB -0.386 37.627 38.000 0.022 0.000 1.240 279 I HN 0.641 nan 8.210 nan 0.000 0.453 280 D N -1.272 119.114 120.400 -0.024 0.000 2.946 280 D HA 0.104 4.759 4.640 0.025 0.000 0.337 280 D C 0.345 176.628 176.300 -0.028 0.000 1.332 280 D CA -0.392 53.595 54.000 -0.021 0.000 0.935 280 D CB 0.523 41.311 40.800 -0.021 0.000 1.440 280 D HN -0.262 nan 8.370 nan 0.000 0.540 281 E N -1.029 119.157 120.200 -0.024 0.000 2.265 281 E HA -0.020 4.346 4.350 0.025 0.000 0.196 281 E C 1.369 177.950 176.600 -0.032 0.000 0.996 281 E CA 0.893 57.280 56.400 -0.023 0.000 0.832 281 E CB -0.023 29.666 29.700 -0.018 0.000 0.756 281 E HN 0.208 nan 8.360 nan 0.000 0.491 282 R N -0.305 120.168 120.500 -0.045 0.000 2.317 282 R HA 0.270 4.625 4.340 0.025 0.000 0.208 282 R C 0.850 177.108 176.300 -0.070 0.000 0.914 282 R CA 0.723 56.789 56.100 -0.057 0.000 1.060 282 R CB 0.568 30.828 30.300 -0.067 0.000 1.015 282 R HN 0.213 nan 8.270 nan 0.000 0.498 283 G N -0.650 108.109 108.800 -0.067 0.000 2.358 283 G HA2 -0.091 3.884 3.960 0.025 0.000 0.198 283 G HA3 -0.091 3.884 3.960 0.025 0.000 0.198 283 G C -0.270 174.576 174.900 -0.090 0.000 1.220 283 G CA -0.617 44.443 45.100 -0.067 0.000 1.187 283 G HN 0.459 nan 8.290 nan 0.000 0.544 284 G N -1.954 106.789 108.800 -0.096 0.000 3.176 284 G HA2 0.647 4.622 3.960 0.025 0.000 0.272 284 G HA3 0.647 4.622 3.960 0.025 0.000 0.272 284 G C -1.589 173.202 174.900 -0.182 0.000 1.349 284 G CA -0.737 44.307 45.100 -0.093 0.000 0.953 284 G HN 0.766 nan 8.290 nan 0.000 0.559 285 Y N 0.980 121.288 120.300 0.014 0.000 2.477 285 Y HA 0.431 4.996 4.550 0.025 0.000 0.349 285 Y C 1.436 177.355 175.900 0.031 0.000 0.977 285 Y CA 0.092 58.203 58.100 0.017 0.000 1.214 285 Y CB 1.736 40.210 38.460 0.024 0.000 1.124 285 Y HN 0.543 nan 8.280 nan 0.000 0.521 286 A N 1.792 124.675 122.820 0.106 0.000 2.067 286 A HA -0.149 4.186 4.320 0.025 0.000 0.219 286 A C 1.414 179.056 177.584 0.097 0.000 1.158 286 A CA 1.461 53.546 52.037 0.079 0.000 0.661 286 A CB -0.281 18.726 19.000 0.012 0.000 0.801 286 A HN 0.797 nan 8.150 nan 0.000 0.452 287 D N -0.842 119.616 120.400 0.097 0.000 2.358 287 D HA 0.121 4.777 4.640 0.025 0.000 0.224 287 D C 0.477 176.864 176.300 0.144 0.000 1.123 287 D CA -0.040 53.944 54.000 -0.026 0.000 0.833 287 D CB -0.042 40.722 40.800 -0.060 0.000 0.946 287 D HN 0.395 nan 8.370 nan 0.000 0.505 288 R N -0.798 119.898 120.500 0.326 0.000 2.836 288 R HA 0.738 5.093 4.340 0.025 0.000 0.269 288 R C -1.584 174.873 176.300 0.262 0.000 1.010 288 R CA -1.142 55.145 56.100 0.312 0.000 0.930 288 R CB 3.000 33.342 30.300 0.070 0.000 1.218 288 R HN -0.018 nan 8.270 nan 0.000 0.473 289 V N 0.294 120.246 119.914 0.064 0.000 3.012 289 V HA 0.517 4.652 4.120 0.025 0.000 0.307 289 V C -1.453 174.589 176.094 -0.086 0.000 1.166 289 V CA -0.296 61.952 62.300 -0.087 0.000 0.974 289 V CB 2.754 34.382 31.823 -0.325 0.000 1.040 289 V HN 0.809 nan 8.190 nan 0.000 0.428 290 T N 7.287 121.799 114.554 -0.069 0.000 2.786 290 T HA 0.578 4.944 4.350 0.025 0.000 0.283 290 T C -0.909 173.754 174.700 -0.062 0.000 0.992 290 T CA -0.382 61.685 62.100 -0.055 0.000 0.954 290 T CB 1.000 69.848 68.868 -0.034 0.000 0.934 290 T HN 0.431 nan 8.240 nan 0.000 0.440 291 L N 3.756 124.944 121.223 -0.060 0.000 2.322 291 L HA 0.581 4.937 4.340 0.025 0.000 0.279 291 L C 0.437 177.282 176.870 -0.042 0.000 1.036 291 L CA -0.407 54.399 54.840 -0.056 0.000 0.807 291 L CB 1.373 43.397 42.059 -0.058 0.000 1.226 291 L HN 0.547 nan 8.230 nan 0.000 0.433 292 R N 4.409 124.884 120.500 -0.041 0.000 2.476 292 R HA 0.686 5.041 4.340 0.025 0.000 0.305 292 R C -1.221 175.055 176.300 -0.040 0.000 0.965 292 R CA -0.724 55.352 56.100 -0.040 0.000 0.867 292 R CB 2.116 32.392 30.300 -0.040 0.000 1.176 292 R HN 0.467 nan 8.270 nan 0.000 0.447 293 L N 2.716 123.917 121.223 -0.037 0.000 2.362 293 L HA 0.446 4.802 4.340 0.025 0.000 0.275 293 L C -0.451 176.397 176.870 -0.038 0.000 0.998 293 L CA -1.069 53.749 54.840 -0.036 0.000 0.820 293 L CB 2.072 44.114 42.059 -0.028 0.000 1.270 293 L HN 0.500 nan 8.230 nan 0.000 0.415 294 N N 1.398 120.069 118.700 -0.048 0.000 2.499 294 N HA 0.488 5.244 4.740 0.025 0.000 0.281 294 N C -1.092 174.374 175.510 -0.073 0.000 1.098 294 N CA -0.308 52.708 53.050 -0.057 0.000 0.979 294 N CB 1.844 40.300 38.487 -0.052 0.000 1.121 294 N HN 0.192 nan 8.380 nan 0.000 0.466 295 V N 1.771 121.625 119.914 -0.100 0.000 2.482 295 V HA 0.262 4.398 4.120 0.025 0.000 0.295 295 V C -0.490 175.521 176.094 -0.139 0.000 1.026 295 V CA -0.832 61.369 62.300 -0.165 0.000 0.856 295 V CB 1.438 33.052 31.823 -0.347 0.000 1.001 295 V HN 0.564 nan 8.190 nan 0.000 0.424 296 E N 2.918 123.062 120.200 -0.092 0.000 2.249 296 E HA 0.327 4.692 4.350 0.025 0.000 0.280 296 E C 0.283 176.859 176.600 -0.041 0.000 1.016 296 E CA -0.377 55.992 56.400 -0.051 0.000 0.830 296 E CB 0.745 30.426 29.700 -0.032 0.000 1.081 296 E HN 0.746 nan 8.360 nan 0.000 0.395 297 N N 1.120 119.816 118.700 -0.006 0.000 2.705 297 N HA -0.152 4.603 4.740 0.025 0.000 0.255 297 N C -2.450 173.062 175.510 0.003 0.000 1.008 297 N CA 0.159 53.221 53.050 0.020 0.000 0.742 297 N CB -1.064 37.438 38.487 0.025 0.000 0.906 297 N HN 0.327 nan 8.380 nan 0.000 0.541 298 P HA -0.030 nan 4.420 nan 0.000 0.267 298 P C -0.398 176.938 177.300 0.059 0.000 1.200 298 P CA 0.441 63.449 63.100 -0.155 0.000 0.772 298 P CB 0.723 32.137 31.700 -0.478 0.000 0.855 299 K N 2.492 123.015 120.400 0.205 0.000 2.312 299 K HA 0.294 4.629 4.320 0.025 0.000 0.287 299 K C 0.226 176.989 176.600 0.272 0.000 1.062 299 K CA -0.425 55.979 56.287 0.194 0.000 0.934 299 K CB 0.286 32.885 32.500 0.165 0.000 1.027 299 K HN 0.429 nan 8.250 nan 0.000 0.478 300 L N 2.630 123.946 121.223 0.154 0.000 2.395 300 L HA 0.285 4.640 4.340 0.025 0.000 0.269 300 L C -0.033 176.923 176.870 0.142 0.000 1.133 300 L CA -0.770 54.161 54.840 0.152 0.000 0.812 300 L CB 0.445 42.436 42.059 -0.114 0.000 1.125 300 L HN 0.611 nan 8.230 nan 0.000 0.452 301 W N 3.187 124.521 121.300 0.058 0.000 2.376 301 W HA 0.483 5.157 4.660 0.024 0.000 0.322 301 W C -0.031 176.439 176.519 -0.081 0.000 1.160 301 W CA 0.080 57.445 57.345 0.033 0.000 1.218 301 W CB 1.338 30.869 29.460 0.118 0.000 1.205 301 W HN 0.606 nan 8.180 nan 0.000 0.559 302 S N 2.796 117.948 115.700 -0.912 0.000 2.643 302 S HA 0.639 5.124 4.470 0.025 0.000 0.270 302 S C 0.017 173.831 174.600 -1.310 0.000 1.166 302 S CA -0.367 57.333 58.200 -0.832 0.000 0.815 302 S CB 1.105 64.094 63.200 -0.351 0.000 1.139 302 S HN 1.015 nan 8.310 nan 0.000 0.472 303 A N 0.264 122.495 122.820 -0.981 0.000 2.066 303 A HA 0.112 4.447 4.320 0.025 0.000 0.218 303 A C 1.722 178.997 177.584 -0.514 0.000 1.157 303 A CA 1.240 52.712 52.037 -0.942 0.000 0.670 303 A CB -0.864 17.465 19.000 -1.119 0.000 0.804 303 A HN 0.853 nan 8.150 nan 0.000 0.453 304 E N -0.669 119.364 120.200 -0.279 0.000 2.072 304 E HA 0.061 4.426 4.350 0.025 0.000 0.190 304 E C -0.215 176.259 176.600 -0.210 0.000 0.982 304 E CA 0.700 57.000 56.400 -0.166 0.000 0.803 304 E CB 0.036 29.767 29.700 0.052 0.000 0.755 304 E HN 0.585 nan 8.360 nan 0.000 0.453 305 I N 1.878 122.297 120.570 -0.251 0.000 2.542 305 I HA 0.162 4.347 4.170 0.025 0.000 0.278 305 I C -2.486 173.415 176.117 -0.359 0.000 1.069 305 I CA -1.872 59.297 61.300 -0.217 0.000 1.100 305 I CB 2.139 40.063 38.000 -0.126 0.000 1.204 305 I HN -0.210 nan 8.210 nan 0.000 0.470 306 P HA 0.087 nan 4.420 nan 0.000 0.226 306 P C -0.552 176.744 177.300 -0.006 0.000 1.783 306 P CA -0.265 62.536 63.100 -0.497 0.000 0.980 306 P CB -0.265 31.312 31.700 -0.205 0.000 1.967 307 N N 1.636 120.356 118.700 0.033 0.000 2.454 307 N HA 0.112 4.867 4.740 0.025 0.000 0.260 307 N C 0.103 175.842 175.510 0.381 0.000 1.218 307 N CA 0.512 53.657 53.050 0.158 0.000 0.904 307 N CB 0.721 39.298 38.487 0.151 0.000 1.065 307 N HN 0.303 nan 8.380 nan 0.000 0.462 308 L N 2.304 123.676 121.223 0.249 0.000 2.354 308 L HA 0.480 4.835 4.340 0.025 0.000 0.264 308 L C -0.818 176.157 176.870 0.175 0.000 1.008 308 L CA -0.857 54.176 54.840 0.321 0.000 0.819 308 L CB 1.311 43.516 42.059 0.244 0.000 1.339 308 L HN 0.385 nan 8.230 nan 0.000 0.420 309 Y N 0.239 120.694 120.300 0.258 0.000 2.650 309 Y HA 0.661 5.226 4.550 0.026 0.000 0.331 309 Y C -0.214 175.807 175.900 0.203 0.000 1.082 309 Y CA -0.874 57.378 58.100 0.253 0.000 1.171 309 Y CB 1.624 40.299 38.460 0.358 0.000 1.326 309 Y HN 0.370 nan 8.280 nan 0.000 0.513 310 R N 1.027 121.755 120.500 0.380 0.000 2.393 310 R HA 0.789 5.144 4.340 0.025 0.000 0.315 310 R C -1.587 174.896 176.300 0.305 0.000 0.952 310 R CA -0.517 55.738 56.100 0.259 0.000 0.842 310 R CB 1.005 31.394 30.300 0.148 0.000 1.163 310 R HN 0.739 nan 8.270 nan 0.000 0.450 311 A N 3.936 126.884 122.820 0.213 0.000 2.276 311 A HA 0.592 4.927 4.320 0.025 0.000 0.316 311 A C -0.956 176.686 177.584 0.095 0.000 1.229 311 A CA -0.617 51.522 52.037 0.169 0.000 0.851 311 A CB 1.143 20.213 19.000 0.118 0.000 1.165 311 A HN 0.493 nan 8.150 nan 0.000 0.513 312 V N 3.674 123.649 119.914 0.102 0.000 2.409 312 V HA 0.353 4.488 4.120 0.025 0.000 0.291 312 V C -0.350 175.723 176.094 -0.034 0.000 1.020 312 V CA -0.478 61.828 62.300 0.010 0.000 0.848 312 V CB 1.577 33.433 31.823 0.055 0.000 0.990 312 V HN 0.612 nan 8.190 nan 0.000 0.430 313 V N 5.035 124.864 119.914 -0.142 0.000 2.328 313 V HA 0.410 4.545 4.120 0.025 0.000 0.278 313 V C 0.010 176.052 176.094 -0.088 0.000 1.021 313 V CA -0.533 61.660 62.300 -0.177 0.000 0.838 313 V CB 1.210 32.770 31.823 -0.439 0.000 0.999 313 V HN 0.908 nan 8.190 nan 0.000 0.447 314 E N 3.684 123.884 120.200 -0.001 0.000 2.166 314 E HA 0.509 4.874 4.350 0.025 0.000 0.275 314 E C -1.058 175.629 176.600 0.144 0.000 0.941 314 E CA -0.897 55.550 56.400 0.077 0.000 0.784 314 E CB 2.483 32.250 29.700 0.112 0.000 1.115 314 E HN 0.441 nan 8.360 nan 0.000 0.399 315 L N 4.591 125.884 121.223 0.117 0.000 2.272 315 L HA 0.387 4.742 4.340 0.025 0.000 0.289 315 L C -0.952 176.027 176.870 0.181 0.000 1.032 315 L CA 0.106 55.011 54.840 0.108 0.000 0.810 315 L CB 0.031 42.138 42.059 0.080 0.000 1.205 315 L HN 0.686 nan 8.230 nan 0.000 0.422 316 H N 0.230 119.343 119.070 0.072 0.000 2.933 316 H HA 0.800 5.371 4.556 0.025 0.000 0.310 316 H C -0.749 174.651 175.328 0.120 0.000 1.351 316 H CA -0.525 55.568 56.048 0.075 0.000 1.137 316 H CB 0.771 30.558 29.762 0.043 0.000 1.853 316 H HN 0.493 nan 8.280 nan 0.000 0.539 317 T N -2.247 112.453 114.554 0.245 0.000 2.927 317 T HA 0.563 4.928 4.350 0.025 0.000 0.281 317 T C 1.350 176.195 174.700 0.240 0.000 0.998 317 T CA -0.415 61.814 62.100 0.216 0.000 1.019 317 T CB 1.555 70.498 68.868 0.125 0.000 1.061 317 T HN 0.920 nan 8.240 nan 0.000 0.518 318 A N 1.057 123.986 122.820 0.180 0.000 2.019 318 A HA -0.061 4.274 4.320 0.025 0.000 0.219 318 A C 1.836 179.494 177.584 0.124 0.000 1.164 318 A CA 1.674 53.802 52.037 0.152 0.000 0.644 318 A CB -1.035 18.040 19.000 0.125 0.000 0.805 318 A HN 0.975 nan 8.150 nan 0.000 0.449 319 D N -2.043 118.403 120.400 0.077 0.000 2.363 319 D HA 0.254 4.909 4.640 0.025 0.000 0.226 319 D C 1.095 177.424 176.300 0.048 0.000 1.020 319 D CA 0.963 54.986 54.000 0.037 0.000 0.892 319 D CB -0.553 40.238 40.800 -0.015 0.000 0.900 319 D HN 0.821 nan 8.370 nan 0.000 0.531 320 G N -0.981 107.881 108.800 0.104 0.000 2.138 320 G HA2 -0.199 3.776 3.960 0.025 0.000 0.193 320 G HA3 -0.199 3.776 3.960 0.025 0.000 0.193 320 G C 0.096 175.018 174.900 0.037 0.000 0.998 320 G CA 0.057 45.187 45.100 0.050 0.000 0.668 320 G HN 0.411 nan 8.290 nan 0.000 0.516 321 T N 1.299 115.897 114.554 0.075 0.000 2.771 321 T HA 0.550 4.916 4.350 0.025 0.000 0.291 321 T C 0.213 174.974 174.700 0.101 0.000 0.954 321 T CA -0.333 61.800 62.100 0.055 0.000 1.045 321 T CB 2.024 70.913 68.868 0.036 0.000 0.917 321 T HN 0.526 nan 8.240 nan 0.000 0.484 322 L N 4.595 125.856 121.223 0.064 0.000 2.367 322 L HA 0.367 4.722 4.340 0.025 0.000 0.275 322 L C 0.736 177.658 176.870 0.087 0.000 1.129 322 L CA 0.346 55.239 54.840 0.088 0.000 0.839 322 L CB 0.080 42.163 42.059 0.041 0.000 1.133 322 L HN 0.712 nan 8.230 nan 0.000 0.453 323 I N 2.630 123.264 120.570 0.107 0.000 2.512 323 I HA 0.116 4.301 4.170 0.025 0.000 0.247 323 I C 0.264 176.410 176.117 0.047 0.000 1.094 323 I CA 0.463 61.806 61.300 0.072 0.000 1.427 323 I CB 0.128 38.174 38.000 0.077 0.000 1.149 323 I HN 0.798 nan 8.210 nan 0.000 0.438 324 E N 0.104 120.334 120.200 0.050 0.000 2.422 324 E HA 0.709 5.074 4.350 0.025 0.000 0.280 324 E C -1.494 175.135 176.600 0.048 0.000 1.091 324 E CA -1.108 55.314 56.400 0.037 0.000 0.849 324 E CB 1.676 31.365 29.700 -0.020 0.000 1.353 324 E HN -0.017 nan 8.360 nan 0.000 0.449 325 A N 1.017 123.891 122.820 0.089 0.000 2.414 325 A HA 0.704 5.039 4.320 0.025 0.000 0.306 325 A C -0.964 176.740 177.584 0.199 0.000 1.054 325 A CA -0.710 51.386 52.037 0.098 0.000 0.724 325 A CB 1.666 20.723 19.000 0.095 0.000 1.267 325 A HN 0.501 nan 8.150 nan 0.000 0.418 326 E N -0.347 119.901 120.200 0.080 0.000 2.355 326 E HA 0.872 5.237 4.350 0.025 0.000 0.261 326 E C -0.423 176.233 176.600 0.092 0.000 0.943 326 E CA -0.416 56.093 56.400 0.182 0.000 0.806 326 E CB 2.333 32.015 29.700 -0.030 0.000 1.286 326 E HN 1.273 nan 8.360 nan 0.000 0.424 327 A N -0.307 122.667 122.820 0.258 0.000 2.544 327 A HA 0.671 5.006 4.320 0.025 0.000 0.291 327 A C -1.256 176.527 177.584 0.332 0.000 1.055 327 A CA -0.308 51.801 52.037 0.121 0.000 0.651 327 A CB 0.534 19.536 19.000 0.003 0.000 1.296 327 A HN 0.870 nan 8.150 nan 0.000 0.431 328 C N -0.684 118.765 119.300 0.248 0.000 3.311 328 C HA 0.814 5.290 4.460 0.025 0.000 0.325 328 C C -1.367 173.722 174.990 0.165 0.000 1.352 328 C CA -0.928 58.237 59.018 0.246 0.000 1.308 328 C CB 1.105 29.009 27.740 0.273 0.000 1.619 328 C HN 0.822 nan 8.230 nan 0.000 0.469 329 D N 1.093 121.573 120.400 0.134 0.000 2.350 329 D HA 0.533 5.188 4.640 0.025 0.000 0.249 329 D C -0.356 175.999 176.300 0.091 0.000 1.119 329 D CA 0.215 54.292 54.000 0.130 0.000 0.886 329 D CB 1.771 42.650 40.800 0.132 0.000 1.195 329 D HN 0.547 nan 8.370 nan 0.000 0.437 330 V N 1.284 121.280 119.914 0.137 0.000 2.540 330 V HA 0.660 4.795 4.120 0.025 0.000 0.302 330 V C 0.562 176.728 176.094 0.120 0.000 1.035 330 V CA -0.856 61.475 62.300 0.051 0.000 0.873 330 V CB 2.043 33.873 31.823 0.012 0.000 0.992 330 V HN 0.603 nan 8.190 nan 0.000 0.428 331 G N 3.123 111.885 108.800 -0.064 0.000 2.502 331 G HA2 0.605 4.580 3.960 0.025 0.000 0.311 331 G HA3 0.605 4.580 3.960 0.025 0.000 0.311 331 G C -0.977 173.994 174.900 0.118 0.000 1.270 331 G CA -0.411 44.740 45.100 0.086 0.000 0.948 331 G HN 0.436 nan 8.290 nan 0.000 0.487 332 F N 4.146 124.284 119.950 0.314 0.000 2.462 332 F HA 0.405 4.947 4.527 0.025 0.000 0.360 332 F C 1.181 177.221 175.800 0.401 0.000 1.134 332 F CA -0.011 58.241 58.000 0.420 0.000 1.148 332 F CB 0.565 39.816 39.000 0.419 0.000 1.147 332 F HN 0.448 nan 8.300 nan 0.000 0.550 333 R N 2.981 123.749 120.500 0.447 0.000 2.663 333 R HA 0.412 4.767 4.340 0.025 0.000 0.267 333 R C -1.835 174.605 176.300 0.234 0.000 1.038 333 R CA -0.810 55.394 56.100 0.172 0.000 0.886 333 R CB 1.553 32.002 30.300 0.249 0.000 1.249 333 R HN 0.570 nan 8.270 nan 0.000 0.463 334 E N 2.033 122.276 120.200 0.071 0.000 2.187 334 E HA 0.489 4.855 4.350 0.025 0.000 0.268 334 E C -1.252 175.416 176.600 0.112 0.000 0.896 334 E CA -0.935 55.593 56.400 0.212 0.000 0.766 334 E CB 2.136 32.053 29.700 0.361 0.000 1.142 334 E HN 0.392 nan 8.360 nan 0.000 0.408 335 V N 5.485 125.461 119.914 0.104 0.000 2.487 335 V HA 0.573 4.708 4.120 0.025 0.000 0.298 335 V C -0.268 175.865 176.094 0.065 0.000 1.028 335 V CA -0.642 61.690 62.300 0.054 0.000 0.860 335 V CB 1.328 33.163 31.823 0.019 0.000 0.991 335 V HN 0.745 nan 8.190 nan 0.000 0.427 336 R N 4.279 124.814 120.500 0.058 0.000 2.710 336 R HA 0.730 5.085 4.340 0.025 0.000 0.270 336 R C -2.075 174.252 176.300 0.045 0.000 1.021 336 R CA -0.926 55.212 56.100 0.063 0.000 0.889 336 R CB 1.991 32.344 30.300 0.088 0.000 1.243 336 R HN 0.512 nan 8.270 nan 0.000 0.464 337 I N 1.286 121.883 120.570 0.045 0.000 2.354 337 I HA 0.352 4.537 4.170 0.025 0.000 0.292 337 I C -0.502 175.639 176.117 0.039 0.000 0.989 337 I CA -0.445 60.875 61.300 0.034 0.000 1.188 337 I CB 1.823 39.845 38.000 0.036 0.000 1.342 337 I HN 0.672 nan 8.210 nan 0.000 0.457 338 E N 6.302 126.522 120.200 0.032 0.000 2.278 338 E HA 0.201 4.566 4.350 0.025 0.000 0.272 338 E C -0.430 176.184 176.600 0.024 0.000 0.890 338 E CA -0.562 55.859 56.400 0.034 0.000 0.770 338 E CB 1.232 30.958 29.700 0.044 0.000 1.212 338 E HN 0.602 nan 8.360 nan 0.000 0.415 339 N N 3.054 121.768 118.700 0.023 0.000 2.725 339 N HA -0.241 4.515 4.740 0.025 0.000 0.249 339 N C 0.477 175.994 175.510 0.011 0.000 1.103 339 N CA 2.272 55.332 53.050 0.017 0.000 0.707 339 N CB -1.200 37.296 38.487 0.015 0.000 1.043 339 N HN 0.997 nan 8.380 nan 0.000 0.553 340 G N -2.406 106.401 108.800 0.011 0.000 2.175 340 G HA2 -0.260 3.716 3.960 0.025 0.000 0.244 340 G HA3 -0.260 3.716 3.960 0.025 0.000 0.244 340 G C -0.144 174.751 174.900 -0.007 0.000 0.982 340 G CA 0.378 45.480 45.100 0.004 0.000 0.641 340 G HN 0.442 nan 8.290 nan 0.000 0.527 341 L N 0.140 121.360 121.223 -0.006 0.000 2.362 341 L HA 0.696 5.051 4.340 0.025 0.000 0.271 341 L C 0.026 176.886 176.870 -0.018 0.000 1.002 341 L CA -1.316 53.512 54.840 -0.020 0.000 0.818 341 L CB 1.944 43.991 42.059 -0.020 0.000 1.298 341 L HN 0.105 nan 8.230 nan 0.000 0.420 342 L N 4.371 125.572 121.223 -0.037 0.000 2.315 342 L HA 0.403 4.758 4.340 0.025 0.000 0.283 342 L C -0.837 176.008 176.870 -0.042 0.000 1.089 342 L CA 0.422 55.240 54.840 -0.036 0.000 0.833 342 L CB 0.289 42.313 42.059 -0.057 0.000 1.170 342 L HN 0.371 nan 8.230 nan 0.000 0.442 343 L N 6.131 127.344 121.223 -0.015 0.000 2.329 343 L HA 0.520 4.875 4.340 0.025 0.000 0.279 343 L C -0.736 176.132 176.870 -0.003 0.000 1.014 343 L CA -0.777 54.061 54.840 -0.003 0.000 0.814 343 L CB 1.798 43.877 42.059 0.033 0.000 1.257 343 L HN 0.549 nan 8.230 nan 0.000 0.424 344 L N 4.363 125.590 121.223 0.007 0.000 2.319 344 L HA 0.476 4.831 4.340 0.025 0.000 0.281 344 L C -0.183 176.680 176.870 -0.012 0.000 1.005 344 L CA 0.006 54.855 54.840 0.015 0.000 0.828 344 L CB 0.690 42.758 42.059 0.015 0.000 1.227 344 L HN 0.623 nan 8.230 nan 0.000 0.415 345 N N 3.984 122.527 118.700 -0.262 0.000 2.735 345 N HA -0.213 4.542 4.740 0.025 0.000 0.248 345 N C 0.895 175.980 175.510 -0.707 0.000 1.083 345 N CA 1.278 53.812 53.050 -0.859 0.000 0.703 345 N CB -1.430 36.480 38.487 -0.961 0.000 1.005 345 N HN 1.165 nan 8.380 nan 0.000 0.550 346 G N -2.018 106.675 108.800 -0.178 0.000 2.179 346 G HA2 -0.350 3.625 3.960 0.025 0.000 0.260 346 G HA3 -0.350 3.625 3.960 0.025 0.000 0.260 346 G C -0.076 174.847 174.900 0.039 0.000 0.977 346 G CA 0.911 46.047 45.100 0.059 0.000 0.641 346 G HN 0.408 nan 8.290 nan 0.000 0.533 347 K N 0.702 121.119 120.400 0.029 0.000 2.259 347 K HA 0.549 4.884 4.320 0.025 0.000 0.252 347 K C -2.830 173.744 176.600 -0.043 0.000 0.936 347 K CA -2.272 54.001 56.287 -0.023 0.000 0.810 347 K CB 2.428 34.853 32.500 -0.125 0.000 1.143 347 K HN 0.035 nan 8.250 nan 0.000 0.427 348 P HA 0.197 nan 4.420 nan 0.000 0.276 348 P C -0.086 177.149 177.300 -0.108 0.000 1.253 348 P CA -0.220 62.834 63.100 -0.078 0.000 0.766 348 P CB 0.435 32.092 31.700 -0.070 0.000 0.845 349 L N 3.435 124.591 121.223 -0.113 0.000 2.464 349 L HA 0.242 4.597 4.340 0.025 0.000 0.264 349 L C 0.699 177.486 176.870 -0.139 0.000 1.199 349 L CA -0.503 54.258 54.840 -0.133 0.000 0.818 349 L CB 0.257 42.194 42.059 -0.203 0.000 1.102 349 L HN 0.265 nan 8.230 nan 0.000 0.473 350 L N 3.884 125.041 121.223 -0.110 0.000 2.401 350 L HA 0.403 4.758 4.340 0.025 0.000 0.263 350 L C -0.481 176.340 176.870 -0.081 0.000 1.004 350 L CA -0.212 54.550 54.840 -0.129 0.000 0.881 350 L CB 0.757 42.765 42.059 -0.084 0.000 1.219 350 L HN 0.252 nan 8.230 nan 0.000 0.441 351 I N 4.687 125.142 120.570 -0.192 0.000 2.421 351 I HA 0.167 4.352 4.170 0.025 0.000 0.291 351 I C 0.584 176.660 176.117 -0.068 0.000 1.089 351 I CA 0.260 61.460 61.300 -0.166 0.000 1.354 351 I CB 0.300 38.080 38.000 -0.367 0.000 1.413 351 I HN 0.546 nan 8.210 nan 0.000 0.513 352 R N 4.760 125.307 120.500 0.078 0.000 2.755 352 R HA 0.448 4.803 4.340 0.025 0.000 0.268 352 R C 0.498 176.913 176.300 0.191 0.000 1.295 352 R CA -0.268 55.922 56.100 0.150 0.000 1.379 352 R CB 0.920 31.131 30.300 -0.148 0.000 1.170 352 R HN 0.774 nan 8.270 nan 0.000 0.584 353 G N 0.151 109.035 108.800 0.141 0.000 2.509 353 G HA2 0.595 4.570 3.960 0.025 0.000 0.328 353 G HA3 0.595 4.570 3.960 0.025 0.000 0.328 353 G C -1.318 173.886 174.900 0.507 0.000 1.194 353 G CA -0.467 44.710 45.100 0.127 0.000 0.967 353 G HN 0.242 nan 8.290 nan 0.000 0.488 354 V N 0.049 120.238 119.914 0.458 0.000 2.932 354 V HA 0.455 4.590 4.120 0.025 0.000 0.307 354 V C -1.104 175.133 176.094 0.238 0.000 1.147 354 V CA -1.210 61.250 62.300 0.266 0.000 0.951 354 V CB 2.152 33.852 31.823 -0.206 0.000 1.031 354 V HN 0.768 nan 8.190 nan 0.000 0.426 355 N N 4.464 123.232 118.700 0.114 0.000 2.514 355 N HA 0.415 5.170 4.740 0.025 0.000 0.277 355 N C -0.688 174.663 175.510 -0.265 0.000 1.126 355 N CA -0.252 52.730 53.050 -0.113 0.000 0.978 355 N CB 1.378 39.739 38.487 -0.211 0.000 1.106 355 N HN 0.623 nan 8.380 nan 0.000 0.461 356 R N 2.126 122.435 120.500 -0.319 0.000 2.502 356 R HA 0.203 4.558 4.340 0.025 0.000 0.298 356 R C -0.863 175.228 176.300 -0.349 0.000 1.018 356 R CA -0.541 55.398 56.100 -0.269 0.000 0.899 356 R CB 0.798 30.910 30.300 -0.313 0.000 1.181 356 R HN 0.605 nan 8.270 nan 0.000 0.444 357 H N 2.023 120.969 119.070 -0.207 0.000 2.546 357 H HA 0.120 4.692 4.556 0.026 0.000 0.365 357 H C -0.454 174.878 175.328 0.007 0.000 1.220 357 H CA 0.147 56.153 56.048 -0.069 0.000 1.386 357 H CB 1.325 31.110 29.762 0.039 0.000 1.510 357 H HN 0.547 nan 8.280 nan 0.000 0.591 358 E N 1.614 122.007 120.200 0.323 0.000 1.963 358 E HA 0.116 4.481 4.350 0.025 0.000 0.274 358 E C -0.807 175.950 176.600 0.262 0.000 1.061 358 E CA -0.033 56.487 56.400 0.199 0.000 0.847 358 E CB 0.279 30.118 29.700 0.232 0.000 1.083 358 E HN 0.374 nan 8.360 nan 0.000 0.402 359 H N 1.633 120.771 119.070 0.113 0.000 2.954 359 H HA 0.252 4.823 4.556 0.025 0.000 0.361 359 H C -1.733 173.659 175.328 0.106 0.000 1.122 359 H CA -0.650 55.460 56.048 0.103 0.000 1.217 359 H CB 1.078 30.887 29.762 0.079 0.000 1.776 359 H HN 0.399 nan 8.280 nan 0.000 0.533 360 H N 6.081 124.759 119.070 -0.653 0.000 2.759 360 H HA 0.227 4.798 4.556 0.025 0.000 0.354 360 H C -2.365 172.595 175.328 -0.614 0.000 1.074 360 H CA -2.395 53.420 56.048 -0.387 0.000 1.226 360 H CB 2.821 32.501 29.762 -0.138 0.000 1.648 360 H HN 0.528 nan 8.280 nan 0.000 0.529 361 P HA -0.054 nan 4.420 nan 0.000 0.222 361 P C 1.091 178.285 177.300 -0.176 0.000 1.147 361 P CA 0.739 63.686 63.100 -0.255 0.000 0.790 361 P CB 0.844 32.432 31.700 -0.186 0.000 0.780 362 L N -2.083 119.137 121.223 -0.005 0.000 2.500 362 L HA 0.151 4.506 4.340 0.025 0.000 0.219 362 L C 2.062 178.719 176.870 -0.356 0.000 1.057 362 L CA 0.496 55.195 54.840 -0.236 0.000 0.854 362 L CB -0.547 41.236 42.059 -0.459 0.000 1.078 362 L HN -0.020 nan 8.230 nan 0.000 0.480 363 H N -0.486 118.571 119.070 -0.022 0.000 2.551 363 H HA 0.274 4.845 4.556 0.025 0.000 0.271 363 H C 1.451 176.673 175.328 -0.177 0.000 0.984 363 H CA 0.247 56.177 56.048 -0.197 0.000 1.164 363 H CB 0.447 29.967 29.762 -0.405 0.000 1.437 363 H HN 0.365 nan 8.280 nan 0.000 0.550 364 G N 1.412 110.119 108.800 -0.154 0.000 2.557 364 G HA2 -0.393 3.582 3.960 0.025 0.000 0.292 364 G HA3 -0.393 3.582 3.960 0.025 0.000 0.292 364 G C 0.712 175.519 174.900 -0.156 0.000 1.162 364 G CA 0.419 45.376 45.100 -0.238 0.000 0.964 364 G HN 0.460 nan 8.290 nan 0.000 0.541 365 Q N -0.137 119.610 119.800 -0.087 0.000 2.198 365 Q HA 0.461 4.816 4.340 0.025 0.000 0.209 365 Q C 0.328 176.435 176.000 0.178 0.000 0.848 365 Q CA -0.133 55.671 55.803 0.002 0.000 0.974 365 Q CB 1.392 30.014 28.738 -0.194 0.000 1.115 365 Q HN 0.367 nan 8.270 nan 0.000 0.494 366 V N 2.187 122.178 119.914 0.129 0.000 2.488 366 V HA 0.135 4.270 4.120 0.025 0.000 0.277 366 V C 0.213 176.348 176.094 0.068 0.000 1.046 366 V CA 0.307 62.681 62.300 0.124 0.000 0.986 366 V CB 0.848 32.677 31.823 0.011 0.000 0.989 366 V HN 0.312 nan 8.190 nan 0.000 0.475 367 M N 5.271 124.916 119.600 0.074 0.000 2.472 367 M HA 0.522 5.017 4.480 0.025 0.000 0.331 367 M C -0.433 175.808 176.300 -0.098 0.000 1.170 367 M CA -0.516 54.779 55.300 -0.009 0.000 1.009 367 M CB 1.894 34.448 32.600 -0.076 0.000 1.672 367 M HN 0.825 nan 8.290 nan 0.000 0.453 368 D N 0.056 120.410 120.400 -0.078 0.000 2.547 368 D HA 0.215 4.870 4.640 0.025 0.000 0.231 368 D C 0.085 176.361 176.300 -0.040 0.000 1.099 368 D CA -0.446 53.511 54.000 -0.073 0.000 0.901 368 D CB 1.935 42.710 40.800 -0.042 0.000 1.478 368 D HN 0.721 nan 8.370 nan 0.000 0.471 369 E N 0.183 120.372 120.200 -0.018 0.000 2.118 369 E HA -0.274 4.091 4.350 0.025 0.000 0.195 369 E C 1.722 178.363 176.600 0.069 0.000 0.992 369 E CA 1.332 57.752 56.400 0.033 0.000 0.804 369 E CB 0.186 29.922 29.700 0.059 0.000 0.741 369 E HN 0.504 nan 8.360 nan 0.000 0.458 370 Q N -0.386 119.455 119.800 0.069 0.000 2.084 370 Q HA -0.141 4.215 4.340 0.025 0.000 0.202 370 Q C 1.979 178.040 176.000 0.103 0.000 0.978 370 Q CA 1.951 57.806 55.803 0.086 0.000 0.844 370 Q CB 0.044 28.832 28.738 0.084 0.000 0.898 370 Q HN 0.313 nan 8.270 nan 0.000 0.426 371 T N 0.891 115.516 114.554 0.119 0.000 2.777 371 T HA -0.106 4.260 4.350 0.025 0.000 0.266 371 T C 1.878 176.663 174.700 0.141 0.000 1.040 371 T CA 1.244 63.430 62.100 0.144 0.000 1.141 371 T CB -0.124 68.862 68.868 0.197 0.000 0.868 371 T HN 0.281 nan 8.240 nan 0.000 0.444 372 M N 0.642 120.324 119.600 0.136 0.000 2.080 372 M HA -0.124 4.371 4.480 0.025 0.000 0.260 372 M C 2.463 178.887 176.300 0.206 0.000 1.068 372 M CA 1.470 56.917 55.300 0.245 0.000 1.109 372 M CB -0.701 32.064 32.600 0.274 0.000 1.342 372 M HN 0.106 nan 8.290 nan 0.000 0.405 373 V N 0.122 120.096 119.914 0.100 0.000 2.343 373 V HA -0.301 3.834 4.120 0.025 0.000 0.247 373 V C 2.312 178.394 176.094 -0.022 0.000 1.051 373 V CA 2.114 64.406 62.300 -0.012 0.000 1.036 373 V CB -0.864 30.985 31.823 0.043 0.000 0.654 373 V HN 0.559 nan 8.190 nan 0.000 0.451 374 Q N -0.263 119.574 119.800 0.061 0.000 2.061 374 Q HA -0.277 4.078 4.340 0.025 0.000 0.204 374 Q C 1.974 178.051 176.000 0.127 0.000 0.984 374 Q CA 2.234 58.090 55.803 0.089 0.000 0.846 374 Q CB -0.145 28.663 28.738 0.116 0.000 0.902 374 Q HN 0.617 nan 8.270 nan 0.000 0.421 375 D N 0.210 120.710 120.400 0.165 0.000 2.117 375 D HA -0.134 4.521 4.640 0.025 0.000 0.197 375 D C 1.887 178.162 176.300 -0.043 0.000 0.987 375 D CA 1.062 55.172 54.000 0.183 0.000 0.829 375 D CB -0.151 40.741 40.800 0.154 0.000 0.961 375 D HN 0.356 nan 8.370 nan 0.000 0.460 376 I N 0.515 121.040 120.570 -0.075 0.000 2.286 376 I HA -0.220 3.965 4.170 0.025 0.000 0.248 376 I C 2.348 178.327 176.117 -0.230 0.000 1.115 376 I CA 0.577 61.723 61.300 -0.256 0.000 1.392 376 I CB -0.024 37.700 38.000 -0.460 0.000 1.065 376 I HN -0.008 nan 8.210 nan 0.000 0.418 377 L N -0.045 121.077 121.223 -0.168 0.000 2.056 377 L HA -0.212 4.143 4.340 0.025 0.000 0.207 377 L C 2.484 179.416 176.870 0.103 0.000 1.078 377 L CA 1.253 56.081 54.840 -0.020 0.000 0.749 377 L CB -0.454 41.616 42.059 0.018 0.000 0.901 377 L HN 0.267 nan 8.230 nan 0.000 0.433 378 L N -1.083 120.227 121.223 0.145 0.000 2.083 378 L HA -0.230 4.125 4.340 0.025 0.000 0.209 378 L C 2.650 179.691 176.870 0.285 0.000 1.083 378 L CA 1.213 56.225 54.840 0.287 0.000 0.752 378 L CB -0.320 42.039 42.059 0.499 0.000 0.899 378 L HN 0.297 nan 8.230 nan 0.000 0.433 379 M N -0.498 119.096 119.600 -0.010 0.000 2.059 379 M HA -0.246 4.249 4.480 0.025 0.000 0.259 379 M C 2.344 178.744 176.300 0.168 0.000 1.072 379 M CA 1.904 57.138 55.300 -0.109 0.000 1.117 379 M CB -0.360 31.950 32.600 -0.484 0.000 1.320 379 M HN 0.077 nan 8.290 nan 0.000 0.408 380 K N 0.008 120.398 120.400 -0.018 0.000 2.063 380 K HA -0.208 4.127 4.320 0.025 0.000 0.208 380 K C 1.953 178.557 176.600 0.005 0.000 1.048 380 K CA 1.480 57.650 56.287 -0.195 0.000 0.928 380 K CB -0.275 31.910 32.500 -0.525 0.000 0.713 380 K HN 0.474 nan 8.250 nan 0.000 0.442 381 Q N 0.316 120.285 119.800 0.282 0.000 2.226 381 Q HA -0.057 4.298 4.340 0.025 0.000 0.204 381 Q C 0.894 177.189 176.000 0.492 0.000 0.975 381 Q CA 0.803 56.874 55.803 0.448 0.000 0.866 381 Q CB 0.095 29.055 28.738 0.371 0.000 0.915 381 Q HN 0.278 nan 8.270 nan 0.000 0.440 382 N N 0.622 119.566 118.700 0.407 0.000 2.279 382 N HA 0.051 4.806 4.740 0.025 0.000 0.226 382 N C -0.639 174.965 175.510 0.156 0.000 1.126 382 N CA 0.039 53.315 53.050 0.376 0.000 0.846 382 N CB 0.656 39.450 38.487 0.513 0.000 1.050 382 N HN 0.182 nan 8.380 nan 0.000 0.502 383 N N 0.026 118.828 118.700 0.170 0.000 2.782 383 N HA -0.185 4.570 4.740 0.025 0.000 0.251 383 N C -0.839 174.556 175.510 -0.192 0.000 1.101 383 N CA 0.795 53.880 53.050 0.058 0.000 0.764 383 N CB -1.742 36.702 38.487 -0.072 0.000 1.122 383 N HN 0.245 nan 8.380 nan 0.000 0.561 384 F N 1.196 121.163 119.950 0.029 0.000 2.379 384 F HA 0.322 4.863 4.527 0.025 0.000 0.332 384 F C 1.753 177.545 175.800 -0.013 0.000 1.096 384 F CA -0.596 57.404 58.000 0.000 0.000 1.105 384 F CB 0.840 39.814 39.000 -0.043 0.000 1.189 384 F HN 0.028 nan 8.300 nan 0.000 0.515 385 N N 0.658 119.469 118.700 0.184 0.000 2.170 385 N HA 0.445 5.201 4.740 0.025 0.000 0.222 385 N C -0.839 174.715 175.510 0.073 0.000 1.218 385 N CA -0.026 53.064 53.050 0.066 0.000 0.889 385 N CB 0.777 39.347 38.487 0.139 0.000 1.083 385 N HN 0.476 nan 8.380 nan 0.000 0.520 386 A N -0.563 122.380 122.820 0.205 0.000 2.594 386 A HA 0.752 5.087 4.320 0.025 0.000 0.295 386 A C -1.805 176.009 177.584 0.383 0.000 1.071 386 A CA -0.713 51.513 52.037 0.316 0.000 0.685 386 A CB 1.808 21.026 19.000 0.364 0.000 1.285 386 A HN 0.205 nan 8.150 nan 0.000 0.405 387 V N 1.181 121.372 119.914 0.462 0.000 2.888 387 V HA 0.785 4.921 4.120 0.025 0.000 0.309 387 V C -0.630 175.599 176.094 0.225 0.000 1.114 387 V CA -0.667 61.846 62.300 0.355 0.000 0.940 387 V CB 1.883 33.847 31.823 0.235 0.000 1.021 387 V HN 1.141 nan 8.190 nan 0.000 0.426 388 R N 4.937 125.419 120.500 -0.030 0.000 2.393 388 R HA 0.507 4.863 4.340 0.025 0.000 0.310 388 R C -0.844 175.313 176.300 -0.237 0.000 0.968 388 R CA -0.441 55.443 56.100 -0.360 0.000 0.867 388 R CB 1.197 31.028 30.300 -0.781 0.000 1.124 388 R HN 0.781 nan 8.270 nan 0.000 0.450 389 C N 4.507 123.694 119.300 -0.189 0.000 2.756 389 C HA 0.153 4.628 4.460 0.025 0.000 0.504 389 C C 0.419 175.128 174.990 -0.467 0.000 1.028 389 C CA -0.461 58.396 59.018 -0.267 0.000 1.167 389 C CB -1.842 25.853 27.740 -0.075 0.000 1.444 389 C HN 0.739 nan 8.230 nan 0.000 0.577 390 S N 1.847 117.140 115.700 -0.679 0.000 2.465 390 S HA 0.220 4.705 4.470 0.025 0.000 0.280 390 S C -0.209 173.464 174.600 -1.544 0.000 1.232 390 S CA 0.082 57.591 58.200 -1.151 0.000 1.066 390 S CB 0.148 62.610 63.200 -1.231 0.000 0.929 390 S HN 0.735 nan 8.310 nan 0.000 0.494 391 H N 3.787 122.245 119.070 -1.019 0.000 2.439 391 H HA 0.331 4.902 4.556 0.025 0.000 0.228 391 H C -1.214 173.987 175.328 -0.212 0.000 1.423 391 H CA -0.341 55.490 56.048 -0.361 0.000 1.386 391 H CB -0.061 29.698 29.762 -0.006 0.000 1.641 391 H HN 0.894 nan 8.280 nan 0.000 0.508 392 Y N -2.449 117.950 120.300 0.165 0.000 2.765 392 Y HA 0.368 4.933 4.550 0.026 0.000 0.350 392 Y C -3.318 172.691 175.900 0.180 0.000 1.196 392 Y CA -2.935 55.274 58.100 0.182 0.000 1.119 392 Y CB -0.003 38.570 38.460 0.189 0.000 1.368 392 Y HN -0.041 nan 8.280 nan 0.000 0.463 393 P HA 0.172 nan 4.420 nan 0.000 0.268 393 P C -0.628 176.964 177.300 0.487 0.000 1.205 393 P CA 0.100 63.451 63.100 0.419 0.000 0.771 393 P CB 0.607 32.486 31.700 0.299 0.000 0.858 394 N N 0.501 119.516 118.700 0.526 0.000 2.447 394 N HA 0.095 4.851 4.740 0.025 0.000 0.271 394 N C 0.101 175.887 175.510 0.460 0.000 1.226 394 N CA -0.575 52.710 53.050 0.393 0.000 0.980 394 N CB 0.367 38.894 38.487 0.066 0.000 1.206 394 N HN 0.600 nan 8.380 nan 0.000 0.558 395 H N 2.209 121.411 119.070 0.219 0.000 3.038 395 H HA -0.003 4.568 4.556 0.025 0.000 0.338 395 H C -1.599 173.920 175.328 0.318 0.000 1.041 395 H CA -0.707 55.451 56.048 0.183 0.000 1.394 395 H CB 0.974 30.804 29.762 0.113 0.000 1.357 395 H HN 0.425 nan 8.280 nan 0.000 0.600 396 P HA -0.205 nan 4.420 nan 0.000 0.217 396 P C 1.765 179.389 177.300 0.540 0.000 1.148 396 P CA 0.774 64.121 63.100 0.411 0.000 0.828 396 P CB 0.242 32.033 31.700 0.152 0.000 0.783 397 L N -1.195 120.417 121.223 0.648 0.000 2.291 397 L HA -0.002 4.354 4.340 0.025 0.000 0.214 397 L C 2.385 179.432 176.870 0.296 0.000 1.120 397 L CA 1.194 56.275 54.840 0.402 0.000 0.799 397 L CB -1.321 40.923 42.059 0.309 0.000 0.925 397 L HN 0.006 nan 8.230 nan 0.000 0.446 398 W N -0.488 120.862 121.300 0.082 0.000 2.338 398 W HA -0.327 4.348 4.660 0.024 0.000 0.304 398 W C 1.976 178.354 176.519 -0.235 0.000 1.212 398 W CA 1.843 59.094 57.345 -0.157 0.000 1.264 398 W CB -0.320 28.949 29.460 -0.318 0.000 1.142 398 W HN 0.271 nan 8.180 nan 0.000 0.512 399 Y N 0.872 121.109 120.300 -0.106 0.000 2.200 399 Y HA -0.213 4.352 4.550 0.025 0.000 0.290 399 Y C 2.850 178.530 175.900 -0.366 0.000 1.137 399 Y CA 2.203 60.022 58.100 -0.468 0.000 1.163 399 Y CB -1.290 36.539 38.460 -1.053 0.000 0.988 399 Y HN -0.221 nan 8.280 nan 0.000 0.518 400 T N 0.724 115.305 114.554 0.044 0.000 2.746 400 T HA -0.155 4.210 4.350 0.025 0.000 0.267 400 T C 1.993 176.732 174.700 0.065 0.000 1.039 400 T CA 1.401 63.595 62.100 0.157 0.000 1.142 400 T CB -0.550 68.445 68.868 0.212 0.000 0.866 400 T HN 0.244 nan 8.240 nan 0.000 0.444 401 L N 0.334 121.550 121.223 -0.012 0.000 2.056 401 L HA -0.085 4.270 4.340 0.025 0.000 0.207 401 L C 2.852 179.696 176.870 -0.044 0.000 1.078 401 L CA 0.885 55.739 54.840 0.022 0.000 0.749 401 L CB -0.763 41.256 42.059 -0.067 0.000 0.901 401 L HN 0.360 nan 8.230 nan 0.000 0.433 402 C N -0.224 118.877 119.300 -0.333 0.000 2.435 402 C HA -0.128 4.348 4.460 0.025 0.000 0.279 402 C C 2.408 177.438 174.990 0.066 0.000 1.321 402 C CA 0.349 59.214 59.018 -0.256 0.000 1.752 402 C CB -0.779 26.692 27.740 -0.448 0.000 1.959 402 C HN 0.534 nan 8.230 nan 0.000 0.500 403 D N 0.574 121.022 120.400 0.079 0.000 2.097 403 D HA -0.100 4.555 4.640 0.025 0.000 0.195 403 D C 2.409 178.918 176.300 0.348 0.000 0.989 403 D CA 1.237 55.357 54.000 0.201 0.000 0.827 403 D CB -0.328 40.554 40.800 0.136 0.000 0.966 403 D HN 0.523 nan 8.370 nan 0.000 0.456 404 R N -1.033 119.567 120.500 0.168 0.000 2.100 404 R HA 0.015 4.370 4.340 0.025 0.000 0.220 404 R C 2.118 178.390 176.300 -0.046 0.000 1.091 404 R CA 0.525 56.658 56.100 0.056 0.000 0.986 404 R CB -0.149 30.112 30.300 -0.065 0.000 0.888 404 R HN 0.289 nan 8.270 nan 0.000 0.444 405 Y N -0.034 120.283 120.300 0.029 0.000 2.420 405 Y HA 0.158 4.723 4.550 0.025 0.000 0.292 405 Y C 1.025 176.859 175.900 -0.110 0.000 1.119 405 Y CA 0.778 58.865 58.100 -0.021 0.000 1.229 405 Y CB 0.687 39.105 38.460 -0.070 0.000 1.026 405 Y HN 0.236 nan 8.280 nan 0.000 0.554 406 G N 1.166 109.999 108.800 0.056 0.000 2.858 406 G HA2 -0.148 3.827 3.960 0.025 0.000 0.272 406 G HA3 -0.148 3.827 3.960 0.025 0.000 0.272 406 G C -1.146 173.594 174.900 -0.265 0.000 1.003 406 G CA -0.554 44.443 45.100 -0.171 0.000 1.241 406 G HN 0.163 nan 8.290 nan 0.000 0.569 407 L N 0.750 121.895 121.223 -0.131 0.000 2.445 407 L HA 0.526 4.881 4.340 0.025 0.000 0.262 407 L C 0.046 176.901 176.870 -0.024 0.000 0.974 407 L CA -1.356 53.358 54.840 -0.209 0.000 0.822 407 L CB 1.989 43.955 42.059 -0.156 0.000 1.339 407 L HN 0.417 nan 8.230 nan 0.000 0.409 408 Y N 1.613 122.042 120.300 0.215 0.000 2.359 408 Y HA 0.385 4.952 4.550 0.028 0.000 0.330 408 Y C 0.176 176.203 175.900 0.212 0.000 1.143 408 Y CA -0.671 57.590 58.100 0.269 0.000 1.318 408 Y CB 1.298 39.895 38.460 0.229 0.000 1.234 408 Y HN 0.154 nan 8.280 nan 0.000 0.522 409 V N 4.143 124.243 119.914 0.311 0.000 2.604 409 V HA 0.306 4.441 4.120 0.025 0.000 0.305 409 V C -0.602 175.567 176.094 0.125 0.000 1.043 409 V CA -1.041 61.377 62.300 0.196 0.000 0.888 409 V CB 1.973 33.862 31.823 0.109 0.000 0.995 409 V HN 0.447 nan 8.190 nan 0.000 0.429 410 V N 3.156 123.108 119.914 0.064 0.000 2.348 410 V HA 0.315 4.450 4.120 0.025 0.000 0.270 410 V C -0.283 175.838 176.094 0.045 0.000 1.037 410 V CA -0.295 61.994 62.300 -0.018 0.000 0.872 410 V CB 1.336 33.031 31.823 -0.213 0.000 1.002 410 V HN 0.885 nan 8.190 nan 0.000 0.464 411 D N 4.195 124.668 120.400 0.122 0.000 2.249 411 D HA 0.353 5.008 4.640 0.025 0.000 0.246 411 D C -0.277 176.221 176.300 0.330 0.000 1.114 411 D CA -0.141 54.032 54.000 0.287 0.000 0.854 411 D CB 1.384 42.404 40.800 0.367 0.000 1.132 411 D HN 0.695 nan 8.370 nan 0.000 0.461 412 E N 1.947 122.305 120.200 0.263 0.000 2.234 412 E HA 0.626 4.991 4.350 0.025 0.000 0.266 412 E C -1.073 175.668 176.600 0.235 0.000 0.877 412 E CA -1.055 55.484 56.400 0.232 0.000 0.758 412 E CB 1.379 31.165 29.700 0.144 0.000 1.170 412 E HN 0.457 nan 8.360 nan 0.000 0.415 413 A N 3.792 126.743 122.820 0.218 0.000 2.483 413 A HA 0.069 4.404 4.320 0.025 0.000 0.238 413 A C 0.290 178.001 177.584 0.211 0.000 1.070 413 A CA -0.202 51.942 52.037 0.178 0.000 0.770 413 A CB 0.143 19.212 19.000 0.115 0.000 1.008 413 A HN 0.691 nan 8.150 nan 0.000 0.497 414 N N 1.218 120.050 118.700 0.220 0.000 3.050 414 N HA 0.288 5.043 4.740 0.025 0.000 0.289 414 N C -1.085 174.553 175.510 0.215 0.000 1.209 414 N CA 0.181 53.395 53.050 0.273 0.000 1.154 414 N CB -0.793 37.853 38.487 0.264 0.000 1.444 414 N HN 0.472 nan 8.380 nan 0.000 0.529 415 I N 1.110 121.802 120.570 0.204 0.000 2.497 415 I HA 0.267 4.452 4.170 0.025 0.000 0.284 415 I C -0.612 175.609 176.117 0.174 0.000 1.060 415 I CA -0.597 60.805 61.300 0.170 0.000 1.071 415 I CB 1.747 39.822 38.000 0.124 0.000 1.216 415 I HN 0.265 nan 8.210 nan 0.000 0.442 416 E N 4.300 124.597 120.200 0.161 0.000 2.287 416 E HA 0.383 4.748 4.350 0.025 0.000 0.274 416 E C -0.598 176.065 176.600 0.104 0.000 0.896 416 E CA -0.490 55.978 56.400 0.114 0.000 0.788 416 E CB 1.656 31.409 29.700 0.089 0.000 1.244 416 E HN 0.583 nan 8.360 nan 0.000 0.408 417 T N 0.635 115.241 114.554 0.086 0.000 3.374 417 T HA 0.161 4.526 4.350 0.025 0.000 0.267 417 T C 0.844 175.584 174.700 0.066 0.000 0.996 417 T CA -0.337 61.837 62.100 0.122 0.000 0.977 417 T CB -0.287 68.640 68.868 0.099 0.000 1.149 417 T HN 0.667 nan 8.240 nan 0.000 0.517 418 H N 1.044 120.019 119.070 -0.159 0.000 2.426 418 H HA -0.018 4.554 4.556 0.027 0.000 0.298 418 H C 2.249 177.452 175.328 -0.209 0.000 1.107 418 H CA 1.224 57.160 56.048 -0.187 0.000 1.298 418 H CB -0.127 29.488 29.762 -0.244 0.000 1.377 418 H HN 0.583 nan 8.280 nan 0.000 0.519 419 G N 0.046 108.695 108.800 -0.252 0.000 2.920 419 G HA2 -0.002 3.973 3.960 0.025 0.000 0.208 419 G HA3 -0.002 3.973 3.960 0.025 0.000 0.208 419 G C 0.396 175.405 174.900 0.182 0.000 1.159 419 G CA -0.243 44.751 45.100 -0.177 0.000 0.784 419 G HN 0.134 nan 8.290 nan 0.000 0.535 420 M N 0.513 120.268 119.600 0.258 0.000 2.226 420 M HA 0.290 4.785 4.480 0.025 0.000 0.324 420 M C -0.309 176.028 176.300 0.062 0.000 1.112 420 M CA -0.242 55.160 55.300 0.171 0.000 1.176 420 M CB 1.368 34.021 32.600 0.088 0.000 1.430 420 M HN -0.209 nan 8.290 nan 0.000 0.462 421 V N 4.125 124.052 119.914 0.023 0.000 2.443 421 V HA 0.384 4.520 4.120 0.025 0.000 0.293 421 V C -1.913 174.173 176.094 -0.013 0.000 1.021 421 V CA -1.324 60.975 62.300 -0.002 0.000 0.848 421 V CB 1.797 33.613 31.823 -0.011 0.000 0.998 421 V HN 0.739 nan 8.190 nan 0.000 0.424 422 P HA 0.224 nan 4.420 nan 0.000 0.277 422 P C 0.966 178.268 177.300 0.002 0.000 1.276 422 P CA -0.469 62.626 63.100 -0.007 0.000 0.788 422 P CB 1.016 32.713 31.700 -0.004 0.000 1.114 423 M N 0.513 120.119 119.600 0.010 0.000 2.279 423 M HA -0.164 4.331 4.480 0.025 0.000 0.264 423 M C 1.129 177.447 176.300 0.030 0.000 1.062 423 M CA 1.775 57.090 55.300 0.024 0.000 1.099 423 M CB -0.487 32.117 32.600 0.007 0.000 1.394 423 M HN 0.368 nan 8.290 nan 0.000 0.426 424 N N -0.184 118.534 118.700 0.029 0.000 2.313 424 N HA -0.063 4.692 4.740 0.025 0.000 0.207 424 N C 1.089 176.577 175.510 -0.037 0.000 1.141 424 N CA 0.125 53.190 53.050 0.025 0.000 0.830 424 N CB -0.724 37.795 38.487 0.053 0.000 1.008 424 N HN 0.347 nan 8.380 nan 0.000 0.481 425 R N 0.353 120.819 120.500 -0.057 0.000 2.105 425 R HA 0.012 4.367 4.340 0.025 0.000 0.239 425 R C 1.344 177.542 176.300 -0.170 0.000 1.135 425 R CA 1.272 57.315 56.100 -0.094 0.000 0.967 425 R CB -0.038 30.205 30.300 -0.095 0.000 0.861 425 R HN 0.299 nan 8.270 nan 0.000 0.442 426 L N -0.654 120.407 121.223 -0.269 0.000 2.202 426 L HA -0.002 4.353 4.340 0.025 0.000 0.205 426 L C 2.447 179.167 176.870 -0.250 0.000 1.083 426 L CA 1.297 55.852 54.840 -0.473 0.000 0.790 426 L CB -0.440 41.103 42.059 -0.860 0.000 0.942 426 L HN 0.340 nan 8.230 nan 0.000 0.452 427 T N -4.485 109.954 114.554 -0.192 0.000 3.035 427 T HA -0.139 4.226 4.350 0.025 0.000 0.268 427 T C 1.253 175.839 174.700 -0.189 0.000 1.109 427 T CA 1.031 62.990 62.100 -0.235 0.000 1.119 427 T CB -0.182 68.487 68.868 -0.333 0.000 0.900 427 T HN 0.089 nan 8.240 nan 0.000 0.503 428 D N 1.144 121.477 120.400 -0.112 0.000 2.349 428 D HA 0.109 4.764 4.640 0.025 0.000 0.214 428 D C -0.299 175.976 176.300 -0.043 0.000 1.063 428 D CA -0.211 53.739 54.000 -0.083 0.000 0.847 428 D CB -0.081 40.686 40.800 -0.055 0.000 0.933 428 D HN 0.303 nan 8.370 nan 0.000 0.513 429 D N -0.047 120.343 120.400 -0.017 0.000 2.317 429 D HA 0.123 4.778 4.640 0.025 0.000 0.234 429 D C -1.671 174.677 176.300 0.079 0.000 1.112 429 D CA -2.191 51.840 54.000 0.051 0.000 0.840 429 D CB 2.011 42.885 40.800 0.122 0.000 1.078 429 D HN -0.018 nan 8.370 nan 0.000 0.486 430 P HA -0.090 nan 4.420 nan 0.000 0.222 430 P C 0.962 178.265 177.300 0.006 0.000 1.147 430 P CA 0.611 63.719 63.100 0.012 0.000 0.790 430 P CB 0.334 32.030 31.700 -0.007 0.000 0.780 431 R N -1.685 118.827 120.500 0.020 0.000 2.237 431 R HA -0.063 4.292 4.340 0.025 0.000 0.219 431 R C 1.390 177.570 176.300 -0.200 0.000 1.080 431 R CA 1.022 57.066 56.100 -0.094 0.000 0.995 431 R CB -0.492 29.734 30.300 -0.125 0.000 0.875 431 R HN 0.336 nan 8.270 nan 0.000 0.462 432 W N -0.184 121.059 121.300 -0.095 0.000 3.220 432 W HA 0.129 4.804 4.660 0.024 0.000 0.328 432 W C 1.497 177.954 176.519 -0.104 0.000 1.205 432 W CA -0.532 56.756 57.345 -0.096 0.000 1.773 432 W CB 0.030 29.431 29.460 -0.097 0.000 1.086 432 W HN -0.007 nan 8.180 nan 0.000 0.622 433 L N 2.182 123.430 121.223 0.042 0.000 2.046 433 L HA -0.050 4.305 4.340 0.025 0.000 0.208 433 L C -0.673 176.161 176.870 -0.060 0.000 1.077 433 L CA 2.241 57.066 54.840 -0.025 0.000 0.747 433 L CB -1.671 40.362 42.059 -0.043 0.000 0.896 433 L HN -0.225 nan 8.230 nan 0.000 0.432 434 P HA -0.154 nan 4.420 nan 0.000 0.214 434 P C 1.639 178.886 177.300 -0.088 0.000 1.163 434 P CA 2.210 65.248 63.100 -0.103 0.000 0.883 434 P CB -0.243 31.387 31.700 -0.117 0.000 0.788 435 A N -1.023 121.758 122.820 -0.065 0.000 1.908 435 A HA -0.212 4.124 4.320 0.025 0.000 0.218 435 A C 2.249 179.845 177.584 0.020 0.000 1.181 435 A CA 2.088 54.120 52.037 -0.008 0.000 0.627 435 A CB -1.514 17.518 19.000 0.053 0.000 0.818 435 A HN 0.112 nan 8.150 nan 0.000 0.445 436 M N 0.142 119.761 119.600 0.032 0.000 2.132 436 M HA -0.144 4.351 4.480 0.025 0.000 0.263 436 M C 2.572 178.818 176.300 -0.090 0.000 1.065 436 M CA 1.692 56.986 55.300 -0.009 0.000 1.122 436 M CB -0.401 32.171 32.600 -0.046 0.000 1.365 436 M HN 0.674 nan 8.290 nan 0.000 0.411 437 S N 0.623 116.241 115.700 -0.135 0.000 2.365 437 S HA -0.218 4.267 4.470 0.025 0.000 0.225 437 S C 1.620 176.054 174.600 -0.278 0.000 1.039 437 S CA 1.693 59.747 58.200 -0.244 0.000 1.033 437 S CB -0.697 62.339 63.200 -0.273 0.000 0.887 437 S HN 0.537 nan 8.310 nan 0.000 0.447 438 E N 0.986 121.072 120.200 -0.189 0.000 2.153 438 E HA -0.100 4.265 4.350 0.025 0.000 0.194 438 E C 2.445 178.959 176.600 -0.143 0.000 0.988 438 E CA 0.938 57.234 56.400 -0.174 0.000 0.811 438 E CB -0.164 29.471 29.700 -0.109 0.000 0.746 438 E HN 0.587 nan 8.360 nan 0.000 0.466 439 R N 0.205 120.651 120.500 -0.090 0.000 2.092 439 R HA -0.083 4.272 4.340 0.025 0.000 0.231 439 R C 2.340 178.598 176.300 -0.070 0.000 1.119 439 R CA 0.825 56.902 56.100 -0.038 0.000 0.970 439 R CB -0.056 30.261 30.300 0.028 0.000 0.864 439 R HN 0.017 nan 8.270 nan 0.000 0.440 440 V N 0.279 120.106 119.914 -0.144 0.000 2.331 440 V HA -0.199 3.937 4.120 0.025 0.000 0.242 440 V C 2.525 178.436 176.094 -0.305 0.000 1.034 440 V CA 2.186 64.377 62.300 -0.181 0.000 1.027 440 V CB -0.461 31.250 31.823 -0.188 0.000 0.667 440 V HN 0.541 nan 8.190 nan 0.000 0.457 441 T N -0.721 113.522 114.554 -0.519 0.000 2.746 441 T HA -0.238 4.128 4.350 0.025 0.000 0.267 441 T C 1.932 176.474 174.700 -0.264 0.000 1.039 441 T CA 1.400 63.108 62.100 -0.654 0.000 1.142 441 T CB -0.415 67.869 68.868 -0.973 0.000 0.866 441 T HN 0.404 nan 8.240 nan 0.000 0.444 442 R N 0.189 120.560 120.500 -0.215 0.000 2.189 442 R HA 0.231 4.587 4.340 0.025 0.000 0.218 442 R C 2.603 178.826 176.300 -0.128 0.000 1.074 442 R CA 1.212 57.222 56.100 -0.150 0.000 0.991 442 R CB -0.421 29.799 30.300 -0.133 0.000 0.883 442 R HN 0.499 nan 8.270 nan 0.000 0.457 443 M N 0.443 119.974 119.600 -0.116 0.000 2.123 443 M HA -0.119 4.377 4.480 0.025 0.000 0.263 443 M C 1.812 178.041 176.300 -0.119 0.000 1.069 443 M CA 1.599 56.860 55.300 -0.065 0.000 1.133 443 M CB 0.138 32.744 32.600 0.009 0.000 1.356 443 M HN -0.027 nan 8.290 nan 0.000 0.415 444 V N 1.149 120.886 119.914 -0.295 0.000 2.343 444 V HA -0.279 3.856 4.120 0.025 0.000 0.247 444 V C 2.274 178.261 176.094 -0.179 0.000 1.051 444 V CA 1.960 63.958 62.300 -0.504 0.000 1.036 444 V CB -0.909 30.588 31.823 -0.544 0.000 0.654 444 V HN 0.590 nan 8.190 nan 0.000 0.451 445 Q N -0.597 119.135 119.800 -0.114 0.000 2.170 445 Q HA -0.219 4.136 4.340 0.025 0.000 0.203 445 Q C 2.435 178.342 176.000 -0.155 0.000 0.976 445 Q CA 1.497 57.235 55.803 -0.109 0.000 0.858 445 Q CB -0.174 28.525 28.738 -0.065 0.000 0.907 445 Q HN 0.543 nan 8.270 nan 0.000 0.433 446 R N 0.291 120.696 120.500 -0.158 0.000 2.100 446 R HA -0.080 4.275 4.340 0.025 0.000 0.220 446 R C 0.498 176.720 176.300 -0.130 0.000 1.091 446 R CA 1.208 57.189 56.100 -0.198 0.000 0.986 446 R CB 0.463 30.650 30.300 -0.189 0.000 0.888 446 R HN 0.125 nan 8.270 nan 0.000 0.444 447 D N -0.268 120.128 120.400 -0.006 0.000 2.398 447 D HA 0.001 4.656 4.640 0.025 0.000 0.210 447 D C 1.216 177.635 176.300 0.198 0.000 1.094 447 D CA 0.107 54.161 54.000 0.090 0.000 0.839 447 D CB 0.296 41.108 40.800 0.021 0.000 0.963 447 D HN 0.351 nan 8.370 nan 0.000 0.506 448 R N 0.541 121.167 120.500 0.210 0.000 2.293 448 R HA 0.029 4.384 4.340 0.025 0.000 0.219 448 R C 0.713 177.005 176.300 -0.012 0.000 1.091 448 R CA 0.826 57.059 56.100 0.221 0.000 1.004 448 R CB -0.245 30.106 30.300 0.086 0.000 0.865 448 R HN -0.092 nan 8.270 nan 0.000 0.469 449 N N 0.282 118.902 118.700 -0.134 0.000 2.280 449 N HA 0.008 4.763 4.740 0.025 0.000 0.192 449 N C -0.539 174.838 175.510 -0.222 0.000 1.109 449 N CA 0.196 53.138 53.050 -0.181 0.000 0.855 449 N CB 0.135 38.479 38.487 -0.238 0.000 0.974 449 N HN 0.286 nan 8.380 nan 0.000 0.482 450 H N 1.308 120.314 119.070 -0.108 0.000 2.742 450 H HA 0.104 4.675 4.556 0.025 0.000 0.302 450 H C -1.208 173.968 175.328 -0.254 0.000 1.069 450 H CA -1.172 54.797 56.048 -0.132 0.000 1.446 450 H CB 1.533 31.258 29.762 -0.061 0.000 1.462 450 H HN 0.059 nan 8.280 nan 0.000 0.499 451 P HA -0.142 nan 4.420 nan 0.000 0.221 451 P C 1.430 178.265 177.300 -0.776 0.000 1.150 451 P CA 1.021 63.762 63.100 -0.598 0.000 0.800 451 P CB 0.287 31.379 31.700 -1.012 0.000 0.787 452 S N -0.681 114.669 115.700 -0.584 0.000 2.419 452 S HA -0.050 4.435 4.470 0.025 0.000 0.233 452 S C 1.132 175.699 174.600 -0.056 0.000 1.016 452 S CA 0.424 58.452 58.200 -0.288 0.000 0.974 452 S CB -1.545 61.635 63.200 -0.034 0.000 0.786 452 S HN -0.060 nan 8.310 nan 0.000 0.492 453 V N 3.682 123.535 119.914 -0.101 0.000 2.446 453 V HA 0.211 4.346 4.120 0.025 0.000 0.276 453 V C 1.153 177.109 176.094 -0.230 0.000 1.030 453 V CA 0.064 62.269 62.300 -0.158 0.000 1.033 453 V CB 0.391 32.025 31.823 -0.315 0.000 0.993 453 V HN 0.630 nan 8.190 nan 0.000 0.477 454 I N 2.655 123.148 120.570 -0.128 0.000 4.187 454 I HA 0.501 4.686 4.170 0.025 0.000 0.326 454 I C 0.394 176.402 176.117 -0.183 0.000 1.302 454 I CA 0.523 61.757 61.300 -0.109 0.000 1.196 454 I CB 0.487 38.507 38.000 0.032 0.000 1.095 454 I HN 0.322 nan 8.210 nan 0.000 0.411 455 I N 0.252 120.692 120.570 -0.216 0.000 2.656 455 I HA 0.356 4.542 4.170 0.025 0.000 0.292 455 I C -1.518 174.504 176.117 -0.158 0.000 1.144 455 I CA -0.414 60.802 61.300 -0.140 0.000 1.038 455 I CB 2.089 40.099 38.000 0.017 0.000 1.244 455 I HN 0.029 nan 8.210 nan 0.000 0.420 456 W N 3.866 125.218 121.300 0.087 0.000 2.449 456 W HA 0.629 5.301 4.660 0.021 0.000 0.331 456 W C 0.426 177.015 176.519 0.116 0.000 1.119 456 W CA -0.630 56.774 57.345 0.098 0.000 1.240 456 W CB 1.587 31.102 29.460 0.092 0.000 1.251 456 W HN 0.306 nan 8.180 nan 0.000 0.576 457 S N 2.259 118.200 115.700 0.402 0.000 2.513 457 S HA 0.395 4.880 4.470 0.025 0.000 0.299 457 S C 0.272 175.047 174.600 0.293 0.000 1.087 457 S CA -0.719 57.666 58.200 0.309 0.000 1.012 457 S CB 0.863 64.198 63.200 0.224 0.000 1.044 457 S HN 0.587 nan 8.310 nan 0.000 0.485 458 L N 3.944 125.335 121.223 0.280 0.000 2.610 458 L HA 0.306 4.661 4.340 0.025 0.000 0.232 458 L C 1.422 178.368 176.870 0.126 0.000 1.149 458 L CA 0.599 55.522 54.840 0.139 0.000 0.872 458 L CB -1.156 40.868 42.059 -0.059 0.000 0.992 458 L HN 1.011 nan 8.230 nan 0.000 0.447 459 G N -0.014 108.948 108.800 0.269 0.000 2.265 459 G HA2 -0.140 3.835 3.960 0.025 0.000 0.246 459 G HA3 -0.140 3.835 3.960 0.025 0.000 0.246 459 G C -1.549 173.560 174.900 0.349 0.000 1.299 459 G CA -0.479 44.784 45.100 0.271 0.000 1.117 459 G HN 0.188 nan 8.290 nan 0.000 0.485 460 N N 0.109 118.957 118.700 0.248 0.000 2.367 460 N HA 0.466 5.221 4.740 0.025 0.000 0.278 460 N C -0.515 174.960 175.510 -0.058 0.000 1.117 460 N CA 0.151 53.205 53.050 0.006 0.000 0.867 460 N CB 1.583 39.831 38.487 -0.399 0.000 1.649 460 N HN 0.908 nan 8.380 nan 0.000 0.479 461 E N 0.679 120.749 120.200 -0.217 0.000 2.160 461 E HA -0.176 4.189 4.350 0.025 0.000 0.180 461 E C -0.846 175.667 176.600 -0.145 0.000 1.452 461 E CA 0.823 57.006 56.400 -0.361 0.000 0.683 461 E CB -1.282 27.966 29.700 -0.753 0.000 1.072 461 E HN 0.441 nan 8.360 nan 0.000 0.332 462 S N 0.066 115.824 115.700 0.096 0.000 2.941 462 S HA 0.409 4.894 4.470 0.025 0.000 0.251 462 S C 0.633 175.391 174.600 0.262 0.000 1.029 462 S CA -0.188 58.125 58.200 0.188 0.000 1.062 462 S CB 1.393 64.761 63.200 0.280 0.000 0.977 462 S HN 0.850 nan 8.310 nan 0.000 0.552 463 G N 2.030 110.917 108.800 0.146 0.000 2.601 463 G HA2 -0.265 3.710 3.960 0.025 0.000 0.261 463 G HA3 -0.265 3.710 3.960 0.025 0.000 0.261 463 G C -0.531 174.556 174.900 0.312 0.000 1.289 463 G CA -0.109 45.084 45.100 0.154 0.000 0.920 463 G HN 0.632 nan 8.290 nan 0.000 0.571 464 H N 0.696 119.885 119.070 0.198 0.000 2.727 464 H HA 0.591 5.164 4.556 0.028 0.000 0.330 464 H C 0.274 175.764 175.328 0.270 0.000 0.986 464 H CA 0.146 56.352 56.048 0.264 0.000 1.251 464 H CB 0.778 30.631 29.762 0.153 0.000 1.493 464 H HN 1.110 nan 8.280 nan 0.000 0.515 465 G N 1.512 110.291 108.800 -0.035 0.000 2.630 465 G HA2 0.459 4.434 3.960 0.025 0.000 0.296 465 G HA3 0.459 4.434 3.960 0.025 0.000 0.296 465 G C 0.511 175.215 174.900 -0.326 0.000 1.285 465 G CA -0.160 44.809 45.100 -0.219 0.000 0.958 465 G HN 0.658 nan 8.290 nan 0.000 0.479 466 A N 0.291 122.989 122.820 -0.202 0.000 2.070 466 A HA -0.076 4.260 4.320 0.025 0.000 0.220 466 A C 2.106 179.634 177.584 -0.093 0.000 1.159 466 A CA 1.768 53.733 52.037 -0.121 0.000 0.656 466 A CB -0.411 18.557 19.000 -0.054 0.000 0.800 466 A HN 0.533 nan 8.150 nan 0.000 0.453 467 N N -0.104 118.501 118.700 -0.159 0.000 2.205 467 N HA -0.158 4.597 4.740 0.025 0.000 0.186 467 N C 1.371 176.787 175.510 -0.158 0.000 1.015 467 N CA 1.764 54.712 53.050 -0.170 0.000 0.862 467 N CB -0.674 37.674 38.487 -0.231 0.000 0.986 467 N HN 0.793 nan 8.380 nan 0.000 0.429 468 H N 0.301 119.302 119.070 -0.115 0.000 2.326 468 H HA -0.018 4.553 4.556 0.025 0.000 0.301 468 H C 1.236 176.594 175.328 0.050 0.000 1.081 468 H CA 1.243 57.232 56.048 -0.098 0.000 1.334 468 H CB 0.148 29.816 29.762 -0.158 0.000 1.385 468 H HN 0.173 nan 8.280 nan 0.000 0.504 469 D N 0.381 120.898 120.400 0.195 0.000 2.144 469 D HA -0.112 4.543 4.640 0.025 0.000 0.199 469 D C 2.280 178.720 176.300 0.233 0.000 0.984 469 D CA 1.081 55.218 54.000 0.228 0.000 0.834 469 D CB -0.373 40.537 40.800 0.183 0.000 0.955 469 D HN 0.422 nan 8.370 nan 0.000 0.465 470 A N 0.757 123.661 122.820 0.141 0.000 1.902 470 A HA -0.130 4.205 4.320 0.025 0.000 0.217 470 A C 2.382 180.071 177.584 0.174 0.000 1.181 470 A CA 1.002 53.116 52.037 0.129 0.000 0.623 470 A CB -0.736 18.298 19.000 0.058 0.000 0.818 470 A HN 0.207 nan 8.150 nan 0.000 0.443 471 L N -2.238 119.072 121.223 0.146 0.000 2.156 471 L HA -0.112 4.244 4.340 0.025 0.000 0.208 471 L C 2.548 179.566 176.870 0.247 0.000 1.095 471 L CA 1.376 56.308 54.840 0.155 0.000 0.770 471 L CB -0.664 41.413 42.059 0.031 0.000 0.914 471 L HN 0.597 nan 8.230 nan 0.000 0.439 472 Y N 1.310 121.693 120.300 0.139 0.000 2.128 472 Y HA -0.329 4.232 4.550 0.019 0.000 0.284 472 Y C 2.801 178.785 175.900 0.140 0.000 1.154 472 Y CA 1.812 59.999 58.100 0.145 0.000 1.149 472 Y CB -0.148 38.401 38.460 0.148 0.000 0.976 472 Y HN -0.029 nan 8.280 nan 0.000 0.505 473 R N -0.237 120.387 120.500 0.205 0.000 2.092 473 R HA -0.187 4.168 4.340 0.025 0.000 0.231 473 R C 2.042 178.346 176.300 0.006 0.000 1.119 473 R CA 1.828 57.958 56.100 0.050 0.000 0.970 473 R CB -1.379 29.028 30.300 0.177 0.000 0.864 473 R HN 0.638 nan 8.270 nan 0.000 0.440 474 W N 0.585 121.848 121.300 -0.062 0.000 2.335 474 W HA -0.164 4.511 4.660 0.025 0.000 0.311 474 W C 1.549 177.981 176.519 -0.145 0.000 1.213 474 W CA 2.052 59.345 57.345 -0.087 0.000 1.274 474 W CB -0.235 29.177 29.460 -0.080 0.000 1.148 474 W HN 0.090 nan 8.180 nan 0.000 0.498 475 I N 0.735 121.303 120.570 -0.004 0.000 2.179 475 I HA -0.336 3.850 4.170 0.025 0.000 0.242 475 I C 2.459 178.364 176.117 -0.353 0.000 1.088 475 I CA 1.321 62.448 61.300 -0.287 0.000 1.357 475 I CB -0.761 37.149 38.000 -0.150 0.000 1.051 475 I HN -0.131 nan 8.210 nan 0.000 0.409 476 K N 0.370 120.578 120.400 -0.320 0.000 2.152 476 K HA -0.171 4.164 4.320 0.025 0.000 0.206 476 K C 2.295 178.751 176.600 -0.239 0.000 1.048 476 K CA 1.435 57.554 56.287 -0.280 0.000 0.933 476 K CB -0.514 31.765 32.500 -0.370 0.000 0.721 476 K HN 0.239 nan 8.250 nan 0.000 0.447 477 S N 0.862 116.384 115.700 -0.296 0.000 2.357 477 S HA -0.089 4.397 4.470 0.025 0.000 0.221 477 S C 2.034 176.421 174.600 -0.354 0.000 1.031 477 S CA 1.255 59.287 58.200 -0.280 0.000 0.982 477 S CB -0.116 62.920 63.200 -0.274 0.000 0.853 477 S HN 0.188 nan 8.310 nan 0.000 0.458 478 V N -0.754 118.803 119.914 -0.595 0.000 2.719 478 V HA 0.231 4.366 4.120 0.025 0.000 0.252 478 V C 0.323 176.201 176.094 -0.359 0.000 1.065 478 V CA 1.435 63.390 62.300 -0.575 0.000 1.086 478 V CB -0.415 30.832 31.823 -0.961 0.000 0.700 478 V HN 0.444 nan 8.190 nan 0.000 0.467 479 D N 0.192 120.420 120.400 -0.287 0.000 2.330 479 D HA 0.403 5.058 4.640 0.025 0.000 0.249 479 D C -2.412 173.875 176.300 -0.021 0.000 1.306 479 D CA -1.798 52.144 54.000 -0.096 0.000 0.956 479 D CB 1.777 42.599 40.800 0.036 0.000 1.261 479 D HN 0.136 nan 8.370 nan 0.000 0.544 480 P HA -0.007 nan 4.420 nan 0.000 0.241 480 P C 1.178 178.498 177.300 0.033 0.000 1.191 480 P CA 0.420 63.515 63.100 -0.009 0.000 0.771 480 P CB 0.209 31.899 31.700 -0.016 0.000 0.929 481 S N -1.322 114.407 115.700 0.048 0.000 2.515 481 S HA 0.039 4.524 4.470 0.025 0.000 0.231 481 S C 0.869 175.497 174.600 0.046 0.000 0.987 481 S CA 0.112 58.344 58.200 0.053 0.000 0.936 481 S CB -0.383 62.843 63.200 0.043 0.000 0.766 481 S HN 0.052 nan 8.310 nan 0.000 0.528 482 R N 0.963 121.503 120.500 0.068 0.000 2.673 482 R HA 0.538 4.894 4.340 0.025 0.000 0.281 482 R C -3.206 173.146 176.300 0.086 0.000 0.991 482 R CA -2.286 53.819 56.100 0.008 0.000 0.896 482 R CB 1.524 31.716 30.300 -0.180 0.000 1.201 482 R HN 0.133 nan 8.270 nan 0.000 0.457 483 P HA 0.065 nan 4.420 nan 0.000 0.270 483 P C -0.855 176.557 177.300 0.187 0.000 1.223 483 P CA -0.331 62.836 63.100 0.112 0.000 0.785 483 P CB 0.635 32.387 31.700 0.087 0.000 0.923 484 V N 2.375 122.428 119.914 0.232 0.000 2.495 484 V HA 0.419 4.554 4.120 0.025 0.000 0.298 484 V C 0.182 176.469 176.094 0.322 0.000 1.031 484 V CA -0.336 62.153 62.300 0.314 0.000 0.871 484 V CB 1.218 33.209 31.823 0.281 0.000 0.988 484 V HN 0.616 nan 8.190 nan 0.000 0.432 485 Q N 3.697 123.667 119.800 0.283 0.000 2.458 485 Q HA 0.821 5.177 4.340 0.025 0.000 0.282 485 Q C -1.848 174.323 176.000 0.284 0.000 1.106 485 Q CA -0.953 54.983 55.803 0.222 0.000 0.814 485 Q CB 3.035 31.848 28.738 0.126 0.000 1.425 485 Q HN 0.633 nan 8.270 nan 0.000 0.437 486 Y N 0.054 120.377 120.300 0.039 0.000 2.409 486 Y HA 0.142 4.705 4.550 0.022 0.000 0.321 486 Y C -0.686 175.175 175.900 -0.066 0.000 1.209 486 Y CA -0.767 57.326 58.100 -0.011 0.000 1.086 486 Y CB 2.000 40.444 38.460 -0.026 0.000 1.320 486 Y HN 0.948 nan 8.280 nan 0.000 0.440 487 E N 3.313 123.008 120.200 -0.843 0.000 2.400 487 E HA 0.156 4.522 4.350 0.025 0.000 0.195 487 E C 0.616 176.797 176.600 -0.698 0.000 1.012 487 E CA 0.682 56.718 56.400 -0.607 0.000 0.875 487 E CB 0.301 29.774 29.700 -0.380 0.000 0.859 487 E HN 0.882 nan 8.360 nan 0.000 0.498 488 G N -0.116 107.870 108.800 -1.357 0.000 2.559 488 G HA2 0.250 4.226 3.960 0.025 0.000 0.235 488 G HA3 0.250 4.226 3.960 0.025 0.000 0.235 488 G C 0.800 175.596 174.900 -0.175 0.000 1.266 488 G CA 0.272 45.014 45.100 -0.598 0.000 0.847 488 G HN 0.334 nan 8.290 nan 0.000 0.583 489 G N -0.666 108.117 108.800 -0.029 0.000 2.160 489 G HA2 0.232 4.208 3.960 0.025 0.000 0.251 489 G HA3 0.232 4.208 3.960 0.025 0.000 0.251 489 G C 1.271 176.187 174.900 0.028 0.000 1.008 489 G CA 0.976 46.111 45.100 0.058 0.000 0.724 489 G HN 2.627 nan 8.290 nan 0.000 0.514 490 G N -1.460 107.351 108.800 0.018 0.000 2.192 490 G HA2 0.425 4.400 3.960 0.025 0.000 0.193 490 G HA3 0.425 4.400 3.960 0.025 0.000 0.193 490 G C 1.053 176.080 174.900 0.212 0.000 0.999 490 G CA 1.300 46.474 45.100 0.122 0.000 0.659 490 G HN 2.363 nan 8.290 nan 0.000 0.503 491 A N -0.290 122.536 122.820 0.010 0.000 3.396 491 A HA -0.121 4.214 4.320 0.025 0.000 0.267 491 A C 1.109 178.629 177.584 -0.107 0.000 1.139 491 A CA 2.623 54.602 52.037 -0.097 0.000 1.115 491 A CB -1.750 17.157 19.000 -0.154 0.000 1.133 491 A HN 2.135 nan 8.150 nan 0.000 0.920 492 D N -0.911 119.510 120.400 0.036 0.000 2.785 492 D HA 0.304 4.959 4.640 0.025 0.000 0.324 492 D C 0.396 176.692 176.300 -0.006 0.000 1.523 492 D CA 0.863 54.885 54.000 0.036 0.000 0.789 492 D CB -1.143 39.809 40.800 0.252 0.000 1.171 492 D HN 0.821 nan 8.370 nan 0.000 0.447 493 T N -2.364 112.127 114.554 -0.105 0.000 2.753 493 T HA 0.208 4.573 4.350 0.025 0.000 0.309 493 T C 1.588 176.153 174.700 -0.225 0.000 1.043 493 T CA 0.500 62.460 62.100 -0.233 0.000 0.964 493 T CB 0.637 69.181 68.868 -0.541 0.000 1.206 493 T HN 0.066 nan 8.240 nan 0.000 0.528 494 T N -2.606 111.785 114.554 -0.273 0.000 3.163 494 T HA 0.255 4.621 4.350 0.025 0.000 0.260 494 T C 1.395 175.863 174.700 -0.387 0.000 1.156 494 T CA 0.214 62.177 62.100 -0.229 0.000 1.072 494 T CB -0.511 68.292 68.868 -0.109 0.000 0.937 494 T HN 0.829 nan 8.240 nan 0.000 0.528 495 A N 0.420 123.056 122.820 -0.307 0.000 2.545 495 A HA 0.538 4.873 4.320 0.025 0.000 0.277 495 A C 0.712 178.163 177.584 -0.221 0.000 1.301 495 A CA -0.399 51.435 52.037 -0.338 0.000 0.935 495 A CB 0.124 19.206 19.000 0.137 0.000 1.093 495 A HN 0.408 nan 8.150 nan 0.000 0.519 496 T N -1.241 113.179 114.554 -0.223 0.000 2.971 496 T HA 0.346 4.711 4.350 0.025 0.000 0.304 496 T C -0.677 174.050 174.700 0.045 0.000 1.038 496 T CA -0.420 61.691 62.100 0.019 0.000 1.007 496 T CB 1.191 70.067 68.868 0.015 0.000 1.055 496 T HN 0.095 nan 8.240 nan 0.000 0.451 497 D N 3.021 123.531 120.400 0.184 0.000 2.349 497 D HA 0.265 4.920 4.640 0.025 0.000 0.215 497 D C 0.336 176.673 176.300 0.062 0.000 1.016 497 D CA 0.674 54.765 54.000 0.151 0.000 0.870 497 D CB 0.428 41.346 40.800 0.198 0.000 0.917 497 D HN 0.540 nan 8.370 nan 0.000 0.524 498 I N 0.943 121.531 120.570 0.029 0.000 2.498 498 I HA 0.251 4.436 4.170 0.025 0.000 0.290 498 I C -0.184 175.872 176.117 -0.101 0.000 1.032 498 I CA -0.891 60.392 61.300 -0.029 0.000 1.073 498 I CB 2.812 40.807 38.000 -0.007 0.000 1.251 498 I HN -0.353 nan 8.210 nan 0.000 0.426 499 I N 5.828 126.290 120.570 -0.180 0.000 2.505 499 I HA 0.029 4.214 4.170 0.025 0.000 0.287 499 I C 0.249 176.157 176.117 -0.349 0.000 1.104 499 I CA 0.096 61.187 61.300 -0.348 0.000 1.387 499 I CB 0.127 37.807 38.000 -0.533 0.000 1.404 499 I HN 0.685 nan 8.210 nan 0.000 0.528 500 C N 5.763 124.874 119.300 -0.316 0.000 3.401 500 C HA 0.463 4.939 4.460 0.025 0.000 0.204 500 C C -2.125 172.733 174.990 -0.220 0.000 1.522 500 C CA -2.289 56.600 59.018 -0.215 0.000 1.409 500 C CB -0.899 26.775 27.740 -0.111 0.000 1.967 500 C HN 0.417 nan 8.230 nan 0.000 0.496 501 P HA 0.266 nan 4.420 nan 0.000 0.271 501 P C -0.419 176.831 177.300 -0.082 0.000 1.233 501 P CA 0.488 63.483 63.100 -0.175 0.000 0.789 501 P CB 0.723 32.328 31.700 -0.158 0.000 0.951 502 M N -0.001 119.572 119.600 -0.044 0.000 2.243 502 M HA 0.447 4.942 4.480 0.025 0.000 0.324 502 M C -0.710 175.573 176.300 -0.028 0.000 1.031 502 M CA -0.695 54.472 55.300 -0.223 0.000 0.949 502 M CB 1.309 33.746 32.600 -0.273 0.000 1.615 502 M HN 0.325 nan 8.290 nan 0.000 0.430 503 Y N -0.346 120.122 120.300 0.280 0.000 4.409 503 Y HA -0.229 4.337 4.550 0.027 0.000 0.228 503 Y C 0.582 176.660 175.900 0.298 0.000 1.108 503 Y CA 0.435 58.706 58.100 0.285 0.000 1.955 503 Y CB -2.219 36.379 38.460 0.231 0.000 1.615 503 Y HN 0.984 nan 8.280 nan 0.000 0.665 504 A N 1.147 124.195 122.820 0.381 0.000 2.462 504 A HA 0.548 4.883 4.320 0.025 0.000 0.243 504 A C 0.738 178.548 177.584 0.377 0.000 1.076 504 A CA -0.383 51.880 52.037 0.376 0.000 0.773 504 A CB 0.392 19.652 19.000 0.434 0.000 1.010 504 A HN 0.419 nan 8.150 nan 0.000 0.493 505 R N 1.283 121.929 120.500 0.242 0.000 2.546 505 R HA 0.344 4.699 4.340 0.025 0.000 0.266 505 R C 0.981 177.245 176.300 -0.062 0.000 1.086 505 R CA -0.733 55.432 56.100 0.109 0.000 1.160 505 R CB 0.625 30.963 30.300 0.063 0.000 1.138 505 R HN 0.482 nan 8.270 nan 0.000 0.567 506 V N 0.600 120.324 119.914 -0.317 0.000 2.283 506 V HA -0.189 3.946 4.120 0.025 0.000 0.243 506 V C 0.954 176.926 176.094 -0.204 0.000 1.039 506 V CA 1.842 63.908 62.300 -0.389 0.000 1.016 506 V CB -0.244 31.225 31.823 -0.590 0.000 0.650 506 V HN 0.742 nan 8.190 nan 0.000 0.449 507 D N -1.439 118.876 120.400 -0.142 0.000 2.454 507 D HA 0.107 4.762 4.640 0.025 0.000 0.214 507 D C 0.870 177.150 176.300 -0.033 0.000 1.088 507 D CA 0.060 54.013 54.000 -0.079 0.000 0.855 507 D CB 0.732 41.491 40.800 -0.069 0.000 1.025 507 D HN 0.472 nan 8.370 nan 0.000 0.502 508 E N 1.910 122.095 120.200 -0.025 0.000 2.167 508 E HA 0.100 4.466 4.350 0.025 0.000 0.284 508 E C -0.785 175.810 176.600 -0.008 0.000 1.016 508 E CA -0.588 55.805 56.400 -0.012 0.000 0.817 508 E CB 0.919 30.614 29.700 -0.009 0.000 1.080 508 E HN -0.160 nan 8.360 nan 0.000 0.397 509 D N 3.667 124.064 120.400 -0.006 0.000 2.339 509 D HA 0.110 4.765 4.640 0.025 0.000 0.245 509 D C -0.494 175.682 176.300 -0.206 0.000 1.115 509 D CA 0.224 54.205 54.000 -0.031 0.000 0.917 509 D CB 1.142 42.003 40.800 0.102 0.000 1.192 509 D HN 0.434 nan 8.370 nan 0.000 0.428 510 Q N 1.416 120.953 119.800 -0.439 0.000 2.932 510 Q HA 0.234 4.589 4.340 0.025 0.000 0.248 510 Q C -2.227 173.032 176.000 -1.235 0.000 0.982 510 Q CA -1.522 53.799 55.803 -0.804 0.000 0.730 510 Q CB 2.270 30.540 28.738 -0.780 0.000 1.249 510 Q HN 0.162 nan 8.270 nan 0.000 0.476 511 P HA -0.000 nan 4.420 nan 0.000 0.225 511 P C -0.594 176.347 177.300 -0.598 0.000 1.768 511 P CA -0.085 62.513 63.100 -0.836 0.000 0.943 511 P CB -0.657 30.770 31.700 -0.456 0.000 1.936 512 F N 1.781 121.542 119.950 -0.316 0.000 2.595 512 F HA 0.092 4.633 4.527 0.024 0.000 0.359 512 F C -1.132 174.552 175.800 -0.193 0.000 1.147 512 F CA -2.078 55.800 58.000 -0.203 0.000 1.341 512 F CB -0.779 38.122 39.000 -0.165 0.000 1.104 512 F HN 0.073 nan 8.300 nan 0.000 0.603 513 P HA 0.144 nan 4.420 nan 0.000 0.271 513 P C 0.299 177.612 177.300 0.022 0.000 1.216 513 P CA 0.908 64.020 63.100 0.020 0.000 0.776 513 P CB 1.245 32.958 31.700 0.022 0.000 0.881 514 A N 2.669 125.495 122.820 0.009 0.000 3.275 514 A HA -0.240 4.095 4.320 0.025 0.000 0.241 514 A C 0.689 178.283 177.584 0.016 0.000 0.607 514 A CA 2.015 54.063 52.037 0.018 0.000 1.181 514 A CB -2.670 16.343 19.000 0.021 0.000 1.304 514 A HN 0.686 nan 8.150 nan 0.000 0.682 515 V N -3.066 116.854 119.914 0.010 0.000 2.468 515 V HA 0.558 4.693 4.120 0.025 0.000 0.256 515 V C -2.397 173.687 176.094 -0.016 0.000 0.998 515 V CA -1.295 61.014 62.300 0.015 0.000 1.114 515 V CB 0.602 32.441 31.823 0.027 0.000 1.378 515 V HN 0.475 nan 8.190 nan 0.000 0.573 516 P HA 0.213 nan 4.420 nan 0.000 0.269 516 P C -0.545 176.320 177.300 -0.724 0.000 1.215 516 P CA 0.225 62.914 63.100 -0.685 0.000 0.780 516 P CB 0.971 31.789 31.700 -1.470 0.000 0.898 517 K N 2.345 122.355 120.400 -0.650 0.000 2.419 517 K HA 0.189 4.525 4.320 0.025 0.000 0.244 517 K C -0.423 175.866 176.600 -0.519 0.000 1.045 517 K CA -0.293 55.817 56.287 -0.295 0.000 1.004 517 K CB 0.322 32.916 32.500 0.157 0.000 1.376 517 K HN 0.471 nan 8.250 nan 0.000 0.460 518 W N 1.318 122.252 121.300 -0.610 0.000 2.126 518 W HA 0.031 4.707 4.660 0.026 0.000 0.346 518 W C 1.356 177.852 176.519 -0.037 0.000 1.279 518 W CA -0.313 56.775 57.345 -0.428 0.000 1.259 518 W CB 0.443 29.437 29.460 -0.777 0.000 1.133 518 W HN 0.370 nan 8.180 nan 0.000 0.592 519 S N 3.154 118.990 115.700 0.227 0.000 2.573 519 S HA -0.099 4.386 4.470 0.025 0.000 0.297 519 S C 1.200 175.943 174.600 0.239 0.000 1.280 519 S CA -0.023 58.266 58.200 0.148 0.000 1.061 519 S CB 0.160 63.401 63.200 0.068 0.000 0.812 519 S HN 0.506 nan 8.310 nan 0.000 0.500 520 I N 2.109 122.787 120.570 0.179 0.000 2.286 520 I HA -0.126 4.059 4.170 0.025 0.000 0.248 520 I C 2.072 178.210 176.117 0.036 0.000 1.115 520 I CA 1.250 62.657 61.300 0.180 0.000 1.392 520 I CB -0.419 37.630 38.000 0.081 0.000 1.065 520 I HN 0.595 nan 8.210 nan 0.000 0.418 521 K N 1.510 121.824 120.400 -0.143 0.000 2.097 521 K HA -0.158 4.177 4.320 0.025 0.000 0.205 521 K C 2.309 178.885 176.600 -0.040 0.000 1.050 521 K CA 1.679 57.784 56.287 -0.302 0.000 0.938 521 K CB -0.177 32.066 32.500 -0.428 0.000 0.718 521 K HN 0.382 nan 8.250 nan 0.000 0.442 522 K N 0.041 120.448 120.400 0.012 0.000 2.103 522 K HA -0.165 4.170 4.320 0.025 0.000 0.204 522 K C 1.883 178.501 176.600 0.029 0.000 1.052 522 K CA 0.823 57.107 56.287 -0.005 0.000 0.945 522 K CB -0.072 32.395 32.500 -0.055 0.000 0.722 522 K HN 0.208 nan 8.250 nan 0.000 0.443 523 W N 2.168 123.446 121.300 -0.037 0.000 2.338 523 W HA -0.172 4.498 4.660 0.018 0.000 0.304 523 W C 1.599 178.088 176.519 -0.049 0.000 1.212 523 W CA 1.080 58.408 57.345 -0.028 0.000 1.264 523 W CB -0.610 28.914 29.460 0.108 0.000 1.142 523 W HN 0.081 nan 8.180 nan 0.000 0.512 524 L N 0.875 122.247 121.223 0.249 0.000 2.127 524 L HA -0.239 4.117 4.340 0.025 0.000 0.211 524 L C 2.139 179.071 176.870 0.103 0.000 1.089 524 L CA 1.945 56.867 54.840 0.137 0.000 0.757 524 L CB -0.921 41.206 42.059 0.112 0.000 0.899 524 L HN -0.006 nan 8.230 nan 0.000 0.434 525 S N -1.488 114.257 115.700 0.075 0.000 2.575 525 S HA 0.286 4.772 4.470 0.025 0.000 0.237 525 S C 0.480 175.063 174.600 -0.028 0.000 0.975 525 S CA -0.561 57.655 58.200 0.027 0.000 0.960 525 S CB -0.372 62.844 63.200 0.026 0.000 0.822 525 S HN 0.138 nan 8.310 nan 0.000 0.472 526 L N 1.803 122.998 121.223 -0.047 0.000 2.483 526 L HA 0.274 4.629 4.340 0.025 0.000 0.275 526 L C -2.213 174.616 176.870 -0.068 0.000 1.220 526 L CA -1.944 52.815 54.840 -0.136 0.000 0.833 526 L CB -0.290 41.650 42.059 -0.199 0.000 1.102 526 L HN 0.020 nan 8.230 nan 0.000 0.490 527 P HA -0.021 nan 4.420 nan 0.000 0.260 527 P C 0.705 177.992 177.300 -0.021 0.000 1.172 527 P CA 1.090 64.161 63.100 -0.049 0.000 0.760 527 P CB 0.520 32.186 31.700 -0.057 0.000 0.773 528 G N 1.793 110.588 108.800 -0.008 0.000 2.234 528 G HA2 -0.281 3.694 3.960 0.025 0.000 0.260 528 G HA3 -0.281 3.694 3.960 0.025 0.000 0.260 528 G C 0.298 175.209 174.900 0.019 0.000 0.987 528 G CA 0.185 45.288 45.100 0.006 0.000 0.625 528 G HN 0.615 nan 8.290 nan 0.000 0.532 529 E N 1.004 121.220 120.200 0.027 0.000 2.338 529 E HA 0.601 4.966 4.350 0.025 0.000 0.272 529 E C 1.335 177.956 176.600 0.034 0.000 1.029 529 E CA 0.719 57.146 56.400 0.046 0.000 0.872 529 E CB 0.811 30.564 29.700 0.088 0.000 1.015 529 E HN 0.552 nan 8.360 nan 0.000 0.417 530 T N 0.475 115.047 114.554 0.029 0.000 3.131 530 T HA 0.322 4.687 4.350 0.025 0.000 0.283 530 T C 0.539 175.247 174.700 0.013 0.000 0.906 530 T CA -0.478 61.634 62.100 0.021 0.000 0.882 530 T CB 0.071 68.951 68.868 0.019 0.000 1.208 530 T HN 0.250 nan 8.240 nan 0.000 0.561 531 R N 2.402 122.906 120.500 0.005 0.000 2.637 531 R HA 0.465 4.820 4.340 0.025 0.000 0.269 531 R C -2.512 173.768 176.300 -0.034 0.000 1.089 531 R CA -1.828 54.265 56.100 -0.012 0.000 1.177 531 R CB 0.114 30.399 30.300 -0.025 0.000 1.091 531 R HN 0.230 nan 8.270 nan 0.000 0.540 532 P HA 0.067 nan 4.420 nan 0.000 0.274 532 P C -1.058 176.175 177.300 -0.112 0.000 1.237 532 P CA -0.088 62.972 63.100 -0.067 0.000 0.793 532 P CB 0.673 32.335 31.700 -0.064 0.000 0.977 533 L N 2.434 123.571 121.223 -0.143 0.000 2.349 533 L HA 0.580 4.936 4.340 0.025 0.000 0.278 533 L C -1.021 175.713 176.870 -0.227 0.000 0.996 533 L CA -0.664 54.054 54.840 -0.202 0.000 0.825 533 L CB 0.646 42.580 42.059 -0.209 0.000 1.243 533 L HN 0.235 nan 8.230 nan 0.000 0.412 534 I N 5.631 126.074 120.570 -0.212 0.000 2.500 534 I HA 0.261 4.446 4.170 0.025 0.000 0.286 534 I C -0.786 175.250 176.117 -0.135 0.000 1.063 534 I CA -0.538 60.623 61.300 -0.232 0.000 1.062 534 I CB 2.024 39.947 38.000 -0.128 0.000 1.223 534 I HN 0.473 nan 8.210 nan 0.000 0.435 535 L N 5.515 126.633 121.223 -0.175 0.000 2.455 535 L HA 0.046 4.402 4.340 0.025 0.000 0.272 535 L C 1.485 178.450 176.870 0.158 0.000 1.174 535 L CA -0.098 54.714 54.840 -0.047 0.000 0.869 535 L CB 0.728 42.750 42.059 -0.061 0.000 1.130 535 L HN 0.867 nan 8.230 nan 0.000 0.474 536 C N 0.802 120.171 119.300 0.114 0.000 2.448 536 C HA 0.096 4.572 4.460 0.025 0.000 0.280 536 C C 0.712 175.866 174.990 0.273 0.000 1.398 536 C CA -0.128 59.002 59.018 0.187 0.000 1.774 536 C CB -0.956 26.800 27.740 0.027 0.000 1.888 536 C HN 0.812 nan 8.230 nan 0.000 0.519 537 Q N -0.536 119.361 119.800 0.161 0.000 2.295 537 Q HA 0.619 4.974 4.340 0.025 0.000 0.268 537 Q C -1.457 174.550 176.000 0.012 0.000 1.010 537 Q CA -0.335 55.554 55.803 0.143 0.000 0.856 537 Q CB 2.285 30.922 28.738 -0.168 0.000 1.349 537 Q HN 0.760 nan 8.270 nan 0.000 0.412 538 Y N -0.408 119.927 120.300 0.060 0.000 2.624 538 Y HA 0.809 5.375 4.550 0.027 0.000 0.334 538 Y C -0.717 175.339 175.900 0.260 0.000 1.155 538 Y CA -0.771 57.346 58.100 0.028 0.000 1.046 538 Y CB 0.908 39.215 38.460 -0.254 0.000 1.316 538 Y HN 0.938 nan 8.280 nan 0.000 0.457 539 A N 1.574 124.485 122.820 0.152 0.000 2.443 539 A HA -0.027 4.308 4.320 0.025 0.000 0.686 539 A C -1.306 176.529 177.584 0.419 0.000 0.144 539 A CA 0.647 52.797 52.037 0.189 0.000 0.033 539 A CB -1.347 17.681 19.000 0.047 0.000 3.972 539 A HN 1.654 nan 8.150 nan 0.000 0.548 540 H N 0.964 120.165 119.070 0.219 0.000 3.108 540 H HA 0.516 5.087 4.556 0.025 0.000 0.301 540 H C 0.194 175.588 175.328 0.110 0.000 1.139 540 H CA 0.294 56.513 56.048 0.285 0.000 1.552 540 H CB 0.710 30.504 29.762 0.053 0.000 1.663 540 H HN 1.542 nan 8.280 nan 0.000 0.517 541 A N 6.198 128.954 122.820 -0.106 0.000 2.810 541 A HA 0.116 4.451 4.320 0.025 0.000 0.247 541 A C 0.702 178.104 177.584 -0.302 0.000 1.576 541 A CA -0.316 51.602 52.037 -0.198 0.000 1.294 541 A CB -0.771 18.107 19.000 -0.203 0.000 0.976 541 A HN 0.710 nan 8.150 nan 0.000 0.631 542 M N 1.475 120.917 119.600 -0.263 0.000 2.084 542 M HA 0.475 4.970 4.480 0.025 0.000 0.351 542 M C 0.910 176.986 176.300 -0.372 0.000 1.240 542 M CA 1.107 56.234 55.300 -0.289 0.000 1.083 542 M CB 0.072 32.594 32.600 -0.129 0.000 1.593 542 M HN 0.850 nan 8.290 nan 0.000 0.463 543 G N 4.217 112.719 108.800 -0.497 0.000 2.564 543 G HA2 -0.335 3.640 3.960 0.025 0.000 0.273 543 G HA3 -0.335 3.640 3.960 0.025 0.000 0.273 543 G C -0.285 174.032 174.900 -0.971 0.000 1.242 543 G CA -0.010 44.652 45.100 -0.730 0.000 0.951 543 G HN 0.853 nan 8.290 nan 0.000 0.564 544 N N 1.099 119.112 118.700 -1.144 0.000 2.421 544 N HA 0.500 5.255 4.740 0.025 0.000 0.260 544 N C 0.089 175.309 175.510 -0.483 0.000 1.173 544 N CA 1.067 53.606 53.050 -0.852 0.000 0.960 544 N CB 0.561 38.562 38.487 -0.809 0.000 1.273 544 N HN 0.877 nan 8.380 nan 0.000 0.497 545 S N 2.280 117.773 115.700 -0.344 0.000 3.121 545 S HA 0.568 5.053 4.470 0.025 0.000 0.324 545 S C -0.090 174.424 174.600 -0.144 0.000 1.192 545 S CA -0.293 57.772 58.200 -0.225 0.000 0.937 545 S CB -0.064 63.015 63.200 -0.202 0.000 1.336 545 S HN 0.359 nan 8.310 nan 0.000 0.664 546 L N 0.065 121.249 121.223 -0.065 0.000 4.800 546 L HA -0.063 4.292 4.340 0.025 0.000 0.412 546 L C 0.559 177.471 176.870 0.070 0.000 1.063 546 L CA 0.916 55.752 54.840 -0.006 0.000 1.114 546 L CB -1.749 40.220 42.059 -0.151 0.000 2.089 546 L HN 0.741 nan 8.230 nan 0.000 0.686 547 G N -0.824 107.983 108.800 0.012 0.000 2.365 547 G HA2 0.467 4.442 3.960 0.025 0.000 0.249 547 G HA3 0.467 4.442 3.960 0.025 0.000 0.249 547 G C 1.228 176.178 174.900 0.083 0.000 1.288 547 G CA 0.178 45.267 45.100 -0.018 0.000 0.887 547 G HN 1.350 nan 8.290 nan 0.000 0.524 548 G N 1.699 110.547 108.800 0.079 0.000 2.175 548 G HA2 -0.313 3.662 3.960 0.025 0.000 0.244 548 G HA3 -0.313 3.662 3.960 0.025 0.000 0.244 548 G C 1.009 176.099 174.900 0.315 0.000 0.982 548 G CA 0.721 45.925 45.100 0.173 0.000 0.641 548 G HN 0.751 nan 8.290 nan 0.000 0.527 549 F N 1.891 121.967 119.950 0.209 0.000 2.126 549 F HA 0.109 4.652 4.527 0.026 0.000 0.299 549 F C 2.707 178.725 175.800 0.363 0.000 1.096 549 F CA 2.627 60.826 58.000 0.331 0.000 1.255 549 F CB -0.430 38.707 39.000 0.227 0.000 0.997 549 F HN 0.348 nan 8.300 nan 0.000 0.479 550 A N -0.469 122.536 122.820 0.308 0.000 2.019 550 A HA -0.239 4.096 4.320 0.025 0.000 0.219 550 A C 2.269 179.883 177.584 0.050 0.000 1.164 550 A CA 1.725 53.872 52.037 0.183 0.000 0.644 550 A CB -0.804 18.302 19.000 0.177 0.000 0.805 550 A HN 0.458 nan 8.150 nan 0.000 0.449 551 K N -1.633 118.775 120.400 0.013 0.000 2.097 551 K HA -0.160 4.176 4.320 0.025 0.000 0.205 551 K C 1.646 178.019 176.600 -0.378 0.000 1.050 551 K CA 1.507 57.713 56.287 -0.135 0.000 0.938 551 K CB -0.284 32.140 32.500 -0.126 0.000 0.718 551 K HN 0.593 nan 8.250 nan 0.000 0.442 552 Y N -0.987 119.032 120.300 -0.467 0.000 2.200 552 Y HA -0.217 4.347 4.550 0.024 0.000 0.290 552 Y C 1.912 176.852 175.900 -1.600 0.000 1.137 552 Y CA 1.394 58.849 58.100 -1.075 0.000 1.163 552 Y CB -0.239 37.546 38.460 -1.125 0.000 0.988 552 Y HN 0.161 nan 8.280 nan 0.000 0.518 553 W N 0.029 120.915 121.300 -0.690 0.000 2.363 553 W HA -0.191 4.486 4.660 0.028 0.000 0.296 553 W C 2.611 178.964 176.519 -0.276 0.000 1.212 553 W CA 1.446 58.516 57.345 -0.458 0.000 1.260 553 W CB -0.527 28.765 29.460 -0.279 0.000 1.131 553 W HN 0.043 nan 8.180 nan 0.000 0.530 554 Q N 0.838 120.558 119.800 -0.133 0.000 2.084 554 Q HA -0.160 4.195 4.340 0.025 0.000 0.202 554 Q C 2.177 178.118 176.000 -0.098 0.000 0.978 554 Q CA 2.030 57.793 55.803 -0.066 0.000 0.844 554 Q CB -0.582 28.131 28.738 -0.043 0.000 0.898 554 Q HN 0.266 nan 8.270 nan 0.000 0.426 555 A N 0.033 122.699 122.820 -0.255 0.000 1.898 555 A HA -0.106 4.229 4.320 0.025 0.000 0.216 555 A C 2.056 179.604 177.584 -0.060 0.000 1.181 555 A CA 1.078 52.995 52.037 -0.200 0.000 0.620 555 A CB -1.070 17.681 19.000 -0.414 0.000 0.819 555 A HN 0.474 nan 8.150 nan 0.000 0.442 556 F N -0.448 119.322 119.950 -0.300 0.000 2.161 556 F HA -0.208 4.334 4.527 0.026 0.000 0.300 556 F C 2.755 178.457 175.800 -0.165 0.000 1.089 556 F CA 1.124 58.920 58.000 -0.340 0.000 1.282 556 F CB -0.142 38.428 39.000 -0.716 0.000 1.010 556 F HN 0.156 nan 8.300 nan 0.000 0.485 557 R N -0.074 120.477 120.500 0.085 0.000 2.153 557 R HA -0.127 4.228 4.340 0.025 0.000 0.218 557 R C 2.078 178.410 176.300 0.054 0.000 1.072 557 R CA 0.810 56.946 56.100 0.061 0.000 0.990 557 R CB -0.289 30.044 30.300 0.054 0.000 0.889 557 R HN 0.375 nan 8.270 nan 0.000 0.452 558 Q N -0.335 119.523 119.800 0.097 0.000 2.212 558 Q HA -0.048 4.307 4.340 0.025 0.000 0.199 558 Q C -0.465 175.550 176.000 0.025 0.000 0.950 558 Q CA 0.888 56.731 55.803 0.068 0.000 0.863 558 Q CB 0.392 29.204 28.738 0.124 0.000 0.944 558 Q HN 0.177 nan 8.270 nan 0.000 0.465 559 Y N 0.243 120.524 120.300 -0.033 0.000 2.385 559 Y HA 0.263 4.827 4.550 0.022 0.000 0.341 559 Y C -1.779 174.095 175.900 -0.043 0.000 0.965 559 Y CA -2.743 55.338 58.100 -0.032 0.000 1.180 559 Y CB 1.434 39.880 38.460 -0.025 0.000 1.139 559 Y HN 0.127 nan 8.280 nan 0.000 0.502 560 P HA -0.201 nan 4.420 nan 0.000 0.216 560 P C 1.180 178.482 177.300 0.003 0.000 1.157 560 P CA 1.960 65.061 63.100 0.001 0.000 0.880 560 P CB 0.296 31.982 31.700 -0.024 0.000 0.791 561 R N -1.215 119.306 120.500 0.035 0.000 2.316 561 R HA 0.063 4.418 4.340 0.025 0.000 0.202 561 R C 0.487 176.767 176.300 -0.033 0.000 1.029 561 R CA 0.179 56.281 56.100 0.003 0.000 1.018 561 R CB -0.542 29.770 30.300 0.020 0.000 0.888 561 R HN 0.247 nan 8.270 nan 0.000 0.471 562 L N 1.896 123.118 121.223 -0.001 0.000 2.334 562 L HA 0.108 4.463 4.340 0.025 0.000 0.286 562 L C 0.622 177.343 176.870 -0.249 0.000 1.108 562 L CA 0.195 54.983 54.840 -0.087 0.000 0.875 562 L CB 1.008 43.094 42.059 0.044 0.000 1.246 562 L HN 0.084 nan 8.230 nan 0.000 0.439 563 Q N 2.677 122.256 119.800 -0.368 0.000 2.201 563 Q HA 0.296 4.651 4.340 0.025 0.000 0.217 563 Q C 0.851 176.435 176.000 -0.693 0.000 0.860 563 Q CA 0.136 55.691 55.803 -0.415 0.000 0.984 563 Q CB 1.002 29.588 28.738 -0.253 0.000 1.095 563 Q HN 0.964 nan 8.270 nan 0.000 0.477 564 G N -0.349 107.674 108.800 -1.295 0.000 2.384 564 G HA2 0.105 4.081 3.960 0.025 0.000 0.200 564 G HA3 0.105 4.081 3.960 0.025 0.000 0.200 564 G C -0.286 173.766 174.900 -1.413 0.000 1.205 564 G CA -0.728 43.205 45.100 -1.946 0.000 1.116 564 G HN 0.569 nan 8.290 nan 0.000 0.547 565 G N -2.136 106.144 108.800 -0.867 0.000 2.322 565 G HA2 0.627 4.602 3.960 0.025 0.000 0.295 565 G HA3 0.627 4.602 3.960 0.025 0.000 0.295 565 G C -1.848 172.977 174.900 -0.125 0.000 1.369 565 G CA -0.278 44.551 45.100 -0.452 0.000 0.821 565 G HN 1.131 nan 8.290 nan 0.000 0.536 566 F N 0.715 120.924 119.950 0.432 0.000 2.403 566 F HA 0.521 5.062 4.527 0.023 0.000 0.355 566 F C 0.818 176.887 175.800 0.448 0.000 1.119 566 F CA -0.730 57.527 58.000 0.428 0.000 1.007 566 F CB 2.035 41.187 39.000 0.253 0.000 1.194 566 F HN 0.253 nan 8.300 nan 0.000 0.443 567 V N 3.386 123.565 119.914 0.442 0.000 2.872 567 V HA -0.143 3.992 4.120 0.025 0.000 0.307 567 V C -0.209 176.010 176.094 0.209 0.000 1.072 567 V CA -0.262 62.094 62.300 0.093 0.000 1.148 567 V CB 0.788 32.719 31.823 0.179 0.000 0.954 567 V HN 0.760 nan 8.190 nan 0.000 0.490 568 W N 6.451 127.806 121.300 0.092 0.000 2.278 568 W HA 0.431 5.106 4.660 0.025 0.000 0.317 568 W C -0.790 175.747 176.519 0.029 0.000 1.030 568 W CA -0.634 56.812 57.345 0.167 0.000 1.334 568 W CB 1.209 30.915 29.460 0.410 0.000 1.215 568 W HN 0.921 nan 8.180 nan 0.000 0.405 569 D N 2.795 122.843 120.400 -0.587 0.000 2.895 569 D HA 0.093 4.748 4.640 0.025 0.000 0.320 569 D C 0.646 176.755 176.300 -0.319 0.000 1.249 569 D CA -0.548 53.025 54.000 -0.712 0.000 0.997 569 D CB 0.164 40.031 40.800 -1.555 0.000 1.430 569 D HN 0.416 nan 8.370 nan 0.000 0.558 570 W N 0.422 121.455 121.300 -0.446 0.000 2.413 570 W HA 0.159 4.834 4.660 0.025 0.000 0.315 570 W C -0.151 176.216 176.519 -0.254 0.000 1.186 570 W CA 1.038 58.182 57.345 -0.335 0.000 1.326 570 W CB 0.371 29.646 29.460 -0.309 0.000 1.153 570 W HN 0.148 nan 8.180 nan 0.000 0.489 571 V N 2.554 122.277 119.914 -0.318 0.000 2.789 571 V HA 0.247 4.383 4.120 0.025 0.000 0.311 571 V C -0.912 175.026 176.094 -0.261 0.000 1.073 571 V CA -0.807 61.261 62.300 -0.387 0.000 0.921 571 V CB 1.603 33.270 31.823 -0.260 0.000 1.009 571 V HN -0.112 nan 8.190 nan 0.000 0.426 572 D N 3.867 124.125 120.400 -0.237 0.000 2.488 572 D HA 0.126 4.781 4.640 0.025 0.000 0.238 572 D C 0.242 176.375 176.300 -0.278 0.000 1.138 572 D CA 0.597 54.484 54.000 -0.188 0.000 0.873 572 D CB 0.889 41.646 40.800 -0.071 0.000 1.183 572 D HN 0.604 nan 8.370 nan 0.000 0.458 573 Q N 1.055 120.616 119.800 -0.400 0.000 3.122 573 Q HA 0.142 4.497 4.340 0.025 0.000 0.360 573 Q C -0.114 175.810 176.000 -0.126 0.000 1.300 573 Q CA -0.350 54.964 55.803 -0.816 0.000 0.982 573 Q CB 0.059 28.452 28.738 -0.574 0.000 1.534 573 Q HN 0.354 nan 8.270 nan 0.000 0.474 574 S N -0.098 115.641 115.700 0.065 0.000 2.616 574 S HA 0.641 5.126 4.470 0.025 0.000 0.277 574 S C -0.132 174.635 174.600 0.279 0.000 1.234 574 S CA -0.751 57.612 58.200 0.271 0.000 1.028 574 S CB 1.435 64.775 63.200 0.235 0.000 0.988 574 S HN 0.337 nan 8.310 nan 0.000 0.522 575 L N 1.687 122.996 121.223 0.143 0.000 2.341 575 L HA 0.539 4.894 4.340 0.025 0.000 0.267 575 L C -0.475 176.293 176.870 -0.169 0.000 1.009 575 L CA -1.214 53.583 54.840 -0.071 0.000 0.819 575 L CB 1.536 43.426 42.059 -0.282 0.000 1.323 575 L HN 0.556 nan 8.230 nan 0.000 0.425 576 I N 2.230 122.646 120.570 -0.258 0.000 2.395 576 I HA 0.281 4.466 4.170 0.025 0.000 0.289 576 I C 0.111 175.825 176.117 -0.672 0.000 1.023 576 I CA -0.053 60.966 61.300 -0.468 0.000 1.350 576 I CB 1.089 38.831 38.000 -0.431 0.000 1.409 576 I HN 0.575 nan 8.210 nan 0.000 0.507 577 K N 5.333 125.059 120.400 -1.124 0.000 2.400 577 K HA 0.570 4.905 4.320 0.025 0.000 0.246 577 K C -1.585 174.206 176.600 -1.348 0.000 0.995 577 K CA -0.732 54.830 56.287 -1.208 0.000 0.840 577 K CB 2.352 33.905 32.500 -1.578 0.000 1.293 577 K HN 0.239 nan 8.250 nan 0.000 0.445 578 Y N 0.873 120.956 120.300 -0.363 0.000 2.376 578 Y HA 0.122 4.687 4.550 0.025 0.000 0.340 578 Y C 0.141 176.139 175.900 0.163 0.000 0.965 578 Y CA -1.112 56.949 58.100 -0.065 0.000 1.078 578 Y CB 1.290 39.720 38.460 -0.049 0.000 1.193 578 Y HN 0.677 nan 8.280 nan 0.000 0.452 579 D N 0.417 121.067 120.400 0.417 0.000 2.414 579 D HA -0.016 4.640 4.640 0.025 0.000 0.251 579 D C 0.887 177.295 176.300 0.180 0.000 1.252 579 D CA -0.372 53.810 54.000 0.303 0.000 0.999 579 D CB 0.542 41.455 40.800 0.188 0.000 1.093 579 D HN 0.777 nan 8.370 nan 0.000 0.515 580 E N -0.552 119.714 120.200 0.110 0.000 2.265 580 E HA -0.222 4.143 4.350 0.025 0.000 0.196 580 E C 0.582 177.220 176.600 0.063 0.000 0.996 580 E CA 0.745 57.188 56.400 0.071 0.000 0.832 580 E CB -0.468 29.256 29.700 0.040 0.000 0.756 580 E HN 0.299 nan 8.360 nan 0.000 0.491 581 N N 0.508 119.253 118.700 0.075 0.000 2.398 581 N HA 0.047 4.803 4.740 0.025 0.000 0.188 581 N C 0.976 176.533 175.510 0.079 0.000 1.122 581 N CA 0.898 53.986 53.050 0.063 0.000 0.866 581 N CB 1.057 39.578 38.487 0.057 0.000 0.970 581 N HN 0.463 nan 8.380 nan 0.000 0.462 582 G N 0.525 109.396 108.800 0.117 0.000 2.159 582 G HA2 -0.251 3.725 3.960 0.025 0.000 0.256 582 G HA3 -0.251 3.725 3.960 0.025 0.000 0.256 582 G C -0.079 174.961 174.900 0.233 0.000 0.977 582 G CA -0.325 44.851 45.100 0.127 0.000 0.652 582 G HN 0.288 nan 8.290 nan 0.000 0.531 583 N N 1.697 120.534 118.700 0.229 0.000 2.498 583 N HA 0.468 5.223 4.740 0.025 0.000 0.287 583 N C -2.474 173.186 175.510 0.250 0.000 1.097 583 N CA -1.177 52.011 53.050 0.230 0.000 0.973 583 N CB 1.725 40.307 38.487 0.159 0.000 1.153 583 N HN 0.158 nan 8.380 nan 0.000 0.472 584 P HA 0.210 nan 4.420 nan 0.000 0.275 584 P C -0.556 176.709 177.300 -0.059 0.000 1.228 584 P CA -0.209 62.763 63.100 -0.214 0.000 0.786 584 P CB 0.598 32.185 31.700 -0.187 0.000 0.927 585 W N -0.394 120.666 121.300 -0.400 0.000 3.167 585 W HA 0.422 5.097 4.660 0.025 0.000 0.324 585 W C -1.475 174.866 176.519 -0.296 0.000 1.230 585 W CA -1.064 56.062 57.345 -0.364 0.000 1.184 585 W CB 0.391 29.428 29.460 -0.706 0.000 1.414 585 W HN 0.115 nan 8.180 nan 0.000 0.551 586 S N 1.757 117.531 115.700 0.124 0.000 2.474 586 S HA 0.569 5.055 4.470 0.025 0.000 0.276 586 S C 0.176 174.948 174.600 0.287 0.000 1.227 586 S CA -0.206 58.062 58.200 0.114 0.000 1.050 586 S CB 0.855 64.179 63.200 0.208 0.000 0.939 586 S HN 0.606 nan 8.310 nan 0.000 0.490 587 A N 2.990 125.835 122.820 0.041 0.000 2.337 587 A HA 0.881 5.216 4.320 0.025 0.000 0.331 587 A C -0.695 177.140 177.584 0.419 0.000 1.137 587 A CA -0.764 51.338 52.037 0.108 0.000 0.807 587 A CB 0.718 19.476 19.000 -0.403 0.000 1.250 587 A HN 0.833 nan 8.150 nan 0.000 0.468 588 Y N -0.518 120.095 120.300 0.520 0.000 3.048 588 Y HA 0.791 5.356 4.550 0.026 0.000 0.305 588 Y C 0.662 176.925 175.900 0.605 0.000 1.538 588 Y CA -1.396 57.013 58.100 0.514 0.000 1.082 588 Y CB -0.116 38.481 38.460 0.229 0.000 1.388 588 Y HN 0.893 nan 8.280 nan 0.000 0.557 589 G N -0.388 108.818 108.800 0.677 0.000 2.414 589 G HA2 0.376 4.351 3.960 0.025 0.000 0.236 589 G HA3 0.376 4.351 3.960 0.025 0.000 0.236 589 G C 0.949 176.170 174.900 0.535 0.000 1.293 589 G CA 0.317 45.741 45.100 0.541 0.000 0.869 589 G HN 1.965 nan 8.290 nan 0.000 0.556 590 G N 1.841 110.914 108.800 0.455 0.000 2.253 590 G HA2 -0.289 3.687 3.960 0.025 0.000 0.251 590 G HA3 -0.289 3.687 3.960 0.025 0.000 0.251 590 G C 0.929 176.013 174.900 0.307 0.000 0.998 590 G CA 0.735 46.040 45.100 0.342 0.000 0.621 590 G HN 0.641 nan 8.290 nan 0.000 0.524 591 D N -0.223 120.368 120.400 0.318 0.000 2.371 591 D HA 0.120 4.775 4.640 0.025 0.000 0.221 591 D C 1.407 177.565 176.300 -0.237 0.000 0.986 591 D CA 0.530 54.555 54.000 0.043 0.000 0.899 591 D CB -0.198 40.578 40.800 -0.040 0.000 0.902 591 D HN 0.490 nan 8.370 nan 0.000 0.530 592 F N -0.813 119.259 119.950 0.203 0.000 2.639 592 F HA 0.306 4.849 4.527 0.025 0.000 0.302 592 F C 1.798 177.681 175.800 0.138 0.000 1.097 592 F CA -0.086 57.993 58.000 0.131 0.000 1.294 592 F CB 0.803 39.880 39.000 0.128 0.000 1.027 592 F HN -0.036 nan 8.300 nan 0.000 0.550 593 G N 0.317 109.270 108.800 0.255 0.000 2.176 593 G HA2 -0.257 3.718 3.960 0.025 0.000 0.253 593 G HA3 -0.257 3.718 3.960 0.025 0.000 0.253 593 G C -0.270 174.764 174.900 0.223 0.000 0.979 593 G CA 0.054 45.274 45.100 0.199 0.000 0.641 593 G HN 0.381 nan 8.290 nan 0.000 0.530 594 D N 0.556 121.137 120.400 0.301 0.000 2.383 594 D HA 0.518 5.173 4.640 0.025 0.000 0.252 594 D C 0.113 176.530 176.300 0.195 0.000 1.166 594 D CA 0.848 55.012 54.000 0.273 0.000 0.879 594 D CB 1.670 42.689 40.800 0.365 0.000 1.164 594 D HN 0.403 nan 8.370 nan 0.000 0.462 595 T N 1.089 115.726 114.554 0.139 0.000 3.159 595 T HA 0.418 4.783 4.350 0.025 0.000 0.343 595 T C -2.792 171.942 174.700 0.056 0.000 1.364 595 T CA -1.134 61.019 62.100 0.089 0.000 1.102 595 T CB 1.066 69.989 68.868 0.090 0.000 1.263 595 T HN 0.203 nan 8.240 nan 0.000 0.477 596 P HA 0.508 nan 4.420 nan 0.000 0.272 596 P C -0.965 176.321 177.300 -0.024 0.000 1.240 596 P CA -0.297 62.799 63.100 -0.006 0.000 0.791 596 P CB 0.337 32.009 31.700 -0.048 0.000 0.978 597 N N -1.835 116.845 118.700 -0.033 0.000 2.708 597 N HA 0.274 5.029 4.740 0.025 0.000 0.257 597 N C -1.187 174.260 175.510 -0.105 0.000 1.373 597 N CA -0.741 52.264 53.050 -0.076 0.000 0.843 597 N CB 0.822 39.356 38.487 0.079 0.000 1.503 597 N HN 0.081 nan 8.380 nan 0.000 0.504 598 D N -0.154 120.118 120.400 -0.212 0.000 2.643 598 D HA 0.134 4.789 4.640 0.025 0.000 0.244 598 D C 0.459 176.940 176.300 0.303 0.000 1.257 598 D CA -0.100 53.856 54.000 -0.073 0.000 0.831 598 D CB 0.172 40.785 40.800 -0.311 0.000 1.043 598 D HN 0.734 nan 8.370 nan 0.000 0.488 599 R N 0.818 121.507 120.500 0.315 0.000 3.750 599 R HA -0.316 4.039 4.340 0.025 0.000 0.495 599 R C 1.062 177.421 176.300 0.097 0.000 0.241 599 R CA 1.462 57.755 56.100 0.321 0.000 1.551 599 R CB -1.594 28.815 30.300 0.182 0.000 0.956 599 R HN 0.141 nan 8.270 nan 0.000 0.584 600 Q N 1.509 121.011 119.800 -0.496 0.000 2.482 600 Q HA 0.001 4.356 4.340 0.025 0.000 0.209 600 Q C 1.527 177.254 176.000 -0.456 0.000 0.961 600 Q CA 1.298 56.617 55.803 -0.806 0.000 0.945 600 Q CB 0.030 28.039 28.738 -1.216 0.000 1.012 600 Q HN 0.610 nan 8.270 nan 0.000 0.515 601 F N 1.443 121.339 119.950 -0.089 0.000 2.641 601 F HA -0.103 4.440 4.527 0.025 0.000 0.298 601 F C 2.212 177.987 175.800 -0.042 0.000 1.146 601 F CA 0.937 58.958 58.000 0.035 0.000 1.464 601 F CB -0.119 38.968 39.000 0.146 0.000 1.101 601 F HN 0.417 nan 8.300 nan 0.000 0.585 602 C N -1.151 117.925 119.300 -0.373 0.000 2.539 602 C HA 0.211 4.686 4.460 0.025 0.000 0.271 602 C C 0.968 175.761 174.990 -0.328 0.000 1.412 602 C CA -0.463 58.117 59.018 -0.729 0.000 1.729 602 C CB -1.687 24.990 27.740 -1.772 0.000 1.739 602 C HN 0.207 nan 8.230 nan 0.000 0.570 603 M N 2.502 121.966 119.600 -0.227 0.000 2.027 603 M HA 0.287 4.782 4.480 0.025 0.000 0.329 603 M C -0.414 175.773 176.300 -0.188 0.000 0.971 603 M CA 0.307 55.500 55.300 -0.178 0.000 0.933 603 M CB 0.212 32.734 32.600 -0.130 0.000 1.392 603 M HN 0.346 nan 8.290 nan 0.000 0.394 604 N N 0.943 119.532 118.700 -0.185 0.000 2.305 604 N HA 0.203 4.959 4.740 0.025 0.000 0.248 604 N C 0.308 175.638 175.510 -0.301 0.000 1.290 604 N CA -0.557 52.343 53.050 -0.249 0.000 0.873 604 N CB 1.280 39.688 38.487 -0.132 0.000 1.261 604 N HN 0.655 nan 8.380 nan 0.000 0.504 605 G N -0.009 108.628 108.800 -0.272 0.000 2.477 605 G HA2 0.363 4.338 3.960 0.025 0.000 0.304 605 G HA3 0.363 4.338 3.960 0.025 0.000 0.304 605 G C 0.713 175.471 174.900 -0.236 0.000 1.175 605 G CA -0.552 44.366 45.100 -0.304 0.000 0.907 605 G HN 0.093 nan 8.290 nan 0.000 0.509 606 L N -0.186 120.846 121.223 -0.318 0.000 2.395 606 L HA 0.101 4.456 4.340 0.025 0.000 0.218 606 L C 0.909 177.570 176.870 -0.349 0.000 1.130 606 L CA 0.406 55.089 54.840 -0.262 0.000 0.826 606 L CB -0.310 41.586 42.059 -0.271 0.000 0.941 606 L HN 0.386 nan 8.230 nan 0.000 0.451 607 V N -5.066 114.475 119.914 -0.622 0.000 2.914 607 V HA 0.462 4.597 4.120 0.025 0.000 0.314 607 V C -0.190 175.501 176.094 -0.671 0.000 1.084 607 V CA -1.282 60.597 62.300 -0.700 0.000 0.963 607 V CB 1.570 32.915 31.823 -0.796 0.000 1.025 607 V HN -0.147 nan 8.190 nan 0.000 0.432 608 F N 1.656 121.200 119.950 -0.676 0.000 2.485 608 F HA 0.511 5.053 4.527 0.026 0.000 0.327 608 F C 1.928 177.557 175.800 -0.285 0.000 1.203 608 F CA 0.730 58.455 58.000 -0.458 0.000 1.295 608 F CB 0.892 39.651 39.000 -0.402 0.000 1.191 608 F HN 0.787 nan 8.300 nan 0.000 0.588 609 A N 0.844 123.697 122.820 0.055 0.000 2.024 609 A HA -0.220 4.115 4.320 0.025 0.000 0.220 609 A C 1.575 179.116 177.584 -0.072 0.000 1.164 609 A CA 1.836 53.882 52.037 0.014 0.000 0.643 609 A CB -0.960 18.096 19.000 0.093 0.000 0.806 609 A HN 0.792 nan 8.150 nan 0.000 0.451 610 D N -3.018 117.339 120.400 -0.070 0.000 2.319 610 D HA 0.164 4.819 4.640 0.025 0.000 0.230 610 D C 0.686 176.937 176.300 -0.083 0.000 1.094 610 D CA -0.018 53.914 54.000 -0.114 0.000 0.856 610 D CB -0.056 40.677 40.800 -0.112 0.000 0.915 610 D HN 0.222 nan 8.370 nan 0.000 0.517 611 R N -1.969 118.480 120.500 -0.085 0.000 3.728 611 R HA -0.123 4.233 4.340 0.025 0.000 0.478 611 R C -0.256 175.998 176.300 -0.078 0.000 0.932 611 R CA 1.125 57.173 56.100 -0.088 0.000 1.317 611 R CB -3.169 27.126 30.300 -0.009 0.000 1.987 611 R HN 0.254 nan 8.270 nan 0.000 0.509 612 T N 2.660 117.180 114.554 -0.056 0.000 2.916 612 T HA 0.314 4.679 4.350 0.025 0.000 0.303 612 T C -2.289 172.400 174.700 -0.018 0.000 1.025 612 T CA -0.599 61.479 62.100 -0.037 0.000 1.142 612 T CB 0.939 69.748 68.868 -0.098 0.000 0.947 612 T HN -0.083 nan 8.240 nan 0.000 0.544 613 P HA 0.259 nan 4.420 nan 0.000 0.275 613 P C -0.334 176.905 177.300 -0.101 0.000 1.228 613 P CA -0.327 62.703 63.100 -0.116 0.000 0.786 613 P CB 0.463 32.139 31.700 -0.041 0.000 0.927 614 H N 2.475 121.424 119.070 -0.202 0.000 2.508 614 H HA 0.156 4.727 4.556 0.025 0.000 0.358 614 H C -1.227 174.021 175.328 -0.133 0.000 1.212 614 H CA -1.442 54.457 56.048 -0.250 0.000 1.356 614 H CB 0.130 29.680 29.762 -0.353 0.000 1.525 614 H HN 0.360 nan 8.280 nan 0.000 0.578 615 P HA -0.138 nan 4.420 nan 0.000 0.220 615 P C 0.891 178.195 177.300 0.006 0.000 1.148 615 P CA 1.387 64.490 63.100 0.005 0.000 0.803 615 P CB 0.091 31.796 31.700 0.008 0.000 0.782 616 A N -0.474 122.342 122.820 -0.006 0.000 2.070 616 A HA -0.171 4.165 4.320 0.025 0.000 0.220 616 A C 2.042 179.582 177.584 -0.075 0.000 1.159 616 A CA 1.130 53.125 52.037 -0.070 0.000 0.656 616 A CB -1.551 17.370 19.000 -0.132 0.000 0.800 616 A HN 0.166 nan 8.150 nan 0.000 0.453 617 L N -0.564 120.645 121.223 -0.024 0.000 2.042 617 L HA -0.128 4.227 4.340 0.025 0.000 0.210 617 L C 2.524 179.441 176.870 0.079 0.000 1.076 617 L CA 2.726 57.588 54.840 0.036 0.000 0.749 617 L CB -0.994 41.089 42.059 0.040 0.000 0.893 617 L HN 0.375 nan 8.230 nan 0.000 0.432 618 T N -1.572 113.033 114.554 0.084 0.000 2.833 618 T HA -0.218 4.147 4.350 0.025 0.000 0.269 618 T C 1.811 176.618 174.700 0.178 0.000 1.054 618 T CA 1.499 63.699 62.100 0.167 0.000 1.135 618 T CB -0.149 68.797 68.868 0.130 0.000 0.869 618 T HN 0.495 nan 8.240 nan 0.000 0.466 619 E N 0.836 121.080 120.200 0.074 0.000 2.051 619 E HA 0.004 4.369 4.350 0.025 0.000 0.192 619 E C 2.205 178.803 176.600 -0.003 0.000 0.991 619 E CA 1.519 57.959 56.400 0.067 0.000 0.799 619 E CB -0.678 29.025 29.700 0.006 0.000 0.748 619 E HN 0.538 nan 8.360 nan 0.000 0.449 620 A N 0.912 123.616 122.820 -0.193 0.000 1.902 620 A HA -0.224 4.111 4.320 0.025 0.000 0.217 620 A C 2.172 179.635 177.584 -0.201 0.000 1.181 620 A CA 1.914 53.792 52.037 -0.264 0.000 0.623 620 A CB -0.635 18.220 19.000 -0.243 0.000 0.818 620 A HN 0.271 nan 8.150 nan 0.000 0.443 621 K N -1.243 119.123 120.400 -0.056 0.000 2.032 621 K HA -0.283 4.052 4.320 0.025 0.000 0.209 621 K C 2.077 178.571 176.600 -0.177 0.000 1.048 621 K CA 1.983 58.244 56.287 -0.044 0.000 0.927 621 K CB -0.337 32.294 32.500 0.218 0.000 0.712 621 K HN 0.633 nan 8.250 nan 0.000 0.441 622 H N 0.425 119.311 119.070 -0.306 0.000 2.357 622 H HA -0.005 4.567 4.556 0.026 0.000 0.301 622 H C 1.923 176.970 175.328 -0.468 0.000 1.082 622 H CA 1.639 57.304 56.048 -0.638 0.000 1.342 622 H CB 0.091 29.527 29.762 -0.543 0.000 1.389 622 H HN 0.232 nan 8.280 nan 0.000 0.511 623 Q N 0.257 119.802 119.800 -0.426 0.000 2.224 623 Q HA -0.096 4.259 4.340 0.025 0.000 0.203 623 Q C 1.550 177.013 176.000 -0.895 0.000 0.970 623 Q CA 1.195 56.667 55.803 -0.551 0.000 0.865 623 Q CB 0.021 28.609 28.738 -0.251 0.000 0.922 623 Q HN 0.703 nan 8.270 nan 0.000 0.445 624 Q N 0.099 119.323 119.800 -0.960 0.000 2.320 624 Q HA 0.076 4.432 4.340 0.025 0.000 0.201 624 Q C -0.100 175.342 176.000 -0.929 0.000 0.910 624 Q CA -0.222 54.862 55.803 -1.199 0.000 0.946 624 Q CB 0.363 28.427 28.738 -1.123 0.000 1.062 624 Q HN 0.375 nan 8.270 nan 0.000 0.503 625 Q N -0.398 119.014 119.800 -0.647 0.000 2.414 625 Q HA -0.059 4.296 4.340 0.025 0.000 0.288 625 Q C -0.161 175.498 176.000 -0.568 0.000 1.086 625 Q CA 0.434 55.993 55.803 -0.406 0.000 0.943 625 Q CB 0.430 29.020 28.738 -0.247 0.000 1.282 625 Q HN 0.305 nan 8.270 nan 0.000 0.438 626 F N 0.344 120.068 119.950 -0.375 0.000 2.727 626 F HA 0.222 4.764 4.527 0.025 0.000 0.302 626 F C -0.153 175.111 175.800 -0.892 0.000 1.097 626 F CA -0.028 57.530 58.000 -0.736 0.000 1.330 626 F CB 0.493 38.738 39.000 -1.258 0.000 1.084 626 F HN 0.298 nan 8.300 nan 0.000 0.578 627 F N 0.469 120.351 119.950 -0.113 0.000 2.507 627 F HA 0.496 5.039 4.527 0.027 0.000 0.325 627 F C -0.046 175.424 175.800 -0.551 0.000 1.116 627 F CA -1.039 56.785 58.000 -0.293 0.000 0.930 627 F CB 1.315 40.171 39.000 -0.241 0.000 1.146 627 F HN -0.302 nan 8.300 nan 0.000 0.447 628 Q N 3.030 122.563 119.800 -0.444 0.000 2.348 628 Q HA 0.606 4.962 4.340 0.025 0.000 0.271 628 Q C -1.384 174.322 176.000 -0.490 0.000 1.067 628 Q CA -0.718 54.868 55.803 -0.361 0.000 0.839 628 Q CB 3.085 31.741 28.738 -0.136 0.000 1.354 628 Q HN 0.570 nan 8.270 nan 0.000 0.447 629 F N 0.047 120.124 119.950 0.212 0.000 2.599 629 F HA 0.598 5.141 4.527 0.026 0.000 0.311 629 F C 0.254 176.290 175.800 0.393 0.000 1.076 629 F CA -0.858 57.342 58.000 0.333 0.000 0.937 629 F CB 2.075 41.401 39.000 0.543 0.000 1.282 629 F HN 0.162 nan 8.300 nan 0.000 0.460 630 R N 1.416 122.228 120.500 0.520 0.000 2.808 630 R HA 0.783 5.138 4.340 0.025 0.000 0.272 630 R C -2.048 174.319 176.300 0.111 0.000 0.995 630 R CA -1.298 55.029 56.100 0.377 0.000 0.917 630 R CB 2.969 33.391 30.300 0.203 0.000 1.217 630 R HN 0.551 nan 8.270 nan 0.000 0.471 631 L N 0.069 121.240 121.223 -0.087 0.000 2.386 631 L HA 0.576 4.931 4.340 0.025 0.000 0.271 631 L C -1.126 175.615 176.870 -0.215 0.000 0.993 631 L CA -0.036 54.551 54.840 -0.422 0.000 0.819 631 L CB 2.328 43.701 42.059 -1.144 0.000 1.294 631 L HN 0.597 nan 8.230 nan 0.000 0.414 632 S N 3.281 118.867 115.700 -0.190 0.000 2.750 632 S HA 0.727 5.213 4.470 0.025 0.000 0.276 632 S C 0.008 174.527 174.600 -0.134 0.000 1.165 632 S CA 0.310 58.438 58.200 -0.120 0.000 1.047 632 S CB 0.398 63.556 63.200 -0.071 0.000 1.056 632 S HN 1.570 nan 8.310 nan 0.000 0.481 633 G N 4.297 113.018 108.800 -0.131 0.000 2.554 633 G HA2 -0.236 3.739 3.960 0.025 0.000 0.253 633 G HA3 -0.236 3.739 3.960 0.025 0.000 0.253 633 G C -0.285 174.508 174.900 -0.177 0.000 1.172 633 G CA 0.591 45.615 45.100 -0.128 0.000 0.950 633 G HN 1.177 nan 8.290 nan 0.000 0.557 634 Q N 0.095 119.784 119.800 -0.184 0.000 2.155 634 Q HA 0.551 4.906 4.340 0.025 0.000 0.273 634 Q C 0.133 175.994 176.000 -0.230 0.000 0.857 634 Q CA 0.361 56.025 55.803 -0.232 0.000 1.116 634 Q CB -0.147 28.462 28.738 -0.215 0.000 1.209 634 Q HN 0.536 nan 8.270 nan 0.000 0.460 635 T N 1.467 115.898 114.554 -0.205 0.000 2.772 635 T HA 0.610 4.975 4.350 0.025 0.000 0.288 635 T C -0.377 174.210 174.700 -0.190 0.000 0.994 635 T CA -0.358 61.643 62.100 -0.165 0.000 0.951 635 T CB 0.464 69.268 68.868 -0.107 0.000 0.933 635 T HN 0.269 nan 8.240 nan 0.000 0.447 636 I N 3.152 123.621 120.570 -0.167 0.000 2.331 636 I HA 0.313 4.498 4.170 0.025 0.000 0.292 636 I C 0.579 176.709 176.117 0.021 0.000 0.998 636 I CA -0.445 60.786 61.300 -0.115 0.000 1.267 636 I CB 1.106 39.058 38.000 -0.080 0.000 1.386 636 I HN 0.507 nan 8.210 nan 0.000 0.476 637 E N 6.556 126.806 120.200 0.083 0.000 2.133 637 E HA 0.469 4.834 4.350 0.025 0.000 0.274 637 E C -1.603 175.104 176.600 0.179 0.000 0.930 637 E CA -0.615 55.847 56.400 0.104 0.000 0.770 637 E CB 1.626 31.370 29.700 0.074 0.000 1.104 637 E HN 0.350 nan 8.360 nan 0.000 0.403 638 V N 4.021 124.018 119.914 0.139 0.000 2.417 638 V HA 0.349 4.484 4.120 0.025 0.000 0.291 638 V C -0.059 176.062 176.094 0.045 0.000 1.024 638 V CA -0.562 61.788 62.300 0.084 0.000 0.861 638 V CB 1.751 33.659 31.823 0.141 0.000 0.985 638 V HN 0.708 nan 8.190 nan 0.000 0.436 639 T N 3.193 117.734 114.554 -0.023 0.000 2.829 639 T HA 0.384 4.749 4.350 0.025 0.000 0.280 639 T C -0.138 174.567 174.700 0.010 0.000 0.999 639 T CA -0.284 61.816 62.100 -0.001 0.000 0.983 639 T CB 1.639 70.482 68.868 -0.040 0.000 0.968 639 T HN 0.680 nan 8.240 nan 0.000 0.446 640 S N 1.570 117.283 115.700 0.021 0.000 2.508 640 S HA 0.252 4.737 4.470 0.025 0.000 0.284 640 S C 0.683 175.167 174.600 -0.195 0.000 1.192 640 S CA -0.589 57.552 58.200 -0.099 0.000 1.070 640 S CB 0.652 63.866 63.200 0.023 0.000 1.004 640 S HN 0.718 nan 8.310 nan 0.000 0.493 641 E N 2.837 122.827 120.200 -0.351 0.000 2.465 641 E HA 0.104 4.469 4.350 0.025 0.000 0.195 641 E C -0.801 175.618 176.600 -0.301 0.000 1.028 641 E CA -0.094 56.130 56.400 -0.294 0.000 0.899 641 E CB 0.302 29.819 29.700 -0.306 0.000 1.032 641 E HN 0.666 nan 8.360 nan 0.000 0.468 642 Y N 0.221 120.393 120.300 -0.213 0.000 2.326 642 Y HA 0.053 4.618 4.550 0.025 0.000 0.333 642 Y C 1.395 177.122 175.900 -0.288 0.000 1.240 642 Y CA -0.035 57.936 58.100 -0.216 0.000 1.365 642 Y CB 0.854 39.172 38.460 -0.236 0.000 1.289 642 Y HN -0.047 nan 8.280 nan 0.000 0.548 643 L N 0.797 121.839 121.223 -0.303 0.000 2.470 643 L HA 0.092 4.447 4.340 0.025 0.000 0.219 643 L C 0.648 177.081 176.870 -0.727 0.000 1.071 643 L CA 0.581 54.989 54.840 -0.719 0.000 0.850 643 L CB 0.086 41.287 42.059 -1.430 0.000 1.040 643 L HN 0.646 nan 8.230 nan 0.000 0.475 644 F N -0.356 119.610 119.950 0.027 0.000 2.747 644 F HA 0.218 4.759 4.527 0.024 0.000 0.305 644 F C 1.233 177.028 175.800 -0.009 0.000 1.065 644 F CA -0.762 57.232 58.000 -0.011 0.000 1.230 644 F CB 0.411 39.386 39.000 -0.043 0.000 1.027 644 F HN -0.128 nan 8.300 nan 0.000 0.607 645 R N -0.031 120.528 120.500 0.097 0.000 2.720 645 R HA 0.439 4.794 4.340 0.025 0.000 0.272 645 R C -0.641 175.677 176.300 0.030 0.000 0.991 645 R CA -0.659 55.458 56.100 0.028 0.000 1.010 645 R CB 0.880 31.088 30.300 -0.154 0.000 1.141 645 R HN 0.090 nan 8.270 nan 0.000 0.494 646 H N 0.230 119.292 119.070 -0.014 0.000 2.508 646 H HA 0.068 4.640 4.556 0.025 0.000 0.358 646 H C 0.176 175.520 175.328 0.026 0.000 1.212 646 H CA 0.050 56.117 56.048 0.031 0.000 1.356 646 H CB 1.640 31.426 29.762 0.040 0.000 1.525 646 H HN 0.755 nan 8.280 nan 0.000 0.578 647 S N 0.927 116.757 115.700 0.216 0.000 4.175 647 S HA -0.053 4.432 4.470 0.025 0.000 0.193 647 S C 0.263 174.952 174.600 0.148 0.000 1.373 647 S CA -0.633 57.701 58.200 0.224 0.000 0.908 647 S CB -0.825 62.560 63.200 0.308 0.000 1.547 647 S HN 0.570 nan 8.310 nan 0.000 0.440 648 D N 0.663 121.126 120.400 0.104 0.000 2.336 648 D HA 0.065 4.720 4.640 0.025 0.000 0.228 648 D C 0.282 176.613 176.300 0.051 0.000 1.120 648 D CA -0.280 53.763 54.000 0.072 0.000 0.839 648 D CB -0.365 40.466 40.800 0.053 0.000 0.932 648 D HN 0.495 nan 8.370 nan 0.000 0.509 649 N N 0.084 118.821 118.700 0.063 0.000 2.620 649 N HA 0.163 4.918 4.740 0.025 0.000 0.277 649 N C -1.597 173.958 175.510 0.075 0.000 1.726 649 N CA -0.197 52.885 53.050 0.053 0.000 0.840 649 N CB 0.313 38.822 38.487 0.037 0.000 1.379 649 N HN -0.035 nan 8.380 nan 0.000 0.506 650 E N -0.141 120.096 120.200 0.062 0.000 2.363 650 E HA 0.517 4.882 4.350 0.025 0.000 0.281 650 E C -1.612 174.997 176.600 0.015 0.000 0.953 650 E CA -0.740 55.681 56.400 0.034 0.000 0.778 650 E CB 1.856 31.557 29.700 0.003 0.000 1.220 650 E HN 0.241 nan 8.360 nan 0.000 0.431 651 L N -0.068 121.157 121.223 0.002 0.000 2.393 651 L HA 0.745 5.100 4.340 0.025 0.000 0.260 651 L C -1.607 175.284 176.870 0.036 0.000 1.002 651 L CA -1.053 53.812 54.840 0.043 0.000 0.818 651 L CB 0.840 42.962 42.059 0.105 0.000 1.369 651 L HN 0.514 nan 8.230 nan 0.000 0.412 652 L N 2.053 123.355 121.223 0.131 0.000 2.282 652 L HA 0.649 5.004 4.340 0.025 0.000 0.288 652 L C -0.839 176.252 176.870 0.370 0.000 1.033 652 L CA 0.214 55.169 54.840 0.191 0.000 0.807 652 L CB 0.519 42.714 42.059 0.226 0.000 1.209 652 L HN 0.610 nan 8.230 nan 0.000 0.423 653 H N 4.780 123.934 119.070 0.140 0.000 2.463 653 H HA 0.561 5.132 4.556 0.026 0.000 0.332 653 H C -1.000 174.432 175.328 0.174 0.000 1.127 653 H CA -0.708 55.387 56.048 0.078 0.000 1.238 653 H CB 0.998 30.760 29.762 0.001 0.000 1.478 653 H HN 0.645 nan 8.280 nan 0.000 0.499 654 W N 3.109 124.504 121.300 0.159 0.000 3.032 654 W HA 0.584 5.259 4.660 0.025 0.000 0.335 654 W C -1.782 174.785 176.519 0.079 0.000 1.154 654 W CA -1.271 56.142 57.345 0.114 0.000 1.204 654 W CB 1.490 31.003 29.460 0.090 0.000 1.416 654 W HN 0.551 nan 8.180 nan 0.000 0.521 655 M N 3.438 123.228 119.600 0.316 0.000 2.322 655 M HA 0.581 5.076 4.480 0.025 0.000 0.286 655 M C -2.529 173.965 176.300 0.323 0.000 1.111 655 M CA -0.598 54.779 55.300 0.129 0.000 0.941 655 M CB 1.958 34.569 32.600 0.019 0.000 1.671 655 M HN 0.194 nan 8.290 nan 0.000 0.470 656 V N 4.273 124.378 119.914 0.318 0.000 2.417 656 V HA 0.998 5.133 4.120 0.025 0.000 0.291 656 V C -0.286 175.921 176.094 0.188 0.000 1.024 656 V CA -0.133 62.344 62.300 0.295 0.000 0.861 656 V CB 1.006 33.023 31.823 0.324 0.000 0.985 656 V HN 1.065 nan 8.190 nan 0.000 0.436 657 A N 4.831 127.771 122.820 0.200 0.000 2.498 657 A HA 0.913 5.248 4.320 0.025 0.000 0.298 657 A C -1.499 176.205 177.584 0.200 0.000 1.075 657 A CA -0.626 51.495 52.037 0.142 0.000 0.714 657 A CB 1.788 20.834 19.000 0.077 0.000 1.299 657 A HN 0.825 nan 8.150 nan 0.000 0.407 658 L N 1.633 122.942 121.223 0.144 0.000 2.298 658 L HA 0.501 4.856 4.340 0.025 0.000 0.284 658 L C -0.456 176.503 176.870 0.148 0.000 1.013 658 L CA 0.114 55.055 54.840 0.168 0.000 0.824 658 L CB 0.674 42.797 42.059 0.108 0.000 1.221 658 L HN 0.803 nan 8.230 nan 0.000 0.418 659 D N 4.276 124.823 120.400 0.246 0.000 2.686 659 D HA -0.244 4.411 4.640 0.025 0.000 0.235 659 D C 1.032 177.345 176.300 0.022 0.000 1.160 659 D CA 1.094 55.217 54.000 0.205 0.000 0.645 659 D CB -1.353 39.571 40.800 0.206 0.000 1.039 659 D HN 1.263 nan 8.370 nan 0.000 0.423 660 G N -0.505 108.267 108.800 -0.047 0.000 2.205 660 G HA2 -0.365 3.610 3.960 0.025 0.000 0.261 660 G HA3 -0.365 3.610 3.960 0.025 0.000 0.261 660 G C 0.210 175.014 174.900 -0.160 0.000 0.980 660 G CA 0.649 45.612 45.100 -0.229 0.000 0.632 660 G HN 0.512 nan 8.290 nan 0.000 0.533 661 K N 1.712 122.073 120.400 -0.066 0.000 2.234 661 K HA 0.491 4.826 4.320 0.025 0.000 0.277 661 K C -2.678 173.907 176.600 -0.025 0.000 1.038 661 K CA -1.990 54.265 56.287 -0.054 0.000 0.888 661 K CB 1.878 34.366 32.500 -0.020 0.000 1.091 661 K HN 0.019 nan 8.250 nan 0.000 0.467 662 P HA 0.045 nan 4.420 nan 0.000 0.271 662 P C -0.084 177.211 177.300 -0.008 0.000 1.226 662 P CA 0.066 63.148 63.100 -0.030 0.000 0.765 662 P CB 0.659 32.318 31.700 -0.068 0.000 0.835 663 L N 1.669 122.908 121.223 0.028 0.000 2.425 663 L HA 0.472 4.828 4.340 0.025 0.000 0.215 663 L C 0.959 177.855 176.870 0.044 0.000 1.065 663 L CA 0.383 55.248 54.840 0.042 0.000 0.842 663 L CB 0.056 42.159 42.059 0.073 0.000 1.033 663 L HN 0.394 nan 8.230 nan 0.000 0.474 664 A N -0.429 122.418 122.820 0.046 0.000 2.583 664 A HA 0.660 4.995 4.320 0.025 0.000 0.292 664 A C -0.977 176.483 177.584 -0.205 0.000 1.045 664 A CA 0.044 52.088 52.037 0.012 0.000 0.672 664 A CB 1.385 20.518 19.000 0.222 0.000 1.283 664 A HN 0.049 nan 8.150 nan 0.000 0.419 665 S N -0.753 114.559 115.700 -0.646 0.000 2.615 665 S HA 0.952 5.437 4.470 0.025 0.000 0.268 665 S C -0.281 173.382 174.600 -1.562 0.000 1.146 665 S CA 0.035 57.413 58.200 -1.370 0.000 0.818 665 S CB 0.965 63.756 63.200 -0.682 0.000 1.111 665 S HN 2.681 nan 8.310 nan 0.000 0.465 666 G N -0.242 107.395 108.800 -1.938 0.000 2.495 666 G HA2 0.613 4.588 3.960 0.025 0.000 0.294 666 G HA3 0.613 4.588 3.960 0.025 0.000 0.294 666 G C -2.258 172.288 174.900 -0.590 0.000 1.397 666 G CA -0.685 43.847 45.100 -0.946 0.000 0.790 666 G HN 0.798 nan 8.290 nan 0.000 0.486 667 E N -1.370 118.778 120.200 -0.087 0.000 2.317 667 E HA 0.649 5.014 4.350 0.025 0.000 0.270 667 E C -1.345 175.393 176.600 0.231 0.000 0.885 667 E CA -0.710 55.749 56.400 0.098 0.000 0.760 667 E CB 3.144 32.838 29.700 -0.011 0.000 1.227 667 E HN 0.326 nan 8.360 nan 0.000 0.434 668 V N 3.531 123.603 119.914 0.262 0.000 2.686 668 V HA 0.387 4.522 4.120 0.025 0.000 0.306 668 V C -2.434 173.752 176.094 0.153 0.000 1.065 668 V CA -1.958 60.461 62.300 0.198 0.000 0.894 668 V CB 1.914 33.864 31.823 0.212 0.000 1.004 668 V HN 0.597 nan 8.190 nan 0.000 0.424 669 P HA 0.280 nan 4.420 nan 0.000 0.269 669 P C -0.942 176.408 177.300 0.085 0.000 1.209 669 P CA -0.033 63.123 63.100 0.093 0.000 0.776 669 P CB 0.647 32.393 31.700 0.077 0.000 0.876 670 L N 2.594 123.857 121.223 0.067 0.000 2.322 670 L HA 0.411 4.766 4.340 0.025 0.000 0.281 670 L C 0.172 177.093 176.870 0.085 0.000 1.014 670 L CA -0.218 54.656 54.840 0.057 0.000 0.815 670 L CB 1.449 43.499 42.059 -0.015 0.000 1.247 670 L HN 0.295 nan 8.230 nan 0.000 0.421 671 D N 3.257 123.719 120.400 0.105 0.000 2.405 671 D HA 0.321 4.976 4.640 0.025 0.000 0.264 671 D C -1.235 175.161 176.300 0.159 0.000 1.240 671 D CA -0.167 53.921 54.000 0.147 0.000 0.893 671 D CB 1.148 42.025 40.800 0.128 0.000 1.198 671 D HN 0.058 nan 8.370 nan 0.000 0.514 672 V N 1.652 121.659 119.914 0.155 0.000 2.417 672 V HA 0.820 4.955 4.120 0.025 0.000 0.291 672 V C 0.976 176.999 176.094 -0.118 0.000 1.024 672 V CA -1.178 61.175 62.300 0.088 0.000 0.861 672 V CB 1.067 33.002 31.823 0.188 0.000 0.985 672 V HN 0.555 nan 8.190 nan 0.000 0.436 673 A N 7.186 129.819 122.820 -0.313 0.000 2.346 673 A HA 0.657 4.992 4.320 0.025 0.000 0.252 673 A C -2.210 175.182 177.584 -0.319 0.000 1.089 673 A CA -1.376 50.190 52.037 -0.785 0.000 0.797 673 A CB -0.203 18.508 19.000 -0.482 0.000 1.047 673 A HN 0.693 nan 8.150 nan 0.000 0.494 674 P HA 0.037 nan 4.420 nan 0.000 0.264 674 P C -0.541 176.696 177.300 -0.106 0.000 1.193 674 P CA 0.571 63.604 63.100 -0.111 0.000 0.763 674 P CB 0.732 32.379 31.700 -0.089 0.000 0.810 675 Q N -0.868 118.876 119.800 -0.093 0.000 2.305 675 Q HA -0.159 4.196 4.340 0.025 0.000 0.203 675 Q C 0.750 176.714 176.000 -0.059 0.000 0.663 675 Q CA 1.838 57.590 55.803 -0.086 0.000 1.389 675 Q CB -2.530 26.155 28.738 -0.087 0.000 1.566 675 Q HN 0.757 nan 8.270 nan 0.000 0.755 676 G N 0.084 108.851 108.800 -0.054 0.000 2.568 676 G HA2 0.586 4.562 3.960 0.025 0.000 0.293 676 G HA3 0.586 4.562 3.960 0.025 0.000 0.293 676 G C -0.240 174.661 174.900 0.002 0.000 1.347 676 G CA -0.568 44.515 45.100 -0.030 0.000 1.039 676 G HN -0.021 nan 8.290 nan 0.000 0.523 677 K N -0.679 119.731 120.400 0.017 0.000 2.395 677 K HA 0.455 4.790 4.320 0.025 0.000 0.247 677 K C -1.080 175.549 176.600 0.049 0.000 0.973 677 K CA -0.645 55.664 56.287 0.036 0.000 0.828 677 K CB 2.641 35.157 32.500 0.028 0.000 1.272 677 K HN 0.544 nan 8.250 nan 0.000 0.439 678 Q N 2.309 122.147 119.800 0.064 0.000 2.323 678 Q HA 0.419 4.774 4.340 0.025 0.000 0.271 678 Q C -1.634 174.402 176.000 0.060 0.000 1.048 678 Q CA -0.659 55.183 55.803 0.065 0.000 0.792 678 Q CB 1.516 30.302 28.738 0.080 0.000 1.280 678 Q HN 0.526 nan 8.270 nan 0.000 0.441 679 L N 4.972 126.220 121.223 0.042 0.000 2.295 679 L HA 0.569 4.925 4.340 0.025 0.000 0.285 679 L C -0.577 176.303 176.870 0.017 0.000 1.035 679 L CA -0.678 54.178 54.840 0.026 0.000 0.806 679 L CB 1.388 43.453 42.059 0.010 0.000 1.214 679 L HN 0.618 nan 8.230 nan 0.000 0.426 680 I N 2.935 123.506 120.570 0.001 0.000 2.436 680 I HA 0.280 4.465 4.170 0.025 0.000 0.289 680 I C -0.175 175.896 176.117 -0.077 0.000 1.010 680 I CA -0.433 60.857 61.300 -0.017 0.000 1.098 680 I CB 2.254 40.256 38.000 0.003 0.000 1.266 680 I HN 0.570 nan 8.210 nan 0.000 0.434 681 E N 6.782 126.933 120.200 -0.082 0.000 2.156 681 E HA 0.449 4.814 4.350 0.025 0.000 0.279 681 E C -1.037 175.448 176.600 -0.192 0.000 0.965 681 E CA -0.694 55.631 56.400 -0.125 0.000 0.789 681 E CB 1.436 31.085 29.700 -0.085 0.000 1.098 681 E HN 0.466 nan 8.360 nan 0.000 0.397 682 L N 5.014 126.063 121.223 -0.289 0.000 2.453 682 L HA 0.320 4.675 4.340 0.025 0.000 0.261 682 L C -1.970 174.745 176.870 -0.260 0.000 1.179 682 L CA -1.930 52.652 54.840 -0.431 0.000 0.813 682 L CB 0.043 41.719 42.059 -0.638 0.000 1.110 682 L HN 0.362 nan 8.230 nan 0.000 0.466 683 P HA 0.015 nan 4.420 nan 0.000 0.272 683 P C -0.764 176.485 177.300 -0.086 0.000 1.223 683 P CA -0.425 62.624 63.100 -0.086 0.000 0.784 683 P CB 0.384 32.092 31.700 0.013 0.000 0.923 684 E N 2.317 122.491 120.200 -0.043 0.000 2.413 684 E HA 0.071 4.436 4.350 0.025 0.000 0.263 684 E C -1.207 175.387 176.600 -0.010 0.000 1.015 684 E CA -0.038 56.341 56.400 -0.035 0.000 0.916 684 E CB 0.073 29.763 29.700 -0.017 0.000 0.947 684 E HN 0.195 nan 8.360 nan 0.000 0.440 685 L N 5.029 126.246 121.223 -0.011 0.000 2.334 685 L HA 0.470 4.825 4.340 0.025 0.000 0.273 685 L C -1.987 174.896 176.870 0.022 0.000 1.013 685 L CA -2.187 52.667 54.840 0.023 0.000 0.816 685 L CB 1.123 43.210 42.059 0.045 0.000 1.278 685 L HN 0.599 nan 8.230 nan 0.000 0.431 686 P HA 0.016 nan 4.420 nan 0.000 0.269 686 P C -0.980 176.335 177.300 0.024 0.000 1.217 686 P CA -0.465 62.650 63.100 0.026 0.000 0.783 686 P CB 0.568 32.287 31.700 0.032 0.000 0.898 687 Q N 2.149 121.959 119.800 0.018 0.000 2.296 687 Q HA 0.259 4.614 4.340 0.025 0.000 0.262 687 Q C -1.833 174.180 176.000 0.022 0.000 0.981 687 Q CA -1.484 54.329 55.803 0.017 0.000 0.905 687 Q CB -0.435 28.309 28.738 0.011 0.000 1.186 687 Q HN 0.337 nan 8.270 nan 0.000 0.399 688 P HA -0.075 nan 4.420 nan 0.000 0.266 688 P C -0.422 176.894 177.300 0.026 0.000 1.193 688 P CA 0.240 63.359 63.100 0.032 0.000 0.770 688 P CB 0.799 32.521 31.700 0.037 0.000 0.836 689 E N -0.066 120.150 120.200 0.027 0.000 2.152 689 E HA -0.043 4.322 4.350 0.025 0.000 0.192 689 E C 0.723 177.337 176.600 0.024 0.000 0.983 689 E CA 0.823 57.237 56.400 0.023 0.000 0.818 689 E CB 0.170 29.882 29.700 0.020 0.000 0.758 689 E HN 0.656 nan 8.360 nan 0.000 0.467 690 S N -1.195 114.522 115.700 0.029 0.000 2.685 690 S HA 0.714 5.199 4.470 0.025 0.000 0.282 690 S C -0.370 174.252 174.600 0.036 0.000 1.159 690 S CA -0.768 57.450 58.200 0.031 0.000 0.833 690 S CB 1.586 64.806 63.200 0.033 0.000 1.151 690 S HN 0.069 nan 8.310 nan 0.000 0.485 691 A N 0.023 122.865 122.820 0.037 0.000 2.386 691 A HA 0.797 5.132 4.320 0.025 0.000 0.246 691 A C 1.017 178.633 177.584 0.053 0.000 1.089 691 A CA 0.402 52.463 52.037 0.040 0.000 0.790 691 A CB -0.847 18.177 19.000 0.040 0.000 1.042 691 A HN 2.568 nan 8.150 nan 0.000 0.497 692 G N -1.026 107.805 108.800 0.052 0.000 2.343 692 G HA2 0.401 4.377 3.960 0.025 0.000 0.465 692 G HA3 0.401 4.377 3.960 0.025 0.000 0.465 692 G C -0.983 173.950 174.900 0.055 0.000 1.282 692 G CA -0.073 45.070 45.100 0.072 0.000 0.996 692 G HN 1.188 nan 8.290 nan 0.000 0.521 693 Q N -0.199 119.649 119.800 0.079 0.000 2.290 693 Q HA 0.723 5.078 4.340 0.025 0.000 0.259 693 Q C -0.105 175.936 176.000 0.069 0.000 0.941 693 Q CA -0.515 55.287 55.803 -0.002 0.000 0.912 693 Q CB 1.137 29.856 28.738 -0.031 0.000 1.244 693 Q HN 0.581 nan 8.270 nan 0.000 0.441 694 L N 4.087 125.294 121.223 -0.026 0.000 2.350 694 L HA 0.473 4.829 4.340 0.025 0.000 0.275 694 L C -0.723 176.138 176.870 -0.015 0.000 1.099 694 L CA -0.445 54.434 54.840 0.065 0.000 0.808 694 L CB 0.748 42.832 42.059 0.042 0.000 1.149 694 L HN 0.667 nan 8.230 nan 0.000 0.442 695 W N 3.805 125.170 121.300 0.108 0.000 2.785 695 W HA 0.511 5.186 4.660 0.025 0.000 0.333 695 W C -0.881 175.746 176.519 0.180 0.000 1.062 695 W CA -0.525 56.907 57.345 0.145 0.000 1.233 695 W CB 1.735 31.302 29.460 0.179 0.000 1.413 695 W HN 0.112 nan 8.180 nan 0.000 0.489 696 L N 3.374 124.879 121.223 0.469 0.000 2.296 696 L HA 0.750 5.105 4.340 0.025 0.000 0.286 696 L C -0.382 176.800 176.870 0.519 0.000 1.023 696 L CA 0.084 55.188 54.840 0.440 0.000 0.812 696 L CB 1.211 43.485 42.059 0.358 0.000 1.223 696 L HN 0.329 nan 8.230 nan 0.000 0.421 697 T N 5.124 119.927 114.554 0.414 0.000 2.824 697 T HA 0.688 5.053 4.350 0.025 0.000 0.282 697 T C -0.648 174.247 174.700 0.324 0.000 0.993 697 T CA -0.457 61.843 62.100 0.334 0.000 0.967 697 T CB 1.560 70.559 68.868 0.219 0.000 0.960 697 T HN 0.610 nan 8.240 nan 0.000 0.441 698 V N 1.364 121.440 119.914 0.270 0.000 2.864 698 V HA 0.853 4.988 4.120 0.025 0.000 0.314 698 V C -0.907 175.269 176.094 0.136 0.000 1.073 698 V CA -1.210 61.219 62.300 0.215 0.000 0.956 698 V CB 2.043 33.954 31.823 0.147 0.000 1.023 698 V HN 0.847 nan 8.190 nan 0.000 0.435 699 R N 1.974 122.570 120.500 0.161 0.000 2.673 699 R HA 0.742 5.097 4.340 0.025 0.000 0.281 699 R C -1.673 174.701 176.300 0.122 0.000 0.991 699 R CA -0.816 55.387 56.100 0.171 0.000 0.896 699 R CB 2.680 33.044 30.300 0.106 0.000 1.201 699 R HN 0.664 nan 8.270 nan 0.000 0.457 700 V N 3.269 123.292 119.914 0.182 0.000 2.432 700 V HA 0.315 4.450 4.120 0.025 0.000 0.275 700 V C -0.156 175.951 176.094 0.021 0.000 1.043 700 V CA -0.499 61.853 62.300 0.087 0.000 0.925 700 V CB 1.553 33.435 31.823 0.098 0.000 0.985 700 V HN 0.428 nan 8.190 nan 0.000 0.466 701 V N 5.289 125.143 119.914 -0.101 0.000 2.555 701 V HA 0.399 4.534 4.120 0.025 0.000 0.302 701 V C -0.244 175.835 176.094 -0.025 0.000 1.038 701 V CA -0.756 61.469 62.300 -0.125 0.000 0.887 701 V CB 1.993 33.577 31.823 -0.399 0.000 0.991 701 V HN 0.886 nan 8.190 nan 0.000 0.434 702 Q N 5.688 125.517 119.800 0.047 0.000 2.360 702 Q HA 0.279 4.634 4.340 0.025 0.000 0.254 702 Q C -1.783 174.235 176.000 0.030 0.000 0.975 702 Q CA -1.766 54.078 55.803 0.069 0.000 0.912 702 Q CB 1.935 30.747 28.738 0.122 0.000 1.212 702 Q HN 0.472 nan 8.270 nan 0.000 0.452 703 P HA -0.130 nan 4.420 nan 0.000 0.220 703 P C -0.507 176.796 177.300 0.004 0.000 1.152 703 P CA 1.003 64.116 63.100 0.022 0.000 0.812 703 P CB 0.409 32.129 31.700 0.034 0.000 0.792 704 N N -0.475 118.218 118.700 -0.010 0.000 2.443 704 N HA 0.444 5.199 4.740 0.025 0.000 0.295 704 N C -0.267 175.195 175.510 -0.080 0.000 1.076 704 N CA -0.668 52.362 53.050 -0.034 0.000 0.919 704 N CB 1.032 39.501 38.487 -0.030 0.000 1.176 704 N HN -0.063 nan 8.380 nan 0.000 0.487 705 A N 0.863 123.629 122.820 -0.090 0.000 2.406 705 A HA 0.414 4.749 4.320 0.025 0.000 0.243 705 A C 0.588 178.051 177.584 -0.202 0.000 1.082 705 A CA 0.026 51.973 52.037 -0.150 0.000 0.786 705 A CB -0.012 18.924 19.000 -0.107 0.000 1.029 705 A HN 0.701 nan 8.150 nan 0.000 0.495 706 T N -2.977 111.369 114.554 -0.345 0.000 2.773 706 T HA 0.630 4.995 4.350 0.025 0.000 0.278 706 T C 0.933 175.458 174.700 -0.292 0.000 1.011 706 T CA 0.025 61.898 62.100 -0.379 0.000 1.014 706 T CB 1.163 69.547 68.868 -0.806 0.000 1.293 706 T HN 1.377 nan 8.240 nan 0.000 0.554 707 A N -0.092 122.644 122.820 -0.140 0.000 2.121 707 A HA 0.113 4.448 4.320 0.025 0.000 0.218 707 A C 1.573 179.262 177.584 0.174 0.000 1.154 707 A CA 0.991 53.056 52.037 0.047 0.000 0.679 707 A CB -0.870 18.206 19.000 0.127 0.000 0.795 707 A HN 0.909 nan 8.150 nan 0.000 0.458 708 W N -0.797 120.569 121.300 0.110 0.000 2.714 708 W HA 0.421 5.098 4.660 0.027 0.000 0.353 708 W C -0.196 176.298 176.519 -0.043 0.000 0.999 708 W CA 0.433 57.820 57.345 0.070 0.000 1.629 708 W CB -1.075 28.422 29.460 0.061 0.000 1.106 708 W HN 0.382 nan 8.180 nan 0.000 0.545 709 S N 0.010 115.283 115.700 -0.711 0.000 2.607 709 S HA 0.457 4.942 4.470 0.025 0.000 0.273 709 S C -0.732 173.650 174.600 -0.363 0.000 1.148 709 S CA -0.754 57.068 58.200 -0.629 0.000 0.833 709 S CB 2.793 65.243 63.200 -1.249 0.000 1.130 709 S HN 0.073 nan 8.310 nan 0.000 0.470 710 E N 0.514 120.603 120.200 -0.185 0.000 2.318 710 E HA 0.552 4.917 4.350 0.025 0.000 0.265 710 E C 0.248 176.815 176.600 -0.054 0.000 1.069 710 E CA -0.690 55.660 56.400 -0.083 0.000 0.893 710 E CB 1.501 31.196 29.700 -0.008 0.000 1.076 710 E HN 0.866 nan 8.360 nan 0.000 0.414 711 A N 0.314 123.111 122.820 -0.038 0.000 2.498 711 A HA 0.394 4.729 4.320 0.025 0.000 0.239 711 A C 1.144 178.741 177.584 0.021 0.000 1.068 711 A CA 0.835 52.863 52.037 -0.016 0.000 0.766 711 A CB -0.283 18.711 19.000 -0.010 0.000 1.003 711 A HN 0.784 nan 8.150 nan 0.000 0.497 712 G N 0.278 109.098 108.800 0.033 0.000 2.175 712 G HA2 -0.247 3.729 3.960 0.025 0.000 0.244 712 G HA3 -0.247 3.729 3.960 0.025 0.000 0.244 712 G C 0.272 175.208 174.900 0.060 0.000 0.982 712 G CA 0.697 45.820 45.100 0.038 0.000 0.641 712 G HN 1.723 nan 8.290 nan 0.000 0.527 713 H N 0.645 119.711 119.070 -0.008 0.000 3.001 713 H HA 0.444 5.015 4.556 0.025 0.000 0.334 713 H C 0.672 176.048 175.328 0.079 0.000 1.034 713 H CA 0.458 56.528 56.048 0.036 0.000 1.420 713 H CB 0.185 29.951 29.762 0.005 0.000 1.405 713 H HN 0.298 nan 8.280 nan 0.000 0.593 714 I N 4.462 124.762 120.570 -0.451 0.000 2.315 714 I HA 0.050 4.235 4.170 0.025 0.000 0.291 714 I C 0.825 176.793 176.117 -0.249 0.000 1.006 714 I CA 0.029 61.194 61.300 -0.225 0.000 1.265 714 I CB 1.503 39.444 38.000 -0.099 0.000 1.387 714 I HN 0.782 nan 8.210 nan 0.000 0.475 715 S N 4.220 119.973 115.700 0.089 0.000 2.512 715 S HA 0.572 5.058 4.470 0.025 0.000 0.216 715 S C 0.415 175.270 174.600 0.425 0.000 1.006 715 S CA -0.045 58.349 58.200 0.324 0.000 0.915 715 S CB 0.587 64.095 63.200 0.514 0.000 0.824 715 S HN 0.691 nan 8.310 nan 0.000 0.497 716 A N 0.497 123.601 122.820 0.473 0.000 2.605 716 A HA 0.673 5.008 4.320 0.025 0.000 0.294 716 A C -1.803 176.121 177.584 0.566 0.000 1.062 716 A CA -0.876 51.421 52.037 0.434 0.000 0.682 716 A CB 0.421 19.756 19.000 0.559 0.000 1.278 716 A HN 0.933 nan 8.150 nan 0.000 0.410 717 W N -0.274 121.213 121.300 0.312 0.000 3.005 717 W HA 0.808 5.484 4.660 0.027 0.000 0.343 717 W C -1.223 175.315 176.519 0.031 0.000 1.243 717 W CA -0.595 56.798 57.345 0.080 0.000 1.186 717 W CB 1.145 30.617 29.460 0.019 0.000 1.453 717 W HN 1.010 nan 8.180 nan 0.000 0.575 718 Q N 0.992 120.791 119.800 -0.002 0.000 2.594 718 Q HA 0.428 4.783 4.340 0.025 0.000 0.278 718 Q C -1.589 174.232 176.000 -0.299 0.000 0.961 718 Q CA -0.452 55.196 55.803 -0.258 0.000 0.844 718 Q CB 2.363 30.726 28.738 -0.626 0.000 1.475 718 Q HN 0.621 nan 8.270 nan 0.000 0.389 719 Q N 1.277 120.850 119.800 -0.377 0.000 2.451 719 Q HA 0.654 5.009 4.340 0.025 0.000 0.281 719 Q C -1.140 174.710 176.000 -0.250 0.000 1.099 719 Q CA -0.723 55.055 55.803 -0.041 0.000 0.806 719 Q CB 2.423 31.325 28.738 0.273 0.000 1.419 719 Q HN 0.604 nan 8.270 nan 0.000 0.427 720 W N 0.729 122.182 121.300 0.256 0.000 3.107 720 W HA 0.443 5.118 4.660 0.025 0.000 0.331 720 W C -0.415 176.050 176.519 -0.090 0.000 1.204 720 W CA -0.657 56.748 57.345 0.100 0.000 1.184 720 W CB 1.713 31.195 29.460 0.037 0.000 1.421 720 W HN 0.428 nan 8.180 nan 0.000 0.544 721 R N 1.566 121.956 120.500 -0.183 0.000 2.441 721 R HA 0.454 4.810 4.340 0.025 0.000 0.284 721 R C 0.509 176.677 176.300 -0.221 0.000 1.070 721 R CA -0.163 55.564 56.100 -0.622 0.000 1.047 721 R CB 1.148 31.045 30.300 -0.672 0.000 1.016 721 R HN 0.303 nan 8.270 nan 0.000 0.477 722 L N 1.178 122.276 121.223 -0.209 0.000 2.719 722 L HA 0.499 4.854 4.340 0.025 0.000 0.182 722 L C 0.583 177.378 176.870 -0.126 0.000 1.940 722 L CA -0.920 53.855 54.840 -0.109 0.000 2.839 722 L CB -0.102 41.931 42.059 -0.044 0.000 2.949 722 L HN 0.604 nan 8.230 nan 0.000 0.669 723 A N 0.335 123.106 122.820 -0.082 0.000 2.445 723 A HA 0.205 4.540 4.320 0.025 0.000 0.242 723 A C -0.322 177.215 177.584 -0.079 0.000 1.075 723 A CA 0.191 52.186 52.037 -0.070 0.000 0.777 723 A CB 0.171 19.147 19.000 -0.040 0.000 1.013 723 A HN 0.590 nan 8.150 nan 0.000 0.493 724 E N 1.086 121.245 120.200 -0.069 0.000 2.234 724 E HA 0.308 4.673 4.350 0.025 0.000 0.266 724 E C -1.405 175.181 176.600 -0.024 0.000 0.877 724 E CA -0.651 55.716 56.400 -0.056 0.000 0.758 724 E CB 0.848 30.507 29.700 -0.068 0.000 1.170 724 E HN 0.686 nan 8.360 nan 0.000 0.415 725 N N 5.263 123.960 118.700 -0.005 0.000 2.564 725 N HA 0.255 5.010 4.740 0.025 0.000 0.248 725 N C -0.625 174.894 175.510 0.014 0.000 0.986 725 N CA -0.330 52.723 53.050 0.005 0.000 0.921 725 N CB 1.113 39.607 38.487 0.011 0.000 1.136 725 N HN 0.471 nan 8.380 nan 0.000 0.509 726 L N 0.749 121.979 121.223 0.013 0.000 2.456 726 L HA 0.092 4.448 4.340 0.025 0.000 0.272 726 L C 1.343 178.229 176.870 0.027 0.000 1.189 726 L CA 0.140 54.993 54.840 0.022 0.000 0.846 726 L CB 0.426 42.498 42.059 0.021 0.000 1.111 726 L HN 0.334 nan 8.230 nan 0.000 0.475 727 S N 1.700 117.421 115.700 0.035 0.000 2.481 727 S HA 0.247 4.732 4.470 0.025 0.000 0.276 727 S C 0.538 175.157 174.600 0.032 0.000 1.247 727 S CA -0.781 57.441 58.200 0.036 0.000 1.053 727 S CB 0.639 63.866 63.200 0.044 0.000 0.925 727 S HN 0.473 nan 8.310 nan 0.000 0.491 728 V N 2.343 122.273 119.914 0.027 0.000 3.253 728 V HA 0.361 4.497 4.120 0.025 0.000 0.320 728 V C 0.530 176.637 176.094 0.022 0.000 1.442 728 V CA 0.037 62.351 62.300 0.023 0.000 1.097 728 V CB -0.531 31.303 31.823 0.019 0.000 1.008 728 V HN 0.843 nan 8.190 nan 0.000 0.463 729 T N 1.444 116.013 114.554 0.024 0.000 2.743 729 T HA 0.675 5.040 4.350 0.025 0.000 0.293 729 T C -0.027 174.687 174.700 0.023 0.000 0.945 729 T CA -0.551 61.562 62.100 0.022 0.000 1.030 729 T CB 1.059 69.939 68.868 0.021 0.000 0.912 729 T HN 0.472 nan 8.240 nan 0.000 0.483 730 L N 2.931 124.165 121.223 0.019 0.000 2.499 730 L HA 0.388 4.744 4.340 0.025 0.000 0.273 730 L C -2.003 174.875 176.870 0.014 0.000 1.195 730 L CA -1.793 53.057 54.840 0.016 0.000 0.882 730 L CB -1.069 40.998 42.059 0.013 0.000 1.133 730 L HN 0.391 nan 8.230 nan 0.000 0.483 731 P HA 0.207 nan 4.420 nan 0.000 0.276 731 P C -0.309 176.987 177.300 -0.007 0.000 1.230 731 P CA -0.310 62.794 63.100 0.006 0.000 0.776 731 P CB 1.044 32.750 31.700 0.010 0.000 0.888 732 A N 3.267 126.078 122.820 -0.014 0.000 2.513 732 A HA 0.356 4.691 4.320 0.025 0.000 0.274 732 A C 0.860 178.406 177.584 -0.064 0.000 1.115 732 A CA -0.020 51.998 52.037 -0.031 0.000 0.792 732 A CB -0.912 18.067 19.000 -0.035 0.000 1.053 732 A HN 0.660 nan 8.150 nan 0.000 0.515 733 A N 4.728 127.519 122.820 -0.048 0.000 2.524 733 A HA 0.406 4.741 4.320 0.025 0.000 0.271 733 A C 1.100 178.617 177.584 -0.112 0.000 1.097 733 A CA 0.417 52.421 52.037 -0.055 0.000 0.791 733 A CB -0.940 18.046 19.000 -0.024 0.000 1.028 733 A HN 1.545 nan 8.150 nan 0.000 0.518 734 S N 2.534 118.158 115.700 -0.126 0.000 2.657 734 S HA -0.140 4.345 4.470 0.025 0.000 0.318 734 S C 0.762 175.273 174.600 -0.149 0.000 1.244 734 S CA 1.211 59.310 58.200 -0.168 0.000 1.024 734 S CB -0.133 63.031 63.200 -0.060 0.000 0.714 734 S HN 0.846 nan 8.310 nan 0.000 0.478 735 H N 1.044 120.129 119.070 0.026 0.000 2.384 735 H HA 0.400 4.971 4.556 0.025 0.000 0.300 735 H C 1.211 176.553 175.328 0.024 0.000 1.057 735 H CA 0.842 56.903 56.048 0.022 0.000 1.370 735 H CB -0.267 29.507 29.762 0.019 0.000 1.417 735 H HN 0.748 nan 8.280 nan 0.000 0.527 736 A N 1.331 124.227 122.820 0.126 0.000 2.257 736 A HA 0.523 4.858 4.320 0.025 0.000 0.289 736 A C -0.139 177.481 177.584 0.061 0.000 1.095 736 A CA -0.428 51.664 52.037 0.091 0.000 0.836 736 A CB 0.055 19.113 19.000 0.098 0.000 1.111 736 A HN 0.396 nan 8.150 nan 0.000 0.497 737 I N -0.932 119.676 120.570 0.063 0.000 2.498 737 I HA 0.681 4.866 4.170 0.025 0.000 0.290 737 I C -2.854 173.306 176.117 0.071 0.000 1.032 737 I CA -2.240 59.090 61.300 0.050 0.000 1.073 737 I CB 2.120 40.143 38.000 0.039 0.000 1.251 737 I HN 0.306 nan 8.210 nan 0.000 0.426 738 P HA 0.206 nan 4.420 nan 0.000 0.274 738 P C -1.364 176.006 177.300 0.117 0.000 1.237 738 P CA 0.053 63.207 63.100 0.090 0.000 0.793 738 P CB 0.362 32.076 31.700 0.024 0.000 0.977 739 H N 1.570 120.671 119.070 0.052 0.000 2.469 739 H HA 0.441 5.012 4.556 0.025 0.000 0.342 739 H C -1.273 174.084 175.328 0.049 0.000 1.115 739 H CA -0.898 55.172 56.048 0.037 0.000 1.204 739 H CB 1.408 31.193 29.762 0.037 0.000 1.492 739 H HN 0.217 nan 8.280 nan 0.000 0.499 740 L N 4.167 124.995 121.223 -0.660 0.000 2.295 740 L HA 0.331 4.686 4.340 0.025 0.000 0.285 740 L C -0.718 175.852 176.870 -0.500 0.000 1.035 740 L CA -0.055 54.534 54.840 -0.418 0.000 0.806 740 L CB 1.608 43.489 42.059 -0.296 0.000 1.214 740 L HN 0.574 nan 8.230 nan 0.000 0.426 741 T N 3.219 117.700 114.554 -0.121 0.000 2.786 741 T HA 0.483 4.849 4.350 0.025 0.000 0.283 741 T C -0.422 174.346 174.700 0.114 0.000 0.992 741 T CA -0.389 61.724 62.100 0.022 0.000 0.954 741 T CB 1.101 70.033 68.868 0.107 0.000 0.934 741 T HN 0.659 nan 8.240 nan 0.000 0.440 742 T N 3.204 117.833 114.554 0.126 0.000 2.771 742 T HA 0.667 5.032 4.350 0.025 0.000 0.281 742 T C 0.032 174.794 174.700 0.104 0.000 0.982 742 T CA -0.706 61.522 62.100 0.213 0.000 0.978 742 T CB 0.983 69.997 68.868 0.242 0.000 0.930 742 T HN 0.706 nan 8.240 nan 0.000 0.447 743 S N 2.065 117.791 115.700 0.043 0.000 2.627 743 S HA 0.482 4.967 4.470 0.025 0.000 0.283 743 S C 0.753 175.312 174.600 -0.068 0.000 1.127 743 S CA -0.897 57.303 58.200 -0.001 0.000 0.863 743 S CB 1.696 64.901 63.200 0.007 0.000 1.121 743 S HN 0.435 nan 8.310 nan 0.000 0.479 744 E N 0.591 120.758 120.200 -0.055 0.000 2.085 744 E HA -0.111 4.254 4.350 0.025 0.000 0.194 744 E C 1.606 178.126 176.600 -0.133 0.000 0.994 744 E CA 1.526 57.874 56.400 -0.086 0.000 0.801 744 E CB -0.279 29.391 29.700 -0.050 0.000 0.743 744 E HN 0.621 nan 8.360 nan 0.000 0.453 745 M N 0.335 119.878 119.600 -0.096 0.000 2.334 745 M HA 0.064 4.559 4.480 0.025 0.000 0.266 745 M C 0.032 176.257 176.300 -0.125 0.000 1.082 745 M CA 0.874 56.120 55.300 -0.090 0.000 1.141 745 M CB -0.537 32.044 32.600 -0.032 0.000 1.380 745 M HN -0.157 nan 8.290 nan 0.000 0.440 746 D N -1.691 118.633 120.400 -0.127 0.000 2.570 746 D HA 0.501 5.157 4.640 0.025 0.000 0.244 746 D C -1.378 174.879 176.300 -0.071 0.000 1.178 746 D CA -0.334 53.612 54.000 -0.089 0.000 0.881 746 D CB 1.719 42.555 40.800 0.059 0.000 1.453 746 D HN -0.085 nan 8.370 nan 0.000 0.447 747 F N 0.790 120.814 119.950 0.123 0.000 2.403 747 F HA 0.439 4.981 4.527 0.025 0.000 0.355 747 F C -0.394 175.523 175.800 0.194 0.000 1.119 747 F CA -0.845 57.217 58.000 0.103 0.000 1.007 747 F CB 1.047 40.071 39.000 0.040 0.000 1.194 747 F HN 0.098 nan 8.300 nan 0.000 0.443 748 C N 4.412 123.899 119.300 0.311 0.000 2.376 748 C HA 0.735 5.210 4.460 0.025 0.000 0.335 748 C C -0.277 174.854 174.990 0.234 0.000 1.229 748 C CA -0.675 58.508 59.018 0.274 0.000 1.867 748 C CB 0.908 28.750 27.740 0.170 0.000 2.319 748 C HN 0.498 nan 8.230 nan 0.000 0.515 749 I N 2.527 123.288 120.570 0.318 0.000 2.498 749 I HA 0.442 4.627 4.170 0.025 0.000 0.290 749 I C -0.232 176.140 176.117 0.425 0.000 1.032 749 I CA -0.283 61.196 61.300 0.299 0.000 1.073 749 I CB 1.453 39.591 38.000 0.229 0.000 1.251 749 I HN 0.655 nan 8.210 nan 0.000 0.426 750 E N 5.853 126.243 120.200 0.316 0.000 2.266 750 E HA 0.777 5.142 4.350 0.025 0.000 0.268 750 E C -1.425 175.351 176.600 0.293 0.000 0.879 750 E CA -0.944 55.630 56.400 0.290 0.000 0.762 750 E CB 3.052 32.844 29.700 0.152 0.000 1.199 750 E HN 0.358 nan 8.360 nan 0.000 0.422 751 L N 2.173 123.571 121.223 0.291 0.000 2.676 751 L HA 0.431 4.786 4.340 0.025 0.000 0.262 751 L C 0.315 177.276 176.870 0.151 0.000 0.965 751 L CA 0.389 55.377 54.840 0.246 0.000 0.920 751 L CB 1.148 43.410 42.059 0.338 0.000 1.260 751 L HN 0.786 nan 8.230 nan 0.000 0.422 752 G N 4.245 113.102 108.800 0.094 0.000 2.665 752 G HA2 -0.460 3.515 3.960 0.025 0.000 0.326 752 G HA3 -0.460 3.515 3.960 0.025 0.000 0.326 752 G C 0.718 175.626 174.900 0.013 0.000 1.231 752 G CA 0.730 45.859 45.100 0.048 0.000 0.992 752 G HN 1.141 nan 8.290 nan 0.000 0.549 753 N N 1.614 120.310 118.700 -0.005 0.000 2.461 753 N HA 0.079 4.834 4.740 0.025 0.000 0.188 753 N C 0.597 176.057 175.510 -0.084 0.000 1.134 753 N CA 1.173 54.199 53.050 -0.040 0.000 0.878 753 N CB 0.185 38.649 38.487 -0.038 0.000 0.972 753 N HN 0.715 nan 8.380 nan 0.000 0.456 754 K N -0.052 120.291 120.400 -0.096 0.000 2.281 754 K HA 0.487 4.822 4.320 0.025 0.000 0.242 754 K C -0.787 175.654 176.600 -0.266 0.000 0.971 754 K CA -0.763 55.354 56.287 -0.282 0.000 0.834 754 K CB 2.524 34.745 32.500 -0.465 0.000 1.181 754 K HN -0.042 nan 8.250 nan 0.000 0.435 755 R N 1.624 121.888 120.500 -0.393 0.000 2.584 755 R HA 0.339 4.694 4.340 0.025 0.000 0.276 755 R C -1.708 174.542 176.300 -0.082 0.000 1.046 755 R CA -0.591 55.458 56.100 -0.085 0.000 0.906 755 R CB 1.253 31.518 30.300 -0.058 0.000 1.215 755 R HN 0.609 nan 8.270 nan 0.000 0.449 756 W N 3.843 125.232 121.300 0.148 0.000 2.600 756 W HA 0.308 4.983 4.660 0.025 0.000 0.325 756 W C -0.597 175.978 176.519 0.092 0.000 1.034 756 W CA -0.690 56.683 57.345 0.046 0.000 1.226 756 W CB 2.100 31.562 29.460 0.003 0.000 1.379 756 W HN 0.455 nan 8.180 nan 0.000 0.466 757 Q N 3.078 123.002 119.800 0.207 0.000 2.333 757 Q HA 0.389 4.744 4.340 0.025 0.000 0.265 757 Q C -1.760 174.178 176.000 -0.102 0.000 0.989 757 Q CA -0.480 55.437 55.803 0.190 0.000 0.842 757 Q CB 1.079 30.024 28.738 0.346 0.000 1.262 757 Q HN 0.359 nan 8.270 nan 0.000 0.451 758 F N 3.240 123.278 119.950 0.147 0.000 2.361 758 F HA 0.268 4.810 4.527 0.025 0.000 0.364 758 F C 0.627 176.467 175.800 0.065 0.000 1.117 758 F CA -0.879 57.173 58.000 0.087 0.000 1.071 758 F CB 1.062 40.111 39.000 0.083 0.000 1.188 758 F HN 0.510 nan 8.300 nan 0.000 0.464 759 N N 3.649 122.459 118.700 0.183 0.000 2.452 759 N HA 0.025 4.780 4.740 0.025 0.000 0.266 759 N C 1.026 176.561 175.510 0.042 0.000 1.209 759 N CA 0.287 53.399 53.050 0.103 0.000 0.929 759 N CB 0.665 39.218 38.487 0.109 0.000 1.063 759 N HN 0.673 nan 8.380 nan 0.000 0.472 760 R N 2.514 122.970 120.500 -0.073 0.000 2.236 760 R HA -0.052 4.303 4.340 0.025 0.000 0.208 760 R C 0.988 177.227 176.300 -0.102 0.000 1.036 760 R CA 0.937 56.934 56.100 -0.171 0.000 1.001 760 R CB 0.284 30.362 30.300 -0.371 0.000 0.896 760 R HN 0.578 nan 8.270 nan 0.000 0.464 761 Q N -0.608 119.163 119.800 -0.049 0.000 2.297 761 Q HA 0.000 4.355 4.340 0.025 0.000 0.203 761 Q C 2.034 178.035 176.000 0.001 0.000 0.931 761 Q CA 1.415 57.200 55.803 -0.029 0.000 0.885 761 Q CB 0.409 29.141 28.738 -0.009 0.000 0.991 761 Q HN 0.253 nan 8.270 nan 0.000 0.498 762 S N -1.604 114.127 115.700 0.050 0.000 2.439 762 S HA 0.200 4.685 4.470 0.025 0.000 0.224 762 S C 1.622 176.196 174.600 -0.044 0.000 1.029 762 S CA 0.522 58.789 58.200 0.111 0.000 0.946 762 S CB 0.129 63.506 63.200 0.294 0.000 0.797 762 S HN 0.429 nan 8.310 nan 0.000 0.504 763 G N 0.390 109.155 108.800 -0.057 0.000 2.143 763 G HA2 -0.214 3.761 3.960 0.025 0.000 0.249 763 G HA3 -0.214 3.761 3.960 0.025 0.000 0.249 763 G C -0.098 174.714 174.900 -0.146 0.000 0.981 763 G CA 0.275 45.305 45.100 -0.117 0.000 0.665 763 G HN 0.534 nan 8.290 nan 0.000 0.528 764 F N -1.259 118.876 119.950 0.309 0.000 2.556 764 F HA 0.676 5.218 4.527 0.025 0.000 0.327 764 F C 0.490 176.360 175.800 0.117 0.000 1.059 764 F CA -1.437 56.710 58.000 0.246 0.000 0.953 764 F CB 1.461 40.554 39.000 0.156 0.000 1.227 764 F HN 0.011 nan 8.300 nan 0.000 0.478 765 L N 1.952 123.279 121.223 0.173 0.000 2.433 765 L HA 0.189 4.544 4.340 0.025 0.000 0.284 765 L C 0.932 177.726 176.870 -0.126 0.000 1.120 765 L CA 0.400 55.017 54.840 -0.370 0.000 0.879 765 L CB 0.202 41.994 42.059 -0.445 0.000 1.232 765 L HN 0.688 nan 8.230 nan 0.000 0.454 766 S N 2.446 118.074 115.700 -0.122 0.000 2.503 766 S HA 0.232 4.717 4.470 0.025 0.000 0.217 766 S C 0.602 175.088 174.600 -0.190 0.000 0.999 766 S CA -0.068 58.087 58.200 -0.074 0.000 0.914 766 S CB 0.048 63.253 63.200 0.008 0.000 0.782 766 S HN 0.673 nan 8.310 nan 0.000 0.520 767 Q N -0.022 119.605 119.800 -0.288 0.000 2.472 767 Q HA 0.672 5.027 4.340 0.025 0.000 0.281 767 Q C -2.037 173.623 176.000 -0.568 0.000 0.997 767 Q CA -0.304 55.186 55.803 -0.522 0.000 0.828 767 Q CB 1.752 30.022 28.738 -0.781 0.000 1.443 767 Q HN 0.438 nan 8.270 nan 0.000 0.390 768 M N 1.740 120.909 119.600 -0.719 0.000 2.433 768 M HA 0.617 5.113 4.480 0.025 0.000 0.290 768 M C -1.365 174.615 176.300 -0.533 0.000 1.173 768 M CA -0.454 54.515 55.300 -0.553 0.000 0.905 768 M CB 2.287 34.515 32.600 -0.621 0.000 1.692 768 M HN 0.434 nan 8.290 nan 0.000 0.462 769 W N 3.115 124.190 121.300 -0.376 0.000 2.844 769 W HA 0.666 5.341 4.660 0.025 0.000 0.340 769 W C -1.298 175.036 176.519 -0.309 0.000 1.093 769 W CA -0.723 56.462 57.345 -0.265 0.000 1.212 769 W CB 1.787 31.131 29.460 -0.193 0.000 1.422 769 W HN 0.496 nan 8.180 nan 0.000 0.515 770 I N 2.748 123.315 120.570 -0.006 0.000 2.411 770 I HA 0.431 4.617 4.170 0.025 0.000 0.284 770 I C 0.812 176.918 176.117 -0.018 0.000 1.012 770 I CA 0.136 61.393 61.300 -0.071 0.000 1.119 770 I CB 1.123 39.057 38.000 -0.109 0.000 1.261 770 I HN 0.730 nan 8.210 nan 0.000 0.448 771 G N 6.057 114.840 108.800 -0.028 0.000 2.547 771 G HA2 -0.342 3.633 3.960 0.025 0.000 0.271 771 G HA3 -0.342 3.633 3.960 0.025 0.000 0.271 771 G C 0.282 175.190 174.900 0.014 0.000 1.209 771 G CA 0.619 45.708 45.100 -0.019 0.000 0.959 771 G HN 0.848 nan 8.290 nan 0.000 0.563 772 D N 0.418 120.833 120.400 0.025 0.000 2.339 772 D HA 0.186 4.841 4.640 0.025 0.000 0.217 772 D C 0.870 177.276 176.300 0.177 0.000 1.050 772 D CA 0.489 54.529 54.000 0.066 0.000 0.856 772 D CB 0.200 41.012 40.800 0.021 0.000 0.922 772 D HN 0.497 nan 8.370 nan 0.000 0.518 773 K N 1.293 121.766 120.400 0.123 0.000 2.276 773 K HA 0.169 4.504 4.320 0.025 0.000 0.285 773 K C -0.060 176.541 176.600 0.002 0.000 1.062 773 K CA -0.454 55.875 56.287 0.069 0.000 0.918 773 K CB 0.973 33.473 32.500 -0.001 0.000 1.055 773 K HN 0.029 nan 8.250 nan 0.000 0.477 774 K N 2.405 122.723 120.400 -0.137 0.000 2.382 774 K HA -0.021 4.314 4.320 0.025 0.000 0.275 774 K C 0.944 177.365 176.600 -0.299 0.000 1.009 774 K CA 0.025 56.021 56.287 -0.485 0.000 0.970 774 K CB 0.726 32.945 32.500 -0.467 0.000 0.934 774 K HN 0.420 nan 8.250 nan 0.000 0.479 775 Q N 1.386 120.982 119.800 -0.340 0.000 2.350 775 Q HA 0.185 4.540 4.340 0.025 0.000 0.225 775 Q C 0.005 175.923 176.000 -0.137 0.000 0.878 775 Q CA 0.426 56.145 55.803 -0.140 0.000 0.935 775 Q CB 0.556 29.245 28.738 -0.082 0.000 1.099 775 Q HN 0.496 nan 8.270 nan 0.000 0.527 776 L N 0.807 121.880 121.223 -0.250 0.000 2.346 776 L HA 0.392 4.748 4.340 0.025 0.000 0.276 776 L C 0.966 177.702 176.870 -0.224 0.000 1.006 776 L CA -0.364 54.347 54.840 -0.214 0.000 0.817 776 L CB 1.619 43.546 42.059 -0.220 0.000 1.272 776 L HN -0.081 nan 8.230 nan 0.000 0.421 777 L N 0.808 121.895 121.223 -0.227 0.000 2.357 777 L HA 0.155 4.510 4.340 0.025 0.000 0.211 777 L C 0.769 177.523 176.870 -0.194 0.000 1.075 777 L CA 0.516 55.230 54.840 -0.210 0.000 0.830 777 L CB 0.304 42.226 42.059 -0.229 0.000 0.996 777 L HN 0.763 nan 8.230 nan 0.000 0.467 778 T N -2.968 111.446 114.554 -0.233 0.000 2.912 778 T HA 0.530 4.895 4.350 0.025 0.000 0.299 778 T C -2.867 171.759 174.700 -0.123 0.000 1.052 778 T CA -2.080 59.933 62.100 -0.145 0.000 0.996 778 T CB 2.369 71.181 68.868 -0.092 0.000 1.070 778 T HN -0.313 nan 8.240 nan 0.000 0.465 779 P HA 0.231 nan 4.420 nan 0.000 0.271 779 P C -0.575 176.690 177.300 -0.058 0.000 1.233 779 P CA -0.713 62.353 63.100 -0.056 0.000 0.789 779 P CB 0.307 32.000 31.700 -0.012 0.000 0.951 780 L N 2.780 124.008 121.223 0.009 0.000 2.283 780 L HA 0.301 4.656 4.340 0.025 0.000 0.287 780 L C 0.109 176.954 176.870 -0.043 0.000 1.073 780 L CA 0.484 55.368 54.840 0.075 0.000 0.822 780 L CB -0.581 41.637 42.059 0.265 0.000 1.186 780 L HN 0.278 nan 8.230 nan 0.000 0.436 781 R N 2.666 123.050 120.500 -0.193 0.000 2.837 781 R HA 0.449 4.804 4.340 0.025 0.000 0.271 781 R C -0.988 175.190 176.300 -0.203 0.000 0.993 781 R CA -1.009 54.818 56.100 -0.455 0.000 0.931 781 R CB 1.290 31.155 30.300 -0.725 0.000 1.206 781 R HN 0.549 nan 8.270 nan 0.000 0.474 782 D N 1.334 121.678 120.400 -0.094 0.000 2.449 782 D HA 0.007 4.662 4.640 0.025 0.000 0.236 782 D C -0.437 175.460 176.300 -0.672 0.000 1.149 782 D CA 0.637 54.428 54.000 -0.349 0.000 0.878 782 D CB 0.604 41.144 40.800 -0.434 0.000 1.198 782 D HN 0.206 nan 8.370 nan 0.000 0.446 783 Q N 1.285 120.483 119.800 -1.002 0.000 2.285 783 Q HA 0.350 4.705 4.340 0.025 0.000 0.269 783 Q C -1.219 174.056 176.000 -1.207 0.000 1.030 783 Q CA -0.581 54.698 55.803 -0.872 0.000 0.788 783 Q CB 0.794 29.246 28.738 -0.477 0.000 1.266 783 Q HN 0.565 nan 8.270 nan 0.000 0.438 784 F N 0.700 120.256 119.950 -0.656 0.000 2.746 784 F HA 0.195 4.737 4.527 0.025 0.000 0.320 784 F C 0.595 175.945 175.800 -0.751 0.000 1.097 784 F CA -0.233 57.258 58.000 -0.850 0.000 1.195 784 F CB 1.554 39.682 39.000 -1.452 0.000 1.056 784 F HN 0.438 nan 8.300 nan 0.000 0.562 785 T N -0.738 113.501 114.554 -0.525 0.000 2.926 785 T HA 0.763 5.128 4.350 0.025 0.000 0.289 785 T C -0.513 173.932 174.700 -0.424 0.000 1.054 785 T CA -0.953 60.774 62.100 -0.621 0.000 1.015 785 T CB 2.655 71.093 68.868 -0.717 0.000 1.167 785 T HN 0.245 nan 8.240 nan 0.000 0.526 786 R N -0.112 120.174 120.500 -0.356 0.000 2.771 786 R HA 0.768 5.123 4.340 0.025 0.000 0.274 786 R C -0.818 175.526 176.300 0.073 0.000 0.987 786 R CA -1.227 54.798 56.100 -0.125 0.000 0.908 786 R CB 1.526 31.768 30.300 -0.096 0.000 1.213 786 R HN 0.816 nan 8.270 nan 0.000 0.468 787 A N 3.295 126.146 122.820 0.052 0.000 2.491 787 A HA 0.295 4.630 4.320 0.025 0.000 0.261 787 A C -2.028 175.618 177.584 0.103 0.000 1.101 787 A CA -1.324 50.747 52.037 0.057 0.000 0.772 787 A CB -0.429 18.550 19.000 -0.034 0.000 1.043 787 A HN 0.545 nan 8.150 nan 0.000 0.501 788 P HA 0.116 nan 4.420 nan 0.000 0.264 788 P C -0.171 177.236 177.300 0.177 0.000 1.193 788 P CA 0.372 63.623 63.100 0.252 0.000 0.763 788 P CB 0.366 32.242 31.700 0.293 0.000 0.810 789 L N 2.589 123.883 121.223 0.118 0.000 2.475 789 L HA 0.134 4.489 4.340 0.025 0.000 0.253 789 L C 1.837 178.719 176.870 0.020 0.000 1.198 789 L CA -0.396 54.450 54.840 0.009 0.000 0.814 789 L CB -0.014 41.984 42.059 -0.102 0.000 1.134 789 L HN 0.304 nan 8.230 nan 0.000 0.478 790 D N 0.361 120.714 120.400 -0.078 0.000 2.133 790 D HA -0.166 4.489 4.640 0.025 0.000 0.195 790 D C 1.615 177.833 176.300 -0.138 0.000 0.997 790 D CA 1.433 55.309 54.000 -0.207 0.000 0.840 790 D CB 0.028 40.625 40.800 -0.337 0.000 0.947 790 D HN 0.468 nan 8.370 nan 0.000 0.452 791 N N 0.931 119.567 118.700 -0.106 0.000 2.309 791 N HA -0.099 4.657 4.740 0.025 0.000 0.182 791 N C 1.118 176.634 175.510 0.010 0.000 1.018 791 N CA 0.660 53.676 53.050 -0.056 0.000 0.876 791 N CB -0.094 38.351 38.487 -0.070 0.000 0.972 791 N HN 0.263 nan 8.380 nan 0.000 0.434 792 D N 0.324 120.747 120.400 0.038 0.000 2.234 792 D HA 0.072 4.728 4.640 0.025 0.000 0.205 792 D C 1.948 178.288 176.300 0.068 0.000 0.962 792 D CA 0.333 54.389 54.000 0.093 0.000 0.855 792 D CB 0.262 41.194 40.800 0.221 0.000 0.951 792 D HN 0.305 nan 8.370 nan 0.000 0.500 793 I N 0.228 120.823 120.570 0.040 0.000 2.585 793 I HA 0.062 4.247 4.170 0.025 0.000 0.254 793 I C 1.782 177.911 176.117 0.020 0.000 1.129 793 I CA 0.582 61.892 61.300 0.018 0.000 1.455 793 I CB -0.221 37.757 38.000 -0.036 0.000 1.111 793 I HN 0.040 nan 8.210 nan 0.000 0.433 794 G N 1.379 110.201 108.800 0.038 0.000 2.574 794 G HA2 -0.354 3.621 3.960 0.025 0.000 0.286 794 G HA3 -0.354 3.621 3.960 0.025 0.000 0.286 794 G C 0.734 175.792 174.900 0.263 0.000 1.212 794 G CA 0.835 46.026 45.100 0.152 0.000 0.979 794 G HN 0.511 nan 8.290 nan 0.000 0.557 795 V N -1.768 118.258 119.914 0.186 0.000 3.649 795 V HA 0.566 4.701 4.120 0.025 0.000 0.275 795 V C 1.371 177.490 176.094 0.040 0.000 1.281 795 V CA 1.341 63.703 62.300 0.103 0.000 1.143 795 V CB -0.049 31.721 31.823 -0.088 0.000 0.892 795 V HN 1.210 nan 8.190 nan 0.000 0.441 796 S N 1.252 116.971 115.700 0.032 0.000 2.560 796 S HA 0.278 4.763 4.470 0.025 0.000 0.284 796 S C -0.037 174.568 174.600 0.008 0.000 1.327 796 S CA 0.101 58.303 58.200 0.004 0.000 1.055 796 S CB 0.139 63.336 63.200 -0.005 0.000 0.868 796 S HN 0.808 nan 8.310 nan 0.000 0.506 797 E N 1.024 121.224 120.200 0.001 0.000 2.390 797 E HA 0.424 4.789 4.350 0.025 0.000 0.277 797 E C 0.545 177.149 176.600 0.008 0.000 0.939 797 E CA -0.566 55.839 56.400 0.008 0.000 0.769 797 E CB 1.487 31.190 29.700 0.005 0.000 1.251 797 E HN 0.579 nan 8.360 nan 0.000 0.450 798 A N 0.934 123.764 122.820 0.017 0.000 1.958 798 A HA -0.230 4.105 4.320 0.025 0.000 0.221 798 A C 1.892 179.483 177.584 0.012 0.000 1.178 798 A CA 2.727 54.775 52.037 0.018 0.000 0.642 798 A CB -0.931 18.084 19.000 0.026 0.000 0.816 798 A HN 0.658 nan 8.150 nan 0.000 0.453 799 T N -4.346 110.214 114.554 0.009 0.000 3.100 799 T HA 0.242 4.607 4.350 0.025 0.000 0.253 799 T C 0.836 175.531 174.700 -0.008 0.000 1.118 799 T CA 0.311 62.413 62.100 0.003 0.000 1.058 799 T CB 0.152 69.023 68.868 0.006 0.000 0.953 799 T HN 0.229 nan 8.240 nan 0.000 0.515 800 R N 1.220 121.713 120.500 -0.013 0.000 3.107 800 R HA 0.298 4.653 4.340 0.025 0.000 0.251 800 R C -1.360 174.925 176.300 -0.024 0.000 1.818 800 R CA -0.489 55.597 56.100 -0.025 0.000 1.228 800 R CB 0.546 30.823 30.300 -0.037 0.000 1.459 800 R HN 0.211 nan 8.270 nan 0.000 0.520 801 I N 1.650 122.208 120.570 -0.021 0.000 2.634 801 I HA 0.037 4.222 4.170 0.025 0.000 0.284 801 I C 0.702 176.799 176.117 -0.034 0.000 1.124 801 I CA 0.127 61.415 61.300 -0.021 0.000 1.417 801 I CB 0.782 38.772 38.000 -0.016 0.000 1.396 801 I HN 0.340 nan 8.210 nan 0.000 0.571 802 D N 8.616 128.993 120.400 -0.039 0.000 2.472 802 D HA 0.288 4.943 4.640 0.025 0.000 0.234 802 D C -1.721 174.535 176.300 -0.072 0.000 1.088 802 D CA -2.179 51.788 54.000 -0.054 0.000 0.882 802 D CB 1.499 42.270 40.800 -0.049 0.000 1.037 802 D HN 0.180 nan 8.370 nan 0.000 0.520 803 P HA -0.107 nan 4.420 nan 0.000 0.228 803 P C 0.859 178.071 177.300 -0.147 0.000 1.151 803 P CA 0.565 63.609 63.100 -0.094 0.000 0.770 803 P CB 0.429 32.082 31.700 -0.078 0.000 0.786 804 N N 0.213 118.821 118.700 -0.154 0.000 2.416 804 N HA 0.024 4.779 4.740 0.025 0.000 0.177 804 N C 0.479 175.810 175.510 -0.298 0.000 1.036 804 N CA 0.115 53.032 53.050 -0.221 0.000 0.901 804 N CB -0.517 37.869 38.487 -0.168 0.000 0.976 804 N HN -0.043 nan 8.380 nan 0.000 0.444 805 A N -0.421 122.270 122.820 -0.215 0.000 2.498 805 A HA 0.059 4.394 4.320 0.025 0.000 0.239 805 A C 0.716 178.111 177.584 -0.315 0.000 1.068 805 A CA -0.316 51.597 52.037 -0.206 0.000 0.766 805 A CB -0.235 18.710 19.000 -0.091 0.000 1.003 805 A HN 0.530 nan 8.150 nan 0.000 0.497 806 W N 1.738 122.791 121.300 -0.412 0.000 2.321 806 W HA -0.193 4.482 4.660 0.025 0.000 0.306 806 W C 2.202 178.174 176.519 -0.911 0.000 1.217 806 W CA 1.762 58.609 57.345 -0.830 0.000 1.257 806 W CB -0.331 28.504 29.460 -1.042 0.000 1.145 806 W HN 0.561 nan 8.180 nan 0.000 0.509 807 V N 0.773 120.570 119.914 -0.194 0.000 2.490 807 V HA -0.249 3.886 4.120 0.025 0.000 0.250 807 V C 2.083 178.258 176.094 0.134 0.000 1.061 807 V CA 2.052 64.446 62.300 0.158 0.000 1.064 807 V CB -0.299 31.655 31.823 0.218 0.000 0.670 807 V HN 0.086 nan 8.190 nan 0.000 0.461 808 E N -0.189 119.998 120.200 -0.022 0.000 2.158 808 E HA -0.112 4.253 4.350 0.025 0.000 0.191 808 E C 2.341 178.915 176.600 -0.042 0.000 0.982 808 E CA 0.738 57.132 56.400 -0.010 0.000 0.823 808 E CB -0.235 29.432 29.700 -0.055 0.000 0.766 808 E HN 0.614 nan 8.360 nan 0.000 0.468 809 R N -0.125 120.271 120.500 -0.174 0.000 2.075 809 R HA -0.105 4.250 4.340 0.025 0.000 0.232 809 R C 2.249 178.494 176.300 -0.092 0.000 1.126 809 R CA 1.177 57.153 56.100 -0.208 0.000 0.963 809 R CB -0.168 29.884 30.300 -0.414 0.000 0.858 809 R HN 0.235 nan 8.270 nan 0.000 0.435 810 W N 1.597 122.858 121.300 -0.065 0.000 2.358 810 W HA -0.094 4.582 4.660 0.026 0.000 0.303 810 W C 1.967 178.446 176.519 -0.067 0.000 1.208 810 W CA 0.775 57.973 57.345 -0.246 0.000 1.274 810 W CB -0.635 28.831 29.460 0.010 0.000 1.138 810 W HN 0.106 nan 8.180 nan 0.000 0.515 811 K N 0.077 120.703 120.400 0.378 0.000 2.026 811 K HA -0.109 4.226 4.320 0.025 0.000 0.208 811 K C 2.281 178.954 176.600 0.121 0.000 1.048 811 K CA 1.862 58.332 56.287 0.305 0.000 0.929 811 K CB -0.644 31.982 32.500 0.209 0.000 0.713 811 K HN -0.019 nan 8.250 nan 0.000 0.439 812 A N 1.194 124.052 122.820 0.065 0.000 1.972 812 A HA -0.094 4.241 4.320 0.025 0.000 0.219 812 A C 2.213 179.807 177.584 0.017 0.000 1.169 812 A CA 1.793 53.850 52.037 0.035 0.000 0.635 812 A CB -0.558 18.447 19.000 0.008 0.000 0.810 812 A HN 0.348 nan 8.150 nan 0.000 0.446 813 A N -1.970 120.837 122.820 -0.022 0.000 2.206 813 A HA 0.397 4.732 4.320 0.025 0.000 0.211 813 A C 1.835 179.374 177.584 -0.075 0.000 1.158 813 A CA 1.255 53.286 52.037 -0.009 0.000 0.761 813 A CB -0.834 18.124 19.000 -0.070 0.000 0.801 813 A HN 1.872 nan 8.150 nan 0.000 0.473 814 G N -1.601 107.051 108.800 -0.246 0.000 2.141 814 G HA2 -0.306 3.669 3.960 0.025 0.000 0.242 814 G HA3 -0.306 3.669 3.960 0.025 0.000 0.242 814 G C 0.620 175.496 174.900 -0.040 0.000 0.982 814 G CA 0.662 45.376 45.100 -0.644 0.000 0.662 814 G HN 0.741 nan 8.290 nan 0.000 0.527 815 H N -1.365 117.680 119.070 -0.042 0.000 2.390 815 H HA -0.130 4.441 4.556 0.025 0.000 0.298 815 H C 2.209 177.493 175.328 -0.072 0.000 1.106 815 H CA 1.708 57.742 56.048 -0.023 0.000 1.297 815 H CB 0.047 29.740 29.762 -0.114 0.000 1.375 815 H HN 0.612 nan 8.280 nan 0.000 0.509 816 Y N 0.424 120.840 120.300 0.193 0.000 2.457 816 Y HA -0.067 4.498 4.550 0.025 0.000 0.292 816 Y C 2.217 178.192 175.900 0.125 0.000 1.125 816 Y CA 0.578 58.753 58.100 0.124 0.000 1.254 816 Y CB 0.348 38.867 38.460 0.099 0.000 1.012 816 Y HN 0.188 nan 8.280 nan 0.000 0.555 817 Q N -0.282 119.671 119.800 0.256 0.000 2.319 817 Q HA 0.268 4.623 4.340 0.025 0.000 0.209 817 Q C 0.687 176.857 176.000 0.284 0.000 0.884 817 Q CA -0.142 55.806 55.803 0.241 0.000 0.938 817 Q CB 0.497 29.368 28.738 0.223 0.000 1.098 817 Q HN 0.278 nan 8.270 nan 0.000 0.517 818 A N 2.347 125.352 122.820 0.309 0.000 2.565 818 A HA -0.006 4.329 4.320 0.025 0.000 0.237 818 A C -0.195 177.680 177.584 0.486 0.000 1.053 818 A CA 0.250 52.538 52.037 0.419 0.000 0.755 818 A CB 0.044 19.331 19.000 0.479 0.000 0.980 818 A HN 0.235 nan 8.150 nan 0.000 0.506 819 E N 1.716 122.135 120.200 0.365 0.000 2.166 819 E HA 0.566 4.932 4.350 0.025 0.000 0.275 819 E C -0.316 176.272 176.600 -0.020 0.000 0.941 819 E CA -0.723 55.810 56.400 0.221 0.000 0.784 819 E CB 1.541 31.334 29.700 0.155 0.000 1.115 819 E HN 0.691 nan 8.360 nan 0.000 0.399 820 A N 2.655 125.363 122.820 -0.187 0.000 2.451 820 A HA 0.477 4.812 4.320 0.025 0.000 0.266 820 A C -0.024 177.430 177.584 -0.215 0.000 1.119 820 A CA -0.220 51.443 52.037 -0.623 0.000 0.786 820 A CB 0.184 18.949 19.000 -0.392 0.000 1.061 820 A HN 0.690 nan 8.150 nan 0.000 0.503 821 A N 2.913 125.586 122.820 -0.244 0.000 2.288 821 A HA 0.579 4.914 4.320 0.025 0.000 0.320 821 A C -0.372 177.129 177.584 -0.138 0.000 1.217 821 A CA -0.559 51.410 52.037 -0.112 0.000 0.840 821 A CB 0.470 19.422 19.000 -0.079 0.000 1.179 821 A HN 1.264 nan 8.150 nan 0.000 0.504 822 L N 3.365 124.496 121.223 -0.153 0.000 2.360 822 L HA 0.355 4.710 4.340 0.025 0.000 0.276 822 L C 0.343 177.073 176.870 -0.233 0.000 1.121 822 L CA 0.307 54.947 54.840 -0.332 0.000 0.845 822 L CB 0.323 42.198 42.059 -0.307 0.000 1.143 822 L HN 0.748 nan 8.230 nan 0.000 0.452 823 L N 3.724 124.792 121.223 -0.259 0.000 2.609 823 L HA 0.360 4.715 4.340 0.025 0.000 0.230 823 L C 0.306 177.104 176.870 -0.121 0.000 1.087 823 L CA -0.034 54.724 54.840 -0.137 0.000 0.874 823 L CB -0.008 42.003 42.059 -0.079 0.000 1.114 823 L HN 0.758 nan 8.230 nan 0.000 0.488 824 Q N -0.160 119.539 119.800 -0.169 0.000 2.541 824 Q HA 0.242 4.597 4.340 0.025 0.000 0.259 824 Q C -2.135 173.806 176.000 -0.099 0.000 0.974 824 Q CA -0.492 55.253 55.803 -0.097 0.000 0.955 824 Q CB 2.419 31.126 28.738 -0.053 0.000 1.517 824 Q HN 0.050 nan 8.270 nan 0.000 0.412 825 C N 3.717 123.000 119.300 -0.028 0.000 2.571 825 C HA 0.839 5.314 4.460 0.025 0.000 0.343 825 C C -0.682 174.420 174.990 0.188 0.000 1.082 825 C CA 0.529 59.578 59.018 0.051 0.000 1.339 825 C CB 0.440 28.194 27.740 0.024 0.000 1.893 825 C HN 0.796 nan 8.230 nan 0.000 0.445 826 T N 2.391 117.001 114.554 0.094 0.000 2.901 826 T HA 0.907 5.272 4.350 0.025 0.000 0.293 826 T C -0.572 173.903 174.700 -0.376 0.000 1.084 826 T CA -0.388 61.707 62.100 -0.009 0.000 1.008 826 T CB 1.947 70.791 68.868 -0.040 0.000 1.170 826 T HN 1.538 nan 8.240 nan 0.000 0.509 827 A N 1.402 123.827 122.820 -0.658 0.000 2.393 827 A HA 0.763 5.099 4.320 0.025 0.000 0.306 827 A C -1.267 176.057 177.584 -0.433 0.000 1.050 827 A CA -0.732 50.830 52.037 -0.792 0.000 0.724 827 A CB 1.297 19.425 19.000 -1.452 0.000 1.248 827 A HN 0.870 nan 8.150 nan 0.000 0.424 828 D N 0.709 120.916 120.400 -0.321 0.000 2.645 828 D HA 0.521 5.176 4.640 0.025 0.000 0.228 828 D C -0.991 175.202 176.300 -0.178 0.000 1.148 828 D CA -0.033 53.845 54.000 -0.204 0.000 0.860 828 D CB 2.437 43.151 40.800 -0.144 0.000 1.548 828 D HN 0.390 nan 8.370 nan 0.000 0.460 829 T N 1.472 115.947 114.554 -0.132 0.000 2.794 829 T HA 0.529 4.895 4.350 0.025 0.000 0.280 829 T C 0.402 175.056 174.700 -0.076 0.000 0.987 829 T CA -0.435 61.601 62.100 -0.108 0.000 0.993 829 T CB 0.906 69.721 68.868 -0.089 0.000 0.939 829 T HN 0.102 nan 8.240 nan 0.000 0.449 830 L N 1.369 122.551 121.223 -0.068 0.000 2.421 830 L HA 0.630 4.986 4.340 0.025 0.000 0.267 830 L C 1.958 178.808 176.870 -0.033 0.000 1.036 830 L CA -1.220 53.592 54.840 -0.048 0.000 0.829 830 L CB 0.327 42.358 42.059 -0.046 0.000 1.437 830 L HN 0.693 nan 8.230 nan 0.000 0.488 831 A N 0.251 123.057 122.820 -0.023 0.000 1.978 831 A HA -0.157 4.178 4.320 0.025 0.000 0.220 831 A C 0.947 178.526 177.584 -0.009 0.000 1.170 831 A CA 2.044 54.074 52.037 -0.012 0.000 0.636 831 A CB -0.528 18.467 19.000 -0.008 0.000 0.810 831 A HN 0.890 nan 8.150 nan 0.000 0.448 832 D N -3.046 117.344 120.400 -0.015 0.000 2.594 832 D HA 0.543 5.199 4.640 0.025 0.000 0.256 832 D C -0.022 176.264 176.300 -0.024 0.000 1.393 832 D CA 0.661 54.654 54.000 -0.012 0.000 0.797 832 D CB -0.430 40.363 40.800 -0.011 0.000 1.110 832 D HN 0.480 nan 8.370 nan 0.000 0.495 833 A N -0.549 122.248 122.820 -0.039 0.000 2.564 833 A HA 0.660 4.995 4.320 0.025 0.000 0.291 833 A C -1.776 175.755 177.584 -0.088 0.000 1.102 833 A CA -0.692 51.306 52.037 -0.065 0.000 0.660 833 A CB 1.534 20.495 19.000 -0.065 0.000 1.283 833 A HN 0.009 nan 8.150 nan 0.000 0.430 834 V N 0.532 120.371 119.914 -0.125 0.000 2.555 834 V HA 0.636 4.771 4.120 0.025 0.000 0.302 834 V C -1.058 174.930 176.094 -0.177 0.000 1.038 834 V CA -0.445 61.759 62.300 -0.160 0.000 0.887 834 V CB 1.478 33.194 31.823 -0.180 0.000 0.991 834 V HN 0.877 nan 8.190 nan 0.000 0.434 835 L N 6.426 127.535 121.223 -0.191 0.000 2.316 835 L HA 0.624 4.979 4.340 0.025 0.000 0.280 835 L C -0.851 175.866 176.870 -0.256 0.000 1.006 835 L CA 0.049 54.784 54.840 -0.176 0.000 0.836 835 L CB 1.080 43.066 42.059 -0.120 0.000 1.221 835 L HN 0.406 nan 8.230 nan 0.000 0.418 836 I N 4.247 124.648 120.570 -0.282 0.000 2.336 836 I HA 0.396 4.581 4.170 0.025 0.000 0.292 836 I C 0.068 176.124 176.117 -0.102 0.000 0.991 836 I CA -0.165 60.904 61.300 -0.385 0.000 1.227 836 I CB 1.414 38.891 38.000 -0.873 0.000 1.366 836 I HN 0.554 nan 8.210 nan 0.000 0.466 837 T N 5.252 119.756 114.554 -0.083 0.000 2.807 837 T HA 0.628 4.993 4.350 0.025 0.000 0.279 837 T C 0.199 174.927 174.700 0.046 0.000 0.993 837 T CA -0.488 61.620 62.100 0.013 0.000 0.970 837 T CB 1.690 70.542 68.868 -0.026 0.000 0.950 837 T HN 0.772 nan 8.240 nan 0.000 0.441 838 T N -0.396 114.228 114.554 0.117 0.000 2.901 838 T HA 0.893 5.258 4.350 0.025 0.000 0.293 838 T C -1.148 173.598 174.700 0.077 0.000 1.084 838 T CA -1.096 61.056 62.100 0.087 0.000 1.008 838 T CB 2.048 71.042 68.868 0.210 0.000 1.170 838 T HN 0.780 nan 8.240 nan 0.000 0.509 839 A N 1.333 124.119 122.820 -0.056 0.000 2.488 839 A HA 0.735 5.070 4.320 0.025 0.000 0.295 839 A C -1.551 175.910 177.584 -0.205 0.000 1.045 839 A CA -0.793 51.247 52.037 0.006 0.000 0.703 839 A CB 0.864 19.874 19.000 0.017 0.000 1.271 839 A HN 1.002 nan 8.150 nan 0.000 0.400 840 H N 0.052 119.148 119.070 0.044 0.000 2.821 840 H HA 0.811 5.382 4.556 0.025 0.000 0.373 840 H C -0.050 175.248 175.328 -0.051 0.000 1.165 840 H CA 0.266 56.250 56.048 -0.108 0.000 1.154 840 H CB 2.153 31.730 29.762 -0.308 0.000 1.765 840 H HN 1.036 nan 8.280 nan 0.000 0.549 841 A N 1.686 124.472 122.820 -0.057 0.000 2.355 841 A HA 0.479 4.814 4.320 0.025 0.000 0.317 841 A C -1.408 176.111 177.584 -0.109 0.000 1.094 841 A CA -0.708 51.368 52.037 0.065 0.000 0.764 841 A CB 1.229 20.264 19.000 0.058 0.000 1.230 841 A HN 0.568 nan 8.150 nan 0.000 0.448 842 W N 1.803 123.216 121.300 0.188 0.000 2.429 842 W HA 0.461 5.136 4.660 0.026 0.000 0.314 842 W C -0.453 176.093 176.519 0.045 0.000 1.062 842 W CA -0.125 57.328 57.345 0.180 0.000 1.211 842 W CB 1.817 31.442 29.460 0.276 0.000 1.305 842 W HN 0.784 nan 8.180 nan 0.000 0.476 843 Q N 1.531 121.472 119.800 0.236 0.000 2.433 843 Q HA 0.431 4.787 4.340 0.025 0.000 0.279 843 Q C -0.979 175.161 176.000 0.232 0.000 1.105 843 Q CA -0.867 55.032 55.803 0.160 0.000 0.815 843 Q CB 3.643 32.434 28.738 0.087 0.000 1.403 843 Q HN 0.406 nan 8.270 nan 0.000 0.435 844 H N 1.346 120.455 119.070 0.066 0.000 3.018 844 H HA 0.106 4.678 4.556 0.025 0.000 0.334 844 H C -0.937 174.426 175.328 0.058 0.000 0.983 844 H CA -0.225 55.871 56.048 0.080 0.000 1.363 844 H CB 1.110 30.926 29.762 0.091 0.000 1.668 844 H HN 0.822 nan 8.280 nan 0.000 0.513 845 Q N 3.227 122.796 119.800 -0.385 0.000 2.435 845 Q HA -0.268 4.087 4.340 0.025 0.000 0.312 845 Q C 1.009 176.953 176.000 -0.093 0.000 1.333 845 Q CA 1.153 56.791 55.803 -0.274 0.000 0.883 845 Q CB -1.256 27.273 28.738 -0.349 0.000 1.170 845 Q HN 1.195 nan 8.270 nan 0.000 0.443 846 G N -0.681 108.095 108.800 -0.040 0.000 2.268 846 G HA2 -0.376 3.599 3.960 0.025 0.000 0.240 846 G HA3 -0.376 3.599 3.960 0.025 0.000 0.240 846 G C 0.070 174.977 174.900 0.012 0.000 1.010 846 G CA 0.404 45.498 45.100 -0.010 0.000 0.618 846 G HN 0.404 nan 8.290 nan 0.000 0.516 847 K N 1.677 122.094 120.400 0.029 0.000 2.156 847 K HA 0.656 4.991 4.320 0.025 0.000 0.271 847 K C -0.148 176.470 176.600 0.031 0.000 0.995 847 K CA -0.040 56.268 56.287 0.035 0.000 0.890 847 K CB 1.074 33.606 32.500 0.053 0.000 1.073 847 K HN 0.008 nan 8.250 nan 0.000 0.454 848 T N 6.114 120.676 114.554 0.013 0.000 2.727 848 T HA 0.224 4.589 4.350 0.025 0.000 0.298 848 T C 1.066 175.717 174.700 -0.081 0.000 0.942 848 T CA -0.437 61.666 62.100 0.005 0.000 0.997 848 T CB 0.337 69.224 68.868 0.032 0.000 0.917 848 T HN 0.554 nan 8.240 nan 0.000 0.487 849 L N 2.520 123.615 121.223 -0.214 0.000 2.102 849 L HA 0.294 4.649 4.340 0.025 0.000 0.202 849 L C -0.089 176.334 176.870 -0.745 0.000 1.076 849 L CA 1.059 55.502 54.840 -0.661 0.000 0.761 849 L CB 0.038 41.339 42.059 -1.263 0.000 0.921 849 L HN 0.538 nan 8.230 nan 0.000 0.444 850 F N -1.374 118.545 119.950 -0.052 0.000 2.619 850 F HA 0.541 5.083 4.527 0.025 0.000 0.308 850 F C -0.568 175.350 175.800 0.196 0.000 1.097 850 F CA -0.793 57.121 58.000 -0.144 0.000 0.953 850 F CB 1.829 40.331 39.000 -0.829 0.000 1.287 850 F HN -0.330 nan 8.300 nan 0.000 0.446 851 I N 1.576 122.366 120.570 0.367 0.000 2.466 851 I HA 0.363 4.548 4.170 0.025 0.000 0.289 851 I C -0.721 175.656 176.117 0.432 0.000 1.026 851 I CA -0.521 61.016 61.300 0.395 0.000 1.078 851 I CB 2.137 40.280 38.000 0.238 0.000 1.249 851 I HN 0.546 nan 8.210 nan 0.000 0.429 852 S N 6.829 122.887 115.700 0.597 0.000 2.474 852 S HA 0.558 5.043 4.470 0.025 0.000 0.321 852 S C -0.573 174.261 174.600 0.390 0.000 1.080 852 S CA -0.659 57.863 58.200 0.536 0.000 1.106 852 S CB 0.508 64.166 63.200 0.764 0.000 0.984 852 S HN 0.521 nan 8.310 nan 0.000 0.464 853 R N 3.631 124.284 120.500 0.256 0.000 2.445 853 R HA 0.573 4.929 4.340 0.025 0.000 0.308 853 R C -0.638 175.731 176.300 0.115 0.000 0.961 853 R CA -0.770 55.437 56.100 0.178 0.000 0.862 853 R CB 1.749 32.128 30.300 0.132 0.000 1.144 853 R HN 0.549 nan 8.270 nan 0.000 0.447 854 K N 0.772 121.233 120.400 0.102 0.000 2.480 854 K HA 0.465 4.800 4.320 0.025 0.000 0.258 854 K C -0.820 175.771 176.600 -0.015 0.000 0.990 854 K CA -0.912 55.362 56.287 -0.022 0.000 0.857 854 K CB 2.584 35.051 32.500 -0.055 0.000 1.384 854 K HN 0.646 nan 8.250 nan 0.000 0.446 855 T N -1.406 113.070 114.554 -0.131 0.000 2.893 855 T HA 0.578 4.944 4.350 0.025 0.000 0.293 855 T C -1.289 173.309 174.700 -0.170 0.000 1.027 855 T CA -0.741 61.325 62.100 -0.057 0.000 0.988 855 T CB 0.533 69.385 68.868 -0.027 0.000 1.043 855 T HN 0.395 nan 8.240 nan 0.000 0.461 856 Y N 0.886 121.147 120.300 -0.065 0.000 2.338 856 Y HA 0.647 5.212 4.550 0.025 0.000 0.333 856 Y C 0.380 176.207 175.900 -0.121 0.000 0.968 856 Y CA -1.111 56.966 58.100 -0.039 0.000 1.123 856 Y CB 2.008 40.466 38.460 -0.003 0.000 1.165 856 Y HN 0.714 nan 8.280 nan 0.000 0.452 857 R N 4.440 124.965 120.500 0.042 0.000 2.409 857 R HA 0.654 5.009 4.340 0.025 0.000 0.313 857 R C -1.753 174.492 176.300 -0.092 0.000 0.953 857 R CA -0.452 55.622 56.100 -0.043 0.000 0.849 857 R CB 0.684 30.967 30.300 -0.028 0.000 1.171 857 R HN 0.810 nan 8.270 nan 0.000 0.458 858 I N 5.019 125.473 120.570 -0.193 0.000 2.339 858 I HA 0.216 4.402 4.170 0.025 0.000 0.290 858 I C -0.321 175.672 176.117 -0.206 0.000 0.994 858 I CA -0.601 60.503 61.300 -0.326 0.000 1.191 858 I CB 1.547 39.152 38.000 -0.658 0.000 1.343 858 I HN 0.703 nan 8.210 nan 0.000 0.458 859 D N 4.011 124.333 120.400 -0.130 0.000 2.592 859 D HA 0.309 4.964 4.640 0.025 0.000 0.259 859 D C 1.250 177.536 176.300 -0.023 0.000 1.144 859 D CA -0.713 53.249 54.000 -0.062 0.000 1.080 859 D CB 0.701 41.483 40.800 -0.031 0.000 1.225 859 D HN 0.444 nan 8.370 nan 0.000 0.619 860 G N -0.958 107.841 108.800 -0.002 0.000 2.462 860 G HA2 -0.250 3.725 3.960 0.025 0.000 0.220 860 G HA3 -0.250 3.725 3.960 0.025 0.000 0.220 860 G C 1.275 176.195 174.900 0.035 0.000 1.121 860 G CA 1.307 46.421 45.100 0.023 0.000 0.758 860 G HN 0.588 nan 8.290 nan 0.000 0.559 861 S N -0.641 115.072 115.700 0.022 0.000 2.561 861 S HA 0.340 4.826 4.470 0.025 0.000 0.225 861 S C 1.908 176.562 174.600 0.090 0.000 0.977 861 S CA 0.973 59.193 58.200 0.034 0.000 0.926 861 S CB -0.135 63.076 63.200 0.018 0.000 0.769 861 S HN 1.559 nan 8.310 nan 0.000 0.533 862 G N 0.330 109.205 108.800 0.125 0.000 2.176 862 G HA2 -0.240 3.735 3.960 0.025 0.000 0.253 862 G HA3 -0.240 3.735 3.960 0.025 0.000 0.253 862 G C -0.186 174.863 174.900 0.249 0.000 0.979 862 G CA 0.157 45.406 45.100 0.249 0.000 0.641 862 G HN 0.623 nan 8.290 nan 0.000 0.530 863 Q N -0.469 119.408 119.800 0.129 0.000 2.230 863 Q HA 0.669 5.024 4.340 0.025 0.000 0.248 863 Q C 0.207 176.248 176.000 0.069 0.000 0.915 863 Q CA -0.299 55.587 55.803 0.138 0.000 0.900 863 Q CB 1.556 30.357 28.738 0.104 0.000 1.229 863 Q HN 0.429 nan 8.270 nan 0.000 0.439 864 M N 1.912 121.597 119.600 0.141 0.000 2.078 864 M HA 0.512 5.007 4.480 0.025 0.000 0.320 864 M C -1.450 174.958 176.300 0.180 0.000 0.969 864 M CA -0.515 54.832 55.300 0.078 0.000 0.929 864 M CB 1.018 33.688 32.600 0.117 0.000 1.504 864 M HN 0.704 nan 8.290 nan 0.000 0.419 865 A N 6.908 129.793 122.820 0.108 0.000 2.276 865 A HA 0.652 4.987 4.320 0.025 0.000 0.300 865 A C -0.713 176.909 177.584 0.064 0.000 1.235 865 A CA -0.548 51.551 52.037 0.104 0.000 0.867 865 A CB 0.028 19.069 19.000 0.068 0.000 1.137 865 A HN 0.920 nan 8.150 nan 0.000 0.527 866 I N 2.655 123.250 120.570 0.040 0.000 2.362 866 I HA 0.294 4.480 4.170 0.025 0.000 0.289 866 I C -0.110 175.896 176.117 -0.185 0.000 0.994 866 I CA -0.208 61.007 61.300 -0.142 0.000 1.158 866 I CB 2.001 39.938 38.000 -0.104 0.000 1.315 866 I HN 0.495 nan 8.210 nan 0.000 0.451 867 T N 5.793 120.207 114.554 -0.235 0.000 2.794 867 T HA 0.563 4.928 4.350 0.025 0.000 0.280 867 T C -0.250 174.247 174.700 -0.339 0.000 0.987 867 T CA -0.474 61.487 62.100 -0.231 0.000 0.993 867 T CB 1.946 70.776 68.868 -0.063 0.000 0.939 867 T HN 0.215 nan 8.240 nan 0.000 0.449 868 V N 3.488 123.078 119.914 -0.540 0.000 2.588 868 V HA 0.460 4.595 4.120 0.025 0.000 0.304 868 V C -0.834 175.085 176.094 -0.291 0.000 1.042 868 V CA -0.895 61.110 62.300 -0.493 0.000 0.877 868 V CB 2.097 33.345 31.823 -0.958 0.000 0.996 868 V HN 0.866 nan 8.190 nan 0.000 0.425 869 D N 3.437 123.832 120.400 -0.008 0.000 2.505 869 D HA 0.467 5.122 4.640 0.025 0.000 0.250 869 D C -0.960 175.458 176.300 0.197 0.000 1.164 869 D CA -0.094 53.999 54.000 0.155 0.000 0.870 869 D CB 2.667 43.582 40.800 0.191 0.000 1.160 869 D HN 0.240 nan 8.370 nan 0.000 0.549 870 V N 2.409 122.478 119.914 0.259 0.000 2.547 870 V HA 0.288 4.423 4.120 0.025 0.000 0.299 870 V C 0.171 176.408 176.094 0.238 0.000 1.040 870 V CA -0.610 61.858 62.300 0.280 0.000 0.913 870 V CB 2.301 34.327 31.823 0.339 0.000 0.992 870 V HN 0.355 nan 8.190 nan 0.000 0.449 871 E N 2.650 122.975 120.200 0.209 0.000 2.171 871 E HA 0.606 4.972 4.350 0.025 0.000 0.271 871 E C -1.535 175.172 176.600 0.179 0.000 0.916 871 E CA -0.590 55.911 56.400 0.169 0.000 0.774 871 E CB 2.531 32.313 29.700 0.137 0.000 1.128 871 E HN 0.408 nan 8.360 nan 0.000 0.403 872 V N 2.234 122.259 119.914 0.185 0.000 2.444 872 V HA 0.353 4.489 4.120 0.025 0.000 0.294 872 V C 0.127 176.312 176.094 0.152 0.000 1.022 872 V CA -0.953 61.477 62.300 0.215 0.000 0.850 872 V CB 1.392 33.382 31.823 0.278 0.000 0.992 872 V HN 0.844 nan 8.190 nan 0.000 0.426 873 A N 3.667 126.536 122.820 0.083 0.000 2.584 873 A HA 0.219 4.554 4.320 0.025 0.000 0.239 873 A C 1.703 179.359 177.584 0.120 0.000 1.043 873 A CA 0.705 52.782 52.037 0.065 0.000 0.756 873 A CB 0.197 19.200 19.000 0.006 0.000 0.963 873 A HN 1.390 nan 8.150 nan 0.000 0.511 874 S N 1.359 117.125 115.700 0.110 0.000 2.400 874 S HA -0.176 4.309 4.470 0.025 0.000 0.232 874 S C 0.901 175.584 174.600 0.139 0.000 1.025 874 S CA 1.443 59.727 58.200 0.140 0.000 0.993 874 S CB -0.309 62.953 63.200 0.103 0.000 0.808 874 S HN 0.833 nan 8.310 nan 0.000 0.478 875 D N 0.203 120.658 120.400 0.091 0.000 2.342 875 D HA 0.165 4.820 4.640 0.025 0.000 0.221 875 D C 0.393 176.729 176.300 0.061 0.000 1.101 875 D CA -0.046 53.991 54.000 0.062 0.000 0.837 875 D CB -0.376 40.447 40.800 0.039 0.000 0.938 875 D HN 0.297 nan 8.370 nan 0.000 0.508 876 T N 1.756 116.373 114.554 0.105 0.000 2.909 876 T HA 0.364 4.729 4.350 0.025 0.000 0.286 876 T C -2.557 172.253 174.700 0.183 0.000 1.002 876 T CA -1.905 60.283 62.100 0.147 0.000 1.074 876 T CB 1.113 70.085 68.868 0.172 0.000 0.984 876 T HN -0.121 nan 8.240 nan 0.000 0.495 877 P HA 0.030 nan 4.420 nan 0.000 0.264 877 P C -0.597 177.002 177.300 0.499 0.000 1.183 877 P CA 0.196 63.391 63.100 0.157 0.000 0.763 877 P CB -0.040 31.741 31.700 0.134 0.000 0.807 878 H N 3.675 123.119 119.070 0.622 0.000 3.034 878 H HA 0.090 4.661 4.556 0.025 0.000 0.324 878 H C -1.551 174.138 175.328 0.602 0.000 1.015 878 H CA -1.310 55.049 56.048 0.519 0.000 1.429 878 H CB -0.442 29.557 29.762 0.394 0.000 1.429 878 H HN 0.389 nan 8.280 nan 0.000 0.585 879 P HA 0.027 nan 4.420 nan 0.000 0.277 879 P C 0.076 177.284 177.300 -0.152 0.000 1.240 879 P CA -0.334 62.851 63.100 0.142 0.000 0.798 879 P CB 1.192 32.801 31.700 -0.151 0.000 0.979 880 A N 3.192 125.657 122.820 -0.593 0.000 2.015 880 A HA -0.084 4.251 4.320 0.025 0.000 0.219 880 A C 1.035 178.240 177.584 -0.633 0.000 1.163 880 A CA 1.248 52.912 52.037 -0.621 0.000 0.646 880 A CB -0.521 17.849 19.000 -1.050 0.000 0.806 880 A HN 0.743 nan 8.150 nan 0.000 0.448 881 R N -2.682 117.476 120.500 -0.570 0.000 2.716 881 R HA 0.734 5.089 4.340 0.025 0.000 0.271 881 R C -1.628 174.440 176.300 -0.386 0.000 1.028 881 R CA -0.783 55.002 56.100 -0.526 0.000 0.883 881 R CB 0.894 30.848 30.300 -0.577 0.000 1.250 881 R HN -0.014 nan 8.270 nan 0.000 0.465 882 I N 1.347 121.731 120.570 -0.309 0.000 2.521 882 I HA 0.634 4.819 4.170 0.025 0.000 0.277 882 I C -0.340 175.578 176.117 -0.332 0.000 1.054 882 I CA -0.314 60.844 61.300 -0.236 0.000 1.117 882 I CB 1.739 39.659 38.000 -0.133 0.000 1.217 882 I HN 0.966 nan 8.210 nan 0.000 0.469 883 G N 5.737 114.275 108.800 -0.436 0.000 2.753 883 G HA2 0.745 4.720 3.960 0.025 0.000 0.303 883 G HA3 0.745 4.720 3.960 0.025 0.000 0.303 883 G C -1.598 173.141 174.900 -0.268 0.000 1.242 883 G CA -0.583 44.296 45.100 -0.368 0.000 0.810 883 G HN 0.241 nan 8.290 nan 0.000 0.515 884 L N 0.979 122.091 121.223 -0.185 0.000 2.333 884 L HA 0.635 4.990 4.340 0.025 0.000 0.263 884 L C -0.667 176.105 176.870 -0.162 0.000 1.014 884 L CA -1.120 53.642 54.840 -0.130 0.000 0.820 884 L CB 2.401 44.464 42.059 0.007 0.000 1.352 884 L HN 0.781 nan 8.230 nan 0.000 0.421 885 N N 0.778 119.408 118.700 -0.115 0.000 2.416 885 N HA 0.706 5.461 4.740 0.025 0.000 0.276 885 N C -1.344 174.177 175.510 0.019 0.000 1.261 885 N CA -0.482 52.533 53.050 -0.057 0.000 0.790 885 N CB 2.563 41.029 38.487 -0.036 0.000 1.554 885 N HN 0.856 nan 8.380 nan 0.000 0.481 886 C N -0.933 118.397 119.300 0.052 0.000 3.307 886 C HA 0.553 5.028 4.460 0.025 0.000 0.333 886 C C -1.223 173.595 174.990 -0.287 0.000 1.291 886 C CA -0.819 58.174 59.018 -0.041 0.000 1.273 886 C CB 0.992 28.733 27.740 0.002 0.000 1.580 886 C HN 0.851 nan 8.230 nan 0.000 0.481 887 Q N 1.579 120.977 119.800 -0.670 0.000 2.368 887 Q HA 0.665 5.020 4.340 0.025 0.000 0.263 887 Q C -1.090 174.602 176.000 -0.513 0.000 1.009 887 Q CA -0.443 54.697 55.803 -1.104 0.000 0.818 887 Q CB 0.951 28.673 28.738 -1.693 0.000 1.239 887 Q HN 0.788 nan 8.270 nan 0.000 0.464 888 L N 2.445 123.474 121.223 -0.322 0.000 2.395 888 L HA 0.304 4.659 4.340 0.025 0.000 0.269 888 L C 1.211 178.011 176.870 -0.118 0.000 1.133 888 L CA -0.186 54.589 54.840 -0.107 0.000 0.812 888 L CB 0.904 43.010 42.059 0.077 0.000 1.125 888 L HN 0.823 nan 8.230 nan 0.000 0.452 889 A N 1.930 124.710 122.820 -0.066 0.000 1.969 889 A HA -0.114 4.221 4.320 0.025 0.000 0.218 889 A C 1.122 178.693 177.584 -0.023 0.000 1.169 889 A CA 0.723 52.717 52.037 -0.071 0.000 0.635 889 A CB -0.270 18.684 19.000 -0.077 0.000 0.810 889 A HN 0.793 nan 8.150 nan 0.000 0.445 890 Q N -0.332 119.492 119.800 0.039 0.000 2.354 890 Q HA 0.444 4.799 4.340 0.025 0.000 0.244 890 Q C -1.234 174.813 176.000 0.078 0.000 0.969 890 Q CA -0.012 55.813 55.803 0.036 0.000 0.885 890 Q CB 1.046 29.815 28.738 0.052 0.000 1.241 890 Q HN 0.131 nan 8.270 nan 0.000 0.461 891 V N 3.349 123.277 119.914 0.023 0.000 2.325 891 V HA 0.668 4.803 4.120 0.025 0.000 0.280 891 V C -0.452 175.624 176.094 -0.030 0.000 1.016 891 V CA -0.476 61.866 62.300 0.069 0.000 0.818 891 V CB 0.660 32.505 31.823 0.036 0.000 1.019 891 V HN 0.874 nan 8.190 nan 0.000 0.434 892 A N 3.055 125.785 122.820 -0.150 0.000 2.281 892 A HA 0.697 5.033 4.320 0.025 0.000 0.329 892 A C 0.820 178.394 177.584 -0.017 0.000 1.122 892 A CA -0.409 51.473 52.037 -0.257 0.000 0.850 892 A CB 1.099 19.695 19.000 -0.674 0.000 1.207 892 A HN 0.791 nan 8.150 nan 0.000 0.495 893 E N -0.392 119.799 120.200 -0.015 0.000 2.158 893 E HA -0.023 4.342 4.350 0.025 0.000 0.191 893 E C 0.194 176.862 176.600 0.113 0.000 0.982 893 E CA 0.752 57.183 56.400 0.051 0.000 0.823 893 E CB 0.209 29.923 29.700 0.023 0.000 0.766 893 E HN 0.455 nan 8.360 nan 0.000 0.468 894 R N -0.192 120.383 120.500 0.124 0.000 2.854 894 R HA 0.494 4.849 4.340 0.025 0.000 0.271 894 R C -1.014 175.465 176.300 0.298 0.000 0.996 894 R CA -0.939 55.269 56.100 0.180 0.000 0.961 894 R CB 1.755 32.133 30.300 0.129 0.000 1.182 894 R HN -0.175 nan 8.270 nan 0.000 0.479 895 V N 2.154 122.260 119.914 0.321 0.000 2.483 895 V HA 0.385 4.521 4.120 0.025 0.000 0.297 895 V C -0.309 176.058 176.094 0.456 0.000 1.027 895 V CA -0.898 61.629 62.300 0.379 0.000 0.855 895 V CB 1.842 33.829 31.823 0.274 0.000 0.995 895 V HN 0.640 nan 8.190 nan 0.000 0.424 896 N N 4.691 123.633 118.700 0.404 0.000 2.346 896 N HA 0.518 5.273 4.740 0.025 0.000 0.289 896 N C -1.395 174.363 175.510 0.414 0.000 1.027 896 N CA -0.436 52.824 53.050 0.350 0.000 0.864 896 N CB 2.669 41.257 38.487 0.169 0.000 1.370 896 N HN 0.801 nan 8.380 nan 0.000 0.481 897 W N 3.267 124.602 121.300 0.059 0.000 3.083 897 W HA 0.607 5.282 4.660 0.025 0.000 0.333 897 W C -2.015 174.467 176.519 -0.061 0.000 1.217 897 W CA -1.123 56.230 57.345 0.014 0.000 1.170 897 W CB 0.761 30.254 29.460 0.054 0.000 1.437 897 W HN 0.231 nan 8.180 nan 0.000 0.557 898 L N 4.098 125.301 121.223 -0.033 0.000 2.295 898 L HA 0.909 5.264 4.340 0.025 0.000 0.281 898 L C 0.033 176.752 176.870 -0.253 0.000 1.018 898 L CA 0.387 55.017 54.840 -0.349 0.000 0.841 898 L CB 0.644 42.575 42.059 -0.213 0.000 1.218 898 L HN 0.998 nan 8.230 nan 0.000 0.424 899 G N 3.755 112.240 108.800 -0.524 0.000 2.336 899 G HA2 0.196 4.171 3.960 0.025 0.000 0.286 899 G HA3 0.196 4.171 3.960 0.025 0.000 0.286 899 G C -1.682 173.261 174.900 0.072 0.000 1.269 899 G CA -1.037 44.020 45.100 -0.070 0.000 0.873 899 G HN 0.440 nan 8.290 nan 0.000 0.494 900 L N 0.892 122.297 121.223 0.303 0.000 2.371 900 L HA 0.646 5.001 4.340 0.025 0.000 0.272 900 L C 1.098 178.102 176.870 0.224 0.000 1.124 900 L CA 0.715 55.697 54.840 0.237 0.000 0.816 900 L CB 0.843 42.988 42.059 0.144 0.000 1.129 900 L HN 1.246 nan 8.230 nan 0.000 0.448 901 G N 2.302 111.034 108.800 -0.113 0.000 2.364 901 G HA2 0.194 4.169 3.960 0.025 0.000 0.286 901 G HA3 0.194 4.169 3.960 0.025 0.000 0.286 901 G C -2.730 171.410 174.900 -1.266 0.000 1.241 901 G CA -0.220 44.512 45.100 -0.613 0.000 0.887 901 G HN 0.330 nan 8.290 nan 0.000 0.484 902 P HA 0.093 nan 4.420 nan 0.000 0.235 902 P C 0.465 177.575 177.300 -0.316 0.000 1.177 902 P CA 0.599 63.048 63.100 -1.084 0.000 0.785 902 P CB 0.440 31.598 31.700 -0.903 0.000 0.885 903 Q N 0.513 120.123 119.800 -0.316 0.000 2.318 903 Q HA 0.143 4.498 4.340 0.025 0.000 0.222 903 Q C 0.391 176.294 176.000 -0.163 0.000 1.003 903 Q CA -0.585 55.111 55.803 -0.179 0.000 0.936 903 Q CB 0.652 29.302 28.738 -0.147 0.000 1.204 903 Q HN 0.137 nan 8.270 nan 0.000 0.524 904 E N 1.216 121.327 120.200 -0.148 0.000 2.502 904 E HA -0.109 4.256 4.350 0.025 0.000 0.261 904 E C -1.107 175.419 176.600 -0.123 0.000 0.974 904 E CA 0.274 56.573 56.400 -0.167 0.000 0.936 904 E CB 0.280 29.949 29.700 -0.051 0.000 0.926 904 E HN 0.595 nan 8.360 nan 0.000 0.459 905 N N 2.558 121.116 118.700 -0.236 0.000 2.367 905 N HA 0.305 5.060 4.740 0.025 0.000 0.278 905 N C -1.897 173.398 175.510 -0.359 0.000 1.117 905 N CA -0.657 52.299 53.050 -0.156 0.000 0.867 905 N CB 0.727 39.145 38.487 -0.115 0.000 1.649 905 N HN 0.246 nan 8.380 nan 0.000 0.479 906 Y N 0.280 120.486 120.300 -0.157 0.000 2.630 906 Y HA 0.515 5.080 4.550 0.025 0.000 0.337 906 Y C -1.645 174.168 175.900 -0.144 0.000 1.051 906 Y CA -2.086 55.905 58.100 -0.182 0.000 1.121 906 Y CB 1.884 40.232 38.460 -0.188 0.000 1.299 906 Y HN 0.438 nan 8.280 nan 0.000 0.498 907 P HA -0.171 nan 4.420 nan 0.000 0.216 907 P C 0.399 177.507 177.300 -0.320 0.000 1.153 907 P CA 2.139 65.240 63.100 0.001 0.000 0.858 907 P CB 0.213 32.032 31.700 0.197 0.000 0.789 908 D N -2.270 117.743 120.400 -0.646 0.000 2.342 908 D HA 0.007 4.662 4.640 0.025 0.000 0.221 908 D C 0.671 176.799 176.300 -0.287 0.000 1.101 908 D CA 0.067 53.482 54.000 -0.974 0.000 0.837 908 D CB -0.212 39.816 40.800 -1.286 0.000 0.938 908 D HN 0.116 nan 8.370 nan 0.000 0.508 909 R N 1.056 121.493 120.500 -0.106 0.000 2.684 909 R HA 0.194 4.549 4.340 0.025 0.000 0.252 909 R C -0.597 175.729 176.300 0.043 0.000 1.628 909 R CA -0.172 55.936 56.100 0.012 0.000 1.622 909 R CB 0.046 30.360 30.300 0.023 0.000 1.418 909 R HN 0.094 nan 8.270 nan 0.000 0.697 910 L N -1.679 119.578 121.223 0.056 0.000 3.259 910 L HA 0.341 4.696 4.340 0.025 0.000 0.292 910 L C 1.380 178.312 176.870 0.104 0.000 1.219 910 L CA 0.122 54.998 54.840 0.060 0.000 1.035 910 L CB 0.185 42.266 42.059 0.037 0.000 1.424 910 L HN 0.103 nan 8.230 nan 0.000 0.603 911 T N -2.532 112.112 114.554 0.150 0.000 2.867 911 T HA 0.005 4.370 4.350 0.025 0.000 0.268 911 T C 1.787 176.569 174.700 0.137 0.000 1.057 911 T CA 1.292 63.512 62.100 0.201 0.000 1.136 911 T CB -0.336 68.703 68.868 0.284 0.000 0.874 911 T HN 0.378 nan 8.240 nan 0.000 0.466 912 A N 1.578 124.483 122.820 0.142 0.000 2.067 912 A HA 0.647 4.983 4.320 0.025 0.000 0.217 912 A C 1.625 179.303 177.584 0.156 0.000 1.156 912 A CA 0.501 52.584 52.037 0.077 0.000 0.683 912 A CB -0.938 18.230 19.000 0.281 0.000 0.808 912 A HN 0.836 nan 8.150 nan 0.000 0.455 913 A N -1.144 121.712 122.820 0.061 0.000 2.386 913 A HA 0.444 4.779 4.320 0.025 0.000 0.248 913 A C 0.030 177.640 177.584 0.044 0.000 1.082 913 A CA 0.022 52.050 52.037 -0.016 0.000 0.789 913 A CB -0.107 18.874 19.000 -0.032 0.000 1.025 913 A HN 0.500 nan 8.150 nan 0.000 0.490 914 C N 0.256 119.576 119.300 0.034 0.000 2.561 914 C HA 0.538 5.013 4.460 0.025 0.000 0.319 914 C C -0.201 174.902 174.990 0.187 0.000 1.198 914 C CA -0.513 58.580 59.018 0.125 0.000 1.665 914 C CB 0.901 28.729 27.740 0.146 0.000 2.258 914 C HN 0.791 nan 8.230 nan 0.000 0.493 915 F N 3.768 123.576 119.950 -0.238 0.000 2.444 915 F HA 0.481 5.023 4.527 0.025 0.000 0.360 915 F C 0.350 175.810 175.800 -0.568 0.000 1.106 915 F CA 1.221 58.918 58.000 -0.504 0.000 1.170 915 F CB -0.050 38.154 39.000 -1.327 0.000 1.113 915 F HN 0.625 nan 8.300 nan 0.000 0.521 916 D N 3.864 123.582 120.400 -1.137 0.000 2.792 916 D HA 0.193 4.848 4.640 0.025 0.000 0.335 916 D C -1.598 173.762 176.300 -1.567 0.000 1.353 916 D CA -0.757 52.481 54.000 -1.271 0.000 0.839 916 D CB 1.626 41.560 40.800 -1.444 0.000 1.396 916 D HN 0.552 nan 8.370 nan 0.000 0.479 917 R N 0.696 120.389 120.500 -1.345 0.000 2.229 917 R HA 0.521 4.877 4.340 0.025 0.000 0.328 917 R C -1.163 174.392 176.300 -1.241 0.000 1.009 917 R CA -0.422 55.049 56.100 -1.048 0.000 0.864 917 R CB 0.598 30.549 30.300 -0.581 0.000 1.085 917 R HN 0.294 nan 8.270 nan 0.000 0.453 918 W N 2.597 123.384 121.300 -0.854 0.000 2.706 918 W HA 0.375 5.050 4.660 0.025 0.000 0.346 918 W C -0.514 175.642 176.519 -0.605 0.000 1.071 918 W CA -0.669 56.136 57.345 -0.899 0.000 1.206 918 W CB 1.794 30.224 29.460 -1.716 0.000 1.413 918 W HN 0.361 nan 8.180 nan 0.000 0.542 919 D N 2.737 123.113 120.400 -0.039 0.000 2.616 919 D HA 0.437 5.092 4.640 0.025 0.000 0.238 919 D C -1.539 174.864 176.300 0.172 0.000 1.354 919 D CA -0.147 53.917 54.000 0.107 0.000 0.970 919 D CB 1.081 41.903 40.800 0.035 0.000 1.369 919 D HN 0.368 nan 8.370 nan 0.000 0.585 920 L N 3.182 124.577 121.223 0.287 0.000 2.350 920 L HA 0.564 4.919 4.340 0.025 0.000 0.260 920 L C -2.266 174.721 176.870 0.194 0.000 1.015 920 L CA -2.173 52.804 54.840 0.229 0.000 0.821 920 L CB 2.685 44.918 42.059 0.290 0.000 1.370 920 L HN 0.179 nan 8.230 nan 0.000 0.416 921 P HA 0.005 nan 4.420 nan 0.000 0.269 921 P C 0.568 177.949 177.300 0.135 0.000 1.209 921 P CA -0.313 62.860 63.100 0.121 0.000 0.776 921 P CB 0.915 32.666 31.700 0.085 0.000 0.876 922 L N 3.420 124.729 121.223 0.143 0.000 2.043 922 L HA -0.252 4.103 4.340 0.025 0.000 0.212 922 L C 2.357 179.280 176.870 0.089 0.000 1.075 922 L CA 2.755 57.671 54.840 0.126 0.000 0.752 922 L CB -1.470 40.678 42.059 0.148 0.000 0.891 922 L HN 0.482 nan 8.230 nan 0.000 0.432 923 S N -1.609 114.145 115.700 0.090 0.000 2.419 923 S HA -0.204 4.282 4.470 0.025 0.000 0.235 923 S C 1.624 176.298 174.600 0.124 0.000 1.019 923 S CA 1.270 59.538 58.200 0.113 0.000 0.982 923 S CB -0.829 62.433 63.200 0.103 0.000 0.789 923 S HN 0.557 nan 8.310 nan 0.000 0.490 924 D N 1.183 121.632 120.400 0.081 0.000 2.350 924 D HA 0.067 4.722 4.640 0.025 0.000 0.216 924 D C 1.347 177.658 176.300 0.020 0.000 0.968 924 D CA 0.647 54.674 54.000 0.044 0.000 0.894 924 D CB -0.173 40.660 40.800 0.055 0.000 0.909 924 D HN 0.417 nan 8.370 nan 0.000 0.520 925 M N -0.446 119.176 119.600 0.037 0.000 2.561 925 M HA 0.037 4.532 4.480 0.025 0.000 0.238 925 M C 0.051 176.363 176.300 0.020 0.000 1.131 925 M CA 0.041 55.321 55.300 -0.033 0.000 1.046 925 M CB -0.762 31.804 32.600 -0.057 0.000 1.532 925 M HN -0.037 nan 8.290 nan 0.000 0.497 926 Y N 0.109 120.382 120.300 -0.046 0.000 2.364 926 Y HA 0.490 5.055 4.550 0.026 0.000 0.340 926 Y C -0.760 175.118 175.900 -0.038 0.000 0.975 926 Y CA -1.024 57.072 58.100 -0.006 0.000 1.089 926 Y CB 1.248 39.764 38.460 0.093 0.000 1.192 926 Y HN -0.152 nan 8.280 nan 0.000 0.454 927 T N 9.236 123.436 114.554 -0.589 0.000 2.743 927 T HA 0.278 4.643 4.350 0.025 0.000 0.292 927 T C -2.606 171.442 174.700 -1.087 0.000 0.972 927 T CA -1.470 60.196 62.100 -0.723 0.000 0.967 927 T CB 1.041 69.549 68.868 -0.600 0.000 0.926 927 T HN 0.475 nan 8.240 nan 0.000 0.459 928 P HA 0.106 nan 4.420 nan 0.000 0.225 928 P C -0.556 176.715 177.300 -0.048 0.000 1.768 928 P CA -0.423 62.294 63.100 -0.639 0.000 0.943 928 P CB -0.710 30.752 31.700 -0.398 0.000 1.936 929 Y N -0.361 119.982 120.300 0.072 0.000 2.805 929 Y HA -0.125 4.440 4.550 0.025 0.000 0.337 929 Y C 2.319 178.345 175.900 0.209 0.000 1.252 929 Y CA -0.379 57.838 58.100 0.195 0.000 1.515 929 Y CB 0.432 38.889 38.460 -0.006 0.000 1.305 929 Y HN -0.091 nan 8.280 nan 0.000 0.600 930 V N 3.259 123.460 119.914 0.478 0.000 2.332 930 V HA -0.299 3.836 4.120 0.025 0.000 0.248 930 V C 0.505 176.784 176.094 0.307 0.000 1.055 930 V CA 1.419 63.953 62.300 0.388 0.000 1.038 930 V CB -0.551 31.527 31.823 0.425 0.000 0.651 930 V HN 0.577 nan 8.190 nan 0.000 0.450 931 F N 3.140 123.155 119.950 0.108 0.000 2.371 931 F HA 0.522 5.064 4.527 0.026 0.000 0.363 931 F C -2.555 173.257 175.800 0.020 0.000 1.122 931 F CA -3.528 54.467 58.000 -0.008 0.000 1.129 931 F CB 0.772 39.640 39.000 -0.220 0.000 1.173 931 F HN -0.010 nan 8.300 nan 0.000 0.489 932 P HA 0.287 nan 4.420 nan 0.000 0.271 932 P C -1.071 175.920 177.300 -0.515 0.000 1.216 932 P CA 0.035 62.901 63.100 -0.391 0.000 0.776 932 P CB 1.308 32.810 31.700 -0.329 0.000 0.881 933 S N 0.100 115.683 115.700 -0.195 0.000 2.727 933 S HA 0.462 4.947 4.470 0.025 0.000 0.278 933 S C -0.792 173.794 174.600 -0.022 0.000 1.186 933 S CA -0.967 57.155 58.200 -0.130 0.000 0.836 933 S CB 0.398 63.544 63.200 -0.090 0.000 1.186 933 S HN 0.344 nan 8.310 nan 0.000 0.499 934 E N 1.131 121.330 120.200 -0.002 0.000 2.502 934 E HA 0.353 4.718 4.350 0.025 0.000 0.261 934 E C -0.213 176.440 176.600 0.087 0.000 0.974 934 E CA 0.693 57.123 56.400 0.050 0.000 0.936 934 E CB -0.190 29.564 29.700 0.091 0.000 0.926 934 E HN 0.785 nan 8.360 nan 0.000 0.459 935 N N 1.495 120.289 118.700 0.156 0.000 3.046 935 N HA 0.489 5.244 4.740 0.025 0.000 0.243 935 N C 0.175 175.757 175.510 0.121 0.000 1.452 935 N CA -0.551 52.638 53.050 0.230 0.000 0.882 935 N CB 1.014 39.656 38.487 0.258 0.000 1.425 935 N HN 0.741 nan 8.380 nan 0.000 0.517 936 G N -1.308 107.529 108.800 0.062 0.000 2.184 936 G HA2 -0.263 3.713 3.960 0.025 0.000 0.264 936 G HA3 -0.263 3.713 3.960 0.025 0.000 0.264 936 G C -0.234 174.418 174.900 -0.414 0.000 0.975 936 G CA 0.399 45.410 45.100 -0.149 0.000 0.642 936 G HN 0.697 nan 8.290 nan 0.000 0.536 937 L N 0.123 121.014 121.223 -0.553 0.000 2.483 937 L HA 0.671 5.026 4.340 0.025 0.000 0.275 937 L C 0.677 176.974 176.870 -0.956 0.000 1.220 937 L CA 0.397 54.665 54.840 -0.954 0.000 0.833 937 L CB 0.561 41.706 42.059 -1.522 0.000 1.102 937 L HN 0.253 nan 8.230 nan 0.000 0.490 938 R N 2.279 122.134 120.500 -1.075 0.000 2.532 938 R HA 0.501 4.856 4.340 0.025 0.000 0.297 938 R C -1.003 174.957 176.300 -0.567 0.000 0.984 938 R CA -0.271 55.339 56.100 -0.817 0.000 0.884 938 R CB 1.404 31.084 30.300 -1.032 0.000 1.182 938 R HN 0.699 nan 8.270 nan 0.000 0.442 939 C N 0.314 119.428 119.300 -0.309 0.000 2.380 939 C HA 0.710 5.185 4.460 0.025 0.000 0.393 939 C C 1.294 176.268 174.990 -0.026 0.000 1.284 939 C CA 0.027 58.941 59.018 -0.174 0.000 2.033 939 C CB 1.321 28.982 27.740 -0.131 0.000 2.165 939 C HN 1.023 nan 8.230 nan 0.000 0.540 940 G N 1.702 110.498 108.800 -0.007 0.000 2.341 940 G HA2 -0.190 3.786 3.960 0.025 0.000 0.292 940 G HA3 -0.190 3.786 3.960 0.025 0.000 0.292 940 G C -0.042 174.925 174.900 0.111 0.000 1.021 940 G CA 0.632 45.778 45.100 0.077 0.000 0.905 940 G HN 0.799 nan 8.290 nan 0.000 0.508 941 T N -0.034 114.449 114.554 -0.118 0.000 2.799 941 T HA 0.527 4.892 4.350 0.025 0.000 0.286 941 T C 1.286 175.654 174.700 -0.554 0.000 0.973 941 T CA -0.610 61.352 62.100 -0.230 0.000 1.035 941 T CB 1.448 70.193 68.868 -0.205 0.000 0.932 941 T HN 0.198 nan 8.240 nan 0.000 0.469 942 R N 1.461 121.876 120.500 -0.142 0.000 2.282 942 R HA 0.299 4.654 4.340 0.025 0.000 0.195 942 R C 0.518 176.866 176.300 0.080 0.000 0.909 942 R CA 0.189 56.282 56.100 -0.010 0.000 1.039 942 R CB 0.328 30.746 30.300 0.197 0.000 1.015 942 R HN 0.718 nan 8.270 nan 0.000 0.513 943 E N 0.409 120.660 120.200 0.084 0.000 2.335 943 E HA 0.362 4.727 4.350 0.025 0.000 0.280 943 E C -1.849 174.900 176.600 0.248 0.000 0.918 943 E CA -0.703 55.830 56.400 0.220 0.000 0.765 943 E CB 1.491 31.284 29.700 0.153 0.000 1.218 943 E HN -0.093 nan 8.360 nan 0.000 0.425 944 L N 3.825 125.255 121.223 0.345 0.000 2.410 944 L HA 0.607 4.962 4.340 0.025 0.000 0.270 944 L C -1.914 175.151 176.870 0.326 0.000 0.983 944 L CA -0.420 54.554 54.840 0.224 0.000 0.822 944 L CB 1.894 43.939 42.059 -0.023 0.000 1.285 944 L HN 0.507 nan 8.230 nan 0.000 0.409 945 N N 4.245 123.108 118.700 0.272 0.000 2.314 945 N HA 0.441 5.196 4.740 0.025 0.000 0.294 945 N C -2.022 173.715 175.510 0.378 0.000 1.029 945 N CA -0.251 52.957 53.050 0.264 0.000 0.845 945 N CB 2.287 40.871 38.487 0.162 0.000 1.321 945 N HN 0.621 nan 8.380 nan 0.000 0.481 946 Y N 1.057 121.497 120.300 0.233 0.000 2.358 946 Y HA 0.401 4.966 4.550 0.025 0.000 0.324 946 Y C 0.613 176.613 175.900 0.167 0.000 1.123 946 Y CA 0.171 58.409 58.100 0.229 0.000 1.067 946 Y CB 0.696 39.357 38.460 0.335 0.000 1.230 946 Y HN 0.843 nan 8.280 nan 0.000 0.429 947 G N 6.399 115.008 108.800 -0.318 0.000 2.611 947 G HA2 -0.297 3.679 3.960 0.025 0.000 0.301 947 G HA3 -0.297 3.679 3.960 0.025 0.000 0.301 947 G C -1.801 172.966 174.900 -0.222 0.000 1.233 947 G CA 0.144 45.050 45.100 -0.322 0.000 0.993 947 G HN 0.617 nan 8.290 nan 0.000 0.553 948 P HA 0.186 nan 4.420 nan 0.000 0.255 948 P C 0.059 177.115 177.300 -0.406 0.000 1.248 948 P CA 0.513 63.397 63.100 -0.361 0.000 0.807 948 P CB 0.058 31.498 31.700 -0.434 0.000 1.150 949 H N 0.532 119.524 119.070 -0.131 0.000 2.467 949 H HA 0.461 5.033 4.556 0.025 0.000 0.331 949 H C -0.116 174.917 175.328 -0.492 0.000 1.120 949 H CA -0.016 55.809 56.048 -0.372 0.000 1.270 949 H CB 1.732 31.056 29.762 -0.729 0.000 1.466 949 H HN 0.093 nan 8.280 nan 0.000 0.504 950 Q N 2.694 122.221 119.800 -0.456 0.000 2.305 950 Q HA 0.263 4.618 4.340 0.025 0.000 0.271 950 Q C -1.582 174.171 176.000 -0.410 0.000 1.046 950 Q CA -0.715 54.935 55.803 -0.254 0.000 0.798 950 Q CB 2.138 30.854 28.738 -0.035 0.000 1.286 950 Q HN 0.578 nan 8.270 nan 0.000 0.435 951 W N 3.582 124.850 121.300 -0.053 0.000 2.702 951 W HA 0.587 5.262 4.660 0.026 0.000 0.331 951 W C -0.276 176.324 176.519 0.135 0.000 1.049 951 W CA -0.727 56.554 57.345 -0.106 0.000 1.230 951 W CB 2.121 31.310 29.460 -0.452 0.000 1.408 951 W HN 0.556 nan 8.180 nan 0.000 0.492 952 R N 0.488 121.228 120.500 0.401 0.000 2.795 952 R HA 0.800 5.155 4.340 0.025 0.000 0.275 952 R C 0.158 176.745 176.300 0.479 0.000 0.981 952 R CA -0.485 55.876 56.100 0.435 0.000 0.917 952 R CB 2.460 32.920 30.300 0.267 0.000 1.202 952 R HN 0.744 nan 8.270 nan 0.000 0.469 953 G N 0.546 109.630 108.800 0.474 0.000 2.564 953 G HA2 0.014 3.990 3.960 0.025 0.000 0.139 953 G HA3 0.014 3.990 3.960 0.025 0.000 0.139 953 G C -1.765 173.300 174.900 0.274 0.000 1.147 953 G CA -0.321 45.025 45.100 0.409 0.000 1.031 953 G HN 0.504 nan 8.290 nan 0.000 0.482 954 D N 0.062 120.629 120.400 0.277 0.000 2.472 954 D HA 0.581 5.237 4.640 0.025 0.000 0.248 954 D C -0.645 175.681 176.300 0.043 0.000 1.271 954 D CA -0.489 53.547 54.000 0.062 0.000 0.888 954 D CB 0.074 40.929 40.800 0.092 0.000 1.337 954 D HN 0.556 nan 8.370 nan 0.000 0.526 955 F N -0.355 119.592 119.950 -0.005 0.000 2.790 955 F HA 0.737 5.279 4.527 0.025 0.000 0.337 955 F C -0.995 174.764 175.800 -0.068 0.000 1.163 955 F CA -1.026 56.907 58.000 -0.110 0.000 0.997 955 F CB 0.750 39.684 39.000 -0.110 0.000 1.437 955 F HN -0.164 nan 8.300 nan 0.000 0.512 956 Q N 1.493 121.372 119.800 0.130 0.000 2.345 956 Q HA 0.626 4.981 4.340 0.025 0.000 0.268 956 Q C -1.285 174.786 176.000 0.118 0.000 1.054 956 Q CA -0.509 55.282 55.803 -0.020 0.000 0.835 956 Q CB 2.703 31.326 28.738 -0.192 0.000 1.339 956 Q HN 0.853 nan 8.270 nan 0.000 0.447 957 F N -1.027 118.818 119.950 -0.175 0.000 2.662 957 F HA 0.762 5.305 4.527 0.026 0.000 0.312 957 F C -1.417 174.172 175.800 -0.351 0.000 1.113 957 F CA -1.103 56.752 58.000 -0.241 0.000 0.951 957 F CB 1.582 40.459 39.000 -0.206 0.000 1.344 957 F HN 0.573 nan 8.300 nan 0.000 0.462 958 N N 1.217 119.715 118.700 -0.337 0.000 2.357 958 N HA 0.746 5.501 4.740 0.025 0.000 0.284 958 N C -2.080 173.369 175.510 -0.102 0.000 1.236 958 N CA -0.779 52.057 53.050 -0.356 0.000 0.774 958 N CB 2.663 40.965 38.487 -0.308 0.000 1.534 958 N HN 1.128 nan 8.380 nan 0.000 0.478 959 I N 0.241 120.746 120.570 -0.110 0.000 2.649 959 I HA 0.647 4.832 4.170 0.025 0.000 0.289 959 I C -1.483 174.555 176.117 -0.131 0.000 1.222 959 I CA 0.088 61.297 61.300 -0.151 0.000 1.046 959 I CB 1.273 39.123 38.000 -0.250 0.000 1.272 959 I HN 1.067 nan 8.210 nan 0.000 0.425 960 S N 6.298 121.933 115.700 -0.109 0.000 2.655 960 S HA 0.524 5.009 4.470 0.025 0.000 0.266 960 S C -0.406 174.092 174.600 -0.170 0.000 1.149 960 S CA -0.964 57.161 58.200 -0.125 0.000 0.818 960 S CB 1.716 64.900 63.200 -0.026 0.000 1.130 960 S HN 0.623 nan 8.310 nan 0.000 0.476 961 R N -0.025 120.202 120.500 -0.454 0.000 2.426 961 R HA 0.281 4.636 4.340 0.025 0.000 0.263 961 R C -0.979 175.018 176.300 -0.505 0.000 0.961 961 R CA 0.203 56.039 56.100 -0.440 0.000 1.086 961 R CB -0.884 29.043 30.300 -0.621 0.000 1.186 961 R HN 0.656 nan 8.270 nan 0.000 0.537 962 Y N 0.311 120.581 120.300 -0.050 0.000 2.341 962 Y HA 0.211 4.777 4.550 0.025 0.000 0.338 962 Y C 0.776 176.476 175.900 -0.334 0.000 0.965 962 Y CA -1.070 56.914 58.100 -0.192 0.000 1.108 962 Y CB 1.475 39.762 38.460 -0.288 0.000 1.180 962 Y HN -0.080 nan 8.280 nan 0.000 0.458 963 S N 1.523 116.897 115.700 -0.543 0.000 2.603 963 S HA 0.061 4.547 4.470 0.025 0.000 0.268 963 S C 0.882 175.145 174.600 -0.562 0.000 1.317 963 S CA -0.803 56.693 58.200 -1.173 0.000 1.012 963 S CB 1.161 63.484 63.200 -1.462 0.000 0.926 963 S HN 0.713 nan 8.310 nan 0.000 0.539 964 Q N 0.618 120.101 119.800 -0.528 0.000 2.124 964 Q HA -0.191 4.164 4.340 0.025 0.000 0.202 964 Q C 2.192 178.048 176.000 -0.239 0.000 0.977 964 Q CA 1.714 57.350 55.803 -0.279 0.000 0.850 964 Q CB -0.524 28.082 28.738 -0.219 0.000 0.901 964 Q HN 0.949 nan 8.270 nan 0.000 0.429 965 Q N 0.566 120.185 119.800 -0.301 0.000 2.084 965 Q HA -0.214 4.141 4.340 0.025 0.000 0.202 965 Q C 2.122 178.015 176.000 -0.177 0.000 0.978 965 Q CA 1.478 57.164 55.803 -0.194 0.000 0.844 965 Q CB 0.035 28.663 28.738 -0.184 0.000 0.898 965 Q HN 0.410 nan 8.270 nan 0.000 0.426 966 Q N 0.038 119.705 119.800 -0.221 0.000 2.084 966 Q HA -0.169 4.186 4.340 0.025 0.000 0.202 966 Q C 2.183 178.060 176.000 -0.205 0.000 0.978 966 Q CA 1.299 56.986 55.803 -0.193 0.000 0.844 966 Q CB -0.063 28.539 28.738 -0.228 0.000 0.898 966 Q HN 0.470 nan 8.270 nan 0.000 0.426 967 L N 0.420 121.516 121.223 -0.212 0.000 2.083 967 L HA -0.203 4.152 4.340 0.025 0.000 0.209 967 L C 2.649 179.393 176.870 -0.210 0.000 1.083 967 L CA 1.293 56.002 54.840 -0.217 0.000 0.752 967 L CB -0.450 41.513 42.059 -0.160 0.000 0.899 967 L HN 0.445 nan 8.230 nan 0.000 0.433 968 M N -1.648 117.859 119.600 -0.156 0.000 2.319 968 M HA -0.108 4.387 4.480 0.025 0.000 0.265 968 M C 1.382 177.615 176.300 -0.112 0.000 1.068 968 M CA 1.631 56.857 55.300 -0.124 0.000 1.118 968 M CB -0.515 32.020 32.600 -0.109 0.000 1.395 968 M HN 0.102 nan 8.290 nan 0.000 0.435 969 E N 0.846 120.978 120.200 -0.113 0.000 2.479 969 E HA 0.103 4.469 4.350 0.025 0.000 0.193 969 E C -0.330 176.226 176.600 -0.073 0.000 1.049 969 E CA 0.147 56.503 56.400 -0.074 0.000 0.870 969 E CB 0.425 30.089 29.700 -0.061 0.000 0.944 969 E HN 0.390 nan 8.360 nan 0.000 0.492 970 T N -0.047 114.429 114.554 -0.130 0.000 2.807 970 T HA 0.135 4.501 4.350 0.025 0.000 0.279 970 T C 0.830 175.437 174.700 -0.155 0.000 0.993 970 T CA -0.565 61.457 62.100 -0.129 0.000 0.970 970 T CB 1.710 70.462 68.868 -0.193 0.000 0.950 970 T HN 0.009 nan 8.240 nan 0.000 0.441 971 S N 1.432 117.140 115.700 0.014 0.000 2.511 971 S HA 0.176 4.661 4.470 0.025 0.000 0.214 971 S C 0.132 174.820 174.600 0.146 0.000 0.997 971 S CA -0.019 58.275 58.200 0.157 0.000 0.908 971 S CB -0.140 63.312 63.200 0.420 0.000 0.803 971 S HN 0.719 nan 8.310 nan 0.000 0.504 972 H N 1.058 120.157 119.070 0.049 0.000 2.667 972 H HA 0.478 5.050 4.556 0.025 0.000 0.353 972 H C 0.956 176.269 175.328 -0.025 0.000 1.072 972 H CA -0.804 55.319 56.048 0.124 0.000 1.214 972 H CB 1.543 31.365 29.762 0.100 0.000 1.600 972 H HN 0.139 nan 8.280 nan 0.000 0.527 973 R N 2.198 122.811 120.500 0.189 0.000 2.159 973 R HA -0.192 4.163 4.340 0.025 0.000 0.237 973 R C 1.239 177.557 176.300 0.029 0.000 1.131 973 R CA 1.917 58.066 56.100 0.081 0.000 0.982 973 R CB -0.454 29.944 30.300 0.164 0.000 0.868 973 R HN 0.770 nan 8.270 nan 0.000 0.453 974 H N 1.105 120.195 119.070 0.033 0.000 2.521 974 H HA 0.005 4.576 4.556 0.025 0.000 0.286 974 H C 1.441 176.701 175.328 -0.114 0.000 1.034 974 H CA 0.896 56.920 56.048 -0.039 0.000 1.278 974 H CB -0.142 29.594 29.762 -0.042 0.000 1.386 974 H HN 0.335 nan 8.280 nan 0.000 0.567 975 L N 0.804 121.648 121.223 -0.632 0.000 2.592 975 L HA 0.219 4.574 4.340 0.025 0.000 0.227 975 L C 0.765 177.497 176.870 -0.231 0.000 1.127 975 L CA -0.177 54.376 54.840 -0.479 0.000 0.884 975 L CB 0.141 41.889 42.059 -0.519 0.000 1.065 975 L HN 0.038 nan 8.230 nan 0.000 0.457 976 L N 0.697 121.772 121.223 -0.247 0.000 2.452 976 L HA 0.144 4.500 4.340 0.025 0.000 0.267 976 L C 0.154 176.971 176.870 -0.088 0.000 1.188 976 L CA -0.058 54.601 54.840 -0.302 0.000 0.821 976 L CB 0.372 42.033 42.059 -0.664 0.000 1.102 976 L HN 0.213 nan 8.230 nan 0.000 0.470 977 H N 1.223 120.311 119.070 0.031 0.000 2.771 977 H HA 0.580 5.151 4.556 0.025 0.000 0.361 977 H C -0.905 174.564 175.328 0.235 0.000 1.108 977 H CA -1.239 54.876 56.048 0.111 0.000 1.201 977 H CB 1.308 31.088 29.762 0.030 0.000 1.681 977 H HN 0.670 nan 8.280 nan 0.000 0.534 978 A N 3.486 126.436 122.820 0.216 0.000 2.520 978 A HA 0.119 4.454 4.320 0.025 0.000 0.245 978 A C 0.356 178.002 177.584 0.103 0.000 1.072 978 A CA -0.197 51.815 52.037 -0.041 0.000 0.761 978 A CB 0.015 18.968 19.000 -0.078 0.000 1.004 978 A HN 0.830 nan 8.150 nan 0.000 0.499 979 E N 0.952 121.182 120.200 0.050 0.000 2.322 979 E HA 0.210 4.575 4.350 0.025 0.000 0.257 979 E C -0.105 176.539 176.600 0.072 0.000 1.155 979 E CA -0.701 55.801 56.400 0.169 0.000 0.936 979 E CB 0.773 30.654 29.700 0.302 0.000 1.130 979 E HN 0.793 nan 8.360 nan 0.000 0.465 980 E N 0.144 120.380 120.200 0.060 0.000 2.392 980 E HA 0.203 4.568 4.350 0.025 0.000 0.264 980 E C 0.339 176.893 176.600 -0.076 0.000 1.024 980 E CA 0.607 57.001 56.400 -0.010 0.000 0.903 980 E CB 0.441 30.132 29.700 -0.015 0.000 0.963 980 E HN 0.672 nan 8.360 nan 0.000 0.432 981 G N 2.655 111.412 108.800 -0.072 0.000 2.598 981 G HA2 -0.233 3.743 3.960 0.025 0.000 0.244 981 G HA3 -0.233 3.743 3.960 0.025 0.000 0.244 981 G C -0.632 174.198 174.900 -0.116 0.000 1.302 981 G CA -0.112 44.925 45.100 -0.104 0.000 0.903 981 G HN 0.625 nan 8.290 nan 0.000 0.575 982 T N 0.050 114.504 114.554 -0.166 0.000 2.928 982 T HA 0.493 4.858 4.350 0.025 0.000 0.296 982 T C -0.904 173.633 174.700 -0.271 0.000 1.000 982 T CA -0.220 61.796 62.100 -0.140 0.000 0.989 982 T CB 1.374 70.250 68.868 0.013 0.000 1.005 982 T HN 0.589 nan 8.240 nan 0.000 0.442 983 W N 3.277 124.486 121.300 -0.151 0.000 2.335 983 W HA 0.598 5.273 4.660 0.025 0.000 0.306 983 W C -0.270 176.120 176.519 -0.215 0.000 1.216 983 W CA -0.688 56.565 57.345 -0.155 0.000 1.237 983 W CB 0.696 30.076 29.460 -0.133 0.000 1.243 983 W HN 0.360 nan 8.180 nan 0.000 0.493 984 L N 5.746 126.958 121.223 -0.018 0.000 2.333 984 L HA 0.506 4.861 4.340 0.025 0.000 0.280 984 L C -0.939 175.835 176.870 -0.160 0.000 1.004 984 L CA -0.557 54.156 54.840 -0.212 0.000 0.820 984 L CB 0.760 42.554 42.059 -0.442 0.000 1.247 984 L HN 0.314 nan 8.230 nan 0.000 0.416 985 N N 7.045 125.642 118.700 -0.172 0.000 2.443 985 N HA 0.460 5.215 4.740 0.025 0.000 0.269 985 N C -1.171 174.201 175.510 -0.230 0.000 0.985 985 N CA -0.242 52.704 53.050 -0.173 0.000 0.921 985 N CB 2.202 40.613 38.487 -0.126 0.000 1.195 985 N HN 0.555 nan 8.380 nan 0.000 0.492 986 I N 1.944 122.332 120.570 -0.304 0.000 2.382 986 I HA 0.233 4.418 4.170 0.025 0.000 0.285 986 I C -0.635 175.298 176.117 -0.308 0.000 1.007 986 I CA -0.599 60.483 61.300 -0.363 0.000 1.142 986 I CB 1.461 39.076 38.000 -0.640 0.000 1.289 986 I HN 0.154 nan 8.210 nan 0.000 0.453 987 D N 4.654 124.909 120.400 -0.241 0.000 2.192 987 D HA 0.270 4.925 4.640 0.025 0.000 0.246 987 D C 1.011 177.017 176.300 -0.490 0.000 1.042 987 D CA -0.240 53.554 54.000 -0.343 0.000 0.847 987 D CB 2.546 43.245 40.800 -0.169 0.000 1.186 987 D HN 0.682 nan 8.370 nan 0.000 0.461 988 G N 1.198 109.408 108.800 -0.983 0.000 2.403 988 G HA2 -0.031 3.945 3.960 0.025 0.000 0.216 988 G HA3 -0.031 3.945 3.960 0.025 0.000 0.216 988 G C 0.105 174.250 174.900 -1.258 0.000 1.154 988 G CA 0.607 44.981 45.100 -1.209 0.000 0.784 988 G HN 0.377 nan 8.290 nan 0.000 0.538 989 F N -2.158 117.602 119.950 -0.316 0.000 2.601 989 F HA 0.625 5.167 4.527 0.025 0.000 0.309 989 F C -0.507 175.197 175.800 -0.160 0.000 1.089 989 F CA -1.165 56.727 58.000 -0.179 0.000 0.940 989 F CB 2.177 40.998 39.000 -0.298 0.000 1.273 989 F HN 0.047 nan 8.300 nan 0.000 0.450 990 H N 1.629 120.707 119.070 0.014 0.000 2.894 990 H HA 0.536 5.107 4.556 0.025 0.000 0.367 990 H C -0.895 174.460 175.328 0.045 0.000 1.144 990 H CA -0.876 55.155 56.048 -0.028 0.000 1.180 990 H CB 1.890 31.617 29.762 -0.058 0.000 1.758 990 H HN 0.777 nan 8.280 nan 0.000 0.541 991 M N 3.194 122.748 119.600 -0.077 0.000 2.226 991 M HA 0.325 4.820 4.480 0.025 0.000 0.324 991 M C 0.443 176.865 176.300 0.203 0.000 1.112 991 M CA 0.278 55.608 55.300 0.051 0.000 1.176 991 M CB 0.429 32.960 32.600 -0.115 0.000 1.430 991 M HN 0.822 nan 8.290 nan 0.000 0.462 992 G N 2.353 111.247 108.800 0.157 0.000 2.664 992 G HA2 0.293 4.268 3.960 0.025 0.000 0.242 992 G HA3 0.293 4.268 3.960 0.025 0.000 0.242 992 G C 0.559 175.442 174.900 -0.028 0.000 1.225 992 G CA -0.405 44.716 45.100 0.035 0.000 0.849 992 G HN 0.968 nan 8.290 nan 0.000 0.581 993 I N -1.500 119.003 120.570 -0.112 0.000 3.941 993 I HA 0.403 4.588 4.170 0.025 0.000 0.321 993 I C 1.219 177.262 176.117 -0.122 0.000 1.284 993 I CA 0.379 61.573 61.300 -0.176 0.000 1.226 993 I CB -0.580 37.207 38.000 -0.356 0.000 1.045 993 I HN 0.910 nan 8.210 nan 0.000 0.420 994 G N 1.744 110.499 108.800 -0.074 0.000 2.641 994 G HA2 -0.007 3.969 3.960 0.025 0.000 0.254 994 G HA3 -0.007 3.969 3.960 0.025 0.000 0.254 994 G C 0.578 175.469 174.900 -0.015 0.000 1.315 994 G CA 0.241 45.334 45.100 -0.012 0.000 0.907 994 G HN 1.357 nan 8.290 nan 0.000 0.572 995 G N -2.545 106.262 108.800 0.011 0.000 2.870 995 G HA2 0.025 4.000 3.960 0.025 0.000 0.216 995 G HA3 0.025 4.000 3.960 0.025 0.000 0.216 995 G C 0.637 175.590 174.900 0.087 0.000 0.973 995 G CA 0.963 46.078 45.100 0.025 0.000 0.807 995 G HN 0.912 nan 8.290 nan 0.000 0.573 996 D N 1.284 121.755 120.400 0.119 0.000 2.190 996 D HA 0.090 4.745 4.640 0.025 0.000 0.200 996 D C 1.034 177.362 176.300 0.047 0.000 0.992 996 D CA 2.099 56.229 54.000 0.216 0.000 0.854 996 D CB 0.158 41.092 40.800 0.223 0.000 0.936 996 D HN 0.793 nan 8.370 nan 0.000 0.462 997 D N -3.346 116.874 120.400 -0.300 0.000 2.643 997 D HA 0.330 4.986 4.640 0.025 0.000 0.283 997 D C -0.821 174.953 176.300 -0.876 0.000 1.242 997 D CA -0.739 52.647 54.000 -1.024 0.000 0.863 997 D CB 0.873 40.470 40.800 -2.005 0.000 1.382 997 D HN -0.306 nan 8.370 nan 0.000 0.444 998 S N -0.620 114.386 115.700 -1.157 0.000 2.624 998 S HA 0.263 4.749 4.470 0.025 0.000 0.246 998 S C -0.605 174.011 174.600 0.028 0.000 1.072 998 S CA -0.662 57.368 58.200 -0.284 0.000 1.045 998 S CB -0.554 62.704 63.200 0.096 0.000 0.851 998 S HN 0.630 nan 8.310 nan 0.000 0.480 999 W N 0.405 121.628 121.300 -0.129 0.000 2.121 999 W HA 0.458 5.133 4.660 0.024 0.000 0.275 999 W C -0.060 176.400 176.519 -0.097 0.000 0.903 999 W CA -0.314 56.960 57.345 -0.119 0.000 1.253 999 W CB -0.373 28.948 29.460 -0.231 0.000 1.016 999 W HN 0.179 nan 8.180 nan 0.000 0.537 1000 S N -0.170 115.409 115.700 -0.201 0.000 2.540 1000 S HA 0.620 5.105 4.470 0.025 0.000 0.275 1000 S C -2.932 171.607 174.600 -0.101 0.000 1.123 1000 S CA -1.758 56.386 58.200 -0.093 0.000 0.907 1000 S CB 1.912 65.095 63.200 -0.028 0.000 1.081 1000 S HN -0.250 nan 8.310 nan 0.000 0.476 1001 P HA 0.090 nan 4.420 nan 0.000 0.261 1001 P C 0.439 177.783 177.300 0.074 0.000 1.173 1001 P CA 0.174 63.292 63.100 0.032 0.000 0.760 1001 P CB 0.440 32.046 31.700 -0.156 0.000 0.783 1002 S N 0.496 116.279 115.700 0.138 0.000 2.780 1002 S HA 0.147 4.632 4.470 0.025 0.000 0.248 1002 S C 0.153 174.843 174.600 0.150 0.000 1.036 1002 S CA -0.338 57.919 58.200 0.094 0.000 1.061 1002 S CB -0.256 62.949 63.200 0.009 0.000 1.037 1002 S HN 0.117 nan 8.310 nan 0.000 0.584 1003 V N 2.825 122.878 119.914 0.231 0.000 2.427 1003 V HA 0.383 4.518 4.120 0.025 0.000 0.268 1003 V C 0.787 177.039 176.094 0.263 0.000 1.046 1003 V CA -0.292 62.129 62.300 0.203 0.000 0.970 1003 V CB 0.899 32.783 31.823 0.101 0.000 1.001 1003 V HN 0.505 nan 8.190 nan 0.000 0.476 1004 S N 3.993 119.858 115.700 0.275 0.000 2.573 1004 S HA 0.301 4.786 4.470 0.025 0.000 0.277 1004 S C 1.583 176.315 174.600 0.220 0.000 1.346 1004 S CA 0.084 58.429 58.200 0.241 0.000 1.034 1004 S CB 1.136 64.500 63.200 0.273 0.000 0.879 1004 S HN 0.996 nan 8.310 nan 0.000 0.528 1005 A N 3.392 126.300 122.820 0.147 0.000 1.958 1005 A HA -0.163 4.172 4.320 0.025 0.000 0.221 1005 A C 1.994 179.600 177.584 0.036 0.000 1.178 1005 A CA 1.931 54.040 52.037 0.120 0.000 0.642 1005 A CB -0.674 18.378 19.000 0.086 0.000 0.816 1005 A HN 0.950 nan 8.150 nan 0.000 0.453 1006 E N -0.811 119.339 120.200 -0.083 0.000 2.409 1006 E HA -0.130 4.235 4.350 0.025 0.000 0.198 1006 E C 0.728 177.055 176.600 -0.453 0.000 1.024 1006 E CA 0.805 57.028 56.400 -0.296 0.000 0.861 1006 E CB -0.501 28.934 29.700 -0.443 0.000 0.788 1006 E HN 0.693 nan 8.360 nan 0.000 0.521 1007 F N 0.956 120.961 119.950 0.091 0.000 2.661 1007 F HA 0.280 4.822 4.527 0.025 0.000 0.306 1007 F C 0.811 176.656 175.800 0.074 0.000 1.094 1007 F CA -0.551 57.503 58.000 0.091 0.000 1.254 1007 F CB 0.570 39.622 39.000 0.087 0.000 1.040 1007 F HN -0.195 nan 8.300 nan 0.000 0.562 1008 Q N 1.190 121.100 119.800 0.183 0.000 2.230 1008 Q HA 0.411 4.766 4.340 0.025 0.000 0.248 1008 Q C -0.181 175.871 176.000 0.086 0.000 0.915 1008 Q CA -0.482 55.417 55.803 0.160 0.000 0.900 1008 Q CB 1.829 30.752 28.738 0.308 0.000 1.229 1008 Q HN 0.251 nan 8.270 nan 0.000 0.439 1009 L N 2.449 123.714 121.223 0.069 0.000 2.422 1009 L HA 0.128 4.483 4.340 0.025 0.000 0.256 1009 L C 0.589 177.447 176.870 -0.020 0.000 1.202 1009 L CA -0.057 54.808 54.840 0.042 0.000 1.119 1009 L CB -0.294 41.681 42.059 -0.139 0.000 1.383 1009 L HN 0.692 nan 8.230 nan 0.000 0.411 1010 S N -1.224 114.350 115.700 -0.209 0.000 2.554 1010 S HA 0.144 4.630 4.470 0.025 0.000 0.226 1010 S C 1.629 176.129 174.600 -0.166 0.000 0.980 1010 S CA 0.177 58.026 58.200 -0.584 0.000 0.939 1010 S CB 0.727 63.440 63.200 -0.810 0.000 0.832 1010 S HN 0.501 nan 8.310 nan 0.000 0.486 1011 A N 1.414 124.186 122.820 -0.081 0.000 2.121 1011 A HA 0.436 4.772 4.320 0.025 0.000 0.218 1011 A C 2.109 179.541 177.584 -0.253 0.000 1.154 1011 A CA 1.212 53.073 52.037 -0.293 0.000 0.679 1011 A CB -1.294 17.281 19.000 -0.708 0.000 0.795 1011 A HN 1.475 nan 8.150 nan 0.000 0.458 1012 G N -1.399 107.359 108.800 -0.070 0.000 2.708 1012 G HA2 -0.313 3.663 3.960 0.025 0.000 0.229 1012 G HA3 -0.313 3.663 3.960 0.025 0.000 0.229 1012 G C 0.473 175.364 174.900 -0.015 0.000 1.236 1012 G CA 0.564 45.668 45.100 0.007 0.000 0.749 1012 G HN 0.691 nan 8.290 nan 0.000 0.515 1013 R N -0.384 119.983 120.500 -0.221 0.000 2.513 1013 R HA 0.699 5.055 4.340 0.025 0.000 0.301 1013 R C -1.504 174.536 176.300 -0.433 0.000 0.968 1013 R CA -0.516 55.492 56.100 -0.153 0.000 0.872 1013 R CB 1.340 31.587 30.300 -0.089 0.000 1.177 1013 R HN 0.283 nan 8.270 nan 0.000 0.444 1014 Y N 0.696 120.980 120.300 -0.027 0.000 2.462 1014 Y HA 0.363 4.928 4.550 0.025 0.000 0.346 1014 Y C -0.402 175.624 175.900 0.210 0.000 0.976 1014 Y CA -0.772 57.271 58.100 -0.095 0.000 1.044 1014 Y CB 2.111 40.392 38.460 -0.299 0.000 1.230 1014 Y HN 0.575 nan 8.280 nan 0.000 0.455 1015 H N 2.945 122.262 119.070 0.411 0.000 2.717 1015 H HA 0.612 5.183 4.556 0.025 0.000 0.366 1015 H C -1.698 174.016 175.328 0.645 0.000 1.132 1015 H CA -0.912 55.378 56.048 0.404 0.000 1.180 1015 H CB 1.221 31.121 29.762 0.231 0.000 1.678 1015 H HN 0.579 nan 8.280 nan 0.000 0.537 1016 Y N 1.145 121.292 120.300 -0.256 0.000 2.638 1016 Y HA 0.535 5.100 4.550 0.025 0.000 0.335 1016 Y C -1.789 173.940 175.900 -0.284 0.000 1.155 1016 Y CA -1.054 56.971 58.100 -0.125 0.000 1.046 1016 Y CB 1.588 40.060 38.460 0.020 0.000 1.303 1016 Y HN 0.587 nan 8.280 nan 0.000 0.460 1017 Q N 2.277 122.100 119.800 0.039 0.000 2.315 1017 Q HA 0.609 4.965 4.340 0.025 0.000 0.273 1017 Q C -2.062 174.031 176.000 0.156 0.000 1.053 1017 Q CA -0.738 55.068 55.803 0.005 0.000 0.817 1017 Q CB 3.023 31.806 28.738 0.074 0.000 1.326 1017 Q HN 0.928 nan 8.270 nan 0.000 0.423 1018 L N 1.876 123.172 121.223 0.122 0.000 2.401 1018 L HA 0.673 5.028 4.340 0.025 0.000 0.266 1018 L C -0.710 176.277 176.870 0.194 0.000 0.991 1018 L CA -1.015 53.930 54.840 0.174 0.000 0.818 1018 L CB 2.393 44.534 42.059 0.136 0.000 1.321 1018 L HN 0.259 nan 8.230 nan 0.000 0.413 1019 V N 1.374 121.429 119.914 0.235 0.000 2.448 1019 V HA 0.397 4.532 4.120 0.025 0.000 0.295 1019 V C -1.152 175.123 176.094 0.302 0.000 1.025 1019 V CA -0.435 62.010 62.300 0.243 0.000 0.859 1019 V CB 2.010 33.949 31.823 0.194 0.000 0.988 1019 V HN 0.601 nan 8.190 nan 0.000 0.431 1020 W N 6.930 128.302 121.300 0.120 0.000 2.475 1020 W HA 0.703 5.379 4.660 0.026 0.000 0.317 1020 W C -0.187 176.341 176.519 0.014 0.000 1.046 1020 W CA -1.061 56.277 57.345 -0.011 0.000 1.215 1020 W CB 1.470 30.980 29.460 0.084 0.000 1.335 1020 W HN 0.874 nan 8.180 nan 0.000 0.471 1021 C N 3.589 123.120 119.300 0.385 0.000 3.321 1021 C HA 0.636 5.112 4.460 0.025 0.000 0.363 1021 C C -0.318 174.782 174.990 0.183 0.000 1.705 1021 C CA -0.771 58.405 59.018 0.263 0.000 1.298 1021 C CB 1.625 29.470 27.740 0.175 0.000 2.086 1021 C HN 0.682 nan 8.230 nan 0.000 0.438 1022 Q N 0.711 120.568 119.800 0.094 0.000 2.169 1022 Q HA 0.503 4.858 4.340 0.025 0.000 0.234 1022 Q C -0.418 175.571 176.000 -0.018 0.000 0.980 1022 Q CA -0.435 55.370 55.803 0.003 0.000 0.941 1022 Q CB 1.333 30.063 28.738 -0.013 0.000 1.199 1022 Q HN 0.633 nan 8.270 nan 0.000 0.496 1023 K N 0.000 120.364 120.400 -0.060 0.000 2.780 1023 K HA 0.000 4.335 4.320 0.025 0.000 0.191 1023 K CA 0.000 56.263 56.287 -0.040 0.000 0.838 1023 K CB 0.000 32.466 32.500 -0.057 0.000 1.064 1023 K HN 0.000 nan 8.250 nan 0.000 0.543