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 1jz6_1_B DATA FIRST_RESID 13 DATA SEQUENCE RRDWENPGVT QLNRLAAHPP FASWRNSEEA RTDRPSQQLR SLNGEWRFAW DATA SEQUENCE FPAPEAVPES WLECDLPEAD TVVVPSNWQM HGYDAPIYTN VTYPITVNPP DATA SEQUENCE FVPTENPTGC YSLTFNVDES WLQEGQTRII FDGVNSAFHL WCNGRWVGYG DATA SEQUENCE QDSRLPSEFD LSAFLRAGEN RLAVMVLRWS DGSYLEDQDM WRMSGIFRDV DATA SEQUENCE SLLHKPTTQI SDFHVATRFN DDFSRAVLEA EVQMCGELRD YLRVTVSLWQ DATA SEQUENCE GETQVASGTA PFGGEIIDER GGYADRVTLR LNVENPKLWS AEIPNLYRAV DATA SEQUENCE VELHTADGTL IEAEACDVGF REVRIENGLL LLNGKPLLIR GVNRHEHHPL DATA SEQUENCE HGQVMDEQTM VQDILLMKQN NFNAVRCSHY PNHPLWYTLC DRYGLYVVDE DATA SEQUENCE ANIETHGMVP MNRLTDDPRW LPAMSERVTR MVQRDRNHPS VIIWSLGNES DATA SEQUENCE GHGANHDALY RWIKSVDPSR PVQYEGGGAD TTATDIICPM YARVDEDQPF DATA SEQUENCE PAVPKWSIKK WLSLPGETRP LILCEYAHAM GNSLGGFAKY WQAFRQYPRL DATA SEQUENCE QGGFVWDWVD QSLIKYDENG NPWSAYGGDF GDTPNDRQFC MNGLVFADRT DATA SEQUENCE PHPALTEAKH QQQFFQFRLS GQTIEVTSEY LFRHSDNELL HWMVALDGKP DATA SEQUENCE LASGEVPLDV APQGKQLIEL PELPQPESAG QLWLTVRVVQ PNATAWSEAG DATA SEQUENCE HISAWQQWRL AENLSVTLPA ASHAIPHLTT SEMDFCIELG NKRWQFNRQS DATA SEQUENCE GFLSQMWIGD KKQLLTPLRD QFTRAPLDND IGVSEATRID PNAWVERWKA DATA SEQUENCE AGHYQAEAAL LQCTADTLAD AVLITTAHAW QHQGKTLFIS RKTYRIDGSG DATA SEQUENCE QMAITVDVEV ASDTPHPARI GLNCQLAQVA ERVNWLGLGP QENYPDRLTA DATA SEQUENCE ACFDRWDLPL SDMYTPYVFP SENGLRCGTR ELNYGPHQWR GDFQFNISRY DATA SEQUENCE SQQQLMETSH RHLLHAEEGT WLNIDGFHMG IGGDDSWSPS VSAEFQLSAG DATA SEQUENCE RYHYQLVWCQ K VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 13 R HA 0.000 nan 4.340 nan 0.000 0.208 13 R C 0.000 176.101 176.300 -0.331 0.000 0.893 13 R CA 0.000 55.978 56.100 -0.203 0.000 0.921 13 R CB 0.000 30.184 30.300 -0.193 0.000 0.687 14 R N 1.751 121.939 120.500 -0.521 0.000 3.225 14 R HA -0.168 4.184 4.340 0.020 0.000 0.245 14 R C -0.480 175.296 176.300 -0.872 0.000 0.928 14 R CA 0.807 56.081 56.100 -1.376 0.000 0.632 14 R CB -1.281 28.289 30.300 -1.216 0.000 1.038 14 R HN 0.330 nan 8.270 nan 0.000 0.461 15 D N -0.193 119.959 120.400 -0.413 0.000 2.311 15 D HA -0.182 4.470 4.640 0.020 0.000 0.212 15 D C 1.575 177.831 176.300 -0.073 0.000 0.972 15 D CA 1.634 55.445 54.000 -0.316 0.000 0.887 15 D CB -0.110 40.307 40.800 -0.637 0.000 0.915 15 D HN 0.734 nan 8.370 nan 0.000 0.497 16 W N 1.248 122.555 121.300 0.012 0.000 3.077 16 W HA 0.167 4.839 4.660 0.020 0.000 0.245 16 W C 0.402 177.004 176.519 0.139 0.000 1.316 16 W CA -0.239 57.213 57.345 0.178 0.000 1.537 16 W CB -0.169 29.442 29.460 0.251 0.000 1.131 16 W HN -0.203 nan 8.180 nan 0.000 0.695 17 E N 1.305 121.391 120.200 -0.190 0.000 3.858 17 E HA 0.063 4.425 4.350 0.020 0.000 0.208 17 E C -0.915 175.545 176.600 -0.233 0.000 1.041 17 E CA -0.264 56.039 56.400 -0.163 0.000 1.368 17 E CB -0.194 29.385 29.700 -0.201 0.000 1.176 17 E HN 0.044 nan 8.360 nan 0.000 0.448 18 N N 0.847 119.452 118.700 -0.158 0.000 2.616 18 N HA 0.147 4.899 4.740 0.020 0.000 0.281 18 N C -2.520 172.864 175.510 -0.211 0.000 1.145 18 N CA -1.851 51.067 53.050 -0.220 0.000 0.919 18 N CB 1.573 39.938 38.487 -0.203 0.000 1.509 18 N HN -0.176 nan 8.380 nan 0.000 0.537 19 P HA 0.148 nan 4.420 nan 0.000 0.237 19 P C 1.043 178.113 177.300 -0.384 0.000 1.178 19 P CA 0.474 63.263 63.100 -0.518 0.000 0.766 19 P CB 0.174 31.089 31.700 -1.308 0.000 0.876 20 G N -0.314 108.308 108.800 -0.296 0.000 2.623 20 G HA2 0.039 4.011 3.960 0.020 0.000 0.214 20 G HA3 0.039 4.011 3.960 0.020 0.000 0.214 20 G C 0.294 175.119 174.900 -0.125 0.000 1.138 20 G CA 0.202 45.177 45.100 -0.208 0.000 0.794 20 G HN 0.189 nan 8.290 nan 0.000 0.535 21 V N 1.899 121.755 119.914 -0.096 0.000 2.313 21 V HA 0.308 4.440 4.120 0.020 0.000 0.278 21 V C 0.909 177.058 176.094 0.093 0.000 1.017 21 V CA 0.195 62.489 62.300 -0.010 0.000 0.823 21 V CB 1.058 32.859 31.823 -0.036 0.000 1.010 21 V HN 0.329 nan 8.190 nan 0.000 0.443 22 T N 0.783 115.389 114.554 0.086 0.000 3.023 22 T HA 0.368 4.730 4.350 0.020 0.000 0.253 22 T C 0.279 175.031 174.700 0.086 0.000 1.038 22 T CA 0.108 62.261 62.100 0.088 0.000 0.962 22 T CB 0.310 69.183 68.868 0.009 0.000 1.018 22 T HN 0.710 nan 8.240 nan 0.000 0.521 23 Q N 0.108 120.013 119.800 0.174 0.000 2.829 23 Q HA 0.672 5.024 4.340 0.020 0.000 0.296 23 Q C -2.328 173.824 176.000 0.254 0.000 0.893 23 Q CA -1.081 54.823 55.803 0.169 0.000 0.772 23 Q CB 0.775 29.527 28.738 0.023 0.000 1.489 23 Q HN 0.199 nan 8.270 nan 0.000 0.420 24 L N 1.613 123.010 121.223 0.290 0.000 2.516 24 L HA 0.590 4.942 4.340 0.020 0.000 0.267 24 L C -0.656 176.345 176.870 0.218 0.000 0.957 24 L CA -0.788 54.218 54.840 0.276 0.000 0.860 24 L CB 1.957 44.288 42.059 0.452 0.000 1.265 24 L HN 0.849 nan 8.230 nan 0.000 0.403 25 N N 1.026 119.822 118.700 0.160 0.000 2.741 25 N HA -0.214 4.538 4.740 0.020 0.000 0.251 25 N C 0.172 175.767 175.510 0.142 0.000 1.112 25 N CA 0.790 53.922 53.050 0.136 0.000 0.750 25 N CB -0.699 37.827 38.487 0.066 0.000 1.119 25 N HN 0.652 nan 8.380 nan 0.000 0.561 26 R N 1.174 121.681 120.500 0.012 0.000 2.340 26 R HA 0.371 4.723 4.340 0.020 0.000 0.300 26 R C 0.569 176.716 176.300 -0.254 0.000 1.069 26 R CA -0.353 55.514 56.100 -0.389 0.000 0.984 26 R CB 0.517 30.601 30.300 -0.360 0.000 1.003 26 R HN 0.116 nan 8.270 nan 0.000 0.459 27 L N 3.106 124.156 121.223 -0.289 0.000 2.472 27 L HA 0.291 4.643 4.340 0.020 0.000 0.260 27 L C 0.765 177.576 176.870 -0.099 0.000 1.209 27 L CA -0.504 54.263 54.840 -0.122 0.000 0.817 27 L CB 0.517 42.538 42.059 -0.065 0.000 1.106 27 L HN 0.731 nan 8.230 nan 0.000 0.479 28 A N 1.013 123.817 122.820 -0.026 0.000 2.425 28 A HA 0.534 4.866 4.320 0.020 0.000 0.242 28 A C 0.302 177.877 177.584 -0.016 0.000 1.077 28 A CA -0.030 51.997 52.037 -0.018 0.000 0.781 28 A CB 0.204 19.223 19.000 0.031 0.000 1.020 28 A HN 0.798 nan 8.150 nan 0.000 0.494 29 A N 1.162 123.922 122.820 -0.100 0.000 2.366 29 A HA 0.662 4.994 4.320 0.020 0.000 0.249 29 A C 0.127 177.596 177.584 -0.191 0.000 1.084 29 A CA 0.570 52.461 52.037 -0.244 0.000 0.794 29 A CB -0.111 18.758 19.000 -0.218 0.000 1.034 29 A HN 1.932 nan 8.150 nan 0.000 0.491 30 H N -2.561 116.369 119.070 -0.233 0.000 2.935 30 H HA 0.613 5.180 4.556 0.020 0.000 0.297 30 H C -3.420 171.627 175.328 -0.468 0.000 1.423 30 H CA -1.794 54.058 56.048 -0.327 0.000 1.161 30 H CB -0.022 29.466 29.762 -0.457 0.000 1.841 30 H HN 0.374 nan 8.280 nan 0.000 0.506 31 P HA 0.212 nan 4.420 nan 0.000 0.274 31 P C -2.581 174.550 177.300 -0.282 0.000 1.246 31 P CA -1.384 61.531 63.100 -0.308 0.000 0.795 31 P CB -0.268 31.193 31.700 -0.398 0.000 1.006 32 P HA 0.031 nan 4.420 nan 0.000 0.261 32 P C -0.761 176.704 177.300 0.275 0.000 1.183 32 P CA 1.151 64.279 63.100 0.048 0.000 0.761 32 P CB -0.119 31.662 31.700 0.135 0.000 0.785 33 F N 1.175 121.230 119.950 0.175 0.000 2.618 33 F HA 0.649 5.188 4.527 0.020 0.000 0.332 33 F C 1.014 176.757 175.800 -0.095 0.000 1.061 33 F CA -1.082 56.963 58.000 0.074 0.000 0.974 33 F CB 2.077 41.058 39.000 -0.031 0.000 1.310 33 F HN 0.199 nan 8.300 nan 0.000 0.491 34 A N -0.121 122.667 122.820 -0.053 0.000 2.710 34 A HA 0.259 4.591 4.320 0.020 0.000 0.212 34 A C 0.542 177.837 177.584 -0.481 0.000 1.358 34 A CA 0.478 52.225 52.037 -0.484 0.000 1.048 34 A CB -0.167 18.051 19.000 -1.303 0.000 1.345 34 A HN 0.769 nan 8.150 nan 0.000 0.583 35 S N 0.446 115.997 115.700 -0.249 0.000 3.550 35 S HA -0.150 4.332 4.470 0.020 0.000 0.372 35 S C 0.051 174.600 174.600 -0.085 0.000 0.966 35 S CA 0.564 58.667 58.200 -0.161 0.000 1.229 35 S CB -1.602 61.499 63.200 -0.165 0.000 0.917 35 S HN 0.494 nan 8.310 nan 0.000 0.496 36 W N 1.300 122.578 121.300 -0.037 0.000 2.158 36 W HA 0.248 4.920 4.660 0.019 0.000 0.339 36 W C 1.349 177.844 176.519 -0.041 0.000 1.294 36 W CA -0.642 56.686 57.345 -0.028 0.000 1.231 36 W CB 0.235 29.682 29.460 -0.021 0.000 1.143 36 W HN 0.296 nan 8.180 nan 0.000 0.571 37 R N 1.613 122.245 120.500 0.221 0.000 2.509 37 R HA 0.083 4.435 4.340 0.020 0.000 0.300 37 R C -0.051 176.305 176.300 0.093 0.000 0.985 37 R CA -0.102 56.065 56.100 0.111 0.000 1.092 37 R CB -0.233 30.099 30.300 0.053 0.000 1.237 37 R HN 0.384 nan 8.270 nan 0.000 0.546 38 N N 0.158 118.925 118.700 0.113 0.000 2.430 38 N HA 0.118 4.870 4.740 0.020 0.000 0.290 38 N C -0.079 175.390 175.510 -0.068 0.000 1.063 38 N CA -0.006 53.056 53.050 0.020 0.000 0.883 38 N CB 1.832 40.331 38.487 0.021 0.000 1.465 38 N HN -0.256 nan 8.380 nan 0.000 0.493 39 S N 2.170 117.808 115.700 -0.103 0.000 2.370 39 S HA -0.117 4.365 4.470 0.020 0.000 0.226 39 S C 1.404 175.826 174.600 -0.297 0.000 1.033 39 S CA 0.872 58.967 58.200 -0.176 0.000 1.011 39 S CB 0.004 63.127 63.200 -0.128 0.000 0.852 39 S HN 0.613 nan 8.310 nan 0.000 0.457 40 E N 1.089 121.134 120.200 -0.258 0.000 2.110 40 E HA -0.121 4.241 4.350 0.020 0.000 0.193 40 E C 2.068 178.453 176.600 -0.358 0.000 0.988 40 E CA 0.837 57.054 56.400 -0.304 0.000 0.804 40 E CB -0.200 29.373 29.700 -0.212 0.000 0.745 40 E HN 0.430 nan 8.360 nan 0.000 0.458 41 E N 0.163 120.152 120.200 -0.352 0.000 2.204 41 E HA -0.112 4.250 4.350 0.020 0.000 0.194 41 E C 1.875 177.889 176.600 -0.977 0.000 0.989 41 E CA 0.837 56.987 56.400 -0.416 0.000 0.824 41 E CB -0.185 29.452 29.700 -0.106 0.000 0.756 41 E HN 0.218 nan 8.360 nan 0.000 0.477 42 A N 1.417 123.501 122.820 -1.225 0.000 1.855 42 A HA -0.164 4.168 4.320 0.020 0.000 0.215 42 A C 2.249 179.305 177.584 -0.880 0.000 1.191 42 A CA 1.540 52.622 52.037 -1.592 0.000 0.613 42 A CB -0.480 17.983 19.000 -0.895 0.000 0.829 42 A HN 0.119 nan 8.150 nan 0.000 0.442 43 R N -0.338 119.814 120.500 -0.580 0.000 2.081 43 R HA -0.132 4.220 4.340 0.020 0.000 0.235 43 R C 2.020 178.111 176.300 -0.349 0.000 1.131 43 R CA 2.045 57.879 56.100 -0.444 0.000 0.960 43 R CB -0.417 29.524 30.300 -0.597 0.000 0.856 43 R HN 0.659 nan 8.270 nan 0.000 0.436 44 T N -2.603 111.742 114.554 -0.348 0.000 3.129 44 T HA 0.013 4.375 4.350 0.020 0.000 0.251 44 T C 0.322 174.951 174.700 -0.119 0.000 1.117 44 T CA 0.533 62.511 62.100 -0.204 0.000 1.034 44 T CB 0.065 68.832 68.868 -0.167 0.000 0.968 44 T HN 0.341 nan 8.240 nan 0.000 0.526 45 D N 0.694 120.983 120.400 -0.184 0.000 2.800 45 D HA -0.158 4.494 4.640 0.020 0.000 0.232 45 D C 0.079 176.507 176.300 0.214 0.000 1.137 45 D CA 0.460 54.482 54.000 0.037 0.000 0.718 45 D CB -1.272 39.601 40.800 0.121 0.000 1.084 45 D HN 0.601 nan 8.370 nan 0.000 0.432 46 R N 0.013 120.611 120.500 0.164 0.000 2.541 46 R HA 0.571 4.923 4.340 0.020 0.000 0.263 46 R C -2.036 174.580 176.300 0.528 0.000 1.112 46 R CA -1.409 54.849 56.100 0.263 0.000 1.170 46 R CB 0.317 30.709 30.300 0.154 0.000 1.167 46 R HN 0.046 nan 8.270 nan 0.000 0.582 47 P HA -0.043 nan 4.420 nan 0.000 0.269 47 P C -0.938 176.502 177.300 0.233 0.000 1.217 47 P CA 0.108 63.345 63.100 0.228 0.000 0.783 47 P CB 0.729 32.512 31.700 0.138 0.000 0.898 48 S N 0.880 116.565 115.700 -0.024 0.000 2.500 48 S HA 0.202 4.684 4.470 0.020 0.000 0.301 48 S C 0.668 175.248 174.600 -0.035 0.000 1.092 48 S CA -0.536 57.576 58.200 -0.146 0.000 1.030 48 S CB 0.913 63.659 63.200 -0.756 0.000 1.031 48 S HN 0.131 nan 8.310 nan 0.000 0.483 49 Q N 2.400 122.221 119.800 0.036 0.000 2.500 49 Q HA 0.064 4.416 4.340 0.020 0.000 0.213 49 Q C 0.855 176.923 176.000 0.113 0.000 0.974 49 Q CA 1.048 56.907 55.803 0.093 0.000 0.918 49 Q CB -0.237 28.564 28.738 0.105 0.000 0.980 49 Q HN 0.702 nan 8.270 nan 0.000 0.505 50 Q N -0.695 119.086 119.800 -0.031 0.000 2.319 50 Q HA 0.172 4.524 4.340 0.020 0.000 0.202 50 Q C -0.451 175.539 176.000 -0.017 0.000 0.896 50 Q CA 0.034 55.758 55.803 -0.131 0.000 0.942 50 Q CB 0.572 29.170 28.738 -0.233 0.000 1.083 50 Q HN 0.068 nan 8.270 nan 0.000 0.510 51 L N 0.945 122.186 121.223 0.030 0.000 2.345 51 L HA 0.460 4.812 4.340 0.020 0.000 0.274 51 L C -1.155 175.790 176.870 0.125 0.000 0.999 51 L CA -0.424 54.448 54.840 0.053 0.000 0.849 51 L CB 0.962 42.968 42.059 -0.087 0.000 1.220 51 L HN -0.091 nan 8.230 nan 0.000 0.422 52 R N 2.457 123.074 120.500 0.196 0.000 2.604 52 R HA 0.627 4.979 4.340 0.020 0.000 0.287 52 R C -0.465 175.855 176.300 0.034 0.000 0.970 52 R CA -0.708 55.456 56.100 0.108 0.000 0.946 52 R CB 1.903 32.236 30.300 0.055 0.000 1.127 52 R HN 0.649 nan 8.270 nan 0.000 0.473 53 S N 1.896 117.605 115.700 0.015 0.000 2.525 53 S HA 0.279 4.761 4.470 0.020 0.000 0.278 53 S C 0.413 175.003 174.600 -0.017 0.000 1.234 53 S CA -0.667 57.530 58.200 -0.005 0.000 1.058 53 S CB 0.513 63.721 63.200 0.014 0.000 0.983 53 S HN 0.569 nan 8.310 nan 0.000 0.495 54 L N 3.819 125.029 121.223 -0.021 0.000 2.872 54 L HA 0.324 4.676 4.340 0.020 0.000 0.245 54 L C 0.199 177.201 176.870 0.220 0.000 1.211 54 L CA -0.397 54.453 54.840 0.018 0.000 1.013 54 L CB -0.218 41.804 42.059 -0.061 0.000 1.326 54 L HN 0.528 nan 8.230 nan 0.000 0.525 55 N N 1.057 119.831 118.700 0.124 0.000 2.482 55 N HA 0.486 5.238 4.740 0.020 0.000 0.260 55 N C 0.698 176.325 175.510 0.195 0.000 1.236 55 N CA 1.060 54.190 53.050 0.134 0.000 0.938 55 N CB 1.332 39.841 38.487 0.037 0.000 1.128 55 N HN 0.308 nan 8.380 nan 0.000 0.448 56 G N 0.531 109.463 108.800 0.220 0.000 2.217 56 G HA2 -0.132 3.840 3.960 0.020 0.000 0.173 56 G HA3 -0.132 3.840 3.960 0.020 0.000 0.173 56 G C -1.339 173.781 174.900 0.366 0.000 1.324 56 G CA -0.781 44.452 45.100 0.222 0.000 1.225 56 G HN 0.493 nan 8.290 nan 0.000 0.494 57 E N 0.512 120.897 120.200 0.309 0.000 2.220 57 E HA 0.396 4.758 4.350 0.020 0.000 0.272 57 E C -0.890 175.950 176.600 0.400 0.000 1.099 57 E CA 0.140 56.725 56.400 0.308 0.000 0.907 57 E CB 0.497 30.295 29.700 0.164 0.000 1.022 57 E HN 0.335 nan 8.360 nan 0.000 0.428 58 W N 1.873 123.268 121.300 0.158 0.000 2.894 58 W HA 0.395 5.067 4.660 0.020 0.000 0.345 58 W C 0.098 176.756 176.519 0.231 0.000 1.152 58 W CA -0.780 56.692 57.345 0.212 0.000 1.089 58 W CB 0.800 30.442 29.460 0.304 0.000 1.454 58 W HN 0.182 nan 8.180 nan 0.000 0.589 59 R N 1.555 122.341 120.500 0.476 0.000 2.428 59 R HA 0.604 4.955 4.340 0.020 0.000 0.294 59 R C -1.464 175.108 176.300 0.454 0.000 1.000 59 R CA -0.826 55.497 56.100 0.372 0.000 0.960 59 R CB 1.106 31.567 30.300 0.268 0.000 1.076 59 R HN 0.492 nan 8.270 nan 0.000 0.475 60 F N 0.429 120.443 119.950 0.106 0.000 2.588 60 F HA 0.583 5.122 4.527 0.020 0.000 0.314 60 F C -1.587 174.096 175.800 -0.195 0.000 1.134 60 F CA -0.566 57.362 58.000 -0.122 0.000 0.961 60 F CB 1.882 40.694 39.000 -0.315 0.000 1.239 60 F HN 0.637 nan 8.300 nan 0.000 0.448 61 A N 4.696 126.932 122.820 -0.973 0.000 2.414 61 A HA 0.613 4.945 4.320 0.020 0.000 0.306 61 A C -2.324 174.337 177.584 -1.538 0.000 1.054 61 A CA -0.558 50.919 52.037 -0.934 0.000 0.724 61 A CB 0.842 19.557 19.000 -0.474 0.000 1.267 61 A HN 0.936 nan 8.150 nan 0.000 0.418 62 W N 2.372 122.758 121.300 -1.523 0.000 2.496 62 W HA 0.738 5.410 4.660 0.020 0.000 0.327 62 W C -1.730 174.140 176.519 -1.081 0.000 1.086 62 W CA -0.173 56.395 57.345 -1.294 0.000 1.222 62 W CB 1.099 29.999 29.460 -0.933 0.000 1.304 62 W HN 0.506 nan 8.180 nan 0.000 0.547 63 F N 5.359 124.531 119.950 -1.296 0.000 2.613 63 F HA 0.378 4.917 4.527 0.020 0.000 0.314 63 F C -1.569 173.320 175.800 -1.517 0.000 1.075 63 F CA -2.209 55.190 58.000 -1.002 0.000 0.945 63 F CB 1.695 40.296 39.000 -0.665 0.000 1.310 63 F HN 0.148 nan 8.300 nan 0.000 0.467 64 P HA 0.239 nan 4.420 nan 0.000 0.239 64 P C -0.617 176.595 177.300 -0.146 0.000 1.188 64 P CA 0.548 63.456 63.100 -0.320 0.000 0.794 64 P CB 0.875 32.603 31.700 0.047 0.000 0.937 65 A N -0.511 122.220 122.820 -0.149 0.000 2.594 65 A HA 0.510 4.842 4.320 0.020 0.000 0.296 65 A C -2.432 175.049 177.584 -0.171 0.000 1.056 65 A CA -0.981 51.001 52.037 -0.092 0.000 0.693 65 A CB 0.407 19.417 19.000 0.017 0.000 1.278 65 A HN -0.293 nan 8.150 nan 0.000 0.408 66 P HA -0.146 nan 4.420 nan 0.000 0.218 66 P C 0.699 177.891 177.300 -0.179 0.000 1.148 66 P CA 1.594 64.553 63.100 -0.234 0.000 0.822 66 P CB 0.218 31.786 31.700 -0.221 0.000 0.784 67 E N -0.180 119.981 120.200 -0.064 0.000 2.409 67 E HA -0.000 4.362 4.350 0.020 0.000 0.198 67 E C 1.794 178.333 176.600 -0.102 0.000 1.024 67 E CA 0.932 57.308 56.400 -0.041 0.000 0.861 67 E CB -0.664 29.053 29.700 0.029 0.000 0.788 67 E HN 0.249 nan 8.360 nan 0.000 0.521 68 A N 0.374 123.096 122.820 -0.164 0.000 2.345 68 A HA 0.155 4.487 4.320 0.020 0.000 0.225 68 A C 0.504 177.866 177.584 -0.370 0.000 1.243 68 A CA -0.285 51.668 52.037 -0.139 0.000 0.875 68 A CB 0.403 19.422 19.000 0.032 0.000 0.929 68 A HN 0.043 nan 8.150 nan 0.000 0.502 69 V N 3.398 122.978 119.914 -0.557 0.000 2.415 69 V HA 0.148 4.280 4.120 0.020 0.000 0.267 69 V C -2.142 173.687 176.094 -0.441 0.000 1.042 69 V CA -1.452 60.339 62.300 -0.848 0.000 1.000 69 V CB 0.628 31.900 31.823 -0.918 0.000 1.015 69 V HN 0.317 nan 8.190 nan 0.000 0.478 70 P HA 0.005 nan 4.420 nan 0.000 0.255 70 P C 0.365 177.608 177.300 -0.095 0.000 1.173 70 P CA 0.196 63.221 63.100 -0.125 0.000 0.780 70 P CB 0.410 32.097 31.700 -0.020 0.000 0.758 71 E N 1.207 121.357 120.200 -0.084 0.000 2.463 71 E HA -0.149 4.213 4.350 0.020 0.000 0.201 71 E C 1.612 178.177 176.600 -0.058 0.000 1.045 71 E CA 1.144 57.496 56.400 -0.081 0.000 0.872 71 E CB -0.465 29.185 29.700 -0.083 0.000 0.797 71 E HN 0.487 nan 8.360 nan 0.000 0.538 72 S N -0.130 115.560 115.700 -0.017 0.000 2.406 72 S HA -0.179 4.303 4.470 0.020 0.000 0.228 72 S C 1.606 176.217 174.600 0.020 0.000 1.020 72 S CA 0.469 58.667 58.200 -0.004 0.000 0.965 72 S CB -0.691 62.518 63.200 0.014 0.000 0.798 72 S HN 0.585 nan 8.310 nan 0.000 0.488 73 W N 3.052 124.256 121.300 -0.159 0.000 2.292 73 W HA -0.198 4.474 4.660 0.020 0.000 0.304 73 W C 1.537 177.944 176.519 -0.185 0.000 1.228 73 W CA 1.169 58.420 57.345 -0.156 0.000 1.241 73 W CB -0.645 28.689 29.460 -0.210 0.000 1.142 73 W HN 0.223 nan 8.180 nan 0.000 0.520 74 L N 0.175 121.229 121.223 -0.283 0.000 1.978 74 L HA -0.290 4.062 4.340 0.020 0.000 0.218 74 L C 2.622 179.277 176.870 -0.358 0.000 1.075 74 L CA 2.122 56.645 54.840 -0.530 0.000 0.767 74 L CB -0.958 40.807 42.059 -0.489 0.000 0.890 74 L HN 0.045 nan 8.230 nan 0.000 0.434 75 E N -1.493 118.588 120.200 -0.198 0.000 2.216 75 E HA 0.051 4.413 4.350 0.020 0.000 0.192 75 E C 0.303 176.840 176.600 -0.104 0.000 0.973 75 E CA 0.321 56.647 56.400 -0.123 0.000 0.851 75 E CB 0.423 30.082 29.700 -0.069 0.000 0.804 75 E HN 0.424 nan 8.360 nan 0.000 0.477 76 C N 1.500 120.748 119.300 -0.086 0.000 2.547 76 C HA 0.280 4.752 4.460 0.020 0.000 0.313 76 C C -0.078 174.910 174.990 -0.003 0.000 1.191 76 C CA -1.578 57.416 59.018 -0.040 0.000 1.474 76 C CB 1.345 29.080 27.740 -0.008 0.000 2.081 76 C HN 0.239 nan 8.230 nan 0.000 0.476 77 D N 1.938 122.343 120.400 0.010 0.000 2.533 77 D HA 0.231 4.883 4.640 0.020 0.000 0.236 77 D C -0.278 176.089 176.300 0.112 0.000 1.137 77 D CA 0.379 54.424 54.000 0.074 0.000 0.867 77 D CB 0.535 41.371 40.800 0.059 0.000 1.170 77 D HN 0.385 nan 8.370 nan 0.000 0.474 78 L N 4.845 126.181 121.223 0.187 0.000 2.418 78 L HA 0.356 4.708 4.340 0.020 0.000 0.265 78 L C -1.365 175.562 176.870 0.094 0.000 1.143 78 L CA -1.523 53.398 54.840 0.135 0.000 0.809 78 L CB 0.701 42.848 42.059 0.148 0.000 1.124 78 L HN 0.394 nan 8.230 nan 0.000 0.456 79 P HA -0.113 nan 4.420 nan 0.000 0.218 79 P C 1.014 178.335 177.300 0.034 0.000 1.152 79 P CA 0.928 64.054 63.100 0.045 0.000 0.826 79 P CB 0.087 31.806 31.700 0.033 0.000 0.790 80 E N 0.190 120.401 120.200 0.018 0.000 2.338 80 E HA 0.028 4.390 4.350 0.020 0.000 0.197 80 E C 0.779 177.376 176.600 -0.006 0.000 1.007 80 E CA 0.107 56.503 56.400 -0.007 0.000 0.849 80 E CB -0.686 28.987 29.700 -0.044 0.000 0.774 80 E HN 0.057 nan 8.360 nan 0.000 0.506 81 A N 1.702 124.531 122.820 0.014 0.000 2.483 81 A HA 0.044 4.376 4.320 0.020 0.000 0.238 81 A C -0.154 177.478 177.584 0.081 0.000 1.070 81 A CA -0.136 51.921 52.037 0.033 0.000 0.770 81 A CB 0.303 19.352 19.000 0.081 0.000 1.008 81 A HN 0.135 nan 8.150 nan 0.000 0.497 82 D N 0.131 120.607 120.400 0.127 0.000 2.487 82 D HA 0.518 5.170 4.640 0.020 0.000 0.262 82 D C -0.479 175.932 176.300 0.184 0.000 1.130 82 D CA 0.068 54.160 54.000 0.155 0.000 1.038 82 D CB 1.198 42.133 40.800 0.224 0.000 1.142 82 D HN 0.417 nan 8.370 nan 0.000 0.575 83 T N 0.466 115.114 114.554 0.157 0.000 2.770 83 T HA 0.506 4.868 4.350 0.020 0.000 0.283 83 T C -0.088 174.703 174.700 0.153 0.000 0.988 83 T CA -0.620 61.582 62.100 0.171 0.000 0.957 83 T CB 0.934 69.877 68.868 0.126 0.000 0.930 83 T HN 0.272 nan 8.240 nan 0.000 0.443 84 V N 1.314 121.353 119.914 0.208 0.000 3.040 84 V HA 0.845 4.977 4.120 0.020 0.000 0.312 84 V C -0.296 175.922 176.094 0.207 0.000 1.115 84 V CA -1.000 61.382 62.300 0.136 0.000 0.998 84 V CB 1.626 33.569 31.823 0.200 0.000 1.042 84 V HN 0.541 nan 8.190 nan 0.000 0.433 85 V N 2.077 122.085 119.914 0.156 0.000 2.785 85 V HA 0.645 4.777 4.120 0.020 0.000 0.300 85 V C 0.069 176.272 176.094 0.181 0.000 1.062 85 V CA -0.190 62.216 62.300 0.177 0.000 1.029 85 V CB 1.461 33.355 31.823 0.120 0.000 1.024 85 V HN 0.800 nan 8.190 nan 0.000 0.477 86 V N 4.411 124.351 119.914 0.044 0.000 2.841 86 V HA 0.454 4.586 4.120 0.020 0.000 0.310 86 V C -2.401 173.598 176.094 -0.157 0.000 1.090 86 V CA -1.725 60.481 62.300 -0.156 0.000 0.930 86 V CB 2.683 34.153 31.823 -0.588 0.000 1.014 86 V HN 0.764 nan 8.190 nan 0.000 0.425 87 P HA 0.348 nan 4.420 nan 0.000 0.270 87 P C -0.729 176.515 177.300 -0.094 0.000 1.223 87 P CA 0.125 63.119 63.100 -0.177 0.000 0.785 87 P CB 0.798 32.418 31.700 -0.132 0.000 0.923 88 S N -0.386 115.263 115.700 -0.085 0.000 2.645 88 S HA 0.359 4.841 4.470 0.020 0.000 0.268 88 S C -1.419 173.112 174.600 -0.115 0.000 1.110 88 S CA -1.103 57.034 58.200 -0.106 0.000 0.823 88 S CB 0.245 63.365 63.200 -0.133 0.000 1.091 88 S HN 0.381 nan 8.310 nan 0.000 0.466 89 N N 1.040 119.601 118.700 -0.231 0.000 2.417 89 N HA 0.427 5.179 4.740 0.020 0.000 0.274 89 N C 0.517 175.849 175.510 -0.297 0.000 0.987 89 N CA -0.861 52.019 53.050 -0.283 0.000 0.912 89 N CB 0.736 39.030 38.487 -0.321 0.000 1.177 89 N HN 0.837 nan 8.380 nan 0.000 0.490 90 W N 2.887 124.082 121.300 -0.174 0.000 2.364 90 W HA -0.120 4.552 4.660 0.020 0.000 0.281 90 W C 0.999 177.549 176.519 0.052 0.000 1.219 90 W CA 0.947 58.215 57.345 -0.129 0.000 1.220 90 W CB -0.496 28.801 29.460 -0.272 0.000 1.127 90 W HN 0.493 nan 8.180 nan 0.000 0.556 91 Q N 0.547 120.360 119.800 0.022 0.000 2.181 91 Q HA -0.163 4.189 4.340 0.020 0.000 0.205 91 Q C 2.155 178.134 176.000 -0.035 0.000 0.980 91 Q CA 2.163 57.987 55.803 0.035 0.000 0.862 91 Q CB -0.716 27.943 28.738 -0.131 0.000 0.905 91 Q HN 0.303 nan 8.270 nan 0.000 0.429 92 M N -0.883 118.629 119.600 -0.147 0.000 2.476 92 M HA -0.052 4.440 4.480 0.020 0.000 0.262 92 M C 0.631 176.934 176.300 0.006 0.000 1.079 92 M CA 1.388 56.600 55.300 -0.147 0.000 1.104 92 M CB -0.550 31.924 32.600 -0.210 0.000 1.409 92 M HN 0.391 nan 8.290 nan 0.000 0.467 93 H N -1.073 118.016 119.070 0.032 0.000 2.652 93 H HA 0.330 4.898 4.556 0.020 0.000 0.274 93 H C 1.278 176.433 175.328 -0.287 0.000 1.021 93 H CA 0.114 56.132 56.048 -0.051 0.000 1.187 93 H CB 0.513 30.325 29.762 0.082 0.000 1.505 93 H HN 0.538 nan 8.280 nan 0.000 0.530 94 G N 0.539 109.282 108.800 -0.095 0.000 2.175 94 G HA2 -0.361 3.611 3.960 0.020 0.000 0.244 94 G HA3 -0.361 3.611 3.960 0.020 0.000 0.244 94 G C 0.461 175.132 174.900 -0.381 0.000 0.982 94 G CA 0.213 45.180 45.100 -0.221 0.000 0.641 94 G HN 0.493 nan 8.290 nan 0.000 0.527 95 Y N 1.633 121.942 120.300 0.015 0.000 2.421 95 Y HA 0.265 4.827 4.550 0.020 0.000 0.292 95 Y C 1.575 177.192 175.900 -0.472 0.000 1.136 95 Y CA 1.398 59.330 58.100 -0.280 0.000 1.255 95 Y CB 0.269 38.568 38.460 -0.268 0.000 0.991 95 Y HN 0.623 nan 8.280 nan 0.000 0.552 96 D N -1.661 118.792 120.400 0.089 0.000 2.725 96 D HA 0.359 5.011 4.640 0.020 0.000 0.292 96 D C -1.337 175.092 176.300 0.215 0.000 1.288 96 D CA -0.686 53.399 54.000 0.141 0.000 0.784 96 D CB 0.687 41.690 40.800 0.339 0.000 1.308 96 D HN -0.096 nan 8.370 nan 0.000 0.429 97 A N 0.352 123.308 122.820 0.227 0.000 2.327 97 A HA 0.703 5.035 4.320 0.020 0.000 0.283 97 A C -2.367 175.314 177.584 0.162 0.000 1.127 97 A CA -1.023 51.149 52.037 0.226 0.000 0.810 97 A CB 0.180 19.351 19.000 0.284 0.000 1.066 97 A HN 0.502 nan 8.150 nan 0.000 0.492 98 P HA 0.574 nan 4.420 nan 0.000 0.284 98 P C -0.940 176.533 177.300 0.288 0.000 1.258 98 P CA -0.201 62.902 63.100 0.005 0.000 0.824 98 P CB 1.028 32.507 31.700 -0.369 0.000 1.038 99 I N 2.062 122.880 120.570 0.413 0.000 2.509 99 I HA 0.294 4.476 4.170 0.020 0.000 0.293 99 I C -0.635 175.645 176.117 0.271 0.000 1.020 99 I CA -1.006 60.531 61.300 0.394 0.000 1.088 99 I CB 1.763 39.941 38.000 0.297 0.000 1.267 99 I HN 0.285 nan 8.210 nan 0.000 0.430 100 Y N 5.667 125.869 120.300 -0.163 0.000 2.417 100 Y HA 0.553 5.115 4.550 0.020 0.000 0.336 100 Y C -0.470 175.268 175.900 -0.270 0.000 0.961 100 Y CA -0.587 57.153 58.100 -0.600 0.000 1.215 100 Y CB 1.157 38.849 38.460 -1.280 0.000 1.120 100 Y HN 0.525 nan 8.280 nan 0.000 0.499 101 T N 5.726 119.861 114.554 -0.698 0.000 2.886 101 T HA 0.260 4.622 4.350 0.020 0.000 0.292 101 T C 0.296 174.579 174.700 -0.695 0.000 1.012 101 T CA -0.533 61.147 62.100 -0.700 0.000 0.982 101 T CB 1.062 69.742 68.868 -0.314 0.000 1.018 101 T HN 0.927 nan 8.240 nan 0.000 0.451 102 N N 2.678 120.960 118.700 -0.696 0.000 2.202 102 N HA -0.016 4.736 4.740 0.020 0.000 0.191 102 N C 1.409 176.690 175.510 -0.381 0.000 1.054 102 N CA 0.741 53.537 53.050 -0.423 0.000 0.877 102 N CB 0.138 38.379 38.487 -0.411 0.000 1.057 102 N HN 0.366 nan 8.380 nan 0.000 0.456 103 V N 0.502 120.126 119.914 -0.483 0.000 2.575 103 V HA 0.037 4.169 4.120 0.020 0.000 0.242 103 V C 0.549 176.356 176.094 -0.479 0.000 1.045 103 V CA 0.756 62.710 62.300 -0.576 0.000 1.065 103 V CB -0.160 31.207 31.823 -0.760 0.000 0.717 103 V HN 0.351 nan 8.190 nan 0.000 0.467 104 T N 1.539 115.870 114.554 -0.372 0.000 2.792 104 T HA 0.099 4.461 4.350 0.020 0.000 0.286 104 T C -0.276 174.311 174.700 -0.189 0.000 0.970 104 T CA 0.287 62.239 62.100 -0.246 0.000 1.187 104 T CB -0.501 68.252 68.868 -0.192 0.000 0.915 104 T HN 0.205 nan 8.240 nan 0.000 0.529 105 Y N 5.248 125.466 120.300 -0.136 0.000 2.702 105 Y HA 0.067 4.628 4.550 0.020 0.000 0.336 105 Y C -0.799 174.997 175.900 -0.173 0.000 1.235 105 Y CA -1.668 56.350 58.100 -0.137 0.000 1.492 105 Y CB 0.461 38.844 38.460 -0.128 0.000 1.308 105 Y HN 0.525 nan 8.280 nan 0.000 0.589 106 P HA -0.034 nan 4.420 nan 0.000 0.237 106 P C -0.344 176.753 177.300 -0.339 0.000 1.178 106 P CA 1.148 64.170 63.100 -0.129 0.000 0.766 106 P CB -0.044 31.642 31.700 -0.023 0.000 0.876 107 I N -5.356 114.991 120.570 -0.372 0.000 2.892 107 I HA 0.491 4.673 4.170 0.020 0.000 0.306 107 I C -0.622 175.374 176.117 -0.202 0.000 1.078 107 I CA -1.224 59.821 61.300 -0.424 0.000 1.032 107 I CB 1.889 39.499 38.000 -0.650 0.000 1.229 107 I HN -0.460 nan 8.210 nan 0.000 0.435 108 T N 3.032 117.504 114.554 -0.136 0.000 2.934 108 T HA 0.126 4.488 4.350 0.020 0.000 0.306 108 T C 0.242 174.933 174.700 -0.016 0.000 1.042 108 T CA -0.223 61.848 62.100 -0.049 0.000 1.145 108 T CB 0.699 69.554 68.868 -0.021 0.000 0.982 108 T HN 0.389 nan 8.240 nan 0.000 0.544 109 V N 4.630 124.554 119.914 0.015 0.000 2.370 109 V HA 0.225 4.357 4.120 0.020 0.000 0.257 109 V C 0.717 176.846 176.094 0.059 0.000 1.064 109 V CA -0.102 62.224 62.300 0.043 0.000 0.975 109 V CB -0.213 31.625 31.823 0.025 0.000 1.067 109 V HN 0.907 nan 8.190 nan 0.000 0.485 110 N N 5.895 124.676 118.700 0.136 0.000 2.635 110 N HA 0.233 4.985 4.740 0.020 0.000 0.252 110 N C -2.943 172.630 175.510 0.105 0.000 1.589 110 N CA -1.172 51.950 53.050 0.120 0.000 0.828 110 N CB 1.199 39.792 38.487 0.178 0.000 1.403 110 N HN 0.258 nan 8.380 nan 0.000 0.518 111 P HA 0.103 nan 4.420 nan 0.000 0.263 111 P C -2.124 175.015 177.300 -0.269 0.000 1.175 111 P CA -0.521 62.209 63.100 -0.617 0.000 0.761 111 P CB 0.501 31.699 31.700 -0.837 0.000 0.794 112 P HA 0.177 nan 4.420 nan 0.000 0.268 112 P C -0.180 177.029 177.300 -0.152 0.000 1.329 112 P CA -0.120 62.826 63.100 -0.257 0.000 0.899 112 P CB 0.235 31.719 31.700 -0.360 0.000 1.378 113 F N 1.333 121.391 119.950 0.181 0.000 2.410 113 F HA 0.240 4.779 4.527 0.021 0.000 0.334 113 F C 1.394 177.341 175.800 0.244 0.000 1.134 113 F CA -0.674 57.431 58.000 0.175 0.000 1.227 113 F CB 0.369 39.423 39.000 0.090 0.000 1.194 113 F HN -0.242 nan 8.300 nan 0.000 0.571 114 V N -0.840 119.327 119.914 0.422 0.000 3.046 114 V HA 0.692 4.824 4.120 0.020 0.000 0.316 114 V C -2.697 173.544 176.094 0.245 0.000 1.104 114 V CA -2.913 59.558 62.300 0.285 0.000 1.006 114 V CB 1.288 33.338 31.823 0.378 0.000 1.058 114 V HN 0.510 nan 8.190 nan 0.000 0.440 115 P HA 0.174 nan 4.420 nan 0.000 0.267 115 P C 1.100 178.522 177.300 0.203 0.000 1.200 115 P CA 0.551 63.721 63.100 0.116 0.000 0.772 115 P CB 0.524 32.239 31.700 0.025 0.000 0.855 116 T N -1.532 113.118 114.554 0.159 0.000 2.821 116 T HA -0.120 4.242 4.350 0.020 0.000 0.267 116 T C 0.648 175.450 174.700 0.171 0.000 1.046 116 T CA 0.820 63.022 62.100 0.169 0.000 1.139 116 T CB -0.460 68.479 68.868 0.117 0.000 0.871 116 T HN 0.426 nan 8.240 nan 0.000 0.454 117 E N 2.218 122.514 120.200 0.160 0.000 2.105 117 E HA 0.205 4.567 4.350 0.020 0.000 0.285 117 E C -1.023 175.719 176.600 0.235 0.000 1.055 117 E CA -0.349 56.150 56.400 0.166 0.000 0.843 117 E CB 0.224 30.018 29.700 0.157 0.000 1.067 117 E HN 0.265 nan 8.360 nan 0.000 0.398 118 N N 5.773 124.596 118.700 0.205 0.000 2.576 118 N HA 0.274 5.026 4.740 0.020 0.000 0.269 118 N C -2.847 172.707 175.510 0.073 0.000 1.058 118 N CA -2.278 50.935 53.050 0.271 0.000 0.860 118 N CB 1.380 40.021 38.487 0.256 0.000 1.249 118 N HN 0.142 nan 8.380 nan 0.000 0.525 119 P HA 0.003 nan 4.420 nan 0.000 0.258 119 P C -0.793 176.431 177.300 -0.126 0.000 1.172 119 P CA 0.499 63.526 63.100 -0.123 0.000 0.762 119 P CB 0.235 32.176 31.700 0.402 0.000 0.764 120 T N 3.016 117.227 114.554 -0.572 0.000 2.786 120 T HA 0.541 4.903 4.350 0.020 0.000 0.283 120 T C 0.435 174.650 174.700 -0.808 0.000 0.992 120 T CA -0.550 61.279 62.100 -0.452 0.000 0.954 120 T CB 1.445 70.066 68.868 -0.411 0.000 0.934 120 T HN 0.339 nan 8.240 nan 0.000 0.440 121 G N 1.028 109.519 108.800 -0.515 0.000 2.319 121 G HA2 0.448 4.420 3.960 0.020 0.000 0.308 121 G HA3 0.448 4.420 3.960 0.020 0.000 0.308 121 G C -0.187 174.511 174.900 -0.337 0.000 1.117 121 G CA -0.386 44.336 45.100 -0.630 0.000 0.903 121 G HN 0.863 nan 8.290 nan 0.000 0.436 122 C N 3.716 122.568 119.300 -0.746 0.000 2.168 122 C HA 0.388 4.860 4.460 0.020 0.000 0.333 122 C C -0.473 174.607 174.990 0.149 0.000 1.106 122 C CA -1.064 57.652 59.018 -0.503 0.000 1.574 122 C CB -2.012 24.946 27.740 -1.303 0.000 2.055 122 C HN 0.605 nan 8.230 nan 0.000 0.473 123 Y N 2.020 122.692 120.300 0.619 0.000 2.310 123 Y HA 0.572 5.134 4.550 0.020 0.000 0.326 123 Y C 0.855 177.237 175.900 0.804 0.000 1.151 123 Y CA -0.249 58.297 58.100 0.744 0.000 1.195 123 Y CB 1.072 39.938 38.460 0.676 0.000 1.210 123 Y HN 0.628 nan 8.280 nan 0.000 0.483 124 S N 2.615 118.804 115.700 0.814 0.000 2.537 124 S HA 0.776 5.258 4.470 0.020 0.000 0.270 124 S C -1.899 172.775 174.600 0.124 0.000 1.142 124 S CA -0.827 57.602 58.200 0.383 0.000 0.870 124 S CB 1.895 65.205 63.200 0.183 0.000 1.112 124 S HN 0.623 nan 8.310 nan 0.000 0.466 125 L N 1.400 122.486 121.223 -0.228 0.000 2.470 125 L HA 0.697 5.049 4.340 0.020 0.000 0.268 125 L C -0.878 175.915 176.870 -0.128 0.000 0.964 125 L CA 0.100 54.643 54.840 -0.494 0.000 0.839 125 L CB 2.324 43.521 42.059 -1.437 0.000 1.276 125 L HN 0.891 nan 8.230 nan 0.000 0.403 126 T N 6.184 120.697 114.554 -0.069 0.000 2.733 126 T HA 0.643 5.005 4.350 0.020 0.000 0.294 126 T C -0.763 173.977 174.700 0.068 0.000 0.956 126 T CA 0.080 62.176 62.100 -0.007 0.000 0.987 126 T CB -0.140 68.705 68.868 -0.038 0.000 0.920 126 T HN 0.440 nan 8.240 nan 0.000 0.470 127 F N 1.545 121.402 119.950 -0.156 0.000 2.643 127 F HA 0.684 5.223 4.527 0.020 0.000 0.314 127 F C -0.774 174.953 175.800 -0.122 0.000 1.096 127 F CA -1.512 56.399 58.000 -0.148 0.000 0.953 127 F CB 1.521 40.414 39.000 -0.180 0.000 1.345 127 F HN 0.377 nan 8.300 nan 0.000 0.468 128 N N 0.599 119.213 118.700 -0.143 0.000 2.456 128 N HA 0.689 5.441 4.740 0.020 0.000 0.296 128 N C -2.016 173.363 175.510 -0.219 0.000 1.102 128 N CA -0.618 52.289 53.050 -0.239 0.000 0.924 128 N CB 1.981 40.390 38.487 -0.129 0.000 1.186 128 N HN 0.621 nan 8.380 nan 0.000 0.492 129 V N 2.006 121.756 119.914 -0.274 0.000 2.588 129 V HA 0.227 4.359 4.120 0.020 0.000 0.304 129 V C -0.905 175.060 176.094 -0.214 0.000 1.042 129 V CA -0.936 61.215 62.300 -0.247 0.000 0.877 129 V CB 1.760 33.472 31.823 -0.185 0.000 0.996 129 V HN 0.743 nan 8.190 nan 0.000 0.425 130 D N 3.481 123.689 120.400 -0.319 0.000 2.382 130 D HA 0.009 4.661 4.640 0.020 0.000 0.259 130 D C 1.060 177.353 176.300 -0.011 0.000 1.224 130 D CA 0.343 54.234 54.000 -0.181 0.000 0.894 130 D CB 1.495 42.167 40.800 -0.214 0.000 1.127 130 D HN 0.768 nan 8.370 nan 0.000 0.487 131 E N 1.783 121.991 120.200 0.014 0.000 2.209 131 E HA -0.209 4.153 4.350 0.020 0.000 0.196 131 E C 1.458 178.132 176.600 0.124 0.000 0.993 131 E CA 1.158 57.596 56.400 0.064 0.000 0.819 131 E CB 0.261 29.981 29.700 0.034 0.000 0.745 131 E HN 0.407 nan 8.360 nan 0.000 0.477 132 S N -0.137 115.645 115.700 0.135 0.000 2.402 132 S HA -0.205 4.277 4.470 0.020 0.000 0.233 132 S C 1.381 176.074 174.600 0.155 0.000 1.030 132 S CA 1.175 59.454 58.200 0.132 0.000 1.003 132 S CB -0.714 62.568 63.200 0.136 0.000 0.813 132 S HN 0.433 nan 8.310 nan 0.000 0.477 133 W N 1.702 122.952 121.300 -0.083 0.000 2.402 133 W HA 0.230 4.902 4.660 0.020 0.000 0.286 133 W C 2.033 178.630 176.519 0.130 0.000 1.221 133 W CA 0.085 57.388 57.345 -0.070 0.000 1.257 133 W CB -0.671 28.804 29.460 0.024 0.000 1.120 133 W HN 0.291 nan 8.180 nan 0.000 0.551 134 L N -0.369 121.031 121.223 0.295 0.000 2.354 134 L HA -0.066 4.286 4.340 0.020 0.000 0.212 134 L C 2.338 179.295 176.870 0.144 0.000 1.091 134 L CA 0.679 55.644 54.840 0.208 0.000 0.828 134 L CB -0.796 41.353 42.059 0.149 0.000 0.973 134 L HN 0.008 nan 8.230 nan 0.000 0.461 135 Q N 1.060 120.933 119.800 0.123 0.000 2.167 135 Q HA -0.081 4.271 4.340 0.020 0.000 0.202 135 Q C 0.625 176.678 176.000 0.088 0.000 0.970 135 Q CA 0.985 56.839 55.803 0.085 0.000 0.855 135 Q CB -0.169 28.608 28.738 0.064 0.000 0.911 135 Q HN 0.581 nan 8.270 nan 0.000 0.438 136 E N -0.657 119.618 120.200 0.125 0.000 2.433 136 E HA 0.495 4.857 4.350 0.020 0.000 0.278 136 E C -0.217 176.522 176.600 0.233 0.000 0.976 136 E CA -0.674 55.803 56.400 0.130 0.000 0.793 136 E CB 1.407 31.165 29.700 0.095 0.000 1.311 136 E HN 0.192 nan 8.360 nan 0.000 0.460 137 G N 1.022 109.885 108.800 0.106 0.000 2.725 137 G HA2 -0.215 3.756 3.960 0.020 0.000 0.220 137 G HA3 -0.215 3.756 3.960 0.020 0.000 0.220 137 G C -0.933 173.886 174.900 -0.135 0.000 1.357 137 G CA 0.032 45.097 45.100 -0.059 0.000 0.866 137 G HN 0.730 nan 8.290 nan 0.000 0.548 138 Q N -0.688 118.874 119.800 -0.397 0.000 2.356 138 Q HA 0.661 5.013 4.340 0.020 0.000 0.270 138 Q C -1.129 174.738 176.000 -0.222 0.000 1.058 138 Q CA -0.518 55.167 55.803 -0.197 0.000 0.802 138 Q CB 1.803 30.448 28.738 -0.155 0.000 1.303 138 Q HN 0.648 nan 8.270 nan 0.000 0.444 139 T N 4.569 119.148 114.554 0.041 0.000 2.809 139 T HA 0.429 4.791 4.350 0.020 0.000 0.296 139 T C -0.663 174.146 174.700 0.182 0.000 1.015 139 T CA -0.629 61.584 62.100 0.187 0.000 0.954 139 T CB 0.555 69.667 68.868 0.407 0.000 0.950 139 T HN 0.605 nan 8.240 nan 0.000 0.450 140 R N 3.417 124.005 120.500 0.146 0.000 2.732 140 R HA 0.747 5.099 4.340 0.020 0.000 0.278 140 R C -0.942 175.437 176.300 0.130 0.000 0.976 140 R CA -0.876 55.303 56.100 0.132 0.000 0.963 140 R CB 1.382 31.731 30.300 0.082 0.000 1.150 140 R HN 0.588 nan 8.270 nan 0.000 0.478 141 I N 3.224 123.871 120.570 0.128 0.000 2.437 141 I HA 0.418 4.600 4.170 0.020 0.000 0.298 141 I C -1.031 175.074 176.117 -0.019 0.000 0.984 141 I CA -1.191 60.128 61.300 0.031 0.000 1.214 141 I CB 1.213 39.229 38.000 0.025 0.000 1.365 141 I HN 0.648 nan 8.210 nan 0.000 0.469 142 I N 7.230 127.671 120.570 -0.216 0.000 2.439 142 I HA 0.268 4.450 4.170 0.020 0.000 0.285 142 I C -1.301 174.549 176.117 -0.445 0.000 1.021 142 I CA -0.348 60.833 61.300 -0.197 0.000 1.091 142 I CB 1.513 39.448 38.000 -0.108 0.000 1.242 142 I HN 0.398 nan 8.210 nan 0.000 0.439 143 F N 4.640 124.556 119.950 -0.056 0.000 2.303 143 F HA 0.257 4.796 4.527 0.020 0.000 0.368 143 F C 1.360 177.027 175.800 -0.221 0.000 1.105 143 F CA -0.479 57.415 58.000 -0.177 0.000 1.153 143 F CB 0.557 39.401 39.000 -0.261 0.000 1.362 143 F HN 0.463 nan 8.300 nan 0.000 0.511 144 D N 2.331 122.633 120.400 -0.164 0.000 2.265 144 D HA -0.019 4.633 4.640 0.020 0.000 0.208 144 D C 1.066 177.176 176.300 -0.317 0.000 0.977 144 D CA 1.095 54.952 54.000 -0.237 0.000 0.871 144 D CB 0.284 40.896 40.800 -0.313 0.000 0.925 144 D HN 0.631 nan 8.370 nan 0.000 0.485 145 G N -0.629 107.930 108.800 -0.401 0.000 2.455 145 G HA2 0.410 4.382 3.960 0.020 0.000 0.298 145 G HA3 0.410 4.382 3.960 0.020 0.000 0.298 145 G C -1.475 173.097 174.900 -0.546 0.000 1.349 145 G CA -0.542 44.173 45.100 -0.640 0.000 1.220 145 G HN -0.042 nan 8.290 nan 0.000 0.598 146 V N 2.397 122.190 119.914 -0.201 0.000 2.483 146 V HA 0.545 4.677 4.120 0.020 0.000 0.297 146 V C -0.702 175.461 176.094 0.114 0.000 1.027 146 V CA -1.217 61.009 62.300 -0.123 0.000 0.855 146 V CB 1.869 33.402 31.823 -0.483 0.000 0.995 146 V HN 0.681 nan 8.190 nan 0.000 0.424 147 N N 2.578 121.354 118.700 0.128 0.000 2.476 147 N HA 0.298 5.050 4.740 0.020 0.000 0.257 147 N C 0.692 176.133 175.510 -0.114 0.000 0.970 147 N CA 0.219 53.278 53.050 0.014 0.000 0.938 147 N CB 2.138 40.524 38.487 -0.169 0.000 1.144 147 N HN 0.713 nan 8.380 nan 0.000 0.500 148 S N 2.006 117.670 115.700 -0.061 0.000 2.506 148 S HA 0.543 5.025 4.470 0.020 0.000 0.219 148 S C 0.424 175.072 174.600 0.080 0.000 1.031 148 S CA 0.135 58.353 58.200 0.030 0.000 0.911 148 S CB 0.364 63.593 63.200 0.047 0.000 0.812 148 S HN 0.604 nan 8.310 nan 0.000 0.497 149 A N 0.728 123.601 122.820 0.089 0.000 2.609 149 A HA 0.784 5.116 4.320 0.020 0.000 0.291 149 A C -1.345 176.315 177.584 0.126 0.000 1.096 149 A CA -0.944 51.107 52.037 0.024 0.000 0.684 149 A CB 0.915 19.937 19.000 0.037 0.000 1.282 149 A HN 1.153 nan 8.150 nan 0.000 0.412 150 F N -0.665 119.112 119.950 -0.287 0.000 2.703 150 F HA 0.701 5.240 4.527 0.020 0.000 0.308 150 F C -1.323 174.329 175.800 -0.246 0.000 1.126 150 F CA -0.736 57.163 58.000 -0.167 0.000 0.959 150 F CB 1.062 39.947 39.000 -0.190 0.000 1.297 150 F HN 0.640 nan 8.300 nan 0.000 0.441 151 H N 2.252 121.361 119.070 0.066 0.000 2.472 151 H HA 0.705 5.273 4.556 0.020 0.000 0.338 151 H C -1.392 173.794 175.328 -0.237 0.000 1.133 151 H CA -0.725 55.242 56.048 -0.135 0.000 1.216 151 H CB 2.473 32.113 29.762 -0.204 0.000 1.497 151 H HN 0.832 nan 8.280 nan 0.000 0.500 152 L N 3.278 124.200 121.223 -0.501 0.000 2.356 152 L HA 0.402 4.754 4.340 0.020 0.000 0.277 152 L C -1.572 174.967 176.870 -0.552 0.000 0.996 152 L CA -0.451 54.158 54.840 -0.384 0.000 0.822 152 L CB 1.289 43.083 42.059 -0.441 0.000 1.256 152 L HN 0.492 nan 8.230 nan 0.000 0.413 153 W N 4.287 125.554 121.300 -0.054 0.000 2.781 153 W HA 0.624 5.297 4.660 0.021 0.000 0.345 153 W C -1.136 175.338 176.519 -0.074 0.000 1.085 153 W CA -0.860 56.447 57.345 -0.063 0.000 1.198 153 W CB 2.051 31.495 29.460 -0.027 0.000 1.423 153 W HN 0.608 nan 8.180 nan 0.000 0.532 154 C N 4.533 123.942 119.300 0.181 0.000 2.522 154 C HA 0.259 4.731 4.460 0.020 0.000 0.344 154 C C 0.107 175.216 174.990 0.199 0.000 1.104 154 C CA -0.408 58.702 59.018 0.153 0.000 1.317 154 C CB -0.877 26.920 27.740 0.094 0.000 1.896 154 C HN 0.806 nan 8.230 nan 0.000 0.443 155 N N 3.504 122.275 118.700 0.118 0.000 2.740 155 N HA -0.185 4.567 4.740 0.020 0.000 0.248 155 N C 0.943 176.509 175.510 0.093 0.000 1.062 155 N CA 1.976 55.072 53.050 0.077 0.000 0.704 155 N CB -1.273 37.257 38.487 0.072 0.000 0.968 155 N HN 1.905 nan 8.380 nan 0.000 0.547 156 G N -0.755 108.095 108.800 0.084 0.000 2.168 156 G HA2 -0.369 3.603 3.960 0.020 0.000 0.263 156 G HA3 -0.369 3.603 3.960 0.020 0.000 0.263 156 G C 0.118 175.158 174.900 0.234 0.000 0.977 156 G CA 0.769 45.918 45.100 0.082 0.000 0.659 156 G HN 0.620 nan 8.290 nan 0.000 0.533 157 R N -1.085 119.620 120.500 0.342 0.000 2.445 157 R HA 0.458 4.810 4.340 0.020 0.000 0.308 157 R C -0.220 176.396 176.300 0.526 0.000 0.961 157 R CA -1.072 55.291 56.100 0.438 0.000 0.862 157 R CB 0.778 31.337 30.300 0.432 0.000 1.144 157 R HN 0.224 nan 8.270 nan 0.000 0.447 158 W N 4.671 126.158 121.300 0.312 0.000 2.251 158 W HA 0.086 4.758 4.660 0.020 0.000 0.327 158 W C -0.088 176.361 176.519 -0.118 0.000 1.361 158 W CA 0.005 57.316 57.345 -0.056 0.000 1.234 158 W CB 0.753 30.117 29.460 -0.159 0.000 1.212 158 W HN 0.358 nan 8.180 nan 0.000 0.557 159 V N 5.329 124.578 119.914 -1.108 0.000 2.490 159 V HA 0.526 4.658 4.120 0.020 0.000 0.238 159 V C 1.120 176.191 176.094 -1.705 0.000 1.056 159 V CA 1.110 62.648 62.300 -1.269 0.000 1.075 159 V CB -0.635 30.522 31.823 -1.109 0.000 0.746 159 V HN 0.860 nan 8.190 nan 0.000 0.479 160 G N -1.870 105.640 108.800 -2.150 0.000 2.341 160 G HA2 0.441 4.413 3.960 0.020 0.000 0.299 160 G HA3 0.441 4.413 3.960 0.020 0.000 0.299 160 G C -2.402 171.971 174.900 -0.878 0.000 1.274 160 G CA -0.231 43.929 45.100 -1.567 0.000 0.853 160 G HN 0.052 nan 8.290 nan 0.000 0.493 161 Y N -0.461 119.521 120.300 -0.531 0.000 2.588 161 Y HA 0.736 5.297 4.550 0.020 0.000 0.343 161 Y C -0.010 175.639 175.900 -0.418 0.000 1.065 161 Y CA 0.004 57.747 58.100 -0.595 0.000 1.038 161 Y CB 2.304 40.615 38.460 -0.248 0.000 1.297 161 Y HN 1.324 nan 8.280 nan 0.000 0.467 162 G N 3.361 111.274 108.800 -1.479 0.000 2.720 162 G HA2 0.553 4.525 3.960 0.020 0.000 0.295 162 G HA3 0.553 4.525 3.960 0.020 0.000 0.295 162 G C -2.190 172.239 174.900 -0.785 0.000 1.437 162 G CA -0.943 43.660 45.100 -0.829 0.000 0.886 162 G HN 0.636 nan 8.290 nan 0.000 0.509 163 Q N -0.247 119.349 119.800 -0.340 0.000 2.633 163 Q HA 0.628 4.980 4.340 0.020 0.000 0.292 163 Q C -1.245 174.754 176.000 -0.002 0.000 1.089 163 Q CA -0.914 54.817 55.803 -0.119 0.000 0.811 163 Q CB 2.403 31.122 28.738 -0.032 0.000 1.472 163 Q HN 0.619 nan 8.270 nan 0.000 0.464 164 D N -0.186 120.249 120.400 0.059 0.000 4.535 164 D HA -0.100 4.552 4.640 0.020 0.000 0.236 164 D C -0.482 175.877 176.300 0.099 0.000 1.142 164 D CA 0.462 54.513 54.000 0.085 0.000 1.102 164 D CB -0.619 40.217 40.800 0.059 0.000 0.703 164 D HN 0.550 nan 8.370 nan 0.000 0.331 165 S N 3.165 118.944 115.700 0.130 0.000 2.507 165 S HA -0.067 4.415 4.470 0.020 0.000 0.235 165 S C 1.562 176.295 174.600 0.221 0.000 0.988 165 S CA 0.513 58.826 58.200 0.189 0.000 0.944 165 S CB 0.236 63.547 63.200 0.184 0.000 0.762 165 S HN 0.459 nan 8.310 nan 0.000 0.526 166 R N 0.323 120.915 120.500 0.153 0.000 2.468 166 R HA 0.424 4.776 4.340 0.020 0.000 0.280 166 R C -0.304 176.041 176.300 0.074 0.000 0.963 166 R CA 0.071 56.254 56.100 0.139 0.000 1.083 166 R CB -0.007 30.393 30.300 0.168 0.000 1.200 166 R HN 0.336 nan 8.270 nan 0.000 0.541 167 L N 1.497 122.735 121.223 0.025 0.000 2.393 167 L HA 0.471 4.823 4.340 0.020 0.000 0.260 167 L C -2.400 174.434 176.870 -0.059 0.000 1.002 167 L CA -2.356 52.471 54.840 -0.021 0.000 0.818 167 L CB 3.054 45.100 42.059 -0.021 0.000 1.369 167 L HN -0.208 nan 8.230 nan 0.000 0.412 168 P HA 0.063 nan 4.420 nan 0.000 0.267 168 P C -0.991 176.265 177.300 -0.074 0.000 1.205 168 P CA -0.048 62.990 63.100 -0.104 0.000 0.765 168 P CB 0.820 32.420 31.700 -0.167 0.000 0.828 169 S N 2.435 118.153 115.700 0.031 0.000 2.449 169 S HA 0.333 4.815 4.470 0.020 0.000 0.310 169 S C -0.281 174.296 174.600 -0.039 0.000 1.096 169 S CA -0.636 57.564 58.200 0.001 0.000 1.095 169 S CB 1.106 64.437 63.200 0.218 0.000 1.007 169 S HN 0.380 nan 8.310 nan 0.000 0.474 170 E N 1.771 121.736 120.200 -0.392 0.000 2.238 170 E HA 0.589 4.951 4.350 0.020 0.000 0.267 170 E C -1.434 174.745 176.600 -0.703 0.000 0.887 170 E CA -0.569 55.647 56.400 -0.307 0.000 0.769 170 E CB 1.597 31.221 29.700 -0.127 0.000 1.187 170 E HN 0.423 nan 8.360 nan 0.000 0.416 171 F N 0.483 120.480 119.950 0.078 0.000 2.576 171 F HA 0.228 4.767 4.527 0.021 0.000 0.313 171 F C -0.063 175.753 175.800 0.026 0.000 1.078 171 F CA -1.129 56.882 58.000 0.018 0.000 0.921 171 F CB 1.478 40.451 39.000 -0.046 0.000 1.232 171 F HN 0.255 nan 8.300 nan 0.000 0.459 172 D N 2.622 123.133 120.400 0.186 0.000 2.339 172 D HA 0.276 4.928 4.640 0.020 0.000 0.241 172 D C 0.362 176.802 176.300 0.234 0.000 1.183 172 D CA 0.169 54.275 54.000 0.176 0.000 0.859 172 D CB 0.882 41.772 40.800 0.149 0.000 1.067 172 D HN 0.555 nan 8.370 nan 0.000 0.484 173 L N 2.562 123.928 121.223 0.238 0.000 2.607 173 L HA 0.041 4.393 4.340 0.020 0.000 0.228 173 L C 2.147 179.264 176.870 0.412 0.000 1.123 173 L CA -0.183 54.858 54.840 0.335 0.000 0.890 173 L CB -0.020 42.191 42.059 0.252 0.000 1.103 173 L HN 0.257 nan 8.230 nan 0.000 0.468 174 S N 1.312 117.189 115.700 0.295 0.000 2.389 174 S HA -0.288 4.194 4.470 0.020 0.000 0.231 174 S C 2.039 176.747 174.600 0.180 0.000 1.052 174 S CA 1.936 60.265 58.200 0.215 0.000 1.053 174 S CB -0.118 63.166 63.200 0.140 0.000 0.886 174 S HN 0.592 nan 8.310 nan 0.000 0.456 175 A N -0.584 122.333 122.820 0.162 0.000 2.218 175 A HA 0.325 4.657 4.320 0.020 0.000 0.209 175 A C 1.271 178.725 177.584 -0.217 0.000 1.168 175 A CA 0.253 52.243 52.037 -0.079 0.000 0.804 175 A CB -0.324 18.540 19.000 -0.228 0.000 0.834 175 A HN 0.482 nan 8.150 nan 0.000 0.482 176 F N -0.550 119.442 119.950 0.070 0.000 2.717 176 F HA 0.372 4.911 4.527 0.020 0.000 0.295 176 F C 0.659 176.492 175.800 0.054 0.000 1.117 176 F CA -0.303 57.736 58.000 0.065 0.000 1.361 176 F CB -0.202 38.842 39.000 0.073 0.000 1.112 176 F HN -0.042 nan 8.300 nan 0.000 0.594 177 L N 1.380 122.744 121.223 0.235 0.000 2.421 177 L HA 0.439 4.791 4.340 0.020 0.000 0.263 177 L C 0.462 177.365 176.870 0.056 0.000 1.122 177 L CA -0.568 54.350 54.840 0.129 0.000 0.804 177 L CB 0.987 43.135 42.059 0.148 0.000 1.150 177 L HN 0.025 nan 8.230 nan 0.000 0.457 178 R N 2.042 122.536 120.500 -0.011 0.000 2.795 178 R HA 0.670 5.022 4.340 0.020 0.000 0.275 178 R C -1.083 175.181 176.300 -0.060 0.000 0.981 178 R CA -0.752 55.332 56.100 -0.026 0.000 0.917 178 R CB 1.748 32.028 30.300 -0.033 0.000 1.202 178 R HN 0.632 nan 8.270 nan 0.000 0.469 179 A N 1.829 124.626 122.820 -0.038 0.000 2.561 179 A HA 0.406 4.738 4.320 0.020 0.000 0.251 179 A C 1.034 178.570 177.584 -0.081 0.000 1.062 179 A CA 1.342 53.350 52.037 -0.048 0.000 0.761 179 A CB -0.997 17.988 19.000 -0.025 0.000 0.986 179 A HN 1.392 nan 8.150 nan 0.000 0.510 180 G N 2.020 110.753 108.800 -0.111 0.000 2.578 180 G HA2 -0.113 3.859 3.960 0.020 0.000 0.232 180 G HA3 -0.113 3.859 3.960 0.020 0.000 0.232 180 G C -0.294 174.477 174.900 -0.215 0.000 1.176 180 G CA -0.083 44.937 45.100 -0.134 0.000 0.968 180 G HN 0.865 nan 8.290 nan 0.000 0.583 181 E N 2.301 122.386 120.200 -0.190 0.000 2.360 181 E HA 0.438 4.800 4.350 0.020 0.000 0.269 181 E C 0.302 176.731 176.600 -0.286 0.000 1.022 181 E CA 0.107 56.367 56.400 -0.232 0.000 0.887 181 E CB 0.523 30.137 29.700 -0.143 0.000 0.990 181 E HN 0.489 nan 8.360 nan 0.000 0.426 182 N N 2.070 120.513 118.700 -0.429 0.000 2.525 182 N HA 0.367 5.119 4.740 0.020 0.000 0.270 182 N C -0.856 174.493 175.510 -0.269 0.000 1.321 182 N CA -0.724 52.081 53.050 -0.407 0.000 0.797 182 N CB 2.302 40.399 38.487 -0.651 0.000 1.529 182 N HN 0.141 nan 8.380 nan 0.000 0.491 183 R N 1.212 121.646 120.500 -0.110 0.000 2.439 183 R HA 0.503 4.855 4.340 0.020 0.000 0.310 183 R C -1.139 175.203 176.300 0.070 0.000 0.955 183 R CA -0.396 55.692 56.100 -0.019 0.000 0.853 183 R CB 0.836 31.096 30.300 -0.066 0.000 1.171 183 R HN 0.475 nan 8.270 nan 0.000 0.449 184 L N 3.164 124.467 121.223 0.134 0.000 2.325 184 L HA 0.702 5.054 4.340 0.020 0.000 0.279 184 L C -0.225 176.688 176.870 0.072 0.000 1.054 184 L CA -0.851 54.085 54.840 0.160 0.000 0.804 184 L CB 1.880 44.056 42.059 0.195 0.000 1.200 184 L HN 0.746 nan 8.230 nan 0.000 0.436 185 A N 3.656 126.529 122.820 0.088 0.000 2.319 185 A HA 0.752 5.084 4.320 0.020 0.000 0.310 185 A C -0.978 176.833 177.584 0.380 0.000 1.152 185 A CA -0.454 51.514 52.037 -0.116 0.000 0.783 185 A CB 1.434 19.945 19.000 -0.816 0.000 1.184 185 A HN 0.389 nan 8.150 nan 0.000 0.474 186 V N 3.274 123.613 119.914 0.709 0.000 2.443 186 V HA 0.445 4.577 4.120 0.020 0.000 0.293 186 V C -0.172 176.527 176.094 1.008 0.000 1.021 186 V CA -0.280 62.495 62.300 0.792 0.000 0.848 186 V CB 1.517 33.623 31.823 0.472 0.000 0.998 186 V HN 0.969 nan 8.190 nan 0.000 0.424 187 M N 6.000 126.190 119.600 0.983 0.000 2.080 187 M HA 0.520 5.012 4.480 0.020 0.000 0.350 187 M C -1.291 175.281 176.300 0.453 0.000 1.143 187 M CA -0.412 55.274 55.300 0.643 0.000 1.064 187 M CB 0.919 33.940 32.600 0.701 0.000 1.429 187 M HN 0.505 nan 8.290 nan 0.000 0.418 188 V N 6.656 126.814 119.914 0.407 0.000 2.383 188 V HA 0.354 4.486 4.120 0.020 0.000 0.275 188 V C -0.008 176.256 176.094 0.284 0.000 1.036 188 V CA -0.621 61.900 62.300 0.368 0.000 0.889 188 V CB 1.027 33.147 31.823 0.495 0.000 0.985 188 V HN 0.780 nan 8.190 nan 0.000 0.459 189 L N 4.686 125.984 121.223 0.125 0.000 2.312 189 L HA 0.509 4.861 4.340 0.020 0.000 0.281 189 L C 1.564 178.435 176.870 0.001 0.000 1.070 189 L CA -0.459 54.386 54.840 0.008 0.000 0.805 189 L CB 1.226 43.190 42.059 -0.159 0.000 1.174 189 L HN 0.624 nan 8.230 nan 0.000 0.434 190 R N 2.594 123.049 120.500 -0.075 0.000 2.081 190 R HA -0.065 4.287 4.340 0.020 0.000 0.235 190 R C -0.384 175.595 176.300 -0.534 0.000 1.131 190 R CA 1.363 57.173 56.100 -0.483 0.000 0.960 190 R CB 0.185 30.047 30.300 -0.731 0.000 0.856 190 R HN 0.571 nan 8.270 nan 0.000 0.436 191 W N -0.159 121.198 121.300 0.095 0.000 2.689 191 W HA 0.476 5.148 4.660 0.019 0.000 0.340 191 W C -0.421 176.201 176.519 0.170 0.000 1.060 191 W CA -0.763 56.645 57.345 0.105 0.000 1.218 191 W CB 1.792 31.316 29.460 0.107 0.000 1.410 191 W HN 0.017 nan 8.180 nan 0.000 0.528 192 S N -1.283 114.683 115.700 0.442 0.000 2.661 192 S HA 0.181 4.663 4.470 0.020 0.000 0.268 192 S C 0.018 174.848 174.600 0.384 0.000 1.162 192 S CA -0.452 58.017 58.200 0.450 0.000 0.817 192 S CB 1.101 64.535 63.200 0.390 0.000 1.141 192 S HN 0.638 nan 8.310 nan 0.000 0.477 193 D N 0.397 121.033 120.400 0.394 0.000 2.309 193 D HA 0.060 4.712 4.640 0.020 0.000 0.212 193 D C 1.744 178.345 176.300 0.503 0.000 0.968 193 D CA 1.233 55.514 54.000 0.468 0.000 0.882 193 D CB -0.657 40.308 40.800 0.275 0.000 0.918 193 D HN 0.702 nan 8.370 nan 0.000 0.503 194 G N 0.249 109.261 108.800 0.353 0.000 2.422 194 G HA2 -0.260 3.712 3.960 0.020 0.000 0.218 194 G HA3 -0.260 3.712 3.960 0.020 0.000 0.218 194 G C 1.707 176.782 174.900 0.293 0.000 1.140 194 G CA 0.711 45.997 45.100 0.310 0.000 0.775 194 G HN 0.327 nan 8.290 nan 0.000 0.545 195 S N 0.088 115.935 115.700 0.245 0.000 2.440 195 S HA -0.140 4.342 4.470 0.020 0.000 0.238 195 S C 1.893 176.592 174.600 0.164 0.000 1.010 195 S CA 0.860 59.184 58.200 0.206 0.000 0.972 195 S CB -0.448 62.887 63.200 0.224 0.000 0.774 195 S HN 0.561 nan 8.310 nan 0.000 0.501 196 Y N 1.315 121.748 120.300 0.221 0.000 2.333 196 Y HA 0.009 4.571 4.550 0.020 0.000 0.290 196 Y C 1.720 177.738 175.900 0.196 0.000 1.144 196 Y CA 0.710 58.865 58.100 0.092 0.000 1.228 196 Y CB -0.274 38.101 38.460 -0.143 0.000 0.985 196 Y HN 0.208 nan 8.280 nan 0.000 0.542 197 L N -0.273 121.154 121.223 0.340 0.000 2.628 197 L HA 0.084 4.436 4.340 0.020 0.000 0.229 197 L C 0.088 177.109 176.870 0.252 0.000 1.137 197 L CA 0.417 55.416 54.840 0.265 0.000 0.909 197 L CB -0.013 42.202 42.059 0.260 0.000 1.137 197 L HN 0.161 nan 8.230 nan 0.000 0.470 198 E N -0.296 120.068 120.200 0.273 0.000 3.105 198 E HA 0.040 4.402 4.350 0.020 0.000 0.219 198 E C -0.368 176.359 176.600 0.212 0.000 1.064 198 E CA -0.107 56.436 56.400 0.239 0.000 1.342 198 E CB 0.373 30.199 29.700 0.211 0.000 1.295 198 E HN 0.038 nan 8.360 nan 0.000 0.438 199 D N 1.255 121.744 120.400 0.150 0.000 2.413 199 D HA 0.005 4.657 4.640 0.020 0.000 0.237 199 D C -0.169 176.138 176.300 0.011 0.000 1.171 199 D CA 0.017 53.989 54.000 -0.046 0.000 0.839 199 D CB 0.088 40.628 40.800 -0.434 0.000 0.950 199 D HN 0.099 nan 8.370 nan 0.000 0.499 200 Q N 0.443 120.337 119.800 0.156 0.000 2.395 200 Q HA 0.077 4.429 4.340 0.020 0.000 0.271 200 Q C 0.028 176.139 176.000 0.186 0.000 1.026 200 Q CA 0.174 56.129 55.803 0.254 0.000 0.900 200 Q CB 0.547 29.586 28.738 0.503 0.000 1.266 200 Q HN 0.034 nan 8.270 nan 0.000 0.430 201 D N 3.120 123.650 120.400 0.218 0.000 2.498 201 D HA 0.176 4.828 4.640 0.020 0.000 0.229 201 D C -0.788 175.633 176.300 0.202 0.000 1.188 201 D CA 0.056 54.159 54.000 0.171 0.000 1.028 201 D CB -0.484 40.394 40.800 0.129 0.000 1.087 201 D HN 0.513 nan 8.370 nan 0.000 0.510 202 M N -0.076 119.608 119.600 0.140 0.000 2.949 202 M HA 0.414 4.906 4.480 0.020 0.000 0.270 202 M C -1.316 175.009 176.300 0.041 0.000 1.221 202 M CA -1.145 54.145 55.300 -0.017 0.000 0.818 202 M CB 1.074 33.602 32.600 -0.120 0.000 1.635 202 M HN -0.116 nan 8.290 nan 0.000 0.492 203 W N 2.047 123.392 121.300 0.075 0.000 2.231 203 W HA 0.272 4.944 4.660 0.020 0.000 0.341 203 W C 0.280 176.804 176.519 0.009 0.000 1.298 203 W CA 0.057 57.441 57.345 0.064 0.000 1.266 203 W CB 0.337 29.770 29.460 -0.044 0.000 1.172 203 W HN 0.321 nan 8.180 nan 0.000 0.568 204 R N 4.647 125.317 120.500 0.283 0.000 2.215 204 R HA 0.470 4.822 4.340 0.020 0.000 0.337 204 R C -0.271 176.045 176.300 0.026 0.000 1.010 204 R CA -0.364 55.823 56.100 0.144 0.000 0.871 204 R CB 0.469 30.918 30.300 0.249 0.000 1.134 204 R HN 0.548 nan 8.270 nan 0.000 0.477 205 M N 0.489 119.997 119.600 -0.153 0.000 2.745 205 M HA 0.507 4.999 4.480 0.020 0.000 0.290 205 M C -0.163 175.829 176.300 -0.513 0.000 1.262 205 M CA -0.804 54.300 55.300 -0.327 0.000 0.795 205 M CB 2.637 35.042 32.600 -0.326 0.000 1.758 205 M HN 0.696 nan 8.290 nan 0.000 0.461 206 S N -0.962 114.329 115.700 -0.681 0.000 2.643 206 S HA 0.980 5.462 4.470 0.020 0.000 0.270 206 S C -0.511 173.628 174.600 -0.768 0.000 1.166 206 S CA -0.143 57.577 58.200 -0.801 0.000 0.815 206 S CB 1.851 64.399 63.200 -1.087 0.000 1.139 206 S HN 1.481 nan 8.310 nan 0.000 0.472 207 G N -0.023 108.492 108.800 -0.474 0.000 2.373 207 G HA2 0.098 4.070 3.960 0.020 0.000 0.634 207 G HA3 0.098 4.070 3.960 0.020 0.000 0.634 207 G C -1.216 173.664 174.900 -0.033 0.000 1.267 207 G CA -0.571 44.519 45.100 -0.016 0.000 1.008 207 G HN 1.202 nan 8.290 nan 0.000 0.497 208 I N 2.135 122.567 120.570 -0.230 0.000 2.241 208 I HA 0.272 4.454 4.170 0.020 0.000 0.294 208 I C 1.297 177.287 176.117 -0.212 0.000 1.145 208 I CA -0.158 60.901 61.300 -0.402 0.000 1.261 208 I CB -0.300 37.179 38.000 -0.868 0.000 1.475 208 I HN 0.517 nan 8.210 nan 0.000 0.533 209 F N 3.892 123.688 119.950 -0.256 0.000 2.749 209 F HA 0.423 4.962 4.527 0.020 0.000 0.300 209 F C 0.835 176.554 175.800 -0.136 0.000 1.103 209 F CA -0.480 57.404 58.000 -0.193 0.000 1.342 209 F CB 0.102 38.995 39.000 -0.179 0.000 1.098 209 F HN 0.131 nan 8.300 nan 0.000 0.586 210 R N 0.659 120.812 120.500 -0.580 0.000 2.939 210 R HA 0.233 4.585 4.340 0.020 0.000 0.254 210 R C -0.673 175.442 176.300 -0.309 0.000 1.123 210 R CA -1.136 54.694 56.100 -0.450 0.000 1.020 210 R CB 0.805 30.730 30.300 -0.625 0.000 1.206 210 R HN -0.024 nan 8.270 nan 0.000 0.491 211 D N 0.701 120.965 120.400 -0.225 0.000 2.419 211 D HA 0.092 4.744 4.640 0.020 0.000 0.236 211 D C -0.471 175.688 176.300 -0.236 0.000 1.165 211 D CA 0.433 54.323 54.000 -0.183 0.000 0.882 211 D CB 0.659 41.388 40.800 -0.118 0.000 1.201 211 D HN -0.007 nan 8.370 nan 0.000 0.443 212 V N 0.761 120.537 119.914 -0.230 0.000 2.540 212 V HA 0.595 4.727 4.120 0.020 0.000 0.302 212 V C 0.137 176.093 176.094 -0.230 0.000 1.035 212 V CA -0.564 61.537 62.300 -0.333 0.000 0.873 212 V CB 1.525 33.151 31.823 -0.328 0.000 0.992 212 V HN 0.786 nan 8.190 nan 0.000 0.428 213 S N 4.657 120.197 115.700 -0.267 0.000 2.656 213 S HA 0.809 5.291 4.470 0.020 0.000 0.273 213 S C -1.494 173.035 174.600 -0.117 0.000 1.168 213 S CA -0.934 57.181 58.200 -0.140 0.000 0.817 213 S CB 1.802 64.954 63.200 -0.081 0.000 1.146 213 S HN 0.472 nan 8.310 nan 0.000 0.475 214 L N 1.179 122.401 121.223 -0.001 0.000 2.346 214 L HA 0.699 5.051 4.340 0.020 0.000 0.276 214 L C -1.454 175.564 176.870 0.246 0.000 1.006 214 L CA -0.910 54.011 54.840 0.136 0.000 0.817 214 L CB 1.746 43.939 42.059 0.223 0.000 1.272 214 L HN 0.750 nan 8.230 nan 0.000 0.421 215 L N 3.335 124.682 121.223 0.207 0.000 2.376 215 L HA 0.450 4.802 4.340 0.020 0.000 0.275 215 L C -0.674 176.206 176.870 0.017 0.000 0.987 215 L CA -0.186 54.716 54.840 0.102 0.000 0.828 215 L CB 1.329 43.416 42.059 0.045 0.000 1.249 215 L HN 0.486 nan 8.230 nan 0.000 0.409 216 H N 5.478 124.354 119.070 -0.323 0.000 2.552 216 H HA 0.488 5.057 4.556 0.020 0.000 0.311 216 H C -1.310 173.819 175.328 -0.332 0.000 1.071 216 H CA -0.435 55.314 56.048 -0.499 0.000 1.307 216 H CB 1.024 29.996 29.762 -1.318 0.000 1.416 216 H HN 0.549 nan 8.280 nan 0.000 0.464 217 K N 6.009 126.044 120.400 -0.609 0.000 2.328 217 K HA 0.374 4.706 4.320 0.020 0.000 0.246 217 K C -2.640 173.696 176.600 -0.439 0.000 0.955 217 K CA -2.026 54.033 56.287 -0.379 0.000 0.817 217 K CB 2.184 34.529 32.500 -0.259 0.000 1.208 217 K HN 0.491 nan 8.250 nan 0.000 0.432 218 P HA 0.137 nan 4.420 nan 0.000 0.274 218 P C 0.476 177.700 177.300 -0.127 0.000 1.256 218 P CA -0.169 62.859 63.100 -0.119 0.000 0.795 218 P CB 0.447 32.121 31.700 -0.045 0.000 1.038 219 T N -1.263 113.245 114.554 -0.077 0.000 2.777 219 T HA -0.029 4.333 4.350 0.020 0.000 0.266 219 T C 0.597 175.256 174.700 -0.069 0.000 1.040 219 T CA 1.536 63.595 62.100 -0.067 0.000 1.141 219 T CB -0.595 68.253 68.868 -0.034 0.000 0.868 219 T HN 0.430 nan 8.240 nan 0.000 0.444 220 T N 3.961 118.482 114.554 -0.055 0.000 2.727 220 T HA 0.422 4.784 4.350 0.020 0.000 0.298 220 T C -0.150 174.505 174.700 -0.075 0.000 0.942 220 T CA -0.556 61.506 62.100 -0.064 0.000 0.997 220 T CB 0.473 69.322 68.868 -0.031 0.000 0.917 220 T HN 0.465 nan 8.240 nan 0.000 0.487 221 Q N 2.531 122.268 119.800 -0.106 0.000 2.615 221 Q HA 0.632 4.984 4.340 0.020 0.000 0.298 221 Q C -1.165 174.754 176.000 -0.134 0.000 1.023 221 Q CA -1.202 54.525 55.803 -0.127 0.000 0.768 221 Q CB 1.433 30.072 28.738 -0.165 0.000 1.500 221 Q HN 0.436 nan 8.270 nan 0.000 0.441 222 I N 2.224 122.686 120.570 -0.181 0.000 2.371 222 I HA 0.061 4.243 4.170 0.020 0.000 0.290 222 I C 0.610 176.596 176.117 -0.220 0.000 1.028 222 I CA -0.101 61.103 61.300 -0.161 0.000 1.345 222 I CB 1.312 39.179 38.000 -0.221 0.000 1.407 222 I HN 0.867 nan 8.210 nan 0.000 0.501 223 S N 2.483 118.162 115.700 -0.034 0.000 2.523 223 S HA 0.241 4.723 4.470 0.020 0.000 0.217 223 S C 0.017 174.816 174.600 0.331 0.000 0.996 223 S CA -0.323 57.936 58.200 0.098 0.000 0.921 223 S CB 0.166 63.391 63.200 0.041 0.000 0.829 223 S HN 0.744 nan 8.310 nan 0.000 0.495 224 D N -0.220 120.383 120.400 0.339 0.000 2.884 224 D HA 0.450 5.102 4.640 0.020 0.000 0.255 224 D C -1.901 174.546 176.300 0.244 0.000 1.142 224 D CA -0.694 53.492 54.000 0.311 0.000 0.726 224 D CB 1.008 41.871 40.800 0.106 0.000 1.436 224 D HN 0.195 nan 8.370 nan 0.000 0.441 225 F N -0.224 119.730 119.950 0.007 0.000 2.635 225 F HA 0.637 5.176 4.527 0.020 0.000 0.314 225 F C -1.740 174.036 175.800 -0.040 0.000 1.119 225 F CA -0.710 57.231 58.000 -0.098 0.000 1.000 225 F CB 1.189 40.203 39.000 0.022 0.000 1.278 225 F HN 0.294 nan 8.300 nan 0.000 0.446 226 H N 2.239 121.357 119.070 0.079 0.000 2.589 226 H HA 0.730 5.299 4.556 0.021 0.000 0.351 226 H C -1.284 174.077 175.328 0.054 0.000 1.074 226 H CA -1.508 54.524 56.048 -0.027 0.000 1.203 226 H CB 2.521 32.261 29.762 -0.037 0.000 1.558 226 H HN 0.623 nan 8.280 nan 0.000 0.522 227 V N 2.442 122.442 119.914 0.143 0.000 2.384 227 V HA 0.630 4.762 4.120 0.020 0.000 0.287 227 V C -0.066 176.019 176.094 -0.015 0.000 1.020 227 V CA -0.560 61.784 62.300 0.075 0.000 0.850 227 V CB 1.091 32.964 31.823 0.083 0.000 0.987 227 V HN 0.923 nan 8.190 nan 0.000 0.436 228 A N 3.492 126.285 122.820 -0.044 0.000 2.374 228 A HA 0.941 5.273 4.320 0.020 0.000 0.317 228 A C -0.028 177.454 177.584 -0.170 0.000 1.094 228 A CA -0.511 51.475 52.037 -0.084 0.000 0.765 228 A CB 1.846 20.817 19.000 -0.048 0.000 1.268 228 A HN 0.930 nan 8.150 nan 0.000 0.438 229 T N -0.005 114.423 114.554 -0.210 0.000 2.906 229 T HA 0.670 5.032 4.350 0.020 0.000 0.302 229 T C -0.559 173.936 174.700 -0.341 0.000 1.002 229 T CA -0.654 61.226 62.100 -0.368 0.000 0.988 229 T CB 0.687 69.185 68.868 -0.617 0.000 0.972 229 T HN 0.684 nan 8.240 nan 0.000 0.447 230 R N 2.233 122.474 120.500 -0.432 0.000 2.664 230 R HA 0.769 5.121 4.340 0.020 0.000 0.286 230 R C -1.066 174.859 176.300 -0.625 0.000 0.967 230 R CA -0.752 55.162 56.100 -0.311 0.000 0.933 230 R CB 1.489 31.714 30.300 -0.126 0.000 1.146 230 R HN 0.521 nan 8.270 nan 0.000 0.468 231 F N 0.421 120.353 119.950 -0.030 0.000 2.618 231 F HA 0.342 4.880 4.527 0.018 0.000 0.332 231 F C 0.731 176.396 175.800 -0.224 0.000 1.061 231 F CA -1.024 56.902 58.000 -0.123 0.000 0.974 231 F CB 0.923 39.752 39.000 -0.285 0.000 1.310 231 F HN 0.540 nan 8.300 nan 0.000 0.491 232 N N -0.168 118.509 118.700 -0.040 0.000 2.431 232 N HA 0.077 4.829 4.740 0.020 0.000 0.289 232 N C 0.429 175.789 175.510 -0.251 0.000 1.277 232 N CA -0.111 52.877 53.050 -0.103 0.000 0.972 232 N CB -0.126 38.331 38.487 -0.050 0.000 1.143 232 N HN 0.649 nan 8.380 nan 0.000 0.578 233 D N -1.176 119.129 120.400 -0.158 0.000 2.123 233 D HA -0.242 4.410 4.640 0.020 0.000 0.196 233 D C 0.278 176.494 176.300 -0.141 0.000 0.992 233 D CA 1.718 55.626 54.000 -0.154 0.000 0.833 233 D CB -0.614 40.157 40.800 -0.047 0.000 0.954 233 D HN 0.726 nan 8.370 nan 0.000 0.455 234 D N -1.575 118.808 120.400 -0.028 0.000 2.463 234 D HA 0.041 4.693 4.640 0.020 0.000 0.224 234 D C -0.021 176.469 176.300 0.318 0.000 1.174 234 D CA -1.032 53.069 54.000 0.168 0.000 0.829 234 D CB -1.137 39.748 40.800 0.142 0.000 0.993 234 D HN 0.234 nan 8.370 nan 0.000 0.497 235 F N 0.399 120.417 119.950 0.113 0.000 3.069 235 F HA -0.301 4.237 4.527 0.019 0.000 0.285 235 F C 1.643 177.539 175.800 0.161 0.000 0.827 235 F CA 0.859 58.951 58.000 0.155 0.000 1.108 235 F CB -2.511 36.481 39.000 -0.014 0.000 1.252 235 F HN 0.209 nan 8.300 nan 0.000 0.483 236 S N -1.437 114.391 115.700 0.214 0.000 2.501 236 S HA 0.226 4.708 4.470 0.020 0.000 0.220 236 S C 0.676 175.340 174.600 0.107 0.000 0.997 236 S CA 0.092 58.378 58.200 0.144 0.000 0.919 236 S CB 0.384 63.639 63.200 0.093 0.000 0.778 236 S HN 0.471 nan 8.310 nan 0.000 0.523 237 R N 0.275 120.842 120.500 0.112 0.000 2.621 237 R HA 0.784 5.136 4.340 0.020 0.000 0.284 237 R C -1.252 175.070 176.300 0.037 0.000 0.998 237 R CA -0.251 55.880 56.100 0.050 0.000 0.895 237 R CB 2.233 32.540 30.300 0.012 0.000 1.195 237 R HN 0.266 nan 8.270 nan 0.000 0.450 238 A N 1.845 124.634 122.820 -0.052 0.000 2.479 238 A HA 0.759 5.091 4.320 0.020 0.000 0.296 238 A C -1.189 176.313 177.584 -0.137 0.000 1.121 238 A CA -0.678 51.242 52.037 -0.196 0.000 0.743 238 A CB 1.943 20.765 19.000 -0.297 0.000 1.323 238 A HN 0.360 nan 8.150 nan 0.000 0.415 239 V N 1.458 121.265 119.914 -0.179 0.000 2.378 239 V HA 0.398 4.530 4.120 0.020 0.000 0.288 239 V C -0.469 175.560 176.094 -0.109 0.000 1.016 239 V CA -0.297 61.936 62.300 -0.110 0.000 0.840 239 V CB 1.189 32.950 31.823 -0.104 0.000 0.994 239 V HN 0.768 nan 8.190 nan 0.000 0.431 240 L N 4.926 126.125 121.223 -0.040 0.000 2.265 240 L HA 0.586 4.938 4.340 0.020 0.000 0.288 240 L C 0.050 176.883 176.870 -0.062 0.000 1.058 240 L CA 0.180 54.977 54.840 -0.071 0.000 0.809 240 L CB 0.945 43.009 42.059 0.008 0.000 1.179 240 L HN 0.796 nan 8.230 nan 0.000 0.429 241 E N 4.701 124.859 120.200 -0.069 0.000 2.176 241 E HA 0.695 5.057 4.350 0.020 0.000 0.267 241 E C -1.576 175.023 176.600 -0.001 0.000 0.893 241 E CA -0.841 55.539 56.400 -0.033 0.000 0.761 241 E CB 1.711 31.389 29.700 -0.037 0.000 1.133 241 E HN 0.730 nan 8.360 nan 0.000 0.409 242 A N 4.574 127.403 122.820 0.015 0.000 2.353 242 A HA 0.305 4.637 4.320 0.020 0.000 0.299 242 A C -0.856 176.757 177.584 0.048 0.000 1.089 242 A CA -0.709 51.362 52.037 0.057 0.000 0.736 242 A CB 1.239 20.280 19.000 0.068 0.000 1.195 242 A HN 0.741 nan 8.150 nan 0.000 0.447 243 E N 2.650 122.889 120.200 0.066 0.000 2.146 243 E HA 0.536 4.898 4.350 0.020 0.000 0.282 243 E C -1.366 175.224 176.600 -0.017 0.000 0.989 243 E CA -0.337 56.070 56.400 0.012 0.000 0.799 243 E CB 1.046 30.753 29.700 0.011 0.000 1.088 243 E HN 0.371 nan 8.360 nan 0.000 0.397 244 V N 5.111 125.036 119.914 0.018 0.000 2.540 244 V HA 0.301 4.433 4.120 0.020 0.000 0.302 244 V C -0.375 175.808 176.094 0.148 0.000 1.035 244 V CA -0.803 61.550 62.300 0.087 0.000 0.873 244 V CB 1.634 33.506 31.823 0.080 0.000 0.992 244 V HN 0.739 nan 8.190 nan 0.000 0.428 245 Q N 4.287 124.148 119.800 0.102 0.000 2.387 245 Q HA 0.874 5.226 4.340 0.020 0.000 0.273 245 Q C -0.894 175.106 176.000 -0.000 0.000 1.089 245 Q CA -0.979 54.850 55.803 0.044 0.000 0.824 245 Q CB 2.904 31.613 28.738 -0.048 0.000 1.367 245 Q HN 0.812 nan 8.270 nan 0.000 0.443 246 M N -1.119 118.362 119.600 -0.198 0.000 2.691 246 M HA 0.786 5.278 4.480 0.020 0.000 0.293 246 M C -1.442 174.726 176.300 -0.218 0.000 1.259 246 M CA -0.506 54.632 55.300 -0.271 0.000 0.827 246 M CB 1.718 33.929 32.600 -0.648 0.000 1.753 246 M HN 0.550 nan 8.290 nan 0.000 0.465 247 C N 0.729 119.925 119.300 -0.174 0.000 2.626 247 C HA 1.036 5.508 4.460 0.020 0.000 0.310 247 C C 0.548 175.460 174.990 -0.130 0.000 1.191 247 C CA 0.439 59.381 59.018 -0.127 0.000 1.517 247 C CB 0.799 28.495 27.740 -0.073 0.000 2.102 247 C HN 1.416 nan 8.230 nan 0.000 0.479 248 G N 2.208 110.943 108.800 -0.109 0.000 2.318 248 G HA2 0.174 4.146 3.960 0.020 0.000 0.367 248 G HA3 0.174 4.146 3.960 0.020 0.000 0.367 248 G C -1.148 173.692 174.900 -0.100 0.000 1.260 248 G CA -0.257 44.788 45.100 -0.092 0.000 1.055 248 G HN 0.976 nan 8.290 nan 0.000 0.484 249 E N -0.078 120.072 120.200 -0.084 0.000 2.227 249 E HA 0.607 4.969 4.350 0.020 0.000 0.282 249 E C 0.250 176.772 176.600 -0.131 0.000 1.015 249 E CA -0.737 55.610 56.400 -0.088 0.000 0.823 249 E CB 0.892 30.559 29.700 -0.054 0.000 1.081 249 E HN 0.577 nan 8.360 nan 0.000 0.396 250 L N 4.602 125.739 121.223 -0.145 0.000 2.417 250 L HA 0.427 4.779 4.340 0.020 0.000 0.268 250 L C 0.340 177.100 176.870 -0.184 0.000 1.158 250 L CA -0.267 54.470 54.840 -0.172 0.000 0.819 250 L CB 0.558 42.531 42.059 -0.143 0.000 1.112 250 L HN 0.639 nan 8.230 nan 0.000 0.458 251 R N 1.340 121.680 120.500 -0.267 0.000 2.643 251 R HA 0.135 4.487 4.340 0.020 0.000 0.269 251 R C -0.316 175.735 176.300 -0.415 0.000 1.037 251 R CA -0.782 55.064 56.100 -0.423 0.000 0.894 251 R CB 1.520 31.302 30.300 -0.863 0.000 1.238 251 R HN 0.541 nan 8.270 nan 0.000 0.459 252 D N 0.880 121.116 120.400 -0.272 0.000 2.190 252 D HA -0.195 4.457 4.640 0.020 0.000 0.200 252 D C 1.575 177.830 176.300 -0.074 0.000 0.992 252 D CA 1.867 55.800 54.000 -0.112 0.000 0.854 252 D CB 0.015 40.811 40.800 -0.007 0.000 0.936 252 D HN 0.588 nan 8.370 nan 0.000 0.462 253 Y N -0.292 120.023 120.300 0.025 0.000 2.546 253 Y HA 0.266 4.829 4.550 0.020 0.000 0.287 253 Y C 0.642 176.546 175.900 0.007 0.000 1.158 253 Y CA -0.464 57.646 58.100 0.017 0.000 1.307 253 Y CB -0.922 37.550 38.460 0.020 0.000 1.036 253 Y HN -0.176 nan 8.280 nan 0.000 0.532 254 L N 2.790 123.928 121.223 -0.142 0.000 2.483 254 L HA 0.187 4.539 4.340 0.020 0.000 0.276 254 L C 0.221 177.050 176.870 -0.069 0.000 1.213 254 L CA 0.284 55.117 54.840 -0.010 0.000 0.843 254 L CB 0.304 42.391 42.059 0.046 0.000 1.107 254 L HN 0.205 nan 8.230 nan 0.000 0.487 255 R N 1.902 122.261 120.500 -0.234 0.000 2.774 255 R HA 0.653 5.005 4.340 0.020 0.000 0.272 255 R C -1.502 174.387 176.300 -0.685 0.000 1.000 255 R CA -0.779 54.996 56.100 -0.540 0.000 0.906 255 R CB 2.213 31.990 30.300 -0.872 0.000 1.227 255 R HN 0.266 nan 8.270 nan 0.000 0.468 256 V N 1.171 120.720 119.914 -0.607 0.000 2.588 256 V HA 0.511 4.643 4.120 0.020 0.000 0.304 256 V C -0.377 175.633 176.094 -0.140 0.000 1.042 256 V CA -0.522 61.538 62.300 -0.400 0.000 0.877 256 V CB 2.322 33.869 31.823 -0.459 0.000 0.996 256 V HN 0.723 nan 8.190 nan 0.000 0.425 257 T N 4.130 118.729 114.554 0.075 0.000 2.807 257 T HA 0.612 4.974 4.350 0.020 0.000 0.279 257 T C -0.619 174.098 174.700 0.028 0.000 0.993 257 T CA -0.395 61.775 62.100 0.116 0.000 0.970 257 T CB 1.677 70.658 68.868 0.188 0.000 0.950 257 T HN 0.332 nan 8.240 nan 0.000 0.441 258 V N 3.814 123.728 119.914 -0.001 0.000 2.409 258 V HA 0.688 4.820 4.120 0.020 0.000 0.291 258 V C 0.066 176.166 176.094 0.010 0.000 1.020 258 V CA -0.726 61.570 62.300 -0.007 0.000 0.848 258 V CB 1.562 33.369 31.823 -0.025 0.000 0.990 258 V HN 1.058 nan 8.190 nan 0.000 0.430 259 S N 5.239 120.970 115.700 0.051 0.000 2.600 259 S HA 0.895 5.377 4.470 0.020 0.000 0.300 259 S C -1.152 173.486 174.600 0.063 0.000 1.087 259 S CA -0.818 57.404 58.200 0.036 0.000 0.965 259 S CB 2.261 65.515 63.200 0.091 0.000 1.089 259 S HN 0.558 nan 8.310 nan 0.000 0.496 260 L N 1.662 122.803 121.223 -0.136 0.000 2.381 260 L HA 0.789 5.141 4.340 0.020 0.000 0.274 260 L C -2.120 174.571 176.870 -0.299 0.000 0.988 260 L CA -0.319 54.504 54.840 -0.029 0.000 0.824 260 L CB 1.151 43.223 42.059 0.022 0.000 1.263 260 L HN 0.900 nan 8.230 nan 0.000 0.410 261 W N 3.381 124.786 121.300 0.174 0.000 2.736 261 W HA 0.610 5.282 4.660 0.020 0.000 0.335 261 W C -0.580 176.008 176.519 0.114 0.000 1.059 261 W CA -0.541 56.877 57.345 0.121 0.000 1.226 261 W CB 1.522 31.005 29.460 0.038 0.000 1.416 261 W HN 0.390 nan 8.180 nan 0.000 0.505 262 Q N 2.429 122.326 119.800 0.163 0.000 2.506 262 Q HA 0.511 4.863 4.340 0.020 0.000 0.242 262 Q C 0.605 176.619 176.000 0.023 0.000 1.060 262 Q CA 0.403 56.119 55.803 -0.144 0.000 0.826 262 Q CB 0.453 28.976 28.738 -0.357 0.000 1.169 262 Q HN 0.746 nan 8.270 nan 0.000 0.521 263 G N 3.258 112.097 108.800 0.064 0.000 2.583 263 G HA2 -0.355 3.617 3.960 0.020 0.000 0.292 263 G HA3 -0.355 3.617 3.960 0.020 0.000 0.292 263 G C 0.585 175.582 174.900 0.162 0.000 1.203 263 G CA 0.283 45.423 45.100 0.068 0.000 0.987 263 G HN 0.569 nan 8.290 nan 0.000 0.554 264 E N 1.043 121.313 120.200 0.116 0.000 2.268 264 E HA 0.011 4.373 4.350 0.020 0.000 0.195 264 E C 1.495 178.324 176.600 0.381 0.000 0.995 264 E CA 1.352 57.840 56.400 0.146 0.000 0.836 264 E CB -0.529 29.211 29.700 0.067 0.000 0.763 264 E HN 0.526 nan 8.360 nan 0.000 0.491 265 T N 2.381 117.120 114.554 0.308 0.000 2.761 265 T HA 0.092 4.454 4.350 0.020 0.000 0.296 265 T C 0.336 175.107 174.700 0.119 0.000 0.934 265 T CA -0.225 62.006 62.100 0.218 0.000 1.091 265 T CB 1.100 70.008 68.868 0.067 0.000 0.896 265 T HN 0.034 nan 8.240 nan 0.000 0.515 266 Q N 3.746 123.345 119.800 -0.333 0.000 2.344 266 Q HA 0.190 4.542 4.340 0.020 0.000 0.253 266 Q C 0.371 176.003 176.000 -0.613 0.000 1.050 266 Q CA -0.365 54.627 55.803 -1.353 0.000 0.912 266 Q CB 0.511 28.180 28.738 -1.782 0.000 1.258 266 Q HN 0.549 nan 8.270 nan 0.000 0.443 267 V N 3.280 122.909 119.914 -0.476 0.000 2.649 267 V HA 0.150 4.282 4.120 0.020 0.000 0.248 267 V C 0.548 176.509 176.094 -0.220 0.000 1.054 267 V CA 1.469 63.640 62.300 -0.215 0.000 1.073 267 V CB -0.036 31.771 31.823 -0.027 0.000 0.699 267 V HN 0.836 nan 8.190 nan 0.000 0.463 268 A N -1.322 121.323 122.820 -0.290 0.000 2.586 268 A HA 0.743 5.075 4.320 0.020 0.000 0.291 268 A C -0.744 176.718 177.584 -0.205 0.000 1.062 268 A CA 0.226 52.144 52.037 -0.199 0.000 0.666 268 A CB 1.700 20.627 19.000 -0.122 0.000 1.281 268 A HN 0.184 nan 8.150 nan 0.000 0.421 269 S N -0.809 114.811 115.700 -0.133 0.000 2.543 269 S HA 0.802 5.284 4.470 0.020 0.000 0.274 269 S C -0.610 173.956 174.600 -0.057 0.000 1.149 269 S CA 0.333 58.477 58.200 -0.094 0.000 0.866 269 S CB 1.462 64.600 63.200 -0.103 0.000 1.111 269 S HN 2.508 nan 8.310 nan 0.000 0.457 270 G N 1.471 110.251 108.800 -0.035 0.000 2.733 270 G HA2 0.647 4.619 3.960 0.020 0.000 0.297 270 G HA3 0.647 4.619 3.960 0.020 0.000 0.297 270 G C -1.456 173.435 174.900 -0.015 0.000 1.422 270 G CA -0.466 44.616 45.100 -0.029 0.000 0.942 270 G HN 0.775 nan 8.290 nan 0.000 0.510 271 T N -0.097 114.449 114.554 -0.013 0.000 2.886 271 T HA 0.834 5.196 4.350 0.020 0.000 0.292 271 T C -0.298 174.373 174.700 -0.048 0.000 1.012 271 T CA -0.064 62.034 62.100 -0.002 0.000 0.982 271 T CB 1.760 70.667 68.868 0.065 0.000 1.018 271 T HN 1.513 nan 8.240 nan 0.000 0.451 272 A N 3.738 126.490 122.820 -0.112 0.000 2.606 272 A HA 0.948 5.280 4.320 0.020 0.000 0.293 272 A C -3.083 174.356 177.584 -0.241 0.000 1.082 272 A CA -1.713 50.239 52.037 -0.141 0.000 0.685 272 A CB 1.389 20.310 19.000 -0.133 0.000 1.284 272 A HN 0.532 nan 8.150 nan 0.000 0.408 273 P HA 0.526 nan 4.420 nan 0.000 0.278 273 P C -0.592 176.553 177.300 -0.259 0.000 1.266 273 P CA -0.374 62.602 63.100 -0.206 0.000 0.807 273 P CB 0.331 31.986 31.700 -0.076 0.000 1.094 274 F N 0.076 119.986 119.950 -0.067 0.000 2.506 274 F HA 0.433 4.972 4.527 0.019 0.000 0.351 274 F C 1.494 177.279 175.800 -0.026 0.000 1.136 274 F CA 1.637 59.608 58.000 -0.049 0.000 1.298 274 F CB 0.124 39.090 39.000 -0.057 0.000 1.145 274 F HN 0.558 nan 8.300 nan 0.000 0.593 275 G N 1.830 110.757 108.800 0.211 0.000 2.789 275 G HA2 0.348 4.320 3.960 0.020 0.000 0.353 275 G HA3 0.348 4.320 3.960 0.020 0.000 0.353 275 G C -0.508 174.448 174.900 0.093 0.000 1.220 275 G CA -0.740 44.435 45.100 0.124 0.000 1.204 275 G HN 1.042 nan 8.290 nan 0.000 0.574 276 G N 0.551 109.427 108.800 0.127 0.000 2.557 276 G HA2 0.697 4.669 3.960 0.020 0.000 0.292 276 G HA3 0.697 4.669 3.960 0.020 0.000 0.292 276 G C 0.251 175.201 174.900 0.083 0.000 1.237 276 G CA -0.340 44.830 45.100 0.117 0.000 0.978 276 G HN 0.867 nan 8.290 nan 0.000 0.498 277 E N -0.921 119.324 120.200 0.075 0.000 2.371 277 E HA 0.308 4.670 4.350 0.020 0.000 0.257 277 E C -0.081 176.547 176.600 0.047 0.000 1.134 277 E CA -0.427 56.002 56.400 0.049 0.000 0.919 277 E CB 1.198 30.924 29.700 0.043 0.000 1.025 277 E HN 0.295 nan 8.360 nan 0.000 0.438 278 I N 2.101 122.686 120.570 0.024 0.000 2.618 278 I HA -0.036 4.146 4.170 0.020 0.000 0.284 278 I C 0.956 177.081 176.117 0.014 0.000 1.146 278 I CA 0.387 61.692 61.300 0.008 0.000 1.425 278 I CB 0.258 38.258 38.000 0.000 0.000 1.383 278 I HN 0.620 nan 8.210 nan 0.000 0.562 279 I N 1.490 122.061 120.570 0.002 0.000 4.032 279 I HA 0.293 4.475 4.170 0.020 0.000 0.313 279 I C -0.093 176.023 176.117 -0.001 0.000 1.272 279 I CA 0.076 61.386 61.300 0.017 0.000 1.307 279 I CB 0.335 38.370 38.000 0.058 0.000 1.155 279 I HN 0.569 nan 8.210 nan 0.000 0.431 280 D N -0.381 120.004 120.400 -0.025 0.000 2.812 280 D HA 0.253 4.905 4.640 0.020 0.000 0.318 280 D C 0.301 176.584 176.300 -0.027 0.000 1.234 280 D CA -0.568 53.418 54.000 -0.023 0.000 0.989 280 D CB 0.494 41.279 40.800 -0.025 0.000 1.442 280 D HN -0.137 nan 8.370 nan 0.000 0.537 281 E N -1.043 119.144 120.200 -0.023 0.000 2.265 281 E HA -0.025 4.337 4.350 0.020 0.000 0.196 281 E C 1.331 177.912 176.600 -0.031 0.000 0.996 281 E CA 0.766 57.153 56.400 -0.022 0.000 0.832 281 E CB -0.003 29.687 29.700 -0.017 0.000 0.756 281 E HN 0.189 nan 8.360 nan 0.000 0.491 282 R N -0.264 120.209 120.500 -0.044 0.000 2.310 282 R HA 0.226 4.578 4.340 0.020 0.000 0.202 282 R C 0.971 177.226 176.300 -0.075 0.000 0.933 282 R CA 0.734 56.799 56.100 -0.058 0.000 1.054 282 R CB 0.082 30.341 30.300 -0.069 0.000 0.985 282 R HN 0.240 nan 8.270 nan 0.000 0.489 283 G N -0.608 108.151 108.800 -0.068 0.000 2.578 283 G HA2 -0.193 3.779 3.960 0.020 0.000 0.232 283 G HA3 -0.193 3.779 3.960 0.020 0.000 0.232 283 G C 0.037 174.881 174.900 -0.094 0.000 1.176 283 G CA -0.476 44.584 45.100 -0.066 0.000 0.968 283 G HN 0.594 nan 8.290 nan 0.000 0.583 284 G N -2.160 106.574 108.800 -0.110 0.000 2.921 284 G HA2 0.643 4.615 3.960 0.020 0.000 0.291 284 G HA3 0.643 4.615 3.960 0.020 0.000 0.291 284 G C -1.493 173.278 174.900 -0.215 0.000 1.370 284 G CA -0.543 44.478 45.100 -0.132 0.000 0.847 284 G HN 0.841 nan 8.290 nan 0.000 0.532 285 Y N 1.240 121.552 120.300 0.020 0.000 2.486 285 Y HA 0.395 4.956 4.550 0.019 0.000 0.348 285 Y C 1.562 177.480 175.900 0.031 0.000 1.000 285 Y CA 0.354 58.467 58.100 0.021 0.000 1.253 285 Y CB 1.555 40.033 38.460 0.031 0.000 1.140 285 Y HN 0.566 nan 8.280 nan 0.000 0.526 286 A N 2.083 124.970 122.820 0.111 0.000 2.015 286 A HA -0.151 4.181 4.320 0.020 0.000 0.219 286 A C 1.414 179.052 177.584 0.090 0.000 1.163 286 A CA 1.500 53.585 52.037 0.081 0.000 0.646 286 A CB -0.249 18.761 19.000 0.017 0.000 0.806 286 A HN 0.794 nan 8.150 nan 0.000 0.448 287 D N -0.818 119.625 120.400 0.073 0.000 2.427 287 D HA 0.168 4.820 4.640 0.020 0.000 0.224 287 D C 0.404 176.685 176.300 -0.032 0.000 1.157 287 D CA -0.085 53.848 54.000 -0.112 0.000 0.828 287 D CB -0.045 40.681 40.800 -0.124 0.000 0.974 287 D HN 0.413 nan 8.370 nan 0.000 0.498 288 R N -0.958 119.700 120.500 0.263 0.000 2.799 288 R HA 0.760 5.112 4.340 0.020 0.000 0.270 288 R C -1.632 174.879 176.300 0.352 0.000 1.010 288 R CA -1.167 55.121 56.100 0.313 0.000 0.916 288 R CB 2.969 33.310 30.300 0.069 0.000 1.228 288 R HN -0.033 nan 8.270 nan 0.000 0.469 289 V N 0.338 120.360 119.914 0.180 0.000 2.924 289 V HA 0.425 4.557 4.120 0.020 0.000 0.300 289 V C -1.579 174.505 176.094 -0.017 0.000 1.227 289 V CA -0.290 62.016 62.300 0.010 0.000 0.954 289 V CB 2.681 34.377 31.823 -0.212 0.000 1.055 289 V HN 0.808 nan 8.190 nan 0.000 0.429 290 T N 7.611 122.154 114.554 -0.019 0.000 2.786 290 T HA 0.593 4.955 4.350 0.020 0.000 0.283 290 T C -0.861 173.819 174.700 -0.032 0.000 0.992 290 T CA -0.373 61.718 62.100 -0.015 0.000 0.954 290 T CB 0.923 69.793 68.868 0.004 0.000 0.934 290 T HN 0.405 nan 8.240 nan 0.000 0.440 291 L N 3.925 125.127 121.223 -0.035 0.000 2.322 291 L HA 0.613 4.965 4.340 0.020 0.000 0.279 291 L C 0.400 177.254 176.870 -0.028 0.000 1.036 291 L CA -0.517 54.300 54.840 -0.039 0.000 0.807 291 L CB 1.470 43.503 42.059 -0.044 0.000 1.226 291 L HN 0.593 nan 8.230 nan 0.000 0.433 292 R N 4.075 124.556 120.500 -0.031 0.000 2.561 292 R HA 0.769 5.121 4.340 0.020 0.000 0.297 292 R C -1.296 174.983 176.300 -0.035 0.000 0.969 292 R CA -0.772 55.309 56.100 -0.032 0.000 0.879 292 R CB 2.026 32.307 30.300 -0.032 0.000 1.178 292 R HN 0.434 nan 8.270 nan 0.000 0.445 293 L N 2.512 123.714 121.223 -0.034 0.000 2.381 293 L HA 0.441 4.793 4.340 0.020 0.000 0.274 293 L C -0.395 176.451 176.870 -0.041 0.000 0.988 293 L CA -1.119 53.699 54.840 -0.037 0.000 0.824 293 L CB 1.878 43.917 42.059 -0.033 0.000 1.263 293 L HN 0.504 nan 8.230 nan 0.000 0.410 294 N N 2.307 120.977 118.700 -0.050 0.000 2.520 294 N HA 0.325 5.077 4.740 0.020 0.000 0.273 294 N C -0.807 174.658 175.510 -0.076 0.000 1.155 294 N CA -0.203 52.812 53.050 -0.058 0.000 0.967 294 N CB 2.607 41.062 38.487 -0.054 0.000 1.092 294 N HN 0.199 nan 8.380 nan 0.000 0.457 295 V N 2.316 122.172 119.914 -0.097 0.000 2.444 295 V HA 0.158 4.290 4.120 0.020 0.000 0.294 295 V C -0.172 175.841 176.094 -0.134 0.000 1.022 295 V CA -0.805 61.398 62.300 -0.162 0.000 0.850 295 V CB 1.826 33.445 31.823 -0.339 0.000 0.992 295 V HN 0.485 nan 8.190 nan 0.000 0.426 296 E N 4.141 124.284 120.200 -0.096 0.000 2.249 296 E HA 0.342 4.704 4.350 0.020 0.000 0.280 296 E C 0.237 176.812 176.600 -0.042 0.000 1.016 296 E CA -0.310 56.057 56.400 -0.054 0.000 0.830 296 E CB 0.628 30.307 29.700 -0.034 0.000 1.081 296 E HN 0.653 nan 8.360 nan 0.000 0.395 297 N N 0.928 119.626 118.700 -0.003 0.000 2.740 297 N HA -0.121 4.631 4.740 0.020 0.000 0.248 297 N C -2.332 173.181 175.510 0.005 0.000 1.062 297 N CA 0.294 53.357 53.050 0.022 0.000 0.704 297 N CB -1.505 36.995 38.487 0.021 0.000 0.968 297 N HN 0.328 nan 8.380 nan 0.000 0.547 298 P HA -0.030 nan 4.420 nan 0.000 0.265 298 P C 0.243 177.575 177.300 0.052 0.000 1.187 298 P CA 0.636 63.645 63.100 -0.152 0.000 0.766 298 P CB 0.616 32.145 31.700 -0.286 0.000 0.820 299 K N 3.110 123.611 120.400 0.168 0.000 2.285 299 K HA 0.282 4.614 4.320 0.020 0.000 0.286 299 K C 0.186 176.949 176.600 0.271 0.000 1.072 299 K CA -0.431 55.966 56.287 0.183 0.000 0.913 299 K CB 0.343 32.927 32.500 0.140 0.000 1.067 299 K HN 0.450 nan 8.250 nan 0.000 0.479 300 L N 2.377 123.693 121.223 0.156 0.000 2.417 300 L HA 0.259 4.611 4.340 0.020 0.000 0.268 300 L C 0.173 177.116 176.870 0.123 0.000 1.158 300 L CA -0.785 54.148 54.840 0.154 0.000 0.819 300 L CB 0.357 42.372 42.059 -0.073 0.000 1.112 300 L HN 0.574 nan 8.230 nan 0.000 0.458 301 W N 3.356 124.688 121.300 0.053 0.000 2.365 301 W HA 0.458 5.129 4.660 0.019 0.000 0.316 301 W C 0.039 176.510 176.519 -0.080 0.000 1.164 301 W CA 0.139 57.500 57.345 0.026 0.000 1.204 301 W CB 1.244 30.770 29.460 0.111 0.000 1.213 301 W HN 0.623 nan 8.180 nan 0.000 0.539 302 S N 2.967 118.098 115.700 -0.948 0.000 2.615 302 S HA 0.621 5.103 4.470 0.020 0.000 0.269 302 S C 0.026 173.844 174.600 -1.305 0.000 1.161 302 S CA -0.388 57.323 58.200 -0.815 0.000 0.817 302 S CB 1.171 64.168 63.200 -0.338 0.000 1.131 302 S HN 0.992 nan 8.310 nan 0.000 0.467 303 A N 0.296 122.529 122.820 -0.978 0.000 2.119 303 A HA 0.090 4.422 4.320 0.020 0.000 0.217 303 A C 1.669 178.953 177.584 -0.500 0.000 1.153 303 A CA 1.235 52.711 52.037 -0.936 0.000 0.692 303 A CB -0.839 17.426 19.000 -1.225 0.000 0.799 303 A HN 0.857 nan 8.150 nan 0.000 0.458 304 E N -0.683 119.359 120.200 -0.264 0.000 2.076 304 E HA 0.091 4.453 4.350 0.020 0.000 0.190 304 E C -0.237 176.243 176.600 -0.201 0.000 0.979 304 E CA 0.648 56.967 56.400 -0.134 0.000 0.807 304 E CB 0.064 29.832 29.700 0.113 0.000 0.761 304 E HN 0.597 nan 8.360 nan 0.000 0.454 305 I N 2.002 122.416 120.570 -0.260 0.000 2.542 305 I HA 0.158 4.340 4.170 0.020 0.000 0.278 305 I C -2.503 173.384 176.117 -0.384 0.000 1.069 305 I CA -2.000 59.161 61.300 -0.232 0.000 1.100 305 I CB 2.185 40.102 38.000 -0.139 0.000 1.204 305 I HN -0.214 nan 8.210 nan 0.000 0.470 306 P HA 0.071 nan 4.420 nan 0.000 0.225 306 P C -0.527 176.743 177.300 -0.049 0.000 1.768 306 P CA -0.233 62.566 63.100 -0.502 0.000 0.943 306 P CB -0.332 31.247 31.700 -0.202 0.000 1.936 307 N N 1.584 120.286 118.700 0.003 0.000 2.440 307 N HA 0.091 4.843 4.740 0.020 0.000 0.265 307 N C 0.138 175.878 175.510 0.384 0.000 1.239 307 N CA 0.571 53.716 53.050 0.158 0.000 0.909 307 N CB 0.594 39.171 38.487 0.150 0.000 1.066 307 N HN 0.288 nan 8.380 nan 0.000 0.474 308 L N 2.221 123.605 121.223 0.269 0.000 2.309 308 L HA 0.520 4.872 4.340 0.020 0.000 0.261 308 L C -0.775 176.235 176.870 0.234 0.000 1.021 308 L CA -0.897 54.158 54.840 0.359 0.000 0.823 308 L CB 1.240 43.456 42.059 0.261 0.000 1.366 308 L HN 0.362 nan 8.230 nan 0.000 0.423 309 Y N -0.200 120.250 120.300 0.249 0.000 2.630 309 Y HA 0.657 5.220 4.550 0.021 0.000 0.337 309 Y C -0.325 175.701 175.900 0.210 0.000 1.051 309 Y CA -0.874 57.373 58.100 0.244 0.000 1.121 309 Y CB 1.794 40.456 38.460 0.336 0.000 1.299 309 Y HN 0.361 nan 8.280 nan 0.000 0.498 310 R N 0.997 121.736 120.500 0.398 0.000 2.534 310 R HA 0.824 5.176 4.340 0.020 0.000 0.301 310 R C -1.694 174.804 176.300 0.329 0.000 0.961 310 R CA -0.559 55.715 56.100 0.289 0.000 0.871 310 R CB 1.237 31.649 30.300 0.188 0.000 1.170 310 R HN 0.739 nan 8.270 nan 0.000 0.446 311 A N 3.999 126.953 122.820 0.224 0.000 2.271 311 A HA 0.623 4.955 4.320 0.020 0.000 0.317 311 A C -1.086 176.551 177.584 0.088 0.000 1.245 311 A CA -0.623 51.518 52.037 0.174 0.000 0.857 311 A CB 1.117 20.200 19.000 0.138 0.000 1.175 311 A HN 0.476 nan 8.150 nan 0.000 0.512 312 V N 3.130 123.099 119.914 0.092 0.000 2.495 312 V HA 0.450 4.582 4.120 0.020 0.000 0.298 312 V C -0.411 175.650 176.094 -0.054 0.000 1.031 312 V CA -0.545 61.748 62.300 -0.012 0.000 0.871 312 V CB 1.791 33.618 31.823 0.006 0.000 0.988 312 V HN 0.602 nan 8.190 nan 0.000 0.432 313 V N 4.594 124.408 119.914 -0.167 0.000 2.326 313 V HA 0.417 4.549 4.120 0.020 0.000 0.281 313 V C -0.187 175.837 176.094 -0.117 0.000 1.015 313 V CA -0.569 61.611 62.300 -0.201 0.000 0.823 313 V CB 1.243 32.779 31.823 -0.477 0.000 1.009 313 V HN 0.964 nan 8.190 nan 0.000 0.436 314 E N 4.247 124.434 120.200 -0.021 0.000 2.166 314 E HA 0.510 4.872 4.350 0.020 0.000 0.275 314 E C -0.931 175.726 176.600 0.095 0.000 0.941 314 E CA -0.948 55.486 56.400 0.056 0.000 0.784 314 E CB 2.657 32.432 29.700 0.125 0.000 1.115 314 E HN 0.436 nan 8.360 nan 0.000 0.399 315 L N 4.582 125.839 121.223 0.058 0.000 2.255 315 L HA 0.323 4.675 4.340 0.020 0.000 0.289 315 L C -1.058 175.865 176.870 0.088 0.000 1.046 315 L CA 0.077 54.937 54.840 0.033 0.000 0.816 315 L CB -0.383 41.698 42.059 0.038 0.000 1.197 315 L HN 0.641 nan 8.230 nan 0.000 0.427 316 H N 0.347 119.444 119.070 0.044 0.000 2.960 316 H HA 0.820 5.388 4.556 0.020 0.000 0.338 316 H C -0.586 174.803 175.328 0.100 0.000 1.261 316 H CA -0.558 55.522 56.048 0.055 0.000 1.136 316 H CB 0.665 30.441 29.762 0.024 0.000 1.875 316 H HN 0.456 nan 8.280 nan 0.000 0.550 317 T N -1.932 112.771 114.554 0.249 0.000 2.922 317 T HA 0.496 4.858 4.350 0.020 0.000 0.285 317 T C 1.434 176.296 174.700 0.270 0.000 1.005 317 T CA -0.384 61.865 62.100 0.247 0.000 1.061 317 T CB 1.511 70.458 68.868 0.132 0.000 1.007 317 T HN 0.910 nan 8.240 nan 0.000 0.502 318 A N 1.830 124.784 122.820 0.224 0.000 1.986 318 A HA -0.149 4.183 4.320 0.020 0.000 0.220 318 A C 1.900 179.551 177.584 0.111 0.000 1.171 318 A CA 1.917 54.058 52.037 0.174 0.000 0.640 318 A CB -1.101 17.991 19.000 0.153 0.000 0.811 318 A HN 0.998 nan 8.150 nan 0.000 0.451 319 D N -2.075 118.358 120.400 0.055 0.000 2.310 319 D HA 0.194 4.846 4.640 0.020 0.000 0.212 319 D C 1.287 177.600 176.300 0.021 0.000 0.965 319 D CA 1.310 55.318 54.000 0.012 0.000 0.879 319 D CB -0.597 40.185 40.800 -0.030 0.000 0.921 319 D HN 0.919 nan 8.370 nan 0.000 0.510 320 G N -1.246 107.588 108.800 0.057 0.000 2.192 320 G HA2 -0.201 3.771 3.960 0.020 0.000 0.193 320 G HA3 -0.201 3.771 3.960 0.020 0.000 0.193 320 G C 0.209 175.111 174.900 0.004 0.000 0.999 320 G CA 0.054 45.152 45.100 -0.004 0.000 0.659 320 G HN 0.416 nan 8.290 nan 0.000 0.503 321 T N 2.096 116.680 114.554 0.049 0.000 2.779 321 T HA 0.498 4.860 4.350 0.020 0.000 0.296 321 T C 0.379 175.137 174.700 0.095 0.000 0.938 321 T CA -0.114 62.013 62.100 0.045 0.000 1.119 321 T CB 2.012 70.897 68.868 0.028 0.000 0.891 321 T HN 0.656 nan 8.240 nan 0.000 0.526 322 L N 4.453 125.714 121.223 0.064 0.000 2.416 322 L HA 0.335 4.687 4.340 0.020 0.000 0.272 322 L C 0.689 177.607 176.870 0.080 0.000 1.161 322 L CA 0.390 55.282 54.840 0.086 0.000 0.845 322 L CB 0.119 42.202 42.059 0.039 0.000 1.119 322 L HN 0.707 nan 8.230 nan 0.000 0.464 323 I N 2.165 122.788 120.570 0.088 0.000 2.685 323 I HA 0.167 4.349 4.170 0.020 0.000 0.251 323 I C 0.162 176.300 176.117 0.035 0.000 1.102 323 I CA 0.375 61.710 61.300 0.059 0.000 1.442 323 I CB 0.200 38.237 38.000 0.063 0.000 1.194 323 I HN 0.829 nan 8.210 nan 0.000 0.448 324 E N 0.010 120.229 120.200 0.032 0.000 2.422 324 E HA 0.730 5.092 4.350 0.020 0.000 0.280 324 E C -1.389 175.227 176.600 0.027 0.000 1.091 324 E CA -1.105 55.310 56.400 0.024 0.000 0.849 324 E CB 1.666 31.353 29.700 -0.022 0.000 1.353 324 E HN -0.008 nan 8.360 nan 0.000 0.449 325 A N 0.839 123.700 122.820 0.067 0.000 2.435 325 A HA 0.714 5.046 4.320 0.020 0.000 0.304 325 A C -1.030 176.639 177.584 0.142 0.000 1.064 325 A CA -0.726 51.343 52.037 0.053 0.000 0.727 325 A CB 1.641 20.659 19.000 0.029 0.000 1.284 325 A HN 0.501 nan 8.150 nan 0.000 0.415 326 E N -0.421 119.790 120.200 0.017 0.000 2.378 326 E HA 0.838 5.200 4.350 0.020 0.000 0.265 326 E C -0.538 176.066 176.600 0.007 0.000 0.932 326 E CA -0.573 55.894 56.400 0.112 0.000 0.795 326 E CB 2.445 32.095 29.700 -0.083 0.000 1.296 326 E HN 1.227 nan 8.360 nan 0.000 0.438 327 A N -0.110 122.833 122.820 0.205 0.000 2.566 327 A HA 0.689 5.021 4.320 0.020 0.000 0.290 327 A C -1.269 176.508 177.584 0.321 0.000 1.071 327 A CA -0.394 51.704 52.037 0.102 0.000 0.658 327 A CB 0.744 19.717 19.000 -0.044 0.000 1.285 327 A HN 0.862 nan 8.150 nan 0.000 0.427 328 C N -0.560 118.887 119.300 0.244 0.000 3.285 328 C HA 0.788 5.260 4.460 0.020 0.000 0.325 328 C C -1.342 173.754 174.990 0.177 0.000 1.304 328 C CA -0.906 58.262 59.018 0.251 0.000 1.319 328 C CB 1.052 28.960 27.740 0.281 0.000 1.640 328 C HN 0.827 nan 8.230 nan 0.000 0.477 329 D N 1.345 121.836 120.400 0.152 0.000 2.390 329 D HA 0.489 5.141 4.640 0.020 0.000 0.249 329 D C -0.195 176.177 176.300 0.119 0.000 1.144 329 D CA 0.306 54.395 54.000 0.150 0.000 0.880 329 D CB 1.662 42.551 40.800 0.150 0.000 1.182 329 D HN 0.558 nan 8.370 nan 0.000 0.451 330 V N 1.553 121.567 119.914 0.167 0.000 2.495 330 V HA 0.650 4.782 4.120 0.020 0.000 0.298 330 V C 0.703 176.882 176.094 0.141 0.000 1.031 330 V CA -0.887 61.463 62.300 0.084 0.000 0.871 330 V CB 1.967 33.828 31.823 0.064 0.000 0.988 330 V HN 0.585 nan 8.190 nan 0.000 0.432 331 G N 3.129 111.907 108.800 -0.035 0.000 2.437 331 G HA2 0.596 4.568 3.960 0.020 0.000 0.315 331 G HA3 0.596 4.568 3.960 0.020 0.000 0.315 331 G C -0.955 174.013 174.900 0.113 0.000 1.210 331 G CA -0.381 44.777 45.100 0.097 0.000 0.943 331 G HN 0.437 nan 8.290 nan 0.000 0.471 332 F N 4.030 124.154 119.950 0.290 0.000 2.462 332 F HA 0.439 4.978 4.527 0.020 0.000 0.360 332 F C 1.136 177.187 175.800 0.418 0.000 1.134 332 F CA 0.021 58.253 58.000 0.387 0.000 1.148 332 F CB 0.672 39.877 39.000 0.342 0.000 1.147 332 F HN 0.457 nan 8.300 nan 0.000 0.550 333 R N 3.407 124.178 120.500 0.451 0.000 2.644 333 R HA 0.339 4.691 4.340 0.020 0.000 0.257 333 R C -1.964 174.434 176.300 0.164 0.000 1.082 333 R CA -0.751 55.439 56.100 0.150 0.000 0.927 333 R CB 1.502 31.953 30.300 0.253 0.000 1.258 333 R HN 0.610 nan 8.270 nan 0.000 0.459 334 E N 2.591 122.790 120.200 -0.002 0.000 2.199 334 E HA 0.494 4.856 4.350 0.020 0.000 0.269 334 E C -1.196 175.452 176.600 0.080 0.000 0.899 334 E CA -0.920 55.566 56.400 0.143 0.000 0.772 334 E CB 2.213 32.061 29.700 0.246 0.000 1.155 334 E HN 0.418 nan 8.360 nan 0.000 0.408 335 V N 4.879 124.843 119.914 0.083 0.000 2.448 335 V HA 0.612 4.744 4.120 0.020 0.000 0.295 335 V C -0.186 175.940 176.094 0.054 0.000 1.025 335 V CA -0.722 61.604 62.300 0.043 0.000 0.859 335 V CB 1.176 33.005 31.823 0.010 0.000 0.988 335 V HN 0.758 nan 8.190 nan 0.000 0.431 336 R N 4.074 124.601 120.500 0.045 0.000 2.663 336 R HA 0.723 5.075 4.340 0.020 0.000 0.267 336 R C -2.141 174.178 176.300 0.031 0.000 1.038 336 R CA -0.894 55.236 56.100 0.049 0.000 0.886 336 R CB 1.836 32.182 30.300 0.077 0.000 1.249 336 R HN 0.541 nan 8.270 nan 0.000 0.463 337 I N 1.566 122.154 120.570 0.030 0.000 2.336 337 I HA 0.369 4.551 4.170 0.020 0.000 0.292 337 I C -0.576 175.556 176.117 0.025 0.000 0.991 337 I CA -0.409 60.903 61.300 0.020 0.000 1.227 337 I CB 1.827 39.840 38.000 0.021 0.000 1.366 337 I HN 0.714 nan 8.210 nan 0.000 0.466 338 E N 5.455 125.666 120.200 0.018 0.000 2.308 338 E HA 0.249 4.611 4.350 0.020 0.000 0.275 338 E C -0.244 176.363 176.600 0.012 0.000 0.890 338 E CA -0.580 55.833 56.400 0.022 0.000 0.754 338 E CB 1.074 30.793 29.700 0.032 0.000 1.207 338 E HN 0.503 nan 8.360 nan 0.000 0.426 339 N N 3.075 121.783 118.700 0.012 0.000 2.710 339 N HA -0.252 4.500 4.740 0.020 0.000 0.249 339 N C 0.491 176.000 175.510 -0.001 0.000 1.059 339 N CA 2.162 55.215 53.050 0.006 0.000 0.720 339 N CB -1.154 37.335 38.487 0.004 0.000 0.983 339 N HN 0.985 nan 8.380 nan 0.000 0.544 340 G N -2.453 106.347 108.800 -0.000 0.000 2.176 340 G HA2 -0.285 3.687 3.960 0.020 0.000 0.253 340 G HA3 -0.285 3.687 3.960 0.020 0.000 0.253 340 G C -0.051 174.837 174.900 -0.020 0.000 0.979 340 G CA 0.491 45.586 45.100 -0.007 0.000 0.641 340 G HN 0.464 nan 8.290 nan 0.000 0.530 341 L N 0.109 121.320 121.223 -0.020 0.000 2.334 341 L HA 0.726 5.078 4.340 0.020 0.000 0.276 341 L C 0.173 177.024 176.870 -0.033 0.000 1.014 341 L CA -1.318 53.501 54.840 -0.035 0.000 0.815 341 L CB 1.832 43.869 42.059 -0.037 0.000 1.268 341 L HN 0.091 nan 8.230 nan 0.000 0.428 342 L N 4.376 125.566 121.223 -0.055 0.000 2.283 342 L HA 0.427 4.779 4.340 0.020 0.000 0.287 342 L C -0.784 176.047 176.870 -0.065 0.000 1.073 342 L CA 0.391 55.197 54.840 -0.058 0.000 0.822 342 L CB 0.141 42.150 42.059 -0.084 0.000 1.186 342 L HN 0.382 nan 8.230 nan 0.000 0.436 343 L N 5.752 126.953 121.223 -0.036 0.000 2.334 343 L HA 0.572 4.924 4.340 0.020 0.000 0.273 343 L C -0.786 176.070 176.870 -0.023 0.000 1.013 343 L CA -0.868 53.956 54.840 -0.026 0.000 0.816 343 L CB 1.939 44.006 42.059 0.014 0.000 1.278 343 L HN 0.535 nan 8.230 nan 0.000 0.431 344 L N 3.240 124.456 121.223 -0.013 0.000 2.381 344 L HA 0.494 4.846 4.340 0.020 0.000 0.274 344 L C -0.228 176.637 176.870 -0.008 0.000 0.988 344 L CA -0.087 54.757 54.840 0.006 0.000 0.824 344 L CB 1.178 43.246 42.059 0.014 0.000 1.263 344 L HN 0.599 nan 8.230 nan 0.000 0.410 345 N N 4.037 122.589 118.700 -0.245 0.000 2.721 345 N HA -0.218 4.534 4.740 0.020 0.000 0.249 345 N C 0.898 176.003 175.510 -0.675 0.000 1.072 345 N CA 1.400 53.975 53.050 -0.791 0.000 0.710 345 N CB -1.282 36.742 38.487 -0.772 0.000 0.993 345 N HN 1.192 nan 8.380 nan 0.000 0.547 346 G N -2.067 106.622 108.800 -0.185 0.000 2.184 346 G HA2 -0.349 3.623 3.960 0.020 0.000 0.264 346 G HA3 -0.349 3.623 3.960 0.020 0.000 0.264 346 G C -0.113 174.799 174.900 0.019 0.000 0.975 346 G CA 0.901 46.032 45.100 0.052 0.000 0.642 346 G HN 0.427 nan 8.290 nan 0.000 0.536 347 K N 0.536 120.933 120.400 -0.004 0.000 2.316 347 K HA 0.522 4.854 4.320 0.020 0.000 0.251 347 K C -2.917 173.637 176.600 -0.076 0.000 0.934 347 K CA -2.202 54.049 56.287 -0.059 0.000 0.802 347 K CB 2.717 35.116 32.500 -0.169 0.000 1.171 347 K HN 0.022 nan 8.250 nan 0.000 0.426 348 P HA 0.173 nan 4.420 nan 0.000 0.276 348 P C -0.001 177.216 177.300 -0.139 0.000 1.264 348 P CA -0.194 62.844 63.100 -0.103 0.000 0.769 348 P CB 0.385 32.030 31.700 -0.092 0.000 0.840 349 L N 3.354 124.487 121.223 -0.150 0.000 2.474 349 L HA 0.269 4.621 4.340 0.020 0.000 0.259 349 L C 0.702 177.468 176.870 -0.173 0.000 1.232 349 L CA -0.351 54.383 54.840 -0.177 0.000 0.821 349 L CB 0.102 42.009 42.059 -0.253 0.000 1.108 349 L HN 0.268 nan 8.230 nan 0.000 0.495 350 L N 2.437 123.573 121.223 -0.145 0.000 2.518 350 L HA 0.405 4.757 4.340 0.020 0.000 0.262 350 L C -0.705 176.107 176.870 -0.096 0.000 0.982 350 L CA -0.156 54.589 54.840 -0.159 0.000 0.873 350 L CB 0.955 42.952 42.059 -0.104 0.000 1.198 350 L HN 0.218 nan 8.230 nan 0.000 0.427 351 I N 4.575 125.018 120.570 -0.211 0.000 2.421 351 I HA 0.205 4.387 4.170 0.020 0.000 0.291 351 I C 0.444 176.540 176.117 -0.035 0.000 1.089 351 I CA 0.179 61.373 61.300 -0.177 0.000 1.354 351 I CB 0.380 38.136 38.000 -0.406 0.000 1.413 351 I HN 0.578 nan 8.210 nan 0.000 0.513 352 R N 4.769 125.345 120.500 0.127 0.000 2.471 352 R HA 0.499 4.851 4.340 0.020 0.000 0.292 352 R C 0.431 176.882 176.300 0.251 0.000 1.192 352 R CA -0.276 55.975 56.100 0.252 0.000 1.257 352 R CB 1.152 31.434 30.300 -0.031 0.000 1.130 352 R HN 0.776 nan 8.270 nan 0.000 0.558 353 G N 0.255 109.179 108.800 0.207 0.000 2.537 353 G HA2 0.627 4.599 3.960 0.020 0.000 0.323 353 G HA3 0.627 4.599 3.960 0.020 0.000 0.323 353 G C -1.378 173.862 174.900 0.566 0.000 1.207 353 G CA -0.538 44.686 45.100 0.206 0.000 0.976 353 G HN 0.265 nan 8.290 nan 0.000 0.487 354 V N 0.030 120.238 119.914 0.489 0.000 2.932 354 V HA 0.486 4.618 4.120 0.020 0.000 0.307 354 V C -1.145 175.056 176.094 0.177 0.000 1.147 354 V CA -1.197 61.245 62.300 0.236 0.000 0.951 354 V CB 2.158 33.796 31.823 -0.308 0.000 1.031 354 V HN 0.760 nan 8.190 nan 0.000 0.426 355 N N 4.364 123.076 118.700 0.021 0.000 2.518 355 N HA 0.491 5.243 4.740 0.020 0.000 0.283 355 N C -0.733 174.537 175.510 -0.400 0.000 1.119 355 N CA -0.324 52.586 53.050 -0.233 0.000 0.983 355 N CB 1.490 39.742 38.487 -0.392 0.000 1.139 355 N HN 0.707 nan 8.380 nan 0.000 0.465 356 R N 1.909 122.140 120.500 -0.447 0.000 2.510 356 R HA 0.212 4.564 4.340 0.020 0.000 0.287 356 R C -1.226 174.801 176.300 -0.456 0.000 1.084 356 R CA -0.584 55.283 56.100 -0.388 0.000 0.934 356 R CB 0.842 30.938 30.300 -0.339 0.000 1.201 356 R HN 0.568 nan 8.270 nan 0.000 0.431 357 H N 2.159 121.057 119.070 -0.287 0.000 2.505 357 H HA 0.153 4.721 4.556 0.020 0.000 0.355 357 H C -0.504 174.800 175.328 -0.040 0.000 1.179 357 H CA 0.043 56.017 56.048 -0.124 0.000 1.343 357 H CB 1.488 31.224 29.762 -0.044 0.000 1.501 357 H HN 0.577 nan 8.280 nan 0.000 0.569 358 E N 1.889 122.247 120.200 0.264 0.000 1.996 358 E HA 0.106 4.468 4.350 0.020 0.000 0.280 358 E C -0.688 176.047 176.600 0.224 0.000 1.092 358 E CA -0.019 56.465 56.400 0.140 0.000 0.862 358 E CB 0.280 30.076 29.700 0.161 0.000 1.066 358 E HN 0.396 nan 8.360 nan 0.000 0.396 359 H N 1.727 120.841 119.070 0.074 0.000 2.856 359 H HA 0.247 4.815 4.556 0.020 0.000 0.355 359 H C -1.613 173.768 175.328 0.088 0.000 1.079 359 H CA -0.745 55.348 56.048 0.076 0.000 1.240 359 H CB 1.062 30.862 29.762 0.063 0.000 1.701 359 H HN 0.384 nan 8.280 nan 0.000 0.527 360 H N 6.674 125.460 119.070 -0.473 0.000 2.744 360 H HA 0.221 4.788 4.556 0.020 0.000 0.339 360 H C -2.227 172.734 175.328 -0.612 0.000 1.004 360 H CA -2.605 53.226 56.048 -0.362 0.000 1.257 360 H CB 2.365 32.075 29.762 -0.087 0.000 1.552 360 H HN 0.539 nan 8.280 nan 0.000 0.522 361 P HA -0.169 nan 4.420 nan 0.000 0.216 361 P C 1.151 178.398 177.300 -0.087 0.000 1.154 361 P CA 1.293 64.260 63.100 -0.222 0.000 0.865 361 P CB 0.677 32.245 31.700 -0.219 0.000 0.789 362 L N -3.022 118.299 121.223 0.164 0.000 2.575 362 L HA 0.161 4.513 4.340 0.020 0.000 0.228 362 L C 2.002 178.567 176.870 -0.509 0.000 1.075 362 L CA 0.348 55.020 54.840 -0.280 0.000 0.867 362 L CB -0.579 41.174 42.059 -0.510 0.000 1.097 362 L HN -0.007 nan 8.230 nan 0.000 0.485 363 H N -0.349 118.519 119.070 -0.337 0.000 2.529 363 H HA 0.259 4.827 4.556 0.020 0.000 0.277 363 H C 1.554 176.726 175.328 -0.260 0.000 1.004 363 H CA 0.248 56.072 56.048 -0.373 0.000 1.167 363 H CB 0.516 29.944 29.762 -0.557 0.000 1.445 363 H HN 0.342 nan 8.280 nan 0.000 0.554 364 G N 1.521 110.198 108.800 -0.205 0.000 2.675 364 G HA2 -0.422 3.550 3.960 0.020 0.000 0.312 364 G HA3 -0.422 3.550 3.960 0.020 0.000 0.312 364 G C 0.812 175.604 174.900 -0.180 0.000 1.186 364 G CA 0.656 45.589 45.100 -0.278 0.000 0.965 364 G HN 0.488 nan 8.290 nan 0.000 0.548 365 Q N -0.127 119.591 119.800 -0.136 0.000 2.179 365 Q HA 0.520 4.872 4.340 0.020 0.000 0.213 365 Q C 0.137 176.184 176.000 0.079 0.000 0.833 365 Q CA -0.229 55.530 55.803 -0.073 0.000 0.990 365 Q CB 1.651 30.232 28.738 -0.262 0.000 1.132 365 Q HN 0.339 nan 8.270 nan 0.000 0.493 366 V N 1.618 121.567 119.914 0.058 0.000 2.546 366 V HA 0.231 4.363 4.120 0.020 0.000 0.284 366 V C -0.132 175.991 176.094 0.047 0.000 1.050 366 V CA -0.173 62.177 62.300 0.083 0.000 0.981 366 V CB 1.274 33.081 31.823 -0.028 0.000 0.990 366 V HN 0.269 nan 8.190 nan 0.000 0.474 367 M N 4.616 124.241 119.600 0.042 0.000 2.578 367 M HA 0.523 5.015 4.480 0.020 0.000 0.321 367 M C -0.733 175.497 176.300 -0.116 0.000 1.182 367 M CA -0.382 54.898 55.300 -0.034 0.000 0.965 367 M CB 1.777 34.315 32.600 -0.105 0.000 1.694 367 M HN 0.874 nan 8.290 nan 0.000 0.461 368 D N -0.836 119.510 120.400 -0.090 0.000 2.581 368 D HA 0.260 4.912 4.640 0.020 0.000 0.232 368 D C 0.091 176.365 176.300 -0.044 0.000 1.143 368 D CA -0.705 53.248 54.000 -0.078 0.000 0.881 368 D CB 0.816 41.594 40.800 -0.036 0.000 1.500 368 D HN 0.685 nan 8.370 nan 0.000 0.458 369 E N -0.398 119.791 120.200 -0.018 0.000 2.085 369 E HA -0.299 4.063 4.350 0.020 0.000 0.194 369 E C 1.446 178.087 176.600 0.069 0.000 0.994 369 E CA 1.261 57.681 56.400 0.034 0.000 0.801 369 E CB 0.135 29.871 29.700 0.060 0.000 0.743 369 E HN 0.431 nan 8.360 nan 0.000 0.453 370 Q N 0.190 120.031 119.800 0.069 0.000 2.077 370 Q HA -0.146 4.206 4.340 0.020 0.000 0.206 370 Q C 2.185 178.241 176.000 0.094 0.000 0.989 370 Q CA 2.318 58.172 55.803 0.084 0.000 0.853 370 Q CB -0.874 27.916 28.738 0.087 0.000 0.907 370 Q HN 0.303 nan 8.270 nan 0.000 0.418 371 T N 0.497 115.113 114.554 0.104 0.000 2.708 371 T HA -0.157 4.205 4.350 0.020 0.000 0.266 371 T C 1.892 176.659 174.700 0.112 0.000 1.037 371 T CA 1.698 63.866 62.100 0.114 0.000 1.146 371 T CB -0.232 68.720 68.868 0.139 0.000 0.865 371 T HN 0.258 nan 8.240 nan 0.000 0.435 372 M N 0.548 120.215 119.600 0.112 0.000 2.073 372 M HA -0.120 4.372 4.480 0.020 0.000 0.258 372 M C 2.521 178.930 176.300 0.182 0.000 1.070 372 M CA 1.433 56.863 55.300 0.215 0.000 1.103 372 M CB -0.833 31.943 32.600 0.293 0.000 1.321 372 M HN 0.070 nan 8.290 nan 0.000 0.405 373 V N 0.293 120.263 119.914 0.093 0.000 2.332 373 V HA -0.314 3.818 4.120 0.020 0.000 0.248 373 V C 2.423 178.502 176.094 -0.025 0.000 1.055 373 V CA 2.130 64.423 62.300 -0.011 0.000 1.038 373 V CB -0.807 31.045 31.823 0.048 0.000 0.651 373 V HN 0.572 nan 8.190 nan 0.000 0.450 374 Q N -0.587 119.246 119.800 0.055 0.000 2.084 374 Q HA -0.266 4.086 4.340 0.020 0.000 0.202 374 Q C 1.952 178.021 176.000 0.115 0.000 0.978 374 Q CA 2.079 57.931 55.803 0.082 0.000 0.844 374 Q CB -0.107 28.693 28.738 0.103 0.000 0.898 374 Q HN 0.625 nan 8.270 nan 0.000 0.426 375 D N 0.351 120.833 120.400 0.136 0.000 2.097 375 D HA -0.121 4.531 4.640 0.020 0.000 0.197 375 D C 1.937 178.184 176.300 -0.088 0.000 0.984 375 D CA 0.994 55.077 54.000 0.139 0.000 0.826 375 D CB -0.192 40.675 40.800 0.112 0.000 0.973 375 D HN 0.330 nan 8.370 nan 0.000 0.460 376 I N 0.709 121.216 120.570 -0.106 0.000 2.208 376 I HA -0.249 3.933 4.170 0.020 0.000 0.245 376 I C 2.344 178.317 176.117 -0.240 0.000 1.097 376 I CA 0.823 61.952 61.300 -0.284 0.000 1.363 376 I CB -0.281 37.426 38.000 -0.489 0.000 1.051 376 I HN 0.033 nan 8.210 nan 0.000 0.413 377 L N 0.127 121.253 121.223 -0.162 0.000 2.093 377 L HA -0.200 4.152 4.340 0.020 0.000 0.208 377 L C 2.559 179.491 176.870 0.104 0.000 1.085 377 L CA 1.134 55.965 54.840 -0.014 0.000 0.755 377 L CB -0.564 41.512 42.059 0.028 0.000 0.904 377 L HN 0.285 nan 8.230 nan 0.000 0.435 378 L N -0.906 120.400 121.223 0.138 0.000 2.056 378 L HA -0.220 4.132 4.340 0.020 0.000 0.207 378 L C 2.697 179.742 176.870 0.292 0.000 1.078 378 L CA 1.246 56.264 54.840 0.296 0.000 0.749 378 L CB -0.296 42.076 42.059 0.522 0.000 0.901 378 L HN 0.284 nan 8.230 nan 0.000 0.433 379 M N -0.339 119.256 119.600 -0.009 0.000 2.115 379 M HA -0.287 4.205 4.480 0.020 0.000 0.258 379 M C 2.352 178.731 176.300 0.131 0.000 1.071 379 M CA 2.012 57.222 55.300 -0.150 0.000 1.100 379 M CB -0.359 31.939 32.600 -0.503 0.000 1.292 379 M HN 0.064 nan 8.290 nan 0.000 0.415 380 K N -0.148 120.232 120.400 -0.034 0.000 2.074 380 K HA -0.230 4.102 4.320 0.020 0.000 0.209 380 K C 1.912 178.502 176.600 -0.017 0.000 1.048 380 K CA 1.615 57.784 56.287 -0.197 0.000 0.926 380 K CB -0.317 31.927 32.500 -0.428 0.000 0.713 380 K HN 0.506 nan 8.250 nan 0.000 0.444 381 Q N 0.207 120.165 119.800 0.264 0.000 2.364 381 Q HA -0.036 4.316 4.340 0.020 0.000 0.207 381 Q C 0.865 177.150 176.000 0.474 0.000 0.970 381 Q CA 0.697 56.749 55.803 0.416 0.000 0.888 381 Q CB 0.132 29.078 28.738 0.347 0.000 0.951 381 Q HN 0.292 nan 8.270 nan 0.000 0.469 382 N N 0.445 119.381 118.700 0.393 0.000 2.238 382 N HA 0.056 4.808 4.740 0.020 0.000 0.222 382 N C -0.549 175.067 175.510 0.177 0.000 1.133 382 N CA 0.026 53.300 53.050 0.373 0.000 0.854 382 N CB 0.736 39.516 38.487 0.489 0.000 1.041 382 N HN 0.135 nan 8.380 nan 0.000 0.510 383 N N 0.252 119.066 118.700 0.191 0.000 2.776 383 N HA -0.180 4.572 4.740 0.020 0.000 0.250 383 N C -0.942 174.556 175.510 -0.021 0.000 1.112 383 N CA 0.701 53.849 53.050 0.164 0.000 0.733 383 N CB -1.763 36.777 38.487 0.088 0.000 1.097 383 N HN 0.251 nan 8.380 nan 0.000 0.558 384 F N 1.042 121.020 119.950 0.047 0.000 2.396 384 F HA 0.271 4.810 4.527 0.019 0.000 0.343 384 F C 1.771 177.564 175.800 -0.012 0.000 1.104 384 F CA -0.533 57.477 58.000 0.016 0.000 1.161 384 F CB 0.850 39.828 39.000 -0.035 0.000 1.146 384 F HN 0.058 nan 8.300 nan 0.000 0.522 385 N N 1.108 119.926 118.700 0.197 0.000 2.171 385 N HA 0.420 5.172 4.740 0.020 0.000 0.212 385 N C -0.737 174.820 175.510 0.079 0.000 1.184 385 N CA 0.017 53.112 53.050 0.074 0.000 0.888 385 N CB 0.737 39.323 38.487 0.165 0.000 1.038 385 N HN 0.446 nan 8.380 nan 0.000 0.517 386 A N -0.591 122.346 122.820 0.195 0.000 2.606 386 A HA 0.752 5.084 4.320 0.020 0.000 0.293 386 A C -1.772 176.018 177.584 0.343 0.000 1.082 386 A CA -0.696 51.504 52.037 0.272 0.000 0.685 386 A CB 1.756 20.949 19.000 0.322 0.000 1.284 386 A HN 0.182 nan 8.150 nan 0.000 0.408 387 V N 0.842 120.999 119.914 0.406 0.000 2.841 387 V HA 0.810 4.942 4.120 0.020 0.000 0.310 387 V C -0.623 175.594 176.094 0.205 0.000 1.090 387 V CA -0.710 61.790 62.300 0.333 0.000 0.930 387 V CB 1.900 33.839 31.823 0.193 0.000 1.014 387 V HN 1.139 nan 8.190 nan 0.000 0.425 388 R N 4.817 125.255 120.500 -0.104 0.000 2.393 388 R HA 0.506 4.858 4.340 0.020 0.000 0.310 388 R C -0.792 175.358 176.300 -0.250 0.000 0.968 388 R CA -0.463 55.406 56.100 -0.386 0.000 0.867 388 R CB 1.155 30.975 30.300 -0.800 0.000 1.124 388 R HN 0.808 nan 8.270 nan 0.000 0.450 389 C N 4.388 123.584 119.300 -0.173 0.000 2.896 389 C HA 0.139 4.611 4.460 0.020 0.000 0.499 389 C C 0.487 175.191 174.990 -0.476 0.000 1.022 389 C CA -0.584 58.283 59.018 -0.251 0.000 1.127 389 C CB -2.061 25.653 27.740 -0.042 0.000 1.452 389 C HN 0.725 nan 8.230 nan 0.000 0.580 390 S N 1.639 116.913 115.700 -0.709 0.000 2.443 390 S HA 0.186 4.668 4.470 0.020 0.000 0.284 390 S C -0.172 173.493 174.600 -1.557 0.000 1.206 390 S CA 0.110 57.617 58.200 -1.154 0.000 1.074 390 S CB 0.051 62.488 63.200 -1.271 0.000 0.963 390 S HN 0.743 nan 8.310 nan 0.000 0.501 391 H N 3.755 122.202 119.070 -1.039 0.000 2.514 391 H HA 0.320 4.887 4.556 0.020 0.000 0.226 391 H C -1.163 174.069 175.328 -0.160 0.000 1.421 391 H CA -0.364 55.478 56.048 -0.343 0.000 1.394 391 H CB -0.058 29.713 29.762 0.016 0.000 1.701 391 H HN 0.892 nan 8.280 nan 0.000 0.515 392 Y N -2.662 117.751 120.300 0.188 0.000 2.841 392 Y HA 0.356 4.918 4.550 0.020 0.000 0.373 392 Y C -3.357 172.654 175.900 0.185 0.000 1.170 392 Y CA -2.939 55.277 58.100 0.194 0.000 1.196 392 Y CB -0.093 38.488 38.460 0.201 0.000 1.433 392 Y HN -0.065 nan 8.280 nan 0.000 0.479 393 P HA 0.153 nan 4.420 nan 0.000 0.268 393 P C -0.543 177.053 177.300 0.493 0.000 1.204 393 P CA 0.220 63.577 63.100 0.428 0.000 0.768 393 P CB 0.561 32.432 31.700 0.285 0.000 0.842 394 N N 0.842 119.856 118.700 0.523 0.000 2.434 394 N HA 0.065 4.817 4.740 0.020 0.000 0.266 394 N C 0.221 175.984 175.510 0.422 0.000 1.223 394 N CA -0.534 52.737 53.050 0.369 0.000 0.972 394 N CB 0.359 38.868 38.487 0.036 0.000 1.207 394 N HN 0.603 nan 8.380 nan 0.000 0.525 395 H N 2.107 121.287 119.070 0.183 0.000 3.064 395 H HA -0.006 4.562 4.556 0.020 0.000 0.329 395 H C -1.691 173.805 175.328 0.280 0.000 1.020 395 H CA -0.677 55.462 56.048 0.151 0.000 1.402 395 H CB 0.954 30.763 29.762 0.079 0.000 1.379 395 H HN 0.419 nan 8.280 nan 0.000 0.594 396 P HA -0.188 nan 4.420 nan 0.000 0.219 396 P C 1.819 179.414 177.300 0.492 0.000 1.146 396 P CA 0.694 64.015 63.100 0.369 0.000 0.808 396 P CB 0.182 31.950 31.700 0.114 0.000 0.779 397 L N -1.291 120.290 121.223 0.597 0.000 2.201 397 L HA -0.025 4.327 4.340 0.020 0.000 0.212 397 L C 2.341 179.388 176.870 0.295 0.000 1.105 397 L CA 1.349 56.434 54.840 0.408 0.000 0.775 397 L CB -1.212 41.054 42.059 0.346 0.000 0.913 397 L HN 0.007 nan 8.230 nan 0.000 0.440 398 W N -0.378 120.945 121.300 0.038 0.000 2.318 398 W HA -0.353 4.318 4.660 0.019 0.000 0.313 398 W C 2.103 178.448 176.519 -0.290 0.000 1.221 398 W CA 2.097 59.314 57.345 -0.214 0.000 1.266 398 W CB -0.408 28.810 29.460 -0.403 0.000 1.150 398 W HN 0.271 nan 8.180 nan 0.000 0.496 399 Y N 0.794 121.050 120.300 -0.073 0.000 2.145 399 Y HA -0.249 4.313 4.550 0.020 0.000 0.286 399 Y C 2.870 178.571 175.900 -0.332 0.000 1.145 399 Y CA 2.280 60.138 58.100 -0.404 0.000 1.148 399 Y CB -1.341 36.607 38.460 -0.853 0.000 0.981 399 Y HN -0.214 nan 8.280 nan 0.000 0.507 400 T N 0.914 115.480 114.554 0.021 0.000 2.720 400 T HA -0.195 4.167 4.350 0.020 0.000 0.268 400 T C 1.981 176.724 174.700 0.072 0.000 1.037 400 T CA 1.659 63.846 62.100 0.144 0.000 1.144 400 T CB -0.619 68.372 68.868 0.204 0.000 0.864 400 T HN 0.235 nan 8.240 nan 0.000 0.444 401 L N 0.269 121.500 121.223 0.014 0.000 2.017 401 L HA -0.103 4.249 4.340 0.020 0.000 0.208 401 L C 2.948 179.802 176.870 -0.027 0.000 1.073 401 L CA 1.003 55.864 54.840 0.035 0.000 0.745 401 L CB -0.868 41.197 42.059 0.010 0.000 0.894 401 L HN 0.354 nan 8.230 nan 0.000 0.432 402 C N -0.102 119.017 119.300 -0.303 0.000 2.425 402 C HA -0.152 4.320 4.460 0.020 0.000 0.277 402 C C 2.459 177.470 174.990 0.035 0.000 1.280 402 C CA 0.507 59.363 59.018 -0.270 0.000 1.744 402 C CB -0.839 26.622 27.740 -0.464 0.000 1.989 402 C HN 0.544 nan 8.230 nan 0.000 0.491 403 D N 0.500 120.927 120.400 0.045 0.000 2.104 403 D HA -0.120 4.532 4.640 0.020 0.000 0.194 403 D C 2.378 178.868 176.300 0.317 0.000 0.994 403 D CA 1.312 55.412 54.000 0.165 0.000 0.830 403 D CB -0.339 40.534 40.800 0.121 0.000 0.959 403 D HN 0.554 nan 8.370 nan 0.000 0.452 404 R N -1.041 119.546 120.500 0.145 0.000 2.100 404 R HA 0.006 4.358 4.340 0.020 0.000 0.220 404 R C 2.232 178.471 176.300 -0.102 0.000 1.091 404 R CA 0.562 56.677 56.100 0.026 0.000 0.986 404 R CB -0.272 29.977 30.300 -0.085 0.000 0.888 404 R HN 0.285 nan 8.270 nan 0.000 0.444 405 Y N 0.419 120.732 120.300 0.020 0.000 2.420 405 Y HA 0.133 4.695 4.550 0.020 0.000 0.292 405 Y C 1.008 176.845 175.900 -0.106 0.000 1.119 405 Y CA 0.846 58.930 58.100 -0.027 0.000 1.229 405 Y CB 0.480 38.888 38.460 -0.087 0.000 1.026 405 Y HN 0.255 nan 8.280 nan 0.000 0.554 406 G N 1.311 110.159 108.800 0.080 0.000 3.313 406 G HA2 -0.165 3.807 3.960 0.020 0.000 0.563 406 G HA3 -0.165 3.807 3.960 0.020 0.000 0.563 406 G C -1.211 173.562 174.900 -0.211 0.000 1.037 406 G CA -0.455 44.594 45.100 -0.085 0.000 0.848 406 G HN 0.176 nan 8.290 nan 0.000 0.416 407 L N 1.526 122.688 121.223 -0.102 0.000 2.482 407 L HA 0.425 4.777 4.340 0.020 0.000 0.263 407 L C -0.283 176.586 176.870 -0.003 0.000 0.957 407 L CA -1.176 53.559 54.840 -0.175 0.000 0.836 407 L CB 2.091 44.050 42.059 -0.167 0.000 1.324 407 L HN 0.552 nan 8.230 nan 0.000 0.406 408 Y N 2.035 122.460 120.300 0.208 0.000 2.359 408 Y HA 0.371 4.934 4.550 0.022 0.000 0.334 408 Y C 0.258 176.273 175.900 0.192 0.000 1.058 408 Y CA -0.667 57.581 58.100 0.248 0.000 1.244 408 Y CB 1.387 39.969 38.460 0.204 0.000 1.187 408 Y HN 0.171 nan 8.280 nan 0.000 0.510 409 V N 4.731 124.802 119.914 0.262 0.000 2.581 409 V HA 0.343 4.475 4.120 0.020 0.000 0.303 409 V C -0.497 175.672 176.094 0.125 0.000 1.041 409 V CA -0.985 61.423 62.300 0.179 0.000 0.907 409 V CB 2.012 33.899 31.823 0.107 0.000 0.994 409 V HN 0.440 nan 8.190 nan 0.000 0.442 410 V N 3.161 123.125 119.914 0.084 0.000 2.311 410 V HA 0.311 4.443 4.120 0.020 0.000 0.275 410 V C -0.333 175.790 176.094 0.047 0.000 1.022 410 V CA -0.489 61.812 62.300 0.001 0.000 0.830 410 V CB 1.347 33.084 31.823 -0.145 0.000 1.012 410 V HN 0.850 nan 8.190 nan 0.000 0.452 411 D N 4.141 124.601 120.400 0.101 0.000 2.316 411 D HA 0.255 4.907 4.640 0.020 0.000 0.245 411 D C -0.104 176.383 176.300 0.313 0.000 1.171 411 D CA 0.087 54.243 54.000 0.261 0.000 0.856 411 D CB 1.045 42.030 40.800 0.308 0.000 1.090 411 D HN 0.675 nan 8.370 nan 0.000 0.476 412 E N 1.957 122.308 120.200 0.252 0.000 2.187 412 E HA 0.606 4.968 4.350 0.020 0.000 0.268 412 E C -0.872 175.872 176.600 0.241 0.000 0.896 412 E CA -1.038 55.501 56.400 0.232 0.000 0.766 412 E CB 1.270 31.060 29.700 0.150 0.000 1.142 412 E HN 0.468 nan 8.360 nan 0.000 0.408 413 A N 3.874 126.828 122.820 0.224 0.000 2.425 413 A HA 0.067 4.399 4.320 0.020 0.000 0.242 413 A C 0.250 177.964 177.584 0.217 0.000 1.077 413 A CA -0.238 51.911 52.037 0.186 0.000 0.781 413 A CB 0.180 19.256 19.000 0.126 0.000 1.020 413 A HN 0.712 nan 8.150 nan 0.000 0.494 414 N N 0.856 119.689 118.700 0.222 0.000 2.968 414 N HA 0.345 5.097 4.740 0.020 0.000 0.271 414 N C -1.146 174.496 175.510 0.220 0.000 1.174 414 N CA 0.133 53.348 53.050 0.275 0.000 1.096 414 N CB -0.703 37.950 38.487 0.277 0.000 1.403 414 N HN 0.456 nan 8.380 nan 0.000 0.522 415 I N 1.196 121.892 120.570 0.210 0.000 2.503 415 I HA 0.270 4.452 4.170 0.020 0.000 0.282 415 I C -0.647 175.576 176.117 0.178 0.000 1.059 415 I CA -0.593 60.814 61.300 0.178 0.000 1.081 415 I CB 1.686 39.767 38.000 0.135 0.000 1.210 415 I HN 0.300 nan 8.210 nan 0.000 0.450 416 E N 4.219 124.520 120.200 0.169 0.000 2.274 416 E HA 0.406 4.768 4.350 0.020 0.000 0.269 416 E C -0.471 176.203 176.600 0.122 0.000 0.891 416 E CA -0.488 55.983 56.400 0.118 0.000 0.784 416 E CB 1.627 31.376 29.700 0.081 0.000 1.225 416 E HN 0.580 nan 8.360 nan 0.000 0.412 417 T N 0.632 115.248 114.554 0.103 0.000 3.415 417 T HA 0.151 4.513 4.350 0.020 0.000 0.282 417 T C 0.913 175.660 174.700 0.079 0.000 1.007 417 T CA -0.317 61.869 62.100 0.144 0.000 0.958 417 T CB -0.312 68.629 68.868 0.122 0.000 1.171 417 T HN 0.679 nan 8.240 nan 0.000 0.500 418 H N 1.071 120.058 119.070 -0.139 0.000 2.394 418 H HA -0.099 4.470 4.556 0.021 0.000 0.297 418 H C 2.305 177.506 175.328 -0.212 0.000 1.113 418 H CA 1.296 57.235 56.048 -0.181 0.000 1.277 418 H CB -0.203 29.417 29.762 -0.238 0.000 1.370 418 H HN 0.591 nan 8.280 nan 0.000 0.506 419 G N 0.301 108.929 108.800 -0.286 0.000 2.598 419 G HA2 -0.086 3.886 3.960 0.020 0.000 0.215 419 G HA3 -0.086 3.886 3.960 0.020 0.000 0.215 419 G C 0.566 175.574 174.900 0.181 0.000 1.131 419 G CA -0.065 44.893 45.100 -0.236 0.000 0.785 419 G HN 0.164 nan 8.290 nan 0.000 0.539 420 M N 0.640 120.397 119.600 0.262 0.000 2.245 420 M HA 0.241 4.733 4.480 0.020 0.000 0.330 420 M C -0.422 175.913 176.300 0.058 0.000 1.098 420 M CA -0.054 55.340 55.300 0.157 0.000 1.172 420 M CB 1.315 33.960 32.600 0.076 0.000 1.467 420 M HN -0.215 nan 8.290 nan 0.000 0.454 421 V N 4.708 124.635 119.914 0.022 0.000 2.376 421 V HA 0.348 4.480 4.120 0.020 0.000 0.287 421 V C -1.805 174.280 176.094 -0.015 0.000 1.015 421 V CA -1.302 60.996 62.300 -0.003 0.000 0.834 421 V CB 1.402 33.219 31.823 -0.011 0.000 1.001 421 V HN 0.735 nan 8.190 nan 0.000 0.428 422 P HA 0.250 nan 4.420 nan 0.000 0.277 422 P C 1.024 178.328 177.300 0.006 0.000 1.276 422 P CA -0.546 62.550 63.100 -0.006 0.000 0.788 422 P CB 1.067 32.764 31.700 -0.005 0.000 1.114 423 M N 0.475 120.086 119.600 0.019 0.000 2.213 423 M HA -0.164 4.328 4.480 0.020 0.000 0.263 423 M C 1.131 177.457 176.300 0.043 0.000 1.062 423 M CA 1.850 57.174 55.300 0.039 0.000 1.105 423 M CB -0.497 32.122 32.600 0.032 0.000 1.385 423 M HN 0.365 nan 8.290 nan 0.000 0.417 424 N N -0.032 118.694 118.700 0.043 0.000 2.322 424 N HA -0.069 4.683 4.740 0.020 0.000 0.216 424 N C 1.075 176.569 175.510 -0.027 0.000 1.144 424 N CA 0.132 53.209 53.050 0.044 0.000 0.830 424 N CB -0.754 37.778 38.487 0.074 0.000 1.034 424 N HN 0.358 nan 8.380 nan 0.000 0.484 425 R N 0.446 120.915 120.500 -0.051 0.000 2.096 425 R HA -0.048 4.304 4.340 0.020 0.000 0.240 425 R C 1.379 177.575 176.300 -0.174 0.000 1.139 425 R CA 1.567 57.610 56.100 -0.096 0.000 0.952 425 R CB -0.080 30.162 30.300 -0.096 0.000 0.854 425 R HN 0.316 nan 8.270 nan 0.000 0.436 426 L N -0.686 120.375 121.223 -0.269 0.000 2.202 426 L HA 0.017 4.369 4.340 0.020 0.000 0.205 426 L C 2.486 179.223 176.870 -0.221 0.000 1.083 426 L CA 1.182 55.747 54.840 -0.459 0.000 0.790 426 L CB -0.444 41.078 42.059 -0.895 0.000 0.942 426 L HN 0.377 nan 8.230 nan 0.000 0.452 427 T N -4.214 110.238 114.554 -0.170 0.000 2.962 427 T HA -0.168 4.194 4.350 0.020 0.000 0.270 427 T C 1.312 175.920 174.700 -0.153 0.000 1.088 427 T CA 1.233 63.212 62.100 -0.202 0.000 1.127 427 T CB -0.228 68.452 68.868 -0.313 0.000 0.883 427 T HN 0.106 nan 8.240 nan 0.000 0.493 428 D N 1.177 121.524 120.400 -0.088 0.000 2.339 428 D HA 0.081 4.733 4.640 0.020 0.000 0.217 428 D C -0.116 176.166 176.300 -0.030 0.000 1.050 428 D CA -0.102 53.860 54.000 -0.063 0.000 0.856 428 D CB -0.146 40.621 40.800 -0.054 0.000 0.922 428 D HN 0.305 nan 8.370 nan 0.000 0.518 429 D N -0.090 120.309 120.400 -0.003 0.000 2.347 429 D HA 0.090 4.742 4.640 0.020 0.000 0.235 429 D C -1.607 174.750 176.300 0.095 0.000 1.149 429 D CA -2.226 51.813 54.000 0.065 0.000 0.850 429 D CB 1.772 42.659 40.800 0.146 0.000 1.061 429 D HN -0.006 nan 8.370 nan 0.000 0.487 430 P HA -0.153 nan 4.420 nan 0.000 0.218 430 P C 0.921 178.223 177.300 0.004 0.000 1.146 430 P CA 0.971 64.082 63.100 0.018 0.000 0.813 430 P CB 0.214 31.913 31.700 -0.002 0.000 0.778 431 R N -1.941 118.568 120.500 0.014 0.000 2.237 431 R HA -0.055 4.297 4.340 0.020 0.000 0.219 431 R C 1.514 177.670 176.300 -0.240 0.000 1.080 431 R CA 1.025 57.059 56.100 -0.109 0.000 0.995 431 R CB -0.606 29.611 30.300 -0.138 0.000 0.875 431 R HN 0.321 nan 8.270 nan 0.000 0.462 432 W N 0.152 121.402 121.300 -0.083 0.000 3.278 432 W HA 0.146 4.818 4.660 0.019 0.000 0.308 432 W C 1.469 177.935 176.519 -0.088 0.000 1.253 432 W CA -0.524 56.772 57.345 -0.082 0.000 1.759 432 W CB 0.088 29.498 29.460 -0.085 0.000 1.093 432 W HN 0.013 nan 8.180 nan 0.000 0.648 433 L N 2.406 123.658 121.223 0.048 0.000 2.046 433 L HA -0.042 4.310 4.340 0.020 0.000 0.208 433 L C -0.657 176.181 176.870 -0.053 0.000 1.077 433 L CA 2.246 57.079 54.840 -0.011 0.000 0.747 433 L CB -1.672 40.371 42.059 -0.027 0.000 0.896 433 L HN -0.231 nan 8.230 nan 0.000 0.432 434 P HA -0.099 nan 4.420 nan 0.000 0.214 434 P C 1.616 178.860 177.300 -0.093 0.000 1.162 434 P CA 2.131 65.169 63.100 -0.104 0.000 0.874 434 P CB -0.268 31.363 31.700 -0.115 0.000 0.784 435 A N -0.811 121.964 122.820 -0.076 0.000 1.933 435 A HA -0.181 4.151 4.320 0.020 0.000 0.218 435 A C 2.325 179.921 177.584 0.020 0.000 1.175 435 A CA 1.895 53.918 52.037 -0.023 0.000 0.628 435 A CB -1.497 17.501 19.000 -0.002 0.000 0.814 435 A HN 0.090 nan 8.150 nan 0.000 0.444 436 M N 0.073 119.697 119.600 0.041 0.000 2.077 436 M HA -0.166 4.326 4.480 0.020 0.000 0.261 436 M C 2.659 178.918 176.300 -0.068 0.000 1.070 436 M CA 1.935 57.245 55.300 0.017 0.000 1.125 436 M CB -0.413 32.183 32.600 -0.006 0.000 1.339 436 M HN 0.676 nan 8.290 nan 0.000 0.409 437 S N 0.510 116.137 115.700 -0.122 0.000 2.374 437 S HA -0.215 4.267 4.470 0.020 0.000 0.227 437 S C 1.534 175.969 174.600 -0.275 0.000 1.037 437 S CA 1.732 59.790 58.200 -0.236 0.000 1.024 437 S CB -0.821 62.209 63.200 -0.284 0.000 0.861 437 S HN 0.544 nan 8.310 nan 0.000 0.456 438 E N 1.068 121.153 120.200 -0.192 0.000 2.153 438 E HA -0.108 4.254 4.350 0.020 0.000 0.194 438 E C 2.368 178.884 176.600 -0.140 0.000 0.988 438 E CA 0.925 57.218 56.400 -0.179 0.000 0.811 438 E CB -0.212 29.420 29.700 -0.112 0.000 0.746 438 E HN 0.570 nan 8.360 nan 0.000 0.466 439 R N 0.335 120.786 120.500 -0.082 0.000 2.148 439 R HA -0.065 4.287 4.340 0.020 0.000 0.227 439 R C 2.244 178.512 176.300 -0.054 0.000 1.103 439 R CA 0.626 56.711 56.100 -0.026 0.000 0.983 439 R CB 0.090 30.415 30.300 0.043 0.000 0.874 439 R HN 0.011 nan 8.270 nan 0.000 0.451 440 V N -0.151 119.688 119.914 -0.125 0.000 2.374 440 V HA -0.171 3.961 4.120 0.020 0.000 0.241 440 V C 2.389 178.312 176.094 -0.285 0.000 1.034 440 V CA 2.066 64.272 62.300 -0.158 0.000 1.037 440 V CB -0.309 31.417 31.823 -0.162 0.000 0.682 440 V HN 0.509 nan 8.190 nan 0.000 0.463 441 T N -0.477 113.765 114.554 -0.520 0.000 2.759 441 T HA -0.259 4.103 4.350 0.020 0.000 0.269 441 T C 1.900 176.445 174.700 -0.259 0.000 1.042 441 T CA 1.559 63.265 62.100 -0.655 0.000 1.140 441 T CB -0.422 67.855 68.868 -0.985 0.000 0.864 441 T HN 0.420 nan 8.240 nan 0.000 0.455 442 R N 0.148 120.519 120.500 -0.216 0.000 2.148 442 R HA 0.252 4.604 4.340 0.020 0.000 0.223 442 R C 2.615 178.838 176.300 -0.128 0.000 1.088 442 R CA 1.178 57.187 56.100 -0.152 0.000 0.985 442 R CB -0.446 29.771 30.300 -0.139 0.000 0.880 442 R HN 0.467 nan 8.270 nan 0.000 0.451 443 M N 0.601 120.133 119.600 -0.113 0.000 2.077 443 M HA -0.157 4.335 4.480 0.020 0.000 0.261 443 M C 1.920 178.147 176.300 -0.122 0.000 1.070 443 M CA 1.698 56.959 55.300 -0.065 0.000 1.125 443 M CB 0.024 32.624 32.600 0.000 0.000 1.339 443 M HN -0.015 nan 8.290 nan 0.000 0.409 444 V N 1.086 120.826 119.914 -0.291 0.000 2.287 444 V HA -0.326 3.806 4.120 0.020 0.000 0.248 444 V C 2.328 178.321 176.094 -0.169 0.000 1.053 444 V CA 2.171 64.177 62.300 -0.491 0.000 1.027 444 V CB -1.006 30.483 31.823 -0.555 0.000 0.646 444 V HN 0.597 nan 8.190 nan 0.000 0.447 445 Q N -0.790 118.952 119.800 -0.097 0.000 2.181 445 Q HA -0.247 4.105 4.340 0.020 0.000 0.205 445 Q C 2.466 178.397 176.000 -0.114 0.000 0.980 445 Q CA 1.658 57.418 55.803 -0.072 0.000 0.862 445 Q CB -0.180 28.524 28.738 -0.056 0.000 0.905 445 Q HN 0.541 nan 8.270 nan 0.000 0.429 446 R N 0.092 120.512 120.500 -0.133 0.000 2.128 446 R HA -0.064 4.288 4.340 0.020 0.000 0.211 446 R C 0.517 176.756 176.300 -0.103 0.000 1.067 446 R CA 1.008 57.005 56.100 -0.171 0.000 1.010 446 R CB 0.505 30.693 30.300 -0.186 0.000 0.922 446 R HN 0.123 nan 8.270 nan 0.000 0.457 447 D N 0.057 120.451 120.400 -0.009 0.000 2.369 447 D HA -0.010 4.642 4.640 0.020 0.000 0.211 447 D C 1.471 177.890 176.300 0.198 0.000 1.077 447 D CA 0.114 54.166 54.000 0.087 0.000 0.842 447 D CB 0.223 41.029 40.800 0.010 0.000 0.947 447 D HN 0.333 nan 8.370 nan 0.000 0.509 448 R N 0.849 121.471 120.500 0.203 0.000 2.211 448 R HA -0.070 4.282 4.340 0.020 0.000 0.240 448 R C 0.849 177.161 176.300 0.020 0.000 1.144 448 R CA 1.036 57.264 56.100 0.214 0.000 0.992 448 R CB -0.365 29.998 30.300 0.106 0.000 0.869 448 R HN -0.042 nan 8.270 nan 0.000 0.462 449 N N 0.286 118.918 118.700 -0.113 0.000 2.412 449 N HA -0.014 4.738 4.740 0.020 0.000 0.184 449 N C -0.395 174.986 175.510 -0.215 0.000 1.101 449 N CA 0.359 53.303 53.050 -0.178 0.000 0.881 449 N CB 0.012 38.352 38.487 -0.246 0.000 0.969 449 N HN 0.319 nan 8.380 nan 0.000 0.459 450 H N 1.193 120.216 119.070 -0.080 0.000 2.742 450 H HA 0.098 4.666 4.556 0.019 0.000 0.302 450 H C -1.206 173.986 175.328 -0.226 0.000 1.069 450 H CA -1.211 54.772 56.048 -0.108 0.000 1.446 450 H CB 1.517 31.251 29.762 -0.047 0.000 1.462 450 H HN 0.067 nan 8.280 nan 0.000 0.499 451 P HA -0.125 nan 4.420 nan 0.000 0.221 451 P C 1.402 178.247 177.300 -0.758 0.000 1.150 451 P CA 0.874 63.644 63.100 -0.549 0.000 0.800 451 P CB 0.281 31.451 31.700 -0.884 0.000 0.787 452 S N -0.602 114.743 115.700 -0.593 0.000 2.399 452 S HA -0.060 4.422 4.470 0.020 0.000 0.231 452 S C 1.153 175.703 174.600 -0.083 0.000 1.022 452 S CA 0.473 58.488 58.200 -0.310 0.000 0.983 452 S CB -1.603 61.546 63.200 -0.085 0.000 0.803 452 S HN -0.049 nan 8.310 nan 0.000 0.480 453 V N 3.797 123.645 119.914 -0.110 0.000 2.421 453 V HA 0.200 4.332 4.120 0.020 0.000 0.271 453 V C 1.102 177.054 176.094 -0.235 0.000 1.031 453 V CA 0.081 62.286 62.300 -0.159 0.000 1.032 453 V CB 0.172 31.819 31.823 -0.293 0.000 1.009 453 V HN 0.635 nan 8.190 nan 0.000 0.477 454 I N 2.726 123.213 120.570 -0.139 0.000 4.181 454 I HA 0.506 4.688 4.170 0.020 0.000 0.331 454 I C 0.366 176.368 176.117 -0.193 0.000 1.312 454 I CA 0.497 61.727 61.300 -0.117 0.000 1.146 454 I CB 0.447 38.467 38.000 0.032 0.000 1.074 454 I HN 0.317 nan 8.210 nan 0.000 0.402 455 I N 0.004 120.423 120.570 -0.252 0.000 2.722 455 I HA 0.372 4.554 4.170 0.020 0.000 0.295 455 I C -1.532 174.424 176.117 -0.269 0.000 1.161 455 I CA -0.430 60.747 61.300 -0.205 0.000 1.032 455 I CB 2.066 40.056 38.000 -0.016 0.000 1.244 455 I HN 0.005 nan 8.210 nan 0.000 0.421 456 W N 3.453 124.796 121.300 0.072 0.000 2.512 456 W HA 0.653 5.323 4.660 0.016 0.000 0.335 456 W C 0.362 176.941 176.519 0.100 0.000 1.088 456 W CA -0.595 56.799 57.345 0.082 0.000 1.236 456 W CB 1.649 31.151 29.460 0.071 0.000 1.307 456 W HN 0.296 nan 8.180 nan 0.000 0.567 457 S N 2.239 118.176 115.700 0.394 0.000 2.521 457 S HA 0.390 4.872 4.470 0.020 0.000 0.295 457 S C 0.265 175.038 174.600 0.287 0.000 1.098 457 S CA -0.686 57.691 58.200 0.295 0.000 0.999 457 S CB 0.824 64.150 63.200 0.211 0.000 1.034 457 S HN 0.578 nan 8.310 nan 0.000 0.483 458 L N 4.073 125.458 121.223 0.270 0.000 2.610 458 L HA 0.320 4.672 4.340 0.020 0.000 0.232 458 L C 1.454 178.401 176.870 0.129 0.000 1.149 458 L CA 0.668 55.588 54.840 0.134 0.000 0.872 458 L CB -0.973 41.039 42.059 -0.078 0.000 0.992 458 L HN 0.989 nan 8.230 nan 0.000 0.447 459 G N -0.225 108.733 108.800 0.263 0.000 2.250 459 G HA2 -0.123 3.849 3.960 0.020 0.000 0.252 459 G HA3 -0.123 3.849 3.960 0.020 0.000 0.252 459 G C -1.635 173.460 174.900 0.325 0.000 1.325 459 G CA -0.542 44.718 45.100 0.267 0.000 1.091 459 G HN 0.140 nan 8.290 nan 0.000 0.476 460 N N 0.326 119.156 118.700 0.218 0.000 2.371 460 N HA 0.471 5.223 4.740 0.020 0.000 0.280 460 N C -0.580 174.902 175.510 -0.047 0.000 1.084 460 N CA 0.046 53.083 53.050 -0.023 0.000 0.892 460 N CB 1.662 39.849 38.487 -0.500 0.000 1.653 460 N HN 0.851 nan 8.380 nan 0.000 0.480 461 E N 0.977 121.078 120.200 -0.166 0.000 2.202 461 E HA -0.178 4.184 4.350 0.020 0.000 0.169 461 E C -0.815 175.727 176.600 -0.096 0.000 1.536 461 E CA 0.756 56.978 56.400 -0.297 0.000 0.664 461 E CB -1.166 28.139 29.700 -0.659 0.000 1.064 461 E HN 0.460 nan 8.360 nan 0.000 0.327 462 S N 0.070 115.849 115.700 0.131 0.000 2.952 462 S HA 0.385 4.867 4.470 0.020 0.000 0.251 462 S C 0.620 175.406 174.600 0.310 0.000 1.021 462 S CA -0.128 58.209 58.200 0.228 0.000 1.067 462 S CB 1.436 64.825 63.200 0.315 0.000 1.002 462 S HN 0.881 nan 8.310 nan 0.000 0.574 463 G N 2.078 110.998 108.800 0.200 0.000 2.601 463 G HA2 -0.264 3.708 3.960 0.020 0.000 0.261 463 G HA3 -0.264 3.708 3.960 0.020 0.000 0.261 463 G C -0.502 174.645 174.900 0.412 0.000 1.289 463 G CA -0.004 45.219 45.100 0.206 0.000 0.920 463 G HN 0.678 nan 8.290 nan 0.000 0.571 464 H N 0.285 119.501 119.070 0.243 0.000 2.823 464 H HA 0.586 5.153 4.556 0.019 0.000 0.332 464 H C 0.355 175.869 175.328 0.310 0.000 0.980 464 H CA -0.156 56.090 56.048 0.329 0.000 1.286 464 H CB 0.798 30.677 29.762 0.195 0.000 1.541 464 H HN 1.075 nan 8.280 nan 0.000 0.521 465 G N 1.415 110.434 108.800 0.365 0.000 2.788 465 G HA2 0.450 4.422 3.960 0.020 0.000 0.293 465 G HA3 0.450 4.422 3.960 0.020 0.000 0.293 465 G C 0.560 175.400 174.900 -0.100 0.000 1.305 465 G CA -0.196 44.874 45.100 -0.051 0.000 1.005 465 G HN 0.676 nan 8.290 nan 0.000 0.496 466 A N -0.120 122.633 122.820 -0.110 0.000 2.024 466 A HA -0.087 4.245 4.320 0.020 0.000 0.220 466 A C 2.103 179.683 177.584 -0.007 0.000 1.164 466 A CA 1.946 53.953 52.037 -0.049 0.000 0.643 466 A CB -0.472 18.505 19.000 -0.038 0.000 0.806 466 A HN 0.508 nan 8.150 nan 0.000 0.451 467 N N -0.262 118.395 118.700 -0.072 0.000 2.223 467 N HA -0.133 4.619 4.740 0.020 0.000 0.185 467 N C 1.372 176.849 175.510 -0.055 0.000 1.016 467 N CA 1.699 54.692 53.050 -0.094 0.000 0.863 467 N CB -0.627 37.760 38.487 -0.166 0.000 0.983 467 N HN 0.794 nan 8.380 nan 0.000 0.429 468 H N 0.100 119.183 119.070 0.022 0.000 2.357 468 H HA 0.014 4.582 4.556 0.019 0.000 0.301 468 H C 1.223 176.632 175.328 0.134 0.000 1.082 468 H CA 1.112 57.174 56.048 0.024 0.000 1.342 468 H CB 0.187 29.954 29.762 0.009 0.000 1.389 468 H HN 0.201 nan 8.280 nan 0.000 0.511 469 D N 0.518 121.100 120.400 0.303 0.000 2.117 469 D HA -0.107 4.545 4.640 0.020 0.000 0.198 469 D C 2.324 178.777 176.300 0.255 0.000 0.982 469 D CA 1.108 55.267 54.000 0.265 0.000 0.828 469 D CB -0.280 40.644 40.800 0.207 0.000 0.967 469 D HN 0.412 nan 8.370 nan 0.000 0.464 470 A N 1.107 124.031 122.820 0.173 0.000 1.877 470 A HA -0.129 4.203 4.320 0.020 0.000 0.216 470 A C 2.412 180.111 177.584 0.190 0.000 1.186 470 A CA 0.973 53.102 52.037 0.153 0.000 0.620 470 A CB -0.820 18.231 19.000 0.084 0.000 0.822 470 A HN 0.188 nan 8.150 nan 0.000 0.443 471 L N -2.043 119.279 121.223 0.165 0.000 2.201 471 L HA -0.146 4.206 4.340 0.020 0.000 0.212 471 L C 2.552 179.567 176.870 0.241 0.000 1.105 471 L CA 1.454 56.394 54.840 0.167 0.000 0.775 471 L CB -0.622 41.469 42.059 0.053 0.000 0.913 471 L HN 0.637 nan 8.230 nan 0.000 0.440 472 Y N 1.133 121.519 120.300 0.143 0.000 2.145 472 Y HA -0.302 4.255 4.550 0.013 0.000 0.286 472 Y C 2.804 178.780 175.900 0.127 0.000 1.145 472 Y CA 1.645 59.826 58.100 0.134 0.000 1.148 472 Y CB -0.079 38.456 38.460 0.126 0.000 0.981 472 Y HN -0.044 nan 8.280 nan 0.000 0.507 473 R N -0.151 120.500 120.500 0.252 0.000 2.092 473 R HA -0.183 4.169 4.340 0.020 0.000 0.231 473 R C 2.043 178.360 176.300 0.029 0.000 1.119 473 R CA 1.842 58.004 56.100 0.103 0.000 0.970 473 R CB -1.331 29.087 30.300 0.196 0.000 0.864 473 R HN 0.653 nan 8.270 nan 0.000 0.440 474 W N 0.478 121.743 121.300 -0.057 0.000 2.338 474 W HA -0.168 4.505 4.660 0.022 0.000 0.304 474 W C 1.492 177.923 176.519 -0.147 0.000 1.212 474 W CA 1.930 59.224 57.345 -0.086 0.000 1.264 474 W CB -0.226 29.188 29.460 -0.077 0.000 1.142 474 W HN 0.088 nan 8.180 nan 0.000 0.512 475 I N 0.941 121.457 120.570 -0.089 0.000 2.142 475 I HA -0.360 3.822 4.170 0.020 0.000 0.240 475 I C 2.521 178.412 176.117 -0.377 0.000 1.078 475 I CA 1.461 62.552 61.300 -0.349 0.000 1.343 475 I CB -0.777 37.097 38.000 -0.209 0.000 1.046 475 I HN -0.148 nan 8.210 nan 0.000 0.405 476 K N 0.370 120.572 120.400 -0.330 0.000 2.160 476 K HA -0.195 4.137 4.320 0.020 0.000 0.206 476 K C 2.277 178.734 176.600 -0.239 0.000 1.047 476 K CA 1.535 57.659 56.287 -0.272 0.000 0.930 476 K CB -0.629 31.683 32.500 -0.313 0.000 0.720 476 K HN 0.265 nan 8.250 nan 0.000 0.450 477 S N 0.824 116.347 115.700 -0.295 0.000 2.355 477 S HA -0.096 4.386 4.470 0.020 0.000 0.222 477 S C 2.029 176.398 174.600 -0.384 0.000 1.031 477 S CA 1.383 59.407 58.200 -0.293 0.000 0.993 477 S CB -0.098 62.922 63.200 -0.300 0.000 0.859 477 S HN 0.199 nan 8.310 nan 0.000 0.453 478 V N -0.831 118.710 119.914 -0.621 0.000 2.788 478 V HA 0.270 4.402 4.120 0.020 0.000 0.251 478 V C 0.358 176.212 176.094 -0.401 0.000 1.068 478 V CA 1.219 63.152 62.300 -0.612 0.000 1.090 478 V CB -0.424 30.823 31.823 -0.959 0.000 0.710 478 V HN 0.452 nan 8.190 nan 0.000 0.467 479 D N 0.333 120.541 120.400 -0.320 0.000 2.358 479 D HA 0.425 5.077 4.640 0.020 0.000 0.253 479 D C -2.512 173.755 176.300 -0.054 0.000 1.288 479 D CA -1.956 51.961 54.000 -0.139 0.000 0.950 479 D CB 1.928 42.722 40.800 -0.009 0.000 1.197 479 D HN 0.116 nan 8.370 nan 0.000 0.550 480 P HA 0.031 nan 4.420 nan 0.000 0.249 480 P C 0.988 178.296 177.300 0.014 0.000 1.229 480 P CA 0.330 63.413 63.100 -0.028 0.000 0.788 480 P CB 0.283 31.962 31.700 -0.034 0.000 1.072 481 S N -1.269 114.448 115.700 0.030 0.000 2.607 481 S HA 0.093 4.575 4.470 0.020 0.000 0.224 481 S C 0.787 175.408 174.600 0.034 0.000 0.969 481 S CA -0.034 58.189 58.200 0.039 0.000 0.927 481 S CB -0.385 62.834 63.200 0.031 0.000 0.772 481 S HN 0.040 nan 8.310 nan 0.000 0.533 482 R N 0.993 121.525 120.500 0.054 0.000 2.621 482 R HA 0.522 4.874 4.340 0.020 0.000 0.284 482 R C -3.213 173.117 176.300 0.050 0.000 0.998 482 R CA -2.194 53.905 56.100 -0.002 0.000 0.895 482 R CB 1.474 31.680 30.300 -0.156 0.000 1.195 482 R HN 0.137 nan 8.270 nan 0.000 0.450 483 P HA 0.078 nan 4.420 nan 0.000 0.271 483 P C -0.753 176.629 177.300 0.138 0.000 1.244 483 P CA -0.388 62.757 63.100 0.075 0.000 0.793 483 P CB 0.609 32.345 31.700 0.059 0.000 0.984 484 V N 1.502 121.523 119.914 0.178 0.000 2.495 484 V HA 0.427 4.559 4.120 0.020 0.000 0.298 484 V C 0.206 176.470 176.094 0.284 0.000 1.031 484 V CA -0.284 62.169 62.300 0.255 0.000 0.871 484 V CB 1.145 33.067 31.823 0.164 0.000 0.988 484 V HN 0.629 nan 8.190 nan 0.000 0.432 485 Q N 3.687 123.642 119.800 0.258 0.000 2.528 485 Q HA 0.807 5.159 4.340 0.020 0.000 0.289 485 Q C -1.916 174.240 176.000 0.260 0.000 1.091 485 Q CA -0.950 54.977 55.803 0.207 0.000 0.797 485 Q CB 3.013 31.819 28.738 0.112 0.000 1.466 485 Q HN 0.620 nan 8.270 nan 0.000 0.436 486 Y N -0.119 120.187 120.300 0.010 0.000 2.424 486 Y HA 0.165 4.726 4.550 0.018 0.000 0.323 486 Y C -0.672 175.164 175.900 -0.106 0.000 1.174 486 Y CA -0.743 57.325 58.100 -0.053 0.000 1.060 486 Y CB 2.124 40.523 38.460 -0.102 0.000 1.314 486 Y HN 0.955 nan 8.280 nan 0.000 0.439 487 E N 3.194 122.909 120.200 -0.808 0.000 2.415 487 E HA 0.164 4.526 4.350 0.020 0.000 0.197 487 E C 0.557 176.717 176.600 -0.734 0.000 1.007 487 E CA 0.586 56.627 56.400 -0.598 0.000 0.890 487 E CB 0.349 29.826 29.700 -0.371 0.000 0.891 487 E HN 0.879 nan 8.360 nan 0.000 0.496 488 G N -0.157 107.809 108.800 -1.390 0.000 2.554 488 G HA2 0.274 4.246 3.960 0.020 0.000 0.238 488 G HA3 0.274 4.246 3.960 0.020 0.000 0.238 488 G C 0.786 175.537 174.900 -0.248 0.000 1.259 488 G CA 0.244 44.947 45.100 -0.661 0.000 0.843 488 G HN 0.317 nan 8.290 nan 0.000 0.582 489 G N -0.741 108.033 108.800 -0.043 0.000 2.147 489 G HA2 0.235 4.207 3.960 0.020 0.000 0.244 489 G HA3 0.235 4.207 3.960 0.020 0.000 0.244 489 G C 1.234 176.165 174.900 0.051 0.000 1.005 489 G CA 0.963 46.107 45.100 0.074 0.000 0.713 489 G HN 2.586 nan 8.290 nan 0.000 0.515 490 G N -1.511 107.308 108.800 0.031 0.000 2.229 490 G HA2 0.441 4.413 3.960 0.020 0.000 0.189 490 G HA3 0.441 4.413 3.960 0.020 0.000 0.189 490 G C 1.016 176.054 174.900 0.231 0.000 1.000 490 G CA 1.420 46.605 45.100 0.142 0.000 0.663 490 G HN 2.346 nan 8.290 nan 0.000 0.493 491 A N -0.223 122.608 122.820 0.018 0.000 3.383 491 A HA -0.091 4.241 4.320 0.020 0.000 0.264 491 A C 0.979 178.506 177.584 -0.095 0.000 1.154 491 A CA 2.533 54.516 52.037 -0.090 0.000 1.179 491 A CB -1.835 17.081 19.000 -0.139 0.000 1.133 491 A HN 2.106 nan 8.150 nan 0.000 0.933 492 D N -0.685 119.746 120.400 0.051 0.000 2.760 492 D HA 0.331 4.983 4.640 0.020 0.000 0.314 492 D C 0.424 176.733 176.300 0.015 0.000 1.464 492 D CA 0.806 54.835 54.000 0.049 0.000 0.797 492 D CB -1.134 39.825 40.800 0.265 0.000 1.149 492 D HN 0.787 nan 8.370 nan 0.000 0.455 493 T N -2.375 112.123 114.554 -0.092 0.000 2.715 493 T HA 0.187 4.549 4.350 0.020 0.000 0.320 493 T C 1.542 176.135 174.700 -0.179 0.000 1.046 493 T CA 0.547 62.541 62.100 -0.177 0.000 0.983 493 T CB 0.489 69.040 68.868 -0.529 0.000 1.183 493 T HN 0.100 nan 8.240 nan 0.000 0.522 494 T N -2.965 111.476 114.554 -0.189 0.000 3.148 494 T HA 0.360 4.722 4.350 0.020 0.000 0.253 494 T C 1.356 175.804 174.700 -0.421 0.000 1.134 494 T CA 0.076 62.061 62.100 -0.192 0.000 1.051 494 T CB -0.371 68.465 68.868 -0.054 0.000 0.959 494 T HN 0.812 nan 8.240 nan 0.000 0.525 495 A N 0.514 123.079 122.820 -0.425 0.000 2.545 495 A HA 0.550 4.882 4.320 0.020 0.000 0.277 495 A C 0.694 178.107 177.584 -0.285 0.000 1.301 495 A CA -0.392 51.343 52.037 -0.504 0.000 0.935 495 A CB 0.111 19.044 19.000 -0.110 0.000 1.093 495 A HN 0.411 nan 8.150 nan 0.000 0.519 496 T N -1.418 112.993 114.554 -0.239 0.000 2.952 496 T HA 0.366 4.728 4.350 0.020 0.000 0.305 496 T C -0.613 174.112 174.700 0.041 0.000 1.064 496 T CA -0.408 61.702 62.100 0.016 0.000 1.008 496 T CB 1.303 70.169 68.868 -0.002 0.000 1.078 496 T HN 0.080 nan 8.240 nan 0.000 0.459 497 D N 2.662 123.161 120.400 0.164 0.000 2.348 497 D HA 0.264 4.916 4.640 0.020 0.000 0.211 497 D C 0.378 176.706 176.300 0.048 0.000 0.998 497 D CA 0.713 54.793 54.000 0.132 0.000 0.873 497 D CB 0.408 41.313 40.800 0.175 0.000 0.925 497 D HN 0.545 nan 8.370 nan 0.000 0.524 498 I N 1.034 121.615 120.570 0.018 0.000 2.545 498 I HA 0.265 4.447 4.170 0.020 0.000 0.292 498 I C -0.145 175.905 176.117 -0.113 0.000 1.040 498 I CA -0.925 60.349 61.300 -0.043 0.000 1.068 498 I CB 2.755 40.739 38.000 -0.027 0.000 1.251 498 I HN -0.350 nan 8.210 nan 0.000 0.424 499 I N 5.692 126.150 120.570 -0.186 0.000 2.483 499 I HA 0.028 4.210 4.170 0.020 0.000 0.291 499 I C 0.278 176.182 176.117 -0.354 0.000 1.112 499 I CA 0.000 61.092 61.300 -0.348 0.000 1.350 499 I CB -0.019 37.676 38.000 -0.508 0.000 1.419 499 I HN 0.670 nan 8.210 nan 0.000 0.523 500 C N 5.857 124.969 119.300 -0.313 0.000 3.094 500 C HA 0.501 4.973 4.460 0.020 0.000 0.262 500 C C -2.025 172.823 174.990 -0.237 0.000 1.459 500 C CA -2.314 56.569 59.018 -0.224 0.000 1.570 500 C CB -1.078 26.591 27.740 -0.119 0.000 2.056 500 C HN 0.413 nan 8.230 nan 0.000 0.499 501 P HA 0.354 nan 4.420 nan 0.000 0.275 501 P C -0.469 176.778 177.300 -0.089 0.000 1.266 501 P CA 0.085 63.070 63.100 -0.192 0.000 0.793 501 P CB 0.694 32.283 31.700 -0.185 0.000 1.074 502 M N -0.852 118.735 119.600 -0.022 0.000 2.190 502 M HA 0.465 4.957 4.480 0.020 0.000 0.312 502 M C -0.985 175.289 176.300 -0.042 0.000 0.990 502 M CA -0.694 54.509 55.300 -0.161 0.000 0.927 502 M CB 1.314 33.846 32.600 -0.114 0.000 1.571 502 M HN 0.301 nan 8.290 nan 0.000 0.427 503 Y N -0.229 120.233 120.300 0.269 0.000 4.272 503 Y HA -0.197 4.366 4.550 0.021 0.000 0.232 503 Y C 0.404 176.467 175.900 0.272 0.000 1.149 503 Y CA 0.500 58.760 58.100 0.265 0.000 1.961 503 Y CB -2.264 36.318 38.460 0.203 0.000 1.611 503 Y HN 0.974 nan 8.280 nan 0.000 0.682 504 A N 0.957 123.972 122.820 0.325 0.000 2.388 504 A HA 0.637 4.969 4.320 0.020 0.000 0.257 504 A C 0.702 178.497 177.584 0.352 0.000 1.095 504 A CA -0.583 51.661 52.037 0.345 0.000 0.791 504 A CB 0.448 19.694 19.000 0.410 0.000 1.029 504 A HN 0.408 nan 8.150 nan 0.000 0.489 505 R N 1.312 121.951 120.500 0.232 0.000 2.637 505 R HA 0.285 4.637 4.340 0.020 0.000 0.269 505 R C 0.977 177.250 176.300 -0.046 0.000 1.089 505 R CA -0.583 55.583 56.100 0.110 0.000 1.177 505 R CB 0.527 30.858 30.300 0.051 0.000 1.091 505 R HN 0.495 nan 8.270 nan 0.000 0.540 506 V N 0.633 120.372 119.914 -0.292 0.000 2.323 506 V HA -0.180 3.952 4.120 0.020 0.000 0.244 506 V C 0.954 176.931 176.094 -0.195 0.000 1.041 506 V CA 1.818 63.901 62.300 -0.362 0.000 1.025 506 V CB -0.246 31.235 31.823 -0.571 0.000 0.656 506 V HN 0.765 nan 8.190 nan 0.000 0.451 507 D N -1.388 118.929 120.400 -0.138 0.000 2.479 507 D HA 0.096 4.748 4.640 0.020 0.000 0.216 507 D C 0.839 177.119 176.300 -0.032 0.000 1.110 507 D CA 0.019 53.972 54.000 -0.078 0.000 0.841 507 D CB 0.839 41.599 40.800 -0.068 0.000 1.040 507 D HN 0.466 nan 8.370 nan 0.000 0.505 508 E N 2.133 122.316 120.200 -0.028 0.000 2.130 508 E HA 0.095 4.457 4.350 0.020 0.000 0.284 508 E C -0.836 175.758 176.600 -0.010 0.000 1.018 508 E CA -0.561 55.830 56.400 -0.015 0.000 0.817 508 E CB 0.820 30.509 29.700 -0.018 0.000 1.078 508 E HN -0.171 nan 8.360 nan 0.000 0.396 509 D N 3.824 124.220 120.400 -0.007 0.000 2.341 509 D HA 0.094 4.746 4.640 0.020 0.000 0.245 509 D C -0.502 175.694 176.300 -0.173 0.000 1.106 509 D CA 0.313 54.297 54.000 -0.026 0.000 0.905 509 D CB 1.094 41.931 40.800 0.062 0.000 1.202 509 D HN 0.432 nan 8.370 nan 0.000 0.426 510 Q N 1.574 121.168 119.800 -0.344 0.000 3.064 510 Q HA 0.228 4.580 4.340 0.020 0.000 0.258 510 Q C -2.193 173.302 176.000 -0.841 0.000 0.972 510 Q CA -1.492 53.966 55.803 -0.575 0.000 0.761 510 Q CB 2.004 30.368 28.738 -0.623 0.000 1.281 510 Q HN 0.169 nan 8.270 nan 0.000 0.455 511 P HA -0.060 nan 4.420 nan 0.000 0.237 511 P C -0.628 176.384 177.300 -0.480 0.000 1.701 511 P CA 0.119 62.816 63.100 -0.670 0.000 0.955 511 P CB -0.695 30.789 31.700 -0.359 0.000 1.937 512 F N 2.321 122.095 119.950 -0.292 0.000 2.595 512 F HA 0.095 4.633 4.527 0.019 0.000 0.359 512 F C -1.018 174.680 175.800 -0.170 0.000 1.147 512 F CA -2.038 55.852 58.000 -0.183 0.000 1.341 512 F CB -0.617 38.298 39.000 -0.142 0.000 1.104 512 F HN 0.093 nan 8.300 nan 0.000 0.603 513 P HA 0.145 nan 4.420 nan 0.000 0.271 513 P C 0.247 177.571 177.300 0.039 0.000 1.216 513 P CA 0.786 63.912 63.100 0.043 0.000 0.771 513 P CB 1.282 33.004 31.700 0.036 0.000 0.864 514 A N 3.030 125.868 122.820 0.031 0.000 2.617 514 A HA -0.246 4.086 4.320 0.020 0.000 0.236 514 A C 0.748 178.356 177.584 0.040 0.000 0.551 514 A CA 1.997 54.058 52.037 0.039 0.000 1.144 514 A CB -2.734 16.286 19.000 0.034 0.000 1.384 514 A HN 0.725 nan 8.150 nan 0.000 0.694 515 V N -2.876 117.054 119.914 0.027 0.000 2.562 515 V HA 0.555 4.687 4.120 0.020 0.000 0.274 515 V C -2.200 173.888 176.094 -0.011 0.000 1.075 515 V CA -1.195 61.122 62.300 0.029 0.000 1.204 515 V CB 0.550 32.390 31.823 0.028 0.000 1.478 515 V HN 0.537 nan 8.190 nan 0.000 0.622 516 P HA 0.268 nan 4.420 nan 0.000 0.272 516 P C -0.628 176.218 177.300 -0.757 0.000 1.230 516 P CA 0.059 62.794 63.100 -0.608 0.000 0.788 516 P CB 1.066 31.915 31.700 -1.418 0.000 0.949 517 K N 2.237 122.256 120.400 -0.635 0.000 2.419 517 K HA 0.207 4.539 4.320 0.020 0.000 0.244 517 K C -0.398 175.882 176.600 -0.533 0.000 1.045 517 K CA -0.291 55.804 56.287 -0.320 0.000 1.004 517 K CB 0.250 32.819 32.500 0.115 0.000 1.376 517 K HN 0.462 nan 8.250 nan 0.000 0.460 518 W N 1.287 122.255 121.300 -0.553 0.000 2.112 518 W HA 0.034 4.707 4.660 0.021 0.000 0.349 518 W C 1.303 177.831 176.519 0.016 0.000 1.289 518 W CA -0.490 56.638 57.345 -0.362 0.000 1.256 518 W CB 0.354 29.414 29.460 -0.668 0.000 1.148 518 W HN 0.345 nan 8.180 nan 0.000 0.590 519 S N 3.212 119.062 115.700 0.251 0.000 2.546 519 S HA -0.044 4.438 4.470 0.020 0.000 0.290 519 S C 1.243 175.991 174.600 0.247 0.000 1.290 519 S CA -0.274 58.027 58.200 0.168 0.000 1.069 519 S CB 0.084 63.333 63.200 0.082 0.000 0.846 519 S HN 0.521 nan 8.310 nan 0.000 0.495 520 I N 2.495 123.187 120.570 0.203 0.000 2.264 520 I HA -0.198 3.984 4.170 0.020 0.000 0.248 520 I C 2.027 178.190 176.117 0.076 0.000 1.111 520 I CA 1.431 62.847 61.300 0.194 0.000 1.382 520 I CB -0.448 37.606 38.000 0.090 0.000 1.060 520 I HN 0.591 nan 8.210 nan 0.000 0.418 521 K N 1.453 121.800 120.400 -0.088 0.000 2.057 521 K HA -0.168 4.164 4.320 0.020 0.000 0.207 521 K C 2.324 178.963 176.600 0.065 0.000 1.049 521 K CA 1.838 58.020 56.287 -0.175 0.000 0.931 521 K CB -0.236 32.055 32.500 -0.348 0.000 0.714 521 K HN 0.401 nan 8.250 nan 0.000 0.440 522 K N -0.016 120.428 120.400 0.073 0.000 2.103 522 K HA -0.160 4.172 4.320 0.020 0.000 0.204 522 K C 1.844 178.492 176.600 0.080 0.000 1.052 522 K CA 0.799 57.117 56.287 0.051 0.000 0.945 522 K CB -0.066 32.431 32.500 -0.004 0.000 0.722 522 K HN 0.233 nan 8.250 nan 0.000 0.443 523 W N 2.128 123.438 121.300 0.017 0.000 2.342 523 W HA -0.176 4.494 4.660 0.017 0.000 0.297 523 W C 1.588 178.095 176.519 -0.019 0.000 1.213 523 W CA 1.056 58.411 57.345 0.017 0.000 1.251 523 W CB -0.446 29.093 29.460 0.132 0.000 1.136 523 W HN 0.093 nan 8.180 nan 0.000 0.526 524 L N 0.717 122.099 121.223 0.266 0.000 2.131 524 L HA -0.228 4.124 4.340 0.020 0.000 0.210 524 L C 2.343 179.278 176.870 0.109 0.000 1.092 524 L CA 1.905 56.842 54.840 0.161 0.000 0.759 524 L CB -0.904 41.245 42.059 0.149 0.000 0.903 524 L HN -0.039 nan 8.230 nan 0.000 0.435 525 S N -1.358 114.390 115.700 0.081 0.000 2.556 525 S HA 0.206 4.688 4.470 0.020 0.000 0.216 525 S C 0.693 175.277 174.600 -0.027 0.000 0.970 525 S CA -0.508 57.707 58.200 0.026 0.000 0.912 525 S CB -0.384 62.831 63.200 0.025 0.000 0.790 525 S HN 0.156 nan 8.310 nan 0.000 0.504 526 L N 2.338 123.530 121.223 -0.052 0.000 2.543 526 L HA 0.150 4.502 4.340 0.020 0.000 0.285 526 L C -2.165 174.664 176.870 -0.068 0.000 1.236 526 L CA -1.366 53.395 54.840 -0.130 0.000 0.871 526 L CB -0.370 41.587 42.059 -0.169 0.000 1.121 526 L HN 0.050 nan 8.230 nan 0.000 0.501 527 P HA -0.061 nan 4.420 nan 0.000 0.257 527 P C 0.817 178.101 177.300 -0.026 0.000 1.162 527 P CA 1.215 64.284 63.100 -0.052 0.000 0.762 527 P CB 0.441 32.105 31.700 -0.060 0.000 0.753 528 G N 2.076 110.869 108.800 -0.012 0.000 2.253 528 G HA2 -0.282 3.690 3.960 0.020 0.000 0.251 528 G HA3 -0.282 3.690 3.960 0.020 0.000 0.251 528 G C 0.298 175.207 174.900 0.015 0.000 0.998 528 G CA 0.165 45.266 45.100 0.002 0.000 0.621 528 G HN 0.629 nan 8.290 nan 0.000 0.524 529 E N 1.371 121.585 120.200 0.024 0.000 2.344 529 E HA 0.553 4.915 4.350 0.020 0.000 0.270 529 E C 1.357 177.977 176.600 0.034 0.000 1.021 529 E CA 0.868 57.295 56.400 0.046 0.000 0.887 529 E CB 0.727 30.480 29.700 0.089 0.000 0.997 529 E HN 0.583 nan 8.360 nan 0.000 0.429 530 T N 0.626 115.197 114.554 0.028 0.000 3.130 530 T HA 0.326 4.688 4.350 0.020 0.000 0.288 530 T C 0.567 175.272 174.700 0.009 0.000 0.936 530 T CA -0.490 61.621 62.100 0.018 0.000 0.897 530 T CB 0.077 68.953 68.868 0.014 0.000 1.178 530 T HN 0.251 nan 8.240 nan 0.000 0.543 531 R N 2.281 122.785 120.500 0.006 0.000 2.801 531 R HA 0.426 4.778 4.340 0.020 0.000 0.273 531 R C -2.474 173.806 176.300 -0.034 0.000 1.080 531 R CA -1.476 54.616 56.100 -0.013 0.000 1.197 531 R CB -0.119 30.167 30.300 -0.023 0.000 1.109 531 R HN 0.228 nan 8.270 nan 0.000 0.535 532 P HA 0.152 nan 4.420 nan 0.000 0.278 532 P C -1.156 176.071 177.300 -0.120 0.000 1.258 532 P CA -0.232 62.822 63.100 -0.076 0.000 0.811 532 P CB 0.718 32.369 31.700 -0.082 0.000 1.063 533 L N 1.976 123.106 121.223 -0.155 0.000 2.404 533 L HA 0.559 4.911 4.340 0.020 0.000 0.272 533 L C -1.214 175.503 176.870 -0.256 0.000 0.980 533 L CA -0.572 54.137 54.840 -0.217 0.000 0.836 533 L CB 0.573 42.504 42.059 -0.214 0.000 1.238 533 L HN 0.223 nan 8.230 nan 0.000 0.408 534 I N 5.467 125.891 120.570 -0.243 0.000 2.468 534 I HA 0.282 4.464 4.170 0.020 0.000 0.285 534 I C -0.698 175.312 176.117 -0.178 0.000 1.039 534 I CA -0.558 60.577 61.300 -0.276 0.000 1.074 534 I CB 1.995 39.885 38.000 -0.184 0.000 1.228 534 I HN 0.469 nan 8.210 nan 0.000 0.436 535 L N 5.702 126.792 121.223 -0.222 0.000 2.455 535 L HA 0.045 4.397 4.340 0.020 0.000 0.272 535 L C 1.437 178.385 176.870 0.130 0.000 1.174 535 L CA -0.123 54.662 54.840 -0.092 0.000 0.869 535 L CB 0.612 42.592 42.059 -0.133 0.000 1.130 535 L HN 0.850 nan 8.230 nan 0.000 0.474 536 C N -0.125 119.233 119.300 0.096 0.000 2.468 536 C HA 0.167 4.639 4.460 0.020 0.000 0.277 536 C C 0.590 175.727 174.990 0.245 0.000 1.400 536 C CA -0.261 58.860 59.018 0.171 0.000 1.770 536 C CB -1.107 26.644 27.740 0.019 0.000 1.905 536 C HN 0.820 nan 8.230 nan 0.000 0.519 537 E N -0.610 119.677 120.200 0.146 0.000 2.304 537 E HA 0.607 4.969 4.350 0.020 0.000 0.277 537 E C -1.366 175.165 176.600 -0.116 0.000 0.898 537 E CA -0.375 56.101 56.400 0.127 0.000 0.764 537 E CB 1.937 31.628 29.700 -0.015 0.000 1.216 537 E HN 0.679 nan 8.360 nan 0.000 0.419 538 Y N -1.016 119.245 120.300 -0.064 0.000 2.689 538 Y HA 0.631 5.194 4.550 0.021 0.000 0.333 538 Y C -0.643 175.401 175.900 0.241 0.000 1.208 538 Y CA -0.932 57.117 58.100 -0.085 0.000 1.055 538 Y CB 0.908 39.205 38.460 -0.272 0.000 1.304 538 Y HN 0.641 nan 8.280 nan 0.000 0.455 539 A N 1.920 124.788 122.820 0.079 0.000 2.303 539 A HA -0.271 4.061 4.320 0.020 0.000 0.286 539 A C -0.333 177.381 177.584 0.217 0.000 1.429 539 A CA 1.103 53.200 52.037 0.100 0.000 0.738 539 A CB -2.474 16.462 19.000 -0.107 0.000 1.149 539 A HN 1.092 nan 8.150 nan 0.000 0.364 540 H N 0.678 119.929 119.070 0.302 0.000 3.184 540 H HA 0.254 4.822 4.556 0.020 0.000 0.274 540 H C 1.105 176.510 175.328 0.128 0.000 0.962 540 H CA 0.758 56.997 56.048 0.318 0.000 1.441 540 H CB 0.521 30.382 29.762 0.164 0.000 1.518 540 H HN 0.812 nan 8.280 nan 0.000 0.539 541 A N 6.746 129.472 122.820 -0.156 0.000 2.840 541 A HA 0.073 4.405 4.320 0.020 0.000 0.269 541 A C 0.788 178.202 177.584 -0.283 0.000 1.439 541 A CA -0.402 51.506 52.037 -0.215 0.000 1.083 541 A CB -0.610 18.239 19.000 -0.252 0.000 1.019 541 A HN 0.796 nan 8.150 nan 0.000 0.607 542 M N 1.408 120.835 119.600 -0.288 0.000 2.108 542 M HA 0.461 4.953 4.480 0.020 0.000 0.347 542 M C 0.945 177.075 176.300 -0.283 0.000 1.326 542 M CA 1.201 56.332 55.300 -0.282 0.000 1.126 542 M CB -0.115 32.344 32.600 -0.235 0.000 1.606 542 M HN 0.823 nan 8.290 nan 0.000 0.462 543 G N 4.325 112.941 108.800 -0.306 0.000 2.550 543 G HA2 -0.339 3.633 3.960 0.020 0.000 0.277 543 G HA3 -0.339 3.633 3.960 0.020 0.000 0.277 543 G C -0.188 174.215 174.900 -0.827 0.000 1.190 543 G CA 0.096 44.834 45.100 -0.604 0.000 0.971 543 G HN 0.826 nan 8.290 nan 0.000 0.559 544 N N 1.431 119.536 118.700 -0.992 0.000 2.605 544 N HA 0.498 5.250 4.740 0.020 0.000 0.258 544 N C -0.002 175.282 175.510 -0.377 0.000 1.156 544 N CA 1.059 53.707 53.050 -0.670 0.000 1.008 544 N CB 0.369 38.501 38.487 -0.591 0.000 1.354 544 N HN 0.761 nan 8.380 nan 0.000 0.509 545 S N 1.784 117.333 115.700 -0.251 0.000 2.900 545 S HA 0.647 5.129 4.470 0.020 0.000 0.320 545 S C 0.075 174.614 174.600 -0.102 0.000 1.130 545 S CA -0.352 57.751 58.200 -0.161 0.000 0.863 545 S CB 0.316 63.436 63.200 -0.134 0.000 1.295 545 S HN 0.341 nan 8.310 nan 0.000 0.596 546 L N -0.025 121.172 121.223 -0.044 0.000 4.692 546 L HA -0.059 4.293 4.340 0.020 0.000 0.400 546 L C 0.599 177.514 176.870 0.074 0.000 0.912 546 L CA 0.881 55.719 54.840 -0.003 0.000 1.662 546 L CB -1.854 40.122 42.059 -0.138 0.000 1.814 546 L HN 0.723 nan 8.230 nan 0.000 0.580 547 G N -0.583 108.232 108.800 0.025 0.000 2.334 547 G HA2 0.469 4.441 3.960 0.020 0.000 0.261 547 G HA3 0.469 4.441 3.960 0.020 0.000 0.261 547 G C 1.231 176.180 174.900 0.081 0.000 1.257 547 G CA 0.326 45.424 45.100 -0.004 0.000 0.935 547 G HN 1.386 nan 8.290 nan 0.000 0.480 548 G N 1.968 110.811 108.800 0.072 0.000 2.141 548 G HA2 -0.305 3.667 3.960 0.020 0.000 0.242 548 G HA3 -0.305 3.667 3.960 0.020 0.000 0.242 548 G C 0.949 176.022 174.900 0.290 0.000 0.982 548 G CA 0.639 45.820 45.100 0.134 0.000 0.662 548 G HN 0.760 nan 8.290 nan 0.000 0.527 549 F N 1.726 121.789 119.950 0.189 0.000 2.120 549 F HA 0.045 4.584 4.527 0.020 0.000 0.300 549 F C 2.654 178.646 175.800 0.320 0.000 1.095 549 F CA 2.492 60.673 58.000 0.302 0.000 1.249 549 F CB -0.524 38.589 39.000 0.188 0.000 0.995 549 F HN 0.383 nan 8.300 nan 0.000 0.480 550 A N -0.578 122.374 122.820 0.221 0.000 2.019 550 A HA -0.233 4.099 4.320 0.020 0.000 0.219 550 A C 2.291 179.865 177.584 -0.017 0.000 1.164 550 A CA 1.692 53.783 52.037 0.090 0.000 0.644 550 A CB -0.779 18.285 19.000 0.107 0.000 0.805 550 A HN 0.446 nan 8.150 nan 0.000 0.449 551 K N -1.788 118.588 120.400 -0.040 0.000 2.148 551 K HA -0.134 4.198 4.320 0.020 0.000 0.204 551 K C 1.623 177.985 176.600 -0.397 0.000 1.050 551 K CA 1.354 57.539 56.287 -0.170 0.000 0.942 551 K CB -0.252 32.143 32.500 -0.176 0.000 0.724 551 K HN 0.613 nan 8.250 nan 0.000 0.446 552 Y N -0.954 119.073 120.300 -0.455 0.000 2.163 552 Y HA -0.221 4.340 4.550 0.019 0.000 0.288 552 Y C 1.899 176.837 175.900 -1.602 0.000 1.136 552 Y CA 1.436 58.929 58.100 -1.011 0.000 1.147 552 Y CB -0.241 37.596 38.460 -1.038 0.000 0.987 552 Y HN 0.146 nan 8.280 nan 0.000 0.509 553 W N 0.104 120.895 121.300 -0.848 0.000 2.342 553 W HA -0.235 4.438 4.660 0.022 0.000 0.297 553 W C 2.609 178.913 176.519 -0.357 0.000 1.213 553 W CA 1.551 58.538 57.345 -0.596 0.000 1.251 553 W CB -0.533 28.677 29.460 -0.416 0.000 1.136 553 W HN 0.073 nan 8.180 nan 0.000 0.526 554 Q N 0.757 120.445 119.800 -0.187 0.000 2.084 554 Q HA -0.155 4.197 4.340 0.020 0.000 0.202 554 Q C 2.218 178.135 176.000 -0.138 0.000 0.978 554 Q CA 2.102 57.838 55.803 -0.113 0.000 0.844 554 Q CB -0.685 28.004 28.738 -0.082 0.000 0.898 554 Q HN 0.268 nan 8.270 nan 0.000 0.426 555 A N -0.088 122.560 122.820 -0.286 0.000 1.898 555 A HA -0.087 4.245 4.320 0.020 0.000 0.216 555 A C 2.075 179.599 177.584 -0.100 0.000 1.181 555 A CA 0.988 52.874 52.037 -0.251 0.000 0.620 555 A CB -1.021 17.714 19.000 -0.441 0.000 0.819 555 A HN 0.468 nan 8.150 nan 0.000 0.442 556 F N -0.461 119.296 119.950 -0.322 0.000 2.161 556 F HA -0.208 4.332 4.527 0.021 0.000 0.300 556 F C 2.766 178.454 175.800 -0.187 0.000 1.089 556 F CA 1.093 58.878 58.000 -0.359 0.000 1.282 556 F CB -0.165 38.413 39.000 -0.704 0.000 1.010 556 F HN 0.159 nan 8.300 nan 0.000 0.485 557 R N 0.091 120.623 120.500 0.054 0.000 2.090 557 R HA -0.159 4.193 4.340 0.020 0.000 0.228 557 R C 2.158 178.487 176.300 0.050 0.000 1.110 557 R CA 1.172 57.296 56.100 0.039 0.000 0.973 557 R CB -0.364 29.954 30.300 0.030 0.000 0.869 557 R HN 0.343 nan 8.270 nan 0.000 0.440 558 Q N -0.434 119.427 119.800 0.100 0.000 2.172 558 Q HA -0.078 4.274 4.340 0.020 0.000 0.200 558 Q C -0.487 175.596 176.000 0.138 0.000 0.964 558 Q CA 1.020 56.903 55.803 0.134 0.000 0.855 558 Q CB 0.340 29.212 28.738 0.224 0.000 0.918 558 Q HN 0.166 nan 8.270 nan 0.000 0.444 559 Y N 0.082 120.357 120.300 -0.041 0.000 2.342 559 Y HA 0.278 4.839 4.550 0.019 0.000 0.338 559 Y C -1.792 174.075 175.900 -0.056 0.000 0.965 559 Y CA -3.021 55.054 58.100 -0.041 0.000 1.159 559 Y CB 1.403 39.843 38.460 -0.033 0.000 1.157 559 Y HN 0.106 nan 8.280 nan 0.000 0.486 560 P HA -0.176 nan 4.420 nan 0.000 0.215 560 P C 1.099 178.387 177.300 -0.020 0.000 1.157 560 P CA 1.901 64.989 63.100 -0.019 0.000 0.874 560 P CB 0.322 31.995 31.700 -0.045 0.000 0.790 561 R N -1.123 119.382 120.500 0.009 0.000 2.316 561 R HA 0.084 4.436 4.340 0.020 0.000 0.202 561 R C 0.464 176.737 176.300 -0.046 0.000 1.029 561 R CA 0.126 56.217 56.100 -0.016 0.000 1.018 561 R CB -0.544 29.758 30.300 0.003 0.000 0.888 561 R HN 0.253 nan 8.270 nan 0.000 0.471 562 L N 1.888 123.100 121.223 -0.018 0.000 2.295 562 L HA 0.118 4.470 4.340 0.020 0.000 0.288 562 L C 0.556 177.257 176.870 -0.283 0.000 1.079 562 L CA 0.191 54.966 54.840 -0.108 0.000 0.830 562 L CB 1.100 43.163 42.059 0.008 0.000 1.200 562 L HN 0.070 nan 8.230 nan 0.000 0.438 563 Q N 2.946 122.492 119.800 -0.422 0.000 2.201 563 Q HA 0.326 4.678 4.340 0.020 0.000 0.236 563 Q C 0.802 176.324 176.000 -0.796 0.000 0.857 563 Q CA 0.066 55.572 55.803 -0.496 0.000 1.025 563 Q CB 1.070 29.625 28.738 -0.304 0.000 1.124 563 Q HN 0.964 nan 8.270 nan 0.000 0.473 564 G N -0.360 107.503 108.800 -1.563 0.000 2.451 564 G HA2 0.098 4.070 3.960 0.020 0.000 0.208 564 G HA3 0.098 4.070 3.960 0.020 0.000 0.208 564 G C -0.215 173.794 174.900 -1.485 0.000 1.248 564 G CA -0.726 43.169 45.100 -2.009 0.000 0.989 564 G HN 0.624 nan 8.290 nan 0.000 0.559 565 G N -2.361 105.923 108.800 -0.860 0.000 2.320 565 G HA2 0.631 4.603 3.960 0.020 0.000 0.296 565 G HA3 0.631 4.603 3.960 0.020 0.000 0.296 565 G C -1.804 173.051 174.900 -0.075 0.000 1.306 565 G CA -0.195 44.607 45.100 -0.496 0.000 0.836 565 G HN 1.209 nan 8.290 nan 0.000 0.517 566 F N 0.635 120.849 119.950 0.441 0.000 2.403 566 F HA 0.539 5.077 4.527 0.018 0.000 0.355 566 F C 0.758 176.846 175.800 0.480 0.000 1.119 566 F CA -0.775 57.496 58.000 0.452 0.000 1.007 566 F CB 2.012 41.162 39.000 0.250 0.000 1.194 566 F HN 0.262 nan 8.300 nan 0.000 0.443 567 V N 3.288 123.484 119.914 0.471 0.000 2.872 567 V HA -0.111 4.021 4.120 0.020 0.000 0.307 567 V C -0.310 175.921 176.094 0.229 0.000 1.072 567 V CA -0.221 62.123 62.300 0.072 0.000 1.148 567 V CB 0.916 32.809 31.823 0.117 0.000 0.954 567 V HN 0.776 nan 8.190 nan 0.000 0.490 568 W N 6.413 127.773 121.300 0.100 0.000 2.296 568 W HA 0.465 5.137 4.660 0.019 0.000 0.316 568 W C -0.900 175.623 176.519 0.007 0.000 1.022 568 W CA -0.661 56.788 57.345 0.174 0.000 1.324 568 W CB 1.287 31.023 29.460 0.460 0.000 1.227 568 W HN 0.903 nan 8.180 nan 0.000 0.409 569 D N 2.784 122.914 120.400 -0.449 0.000 2.759 569 D HA 0.068 4.720 4.640 0.020 0.000 0.321 569 D C 0.643 176.695 176.300 -0.413 0.000 1.267 569 D CA -0.567 52.999 54.000 -0.724 0.000 0.933 569 D CB 0.201 39.871 40.800 -1.883 0.000 1.431 569 D HN 0.407 nan 8.370 nan 0.000 0.504 570 W N 0.552 121.523 121.300 -0.550 0.000 2.352 570 W HA 0.040 4.712 4.660 0.020 0.000 0.322 570 W C 0.034 176.318 176.519 -0.392 0.000 1.208 570 W CA 1.429 58.510 57.345 -0.441 0.000 1.286 570 W CB 0.231 29.460 29.460 -0.385 0.000 1.167 570 W HN 0.163 nan 8.180 nan 0.000 0.469 571 V N 2.197 121.877 119.914 -0.389 0.000 2.735 571 V HA 0.224 4.356 4.120 0.020 0.000 0.310 571 V C -0.858 175.030 176.094 -0.344 0.000 1.061 571 V CA -0.813 61.221 62.300 -0.443 0.000 0.913 571 V CB 1.591 33.274 31.823 -0.234 0.000 1.005 571 V HN -0.106 nan 8.190 nan 0.000 0.428 572 D N 3.812 124.018 120.400 -0.323 0.000 2.493 572 D HA 0.134 4.786 4.640 0.020 0.000 0.240 572 D C 0.180 176.294 176.300 -0.311 0.000 1.142 572 D CA 0.533 54.392 54.000 -0.235 0.000 0.872 572 D CB 0.812 41.562 40.800 -0.084 0.000 1.173 572 D HN 0.622 nan 8.370 nan 0.000 0.467 573 Q N 0.864 120.417 119.800 -0.412 0.000 3.150 573 Q HA 0.203 4.555 4.340 0.020 0.000 0.297 573 Q C -0.204 175.792 176.000 -0.007 0.000 1.382 573 Q CA -0.452 54.862 55.803 -0.815 0.000 1.059 573 Q CB -0.170 28.214 28.738 -0.591 0.000 1.559 573 Q HN 0.279 nan 8.270 nan 0.000 0.548 574 S N 0.588 116.398 115.700 0.183 0.000 2.541 574 S HA 0.636 5.118 4.470 0.020 0.000 0.283 574 S C -0.108 174.672 174.600 0.300 0.000 1.196 574 S CA -0.816 57.586 58.200 0.337 0.000 1.062 574 S CB 1.439 64.805 63.200 0.278 0.000 1.009 574 S HN 0.395 nan 8.310 nan 0.000 0.502 575 L N 1.873 123.170 121.223 0.124 0.000 2.358 575 L HA 0.541 4.893 4.340 0.020 0.000 0.268 575 L C -0.112 176.664 176.870 -0.157 0.000 1.032 575 L CA -1.260 53.514 54.840 -0.111 0.000 0.805 575 L CB 0.958 42.789 42.059 -0.379 0.000 1.253 575 L HN 0.546 nan 8.230 nan 0.000 0.452 576 I N 2.033 122.460 120.570 -0.239 0.000 2.325 576 I HA 0.223 4.405 4.170 0.020 0.000 0.291 576 I C -0.027 175.734 176.117 -0.594 0.000 1.019 576 I CA -0.024 61.026 61.300 -0.418 0.000 1.302 576 I CB 1.047 38.805 38.000 -0.403 0.000 1.401 576 I HN 0.524 nan 8.210 nan 0.000 0.485 577 K N 5.998 125.790 120.400 -1.014 0.000 2.259 577 K HA 0.509 4.841 4.320 0.020 0.000 0.252 577 K C -1.533 174.454 176.600 -1.020 0.000 0.936 577 K CA -0.609 54.991 56.287 -1.145 0.000 0.810 577 K CB 2.187 33.630 32.500 -1.761 0.000 1.143 577 K HN 0.240 nan 8.250 nan 0.000 0.427 578 Y N 1.128 121.319 120.300 -0.183 0.000 2.364 578 Y HA 0.130 4.692 4.550 0.020 0.000 0.340 578 Y C 0.266 176.294 175.900 0.213 0.000 0.975 578 Y CA -1.327 56.815 58.100 0.070 0.000 1.089 578 Y CB 1.097 39.558 38.460 0.003 0.000 1.192 578 Y HN 0.677 nan 8.280 nan 0.000 0.454 579 D N 0.447 121.062 120.400 0.360 0.000 2.414 579 D HA -0.007 4.645 4.640 0.020 0.000 0.251 579 D C 1.091 177.456 176.300 0.108 0.000 1.252 579 D CA -0.383 53.707 54.000 0.150 0.000 0.999 579 D CB 0.493 41.285 40.800 -0.012 0.000 1.093 579 D HN 0.749 nan 8.370 nan 0.000 0.515 580 E N -0.065 120.162 120.200 0.045 0.000 2.273 580 E HA -0.305 4.057 4.350 0.020 0.000 0.198 580 E C 0.401 177.020 176.600 0.031 0.000 1.002 580 E CA 1.178 57.595 56.400 0.029 0.000 0.828 580 E CB -0.561 29.143 29.700 0.007 0.000 0.747 580 E HN 0.377 nan 8.360 nan 0.000 0.491 581 N N 0.594 119.320 118.700 0.043 0.000 2.398 581 N HA 0.103 4.855 4.740 0.020 0.000 0.188 581 N C 0.690 176.237 175.510 0.061 0.000 1.122 581 N CA 0.913 53.988 53.050 0.041 0.000 0.866 581 N CB 0.764 39.272 38.487 0.035 0.000 0.970 581 N HN 0.397 nan 8.380 nan 0.000 0.462 582 G N 0.572 109.431 108.800 0.097 0.000 2.272 582 G HA2 -0.266 3.706 3.960 0.020 0.000 0.280 582 G HA3 -0.266 3.706 3.960 0.020 0.000 0.280 582 G C -0.650 174.389 174.900 0.231 0.000 1.067 582 G CA -0.369 44.808 45.100 0.129 0.000 0.902 582 G HN 0.272 nan 8.290 nan 0.000 0.500 583 N N 0.651 119.488 118.700 0.229 0.000 2.400 583 N HA 0.532 5.284 4.740 0.020 0.000 0.288 583 N C -2.833 172.778 175.510 0.167 0.000 1.024 583 N CA -1.392 51.766 53.050 0.181 0.000 0.894 583 N CB 2.362 40.913 38.487 0.106 0.000 1.173 583 N HN 0.045 nan 8.380 nan 0.000 0.487 584 P HA 0.326 nan 4.420 nan 0.000 0.284 584 P C -0.628 176.623 177.300 -0.082 0.000 1.253 584 P CA -0.336 62.593 63.100 -0.284 0.000 0.800 584 P CB 0.587 32.053 31.700 -0.389 0.000 0.961 585 W N 0.200 121.277 121.300 -0.372 0.000 3.256 585 W HA 0.459 5.131 4.660 0.020 0.000 0.324 585 W C -1.485 174.928 176.519 -0.177 0.000 1.196 585 W CA -1.029 56.131 57.345 -0.309 0.000 1.206 585 W CB 0.235 29.260 29.460 -0.725 0.000 1.385 585 W HN 0.112 nan 8.180 nan 0.000 0.522 586 S N 2.159 117.895 115.700 0.061 0.000 2.474 586 S HA 0.580 5.062 4.470 0.020 0.000 0.276 586 S C 0.273 174.982 174.600 0.181 0.000 1.227 586 S CA -0.215 58.014 58.200 0.047 0.000 1.050 586 S CB 0.890 64.200 63.200 0.183 0.000 0.939 586 S HN 0.628 nan 8.310 nan 0.000 0.490 587 A N 2.979 125.757 122.820 -0.069 0.000 2.311 587 A HA 0.900 5.232 4.320 0.020 0.000 0.334 587 A C -0.605 177.263 177.584 0.473 0.000 1.139 587 A CA -0.775 51.299 52.037 0.062 0.000 0.830 587 A CB 0.667 19.459 19.000 -0.346 0.000 1.234 587 A HN 0.865 nan 8.150 nan 0.000 0.483 588 Y N -1.093 119.553 120.300 0.576 0.000 3.068 588 Y HA 0.749 5.311 4.550 0.020 0.000 0.302 588 Y C 0.745 177.045 175.900 0.668 0.000 1.610 588 Y CA -1.205 57.245 58.100 0.584 0.000 1.078 588 Y CB -0.091 38.538 38.460 0.280 0.000 1.418 588 Y HN 0.939 nan 8.280 nan 0.000 0.525 589 G N 0.096 109.358 108.800 0.771 0.000 2.138 589 G HA2 0.333 4.305 3.960 0.020 0.000 0.244 589 G HA3 0.333 4.305 3.960 0.020 0.000 0.244 589 G C 1.001 176.254 174.900 0.589 0.000 1.166 589 G CA 0.649 46.115 45.100 0.609 0.000 0.902 589 G HN 1.982 nan 8.290 nan 0.000 0.460 590 G N 2.470 111.576 108.800 0.510 0.000 2.284 590 G HA2 -0.297 3.675 3.960 0.020 0.000 0.247 590 G HA3 -0.297 3.675 3.960 0.020 0.000 0.247 590 G C 0.915 176.043 174.900 0.380 0.000 1.012 590 G CA 0.657 45.995 45.100 0.397 0.000 0.618 590 G HN 0.668 nan 8.290 nan 0.000 0.521 591 D N -0.003 120.649 120.400 0.420 0.000 2.392 591 D HA 0.084 4.736 4.640 0.020 0.000 0.228 591 D C 1.305 177.506 176.300 -0.164 0.000 1.003 591 D CA 0.575 54.673 54.000 0.164 0.000 0.917 591 D CB -0.230 40.652 40.800 0.137 0.000 0.890 591 D HN 0.482 nan 8.370 nan 0.000 0.532 592 F N -0.624 119.449 119.950 0.206 0.000 2.661 592 F HA 0.297 4.836 4.527 0.020 0.000 0.306 592 F C 1.881 177.770 175.800 0.148 0.000 1.094 592 F CA -0.118 57.972 58.000 0.151 0.000 1.254 592 F CB 0.613 39.714 39.000 0.169 0.000 1.040 592 F HN -0.014 nan 8.300 nan 0.000 0.562 593 G N 0.533 109.484 108.800 0.252 0.000 2.159 593 G HA2 -0.264 3.708 3.960 0.020 0.000 0.256 593 G HA3 -0.264 3.708 3.960 0.020 0.000 0.256 593 G C -0.169 174.865 174.900 0.224 0.000 0.977 593 G CA 0.134 45.351 45.100 0.195 0.000 0.652 593 G HN 0.427 nan 8.290 nan 0.000 0.531 594 D N 0.390 120.972 120.400 0.304 0.000 2.383 594 D HA 0.499 5.151 4.640 0.020 0.000 0.252 594 D C 0.075 176.498 176.300 0.205 0.000 1.166 594 D CA 0.909 55.079 54.000 0.283 0.000 0.879 594 D CB 1.726 42.755 40.800 0.381 0.000 1.164 594 D HN 0.366 nan 8.370 nan 0.000 0.462 595 T N 1.220 115.864 114.554 0.151 0.000 2.977 595 T HA 0.389 4.751 4.350 0.020 0.000 0.345 595 T C -2.755 171.983 174.700 0.064 0.000 1.562 595 T CA -1.051 61.108 62.100 0.098 0.000 1.090 595 T CB 1.109 70.036 68.868 0.098 0.000 1.383 595 T HN 0.279 nan 8.240 nan 0.000 0.484 596 P HA 0.427 nan 4.420 nan 0.000 0.274 596 P C -0.834 176.454 177.300 -0.019 0.000 1.260 596 P CA -0.450 62.649 63.100 -0.001 0.000 0.793 596 P CB 0.363 32.038 31.700 -0.041 0.000 1.048 597 N N -1.264 117.410 118.700 -0.042 0.000 2.825 597 N HA 0.129 4.881 4.740 0.020 0.000 0.253 597 N C -1.292 174.125 175.510 -0.155 0.000 1.426 597 N CA -0.592 52.402 53.050 -0.093 0.000 0.851 597 N CB 1.447 39.975 38.487 0.069 0.000 1.470 597 N HN 0.216 nan 8.380 nan 0.000 0.517 598 D N 0.218 120.432 120.400 -0.310 0.000 2.559 598 D HA 0.100 4.752 4.640 0.020 0.000 0.234 598 D C 0.766 177.228 176.300 0.269 0.000 1.226 598 D CA -0.175 53.711 54.000 -0.190 0.000 0.830 598 D CB 0.865 41.378 40.800 -0.478 0.000 1.028 598 D HN 0.641 nan 8.370 nan 0.000 0.492 599 R N 1.075 121.766 120.500 0.319 0.000 3.682 599 R HA -0.341 4.011 4.340 0.020 0.000 0.519 599 R C 1.328 177.753 176.300 0.209 0.000 0.241 599 R CA 1.627 57.960 56.100 0.389 0.000 1.619 599 R CB -1.608 28.850 30.300 0.264 0.000 0.923 599 R HN 0.151 nan 8.270 nan 0.000 0.598 600 Q N 1.300 120.928 119.800 -0.287 0.000 2.488 600 Q HA -0.045 4.307 4.340 0.020 0.000 0.211 600 Q C 1.767 177.589 176.000 -0.296 0.000 0.967 600 Q CA 1.582 57.020 55.803 -0.608 0.000 0.926 600 Q CB -0.050 28.189 28.738 -0.832 0.000 0.992 600 Q HN 0.607 nan 8.270 nan 0.000 0.506 601 F N 1.794 121.706 119.950 -0.064 0.000 2.529 601 F HA -0.146 4.393 4.527 0.020 0.000 0.297 601 F C 2.078 177.837 175.800 -0.068 0.000 1.114 601 F CA 1.132 59.151 58.000 0.031 0.000 1.467 601 F CB -0.224 38.828 39.000 0.086 0.000 1.096 601 F HN 0.397 nan 8.300 nan 0.000 0.586 602 C N -1.787 117.253 119.300 -0.433 0.000 2.626 602 C HA 0.309 4.781 4.460 0.020 0.000 0.266 602 C C 0.936 175.734 174.990 -0.320 0.000 1.317 602 C CA -0.558 58.043 59.018 -0.694 0.000 1.716 602 C CB -1.661 25.218 27.740 -1.435 0.000 1.819 602 C HN 0.177 nan 8.230 nan 0.000 0.578 603 M N 2.743 122.205 119.600 -0.229 0.000 2.131 603 M HA 0.278 4.770 4.480 0.020 0.000 0.345 603 M C -0.446 175.743 176.300 -0.184 0.000 1.060 603 M CA 0.308 55.503 55.300 -0.174 0.000 1.011 603 M CB -0.010 32.518 32.600 -0.121 0.000 1.328 603 M HN 0.385 nan 8.290 nan 0.000 0.396 604 N N 0.417 119.004 118.700 -0.187 0.000 2.184 604 N HA 0.190 4.942 4.740 0.020 0.000 0.234 604 N C 0.424 175.713 175.510 -0.369 0.000 1.282 604 N CA -0.522 52.367 53.050 -0.270 0.000 0.877 604 N CB 1.131 39.538 38.487 -0.133 0.000 1.184 604 N HN 0.604 nan 8.380 nan 0.000 0.510 605 G N 0.033 108.567 108.800 -0.444 0.000 2.537 605 G HA2 0.346 4.318 3.960 0.020 0.000 0.273 605 G HA3 0.346 4.318 3.960 0.020 0.000 0.273 605 G C 0.653 175.018 174.900 -0.892 0.000 1.189 605 G CA -0.542 44.187 45.100 -0.617 0.000 0.881 605 G HN 0.103 nan 8.290 nan 0.000 0.535 606 L N -0.074 120.654 121.223 -0.825 0.000 2.341 606 L HA 0.121 4.473 4.340 0.020 0.000 0.214 606 L C 0.980 177.237 176.870 -1.022 0.000 1.115 606 L CA 0.350 54.709 54.840 -0.801 0.000 0.820 606 L CB -0.215 41.520 42.059 -0.539 0.000 0.944 606 L HN 0.399 nan 8.230 nan 0.000 0.452 607 V N -4.738 114.498 119.914 -1.131 0.000 2.864 607 V HA 0.465 4.597 4.120 0.020 0.000 0.314 607 V C -0.114 175.614 176.094 -0.609 0.000 1.073 607 V CA -1.272 60.548 62.300 -0.800 0.000 0.956 607 V CB 1.570 32.954 31.823 -0.732 0.000 1.023 607 V HN -0.130 nan 8.190 nan 0.000 0.435 608 F N 1.714 121.634 119.950 -0.049 0.000 2.535 608 F HA 0.473 5.012 4.527 0.020 0.000 0.332 608 F C 1.933 177.685 175.800 -0.079 0.000 1.208 608 F CA 0.758 58.782 58.000 0.041 0.000 1.330 608 F CB 0.699 39.716 39.000 0.030 0.000 1.167 608 F HN 0.783 nan 8.300 nan 0.000 0.597 609 A N 0.805 123.730 122.820 0.174 0.000 2.076 609 A HA -0.203 4.129 4.320 0.020 0.000 0.220 609 A C 1.710 179.294 177.584 0.000 0.000 1.160 609 A CA 1.756 53.845 52.037 0.087 0.000 0.653 609 A CB -0.895 18.200 19.000 0.159 0.000 0.801 609 A HN 0.795 nan 8.150 nan 0.000 0.455 610 D N -2.816 117.603 120.400 0.032 0.000 2.340 610 D HA 0.067 4.719 4.640 0.020 0.000 0.220 610 D C 0.650 176.947 176.300 -0.005 0.000 1.039 610 D CA 0.093 54.076 54.000 -0.028 0.000 0.866 610 D CB -0.093 40.686 40.800 -0.035 0.000 0.913 610 D HN 0.156 nan 8.370 nan 0.000 0.523 611 R N -1.630 118.874 120.500 0.007 0.000 3.763 611 R HA -0.107 4.245 4.340 0.020 0.000 0.449 611 R C -0.449 175.864 176.300 0.021 0.000 1.030 611 R CA 0.939 57.033 56.100 -0.010 0.000 1.126 611 R CB -3.220 27.102 30.300 0.037 0.000 1.786 611 R HN 0.214 nan 8.270 nan 0.000 0.522 612 T N 2.856 117.468 114.554 0.096 0.000 2.870 612 T HA 0.349 4.711 4.350 0.020 0.000 0.300 612 T C -2.266 172.537 174.700 0.172 0.000 0.989 612 T CA -0.856 61.326 62.100 0.138 0.000 1.139 612 T CB 1.043 70.004 68.868 0.155 0.000 0.920 612 T HN -0.071 nan 8.240 nan 0.000 0.537 613 P HA 0.151 nan 4.420 nan 0.000 0.271 613 P C -0.085 177.273 177.300 0.097 0.000 1.218 613 P CA -0.214 62.891 63.100 0.007 0.000 0.780 613 P CB 0.476 32.179 31.700 0.006 0.000 0.901 614 H N 2.381 121.307 119.070 -0.240 0.000 2.508 614 H HA 0.130 4.698 4.556 0.020 0.000 0.358 614 H C -1.183 174.069 175.328 -0.127 0.000 1.212 614 H CA -1.956 53.944 56.048 -0.246 0.000 1.356 614 H CB 0.451 30.022 29.762 -0.318 0.000 1.525 614 H HN 0.311 nan 8.280 nan 0.000 0.578 615 P HA -0.152 nan 4.420 nan 0.000 0.218 615 P C 1.147 178.454 177.300 0.012 0.000 1.148 615 P CA 1.371 64.476 63.100 0.008 0.000 0.822 615 P CB -0.068 31.632 31.700 -0.000 0.000 0.784 616 A N -0.391 122.436 122.820 0.012 0.000 2.076 616 A HA -0.176 4.156 4.320 0.020 0.000 0.220 616 A C 2.095 179.627 177.584 -0.087 0.000 1.160 616 A CA 1.219 53.222 52.037 -0.057 0.000 0.653 616 A CB -1.593 17.344 19.000 -0.105 0.000 0.801 616 A HN 0.174 nan 8.150 nan 0.000 0.455 617 L N -0.687 120.504 121.223 -0.054 0.000 2.079 617 L HA -0.125 4.227 4.340 0.020 0.000 0.210 617 L C 2.496 179.399 176.870 0.055 0.000 1.081 617 L CA 2.699 57.535 54.840 -0.008 0.000 0.752 617 L CB -0.923 41.124 42.059 -0.020 0.000 0.896 617 L HN 0.366 nan 8.230 nan 0.000 0.433 618 T N -1.528 113.063 114.554 0.062 0.000 2.821 618 T HA -0.202 4.160 4.350 0.020 0.000 0.267 618 T C 1.810 176.600 174.700 0.151 0.000 1.046 618 T CA 1.443 63.624 62.100 0.135 0.000 1.139 618 T CB -0.116 68.814 68.868 0.104 0.000 0.871 618 T HN 0.501 nan 8.240 nan 0.000 0.454 619 E N 0.627 120.865 120.200 0.063 0.000 2.110 619 E HA 0.019 4.381 4.350 0.020 0.000 0.193 619 E C 2.140 178.734 176.600 -0.011 0.000 0.988 619 E CA 1.323 57.763 56.400 0.068 0.000 0.804 619 E CB -0.514 29.201 29.700 0.024 0.000 0.745 619 E HN 0.534 nan 8.360 nan 0.000 0.458 620 A N 0.974 123.685 122.820 -0.182 0.000 1.898 620 A HA -0.211 4.121 4.320 0.020 0.000 0.216 620 A C 2.148 179.608 177.584 -0.206 0.000 1.181 620 A CA 1.786 53.641 52.037 -0.303 0.000 0.620 620 A CB -0.595 18.204 19.000 -0.336 0.000 0.819 620 A HN 0.249 nan 8.150 nan 0.000 0.442 621 K N -1.191 119.165 120.400 -0.074 0.000 2.044 621 K HA -0.299 4.033 4.320 0.020 0.000 0.210 621 K C 2.089 178.613 176.600 -0.127 0.000 1.049 621 K CA 2.058 58.323 56.287 -0.036 0.000 0.927 621 K CB -0.352 32.276 32.500 0.213 0.000 0.713 621 K HN 0.637 nan 8.250 nan 0.000 0.443 622 H N 0.599 119.529 119.070 -0.233 0.000 2.293 622 H HA -0.055 4.513 4.556 0.020 0.000 0.300 622 H C 2.046 177.123 175.328 -0.419 0.000 1.082 622 H CA 1.870 57.600 56.048 -0.530 0.000 1.308 622 H CB -0.076 29.447 29.762 -0.399 0.000 1.375 622 H HN 0.231 nan 8.280 nan 0.000 0.495 623 Q N 0.447 119.990 119.800 -0.429 0.000 2.135 623 Q HA -0.142 4.210 4.340 0.020 0.000 0.204 623 Q C 1.711 177.201 176.000 -0.850 0.000 0.981 623 Q CA 1.454 56.926 55.803 -0.552 0.000 0.856 623 Q CB -0.200 28.361 28.738 -0.295 0.000 0.902 623 Q HN 0.717 nan 8.270 nan 0.000 0.425 624 Q N 0.426 119.653 119.800 -0.955 0.000 2.329 624 Q HA 0.050 4.402 4.340 0.020 0.000 0.208 624 Q C -0.083 175.391 176.000 -0.877 0.000 0.934 624 Q CA -0.191 54.928 55.803 -1.140 0.000 0.951 624 Q CB 0.123 28.252 28.738 -1.014 0.000 1.017 624 Q HN 0.379 nan 8.270 nan 0.000 0.490 625 Q N -0.481 118.935 119.800 -0.640 0.000 2.395 625 Q HA -0.013 4.339 4.340 0.020 0.000 0.271 625 Q C -0.119 175.501 176.000 -0.632 0.000 1.026 625 Q CA 0.308 55.860 55.803 -0.417 0.000 0.900 625 Q CB 0.494 29.084 28.738 -0.246 0.000 1.266 625 Q HN 0.308 nan 8.270 nan 0.000 0.430 626 F N 0.595 120.329 119.950 -0.361 0.000 2.727 626 F HA 0.225 4.764 4.527 0.019 0.000 0.302 626 F C -0.165 175.071 175.800 -0.941 0.000 1.097 626 F CA 0.005 57.556 58.000 -0.749 0.000 1.330 626 F CB 0.552 38.852 39.000 -1.168 0.000 1.084 626 F HN 0.317 nan 8.300 nan 0.000 0.578 627 F N 0.464 120.368 119.950 -0.077 0.000 2.529 627 F HA 0.437 4.977 4.527 0.021 0.000 0.320 627 F C -0.012 175.492 175.800 -0.493 0.000 1.118 627 F CA -1.087 56.770 58.000 -0.238 0.000 0.915 627 F CB 1.299 40.173 39.000 -0.210 0.000 1.161 627 F HN -0.310 nan 8.300 nan 0.000 0.445 628 Q N 2.859 122.452 119.800 -0.345 0.000 2.215 628 Q HA 0.595 4.947 4.340 0.020 0.000 0.256 628 Q C -1.321 174.309 176.000 -0.617 0.000 0.972 628 Q CA -0.658 54.929 55.803 -0.361 0.000 0.889 628 Q CB 2.766 31.416 28.738 -0.148 0.000 1.281 628 Q HN 0.547 nan 8.270 nan 0.000 0.456 629 F N -0.205 119.872 119.950 0.211 0.000 2.588 629 F HA 0.594 5.133 4.527 0.021 0.000 0.314 629 F C 0.096 176.123 175.800 0.379 0.000 1.069 629 F CA -0.892 57.302 58.000 0.324 0.000 0.931 629 F CB 2.271 41.584 39.000 0.522 0.000 1.260 629 F HN 0.267 nan 8.300 nan 0.000 0.465 630 R N 1.555 122.372 120.500 0.528 0.000 2.673 630 R HA 0.762 5.114 4.340 0.020 0.000 0.281 630 R C -2.191 174.200 176.300 0.152 0.000 0.991 630 R CA -0.883 55.447 56.100 0.382 0.000 0.896 630 R CB 2.094 32.513 30.300 0.198 0.000 1.201 630 R HN 0.643 nan 8.270 nan 0.000 0.457 631 L N 1.971 123.188 121.223 -0.010 0.000 2.341 631 L HA 0.702 5.054 4.340 0.020 0.000 0.278 631 L C -1.388 175.327 176.870 -0.257 0.000 1.005 631 L CA 0.158 54.719 54.840 -0.465 0.000 0.818 631 L CB 2.092 43.356 42.059 -1.326 0.000 1.259 631 L HN 0.567 nan 8.230 nan 0.000 0.418 632 S N 3.868 119.430 115.700 -0.230 0.000 2.653 632 S HA 0.685 5.167 4.470 0.020 0.000 0.268 632 S C 0.028 174.539 174.600 -0.148 0.000 1.153 632 S CA 0.296 58.407 58.200 -0.147 0.000 1.036 632 S CB 0.223 63.377 63.200 -0.077 0.000 1.103 632 S HN 1.830 nan 8.310 nan 0.000 0.466 633 G N 4.453 113.166 108.800 -0.146 0.000 2.561 633 G HA2 -0.307 3.665 3.960 0.020 0.000 0.289 633 G HA3 -0.307 3.665 3.960 0.020 0.000 0.289 633 G C 0.292 175.088 174.900 -0.174 0.000 1.169 633 G CA 0.725 45.745 45.100 -0.133 0.000 0.980 633 G HN 0.848 nan 8.290 nan 0.000 0.550 634 Q N 1.218 120.923 119.800 -0.159 0.000 2.204 634 Q HA 0.407 4.759 4.340 0.020 0.000 0.209 634 Q C 0.137 176.014 176.000 -0.205 0.000 0.861 634 Q CA 0.771 56.454 55.803 -0.199 0.000 0.971 634 Q CB 0.284 28.920 28.738 -0.170 0.000 1.095 634 Q HN 0.636 nan 8.270 nan 0.000 0.486 635 T N 0.003 114.448 114.554 -0.181 0.000 2.758 635 T HA 0.523 4.885 4.350 0.020 0.000 0.285 635 T C -0.094 174.500 174.700 -0.175 0.000 0.981 635 T CA -0.445 61.567 62.100 -0.148 0.000 0.965 635 T CB 1.040 69.851 68.868 -0.095 0.000 0.927 635 T HN 0.086 nan 8.240 nan 0.000 0.448 636 I N 2.634 123.119 120.570 -0.143 0.000 2.377 636 I HA 0.368 4.550 4.170 0.020 0.000 0.293 636 I C 0.395 176.537 176.117 0.042 0.000 0.987 636 I CA -0.605 60.643 61.300 -0.087 0.000 1.185 636 I CB 1.532 39.504 38.000 -0.046 0.000 1.341 636 I HN 0.615 nan 8.210 nan 0.000 0.455 637 E N 6.504 126.769 120.200 0.110 0.000 2.185 637 E HA 0.457 4.819 4.350 0.020 0.000 0.261 637 E C -1.702 175.001 176.600 0.171 0.000 0.879 637 E CA -0.583 55.887 56.400 0.117 0.000 0.756 637 E CB 1.854 31.599 29.700 0.076 0.000 1.152 637 E HN 0.351 nan 8.360 nan 0.000 0.416 638 V N 3.934 123.931 119.914 0.137 0.000 2.427 638 V HA 0.380 4.512 4.120 0.020 0.000 0.286 638 V C -0.067 176.055 176.094 0.048 0.000 1.034 638 V CA -0.401 61.933 62.300 0.057 0.000 0.893 638 V CB 1.761 33.651 31.823 0.112 0.000 0.982 638 V HN 0.709 nan 8.190 nan 0.000 0.452 639 T N 3.159 117.711 114.554 -0.004 0.000 2.824 639 T HA 0.329 4.691 4.350 0.020 0.000 0.282 639 T C -0.204 174.530 174.700 0.058 0.000 0.993 639 T CA -0.318 61.798 62.100 0.027 0.000 0.967 639 T CB 1.609 70.463 68.868 -0.023 0.000 0.960 639 T HN 0.656 nan 8.240 nan 0.000 0.441 640 S N 1.755 117.504 115.700 0.082 0.000 2.475 640 S HA 0.201 4.683 4.470 0.020 0.000 0.281 640 S C 0.850 175.349 174.600 -0.169 0.000 1.198 640 S CA -0.575 57.609 58.200 -0.026 0.000 1.063 640 S CB 0.496 63.752 63.200 0.093 0.000 0.972 640 S HN 0.700 nan 8.310 nan 0.000 0.486 641 E N 3.238 123.229 120.200 -0.349 0.000 2.479 641 E HA 0.064 4.426 4.350 0.020 0.000 0.193 641 E C -0.630 175.791 176.600 -0.298 0.000 1.049 641 E CA -0.056 56.165 56.400 -0.299 0.000 0.870 641 E CB 0.162 29.661 29.700 -0.334 0.000 0.944 641 E HN 0.685 nan 8.360 nan 0.000 0.492 642 Y N 0.376 120.570 120.300 -0.177 0.000 2.457 642 Y HA -0.041 4.521 4.550 0.020 0.000 0.341 642 Y C 1.412 177.161 175.900 -0.253 0.000 1.240 642 Y CA 0.364 58.369 58.100 -0.159 0.000 1.437 642 Y CB 0.636 38.998 38.460 -0.162 0.000 1.328 642 Y HN -0.043 nan 8.280 nan 0.000 0.588 643 L N 0.560 121.633 121.223 -0.249 0.000 2.609 643 L HA 0.132 4.484 4.340 0.020 0.000 0.230 643 L C 0.572 176.999 176.870 -0.738 0.000 1.087 643 L CA 0.396 54.849 54.840 -0.646 0.000 0.874 643 L CB 0.121 41.428 42.059 -1.254 0.000 1.114 643 L HN 0.646 nan 8.230 nan 0.000 0.488 644 F N -0.451 119.527 119.950 0.046 0.000 2.577 644 F HA 0.206 4.744 4.527 0.018 0.000 0.282 644 F C 1.302 177.105 175.800 0.004 0.000 0.957 644 F CA -0.797 57.205 58.000 0.003 0.000 1.168 644 F CB 0.321 39.307 39.000 -0.024 0.000 0.958 644 F HN -0.170 nan 8.300 nan 0.000 0.702 645 R N 0.889 121.470 120.500 0.135 0.000 2.528 645 R HA 0.356 4.708 4.340 0.020 0.000 0.271 645 R C -0.655 175.654 176.300 0.015 0.000 1.056 645 R CA -0.480 55.638 56.100 0.030 0.000 1.117 645 R CB 0.517 30.731 30.300 -0.143 0.000 1.085 645 R HN 0.161 nan 8.270 nan 0.000 0.530 646 H N 0.305 119.370 119.070 -0.009 0.000 2.488 646 H HA 0.059 4.627 4.556 0.020 0.000 0.347 646 H C 0.181 175.533 175.328 0.039 0.000 1.174 646 H CA -0.145 55.930 56.048 0.044 0.000 1.307 646 H CB 1.763 31.556 29.762 0.052 0.000 1.517 646 H HN 0.784 nan 8.280 nan 0.000 0.554 647 S N 1.111 116.960 115.700 0.248 0.000 4.117 647 S HA -0.084 4.398 4.470 0.020 0.000 0.191 647 S C 0.551 175.246 174.600 0.158 0.000 1.308 647 S CA -0.486 57.861 58.200 0.245 0.000 0.906 647 S CB -0.804 62.587 63.200 0.318 0.000 1.565 647 S HN 0.614 nan 8.310 nan 0.000 0.439 648 D N 0.956 121.425 120.400 0.115 0.000 2.319 648 D HA 0.011 4.663 4.640 0.020 0.000 0.230 648 D C 0.329 176.663 176.300 0.057 0.000 1.094 648 D CA -0.169 53.876 54.000 0.075 0.000 0.856 648 D CB -0.349 40.481 40.800 0.050 0.000 0.915 648 D HN 0.509 nan 8.370 nan 0.000 0.517 649 N N -0.011 118.734 118.700 0.075 0.000 2.620 649 N HA 0.149 4.901 4.740 0.020 0.000 0.277 649 N C -1.599 173.971 175.510 0.100 0.000 1.726 649 N CA -0.203 52.888 53.050 0.068 0.000 0.840 649 N CB 0.309 38.828 38.487 0.054 0.000 1.379 649 N HN -0.051 nan 8.380 nan 0.000 0.506 650 E N 0.033 120.286 120.200 0.087 0.000 2.352 650 E HA 0.506 4.868 4.350 0.020 0.000 0.280 650 E C -1.428 175.202 176.600 0.051 0.000 0.930 650 E CA -0.677 55.770 56.400 0.080 0.000 0.765 650 E CB 2.402 32.133 29.700 0.052 0.000 1.219 650 E HN 0.284 nan 8.360 nan 0.000 0.434 651 L N 1.739 122.995 121.223 0.055 0.000 2.393 651 L HA 0.696 5.048 4.340 0.020 0.000 0.260 651 L C -1.708 175.214 176.870 0.087 0.000 1.002 651 L CA -1.148 53.728 54.840 0.060 0.000 0.818 651 L CB 1.602 43.692 42.059 0.051 0.000 1.369 651 L HN 0.644 nan 8.230 nan 0.000 0.412 652 L N 3.124 124.419 121.223 0.120 0.000 2.289 652 L HA 0.481 4.833 4.340 0.020 0.000 0.285 652 L C -0.726 176.286 176.870 0.237 0.000 1.049 652 L CA -0.074 54.875 54.840 0.180 0.000 0.804 652 L CB 0.972 43.159 42.059 0.213 0.000 1.195 652 L HN 0.739 nan 8.230 nan 0.000 0.428 653 H N 5.896 125.026 119.070 0.100 0.000 2.469 653 H HA 0.383 4.951 4.556 0.020 0.000 0.342 653 H C -1.725 173.674 175.328 0.118 0.000 1.115 653 H CA -0.900 55.159 56.048 0.019 0.000 1.204 653 H CB 1.120 30.861 29.762 -0.035 0.000 1.492 653 H HN 0.769 nan 8.280 nan 0.000 0.499 654 W N 6.514 127.705 121.300 -0.182 0.000 2.936 654 W HA 0.512 5.183 4.660 0.020 0.000 0.338 654 W C -1.952 174.397 176.519 -0.284 0.000 1.121 654 W CA -1.363 55.862 57.345 -0.200 0.000 1.209 654 W CB 1.786 31.220 29.460 -0.043 0.000 1.420 654 W HN 0.510 nan 8.180 nan 0.000 0.516 655 M N 2.933 122.621 119.600 0.146 0.000 2.371 655 M HA 0.626 5.118 4.480 0.020 0.000 0.287 655 M C -2.478 174.003 176.300 0.302 0.000 1.149 655 M CA -0.718 54.636 55.300 0.090 0.000 0.929 655 M CB 1.944 34.442 32.600 -0.170 0.000 1.683 655 M HN 0.179 nan 8.290 nan 0.000 0.470 656 V N 2.913 123.025 119.914 0.329 0.000 2.417 656 V HA 0.941 5.073 4.120 0.020 0.000 0.291 656 V C -0.105 176.095 176.094 0.177 0.000 1.024 656 V CA -0.331 62.128 62.300 0.264 0.000 0.861 656 V CB 1.303 33.276 31.823 0.250 0.000 0.985 656 V HN 1.047 nan 8.190 nan 0.000 0.436 657 A N 4.455 127.384 122.820 0.181 0.000 2.469 657 A HA 0.929 5.261 4.320 0.020 0.000 0.299 657 A C -1.457 176.235 177.584 0.180 0.000 1.098 657 A CA -0.670 51.447 52.037 0.132 0.000 0.737 657 A CB 1.774 20.813 19.000 0.065 0.000 1.312 657 A HN 0.821 nan 8.150 nan 0.000 0.414 658 L N 1.109 122.411 121.223 0.130 0.000 2.298 658 L HA 0.536 4.888 4.340 0.020 0.000 0.284 658 L C -0.766 176.195 176.870 0.151 0.000 1.013 658 L CA 0.146 55.075 54.840 0.148 0.000 0.824 658 L CB 0.631 42.747 42.059 0.095 0.000 1.221 658 L HN 0.758 nan 8.230 nan 0.000 0.418 659 D N 4.750 125.298 120.400 0.247 0.000 2.720 659 D HA -0.204 4.448 4.640 0.020 0.000 0.229 659 D C 1.246 177.597 176.300 0.084 0.000 1.198 659 D CA 1.558 55.698 54.000 0.234 0.000 0.639 659 D CB -1.109 39.797 40.800 0.177 0.000 1.003 659 D HN 1.152 nan 8.370 nan 0.000 0.411 660 G N -0.674 108.150 108.800 0.040 0.000 2.245 660 G HA2 -0.386 3.586 3.960 0.020 0.000 0.264 660 G HA3 -0.386 3.586 3.960 0.020 0.000 0.264 660 G C 0.206 175.049 174.900 -0.094 0.000 0.985 660 G CA 0.664 45.686 45.100 -0.130 0.000 0.625 660 G HN 0.576 nan 8.290 nan 0.000 0.536 661 K N 1.392 121.778 120.400 -0.022 0.000 2.276 661 K HA 0.469 4.801 4.320 0.020 0.000 0.285 661 K C -2.903 173.696 176.600 -0.002 0.000 1.062 661 K CA -2.043 54.229 56.287 -0.024 0.000 0.918 661 K CB 1.794 34.290 32.500 -0.008 0.000 1.055 661 K HN 0.046 nan 8.250 nan 0.000 0.477 662 P HA -0.025 nan 4.420 nan 0.000 0.263 662 P C 0.235 177.548 177.300 0.021 0.000 1.195 662 P CA -0.067 63.030 63.100 -0.005 0.000 0.762 662 P CB 0.667 32.348 31.700 -0.032 0.000 0.799 663 L N 2.089 123.343 121.223 0.052 0.000 2.519 663 L HA 0.457 4.809 4.340 0.020 0.000 0.194 663 L C 0.768 177.689 176.870 0.085 0.000 1.072 663 L CA 0.802 55.683 54.840 0.068 0.000 0.845 663 L CB 0.109 42.223 42.059 0.092 0.000 1.138 663 L HN 0.388 nan 8.230 nan 0.000 0.487 664 A N -0.901 121.998 122.820 0.132 0.000 2.602 664 A HA 0.658 4.990 4.320 0.020 0.000 0.290 664 A C -0.948 176.676 177.584 0.068 0.000 1.114 664 A CA 0.282 52.424 52.037 0.175 0.000 0.683 664 A CB 1.833 21.047 19.000 0.356 0.000 1.281 664 A HN 0.244 nan 8.150 nan 0.000 0.416 665 S N -1.086 114.381 115.700 -0.389 0.000 2.645 665 S HA 0.851 5.333 4.470 0.020 0.000 0.268 665 S C -0.385 173.218 174.600 -1.661 0.000 1.110 665 S CA 0.298 57.656 58.200 -1.404 0.000 0.823 665 S CB 0.683 63.564 63.200 -0.532 0.000 1.091 665 S HN 2.728 nan 8.310 nan 0.000 0.466 666 G N 0.234 107.781 108.800 -2.089 0.000 2.489 666 G HA2 0.648 4.620 3.960 0.020 0.000 0.305 666 G HA3 0.648 4.620 3.960 0.020 0.000 0.305 666 G C -2.347 172.228 174.900 -0.541 0.000 1.311 666 G CA -0.559 43.992 45.100 -0.915 0.000 0.813 666 G HN 1.090 nan 8.290 nan 0.000 0.480 667 E N -1.399 118.755 120.200 -0.076 0.000 2.356 667 E HA 0.685 5.047 4.350 0.020 0.000 0.275 667 E C -1.393 175.298 176.600 0.151 0.000 0.904 667 E CA -1.028 55.417 56.400 0.075 0.000 0.757 667 E CB 3.032 32.741 29.700 0.015 0.000 1.232 667 E HN 0.456 nan 8.360 nan 0.000 0.442 668 V N 1.560 121.579 119.914 0.176 0.000 2.888 668 V HA 0.494 4.626 4.120 0.020 0.000 0.309 668 V C -2.469 173.694 176.094 0.114 0.000 1.114 668 V CA -2.083 60.308 62.300 0.151 0.000 0.940 668 V CB 2.032 33.966 31.823 0.186 0.000 1.021 668 V HN 0.648 nan 8.190 nan 0.000 0.426 669 P HA 0.375 nan 4.420 nan 0.000 0.274 669 P C -0.916 176.429 177.300 0.075 0.000 1.231 669 P CA -0.229 62.914 63.100 0.071 0.000 0.790 669 P CB 0.787 32.522 31.700 0.058 0.000 0.951 670 L N 2.397 123.657 121.223 0.062 0.000 2.309 670 L HA 0.420 4.772 4.340 0.020 0.000 0.282 670 L C 0.059 176.976 176.870 0.079 0.000 1.036 670 L CA -0.130 54.742 54.840 0.053 0.000 0.806 670 L CB 1.279 43.328 42.059 -0.017 0.000 1.220 670 L HN 0.346 nan 8.230 nan 0.000 0.429 671 D N 2.962 123.422 120.400 0.100 0.000 2.429 671 D HA 0.326 4.978 4.640 0.020 0.000 0.255 671 D C -1.309 175.097 176.300 0.177 0.000 1.257 671 D CA -0.172 53.913 54.000 0.141 0.000 0.890 671 D CB 1.139 42.013 40.800 0.124 0.000 1.267 671 D HN 0.032 nan 8.370 nan 0.000 0.521 672 V N 1.534 121.567 119.914 0.198 0.000 2.459 672 V HA 0.865 4.997 4.120 0.020 0.000 0.295 672 V C 0.913 177.005 176.094 -0.003 0.000 1.029 672 V CA -1.149 61.247 62.300 0.160 0.000 0.874 672 V CB 1.290 33.254 31.823 0.235 0.000 0.985 672 V HN 0.605 nan 8.190 nan 0.000 0.438 673 A N 6.513 129.203 122.820 -0.216 0.000 2.351 673 A HA 0.669 5.001 4.320 0.020 0.000 0.257 673 A C -2.269 175.105 177.584 -0.350 0.000 1.087 673 A CA -1.490 50.062 52.037 -0.808 0.000 0.798 673 A CB -0.128 18.628 19.000 -0.405 0.000 1.033 673 A HN 0.689 nan 8.150 nan 0.000 0.488 674 P HA 0.054 nan 4.420 nan 0.000 0.263 674 P C -0.411 176.825 177.300 -0.108 0.000 1.195 674 P CA 0.670 63.697 63.100 -0.121 0.000 0.762 674 P CB 0.872 32.511 31.700 -0.102 0.000 0.799 675 Q N -0.707 119.046 119.800 -0.079 0.000 2.360 675 Q HA -0.131 4.221 4.340 0.020 0.000 0.192 675 Q C 0.802 176.776 176.000 -0.043 0.000 0.615 675 Q CA 1.868 57.627 55.803 -0.073 0.000 1.355 675 Q CB -2.467 26.222 28.738 -0.082 0.000 1.324 675 Q HN 0.740 nan 8.270 nan 0.000 0.885 676 G N 0.112 108.893 108.800 -0.032 0.000 2.543 676 G HA2 0.564 4.536 3.960 0.020 0.000 0.290 676 G HA3 0.564 4.536 3.960 0.020 0.000 0.290 676 G C -0.209 174.708 174.900 0.029 0.000 1.310 676 G CA -0.367 44.731 45.100 -0.004 0.000 1.025 676 G HN -0.041 nan 8.290 nan 0.000 0.502 677 K N -0.774 119.649 120.400 0.039 0.000 2.477 677 K HA 0.419 4.751 4.320 0.020 0.000 0.255 677 K C -1.141 175.496 176.600 0.063 0.000 0.952 677 K CA -0.611 55.707 56.287 0.052 0.000 0.826 677 K CB 2.662 35.184 32.500 0.037 0.000 1.331 677 K HN 0.631 nan 8.250 nan 0.000 0.437 678 Q N 2.687 122.531 119.800 0.073 0.000 2.331 678 Q HA 0.429 4.781 4.340 0.020 0.000 0.272 678 Q C -1.797 174.244 176.000 0.067 0.000 1.062 678 Q CA -0.721 55.125 55.803 0.072 0.000 0.806 678 Q CB 1.485 30.275 28.738 0.087 0.000 1.312 678 Q HN 0.503 nan 8.270 nan 0.000 0.431 679 L N 4.293 125.546 121.223 0.050 0.000 2.287 679 L HA 0.507 4.859 4.340 0.020 0.000 0.287 679 L C -0.797 176.090 176.870 0.028 0.000 1.022 679 L CA -0.724 54.137 54.840 0.035 0.000 0.814 679 L CB 1.316 43.384 42.059 0.016 0.000 1.217 679 L HN 0.602 nan 8.230 nan 0.000 0.420 680 I N 2.787 123.371 120.570 0.023 0.000 2.307 680 I HA 0.225 4.407 4.170 0.020 0.000 0.289 680 I C 0.191 176.277 176.117 -0.051 0.000 1.021 680 I CA -0.191 61.114 61.300 0.009 0.000 1.224 680 I CB 1.348 39.373 38.000 0.041 0.000 1.376 680 I HN 0.484 nan 8.210 nan 0.000 0.470 681 E N 6.013 126.183 120.200 -0.049 0.000 2.283 681 E HA 0.446 4.808 4.350 0.020 0.000 0.278 681 E C -1.027 175.490 176.600 -0.137 0.000 1.027 681 E CA -0.263 56.085 56.400 -0.088 0.000 0.843 681 E CB 0.805 30.470 29.700 -0.059 0.000 1.062 681 E HN 0.385 nan 8.360 nan 0.000 0.401 682 L N 5.880 126.977 121.223 -0.211 0.000 2.343 682 L HA 0.462 4.814 4.340 0.020 0.000 0.275 682 L C -1.879 174.862 176.870 -0.216 0.000 1.056 682 L CA -2.111 52.541 54.840 -0.313 0.000 0.804 682 L CB 1.178 42.897 42.059 -0.567 0.000 1.203 682 L HN 0.489 nan 8.230 nan 0.000 0.440 683 P HA -0.058 nan 4.420 nan 0.000 0.267 683 P C -0.372 176.871 177.300 -0.096 0.000 1.201 683 P CA -0.140 62.908 63.100 -0.085 0.000 0.775 683 P CB 0.445 32.150 31.700 0.008 0.000 0.854 684 E N 1.893 122.063 120.200 -0.049 0.000 2.558 684 E HA -0.007 4.355 4.350 0.020 0.000 0.255 684 E C -0.907 175.673 176.600 -0.033 0.000 0.968 684 E CA 0.002 56.376 56.400 -0.043 0.000 0.939 684 E CB 0.026 29.714 29.700 -0.020 0.000 0.921 684 E HN 0.376 nan 8.360 nan 0.000 0.477 685 L N 7.511 128.707 121.223 -0.046 0.000 2.280 685 L HA 0.372 4.724 4.340 0.020 0.000 0.287 685 L C -2.000 174.868 176.870 -0.004 0.000 1.023 685 L CA -2.337 52.489 54.840 -0.024 0.000 0.819 685 L CB 1.508 43.534 42.059 -0.056 0.000 1.212 685 L HN 0.586 nan 8.230 nan 0.000 0.420 686 P HA 0.046 nan 4.420 nan 0.000 0.266 686 P C -0.723 176.586 177.300 0.015 0.000 1.195 686 P CA -0.324 62.787 63.100 0.018 0.000 0.768 686 P CB 0.593 32.312 31.700 0.031 0.000 0.838 687 Q N 2.453 122.259 119.800 0.009 0.000 2.414 687 Q HA 0.574 4.926 4.340 0.020 0.000 0.206 687 Q C -1.996 174.013 176.000 0.015 0.000 1.058 687 Q CA -1.026 54.781 55.803 0.007 0.000 1.025 687 Q CB -0.494 28.244 28.738 0.000 0.000 1.196 687 Q HN 0.408 nan 8.270 nan 0.000 0.586 688 P HA 0.291 nan 4.420 nan 0.000 0.328 688 P C -1.120 176.192 177.300 0.019 0.000 1.512 688 P CA -0.583 62.530 63.100 0.021 0.000 1.268 688 P CB 1.499 33.217 31.700 0.029 0.000 1.766 689 E N 0.664 120.876 120.200 0.021 0.000 2.489 689 E HA -0.016 4.346 4.350 0.020 0.000 0.207 689 E C 0.039 176.652 176.600 0.021 0.000 1.151 689 E CA 0.828 57.240 56.400 0.019 0.000 0.931 689 E CB -0.451 29.261 29.700 0.019 0.000 0.884 689 E HN 0.567 nan 8.360 nan 0.000 0.609 690 S N -2.164 113.550 115.700 0.023 0.000 2.719 690 S HA 0.384 4.866 4.470 0.020 0.000 0.272 690 S C -0.385 174.232 174.600 0.029 0.000 0.964 690 S CA -0.682 57.533 58.200 0.025 0.000 0.944 690 S CB 0.458 63.675 63.200 0.029 0.000 1.199 690 S HN 0.211 nan 8.310 nan 0.000 0.461 691 A N 0.333 123.171 122.820 0.030 0.000 2.567 691 A HA 0.614 4.946 4.320 0.020 0.000 0.236 691 A C 1.266 178.876 177.584 0.044 0.000 1.088 691 A CA 1.025 53.082 52.037 0.033 0.000 0.776 691 A CB -1.163 17.859 19.000 0.036 0.000 1.033 691 A HN 2.828 nan 8.150 nan 0.000 0.513 692 G N -1.086 107.741 108.800 0.045 0.000 2.392 692 G HA2 0.429 4.401 3.960 0.020 0.000 0.677 692 G HA3 0.429 4.401 3.960 0.020 0.000 0.677 692 G C -0.906 174.021 174.900 0.045 0.000 1.334 692 G CA 0.029 45.168 45.100 0.065 0.000 0.961 692 G HN 1.414 nan 8.290 nan 0.000 0.616 693 Q N -0.369 119.474 119.800 0.072 0.000 2.307 693 Q HA 0.751 5.103 4.340 0.020 0.000 0.262 693 Q C -0.214 175.818 176.000 0.054 0.000 0.961 693 Q CA -0.593 55.207 55.803 -0.006 0.000 0.882 693 Q CB 1.249 29.965 28.738 -0.038 0.000 1.264 693 Q HN 0.630 nan 8.270 nan 0.000 0.446 694 L N 3.726 124.918 121.223 -0.051 0.000 2.379 694 L HA 0.580 4.932 4.340 0.020 0.000 0.269 694 L C -0.825 176.007 176.870 -0.063 0.000 1.084 694 L CA -0.474 54.395 54.840 0.048 0.000 0.802 694 L CB 0.928 42.996 42.059 0.016 0.000 1.175 694 L HN 0.696 nan 8.230 nan 0.000 0.448 695 W N 3.044 124.386 121.300 0.070 0.000 2.998 695 W HA 0.473 5.145 4.660 0.020 0.000 0.335 695 W C -1.099 175.499 176.519 0.131 0.000 1.110 695 W CA -0.487 56.919 57.345 0.101 0.000 1.230 695 W CB 1.685 31.217 29.460 0.120 0.000 1.405 695 W HN 0.073 nan 8.180 nan 0.000 0.493 696 L N 3.361 124.846 121.223 0.437 0.000 2.282 696 L HA 0.769 5.121 4.340 0.020 0.000 0.288 696 L C -0.304 176.846 176.870 0.466 0.000 1.033 696 L CA 0.241 55.310 54.840 0.381 0.000 0.807 696 L CB 1.134 43.355 42.059 0.270 0.000 1.209 696 L HN 0.341 nan 8.230 nan 0.000 0.423 697 T N 5.307 120.063 114.554 0.338 0.000 2.812 697 T HA 0.638 5.000 4.350 0.020 0.000 0.282 697 T C -0.551 174.272 174.700 0.205 0.000 0.990 697 T CA -0.438 61.813 62.100 0.252 0.000 0.960 697 T CB 1.444 70.391 68.868 0.131 0.000 0.948 697 T HN 0.618 nan 8.240 nan 0.000 0.438 698 V N 1.613 121.637 119.914 0.183 0.000 2.919 698 V HA 0.957 5.089 4.120 0.020 0.000 0.316 698 V C -0.655 175.480 176.094 0.068 0.000 1.077 698 V CA -1.265 61.093 62.300 0.097 0.000 0.977 698 V CB 1.968 33.819 31.823 0.046 0.000 1.039 698 V HN 1.042 nan 8.190 nan 0.000 0.441 699 R N 1.732 122.298 120.500 0.110 0.000 2.604 699 R HA 0.761 5.113 4.340 0.020 0.000 0.270 699 R C -2.341 174.093 176.300 0.223 0.000 1.052 699 R CA -0.734 55.492 56.100 0.209 0.000 0.902 699 R CB 2.083 32.503 30.300 0.200 0.000 1.233 699 R HN 0.581 nan 8.270 nan 0.000 0.455 700 V N 3.145 123.228 119.914 0.281 0.000 2.350 700 V HA 0.348 4.480 4.120 0.020 0.000 0.276 700 V C -0.153 176.064 176.094 0.205 0.000 1.028 700 V CA -0.600 61.841 62.300 0.235 0.000 0.860 700 V CB 1.442 33.419 31.823 0.257 0.000 0.990 700 V HN 0.532 nan 8.190 nan 0.000 0.453 701 V N 5.269 125.272 119.914 0.149 0.000 2.513 701 V HA 0.421 4.553 4.120 0.020 0.000 0.299 701 V C -0.184 175.977 176.094 0.113 0.000 1.035 701 V CA -0.771 61.597 62.300 0.114 0.000 0.889 701 V CB 1.823 33.688 31.823 0.070 0.000 0.988 701 V HN 0.893 nan 8.190 nan 0.000 0.440 702 Q N 5.433 125.309 119.800 0.127 0.000 2.398 702 Q HA 0.283 4.635 4.340 0.020 0.000 0.251 702 Q C -1.806 174.229 176.000 0.057 0.000 0.999 702 Q CA -1.810 54.061 55.803 0.114 0.000 0.874 702 Q CB 1.861 30.689 28.738 0.150 0.000 1.215 702 Q HN 0.475 nan 8.270 nan 0.000 0.470 703 P HA -0.178 nan 4.420 nan 0.000 0.218 703 P C -0.523 176.774 177.300 -0.004 0.000 1.149 703 P CA 1.215 64.322 63.100 0.012 0.000 0.817 703 P CB 0.372 32.077 31.700 0.009 0.000 0.785 704 N N -0.941 117.752 118.700 -0.012 0.000 2.443 704 N HA 0.484 5.236 4.740 0.020 0.000 0.293 704 N C -0.456 175.007 175.510 -0.078 0.000 1.159 704 N CA -0.833 52.196 53.050 -0.036 0.000 0.904 704 N CB 1.049 39.518 38.487 -0.031 0.000 1.214 704 N HN -0.093 nan 8.380 nan 0.000 0.513 705 A N 0.191 122.956 122.820 -0.091 0.000 2.332 705 A HA 0.555 4.887 4.320 0.020 0.000 0.258 705 A C 0.471 177.938 177.584 -0.194 0.000 1.087 705 A CA -0.072 51.876 52.037 -0.149 0.000 0.802 705 A CB 0.068 19.004 19.000 -0.106 0.000 1.042 705 A HN 0.726 nan 8.150 nan 0.000 0.489 706 T N -3.023 111.337 114.554 -0.323 0.000 2.604 706 T HA 0.629 4.991 4.350 0.020 0.000 0.267 706 T C 1.024 175.581 174.700 -0.239 0.000 0.923 706 T CA 0.141 62.054 62.100 -0.312 0.000 1.077 706 T CB 0.855 69.376 68.868 -0.577 0.000 1.392 706 T HN 1.278 nan 8.240 nan 0.000 0.531 707 A N -0.221 122.543 122.820 -0.093 0.000 2.066 707 A HA 0.152 4.484 4.320 0.020 0.000 0.218 707 A C 1.608 179.335 177.584 0.238 0.000 1.157 707 A CA 0.927 53.022 52.037 0.098 0.000 0.670 707 A CB -0.803 18.282 19.000 0.142 0.000 0.804 707 A HN 0.892 nan 8.150 nan 0.000 0.453 708 W N -0.506 120.867 121.300 0.122 0.000 2.702 708 W HA 0.435 5.107 4.660 0.021 0.000 0.369 708 W C -0.223 176.276 176.519 -0.034 0.000 0.987 708 W CA 0.432 57.822 57.345 0.074 0.000 1.702 708 W CB -1.159 28.334 29.460 0.056 0.000 1.138 708 W HN 0.386 nan 8.180 nan 0.000 0.552 709 S N 0.579 115.823 115.700 -0.760 0.000 2.579 709 S HA 0.524 5.006 4.470 0.020 0.000 0.272 709 S C -0.990 173.380 174.600 -0.383 0.000 1.141 709 S CA -0.819 56.962 58.200 -0.699 0.000 0.843 709 S CB 2.377 64.782 63.200 -1.325 0.000 1.122 709 S HN 0.160 nan 8.310 nan 0.000 0.468 710 E N 1.084 121.164 120.200 -0.201 0.000 2.248 710 E HA 0.662 5.024 4.350 0.020 0.000 0.272 710 E C -0.026 176.542 176.600 -0.053 0.000 1.008 710 E CA -1.228 55.115 56.400 -0.095 0.000 0.856 710 E CB 0.981 30.666 29.700 -0.026 0.000 1.120 710 E HN 0.911 nan 8.360 nan 0.000 0.397 711 A N 1.823 124.614 122.820 -0.047 0.000 2.598 711 A HA 0.309 4.641 4.320 0.020 0.000 0.239 711 A C 1.369 178.959 177.584 0.011 0.000 1.032 711 A CA 0.843 52.867 52.037 -0.023 0.000 0.760 711 A CB -0.994 17.993 19.000 -0.022 0.000 0.946 711 A HN 1.132 nan 8.150 nan 0.000 0.512 712 G N 1.052 109.869 108.800 0.028 0.000 2.175 712 G HA2 -0.241 3.731 3.960 0.020 0.000 0.244 712 G HA3 -0.241 3.731 3.960 0.020 0.000 0.244 712 G C 0.194 175.136 174.900 0.070 0.000 0.982 712 G CA 0.683 45.804 45.100 0.034 0.000 0.641 712 G HN 1.911 nan 8.290 nan 0.000 0.527 713 H N 0.650 119.727 119.070 0.012 0.000 2.964 713 H HA 0.462 5.030 4.556 0.020 0.000 0.328 713 H C 0.684 176.091 175.328 0.131 0.000 1.030 713 H CA 0.208 56.291 56.048 0.057 0.000 1.445 713 H CB 0.179 29.948 29.762 0.010 0.000 1.449 713 H HN 0.294 nan 8.280 nan 0.000 0.581 714 I N 4.798 125.104 120.570 -0.440 0.000 2.315 714 I HA 0.040 4.222 4.170 0.020 0.000 0.291 714 I C 0.859 176.852 176.117 -0.207 0.000 1.006 714 I CA -0.003 61.189 61.300 -0.180 0.000 1.265 714 I CB 1.473 39.442 38.000 -0.052 0.000 1.387 714 I HN 0.784 nan 8.210 nan 0.000 0.475 715 S N 4.174 119.959 115.700 0.141 0.000 2.524 715 S HA 0.602 5.084 4.470 0.020 0.000 0.215 715 S C 0.418 175.301 174.600 0.471 0.000 0.986 715 S CA -0.054 58.369 58.200 0.371 0.000 0.911 715 S CB 0.472 64.006 63.200 0.556 0.000 0.805 715 S HN 0.729 nan 8.310 nan 0.000 0.501 716 A N 0.464 123.600 122.820 0.526 0.000 2.586 716 A HA 0.661 4.993 4.320 0.020 0.000 0.291 716 A C -1.795 176.181 177.584 0.653 0.000 1.062 716 A CA -0.874 51.460 52.037 0.496 0.000 0.666 716 A CB 0.196 19.531 19.000 0.558 0.000 1.281 716 A HN 0.953 nan 8.150 nan 0.000 0.421 717 W N -0.618 120.847 121.300 0.275 0.000 2.937 717 W HA 0.803 5.475 4.660 0.021 0.000 0.360 717 W C -1.175 175.372 176.519 0.046 0.000 1.215 717 W CA -0.565 56.822 57.345 0.070 0.000 1.183 717 W CB 1.061 30.529 29.460 0.015 0.000 1.458 717 W HN 1.132 nan 8.180 nan 0.000 0.574 718 Q N 0.882 120.711 119.800 0.047 0.000 2.647 718 Q HA 0.440 4.792 4.340 0.020 0.000 0.283 718 Q C -1.669 174.193 176.000 -0.231 0.000 0.943 718 Q CA -0.454 55.229 55.803 -0.199 0.000 0.813 718 Q CB 2.271 30.724 28.738 -0.474 0.000 1.477 718 Q HN 0.626 nan 8.270 nan 0.000 0.393 719 Q N 1.054 120.655 119.800 -0.332 0.000 2.484 719 Q HA 0.684 5.036 4.340 0.020 0.000 0.285 719 Q C -1.207 174.703 176.000 -0.151 0.000 1.097 719 Q CA -0.747 55.045 55.803 -0.019 0.000 0.802 719 Q CB 2.495 31.383 28.738 0.250 0.000 1.444 719 Q HN 0.625 nan 8.270 nan 0.000 0.429 720 W N 0.904 122.385 121.300 0.302 0.000 3.256 720 W HA 0.397 5.069 4.660 0.020 0.000 0.324 720 W C -0.666 175.767 176.519 -0.143 0.000 1.196 720 W CA -0.627 56.783 57.345 0.108 0.000 1.206 720 W CB 1.686 31.166 29.460 0.033 0.000 1.385 720 W HN 0.485 nan 8.180 nan 0.000 0.522 721 R N 1.828 122.115 120.500 -0.354 0.000 2.441 721 R HA 0.532 4.884 4.340 0.020 0.000 0.284 721 R C 0.432 176.520 176.300 -0.353 0.000 1.070 721 R CA -0.264 55.314 56.100 -0.869 0.000 1.047 721 R CB 1.242 30.941 30.300 -1.003 0.000 1.016 721 R HN 0.304 nan 8.270 nan 0.000 0.477 722 L N 1.107 122.146 121.223 -0.308 0.000 2.836 722 L HA 0.532 4.884 4.340 0.020 0.000 0.216 722 L C 0.717 177.480 176.870 -0.177 0.000 1.861 722 L CA -1.109 53.630 54.840 -0.169 0.000 2.145 722 L CB -0.007 41.989 42.059 -0.104 0.000 2.671 722 L HN 0.648 nan 8.230 nan 0.000 0.594 723 A N 0.247 122.994 122.820 -0.121 0.000 2.492 723 A HA 0.177 4.509 4.320 0.020 0.000 0.236 723 A C -0.258 177.260 177.584 -0.110 0.000 1.078 723 A CA 0.329 52.305 52.037 -0.102 0.000 0.773 723 A CB 0.088 19.048 19.000 -0.068 0.000 1.023 723 A HN 0.639 nan 8.150 nan 0.000 0.504 724 E N 0.516 120.664 120.200 -0.086 0.000 2.272 724 E HA 0.334 4.696 4.350 0.020 0.000 0.269 724 E C -1.542 175.037 176.600 -0.035 0.000 0.877 724 E CA -0.730 55.628 56.400 -0.070 0.000 0.755 724 E CB 1.071 30.720 29.700 -0.086 0.000 1.192 724 E HN 0.730 nan 8.360 nan 0.000 0.422 725 N N 5.302 123.994 118.700 -0.014 0.000 2.479 725 N HA 0.269 5.021 4.740 0.020 0.000 0.261 725 N C -0.466 175.049 175.510 0.009 0.000 0.979 725 N CA -0.433 52.616 53.050 -0.002 0.000 0.930 725 N CB 1.408 39.898 38.487 0.004 0.000 1.172 725 N HN 0.442 nan 8.380 nan 0.000 0.499 726 L N 1.005 122.233 121.223 0.008 0.000 2.453 726 L HA 0.083 4.435 4.340 0.020 0.000 0.272 726 L C 1.354 178.238 176.870 0.023 0.000 1.182 726 L CA 0.071 54.922 54.840 0.018 0.000 0.858 726 L CB 0.471 42.539 42.059 0.016 0.000 1.120 726 L HN 0.430 nan 8.230 nan 0.000 0.474 727 S N 1.779 117.498 115.700 0.031 0.000 2.510 727 S HA 0.218 4.700 4.470 0.020 0.000 0.279 727 S C 0.662 175.278 174.600 0.027 0.000 1.284 727 S CA -0.707 57.512 58.200 0.031 0.000 1.059 727 S CB 0.834 64.057 63.200 0.038 0.000 0.901 727 S HN 0.479 nan 8.310 nan 0.000 0.491 728 V N 2.109 122.036 119.914 0.022 0.000 3.477 728 V HA 0.303 4.435 4.120 0.020 0.000 0.297 728 V C 0.603 176.708 176.094 0.019 0.000 1.433 728 V CA 0.138 62.449 62.300 0.020 0.000 1.052 728 V CB -0.723 31.110 31.823 0.015 0.000 0.895 728 V HN 0.840 nan 8.190 nan 0.000 0.438 729 T N 2.602 117.168 114.554 0.021 0.000 2.817 729 T HA 0.521 4.883 4.350 0.020 0.000 0.295 729 T C -0.174 174.537 174.700 0.019 0.000 0.958 729 T CA -0.300 61.811 62.100 0.019 0.000 1.157 729 T CB 0.487 69.366 68.868 0.019 0.000 0.898 729 T HN 0.200 nan 8.240 nan 0.000 0.536 730 L N 6.062 127.295 121.223 0.016 0.000 2.462 730 L HA 0.232 4.584 4.340 0.020 0.000 0.272 730 L C -0.611 176.266 176.870 0.012 0.000 1.166 730 L CA -1.104 53.745 54.840 0.014 0.000 0.880 730 L CB -1.192 40.874 42.059 0.012 0.000 1.142 730 L HN 0.531 nan 8.230 nan 0.000 0.473 731 P HA -0.122 nan 4.420 nan 0.000 0.229 731 P C -0.396 176.902 177.300 -0.004 0.000 0.941 731 P CA 1.293 64.394 63.100 0.002 0.000 1.063 731 P CB 0.040 31.738 31.700 -0.003 0.000 0.648 732 A N -3.512 119.300 122.820 -0.014 0.000 2.522 732 A HA 0.563 4.895 4.320 0.020 0.000 0.294 732 A C -0.854 176.716 177.584 -0.023 0.000 1.001 732 A CA -0.294 51.733 52.037 -0.016 0.000 0.642 732 A CB -0.105 18.879 19.000 -0.027 0.000 1.326 732 A HN 0.532 nan 8.150 nan 0.000 0.435 733 A N 1.596 124.423 122.820 0.012 0.000 3.157 733 A HA 0.414 4.746 4.320 0.020 0.000 0.290 733 A C 0.827 178.438 177.584 0.046 0.000 1.945 733 A CA 1.027 53.094 52.037 0.051 0.000 1.315 733 A CB -1.714 17.349 19.000 0.106 0.000 0.895 733 A HN 1.849 nan 8.150 nan 0.000 0.588 734 S N 1.336 117.038 115.700 0.003 0.000 3.545 734 S HA -0.134 4.348 4.470 0.020 0.000 0.421 734 S C 1.074 175.722 174.600 0.079 0.000 1.160 734 S CA 0.826 59.023 58.200 -0.005 0.000 1.002 734 S CB -0.326 62.880 63.200 0.010 0.000 0.703 734 S HN 0.815 nan 8.310 nan 0.000 0.505 735 H N 1.577 120.661 119.070 0.022 0.000 2.363 735 H HA 0.161 4.729 4.556 0.020 0.000 0.301 735 H C 1.175 176.517 175.328 0.023 0.000 1.074 735 H CA 0.712 56.773 56.048 0.021 0.000 1.354 735 H CB 0.249 30.023 29.762 0.021 0.000 1.397 735 H HN 0.685 nan 8.280 nan 0.000 0.516 736 A N 0.531 123.433 122.820 0.137 0.000 2.486 736 A HA 0.660 4.992 4.320 0.020 0.000 0.277 736 A C -1.302 176.325 177.584 0.072 0.000 1.282 736 A CA -0.704 51.390 52.037 0.094 0.000 0.784 736 A CB 1.417 20.473 19.000 0.093 0.000 1.350 736 A HN 0.112 nan 8.150 nan 0.000 0.454 737 I N 1.219 121.833 120.570 0.072 0.000 2.468 737 I HA 0.333 4.515 4.170 0.020 0.000 0.285 737 I C -2.548 173.622 176.117 0.088 0.000 1.039 737 I CA -1.928 59.410 61.300 0.064 0.000 1.074 737 I CB 2.016 40.045 38.000 0.049 0.000 1.228 737 I HN 0.336 nan 8.210 nan 0.000 0.436 738 P HA -0.016 nan 4.420 nan 0.000 0.266 738 P C -0.771 176.602 177.300 0.121 0.000 1.195 738 P CA 0.410 63.575 63.100 0.109 0.000 0.768 738 P CB 0.422 32.149 31.700 0.046 0.000 0.838 739 H N 2.786 121.897 119.070 0.068 0.000 2.459 739 H HA 0.387 4.955 4.556 0.020 0.000 0.332 739 H C -0.942 174.425 175.328 0.065 0.000 1.094 739 H CA -0.887 55.192 56.048 0.051 0.000 1.224 739 H CB 1.311 31.101 29.762 0.046 0.000 1.449 739 H HN 0.227 nan 8.280 nan 0.000 0.484 740 L N 4.542 125.614 121.223 -0.252 0.000 2.275 740 L HA 0.298 4.650 4.340 0.020 0.000 0.288 740 L C -0.484 176.423 176.870 0.062 0.000 1.046 740 L CA -0.080 54.737 54.840 -0.037 0.000 0.805 740 L CB 1.421 43.414 42.059 -0.111 0.000 1.193 740 L HN 0.531 nan 8.230 nan 0.000 0.426 741 T N 3.429 118.110 114.554 0.213 0.000 3.149 741 T HA 0.223 4.585 4.350 0.020 0.000 0.373 741 T C 0.033 174.856 174.700 0.206 0.000 1.364 741 T CA -0.243 61.985 62.100 0.213 0.000 1.110 741 T CB -0.183 68.801 68.868 0.193 0.000 1.127 741 T HN 0.706 nan 8.240 nan 0.000 0.576 742 T N 4.023 118.704 114.554 0.211 0.000 2.769 742 T HA 0.312 4.674 4.350 0.020 0.000 0.293 742 T C 0.775 175.547 174.700 0.120 0.000 0.931 742 T CA -0.252 62.002 62.100 0.257 0.000 1.139 742 T CB 0.166 69.210 68.868 0.294 0.000 0.881 742 T HN 0.648 nan 8.240 nan 0.000 0.532 743 S N 2.384 118.108 115.700 0.040 0.000 2.704 743 S HA 0.459 4.941 4.470 0.020 0.000 0.305 743 S C 0.825 175.382 174.600 -0.073 0.000 1.107 743 S CA -0.997 57.200 58.200 -0.005 0.000 0.993 743 S CB 1.542 64.743 63.200 0.001 0.000 1.110 743 S HN 0.536 nan 8.310 nan 0.000 0.534 744 E N -0.238 119.930 120.200 -0.054 0.000 2.472 744 E HA -0.003 4.359 4.350 0.020 0.000 0.200 744 E C 0.967 177.499 176.600 -0.114 0.000 1.046 744 E CA 1.170 57.523 56.400 -0.077 0.000 0.871 744 E CB -0.391 29.285 29.700 -0.039 0.000 0.806 744 E HN 0.676 nan 8.360 nan 0.000 0.533 745 M N -0.623 118.912 119.600 -0.107 0.000 2.838 745 M HA 0.213 4.705 4.480 0.020 0.000 0.251 745 M C -0.342 175.877 176.300 -0.135 0.000 1.393 745 M CA 0.364 55.608 55.300 -0.095 0.000 1.196 745 M CB 0.507 33.086 32.600 -0.034 0.000 1.276 745 M HN -0.237 nan 8.290 nan 0.000 0.541 746 D N -0.503 119.820 120.400 -0.128 0.000 2.490 746 D HA 0.460 5.112 4.640 0.020 0.000 0.232 746 D C -1.256 174.977 176.300 -0.110 0.000 1.053 746 D CA -0.278 53.668 54.000 -0.089 0.000 0.914 746 D CB 1.459 42.295 40.800 0.062 0.000 1.431 746 D HN 0.026 nan 8.370 nan 0.000 0.483 747 F N 0.496 120.538 119.950 0.153 0.000 2.361 747 F HA 0.354 4.893 4.527 0.020 0.000 0.364 747 F C 0.127 176.068 175.800 0.236 0.000 1.117 747 F CA -0.802 57.286 58.000 0.146 0.000 1.071 747 F CB 1.219 40.274 39.000 0.092 0.000 1.188 747 F HN 0.020 nan 8.300 nan 0.000 0.464 748 C N 5.034 124.561 119.300 0.379 0.000 2.411 748 C HA 0.756 5.228 4.460 0.020 0.000 0.330 748 C C -0.427 174.754 174.990 0.318 0.000 1.224 748 C CA -0.566 58.645 59.018 0.321 0.000 1.770 748 C CB 0.740 28.600 27.740 0.200 0.000 2.297 748 C HN 0.580 nan 8.230 nan 0.000 0.507 749 I N 3.760 124.560 120.570 0.383 0.000 2.533 749 I HA 0.480 4.662 4.170 0.020 0.000 0.290 749 I C -0.711 175.664 176.117 0.430 0.000 1.056 749 I CA -0.128 61.405 61.300 0.387 0.000 1.057 749 I CB 1.894 40.154 38.000 0.434 0.000 1.240 749 I HN 0.573 nan 8.210 nan 0.000 0.423 750 E N 6.238 126.634 120.200 0.328 0.000 2.266 750 E HA 0.793 5.155 4.350 0.020 0.000 0.268 750 E C -1.208 175.549 176.600 0.261 0.000 0.879 750 E CA -0.668 55.881 56.400 0.249 0.000 0.762 750 E CB 2.596 32.360 29.700 0.108 0.000 1.199 750 E HN 0.444 nan 8.360 nan 0.000 0.422 751 L N 2.036 123.402 121.223 0.238 0.000 2.628 751 L HA 0.576 4.928 4.340 0.020 0.000 0.258 751 L C 0.184 177.124 176.870 0.117 0.000 1.027 751 L CA 0.649 55.613 54.840 0.207 0.000 0.910 751 L CB 0.477 42.704 42.059 0.279 0.000 1.157 751 L HN 0.727 nan 8.230 nan 0.000 0.452 752 G N 3.550 112.385 108.800 0.059 0.000 2.527 752 G HA2 -0.342 3.630 3.960 0.020 0.000 0.262 752 G HA3 -0.342 3.630 3.960 0.020 0.000 0.262 752 G C 0.366 175.252 174.900 -0.023 0.000 1.153 752 G CA 0.322 45.434 45.100 0.021 0.000 0.954 752 G HN 1.142 nan 8.290 nan 0.000 0.552 753 N N 1.585 120.260 118.700 -0.041 0.000 2.313 753 N HA 0.174 4.926 4.740 0.020 0.000 0.207 753 N C 0.183 175.618 175.510 -0.124 0.000 1.141 753 N CA 0.616 53.621 53.050 -0.076 0.000 0.830 753 N CB 0.228 38.676 38.487 -0.065 0.000 1.008 753 N HN 0.760 nan 8.380 nan 0.000 0.481 754 K N 0.102 120.409 120.400 -0.155 0.000 2.318 754 K HA 0.510 4.842 4.320 0.020 0.000 0.249 754 K C -0.839 175.541 176.600 -0.366 0.000 0.942 754 K CA -0.724 55.359 56.287 -0.341 0.000 0.808 754 K CB 2.689 34.900 32.500 -0.483 0.000 1.189 754 K HN -0.013 nan 8.250 nan 0.000 0.428 755 R N 1.391 121.591 120.500 -0.500 0.000 2.668 755 R HA 0.411 4.763 4.340 0.020 0.000 0.272 755 R C -1.685 174.438 176.300 -0.294 0.000 1.019 755 R CA -0.630 55.331 56.100 -0.230 0.000 0.894 755 R CB 1.385 31.589 30.300 -0.161 0.000 1.228 755 R HN 0.595 nan 8.270 nan 0.000 0.460 756 W N 2.907 124.317 121.300 0.183 0.000 2.785 756 W HA 0.364 5.036 4.660 0.020 0.000 0.333 756 W C -0.747 175.853 176.519 0.134 0.000 1.062 756 W CA -0.555 56.841 57.345 0.085 0.000 1.233 756 W CB 2.323 31.847 29.460 0.106 0.000 1.413 756 W HN 0.407 nan 8.180 nan 0.000 0.489 757 Q N 2.737 122.649 119.800 0.186 0.000 2.325 757 Q HA 0.373 4.725 4.340 0.020 0.000 0.270 757 Q C -1.798 174.155 176.000 -0.077 0.000 1.020 757 Q CA -0.551 55.369 55.803 0.195 0.000 0.785 757 Q CB 1.583 30.508 28.738 0.312 0.000 1.259 757 Q HN 0.357 nan 8.270 nan 0.000 0.452 758 F N 3.013 123.068 119.950 0.174 0.000 2.402 758 F HA 0.268 4.807 4.527 0.020 0.000 0.355 758 F C 0.743 176.592 175.800 0.082 0.000 1.123 758 F CA -0.906 57.162 58.000 0.114 0.000 1.021 758 F CB 0.968 40.023 39.000 0.092 0.000 1.160 758 F HN 0.415 nan 8.300 nan 0.000 0.451 759 N N 3.550 122.361 118.700 0.185 0.000 2.452 759 N HA 0.047 4.799 4.740 0.020 0.000 0.266 759 N C 1.050 176.598 175.510 0.062 0.000 1.175 759 N CA 0.213 53.325 53.050 0.103 0.000 0.945 759 N CB 0.660 39.217 38.487 0.116 0.000 1.063 759 N HN 0.666 nan 8.380 nan 0.000 0.472 760 R N 2.479 122.939 120.500 -0.065 0.000 2.237 760 R HA -0.080 4.272 4.340 0.020 0.000 0.219 760 R C 1.319 177.592 176.300 -0.046 0.000 1.080 760 R CA 1.094 57.105 56.100 -0.148 0.000 0.995 760 R CB 0.260 30.336 30.300 -0.373 0.000 0.875 760 R HN 0.683 nan 8.270 nan 0.000 0.462 761 Q N -0.819 118.980 119.800 -0.001 0.000 2.324 761 Q HA -0.027 4.325 4.340 0.020 0.000 0.207 761 Q C 2.111 178.149 176.000 0.063 0.000 0.928 761 Q CA 1.132 56.949 55.803 0.023 0.000 0.890 761 Q CB 0.485 29.236 28.738 0.022 0.000 1.001 761 Q HN 0.255 nan 8.270 nan 0.000 0.517 762 S N -1.213 114.550 115.700 0.105 0.000 2.377 762 S HA 0.034 4.516 4.470 0.020 0.000 0.223 762 S C 1.568 176.210 174.600 0.070 0.000 1.030 762 S CA 1.021 59.331 58.200 0.183 0.000 0.970 762 S CB -0.039 63.359 63.200 0.330 0.000 0.830 762 S HN 0.517 nan 8.310 nan 0.000 0.473 763 G N 0.232 109.066 108.800 0.057 0.000 2.136 763 G HA2 -0.190 3.782 3.960 0.020 0.000 0.242 763 G HA3 -0.190 3.782 3.960 0.020 0.000 0.242 763 G C -0.085 174.752 174.900 -0.105 0.000 0.989 763 G CA 0.313 45.406 45.100 -0.013 0.000 0.682 763 G HN 0.533 nan 8.290 nan 0.000 0.522 764 F N -1.448 118.685 119.950 0.305 0.000 2.594 764 F HA 0.706 5.245 4.527 0.020 0.000 0.335 764 F C 0.399 176.282 175.800 0.139 0.000 1.058 764 F CA -1.436 56.728 58.000 0.274 0.000 0.981 764 F CB 1.303 40.413 39.000 0.184 0.000 1.289 764 F HN -0.022 nan 8.300 nan 0.000 0.490 765 L N 1.862 123.224 121.223 0.230 0.000 2.401 765 L HA 0.226 4.578 4.340 0.020 0.000 0.283 765 L C 1.004 177.828 176.870 -0.076 0.000 1.151 765 L CA 0.168 54.844 54.840 -0.272 0.000 0.942 765 L CB -0.313 41.575 42.059 -0.285 0.000 1.283 765 L HN 0.670 nan 8.230 nan 0.000 0.442 766 S N 2.575 118.228 115.700 -0.078 0.000 2.406 766 S HA 0.044 4.526 4.470 0.020 0.000 0.228 766 S C 0.727 175.231 174.600 -0.160 0.000 1.020 766 S CA 0.419 58.589 58.200 -0.050 0.000 0.965 766 S CB -0.134 63.071 63.200 0.009 0.000 0.798 766 S HN 0.683 nan 8.310 nan 0.000 0.488 767 Q N -0.599 119.049 119.800 -0.253 0.000 2.527 767 Q HA 0.620 4.972 4.340 0.020 0.000 0.280 767 Q C -1.875 173.816 176.000 -0.514 0.000 0.977 767 Q CA -0.399 55.112 55.803 -0.486 0.000 0.837 767 Q CB 1.581 29.843 28.738 -0.794 0.000 1.454 767 Q HN 0.256 nan 8.270 nan 0.000 0.387 768 M N 3.014 122.210 119.600 -0.674 0.000 2.378 768 M HA 0.524 5.016 4.480 0.020 0.000 0.289 768 M C -1.979 174.011 176.300 -0.516 0.000 1.136 768 M CA -0.091 54.900 55.300 -0.515 0.000 0.917 768 M CB 1.638 33.941 32.600 -0.494 0.000 1.669 768 M HN 0.801 nan 8.290 nan 0.000 0.461 769 W N 5.249 126.293 121.300 -0.426 0.000 2.761 769 W HA 0.632 5.305 4.660 0.020 0.000 0.340 769 W C -0.952 175.358 176.519 -0.348 0.000 1.072 769 W CA -0.798 56.360 57.345 -0.313 0.000 1.215 769 W CB 1.843 31.167 29.460 -0.226 0.000 1.420 769 W HN 0.476 nan 8.180 nan 0.000 0.519 770 I N 2.337 122.893 120.570 -0.022 0.000 2.468 770 I HA 0.431 4.613 4.170 0.020 0.000 0.285 770 I C 0.711 176.800 176.117 -0.047 0.000 1.039 770 I CA 0.072 61.314 61.300 -0.097 0.000 1.074 770 I CB 1.371 39.280 38.000 -0.151 0.000 1.228 770 I HN 0.764 nan 8.210 nan 0.000 0.436 771 G N 6.021 114.786 108.800 -0.057 0.000 2.531 771 G HA2 -0.280 3.692 3.960 0.020 0.000 0.274 771 G HA3 -0.280 3.692 3.960 0.020 0.000 0.274 771 G C 0.168 175.055 174.900 -0.022 0.000 1.159 771 G CA 0.455 45.529 45.100 -0.044 0.000 0.969 771 G HN 0.777 nan 8.290 nan 0.000 0.554 772 D N 0.551 120.956 120.400 0.008 0.000 2.440 772 D HA 0.313 4.965 4.640 0.020 0.000 0.216 772 D C 0.416 176.833 176.300 0.195 0.000 1.150 772 D CA 0.012 54.041 54.000 0.049 0.000 0.832 772 D CB 0.329 41.132 40.800 0.005 0.000 0.992 772 D HN 0.288 nan 8.370 nan 0.000 0.502 773 K N 1.263 121.748 120.400 0.141 0.000 2.297 773 K HA 0.282 4.614 4.320 0.020 0.000 0.286 773 K C 0.171 176.782 176.600 0.019 0.000 1.053 773 K CA -0.260 56.071 56.287 0.074 0.000 0.940 773 K CB 1.194 33.689 32.500 -0.008 0.000 1.019 773 K HN -0.011 nan 8.250 nan 0.000 0.475 774 K N 2.470 122.791 120.400 -0.132 0.000 2.298 774 K HA 0.073 4.405 4.320 0.020 0.000 0.280 774 K C 0.788 177.220 176.600 -0.280 0.000 1.032 774 K CA -0.373 55.643 56.287 -0.452 0.000 0.958 774 K CB 0.773 33.024 32.500 -0.414 0.000 0.978 774 K HN 0.358 nan 8.250 nan 0.000 0.472 775 Q N 1.336 120.951 119.800 -0.308 0.000 2.392 775 Q HA 0.174 4.526 4.340 0.020 0.000 0.219 775 Q C 0.163 176.116 176.000 -0.079 0.000 0.895 775 Q CA 0.586 56.325 55.803 -0.105 0.000 0.929 775 Q CB 0.426 29.145 28.738 -0.031 0.000 1.077 775 Q HN 0.517 nan 8.270 nan 0.000 0.532 776 L N 0.953 122.063 121.223 -0.188 0.000 2.329 776 L HA 0.353 4.705 4.340 0.020 0.000 0.279 776 L C 1.038 177.793 176.870 -0.191 0.000 1.014 776 L CA -0.359 54.384 54.840 -0.162 0.000 0.814 776 L CB 1.541 43.501 42.059 -0.165 0.000 1.257 776 L HN -0.059 nan 8.230 nan 0.000 0.424 777 L N 1.005 122.106 121.223 -0.203 0.000 2.416 777 L HA 0.165 4.517 4.340 0.020 0.000 0.216 777 L C 0.138 176.908 176.870 -0.166 0.000 1.098 777 L CA 0.631 55.354 54.840 -0.195 0.000 0.840 777 L CB 0.113 42.039 42.059 -0.222 0.000 0.981 777 L HN 0.693 nan 8.230 nan 0.000 0.462 778 T N -2.036 112.411 114.554 -0.178 0.000 2.923 778 T HA 0.408 4.770 4.350 0.020 0.000 0.311 778 T C -2.777 171.874 174.700 -0.081 0.000 1.183 778 T CA -1.585 60.453 62.100 -0.102 0.000 1.020 778 T CB 1.924 70.759 68.868 -0.054 0.000 1.165 778 T HN -0.289 nan 8.240 nan 0.000 0.482 779 P HA 0.122 nan 4.420 nan 0.000 0.270 779 P C -0.566 176.726 177.300 -0.014 0.000 1.221 779 P CA -0.630 62.451 63.100 -0.032 0.000 0.788 779 P CB 0.464 32.152 31.700 -0.020 0.000 0.904 780 L N 2.682 123.952 121.223 0.078 0.000 2.278 780 L HA 0.324 4.676 4.340 0.020 0.000 0.287 780 L C 0.207 177.159 176.870 0.137 0.000 1.072 780 L CA 0.315 55.246 54.840 0.151 0.000 0.819 780 L CB -0.166 42.075 42.059 0.304 0.000 1.176 780 L HN 0.293 nan 8.230 nan 0.000 0.435 781 R N 2.370 122.870 120.500 -0.000 0.000 2.771 781 R HA 0.465 4.817 4.340 0.020 0.000 0.274 781 R C -1.197 175.092 176.300 -0.018 0.000 0.987 781 R CA -0.824 55.218 56.100 -0.097 0.000 0.908 781 R CB 1.220 31.199 30.300 -0.535 0.000 1.213 781 R HN 0.547 nan 8.270 nan 0.000 0.468 782 D N 1.125 121.579 120.400 0.090 0.000 2.423 782 D HA 0.077 4.729 4.640 0.020 0.000 0.238 782 D C -0.497 175.419 176.300 -0.641 0.000 1.142 782 D CA 0.242 54.072 54.000 -0.284 0.000 0.884 782 D CB 0.650 41.184 40.800 -0.442 0.000 1.199 782 D HN 0.221 nan 8.370 nan 0.000 0.438 783 Q N 1.093 120.378 119.800 -0.858 0.000 2.356 783 Q HA 0.402 4.754 4.340 0.020 0.000 0.270 783 Q C -1.165 174.181 176.000 -1.089 0.000 1.058 783 Q CA -0.656 54.671 55.803 -0.793 0.000 0.802 783 Q CB 0.897 29.383 28.738 -0.420 0.000 1.303 783 Q HN 0.571 nan 8.270 nan 0.000 0.444 784 F N 0.751 120.326 119.950 -0.625 0.000 2.724 784 F HA 0.214 4.753 4.527 0.020 0.000 0.310 784 F C 0.300 175.689 175.800 -0.685 0.000 1.107 784 F CA -0.306 57.239 58.000 -0.759 0.000 1.218 784 F CB 1.571 39.829 39.000 -1.238 0.000 1.042 784 F HN 0.443 nan 8.300 nan 0.000 0.540 785 T N -1.004 113.257 114.554 -0.488 0.000 2.883 785 T HA 0.780 5.142 4.350 0.020 0.000 0.296 785 T C -0.657 173.779 174.700 -0.441 0.000 1.117 785 T CA -1.043 60.670 62.100 -0.645 0.000 1.006 785 T CB 2.730 71.102 68.868 -0.826 0.000 1.191 785 T HN 0.240 nan 8.240 nan 0.000 0.508 786 R N 0.120 120.389 120.500 -0.385 0.000 2.807 786 R HA 0.818 5.170 4.340 0.020 0.000 0.276 786 R C -0.631 175.720 176.300 0.084 0.000 0.979 786 R CA -1.274 54.759 56.100 -0.113 0.000 0.928 786 R CB 1.553 31.820 30.300 -0.055 0.000 1.191 786 R HN 0.813 nan 8.270 nan 0.000 0.471 787 A N 3.307 126.176 122.820 0.081 0.000 2.491 787 A HA 0.293 4.625 4.320 0.020 0.000 0.261 787 A C -1.993 175.677 177.584 0.143 0.000 1.101 787 A CA -1.472 50.625 52.037 0.099 0.000 0.772 787 A CB -0.458 18.532 19.000 -0.015 0.000 1.043 787 A HN 0.554 nan 8.150 nan 0.000 0.501 788 P HA 0.024 nan 4.420 nan 0.000 0.260 788 P C -0.365 177.107 177.300 0.287 0.000 1.172 788 P CA 0.744 64.028 63.100 0.307 0.000 0.760 788 P CB 0.148 32.045 31.700 0.329 0.000 0.773 789 L N 2.702 124.050 121.223 0.209 0.000 2.456 789 L HA 0.196 4.548 4.340 0.020 0.000 0.257 789 L C 1.864 178.783 176.870 0.081 0.000 1.162 789 L CA -0.603 54.307 54.840 0.117 0.000 0.808 789 L CB 0.010 42.048 42.059 -0.035 0.000 1.136 789 L HN 0.250 nan 8.230 nan 0.000 0.466 790 D N 0.648 121.015 120.400 -0.055 0.000 2.133 790 D HA -0.191 4.461 4.640 0.020 0.000 0.192 790 D C 1.616 177.841 176.300 -0.124 0.000 1.001 790 D CA 1.628 55.476 54.000 -0.253 0.000 0.844 790 D CB -0.019 40.554 40.800 -0.377 0.000 0.944 790 D HN 0.519 nan 8.370 nan 0.000 0.447 791 N N 0.949 119.603 118.700 -0.076 0.000 2.289 791 N HA -0.109 4.643 4.740 0.020 0.000 0.184 791 N C 1.115 176.662 175.510 0.061 0.000 1.016 791 N CA 0.707 53.750 53.050 -0.012 0.000 0.872 791 N CB -0.151 38.322 38.487 -0.024 0.000 0.973 791 N HN 0.287 nan 8.380 nan 0.000 0.433 792 D N 0.256 120.713 120.400 0.096 0.000 2.277 792 D HA 0.071 4.723 4.640 0.020 0.000 0.208 792 D C 1.991 178.381 176.300 0.151 0.000 0.962 792 D CA 0.220 54.328 54.000 0.179 0.000 0.865 792 D CB 0.283 41.269 40.800 0.310 0.000 0.939 792 D HN 0.311 nan 8.370 nan 0.000 0.510 793 I N 0.390 121.022 120.570 0.103 0.000 2.339 793 I HA 0.007 4.189 4.170 0.020 0.000 0.245 793 I C 1.864 178.029 176.117 0.079 0.000 1.096 793 I CA 0.799 62.144 61.300 0.075 0.000 1.408 793 I CB -0.373 37.627 38.000 -0.001 0.000 1.092 793 I HN 0.070 nan 8.210 nan 0.000 0.423 794 G N 1.234 110.102 108.800 0.113 0.000 2.583 794 G HA2 -0.369 3.603 3.960 0.020 0.000 0.292 794 G HA3 -0.369 3.603 3.960 0.020 0.000 0.292 794 G C 0.800 175.865 174.900 0.275 0.000 1.203 794 G CA 1.082 46.306 45.100 0.207 0.000 0.987 794 G HN 0.492 nan 8.290 nan 0.000 0.554 795 V N -1.682 118.309 119.914 0.128 0.000 3.354 795 V HA 0.501 4.633 4.120 0.020 0.000 0.258 795 V C 1.650 177.738 176.094 -0.011 0.000 1.159 795 V CA 1.590 63.886 62.300 -0.006 0.000 1.125 795 V CB -0.200 31.529 31.823 -0.157 0.000 0.774 795 V HN 1.897 nan 8.190 nan 0.000 0.464 796 S N 1.353 117.061 115.700 0.012 0.000 3.116 796 S HA -0.091 4.391 4.470 0.020 0.000 0.367 796 S C 0.029 174.633 174.600 0.008 0.000 1.202 796 S CA 0.471 58.673 58.200 0.003 0.000 1.018 796 S CB -0.555 62.653 63.200 0.013 0.000 0.726 796 S HN 0.839 nan 8.310 nan 0.000 0.506 797 E N 2.840 123.036 120.200 -0.006 0.000 2.221 797 E HA 0.680 5.042 4.350 0.020 0.000 0.268 797 E C 0.549 177.156 176.600 0.010 0.000 0.933 797 E CA -0.071 56.330 56.400 0.002 0.000 0.809 797 E CB 1.394 31.084 29.700 -0.017 0.000 1.190 797 E HN 0.602 nan 8.360 nan 0.000 0.406 798 A N 1.614 124.447 122.820 0.023 0.000 2.119 798 A HA -0.087 4.245 4.320 0.020 0.000 0.217 798 A C 1.646 179.239 177.584 0.016 0.000 1.153 798 A CA 1.787 53.839 52.037 0.024 0.000 0.692 798 A CB -0.525 18.496 19.000 0.034 0.000 0.799 798 A HN 0.670 nan 8.150 nan 0.000 0.458 799 T N -4.390 110.171 114.554 0.011 0.000 3.023 799 T HA 0.296 4.658 4.350 0.020 0.000 0.249 799 T C 0.838 175.534 174.700 -0.007 0.000 1.050 799 T CA 0.023 62.126 62.100 0.004 0.000 1.088 799 T CB 0.106 68.977 68.868 0.006 0.000 0.946 799 T HN 0.242 nan 8.240 nan 0.000 0.480 800 R N 0.623 121.115 120.500 -0.013 0.000 2.576 800 R HA 0.535 4.887 4.340 0.020 0.000 0.283 800 R C -1.137 175.148 176.300 -0.025 0.000 1.493 800 R CA -0.422 55.663 56.100 -0.025 0.000 1.170 800 R CB 0.830 31.105 30.300 -0.041 0.000 1.189 800 R HN 0.331 nan 8.270 nan 0.000 0.542 801 I N 1.282 121.841 120.570 -0.019 0.000 2.638 801 I HA 0.007 4.189 4.170 0.020 0.000 0.286 801 I C 0.309 176.407 176.117 -0.031 0.000 1.088 801 I CA 0.157 61.446 61.300 -0.018 0.000 1.397 801 I CB 0.821 38.814 38.000 -0.011 0.000 1.414 801 I HN 0.420 nan 8.210 nan 0.000 0.566 802 D N 7.977 128.357 120.400 -0.032 0.000 2.485 802 D HA 0.223 4.875 4.640 0.020 0.000 0.229 802 D C -1.713 174.550 176.300 -0.062 0.000 1.101 802 D CA -2.433 51.539 54.000 -0.046 0.000 0.906 802 D CB 1.117 41.892 40.800 -0.042 0.000 1.019 802 D HN 0.132 nan 8.370 nan 0.000 0.516 803 P HA -0.107 nan 4.420 nan 0.000 0.228 803 P C 0.870 178.088 177.300 -0.137 0.000 1.151 803 P CA 0.652 63.701 63.100 -0.085 0.000 0.770 803 P CB 0.177 31.833 31.700 -0.073 0.000 0.786 804 N N -0.268 118.345 118.700 -0.146 0.000 2.424 804 N HA 0.012 4.764 4.740 0.020 0.000 0.178 804 N C 0.447 175.776 175.510 -0.301 0.000 1.060 804 N CA -0.109 52.809 53.050 -0.219 0.000 0.901 804 N CB 0.025 38.405 38.487 -0.179 0.000 0.979 804 N HN -0.042 nan 8.380 nan 0.000 0.451 805 A N 0.475 123.170 122.820 -0.208 0.000 2.520 805 A HA -0.045 4.287 4.320 0.020 0.000 0.235 805 A C 0.647 178.055 177.584 -0.294 0.000 1.065 805 A CA -0.230 51.695 52.037 -0.187 0.000 0.764 805 A CB -0.189 18.776 19.000 -0.058 0.000 1.002 805 A HN 0.494 nan 8.150 nan 0.000 0.502 806 W N 1.676 122.756 121.300 -0.367 0.000 2.335 806 W HA -0.172 4.499 4.660 0.020 0.000 0.311 806 W C 2.251 178.343 176.519 -0.712 0.000 1.213 806 W CA 1.699 58.571 57.345 -0.788 0.000 1.274 806 W CB -0.330 28.510 29.460 -1.034 0.000 1.148 806 W HN 0.572 nan 8.180 nan 0.000 0.498 807 V N 0.986 120.923 119.914 0.038 0.000 2.282 807 V HA -0.317 3.815 4.120 0.020 0.000 0.249 807 V C 2.242 178.462 176.094 0.211 0.000 1.057 807 V CA 2.289 64.789 62.300 0.332 0.000 1.032 807 V CB -0.472 31.520 31.823 0.281 0.000 0.645 807 V HN 0.093 nan 8.190 nan 0.000 0.447 808 E N 0.240 120.466 120.200 0.043 0.000 2.110 808 E HA -0.213 4.149 4.350 0.020 0.000 0.193 808 E C 2.252 178.837 176.600 -0.026 0.000 0.988 808 E CA 1.471 57.877 56.400 0.011 0.000 0.804 808 E CB -0.438 29.241 29.700 -0.035 0.000 0.745 808 E HN 0.702 nan 8.360 nan 0.000 0.458 809 R N -0.321 120.089 120.500 -0.150 0.000 2.115 809 R HA -0.089 4.263 4.340 0.020 0.000 0.230 809 R C 2.232 178.481 176.300 -0.085 0.000 1.111 809 R CA 0.990 56.972 56.100 -0.197 0.000 0.976 809 R CB -0.307 29.749 30.300 -0.407 0.000 0.870 809 R HN 0.214 nan 8.270 nan 0.000 0.445 810 W N 2.149 123.421 121.300 -0.047 0.000 2.378 810 W HA 0.010 4.682 4.660 0.020 0.000 0.313 810 W C 2.065 178.556 176.519 -0.046 0.000 1.197 810 W CA 0.453 57.684 57.345 -0.189 0.000 1.304 810 W CB -0.641 28.851 29.460 0.053 0.000 1.148 810 W HN 0.061 nan 8.180 nan 0.000 0.494 811 K N 0.078 120.706 120.400 0.381 0.000 2.009 811 K HA -0.129 4.203 4.320 0.020 0.000 0.210 811 K C 2.211 178.877 176.600 0.110 0.000 1.049 811 K CA 1.857 58.320 56.287 0.293 0.000 0.929 811 K CB -0.689 31.925 32.500 0.192 0.000 0.714 811 K HN -0.016 nan 8.250 nan 0.000 0.440 812 A N 1.281 124.141 122.820 0.066 0.000 1.978 812 A HA -0.133 4.199 4.320 0.020 0.000 0.220 812 A C 2.194 179.760 177.584 -0.031 0.000 1.170 812 A CA 1.904 53.952 52.037 0.019 0.000 0.636 812 A CB -0.553 18.448 19.000 0.001 0.000 0.810 812 A HN 0.373 nan 8.150 nan 0.000 0.448 813 A N -2.008 120.774 122.820 -0.063 0.000 2.238 813 A HA 0.408 4.740 4.320 0.020 0.000 0.208 813 A C 1.797 179.225 177.584 -0.260 0.000 1.177 813 A CA 1.194 53.181 52.037 -0.082 0.000 0.804 813 A CB -0.863 18.101 19.000 -0.060 0.000 0.823 813 A HN 1.898 nan 8.150 nan 0.000 0.482 814 G N -1.438 107.110 108.800 -0.421 0.000 2.143 814 G HA2 -0.305 3.667 3.960 0.020 0.000 0.249 814 G HA3 -0.305 3.667 3.960 0.020 0.000 0.249 814 G C 0.588 175.485 174.900 -0.005 0.000 0.981 814 G CA 0.678 45.299 45.100 -0.798 0.000 0.665 814 G HN 0.755 nan 8.290 nan 0.000 0.528 815 H N -1.462 117.600 119.070 -0.013 0.000 2.387 815 H HA -0.049 4.519 4.556 0.020 0.000 0.299 815 H C 1.968 177.293 175.328 -0.006 0.000 1.090 815 H CA 1.460 57.523 56.048 0.025 0.000 1.332 815 H CB 0.094 29.809 29.762 -0.079 0.000 1.386 815 H HN 0.580 nan 8.280 nan 0.000 0.516 816 Y N 0.196 120.617 120.300 0.201 0.000 2.529 816 Y HA -0.027 4.535 4.550 0.020 0.000 0.290 816 Y C 1.390 177.379 175.900 0.149 0.000 1.177 816 Y CA 0.085 58.267 58.100 0.136 0.000 1.305 816 Y CB 0.573 39.096 38.460 0.105 0.000 1.047 816 Y HN 0.162 nan 8.280 nan 0.000 0.522 817 Q N -0.583 119.402 119.800 0.310 0.000 2.185 817 Q HA 0.353 4.705 4.340 0.020 0.000 0.234 817 Q C 0.722 176.939 176.000 0.362 0.000 0.819 817 Q CA 0.039 56.026 55.803 0.307 0.000 0.961 817 Q CB 0.210 29.137 28.738 0.314 0.000 1.140 817 Q HN 0.238 nan 8.270 nan 0.000 0.492 818 A N 2.402 125.458 122.820 0.393 0.000 2.555 818 A HA 0.164 4.496 4.320 0.020 0.000 0.233 818 A C 0.176 178.085 177.584 0.542 0.000 1.060 818 A CA 0.295 52.636 52.037 0.506 0.000 0.759 818 A CB 0.101 19.452 19.000 0.586 0.000 0.995 818 A HN 0.194 nan 8.150 nan 0.000 0.506 819 E N 1.174 121.615 120.200 0.401 0.000 2.222 819 E HA 0.577 4.939 4.350 0.020 0.000 0.267 819 E C -0.625 175.846 176.600 -0.215 0.000 0.884 819 E CA -0.832 55.674 56.400 0.178 0.000 0.764 819 E CB 1.747 31.518 29.700 0.118 0.000 1.169 819 E HN 0.687 nan 8.360 nan 0.000 0.413 820 A N 2.371 124.893 122.820 -0.497 0.000 2.395 820 A HA 0.474 4.806 4.320 0.020 0.000 0.286 820 A C 0.049 177.399 177.584 -0.389 0.000 1.193 820 A CA -0.214 51.248 52.037 -0.958 0.000 0.852 820 A CB -0.021 18.536 19.000 -0.738 0.000 1.118 820 A HN 0.652 nan 8.150 nan 0.000 0.524 821 A N 3.421 126.065 122.820 -0.293 0.000 2.249 821 A HA 0.547 4.879 4.320 0.020 0.000 0.314 821 A C -0.131 177.473 177.584 0.033 0.000 1.290 821 A CA -0.556 51.431 52.037 -0.084 0.000 0.893 821 A CB 0.126 19.103 19.000 -0.038 0.000 1.165 821 A HN 1.189 nan 8.150 nan 0.000 0.530 822 L N 2.988 124.272 121.223 0.102 0.000 2.499 822 L HA 0.187 4.539 4.340 0.020 0.000 0.273 822 L C 0.583 177.483 176.870 0.049 0.000 1.195 822 L CA 0.551 55.497 54.840 0.176 0.000 0.882 822 L CB 0.261 42.377 42.059 0.095 0.000 1.133 822 L HN 0.768 nan 8.230 nan 0.000 0.483 823 L N 3.043 124.255 121.223 -0.019 0.000 2.470 823 L HA 0.315 4.667 4.340 0.020 0.000 0.219 823 L C 0.376 177.226 176.870 -0.033 0.000 1.071 823 L CA 0.084 54.915 54.840 -0.014 0.000 0.850 823 L CB 0.049 42.108 42.059 0.000 0.000 1.040 823 L HN 0.691 nan 8.230 nan 0.000 0.475 824 Q N -0.161 119.589 119.800 -0.082 0.000 2.468 824 Q HA 0.186 4.538 4.340 0.020 0.000 0.263 824 Q C -2.200 173.755 176.000 -0.074 0.000 0.979 824 Q CA -0.281 55.489 55.803 -0.056 0.000 0.932 824 Q CB 2.597 31.310 28.738 -0.042 0.000 1.462 824 Q HN 0.035 nan 8.270 nan 0.000 0.403 825 C N 3.728 123.030 119.300 0.004 0.000 2.660 825 C HA 0.772 5.244 4.460 0.020 0.000 0.336 825 C C -0.453 174.656 174.990 0.198 0.000 1.058 825 C CA 0.370 59.431 59.018 0.071 0.000 1.368 825 C CB 0.325 28.120 27.740 0.092 0.000 1.884 825 C HN 0.787 nan 8.230 nan 0.000 0.454 826 T N 2.513 117.102 114.554 0.059 0.000 2.924 826 T HA 0.900 5.262 4.350 0.020 0.000 0.291 826 T C -0.480 173.957 174.700 -0.439 0.000 1.045 826 T CA -0.356 61.697 62.100 -0.078 0.000 1.015 826 T CB 1.959 70.777 68.868 -0.084 0.000 1.103 826 T HN 1.571 nan 8.240 nan 0.000 0.496 827 A N 1.652 124.009 122.820 -0.771 0.000 2.374 827 A HA 0.749 5.081 4.320 0.020 0.000 0.305 827 A C -1.258 176.029 177.584 -0.495 0.000 1.053 827 A CA -0.684 50.809 52.037 -0.906 0.000 0.726 827 A CB 1.404 19.426 19.000 -1.630 0.000 1.229 827 A HN 0.847 nan 8.150 nan 0.000 0.431 828 D N 0.815 121.006 120.400 -0.349 0.000 2.645 828 D HA 0.616 5.268 4.640 0.020 0.000 0.228 828 D C -0.711 175.474 176.300 -0.191 0.000 1.148 828 D CA 0.124 53.989 54.000 -0.224 0.000 0.860 828 D CB 2.389 43.089 40.800 -0.167 0.000 1.548 828 D HN 0.614 nan 8.370 nan 0.000 0.460 829 T N -0.370 114.096 114.554 -0.147 0.000 2.794 829 T HA 0.715 5.077 4.350 0.020 0.000 0.280 829 T C 0.361 175.005 174.700 -0.093 0.000 0.987 829 T CA -0.728 61.297 62.100 -0.124 0.000 0.993 829 T CB 0.894 69.691 68.868 -0.119 0.000 0.939 829 T HN 0.170 nan 8.240 nan 0.000 0.449 830 L N 1.939 123.113 121.223 -0.082 0.000 2.331 830 L HA 0.627 4.979 4.340 0.020 0.000 0.268 830 L C 2.071 178.914 176.870 -0.045 0.000 1.015 830 L CA -1.469 53.335 54.840 -0.060 0.000 0.807 830 L CB 0.694 42.719 42.059 -0.058 0.000 1.293 830 L HN 0.820 nan 8.230 nan 0.000 0.451 831 A N 1.108 123.908 122.820 -0.033 0.000 1.929 831 A HA -0.247 4.085 4.320 0.020 0.000 0.221 831 A C 1.090 178.663 177.584 -0.018 0.000 1.211 831 A CA 2.589 54.613 52.037 -0.022 0.000 0.657 831 A CB -0.581 18.410 19.000 -0.014 0.000 0.827 831 A HN 0.948 nan 8.150 nan 0.000 0.462 832 D N -3.013 117.375 120.400 -0.021 0.000 2.692 832 D HA 0.558 5.210 4.640 0.020 0.000 0.290 832 D C -0.199 176.085 176.300 -0.026 0.000 1.455 832 D CA 0.591 54.583 54.000 -0.014 0.000 0.796 832 D CB -0.417 40.379 40.800 -0.007 0.000 1.131 832 D HN 0.593 nan 8.370 nan 0.000 0.467 833 A N -0.471 122.323 122.820 -0.043 0.000 2.606 833 A HA 0.654 4.986 4.320 0.020 0.000 0.293 833 A C -1.573 175.959 177.584 -0.087 0.000 1.082 833 A CA -0.713 51.286 52.037 -0.063 0.000 0.685 833 A CB 2.064 21.027 19.000 -0.063 0.000 1.284 833 A HN 0.023 nan 8.150 nan 0.000 0.408 834 V N 1.211 121.057 119.914 -0.113 0.000 2.417 834 V HA 0.592 4.724 4.120 0.020 0.000 0.291 834 V C -0.928 175.062 176.094 -0.174 0.000 1.024 834 V CA -0.358 61.855 62.300 -0.145 0.000 0.861 834 V CB 1.240 32.980 31.823 -0.138 0.000 0.985 834 V HN 0.825 nan 8.190 nan 0.000 0.436 835 L N 7.097 128.207 121.223 -0.189 0.000 2.343 835 L HA 0.656 5.008 4.340 0.020 0.000 0.278 835 L C -1.006 175.706 176.870 -0.263 0.000 0.996 835 L CA -0.046 54.681 54.840 -0.189 0.000 0.831 835 L CB 1.294 43.272 42.059 -0.134 0.000 1.232 835 L HN 0.394 nan 8.230 nan 0.000 0.413 836 I N 4.169 124.559 120.570 -0.301 0.000 2.336 836 I HA 0.443 4.625 4.170 0.020 0.000 0.292 836 I C 0.017 176.046 176.117 -0.147 0.000 0.991 836 I CA -0.180 60.896 61.300 -0.374 0.000 1.227 836 I CB 1.438 38.991 38.000 -0.745 0.000 1.366 836 I HN 0.594 nan 8.210 nan 0.000 0.466 837 T N 5.048 119.525 114.554 -0.130 0.000 2.807 837 T HA 0.654 5.016 4.350 0.020 0.000 0.279 837 T C 0.167 174.845 174.700 -0.036 0.000 0.993 837 T CA -0.576 61.493 62.100 -0.052 0.000 0.970 837 T CB 1.727 70.554 68.868 -0.069 0.000 0.950 837 T HN 0.744 nan 8.240 nan 0.000 0.441 838 T N -0.613 113.931 114.554 -0.016 0.000 2.906 838 T HA 0.865 5.227 4.350 0.020 0.000 0.295 838 T C -1.157 173.449 174.700 -0.156 0.000 1.075 838 T CA -1.102 60.929 62.100 -0.113 0.000 1.005 838 T CB 2.016 70.797 68.868 -0.145 0.000 1.136 838 T HN 0.787 nan 8.240 nan 0.000 0.498 839 A N 1.655 124.300 122.820 -0.292 0.000 2.429 839 A HA 0.724 5.056 4.320 0.020 0.000 0.289 839 A C -1.240 176.150 177.584 -0.323 0.000 1.043 839 A CA -0.758 51.167 52.037 -0.186 0.000 0.722 839 A CB 0.682 19.645 19.000 -0.061 0.000 1.243 839 A HN 1.026 nan 8.150 nan 0.000 0.415 840 H N 0.345 119.465 119.070 0.083 0.000 2.747 840 H HA 0.774 5.342 4.556 0.020 0.000 0.371 840 H C 0.026 175.431 175.328 0.129 0.000 1.161 840 H CA -0.207 55.855 56.048 0.023 0.000 1.167 840 H CB 2.226 31.972 29.762 -0.025 0.000 1.732 840 H HN 0.978 nan 8.280 nan 0.000 0.544 841 A N 1.896 124.809 122.820 0.156 0.000 2.365 841 A HA 0.412 4.744 4.320 0.020 0.000 0.318 841 A C -1.563 176.040 177.584 0.032 0.000 1.091 841 A CA -0.656 51.489 52.037 0.179 0.000 0.763 841 A CB 1.278 20.354 19.000 0.127 0.000 1.248 841 A HN 0.653 nan 8.150 nan 0.000 0.442 842 W N 2.371 123.812 121.300 0.236 0.000 2.391 842 W HA 0.382 5.054 4.660 0.020 0.000 0.312 842 W C -0.697 175.891 176.519 0.115 0.000 1.003 842 W CA -0.184 57.307 57.345 0.244 0.000 1.375 842 W CB 1.647 31.372 29.460 0.443 0.000 1.253 842 W HN 0.844 nan 8.180 nan 0.000 0.416 843 Q N 1.388 121.341 119.800 0.255 0.000 2.241 843 Q HA 0.524 4.876 4.340 0.020 0.000 0.262 843 Q C -0.491 175.662 176.000 0.255 0.000 1.014 843 Q CA -0.539 55.377 55.803 0.190 0.000 0.885 843 Q CB 2.941 31.742 28.738 0.105 0.000 1.311 843 Q HN 0.291 nan 8.270 nan 0.000 0.461 844 H N 0.855 119.983 119.070 0.096 0.000 3.086 844 H HA 0.039 4.607 4.556 0.020 0.000 0.353 844 H C -0.791 174.579 175.328 0.070 0.000 1.134 844 H CA -0.225 55.883 56.048 0.101 0.000 1.248 844 H CB 1.232 31.070 29.762 0.127 0.000 1.878 844 H HN 0.616 nan 8.280 nan 0.000 0.527 845 Q N 2.522 122.039 119.800 -0.472 0.000 2.358 845 Q HA -0.210 4.142 4.340 0.020 0.000 0.318 845 Q C 1.113 177.077 176.000 -0.059 0.000 1.243 845 Q CA 1.629 57.281 55.803 -0.251 0.000 0.949 845 Q CB -1.925 26.677 28.738 -0.227 0.000 1.224 845 Q HN 1.096 nan 8.270 nan 0.000 0.473 846 G N -0.945 107.833 108.800 -0.037 0.000 2.157 846 G HA2 -0.364 3.608 3.960 0.020 0.000 0.248 846 G HA3 -0.364 3.608 3.960 0.020 0.000 0.248 846 G C 0.033 174.949 174.900 0.026 0.000 0.979 846 G CA 0.641 45.742 45.100 0.001 0.000 0.650 846 G HN 0.611 nan 8.290 nan 0.000 0.529 847 K N 0.265 120.693 120.400 0.047 0.000 2.203 847 K HA 0.692 5.024 4.320 0.020 0.000 0.251 847 K C -0.273 176.356 176.600 0.049 0.000 0.944 847 K CA -0.403 55.912 56.287 0.046 0.000 0.829 847 K CB 1.368 33.897 32.500 0.049 0.000 1.125 847 K HN -0.033 nan 8.250 nan 0.000 0.430 848 T N 4.789 119.360 114.554 0.029 0.000 2.727 848 T HA 0.173 4.535 4.350 0.020 0.000 0.295 848 T C 1.171 175.827 174.700 -0.074 0.000 0.915 848 T CA -0.523 61.591 62.100 0.023 0.000 1.066 848 T CB 0.319 69.214 68.868 0.045 0.000 0.891 848 T HN 0.514 nan 8.240 nan 0.000 0.516 849 L N 2.325 123.429 121.223 -0.198 0.000 2.034 849 L HA 0.246 4.598 4.340 0.020 0.000 0.203 849 L C 0.070 176.403 176.870 -0.895 0.000 1.074 849 L CA 1.260 55.704 54.840 -0.660 0.000 0.748 849 L CB -0.149 41.283 42.059 -1.044 0.000 0.905 849 L HN 0.529 nan 8.230 nan 0.000 0.439 850 F N -1.391 118.544 119.950 -0.025 0.000 2.613 850 F HA 0.575 5.114 4.527 0.020 0.000 0.314 850 F C -0.457 175.452 175.800 0.183 0.000 1.075 850 F CA -0.752 57.200 58.000 -0.079 0.000 0.945 850 F CB 1.855 40.516 39.000 -0.565 0.000 1.310 850 F HN -0.293 nan 8.300 nan 0.000 0.467 851 I N 1.455 122.261 120.570 0.394 0.000 2.447 851 I HA 0.335 4.517 4.170 0.020 0.000 0.287 851 I C -0.802 175.560 176.117 0.409 0.000 1.023 851 I CA -0.418 61.112 61.300 0.383 0.000 1.083 851 I CB 2.044 40.186 38.000 0.236 0.000 1.245 851 I HN 0.585 nan 8.210 nan 0.000 0.434 852 S N 7.240 123.257 115.700 0.528 0.000 2.456 852 S HA 0.588 5.070 4.470 0.020 0.000 0.316 852 S C -0.636 174.148 174.600 0.307 0.000 1.089 852 S CA -0.653 57.840 58.200 0.487 0.000 1.101 852 S CB 0.512 64.143 63.200 0.719 0.000 0.995 852 S HN 0.542 nan 8.310 nan 0.000 0.468 853 R N 3.800 124.415 120.500 0.192 0.000 2.439 853 R HA 0.530 4.882 4.340 0.020 0.000 0.310 853 R C -0.738 175.585 176.300 0.038 0.000 0.955 853 R CA -0.813 55.342 56.100 0.091 0.000 0.853 853 R CB 1.936 32.280 30.300 0.073 0.000 1.171 853 R HN 0.540 nan 8.270 nan 0.000 0.449 854 K N 0.806 121.204 120.400 -0.003 0.000 2.395 854 K HA 0.547 4.879 4.320 0.020 0.000 0.245 854 K C -0.584 175.952 176.600 -0.106 0.000 1.017 854 K CA -0.902 55.319 56.287 -0.109 0.000 0.852 854 K CB 2.523 34.926 32.500 -0.160 0.000 1.311 854 K HN 0.643 nan 8.250 nan 0.000 0.452 855 T N -1.336 113.080 114.554 -0.229 0.000 2.993 855 T HA 0.505 4.867 4.350 0.020 0.000 0.312 855 T C -1.595 172.936 174.700 -0.282 0.000 1.115 855 T CA -0.776 61.236 62.100 -0.147 0.000 1.027 855 T CB 0.439 69.254 68.868 -0.089 0.000 1.116 855 T HN 0.398 nan 8.240 nan 0.000 0.464 856 Y N 1.333 121.556 120.300 -0.128 0.000 2.326 856 Y HA 0.624 5.186 4.550 0.020 0.000 0.331 856 Y C 0.593 176.385 175.900 -0.180 0.000 0.962 856 Y CA -1.141 56.883 58.100 -0.125 0.000 1.167 856 Y CB 1.643 40.013 38.460 -0.150 0.000 1.148 856 Y HN 0.535 nan 8.280 nan 0.000 0.463 857 R N 4.064 124.557 120.500 -0.011 0.000 2.288 857 R HA 0.574 4.926 4.340 0.020 0.000 0.326 857 R C -1.532 174.700 176.300 -0.114 0.000 0.959 857 R CA -0.775 55.282 56.100 -0.072 0.000 0.834 857 R CB 0.650 30.920 30.300 -0.050 0.000 1.157 857 R HN 0.696 nan 8.270 nan 0.000 0.470 858 I N 4.377 124.828 120.570 -0.197 0.000 2.307 858 I HA 0.142 4.324 4.170 0.020 0.000 0.289 858 I C -0.147 175.868 176.117 -0.170 0.000 1.021 858 I CA -0.502 60.622 61.300 -0.294 0.000 1.224 858 I CB 1.294 38.907 38.000 -0.645 0.000 1.376 858 I HN 0.533 nan 8.210 nan 0.000 0.470 859 D N 3.738 124.072 120.400 -0.110 0.000 2.326 859 D HA 0.355 5.007 4.640 0.020 0.000 0.251 859 D C 1.355 177.646 176.300 -0.015 0.000 1.023 859 D CA -0.836 53.133 54.000 -0.051 0.000 0.966 859 D CB 1.085 41.867 40.800 -0.030 0.000 1.156 859 D HN 0.449 nan 8.370 nan 0.000 0.494 860 G N -0.613 108.188 108.800 0.002 0.000 2.499 860 G HA2 -0.286 3.686 3.960 0.020 0.000 0.221 860 G HA3 -0.286 3.686 3.960 0.020 0.000 0.221 860 G C 1.310 176.227 174.900 0.029 0.000 1.109 860 G CA 1.158 46.275 45.100 0.029 0.000 0.749 860 G HN 0.594 nan 8.290 nan 0.000 0.568 861 S N -0.436 115.267 115.700 0.005 0.000 2.515 861 S HA 0.302 4.784 4.470 0.020 0.000 0.231 861 S C 1.822 176.450 174.600 0.047 0.000 0.987 861 S CA 1.036 59.235 58.200 -0.002 0.000 0.936 861 S CB -0.282 62.910 63.200 -0.014 0.000 0.766 861 S HN 1.611 nan 8.310 nan 0.000 0.528 862 G N 0.480 109.325 108.800 0.074 0.000 2.171 862 G HA2 -0.205 3.767 3.960 0.020 0.000 0.238 862 G HA3 -0.205 3.767 3.960 0.020 0.000 0.238 862 G C -0.382 174.611 174.900 0.154 0.000 1.039 862 G CA 0.037 45.232 45.100 0.159 0.000 0.759 862 G HN 0.641 nan 8.290 nan 0.000 0.501 863 Q N -0.859 118.983 119.800 0.071 0.000 2.309 863 Q HA 0.680 5.032 4.340 0.020 0.000 0.264 863 Q C 0.127 176.142 176.000 0.025 0.000 1.008 863 Q CA -0.700 55.156 55.803 0.088 0.000 0.853 863 Q CB 2.002 30.788 28.738 0.079 0.000 1.314 863 Q HN 0.369 nan 8.270 nan 0.000 0.448 864 M N 2.221 121.875 119.600 0.089 0.000 2.055 864 M HA 0.497 4.989 4.480 0.020 0.000 0.347 864 M C -1.151 175.223 176.300 0.125 0.000 1.123 864 M CA -0.491 54.825 55.300 0.028 0.000 1.035 864 M CB 0.661 33.298 32.600 0.061 0.000 1.484 864 M HN 0.766 nan 8.290 nan 0.000 0.428 865 A N 6.959 129.816 122.820 0.060 0.000 2.320 865 A HA 0.638 4.970 4.320 0.020 0.000 0.287 865 A C -0.658 176.943 177.584 0.028 0.000 1.181 865 A CA -0.498 51.577 52.037 0.063 0.000 0.831 865 A CB 0.018 19.038 19.000 0.033 0.000 1.102 865 A HN 0.916 nan 8.150 nan 0.000 0.513 866 I N 2.126 122.703 120.570 0.012 0.000 2.406 866 I HA 0.402 4.584 4.170 0.020 0.000 0.290 866 I C -0.191 175.814 176.117 -0.186 0.000 0.999 866 I CA -0.225 60.994 61.300 -0.136 0.000 1.124 866 I CB 2.268 40.186 38.000 -0.137 0.000 1.289 866 I HN 0.490 nan 8.210 nan 0.000 0.441 867 T N 5.394 119.786 114.554 -0.270 0.000 2.841 867 T HA 0.543 4.905 4.350 0.020 0.000 0.285 867 T C -0.497 174.001 174.700 -0.337 0.000 0.991 867 T CA -0.491 61.459 62.100 -0.250 0.000 0.966 867 T CB 1.999 70.813 68.868 -0.091 0.000 0.962 867 T HN 0.217 nan 8.240 nan 0.000 0.438 868 V N 3.699 123.317 119.914 -0.493 0.000 2.444 868 V HA 0.480 4.612 4.120 0.020 0.000 0.294 868 V C -0.701 175.253 176.094 -0.233 0.000 1.022 868 V CA -0.874 61.150 62.300 -0.461 0.000 0.850 868 V CB 1.875 33.132 31.823 -0.944 0.000 0.992 868 V HN 0.860 nan 8.190 nan 0.000 0.426 869 D N 3.703 124.103 120.400 -0.000 0.000 2.481 869 D HA 0.521 5.173 4.640 0.020 0.000 0.246 869 D C -0.886 175.537 176.300 0.206 0.000 1.109 869 D CA -0.118 53.976 54.000 0.156 0.000 0.845 869 D CB 2.843 43.758 40.800 0.191 0.000 1.160 869 D HN 0.256 nan 8.370 nan 0.000 0.534 870 V N 2.131 122.217 119.914 0.286 0.000 2.769 870 V HA 0.359 4.491 4.120 0.020 0.000 0.312 870 V C 0.105 176.357 176.094 0.264 0.000 1.058 870 V CA -0.678 61.810 62.300 0.314 0.000 0.952 870 V CB 2.538 34.601 31.823 0.401 0.000 1.019 870 V HN 0.392 nan 8.190 nan 0.000 0.445 871 E N 1.675 122.018 120.200 0.238 0.000 2.222 871 E HA 0.647 5.009 4.350 0.020 0.000 0.267 871 E C -1.744 174.984 176.600 0.213 0.000 0.884 871 E CA -0.601 55.911 56.400 0.187 0.000 0.764 871 E CB 2.677 32.467 29.700 0.150 0.000 1.169 871 E HN 0.388 nan 8.360 nan 0.000 0.413 872 V N 1.920 121.950 119.914 0.194 0.000 2.447 872 V HA 0.349 4.481 4.120 0.020 0.000 0.292 872 V C 0.070 176.232 176.094 0.113 0.000 1.021 872 V CA -0.961 61.464 62.300 0.208 0.000 0.850 872 V CB 1.380 33.384 31.823 0.301 0.000 1.005 872 V HN 0.851 nan 8.190 nan 0.000 0.426 873 A N 3.574 126.408 122.820 0.023 0.000 2.587 873 A HA 0.258 4.590 4.320 0.020 0.000 0.235 873 A C 1.703 179.332 177.584 0.075 0.000 1.044 873 A CA 0.710 52.764 52.037 0.028 0.000 0.754 873 A CB 0.243 19.235 19.000 -0.013 0.000 0.968 873 A HN 1.413 nan 8.150 nan 0.000 0.509 874 S N 1.281 117.027 115.700 0.077 0.000 2.400 874 S HA -0.187 4.295 4.470 0.020 0.000 0.232 874 S C 0.993 175.654 174.600 0.102 0.000 1.025 874 S CA 1.425 59.689 58.200 0.107 0.000 0.993 874 S CB -0.400 62.846 63.200 0.078 0.000 0.808 874 S HN 0.845 nan 8.310 nan 0.000 0.478 875 D N 0.703 121.140 120.400 0.060 0.000 2.336 875 D HA 0.115 4.767 4.640 0.020 0.000 0.229 875 D C 0.610 176.931 176.300 0.035 0.000 1.061 875 D CA 0.182 54.204 54.000 0.037 0.000 0.875 875 D CB -0.534 40.279 40.800 0.022 0.000 0.904 875 D HN 0.370 nan 8.370 nan 0.000 0.525 876 T N 1.072 115.667 114.554 0.068 0.000 2.928 876 T HA 0.410 4.772 4.350 0.020 0.000 0.284 876 T C -2.600 172.192 174.700 0.153 0.000 1.008 876 T CA -2.008 60.154 62.100 0.104 0.000 1.057 876 T CB 1.235 70.168 68.868 0.108 0.000 1.018 876 T HN -0.160 nan 8.240 nan 0.000 0.493 877 P HA 0.123 nan 4.420 nan 0.000 0.269 877 P C -0.645 176.977 177.300 0.537 0.000 1.209 877 P CA 0.004 63.212 63.100 0.181 0.000 0.776 877 P CB -0.004 31.779 31.700 0.138 0.000 0.876 878 H N 3.124 122.558 119.070 0.606 0.000 3.070 878 H HA 0.077 4.645 4.556 0.020 0.000 0.313 878 H C -1.572 174.138 175.328 0.637 0.000 0.997 878 H CA -1.362 54.994 56.048 0.514 0.000 1.438 878 H CB -0.353 29.658 29.762 0.415 0.000 1.455 878 H HN 0.370 nan 8.280 nan 0.000 0.575 879 P HA -0.007 nan 4.420 nan 0.000 0.274 879 P C 0.159 177.369 177.300 -0.150 0.000 1.231 879 P CA -0.242 62.965 63.100 0.178 0.000 0.790 879 P CB 1.032 32.701 31.700 -0.052 0.000 0.951 880 A N 3.146 125.562 122.820 -0.675 0.000 1.969 880 A HA -0.096 4.236 4.320 0.020 0.000 0.218 880 A C 1.010 178.203 177.584 -0.651 0.000 1.169 880 A CA 1.352 52.951 52.037 -0.730 0.000 0.635 880 A CB -0.551 17.836 19.000 -1.021 0.000 0.810 880 A HN 0.755 nan 8.150 nan 0.000 0.445 881 R N -3.042 117.142 120.500 -0.527 0.000 2.728 881 R HA 0.726 5.078 4.340 0.020 0.000 0.274 881 R C -1.608 174.510 176.300 -0.303 0.000 1.030 881 R CA -0.775 55.054 56.100 -0.451 0.000 0.876 881 R CB 0.777 30.791 30.300 -0.477 0.000 1.259 881 R HN -0.017 nan 8.270 nan 0.000 0.468 882 I N 1.213 121.632 120.570 -0.252 0.000 2.542 882 I HA 0.617 4.799 4.170 0.020 0.000 0.278 882 I C -0.416 175.517 176.117 -0.306 0.000 1.069 882 I CA -0.296 60.902 61.300 -0.170 0.000 1.100 882 I CB 1.727 39.690 38.000 -0.061 0.000 1.204 882 I HN 0.971 nan 8.210 nan 0.000 0.470 883 G N 5.712 114.266 108.800 -0.409 0.000 2.793 883 G HA2 0.783 4.755 3.960 0.020 0.000 0.248 883 G HA3 0.783 4.755 3.960 0.020 0.000 0.248 883 G C -1.492 173.284 174.900 -0.207 0.000 1.198 883 G CA -0.469 44.418 45.100 -0.355 0.000 0.865 883 G HN 0.244 nan 8.290 nan 0.000 0.534 884 L N 0.655 121.788 121.223 -0.150 0.000 2.359 884 L HA 0.645 4.997 4.340 0.020 0.000 0.256 884 L C -1.086 175.706 176.870 -0.130 0.000 1.026 884 L CA -1.112 53.674 54.840 -0.089 0.000 0.828 884 L CB 2.688 44.764 42.059 0.030 0.000 1.406 884 L HN 0.825 nan 8.230 nan 0.000 0.413 885 N N 0.336 118.990 118.700 -0.077 0.000 2.598 885 N HA 0.629 5.381 4.740 0.020 0.000 0.263 885 N C -1.405 174.117 175.510 0.020 0.000 1.254 885 N CA -0.543 52.475 53.050 -0.053 0.000 0.863 885 N CB 2.223 40.684 38.487 -0.042 0.000 1.586 885 N HN 0.847 nan 8.380 nan 0.000 0.491 886 C N -0.868 118.449 119.300 0.028 0.000 3.311 886 C HA 0.628 5.100 4.460 0.020 0.000 0.325 886 C C -0.983 173.907 174.990 -0.166 0.000 1.352 886 C CA -0.805 58.211 59.018 -0.005 0.000 1.308 886 C CB 1.253 29.007 27.740 0.023 0.000 1.619 886 C HN 0.834 nan 8.230 nan 0.000 0.469 887 Q N 1.431 120.985 119.800 -0.408 0.000 2.372 887 Q HA 0.615 4.966 4.340 0.020 0.000 0.259 887 Q C -1.040 174.701 176.000 -0.431 0.000 0.993 887 Q CA -0.397 54.894 55.803 -0.854 0.000 0.854 887 Q CB 0.875 28.735 28.738 -1.464 0.000 1.231 887 Q HN 0.790 nan 8.270 nan 0.000 0.462 888 L N 2.457 123.492 121.223 -0.314 0.000 2.436 888 L HA 0.255 4.607 4.340 0.020 0.000 0.265 888 L C 1.188 177.977 176.870 -0.135 0.000 1.168 888 L CA -0.150 54.624 54.840 -0.110 0.000 0.815 888 L CB 0.820 42.910 42.059 0.051 0.000 1.109 888 L HN 0.820 nan 8.230 nan 0.000 0.462 889 A N 1.979 124.758 122.820 -0.068 0.000 1.970 889 A HA -0.094 4.238 4.320 0.020 0.000 0.216 889 A C 1.082 178.643 177.584 -0.040 0.000 1.170 889 A CA 0.583 52.571 52.037 -0.082 0.000 0.645 889 A CB -0.223 18.724 19.000 -0.088 0.000 0.816 889 A HN 0.808 nan 8.150 nan 0.000 0.447 890 Q N -0.262 119.551 119.800 0.023 0.000 2.368 890 Q HA 0.455 4.807 4.340 0.020 0.000 0.237 890 Q C -1.288 174.750 176.000 0.064 0.000 0.987 890 Q CA -0.037 55.783 55.803 0.028 0.000 0.896 890 Q CB 1.013 29.780 28.738 0.049 0.000 1.241 890 Q HN 0.137 nan 8.270 nan 0.000 0.485 891 V N 2.636 122.559 119.914 0.015 0.000 2.447 891 V HA 0.752 4.884 4.120 0.020 0.000 0.292 891 V C -0.745 175.327 176.094 -0.037 0.000 1.021 891 V CA -0.384 61.953 62.300 0.063 0.000 0.850 891 V CB 0.934 32.776 31.823 0.031 0.000 1.005 891 V HN 0.892 nan 8.190 nan 0.000 0.426 892 A N 3.200 125.959 122.820 -0.101 0.000 2.350 892 A HA 0.773 5.105 4.320 0.020 0.000 0.318 892 A C 0.776 178.381 177.584 0.035 0.000 1.132 892 A CA -0.509 51.419 52.037 -0.182 0.000 0.811 892 A CB 1.181 19.867 19.000 -0.524 0.000 1.313 892 A HN 0.720 nan 8.150 nan 0.000 0.454 893 E N 0.336 120.551 120.200 0.025 0.000 2.208 893 E HA -0.058 4.304 4.350 0.020 0.000 0.193 893 E C -0.018 176.658 176.600 0.126 0.000 0.988 893 E CA 0.816 57.259 56.400 0.072 0.000 0.828 893 E CB 0.078 29.801 29.700 0.039 0.000 0.763 893 E HN 0.453 nan 8.360 nan 0.000 0.478 894 R N 0.279 120.872 120.500 0.155 0.000 2.795 894 R HA 0.566 4.918 4.340 0.020 0.000 0.275 894 R C -0.648 175.844 176.300 0.320 0.000 0.981 894 R CA -0.807 55.414 56.100 0.202 0.000 0.917 894 R CB 2.097 32.484 30.300 0.146 0.000 1.202 894 R HN -0.198 nan 8.270 nan 0.000 0.469 895 V N 1.835 121.942 119.914 0.322 0.000 2.531 895 V HA 0.395 4.527 4.120 0.020 0.000 0.301 895 V C -0.320 176.055 176.094 0.467 0.000 1.034 895 V CA -0.905 61.618 62.300 0.371 0.000 0.865 895 V CB 1.920 33.891 31.823 0.247 0.000 0.995 895 V HN 0.676 nan 8.190 nan 0.000 0.424 896 N N 4.204 123.163 118.700 0.432 0.000 2.296 896 N HA 0.581 5.333 4.740 0.020 0.000 0.294 896 N C -1.445 174.348 175.510 0.471 0.000 1.033 896 N CA -0.388 52.895 53.050 0.389 0.000 0.839 896 N CB 2.885 41.489 38.487 0.194 0.000 1.395 896 N HN 0.834 nan 8.380 nan 0.000 0.479 897 W N 3.025 124.363 121.300 0.063 0.000 3.074 897 W HA 0.594 5.266 4.660 0.020 0.000 0.332 897 W C -2.136 174.346 176.519 -0.061 0.000 1.253 897 W CA -1.070 56.282 57.345 0.012 0.000 1.180 897 W CB 0.698 30.167 29.460 0.015 0.000 1.445 897 W HN 0.236 nan 8.180 nan 0.000 0.573 898 L N 3.538 124.709 121.223 -0.087 0.000 2.316 898 L HA 0.934 5.286 4.340 0.020 0.000 0.280 898 L C -0.026 176.638 176.870 -0.343 0.000 1.006 898 L CA 0.476 55.073 54.840 -0.405 0.000 0.836 898 L CB 0.988 42.897 42.059 -0.250 0.000 1.221 898 L HN 1.105 nan 8.230 nan 0.000 0.418 899 G N 3.737 112.113 108.800 -0.705 0.000 2.452 899 G HA2 0.178 4.150 3.960 0.020 0.000 0.224 899 G HA3 0.178 4.150 3.960 0.020 0.000 0.224 899 G C -1.586 173.282 174.900 -0.053 0.000 1.208 899 G CA -0.903 43.983 45.100 -0.358 0.000 0.946 899 G HN 0.506 nan 8.290 nan 0.000 0.481 900 L N 1.252 122.657 121.223 0.302 0.000 2.331 900 L HA 0.658 5.010 4.340 0.020 0.000 0.278 900 L C 0.997 178.003 176.870 0.228 0.000 1.106 900 L CA 0.521 55.520 54.840 0.264 0.000 0.824 900 L CB 0.631 42.782 42.059 0.152 0.000 1.142 900 L HN 1.209 nan 8.230 nan 0.000 0.443 901 G N 2.628 111.338 108.800 -0.150 0.000 2.427 901 G HA2 0.318 4.290 3.960 0.020 0.000 0.306 901 G HA3 0.318 4.290 3.960 0.020 0.000 0.306 901 G C -2.788 171.220 174.900 -1.487 0.000 1.280 901 G CA -0.320 44.307 45.100 -0.788 0.000 0.837 901 G HN 0.287 nan 8.290 nan 0.000 0.482 902 P HA 0.083 nan 4.420 nan 0.000 0.226 902 P C 0.498 177.611 177.300 -0.311 0.000 1.161 902 P CA 0.675 63.162 63.100 -1.021 0.000 0.804 902 P CB 0.430 31.662 31.700 -0.779 0.000 0.829 903 Q N 0.443 120.055 119.800 -0.313 0.000 2.318 903 Q HA 0.166 4.518 4.340 0.020 0.000 0.222 903 Q C 0.375 176.269 176.000 -0.176 0.000 1.003 903 Q CA -0.703 54.990 55.803 -0.184 0.000 0.936 903 Q CB 0.634 29.283 28.738 -0.148 0.000 1.204 903 Q HN 0.126 nan 8.270 nan 0.000 0.524 904 E N 1.334 121.439 120.200 -0.158 0.000 2.608 904 E HA -0.123 4.239 4.350 0.020 0.000 0.259 904 E C -1.140 175.395 176.600 -0.108 0.000 0.951 904 E CA 0.293 56.594 56.400 -0.165 0.000 0.945 904 E CB 0.220 29.884 29.700 -0.060 0.000 0.916 904 E HN 0.599 nan 8.360 nan 0.000 0.477 905 N N 2.749 121.320 118.700 -0.214 0.000 2.367 905 N HA 0.314 5.066 4.740 0.020 0.000 0.278 905 N C -1.899 173.430 175.510 -0.302 0.000 1.117 905 N CA -0.678 52.301 53.050 -0.119 0.000 0.867 905 N CB 0.709 39.134 38.487 -0.104 0.000 1.649 905 N HN 0.250 nan 8.380 nan 0.000 0.479 906 Y N 0.008 120.231 120.300 -0.129 0.000 2.630 906 Y HA 0.516 5.078 4.550 0.020 0.000 0.337 906 Y C -1.607 174.236 175.900 -0.094 0.000 1.051 906 Y CA -2.065 55.955 58.100 -0.133 0.000 1.121 906 Y CB 1.710 40.090 38.460 -0.134 0.000 1.299 906 Y HN 0.434 nan 8.280 nan 0.000 0.498 907 P HA -0.195 nan 4.420 nan 0.000 0.216 907 P C 0.490 177.640 177.300 -0.249 0.000 1.154 907 P CA 2.219 65.352 63.100 0.055 0.000 0.865 907 P CB 0.194 32.048 31.700 0.256 0.000 0.789 908 D N -2.269 117.808 120.400 -0.538 0.000 2.339 908 D HA -0.019 4.633 4.640 0.020 0.000 0.217 908 D C 0.791 176.950 176.300 -0.236 0.000 1.050 908 D CA 0.178 53.692 54.000 -0.811 0.000 0.856 908 D CB -0.222 39.958 40.800 -1.032 0.000 0.922 908 D HN 0.146 nan 8.370 nan 0.000 0.518 909 R N 0.990 121.444 120.500 -0.076 0.000 2.684 909 R HA 0.191 4.543 4.340 0.020 0.000 0.252 909 R C -0.625 175.711 176.300 0.060 0.000 1.628 909 R CA -0.194 55.923 56.100 0.029 0.000 1.622 909 R CB 0.123 30.447 30.300 0.041 0.000 1.418 909 R HN 0.099 nan 8.270 nan 0.000 0.697 910 L N -1.152 120.111 121.223 0.066 0.000 3.520 910 L HA 0.318 4.670 4.340 0.020 0.000 0.323 910 L C 1.222 178.157 176.870 0.108 0.000 1.246 910 L CA 0.259 55.141 54.840 0.069 0.000 1.085 910 L CB -0.027 42.059 42.059 0.046 0.000 1.477 910 L HN 0.126 nan 8.230 nan 0.000 0.624 911 T N -2.583 112.062 114.554 0.151 0.000 2.867 911 T HA 0.026 4.388 4.350 0.020 0.000 0.268 911 T C 1.723 176.519 174.700 0.159 0.000 1.057 911 T CA 1.329 63.551 62.100 0.203 0.000 1.136 911 T CB -0.356 68.674 68.868 0.270 0.000 0.874 911 T HN 0.404 nan 8.240 nan 0.000 0.466 912 A N 1.404 124.319 122.820 0.158 0.000 2.167 912 A HA 0.680 5.012 4.320 0.020 0.000 0.214 912 A C 1.558 179.227 177.584 0.141 0.000 1.151 912 A CA 0.408 52.467 52.037 0.037 0.000 0.735 912 A CB -0.839 18.318 19.000 0.261 0.000 0.802 912 A HN 0.826 nan 8.150 nan 0.000 0.467 913 A N -1.083 121.777 122.820 0.067 0.000 2.351 913 A HA 0.467 4.799 4.320 0.020 0.000 0.257 913 A C -0.013 177.607 177.584 0.060 0.000 1.087 913 A CA -0.091 51.943 52.037 -0.004 0.000 0.798 913 A CB -0.034 18.952 19.000 -0.022 0.000 1.033 913 A HN 0.461 nan 8.150 nan 0.000 0.488 914 C N 0.418 119.753 119.300 0.058 0.000 2.561 914 C HA 0.566 5.038 4.460 0.020 0.000 0.319 914 C C -0.223 174.943 174.990 0.294 0.000 1.198 914 C CA -0.481 58.644 59.018 0.178 0.000 1.665 914 C CB 0.781 28.645 27.740 0.207 0.000 2.258 914 C HN 0.779 nan 8.230 nan 0.000 0.493 915 F N 3.598 123.456 119.950 -0.152 0.000 2.424 915 F HA 0.522 5.061 4.527 0.020 0.000 0.356 915 F C 0.356 175.858 175.800 -0.495 0.000 1.110 915 F CA 1.102 58.885 58.000 -0.362 0.000 1.161 915 F CB 0.085 38.488 39.000 -0.996 0.000 1.115 915 F HN 0.656 nan 8.300 nan 0.000 0.507 916 D N 3.132 122.865 120.400 -1.113 0.000 3.213 916 D HA 0.170 4.822 4.640 0.020 0.000 0.357 916 D C -1.659 173.761 176.300 -1.467 0.000 1.446 916 D CA -0.679 52.602 54.000 -1.198 0.000 0.893 916 D CB 1.311 41.336 40.800 -1.291 0.000 1.466 916 D HN 0.544 nan 8.370 nan 0.000 0.541 917 R N 0.655 120.374 120.500 -1.302 0.000 2.310 917 R HA 0.572 4.924 4.340 0.020 0.000 0.324 917 R C -1.419 174.200 176.300 -1.135 0.000 0.955 917 R CA -0.447 55.042 56.100 -1.017 0.000 0.830 917 R CB 0.490 30.455 30.300 -0.558 0.000 1.154 917 R HN 0.283 nan 8.270 nan 0.000 0.458 918 W N 2.432 123.203 121.300 -0.880 0.000 2.639 918 W HA 0.453 5.125 4.660 0.020 0.000 0.347 918 W C -0.473 175.686 176.519 -0.600 0.000 1.067 918 W CA -0.677 56.120 57.345 -0.914 0.000 1.218 918 W CB 1.639 30.154 29.460 -1.576 0.000 1.393 918 W HN 0.368 nan 8.180 nan 0.000 0.557 919 D N 2.332 122.711 120.400 -0.034 0.000 2.763 919 D HA 0.462 5.114 4.640 0.020 0.000 0.235 919 D C -1.507 174.901 176.300 0.181 0.000 1.334 919 D CA -0.171 53.901 54.000 0.119 0.000 0.950 919 D CB 1.120 41.954 40.800 0.057 0.000 1.433 919 D HN 0.391 nan 8.370 nan 0.000 0.580 920 L N 2.937 124.332 121.223 0.285 0.000 2.359 920 L HA 0.559 4.911 4.340 0.020 0.000 0.256 920 L C -2.340 174.647 176.870 0.195 0.000 1.026 920 L CA -2.181 52.793 54.840 0.222 0.000 0.828 920 L CB 2.705 44.927 42.059 0.272 0.000 1.406 920 L HN 0.158 nan 8.230 nan 0.000 0.413 921 P HA 0.007 nan 4.420 nan 0.000 0.268 921 P C 0.618 177.992 177.300 0.125 0.000 1.205 921 P CA -0.321 62.851 63.100 0.119 0.000 0.771 921 P CB 0.821 32.572 31.700 0.085 0.000 0.858 922 L N 3.999 125.302 121.223 0.133 0.000 2.103 922 L HA -0.293 4.059 4.340 0.020 0.000 0.215 922 L C 2.206 179.120 176.870 0.073 0.000 1.080 922 L CA 2.786 57.692 54.840 0.110 0.000 0.764 922 L CB -1.563 40.567 42.059 0.118 0.000 0.890 922 L HN 0.475 nan 8.230 nan 0.000 0.435 923 S N -2.061 113.688 115.700 0.081 0.000 2.406 923 S HA -0.141 4.341 4.470 0.020 0.000 0.228 923 S C 1.634 176.298 174.600 0.106 0.000 1.020 923 S CA 0.876 59.137 58.200 0.103 0.000 0.965 923 S CB -0.699 62.558 63.200 0.095 0.000 0.798 923 S HN 0.514 nan 8.310 nan 0.000 0.488 924 D N 1.625 122.066 120.400 0.069 0.000 2.309 924 D HA 0.007 4.659 4.640 0.020 0.000 0.212 924 D C 1.258 177.557 176.300 -0.002 0.000 0.968 924 D CA 0.752 54.771 54.000 0.032 0.000 0.882 924 D CB -0.219 40.610 40.800 0.048 0.000 0.918 924 D HN 0.409 nan 8.370 nan 0.000 0.503 925 M N -0.453 119.156 119.600 0.014 0.000 2.563 925 M HA 0.061 4.553 4.480 0.020 0.000 0.231 925 M C -0.098 176.208 176.300 0.010 0.000 1.136 925 M CA -0.021 55.248 55.300 -0.052 0.000 1.026 925 M CB -0.938 31.617 32.600 -0.076 0.000 1.597 925 M HN -0.039 nan 8.290 nan 0.000 0.495 926 Y N -0.153 120.104 120.300 -0.071 0.000 2.373 926 Y HA 0.491 5.053 4.550 0.020 0.000 0.336 926 Y C -0.867 174.982 175.900 -0.085 0.000 0.979 926 Y CA -1.123 56.954 58.100 -0.038 0.000 1.080 926 Y CB 1.255 39.749 38.460 0.057 0.000 1.190 926 Y HN -0.101 nan 8.280 nan 0.000 0.446 927 T N 9.017 123.065 114.554 -0.843 0.000 2.771 927 T HA 0.296 4.658 4.350 0.020 0.000 0.291 927 T C -2.626 171.219 174.700 -1.425 0.000 0.954 927 T CA -1.415 60.098 62.100 -0.979 0.000 1.045 927 T CB 1.102 69.470 68.868 -0.832 0.000 0.917 927 T HN 0.472 nan 8.240 nan 0.000 0.484 928 P HA 0.181 nan 4.420 nan 0.000 0.212 928 P C -0.750 176.372 177.300 -0.296 0.000 1.816 928 P CA -0.485 62.169 63.100 -0.743 0.000 0.944 928 P CB -0.533 30.890 31.700 -0.461 0.000 1.896 929 Y N -0.520 119.724 120.300 -0.094 0.000 2.597 929 Y HA -0.080 4.482 4.550 0.020 0.000 0.336 929 Y C 2.317 178.278 175.900 0.102 0.000 1.216 929 Y CA -0.496 57.639 58.100 0.059 0.000 1.463 929 Y CB 0.445 38.862 38.460 -0.072 0.000 1.303 929 Y HN -0.127 nan 8.280 nan 0.000 0.576 930 V N 2.454 122.593 119.914 0.375 0.000 2.282 930 V HA -0.323 3.809 4.120 0.020 0.000 0.249 930 V C 0.691 176.925 176.094 0.234 0.000 1.057 930 V CA 1.497 63.978 62.300 0.301 0.000 1.032 930 V CB -0.618 31.416 31.823 0.352 0.000 0.645 930 V HN 0.634 nan 8.190 nan 0.000 0.447 931 F N 3.578 123.560 119.950 0.053 0.000 2.377 931 F HA 0.460 4.999 4.527 0.020 0.000 0.360 931 F C -2.301 173.504 175.800 0.008 0.000 1.147 931 F CA -3.378 54.602 58.000 -0.033 0.000 1.170 931 F CB 0.276 39.171 39.000 -0.175 0.000 1.339 931 F HN 0.032 nan 8.300 nan 0.000 0.552 932 P HA 0.200 nan 4.420 nan 0.000 0.269 932 P C -0.917 176.003 177.300 -0.634 0.000 1.209 932 P CA 0.155 63.002 63.100 -0.423 0.000 0.776 932 P CB 1.164 32.656 31.700 -0.348 0.000 0.876 933 S N -0.198 115.372 115.700 -0.217 0.000 2.703 933 S HA 0.425 4.907 4.470 0.020 0.000 0.273 933 S C -0.843 173.759 174.600 0.004 0.000 1.178 933 S CA -0.987 57.151 58.200 -0.103 0.000 0.838 933 S CB 0.426 63.632 63.200 0.009 0.000 1.178 933 S HN 0.341 nan 8.310 nan 0.000 0.494 934 E N 1.219 121.437 120.200 0.031 0.000 2.529 934 E HA 0.354 4.716 4.350 0.020 0.000 0.259 934 E C -0.185 176.480 176.600 0.109 0.000 0.966 934 E CA 0.791 57.233 56.400 0.071 0.000 0.937 934 E CB -0.280 29.490 29.700 0.117 0.000 0.923 934 E HN 0.786 nan 8.360 nan 0.000 0.468 935 N N 1.566 120.352 118.700 0.144 0.000 3.046 935 N HA 0.484 5.236 4.740 0.020 0.000 0.243 935 N C 0.181 175.741 175.510 0.083 0.000 1.452 935 N CA -0.563 52.601 53.050 0.190 0.000 0.882 935 N CB 0.873 39.455 38.487 0.159 0.000 1.425 935 N HN 0.718 nan 8.380 nan 0.000 0.517 936 G N -1.232 107.587 108.800 0.031 0.000 2.168 936 G HA2 -0.276 3.696 3.960 0.020 0.000 0.263 936 G HA3 -0.276 3.696 3.960 0.020 0.000 0.263 936 G C -0.193 174.475 174.900 -0.387 0.000 0.977 936 G CA 0.527 45.535 45.100 -0.154 0.000 0.659 936 G HN 0.699 nan 8.290 nan 0.000 0.533 937 L N -0.304 120.607 121.223 -0.519 0.000 2.482 937 L HA 0.703 5.055 4.340 0.020 0.000 0.273 937 L C 0.674 176.977 176.870 -0.945 0.000 1.228 937 L CA 0.248 54.533 54.840 -0.926 0.000 0.827 937 L CB 0.579 41.811 42.059 -1.378 0.000 1.099 937 L HN 0.231 nan 8.230 nan 0.000 0.494 938 R N 1.933 121.800 120.500 -1.056 0.000 2.538 938 R HA 0.463 4.815 4.340 0.020 0.000 0.292 938 R C -1.137 174.839 176.300 -0.539 0.000 1.008 938 R CA -0.291 55.319 56.100 -0.817 0.000 0.896 938 R CB 1.418 31.069 30.300 -1.082 0.000 1.187 938 R HN 0.667 nan 8.270 nan 0.000 0.440 939 C N 0.392 119.522 119.300 -0.284 0.000 2.352 939 C HA 0.696 5.168 4.460 0.020 0.000 0.387 939 C C 1.254 176.245 174.990 0.001 0.000 1.294 939 C CA 0.021 58.955 59.018 -0.140 0.000 2.137 939 C CB 1.320 29.007 27.740 -0.089 0.000 2.146 939 C HN 1.029 nan 8.230 nan 0.000 0.559 940 G N 2.020 110.833 108.800 0.022 0.000 2.421 940 G HA2 -0.186 3.786 3.960 0.020 0.000 0.300 940 G HA3 -0.186 3.786 3.960 0.020 0.000 0.300 940 G C -0.038 174.945 174.900 0.139 0.000 0.974 940 G CA 0.626 45.784 45.100 0.097 0.000 1.062 940 G HN 0.796 nan 8.290 nan 0.000 0.514 941 T N 0.105 114.621 114.554 -0.064 0.000 2.767 941 T HA 0.486 4.848 4.350 0.020 0.000 0.288 941 T C 1.367 175.829 174.700 -0.396 0.000 0.963 941 T CA -0.666 61.360 62.100 -0.123 0.000 1.019 941 T CB 1.346 70.160 68.868 -0.091 0.000 0.923 941 T HN 0.232 nan 8.240 nan 0.000 0.468 942 R N 1.625 122.093 120.500 -0.054 0.000 2.237 942 R HA 0.231 4.583 4.340 0.020 0.000 0.195 942 R C 0.627 176.944 176.300 0.029 0.000 0.956 942 R CA 0.269 56.368 56.100 -0.002 0.000 1.029 942 R CB 0.247 30.671 30.300 0.208 0.000 0.972 942 R HN 0.752 nan 8.270 nan 0.000 0.493 943 E N 0.582 120.809 120.200 0.045 0.000 2.304 943 E HA 0.300 4.662 4.350 0.020 0.000 0.277 943 E C -1.728 175.002 176.600 0.216 0.000 0.898 943 E CA -0.718 55.785 56.400 0.171 0.000 0.764 943 E CB 1.544 31.330 29.700 0.143 0.000 1.216 943 E HN -0.080 nan 8.360 nan 0.000 0.419 944 L N 4.042 125.464 121.223 0.331 0.000 2.362 944 L HA 0.589 4.941 4.340 0.020 0.000 0.275 944 L C -1.719 175.343 176.870 0.320 0.000 0.998 944 L CA -0.415 54.559 54.840 0.223 0.000 0.820 944 L CB 1.667 43.718 42.059 -0.014 0.000 1.270 944 L HN 0.509 nan 8.230 nan 0.000 0.415 945 N N 4.643 123.506 118.700 0.273 0.000 2.372 945 N HA 0.415 5.167 4.740 0.020 0.000 0.285 945 N C -1.928 173.827 175.510 0.408 0.000 1.008 945 N CA -0.222 53.010 53.050 0.302 0.000 0.880 945 N CB 2.016 40.625 38.487 0.203 0.000 1.239 945 N HN 0.622 nan 8.380 nan 0.000 0.484 946 Y N 0.988 121.452 120.300 0.273 0.000 2.313 946 Y HA 0.382 4.944 4.550 0.020 0.000 0.320 946 Y C 0.578 176.634 175.900 0.261 0.000 1.171 946 Y CA 0.218 58.475 58.100 0.262 0.000 1.093 946 Y CB 0.606 39.238 38.460 0.287 0.000 1.224 946 Y HN 0.835 nan 8.280 nan 0.000 0.421 947 G N 6.172 114.795 108.800 -0.295 0.000 2.556 947 G HA2 -0.286 3.686 3.960 0.020 0.000 0.283 947 G HA3 -0.286 3.686 3.960 0.020 0.000 0.283 947 G C -1.883 172.925 174.900 -0.155 0.000 1.177 947 G CA 0.065 44.995 45.100 -0.283 0.000 0.978 947 G HN 0.613 nan 8.290 nan 0.000 0.554 948 P HA 0.202 nan 4.420 nan 0.000 0.257 948 P C 0.096 177.245 177.300 -0.252 0.000 1.281 948 P CA 0.398 63.349 63.100 -0.248 0.000 0.826 948 P CB 0.008 31.520 31.700 -0.313 0.000 1.237 949 H N 0.528 119.594 119.070 -0.008 0.000 2.481 949 H HA 0.465 5.033 4.556 0.020 0.000 0.339 949 H C -0.123 175.045 175.328 -0.266 0.000 1.131 949 H CA 0.161 56.142 56.048 -0.111 0.000 1.301 949 H CB 1.535 31.165 29.762 -0.220 0.000 1.476 949 H HN 0.095 nan 8.280 nan 0.000 0.529 950 Q N 2.336 121.969 119.800 -0.278 0.000 2.271 950 Q HA 0.221 4.573 4.340 0.020 0.000 0.268 950 Q C -1.449 174.340 176.000 -0.350 0.000 1.021 950 Q CA -0.620 55.076 55.803 -0.178 0.000 0.802 950 Q CB 2.071 30.834 28.738 0.041 0.000 1.282 950 Q HN 0.589 nan 8.270 nan 0.000 0.431 951 W N 3.576 124.855 121.300 -0.034 0.000 2.632 951 W HA 0.614 5.286 4.660 0.020 0.000 0.328 951 W C -0.168 176.483 176.519 0.219 0.000 1.044 951 W CA -0.842 56.466 57.345 -0.061 0.000 1.225 951 W CB 1.836 31.046 29.460 -0.418 0.000 1.396 951 W HN 0.417 nan 8.180 nan 0.000 0.499 952 R N 0.797 121.590 120.500 0.488 0.000 2.686 952 R HA 0.742 5.094 4.340 0.020 0.000 0.283 952 R C 0.112 176.697 176.300 0.475 0.000 0.978 952 R CA -0.488 55.880 56.100 0.446 0.000 0.897 952 R CB 2.387 32.846 30.300 0.265 0.000 1.192 952 R HN 0.783 nan 8.270 nan 0.000 0.457 953 G N 0.915 109.969 108.800 0.424 0.000 2.564 953 G HA2 0.004 3.976 3.960 0.020 0.000 0.139 953 G HA3 0.004 3.976 3.960 0.020 0.000 0.139 953 G C -1.785 173.229 174.900 0.190 0.000 1.147 953 G CA -0.390 44.920 45.100 0.349 0.000 1.031 953 G HN 0.473 nan 8.290 nan 0.000 0.482 954 D N 0.202 120.724 120.400 0.203 0.000 2.346 954 D HA 0.626 5.278 4.640 0.020 0.000 0.255 954 D C -0.711 175.608 176.300 0.032 0.000 1.276 954 D CA -0.466 53.555 54.000 0.036 0.000 0.941 954 D CB 0.337 41.182 40.800 0.075 0.000 1.199 954 D HN 0.561 nan 8.370 nan 0.000 0.537 955 F N -0.029 119.925 119.950 0.006 0.000 2.754 955 F HA 0.692 5.231 4.527 0.020 0.000 0.320 955 F C -1.363 174.408 175.800 -0.049 0.000 1.156 955 F CA -1.035 56.909 58.000 -0.093 0.000 0.950 955 F CB 0.707 39.645 39.000 -0.104 0.000 1.388 955 F HN -0.120 nan 8.300 nan 0.000 0.485 956 Q N 1.585 121.482 119.800 0.163 0.000 2.348 956 Q HA 0.684 5.036 4.340 0.020 0.000 0.271 956 Q C -1.312 174.744 176.000 0.093 0.000 1.067 956 Q CA -0.513 55.291 55.803 0.002 0.000 0.839 956 Q CB 2.744 31.362 28.738 -0.200 0.000 1.354 956 Q HN 0.885 nan 8.270 nan 0.000 0.447 957 F N -1.209 118.622 119.950 -0.198 0.000 2.713 957 F HA 0.743 5.282 4.527 0.020 0.000 0.311 957 F C -1.664 173.912 175.800 -0.372 0.000 1.141 957 F CA -1.090 56.747 58.000 -0.272 0.000 0.939 957 F CB 1.483 40.333 39.000 -0.250 0.000 1.325 957 F HN 0.563 nan 8.300 nan 0.000 0.453 958 N N 1.567 120.050 118.700 -0.361 0.000 2.284 958 N HA 0.734 5.486 4.740 0.020 0.000 0.289 958 N C -2.048 173.408 175.510 -0.091 0.000 1.179 958 N CA -0.769 52.082 53.050 -0.332 0.000 0.774 958 N CB 2.649 40.965 38.487 -0.285 0.000 1.548 958 N HN 1.139 nan 8.380 nan 0.000 0.473 959 I N 0.390 120.902 120.570 -0.097 0.000 2.627 959 I HA 0.651 4.833 4.170 0.020 0.000 0.288 959 I C -1.406 174.641 176.117 -0.116 0.000 1.202 959 I CA 0.071 61.284 61.300 -0.144 0.000 1.050 959 I CB 1.128 38.962 38.000 -0.276 0.000 1.264 959 I HN 1.028 nan 8.210 nan 0.000 0.429 960 S N 6.202 121.859 115.700 -0.072 0.000 2.703 960 S HA 0.545 5.027 4.470 0.020 0.000 0.273 960 S C -0.073 174.466 174.600 -0.102 0.000 1.178 960 S CA -1.000 57.152 58.200 -0.081 0.000 0.838 960 S CB 1.639 64.845 63.200 0.010 0.000 1.178 960 S HN 0.610 nan 8.310 nan 0.000 0.494 961 R N -0.370 119.898 120.500 -0.387 0.000 2.317 961 R HA 0.260 4.612 4.340 0.020 0.000 0.208 961 R C -0.794 175.315 176.300 -0.318 0.000 0.914 961 R CA 0.299 56.161 56.100 -0.397 0.000 1.060 961 R CB -0.782 29.156 30.300 -0.603 0.000 1.015 961 R HN 0.659 nan 8.270 nan 0.000 0.498 962 Y N 0.760 121.087 120.300 0.045 0.000 2.335 962 Y HA 0.191 4.753 4.550 0.020 0.000 0.338 962 Y C 0.854 176.455 175.900 -0.499 0.000 0.977 962 Y CA -1.074 56.920 58.100 -0.175 0.000 1.114 962 Y CB 1.376 39.689 38.460 -0.245 0.000 1.182 962 Y HN -0.086 nan 8.280 nan 0.000 0.463 963 S N 1.635 116.800 115.700 -0.892 0.000 2.600 963 S HA 0.026 4.508 4.470 0.020 0.000 0.265 963 S C 0.912 175.108 174.600 -0.673 0.000 1.325 963 S CA -0.765 56.500 58.200 -1.558 0.000 1.002 963 S CB 1.091 63.360 63.200 -1.552 0.000 0.921 963 S HN 0.724 nan 8.310 nan 0.000 0.554 964 Q N 0.529 119.997 119.800 -0.553 0.000 2.170 964 Q HA -0.182 4.170 4.340 0.020 0.000 0.203 964 Q C 2.221 178.085 176.000 -0.226 0.000 0.976 964 Q CA 1.664 57.303 55.803 -0.274 0.000 0.858 964 Q CB -0.488 28.138 28.738 -0.187 0.000 0.907 964 Q HN 0.951 nan 8.270 nan 0.000 0.433 965 Q N 0.759 120.388 119.800 -0.284 0.000 2.020 965 Q HA -0.234 4.118 4.340 0.020 0.000 0.202 965 Q C 2.132 178.020 176.000 -0.186 0.000 0.982 965 Q CA 1.697 57.385 55.803 -0.191 0.000 0.838 965 Q CB -0.043 28.587 28.738 -0.180 0.000 0.899 965 Q HN 0.424 nan 8.270 nan 0.000 0.423 966 Q N 0.137 119.794 119.800 -0.239 0.000 2.061 966 Q HA -0.199 4.153 4.340 0.020 0.000 0.204 966 Q C 2.288 178.151 176.000 -0.228 0.000 0.984 966 Q CA 1.644 57.317 55.803 -0.216 0.000 0.846 966 Q CB -0.188 28.410 28.738 -0.233 0.000 0.902 966 Q HN 0.502 nan 8.270 nan 0.000 0.421 967 L N 0.506 121.588 121.223 -0.235 0.000 1.990 967 L HA -0.241 4.111 4.340 0.020 0.000 0.213 967 L C 2.778 179.505 176.870 -0.238 0.000 1.072 967 L CA 1.883 56.578 54.840 -0.242 0.000 0.755 967 L CB -0.522 41.428 42.059 -0.181 0.000 0.889 967 L HN 0.519 nan 8.230 nan 0.000 0.432 968 M N -1.585 117.913 119.600 -0.170 0.000 2.630 968 M HA -0.088 4.404 4.480 0.020 0.000 0.254 968 M C 1.278 177.504 176.300 -0.124 0.000 1.092 968 M CA 1.525 56.745 55.300 -0.132 0.000 1.087 968 M CB -0.185 32.371 32.600 -0.073 0.000 1.453 968 M HN 0.120 nan 8.290 nan 0.000 0.509 969 E N 0.731 120.849 120.200 -0.138 0.000 2.481 969 E HA 0.140 4.502 4.350 0.020 0.000 0.198 969 E C -0.509 176.029 176.600 -0.104 0.000 1.027 969 E CA 0.069 56.408 56.400 -0.101 0.000 0.900 969 E CB 0.730 30.377 29.700 -0.087 0.000 0.993 969 E HN 0.435 nan 8.360 nan 0.000 0.482 970 T N -0.886 113.571 114.554 -0.162 0.000 2.887 970 T HA 0.193 4.555 4.350 0.020 0.000 0.288 970 T C 0.711 175.301 174.700 -0.184 0.000 1.021 970 T CA -0.627 61.376 62.100 -0.161 0.000 1.000 970 T CB 1.794 70.526 68.868 -0.226 0.000 1.034 970 T HN -0.015 nan 8.240 nan 0.000 0.467 971 S N 0.219 115.898 115.700 -0.035 0.000 2.554 971 S HA 0.221 4.703 4.470 0.020 0.000 0.227 971 S C 0.088 174.777 174.600 0.149 0.000 1.050 971 S CA -0.081 58.185 58.200 0.110 0.000 0.927 971 S CB -0.140 63.254 63.200 0.323 0.000 0.859 971 S HN 0.690 nan 8.310 nan 0.000 0.494 972 H N 1.530 120.596 119.070 -0.007 0.000 2.538 972 H HA 0.530 5.098 4.556 0.020 0.000 0.353 972 H C 1.170 176.443 175.328 -0.092 0.000 1.109 972 H CA -0.746 55.339 56.048 0.062 0.000 1.192 972 H CB 1.575 31.311 29.762 -0.044 0.000 1.555 972 H HN 0.181 nan 8.280 nan 0.000 0.518 973 R N 1.690 122.271 120.500 0.135 0.000 2.152 973 R HA -0.178 4.174 4.340 0.020 0.000 0.232 973 R C 0.796 177.077 176.300 -0.033 0.000 1.117 973 R CA 2.065 58.178 56.100 0.023 0.000 0.981 973 R CB -0.578 29.781 30.300 0.099 0.000 0.870 973 R HN 0.819 nan 8.270 nan 0.000 0.451 974 H N -0.006 119.109 119.070 0.076 0.000 2.563 974 H HA 0.133 4.701 4.556 0.020 0.000 0.272 974 H C 1.204 176.484 175.328 -0.081 0.000 1.005 974 H CA 0.625 56.678 56.048 0.008 0.000 1.171 974 H CB -0.016 29.781 29.762 0.058 0.000 1.351 974 H HN 0.233 nan 8.280 nan 0.000 0.602 975 L N 0.665 121.523 121.223 -0.608 0.000 2.700 975 L HA 0.270 4.622 4.340 0.020 0.000 0.234 975 L C -0.038 176.687 176.870 -0.242 0.000 1.156 975 L CA -0.269 54.326 54.840 -0.410 0.000 0.946 975 L CB 0.219 42.003 42.059 -0.459 0.000 1.216 975 L HN 0.219 nan 8.230 nan 0.000 0.493 976 L N 1.125 122.191 121.223 -0.261 0.000 2.417 976 L HA 0.230 4.582 4.340 0.020 0.000 0.268 976 L C 0.067 176.873 176.870 -0.106 0.000 1.158 976 L CA -0.208 54.429 54.840 -0.340 0.000 0.819 976 L CB 0.521 42.175 42.059 -0.674 0.000 1.112 976 L HN 0.234 nan 8.230 nan 0.000 0.458 977 H N 1.662 120.780 119.070 0.079 0.000 2.667 977 H HA 0.507 5.076 4.556 0.020 0.000 0.353 977 H C -0.646 174.809 175.328 0.212 0.000 1.072 977 H CA -1.244 54.880 56.048 0.127 0.000 1.214 977 H CB 1.269 31.059 29.762 0.047 0.000 1.600 977 H HN 0.691 nan 8.280 nan 0.000 0.527 978 A N 4.025 127.000 122.820 0.258 0.000 2.563 978 A HA -0.011 4.321 4.320 0.020 0.000 0.256 978 A C 0.491 178.144 177.584 0.115 0.000 1.056 978 A CA 0.142 52.182 52.037 0.005 0.000 0.775 978 A CB -0.318 18.644 19.000 -0.062 0.000 0.973 978 A HN 0.822 nan 8.150 nan 0.000 0.516 979 E N 1.601 121.863 120.200 0.103 0.000 2.385 979 E HA 0.167 4.529 4.350 0.020 0.000 0.254 979 E C -0.004 176.647 176.600 0.085 0.000 1.228 979 E CA -0.598 55.927 56.400 0.208 0.000 0.956 979 E CB 0.653 30.597 29.700 0.406 0.000 1.116 979 E HN 0.794 nan 8.360 nan 0.000 0.507 980 E N -0.150 120.090 120.200 0.067 0.000 2.360 980 E HA 0.254 4.616 4.350 0.020 0.000 0.269 980 E C 0.258 176.796 176.600 -0.105 0.000 1.022 980 E CA 0.515 56.905 56.400 -0.017 0.000 0.887 980 E CB 0.577 30.264 29.700 -0.022 0.000 0.990 980 E HN 0.663 nan 8.360 nan 0.000 0.426 981 G N 2.725 111.461 108.800 -0.107 0.000 2.553 981 G HA2 -0.222 3.750 3.960 0.020 0.000 0.242 981 G HA3 -0.222 3.750 3.960 0.020 0.000 0.242 981 G C -0.624 174.173 174.900 -0.173 0.000 1.277 981 G CA -0.210 44.796 45.100 -0.156 0.000 0.910 981 G HN 0.601 nan 8.290 nan 0.000 0.576 982 T N 0.088 114.494 114.554 -0.246 0.000 2.928 982 T HA 0.505 4.867 4.350 0.020 0.000 0.296 982 T C -0.865 173.612 174.700 -0.372 0.000 1.000 982 T CA -0.200 61.781 62.100 -0.198 0.000 0.989 982 T CB 1.439 70.304 68.868 -0.007 0.000 1.005 982 T HN 0.583 nan 8.240 nan 0.000 0.442 983 W N 3.158 124.378 121.300 -0.134 0.000 2.322 983 W HA 0.600 5.272 4.660 0.020 0.000 0.307 983 W C -0.241 176.163 176.519 -0.192 0.000 1.220 983 W CA -0.719 56.545 57.345 -0.136 0.000 1.210 983 W CB 0.726 30.116 29.460 -0.116 0.000 1.223 983 W HN 0.382 nan 8.180 nan 0.000 0.511 984 L N 5.755 126.993 121.223 0.026 0.000 2.343 984 L HA 0.489 4.841 4.340 0.020 0.000 0.278 984 L C -1.040 175.744 176.870 -0.144 0.000 0.996 984 L CA -0.415 54.326 54.840 -0.164 0.000 0.831 984 L CB 0.736 42.564 42.059 -0.384 0.000 1.232 984 L HN 0.311 nan 8.230 nan 0.000 0.413 985 N N 6.491 125.096 118.700 -0.158 0.000 2.476 985 N HA 0.427 5.179 4.740 0.020 0.000 0.257 985 N C -1.248 174.127 175.510 -0.225 0.000 0.970 985 N CA -0.181 52.769 53.050 -0.167 0.000 0.938 985 N CB 2.482 40.897 38.487 -0.120 0.000 1.144 985 N HN 0.629 nan 8.380 nan 0.000 0.500 986 I N 1.889 122.279 120.570 -0.301 0.000 2.410 986 I HA 0.261 4.443 4.170 0.020 0.000 0.286 986 I C -1.104 174.822 176.117 -0.318 0.000 1.009 986 I CA -0.553 60.527 61.300 -0.366 0.000 1.111 986 I CB 0.855 38.431 38.000 -0.706 0.000 1.262 986 I HN 0.230 nan 8.210 nan 0.000 0.443 987 D N 4.988 125.239 120.400 -0.248 0.000 2.248 987 D HA 0.319 4.971 4.640 0.020 0.000 0.246 987 D C 0.760 176.747 176.300 -0.520 0.000 1.027 987 D CA -0.289 53.493 54.000 -0.363 0.000 0.853 987 D CB 2.285 42.971 40.800 -0.190 0.000 1.243 987 D HN 0.688 nan 8.370 nan 0.000 0.462 988 G N 1.041 109.192 108.800 -1.082 0.000 2.394 988 G HA2 -0.037 3.935 3.960 0.020 0.000 0.214 988 G HA3 -0.037 3.935 3.960 0.020 0.000 0.214 988 G C 0.106 174.298 174.900 -1.180 0.000 1.176 988 G CA 0.659 44.975 45.100 -1.306 0.000 0.786 988 G HN 0.390 nan 8.290 nan 0.000 0.533 989 F N -2.060 117.694 119.950 -0.326 0.000 2.601 989 F HA 0.598 5.137 4.527 0.020 0.000 0.309 989 F C -0.517 175.187 175.800 -0.159 0.000 1.089 989 F CA -1.149 56.737 58.000 -0.190 0.000 0.940 989 F CB 2.122 40.947 39.000 -0.292 0.000 1.273 989 F HN 0.027 nan 8.300 nan 0.000 0.450 990 H N 1.875 120.958 119.070 0.022 0.000 2.717 990 H HA 0.525 5.093 4.556 0.020 0.000 0.366 990 H C -0.668 174.692 175.328 0.054 0.000 1.132 990 H CA -0.946 55.093 56.048 -0.015 0.000 1.180 990 H CB 1.842 31.577 29.762 -0.046 0.000 1.678 990 H HN 0.768 nan 8.280 nan 0.000 0.537 991 M N 3.674 123.202 119.600 -0.121 0.000 2.245 991 M HA 0.250 4.742 4.480 0.020 0.000 0.344 991 M C 0.400 176.803 176.300 0.171 0.000 1.170 991 M CA 0.214 55.512 55.300 -0.005 0.000 1.135 991 M CB 0.289 32.794 32.600 -0.158 0.000 1.574 991 M HN 0.833 nan 8.290 nan 0.000 0.452 992 G N 3.847 112.753 108.800 0.177 0.000 2.732 992 G HA2 0.240 4.212 3.960 0.020 0.000 0.244 992 G HA3 0.240 4.212 3.960 0.020 0.000 0.244 992 G C 0.643 175.554 174.900 0.018 0.000 1.226 992 G CA -0.372 44.779 45.100 0.085 0.000 0.860 992 G HN 0.998 nan 8.290 nan 0.000 0.583 993 I N -1.686 118.850 120.570 -0.057 0.000 3.941 993 I HA 0.415 4.597 4.170 0.020 0.000 0.321 993 I C 1.112 177.183 176.117 -0.077 0.000 1.284 993 I CA 0.415 61.647 61.300 -0.113 0.000 1.226 993 I CB -0.658 37.181 38.000 -0.269 0.000 1.045 993 I HN 0.947 nan 8.210 nan 0.000 0.420 994 G N 1.486 110.261 108.800 -0.042 0.000 2.752 994 G HA2 0.034 4.006 3.960 0.020 0.000 0.234 994 G HA3 0.034 4.006 3.960 0.020 0.000 0.234 994 G C 0.457 175.362 174.900 0.009 0.000 1.367 994 G CA 0.040 45.146 45.100 0.011 0.000 0.879 994 G HN 1.206 nan 8.290 nan 0.000 0.563 995 G N -2.437 106.385 108.800 0.037 0.000 3.578 995 G HA2 0.050 4.022 3.960 0.020 0.000 0.220 995 G HA3 0.050 4.022 3.960 0.020 0.000 0.220 995 G C 0.718 175.682 174.900 0.107 0.000 0.933 995 G CA 0.968 46.100 45.100 0.054 0.000 0.847 995 G HN 0.924 nan 8.290 nan 0.000 0.612 996 D N 1.381 121.867 120.400 0.143 0.000 2.170 996 D HA 0.019 4.671 4.640 0.020 0.000 0.193 996 D C 0.934 177.290 176.300 0.093 0.000 1.004 996 D CA 2.142 56.284 54.000 0.236 0.000 0.860 996 D CB 0.033 40.978 40.800 0.242 0.000 0.931 996 D HN 0.792 nan 8.370 nan 0.000 0.448 997 D N -3.342 116.915 120.400 -0.239 0.000 2.602 997 D HA 0.391 5.043 4.640 0.020 0.000 0.236 997 D C -0.737 175.180 176.300 -0.637 0.000 1.209 997 D CA -0.760 52.720 54.000 -0.865 0.000 0.831 997 D CB 1.287 40.925 40.800 -1.938 0.000 1.478 997 D HN -0.304 nan 8.370 nan 0.000 0.438 998 S N -0.105 115.155 115.700 -0.733 0.000 2.601 998 S HA 0.193 4.675 4.470 0.020 0.000 0.244 998 S C -0.381 174.300 174.600 0.134 0.000 1.001 998 S CA -0.693 57.442 58.200 -0.109 0.000 0.984 998 S CB -0.483 62.837 63.200 0.199 0.000 0.842 998 S HN 0.666 nan 8.310 nan 0.000 0.474 999 W N 1.451 122.730 121.300 -0.035 0.000 2.499 999 W HA 0.577 5.248 4.660 0.019 0.000 0.362 999 W C -0.059 176.436 176.519 -0.040 0.000 0.945 999 W CA -0.514 56.812 57.345 -0.031 0.000 1.721 999 W CB -0.428 28.951 29.460 -0.135 0.000 1.156 999 W HN 0.147 nan 8.180 nan 0.000 0.547 1000 S N -1.399 114.193 115.700 -0.179 0.000 2.587 1000 S HA 0.568 5.050 4.470 0.020 0.000 0.269 1000 S C -3.192 171.345 174.600 -0.105 0.000 1.154 1000 S CA -1.584 56.546 58.200 -0.116 0.000 0.824 1000 S CB 1.454 64.578 63.200 -0.126 0.000 1.118 1000 S HN -0.212 nan 8.310 nan 0.000 0.462 1001 P HA 0.256 nan 4.420 nan 0.000 0.266 1001 P C 0.308 177.634 177.300 0.044 0.000 1.215 1001 P CA -0.140 62.960 63.100 -0.000 0.000 0.763 1001 P CB 0.640 32.207 31.700 -0.221 0.000 0.806 1002 S N 0.726 116.493 115.700 0.112 0.000 2.819 1002 S HA 0.163 4.645 4.470 0.020 0.000 0.249 1002 S C 0.218 174.901 174.600 0.138 0.000 1.030 1002 S CA -0.357 57.889 58.200 0.076 0.000 1.052 1002 S CB -0.321 62.883 63.200 0.006 0.000 1.017 1002 S HN 0.116 nan 8.310 nan 0.000 0.576 1003 V N 2.667 122.715 119.914 0.223 0.000 2.488 1003 V HA 0.377 4.509 4.120 0.020 0.000 0.277 1003 V C 0.843 177.082 176.094 0.243 0.000 1.046 1003 V CA -0.318 62.102 62.300 0.200 0.000 0.986 1003 V CB 1.136 33.042 31.823 0.139 0.000 0.989 1003 V HN 0.511 nan 8.190 nan 0.000 0.475 1004 S N 3.741 119.593 115.700 0.253 0.000 2.568 1004 S HA 0.267 4.749 4.470 0.020 0.000 0.282 1004 S C 1.517 176.259 174.600 0.237 0.000 1.338 1004 S CA 0.085 58.435 58.200 0.251 0.000 1.045 1004 S CB 1.092 64.467 63.200 0.292 0.000 0.873 1004 S HN 0.995 nan 8.310 nan 0.000 0.516 1005 A N 3.232 126.141 122.820 0.149 0.000 1.978 1005 A HA -0.131 4.201 4.320 0.020 0.000 0.220 1005 A C 1.971 179.577 177.584 0.036 0.000 1.170 1005 A CA 1.751 53.856 52.037 0.114 0.000 0.636 1005 A CB -0.566 18.482 19.000 0.080 0.000 0.810 1005 A HN 0.948 nan 8.150 nan 0.000 0.448 1006 E N -1.064 119.095 120.200 -0.067 0.000 2.482 1006 E HA -0.073 4.289 4.350 0.020 0.000 0.196 1006 E C 0.668 176.958 176.600 -0.515 0.000 1.047 1006 E CA 0.561 56.781 56.400 -0.300 0.000 0.869 1006 E CB -0.362 29.074 29.700 -0.440 0.000 0.836 1006 E HN 0.684 nan 8.360 nan 0.000 0.520 1007 F N 1.258 121.255 119.950 0.079 0.000 2.678 1007 F HA 0.249 4.788 4.527 0.020 0.000 0.305 1007 F C 0.818 176.653 175.800 0.058 0.000 1.090 1007 F CA -0.505 57.542 58.000 0.078 0.000 1.272 1007 F CB 0.504 39.554 39.000 0.083 0.000 1.060 1007 F HN -0.186 nan 8.300 nan 0.000 0.576 1008 Q N 1.614 121.511 119.800 0.162 0.000 2.259 1008 Q HA 0.346 4.698 4.340 0.020 0.000 0.249 1008 Q C -0.145 175.868 176.000 0.021 0.000 0.914 1008 Q CA -0.323 55.556 55.803 0.126 0.000 0.904 1008 Q CB 1.619 30.514 28.738 0.263 0.000 1.213 1008 Q HN 0.282 nan 8.270 nan 0.000 0.428 1009 L N 2.539 123.761 121.223 -0.002 0.000 2.423 1009 L HA 0.103 4.455 4.340 0.020 0.000 0.249 1009 L C 0.539 177.378 176.870 -0.051 0.000 1.276 1009 L CA -0.067 54.752 54.840 -0.035 0.000 1.199 1009 L CB -0.467 41.465 42.059 -0.212 0.000 1.407 1009 L HN 0.686 nan 8.230 nan 0.000 0.410 1010 S N -1.457 114.112 115.700 -0.218 0.000 2.602 1010 S HA 0.202 4.684 4.470 0.020 0.000 0.240 1010 S C 1.517 176.027 174.600 -0.149 0.000 0.992 1010 S CA 0.115 58.033 58.200 -0.471 0.000 0.971 1010 S CB 0.858 63.544 63.200 -0.856 0.000 0.855 1010 S HN 0.490 nan 8.310 nan 0.000 0.481 1011 A N 1.436 124.185 122.820 -0.117 0.000 2.067 1011 A HA 0.457 4.789 4.320 0.020 0.000 0.219 1011 A C 2.095 179.498 177.584 -0.301 0.000 1.158 1011 A CA 1.245 53.080 52.037 -0.337 0.000 0.661 1011 A CB -1.208 17.368 19.000 -0.707 0.000 0.801 1011 A HN 1.508 nan 8.150 nan 0.000 0.452 1012 G N -1.129 107.565 108.800 -0.176 0.000 2.900 1012 G HA2 -0.302 3.670 3.960 0.020 0.000 0.223 1012 G HA3 -0.302 3.670 3.960 0.020 0.000 0.223 1012 G C 0.470 175.311 174.900 -0.099 0.000 1.293 1012 G CA 0.379 45.445 45.100 -0.056 0.000 0.792 1012 G HN 0.678 nan 8.290 nan 0.000 0.527 1013 R N -0.143 120.184 120.500 -0.288 0.000 2.437 1013 R HA 0.685 5.037 4.340 0.020 0.000 0.310 1013 R C -1.382 174.648 176.300 -0.450 0.000 0.955 1013 R CA -0.521 55.459 56.100 -0.200 0.000 0.851 1013 R CB 1.310 31.569 30.300 -0.069 0.000 1.161 1013 R HN 0.305 nan 8.270 nan 0.000 0.446 1014 Y N 0.498 120.826 120.300 0.046 0.000 2.462 1014 Y HA 0.338 4.900 4.550 0.020 0.000 0.346 1014 Y C -0.372 175.719 175.900 0.318 0.000 0.976 1014 Y CA -0.814 57.314 58.100 0.046 0.000 1.044 1014 Y CB 2.185 40.591 38.460 -0.090 0.000 1.230 1014 Y HN 0.579 nan 8.280 nan 0.000 0.455 1015 H N 3.097 122.485 119.070 0.529 0.000 2.782 1015 H HA 0.510 5.078 4.556 0.020 0.000 0.347 1015 H C -1.810 173.858 175.328 0.567 0.000 1.038 1015 H CA -0.867 55.437 56.048 0.426 0.000 1.255 1015 H CB 1.018 30.922 29.762 0.238 0.000 1.623 1015 H HN 0.590 nan 8.280 nan 0.000 0.525 1016 Y N 2.492 122.624 120.300 -0.281 0.000 2.562 1016 Y HA 0.507 5.069 4.550 0.020 0.000 0.345 1016 Y C -1.819 173.880 175.900 -0.334 0.000 1.045 1016 Y CA -1.063 56.905 58.100 -0.219 0.000 1.028 1016 Y CB 1.655 40.044 38.460 -0.117 0.000 1.297 1016 Y HN 0.749 nan 8.280 nan 0.000 0.463 1017 Q N 3.378 123.150 119.800 -0.048 0.000 2.340 1017 Q HA 0.730 5.082 4.340 0.020 0.000 0.276 1017 Q C -2.469 173.600 176.000 0.116 0.000 1.048 1017 Q CA -0.989 54.785 55.803 -0.050 0.000 0.832 1017 Q CB 3.221 31.959 28.738 -0.000 0.000 1.373 1017 Q HN 0.970 nan 8.270 nan 0.000 0.409 1018 L N 1.415 122.692 121.223 0.089 0.000 2.376 1018 L HA 0.750 5.102 4.340 0.020 0.000 0.258 1018 L C -1.462 175.516 176.870 0.180 0.000 1.013 1018 L CA -1.053 53.888 54.840 0.168 0.000 0.822 1018 L CB 2.842 44.973 42.059 0.120 0.000 1.388 1018 L HN 0.631 nan 8.230 nan 0.000 0.413 1019 V N 1.570 121.626 119.914 0.236 0.000 2.482 1019 V HA 0.353 4.485 4.120 0.020 0.000 0.295 1019 V C -1.415 174.855 176.094 0.294 0.000 1.026 1019 V CA -0.429 62.013 62.300 0.237 0.000 0.856 1019 V CB 1.886 33.822 31.823 0.189 0.000 1.001 1019 V HN 0.600 nan 8.190 nan 0.000 0.424 1020 W N 7.142 128.497 121.300 0.091 0.000 2.478 1020 W HA 0.720 5.392 4.660 0.020 0.000 0.318 1020 W C -0.085 176.418 176.519 -0.028 0.000 1.062 1020 W CA -1.086 56.217 57.345 -0.070 0.000 1.210 1020 W CB 1.412 30.875 29.460 0.005 0.000 1.325 1020 W HN 0.846 nan 8.180 nan 0.000 0.496 1021 C N 3.512 123.129 119.300 0.529 0.000 3.311 1021 C HA 0.714 5.186 4.460 0.020 0.000 0.366 1021 C C -0.717 174.398 174.990 0.208 0.000 1.694 1021 C CA -0.846 58.333 59.018 0.269 0.000 1.244 1021 C CB 1.812 29.651 27.740 0.166 0.000 2.038 1021 C HN 0.672 nan 8.230 nan 0.000 0.436 1022 Q N 0.810 120.661 119.800 0.085 0.000 2.394 1022 Q HA 0.721 5.073 4.340 0.020 0.000 0.273 1022 Q C -1.335 174.665 176.000 0.001 0.000 1.089 1022 Q CA -0.256 55.552 55.803 0.009 0.000 0.812 1022 Q CB 2.165 30.869 28.738 -0.057 0.000 1.353 1022 Q HN 0.884 nan 8.270 nan 0.000 0.438 1023 K N 0.000 120.382 120.400 -0.029 0.000 2.780 1023 K HA 0.000 4.332 4.320 0.020 0.000 0.191 1023 K CA 0.000 56.272 56.287 -0.025 0.000 0.838 1023 K CB 0.000 32.498 32.500 -0.004 0.000 1.064 1023 K HN 0.000 nan 8.250 nan 0.000 0.543