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 3i3d_1_B DATA FIRST_RESID 13 DATA SEQUENCE RRDWENPGVT QLNRLAAHPP FASWRNSEEA RTDRPSQQLR SLNGEWRFAW DATA SEQUENCE FPAPEAVPES WLECDLPEAD TVVVPSNWQM HGYDAPIYTN VTYPITVNPP DATA SEQUENCE FVPTENPTGC YSLTFNVDES WLQEGQTRII FDGVNSAFHL WCNGRWVGYG DATA SEQUENCE QDSRLPSEFD LSAFLRAGEN RLAVMVLRWS DGSYLEDQDM WRMSGIFRDV DATA SEQUENCE SLLHKPTTQI SDFHVATRFN DDFSRAVLEA EVQMCGELRD YLRVTVSLWQ DATA SEQUENCE GETQVASGTA PFGGEIIDER GGYADRVTLR LNVENPKLWS AEIPNLYRAV DATA SEQUENCE VELHTADGTL IEAEACDVGF REVRIENGLL LLNGKPLLIR GVNRHEHHPL DATA SEQUENCE HGQVMDEQTM VQDILLMKQN NFNAVRCSHY PNHPLWYTLC DRYGLYVVDE DATA SEQUENCE ANIETHGMVP MNRLTDDPRW LPAMSERVTR MVQRDRNHPS VIIWSLGNES DATA SEQUENCE GHGANHDALY RWIKSVDPSR PVQYEGGGAD TTATDIICPM YARVDEDQPF DATA SEQUENCE PAVPKWSIKK WLSLPGETRP LILCEYAHAA GNSLGGFAKY WQAFRQYPRL DATA SEQUENCE QGGFVWDWVD QSLIKYDENG NPWSAYGGDF GDTPNDRQFC MNGLVFADRT DATA SEQUENCE PHPALTEAKH QQQFFQFRLS GQTIEVTSEY LFRHSDNELL HWMVALDGKP DATA SEQUENCE LASGEVPLDV APQGKQLIEL PELPQPESAG QLWLTVRVVQ PNATAWSEAG DATA SEQUENCE HISAWQQWRL AENLSVTLPA ASHAIPHLTT SEMDFCIELG NKRWQFNRQS DATA SEQUENCE GFLSQMWIGD KKQLLTPLRD QFTRAPLDND IGVSEATRID PNAWVERWKA DATA SEQUENCE AGHYQAEAAL LQCTADTLAD AVLITTAHAW QHQGKTLFIS RKTYRIDGSG DATA SEQUENCE QMAITVDVEV ASDTPHPARI GLNCQLAQVA ERVNWLGLGP QENYPDRLTA DATA SEQUENCE ACFDRWDLPL SDMYTPYVFP SENGLRCGTR ELNYGPHQWR GDFQFNISRY DATA SEQUENCE SQQQLMETSH RHLLHAEEGT WLNIDGFHMG IGGDDSWSPS VSAEFQLSAG DATA SEQUENCE RYHYQLVWCQ 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 0.000 176.080 176.300 -0.367 0.000 0.893 13 R CA 0.000 55.956 56.100 -0.240 0.000 0.921 13 R CB 0.000 30.158 30.300 -0.237 0.000 0.687 14 R N 1.924 122.090 120.500 -0.555 0.000 3.109 14 R HA -0.171 4.170 4.340 0.001 0.000 0.241 14 R C -0.246 175.497 176.300 -0.929 0.000 0.882 14 R CA 0.886 56.246 56.100 -1.233 0.000 0.604 14 R CB -1.157 28.596 30.300 -0.911 0.000 1.040 14 R HN 0.255 nan 8.270 nan 0.000 0.480 15 D N -0.119 119.928 120.400 -0.590 0.000 2.309 15 D HA -0.163 4.477 4.640 0.001 0.000 0.212 15 D C 1.572 177.748 176.300 -0.206 0.000 0.968 15 D CA 1.511 55.251 54.000 -0.433 0.000 0.882 15 D CB -0.083 40.291 40.800 -0.710 0.000 0.918 15 D HN 0.723 nan 8.370 nan 0.000 0.503 16 W N 1.247 122.540 121.300 -0.012 0.000 3.292 16 W HA 0.227 4.888 4.660 0.001 0.000 0.263 16 W C 0.465 177.070 176.519 0.143 0.000 1.318 16 W CA -0.284 57.169 57.345 0.180 0.000 1.663 16 W CB -0.182 29.433 29.460 0.258 0.000 1.114 16 W HN -0.209 nan 8.180 nan 0.000 0.706 17 E N 1.136 121.208 120.200 -0.213 0.000 3.306 17 E HA 0.045 4.395 4.350 0.001 0.000 0.197 17 E C -0.809 175.624 176.600 -0.278 0.000 0.980 17 E CA -0.198 56.090 56.400 -0.187 0.000 1.259 17 E CB -0.153 29.403 29.700 -0.239 0.000 1.112 17 E HN 0.028 nan 8.360 nan 0.000 0.458 18 N N 1.247 119.822 118.700 -0.207 0.000 2.594 18 N HA 0.123 4.863 4.740 0.001 0.000 0.280 18 N C -2.288 173.071 175.510 -0.253 0.000 1.156 18 N CA -1.854 51.038 53.050 -0.263 0.000 0.831 18 N CB 1.485 39.826 38.487 -0.245 0.000 1.379 18 N HN -0.159 nan 8.380 nan 0.000 0.536 19 P HA 0.040 nan 4.420 nan 0.000 0.234 19 P C 1.011 178.067 177.300 -0.407 0.000 1.167 19 P CA 0.526 63.288 63.100 -0.563 0.000 0.763 19 P CB 0.160 31.009 31.700 -1.418 0.000 0.835 20 G N -0.127 108.479 108.800 -0.325 0.000 2.511 20 G HA2 0.025 3.985 3.960 0.001 0.000 0.217 20 G HA3 0.025 3.985 3.960 0.001 0.000 0.217 20 G C 0.430 175.244 174.900 -0.142 0.000 1.133 20 G CA 0.197 45.159 45.100 -0.230 0.000 0.792 20 G HN 0.218 nan 8.290 nan 0.000 0.539 21 V N 1.692 121.539 119.914 -0.111 0.000 2.326 21 V HA 0.314 4.435 4.120 0.001 0.000 0.281 21 V C 0.832 176.976 176.094 0.082 0.000 1.015 21 V CA 0.139 62.425 62.300 -0.024 0.000 0.823 21 V CB 1.251 33.039 31.823 -0.058 0.000 1.009 21 V HN 0.327 nan 8.190 nan 0.000 0.436 22 T N 0.594 115.196 114.554 0.080 0.000 3.054 22 T HA 0.383 4.734 4.350 0.001 0.000 0.255 22 T C 0.232 174.988 174.700 0.094 0.000 1.035 22 T CA 0.054 62.211 62.100 0.095 0.000 0.941 22 T CB 0.269 69.145 68.868 0.014 0.000 1.026 22 T HN 0.719 nan 8.240 nan 0.000 0.533 23 Q N 0.223 120.129 119.800 0.177 0.000 2.791 23 Q HA 0.610 4.950 4.340 0.001 0.000 0.280 23 Q C -2.391 173.745 176.000 0.227 0.000 0.928 23 Q CA -0.968 54.937 55.803 0.170 0.000 0.819 23 Q CB 0.499 29.243 28.738 0.011 0.000 1.552 23 Q HN 0.227 nan 8.270 nan 0.000 0.410 24 L N 1.918 123.305 121.223 0.274 0.000 2.439 24 L HA 0.604 4.944 4.340 0.001 0.000 0.270 24 L C -0.539 176.456 176.870 0.208 0.000 0.972 24 L CA -0.884 54.118 54.840 0.270 0.000 0.836 24 L CB 1.867 44.205 42.059 0.465 0.000 1.255 24 L HN 0.860 nan 8.230 nan 0.000 0.404 25 N N 0.931 119.716 118.700 0.141 0.000 2.753 25 N HA -0.214 4.526 4.740 0.001 0.000 0.251 25 N C 0.257 175.821 175.510 0.088 0.000 1.097 25 N CA 0.863 53.979 53.050 0.109 0.000 0.786 25 N CB -0.792 37.725 38.487 0.050 0.000 1.137 25 N HN 0.662 nan 8.380 nan 0.000 0.566 26 R N 0.926 121.401 120.500 -0.041 0.000 2.490 26 R HA 0.362 4.702 4.340 0.001 0.000 0.280 26 R C 0.514 176.648 176.300 -0.277 0.000 1.077 26 R CA -0.310 55.523 56.100 -0.445 0.000 1.065 26 R CB 0.518 30.562 30.300 -0.427 0.000 1.003 26 R HN 0.127 nan 8.270 nan 0.000 0.470 27 L N 3.001 124.029 121.223 -0.325 0.000 2.453 27 L HA 0.300 4.640 4.340 0.001 0.000 0.261 27 L C 0.640 177.450 176.870 -0.100 0.000 1.179 27 L CA -0.575 54.182 54.840 -0.138 0.000 0.813 27 L CB 0.912 42.923 42.059 -0.080 0.000 1.110 27 L HN 0.780 nan 8.230 nan 0.000 0.466 28 A N 1.534 124.339 122.820 -0.024 0.000 2.483 28 A HA 0.479 4.799 4.320 0.001 0.000 0.238 28 A C 0.316 177.906 177.584 0.009 0.000 1.070 28 A CA 0.017 52.050 52.037 -0.007 0.000 0.770 28 A CB 0.185 19.205 19.000 0.034 0.000 1.008 28 A HN 0.799 nan 8.150 nan 0.000 0.497 29 A N 1.397 124.178 122.820 -0.066 0.000 2.332 29 A HA 0.687 5.007 4.320 0.001 0.000 0.258 29 A C 0.105 177.603 177.584 -0.145 0.000 1.087 29 A CA 0.489 52.414 52.037 -0.188 0.000 0.802 29 A CB -0.036 18.850 19.000 -0.189 0.000 1.042 29 A HN 1.938 nan 8.150 nan 0.000 0.489 30 H N -2.542 116.385 119.070 -0.238 0.000 2.950 30 H HA 0.612 5.169 4.556 0.001 0.000 0.307 30 H C -3.438 171.620 175.328 -0.451 0.000 1.403 30 H CA -1.758 54.089 56.048 -0.336 0.000 1.145 30 H CB -0.029 29.442 29.762 -0.485 0.000 1.844 30 H HN 0.375 nan 8.280 nan 0.000 0.515 31 P HA 0.205 nan 4.420 nan 0.000 0.272 31 P C -2.575 174.566 177.300 -0.265 0.000 1.240 31 P CA -1.253 61.652 63.100 -0.324 0.000 0.791 31 P CB -0.111 31.323 31.700 -0.444 0.000 0.978 32 P HA -0.000 nan 4.420 nan 0.000 0.261 32 P C -0.796 176.696 177.300 0.321 0.000 1.183 32 P CA 1.208 64.349 63.100 0.068 0.000 0.761 32 P CB -0.127 31.652 31.700 0.132 0.000 0.785 33 F N 1.487 121.532 119.950 0.159 0.000 2.556 33 F HA 0.606 5.134 4.527 0.001 0.000 0.327 33 F C 1.028 176.743 175.800 -0.142 0.000 1.059 33 F CA -0.963 57.065 58.000 0.047 0.000 0.953 33 F CB 2.141 41.137 39.000 -0.006 0.000 1.227 33 F HN 0.222 nan 8.300 nan 0.000 0.478 34 A N 0.258 122.978 122.820 -0.167 0.000 2.591 34 A HA 0.220 4.540 4.320 0.001 0.000 0.204 34 A C 0.606 177.875 177.584 -0.525 0.000 1.410 34 A CA 0.516 52.213 52.037 -0.567 0.000 1.065 34 A CB -0.131 17.987 19.000 -1.471 0.000 1.362 34 A HN 0.776 nan 8.150 nan 0.000 0.566 35 S N 0.398 115.892 115.700 -0.343 0.000 3.550 35 S HA -0.149 4.322 4.470 0.001 0.000 0.372 35 S C -0.030 174.493 174.600 -0.129 0.000 0.966 35 S CA 0.466 58.537 58.200 -0.213 0.000 1.229 35 S CB -1.642 61.448 63.200 -0.182 0.000 0.917 35 S HN 0.461 nan 8.310 nan 0.000 0.496 36 W N 1.639 122.918 121.300 -0.035 0.000 2.170 36 W HA 0.249 4.909 4.660 0.001 0.000 0.342 36 W C 1.376 177.873 176.519 -0.037 0.000 1.294 36 W CA -0.515 56.815 57.345 -0.025 0.000 1.246 36 W CB 0.229 29.674 29.460 -0.024 0.000 1.156 36 W HN 0.352 nan 8.180 nan 0.000 0.572 37 R N 1.751 122.375 120.500 0.207 0.000 2.543 37 R HA 0.071 4.411 4.340 0.001 0.000 0.323 37 R C -0.090 176.262 176.300 0.087 0.000 1.002 37 R CA -0.139 56.022 56.100 0.103 0.000 1.106 37 R CB -0.192 30.139 30.300 0.051 0.000 1.280 37 R HN 0.340 nan 8.270 nan 0.000 0.549 38 N N 0.162 118.928 118.700 0.110 0.000 2.480 38 N HA 0.123 4.863 4.740 0.001 0.000 0.289 38 N C -0.054 175.426 175.510 -0.049 0.000 1.073 38 N CA -0.013 53.053 53.050 0.027 0.000 0.885 38 N CB 1.768 40.270 38.487 0.025 0.000 1.421 38 N HN -0.261 nan 8.380 nan 0.000 0.503 39 S N 2.358 118.014 115.700 -0.074 0.000 2.399 39 S HA -0.151 4.319 4.470 0.001 0.000 0.231 39 S C 1.365 175.807 174.600 -0.264 0.000 1.022 39 S CA 1.062 59.179 58.200 -0.138 0.000 0.983 39 S CB 0.030 63.183 63.200 -0.078 0.000 0.803 39 S HN 0.715 nan 8.310 nan 0.000 0.480 40 E N 1.654 121.716 120.200 -0.230 0.000 2.106 40 E HA -0.129 4.221 4.350 0.001 0.000 0.192 40 E C 1.842 178.225 176.600 -0.362 0.000 0.984 40 E CA 1.245 57.473 56.400 -0.287 0.000 0.806 40 E CB -0.173 29.415 29.700 -0.187 0.000 0.750 40 E HN 0.590 nan 8.360 nan 0.000 0.458 41 E N -0.301 119.684 120.200 -0.357 0.000 2.106 41 E HA -0.139 4.211 4.350 0.001 0.000 0.192 41 E C 2.012 177.989 176.600 -1.038 0.000 0.984 41 E CA 0.850 56.970 56.400 -0.465 0.000 0.806 41 E CB -0.164 29.397 29.700 -0.232 0.000 0.750 41 E HN 0.351 nan 8.360 nan 0.000 0.458 42 A N 1.769 123.829 122.820 -1.268 0.000 1.898 42 A HA -0.199 4.121 4.320 0.001 0.000 0.216 42 A C 2.133 179.157 177.584 -0.933 0.000 1.181 42 A CA 1.479 52.535 52.037 -1.635 0.000 0.620 42 A CB -0.446 18.085 19.000 -0.781 0.000 0.819 42 A HN 0.083 nan 8.150 nan 0.000 0.442 43 R N -0.173 119.929 120.500 -0.662 0.000 2.081 43 R HA -0.132 4.209 4.340 0.001 0.000 0.235 43 R C 1.974 177.990 176.300 -0.473 0.000 1.131 43 R CA 2.128 57.864 56.100 -0.606 0.000 0.960 43 R CB -0.469 29.314 30.300 -0.860 0.000 0.856 43 R HN 0.605 nan 8.270 nan 0.000 0.436 44 T N -2.698 111.598 114.554 -0.430 0.000 3.129 44 T HA 0.044 4.394 4.350 0.001 0.000 0.251 44 T C 0.214 174.800 174.700 -0.191 0.000 1.117 44 T CA 0.489 62.425 62.100 -0.272 0.000 1.034 44 T CB 0.014 68.750 68.868 -0.219 0.000 0.968 44 T HN 0.396 nan 8.240 nan 0.000 0.526 45 D N 0.959 121.191 120.400 -0.279 0.000 2.723 45 D HA -0.160 4.481 4.640 0.001 0.000 0.236 45 D C -0.063 176.313 176.300 0.125 0.000 1.138 45 D CA 0.391 54.358 54.000 -0.054 0.000 0.676 45 D CB -0.995 39.843 40.800 0.062 0.000 1.069 45 D HN 0.576 nan 8.370 nan 0.000 0.430 46 R N 0.009 120.550 120.500 0.068 0.000 2.577 46 R HA 0.499 4.839 4.340 0.001 0.000 0.269 46 R C -2.062 174.476 176.300 0.396 0.000 1.084 46 R CA -1.454 54.748 56.100 0.169 0.000 1.163 46 R CB 0.174 30.518 30.300 0.073 0.000 1.100 46 R HN 0.085 nan 8.270 nan 0.000 0.547 47 P HA -0.066 nan 4.420 nan 0.000 0.269 47 P C -0.747 176.731 177.300 0.297 0.000 1.211 47 P CA 0.325 63.572 63.100 0.245 0.000 0.781 47 P CB 0.613 32.404 31.700 0.152 0.000 0.877 48 S N 1.011 116.786 115.700 0.124 0.000 2.502 48 S HA 0.152 4.623 4.470 0.001 0.000 0.304 48 S C 0.794 175.424 174.600 0.049 0.000 1.097 48 S CA -0.543 57.668 58.200 0.019 0.000 1.045 48 S CB 0.665 63.591 63.200 -0.458 0.000 1.019 48 S HN 0.221 nan 8.310 nan 0.000 0.481 49 Q N 2.575 122.433 119.800 0.096 0.000 2.291 49 Q HA -0.041 4.300 4.340 0.001 0.000 0.205 49 Q C 1.054 177.175 176.000 0.202 0.000 0.970 49 Q CA 1.336 57.226 55.803 0.144 0.000 0.876 49 Q CB -0.098 28.723 28.738 0.139 0.000 0.935 49 Q HN 0.716 nan 8.270 nan 0.000 0.455 50 Q N -0.437 119.397 119.800 0.056 0.000 2.444 50 Q HA 0.071 4.412 4.340 0.001 0.000 0.206 50 Q C -0.174 175.873 176.000 0.078 0.000 0.948 50 Q CA 0.192 55.971 55.803 -0.039 0.000 0.946 50 Q CB 0.328 28.968 28.738 -0.162 0.000 1.027 50 Q HN 0.030 nan 8.270 nan 0.000 0.513 51 L N 0.788 122.070 121.223 0.098 0.000 2.353 51 L HA 0.403 4.743 4.340 0.001 0.000 0.270 51 L C -1.050 175.903 176.870 0.138 0.000 1.003 51 L CA -0.526 54.372 54.840 0.097 0.000 0.862 51 L CB 1.025 43.060 42.059 -0.040 0.000 1.221 51 L HN -0.101 nan 8.230 nan 0.000 0.430 52 R N 2.785 123.402 120.500 0.195 0.000 2.532 52 R HA 0.634 4.975 4.340 0.001 0.000 0.295 52 R C -0.774 175.544 176.300 0.029 0.000 0.968 52 R CA -0.379 55.781 56.100 0.100 0.000 0.916 52 R CB 1.662 31.995 30.300 0.054 0.000 1.124 52 R HN 0.653 nan 8.270 nan 0.000 0.463 53 S N 3.733 119.440 115.700 0.012 0.000 2.525 53 S HA 0.282 4.752 4.470 0.001 0.000 0.278 53 S C 0.628 175.216 174.600 -0.020 0.000 1.234 53 S CA -0.710 57.486 58.200 -0.005 0.000 1.058 53 S CB 0.752 63.962 63.200 0.016 0.000 0.983 53 S HN 0.685 nan 8.310 nan 0.000 0.495 54 L N 3.609 124.818 121.223 -0.023 0.000 2.769 54 L HA 0.289 4.630 4.340 0.001 0.000 0.240 54 L C 0.164 177.174 176.870 0.233 0.000 1.163 54 L CA -0.379 54.470 54.840 0.016 0.000 0.962 54 L CB -0.349 41.665 42.059 -0.076 0.000 1.258 54 L HN 0.525 nan 8.230 nan 0.000 0.513 55 N N 1.278 120.058 118.700 0.132 0.000 2.453 55 N HA 0.483 5.223 4.740 0.001 0.000 0.253 55 N C 0.673 176.299 175.510 0.193 0.000 1.252 55 N CA 0.955 54.088 53.050 0.138 0.000 0.917 55 N CB 1.243 39.753 38.487 0.037 0.000 1.117 55 N HN 0.283 nan 8.380 nan 0.000 0.442 56 G N 0.216 109.144 108.800 0.213 0.000 2.247 56 G HA2 -0.086 3.874 3.960 0.001 0.000 0.229 56 G HA3 -0.086 3.874 3.960 0.001 0.000 0.229 56 G C -1.572 173.521 174.900 0.323 0.000 1.345 56 G CA -0.803 44.422 45.100 0.208 0.000 1.100 56 G HN 0.472 nan 8.290 nan 0.000 0.473 57 E N -0.123 120.244 120.200 0.278 0.000 2.259 57 E HA 0.470 4.821 4.350 0.001 0.000 0.281 57 E C -0.994 175.862 176.600 0.426 0.000 1.037 57 E CA -0.043 56.538 56.400 0.302 0.000 0.854 57 E CB 1.119 30.922 29.700 0.171 0.000 1.051 57 E HN 0.365 nan 8.360 nan 0.000 0.409 58 W N 1.377 122.764 121.300 0.144 0.000 2.929 58 W HA 0.385 5.045 4.660 0.001 0.000 0.345 58 W C 0.035 176.674 176.519 0.200 0.000 1.151 58 W CA -0.748 56.712 57.345 0.192 0.000 1.111 58 W CB 0.889 30.515 29.460 0.278 0.000 1.449 58 W HN 0.178 nan 8.180 nan 0.000 0.572 59 R N 1.589 122.358 120.500 0.448 0.000 2.407 59 R HA 0.574 4.915 4.340 0.001 0.000 0.303 59 R C -1.466 175.068 176.300 0.390 0.000 0.981 59 R CA -0.855 55.446 56.100 0.335 0.000 0.905 59 R CB 1.194 31.640 30.300 0.244 0.000 1.099 59 R HN 0.481 nan 8.270 nan 0.000 0.459 60 F N 0.579 120.561 119.950 0.053 0.000 2.581 60 F HA 0.635 5.163 4.527 0.001 0.000 0.311 60 F C -1.492 174.162 175.800 -0.243 0.000 1.113 60 F CA -0.605 57.279 58.000 -0.194 0.000 0.935 60 F CB 1.983 40.741 39.000 -0.403 0.000 1.232 60 F HN 0.605 nan 8.300 nan 0.000 0.445 61 A N 4.684 126.764 122.820 -1.234 0.000 2.422 61 A HA 0.565 4.885 4.320 0.001 0.000 0.302 61 A C -2.361 174.361 177.584 -1.436 0.000 1.041 61 A CA -0.525 50.922 52.037 -0.983 0.000 0.708 61 A CB 0.713 19.449 19.000 -0.440 0.000 1.257 61 A HN 0.951 nan 8.150 nan 0.000 0.414 62 W N 2.636 123.148 121.300 -1.313 0.000 2.469 62 W HA 0.748 5.408 4.660 0.001 0.000 0.320 62 W C -1.785 174.129 176.519 -1.009 0.000 1.086 62 W CA -0.305 56.412 57.345 -1.047 0.000 1.211 62 W CB 1.031 30.151 29.460 -0.566 0.000 1.298 62 W HN 0.491 nan 8.180 nan 0.000 0.525 63 F N 6.233 125.465 119.950 -1.196 0.000 2.576 63 F HA 0.347 4.875 4.527 0.001 0.000 0.313 63 F C -1.235 173.658 175.800 -1.512 0.000 1.078 63 F CA -2.179 55.248 58.000 -0.955 0.000 0.921 63 F CB 1.952 40.559 39.000 -0.654 0.000 1.232 63 F HN 0.220 nan 8.300 nan 0.000 0.459 64 P HA 0.062 nan 4.420 nan 0.000 0.223 64 P C -0.252 176.927 177.300 -0.203 0.000 1.151 64 P CA 0.969 63.843 63.100 -0.377 0.000 0.787 64 P CB 0.799 32.545 31.700 0.077 0.000 0.788 65 A N -0.513 122.196 122.820 -0.185 0.000 2.608 65 A HA 0.502 4.823 4.320 0.001 0.000 0.292 65 A C -2.415 175.066 177.584 -0.173 0.000 1.066 65 A CA -1.032 50.938 52.037 -0.112 0.000 0.676 65 A CB 0.539 19.540 19.000 0.002 0.000 1.277 65 A HN -0.261 nan 8.150 nan 0.000 0.413 66 P HA -0.131 nan 4.420 nan 0.000 0.220 66 P C 0.628 177.831 177.300 -0.161 0.000 1.148 66 P CA 1.439 64.397 63.100 -0.237 0.000 0.803 66 P CB 0.282 31.798 31.700 -0.306 0.000 0.782 67 E N 0.290 120.457 120.200 -0.055 0.000 2.333 67 E HA -0.045 4.305 4.350 0.001 0.000 0.198 67 E C 2.045 178.592 176.600 -0.088 0.000 1.007 67 E CA 1.162 57.544 56.400 -0.029 0.000 0.845 67 E CB -0.841 28.877 29.700 0.030 0.000 0.766 67 E HN 0.278 nan 8.360 nan 0.000 0.507 68 A N 0.222 122.963 122.820 -0.133 0.000 2.238 68 A HA 0.105 4.426 4.320 0.001 0.000 0.210 68 A C 0.725 178.085 177.584 -0.375 0.000 1.179 68 A CA -0.171 51.793 52.037 -0.122 0.000 0.827 68 A CB 0.329 19.346 19.000 0.029 0.000 0.856 68 A HN 0.042 nan 8.150 nan 0.000 0.488 69 V N 3.637 123.164 119.914 -0.645 0.000 2.479 69 V HA 0.161 4.282 4.120 0.001 0.000 0.281 69 V C -1.853 173.918 176.094 -0.538 0.000 1.031 69 V CA -1.300 60.367 62.300 -1.055 0.000 1.038 69 V CB 0.461 31.704 31.823 -0.965 0.000 0.981 69 V HN 0.405 nan 8.190 nan 0.000 0.478 70 P HA 0.106 nan 4.420 nan 0.000 0.271 70 P C 0.594 177.833 177.300 -0.102 0.000 1.216 70 P CA -0.213 62.786 63.100 -0.168 0.000 0.776 70 P CB 1.154 32.813 31.700 -0.069 0.000 0.881 71 E N 2.137 122.291 120.200 -0.076 0.000 2.153 71 E HA -0.178 4.173 4.350 0.001 0.000 0.194 71 E C 1.608 178.175 176.600 -0.055 0.000 0.988 71 E CA 1.540 57.897 56.400 -0.072 0.000 0.811 71 E CB -0.055 29.608 29.700 -0.060 0.000 0.746 71 E HN 0.527 nan 8.360 nan 0.000 0.466 72 S N -0.025 115.663 115.700 -0.020 0.000 2.419 72 S HA -0.207 4.263 4.470 0.001 0.000 0.235 72 S C 1.683 176.281 174.600 -0.003 0.000 1.019 72 S CA 0.898 59.090 58.200 -0.013 0.000 0.982 72 S CB -0.894 62.312 63.200 0.010 0.000 0.789 72 S HN 0.619 nan 8.310 nan 0.000 0.490 73 W N 2.532 123.734 121.300 -0.163 0.000 2.331 73 W HA -0.034 4.627 4.660 0.001 0.000 0.291 73 W C 1.647 178.048 176.519 -0.197 0.000 1.214 73 W CA 1.127 58.370 57.345 -0.169 0.000 1.228 73 W CB -0.431 28.890 29.460 -0.231 0.000 1.135 73 W HN 0.286 nan 8.180 nan 0.000 0.537 74 L N 0.216 121.195 121.223 -0.407 0.000 2.201 74 L HA -0.160 4.180 4.340 0.001 0.000 0.212 74 L C 2.406 179.034 176.870 -0.403 0.000 1.105 74 L CA 1.228 55.686 54.840 -0.637 0.000 0.775 74 L CB -0.704 41.017 42.059 -0.564 0.000 0.913 74 L HN -0.043 nan 8.230 nan 0.000 0.440 75 E N -0.784 119.268 120.200 -0.248 0.000 2.201 75 E HA 0.036 4.386 4.350 0.001 0.000 0.193 75 E C 0.590 177.107 176.600 -0.138 0.000 0.957 75 E CA 0.666 56.974 56.400 -0.154 0.000 0.858 75 E CB 0.571 30.217 29.700 -0.090 0.000 0.816 75 E HN 0.523 nan 8.360 nan 0.000 0.475 76 C N -0.439 118.783 119.300 -0.129 0.000 3.291 76 C HA 0.539 5.000 4.460 0.001 0.000 0.316 76 C C -0.286 174.677 174.990 -0.045 0.000 1.391 76 C CA -1.399 57.569 59.018 -0.083 0.000 1.394 76 C CB 1.123 28.838 27.740 -0.040 0.000 1.744 76 C HN 0.101 nan 8.230 nan 0.000 0.461 77 D N 0.430 120.827 120.400 -0.006 0.000 2.472 77 D HA 0.323 4.964 4.640 0.001 0.000 0.237 77 D C -0.365 175.999 176.300 0.106 0.000 1.141 77 D CA 0.348 54.388 54.000 0.065 0.000 0.875 77 D CB 0.489 41.322 40.800 0.055 0.000 1.192 77 D HN 0.594 nan 8.370 nan 0.000 0.450 78 L N 6.071 127.400 121.223 0.178 0.000 2.281 78 L HA 0.272 4.612 4.340 0.001 0.000 0.285 78 L C -1.073 175.856 176.870 0.099 0.000 1.074 78 L CA -1.462 53.469 54.840 0.152 0.000 0.817 78 L CB 1.475 43.651 42.059 0.196 0.000 1.168 78 L HN 0.517 nan 8.230 nan 0.000 0.434 79 P HA -0.161 nan 4.420 nan 0.000 0.221 79 P C 0.624 177.951 177.300 0.046 0.000 1.145 79 P CA 1.067 64.198 63.100 0.052 0.000 0.795 79 P CB 0.424 32.147 31.700 0.039 0.000 0.775 80 E N 0.308 120.533 120.200 0.042 0.000 2.347 80 E HA 0.089 4.440 4.350 0.001 0.000 0.196 80 E C 1.258 177.866 176.600 0.014 0.000 1.008 80 E CA 0.256 56.666 56.400 0.017 0.000 0.852 80 E CB -0.871 28.825 29.700 -0.007 0.000 0.783 80 E HN 0.290 nan 8.360 nan 0.000 0.505 81 A N 1.115 123.956 122.820 0.036 0.000 2.448 81 A HA 0.151 4.471 4.320 0.001 0.000 0.239 81 A C 0.038 177.675 177.584 0.089 0.000 1.080 81 A CA -0.096 51.967 52.037 0.043 0.000 0.779 81 A CB 0.293 19.344 19.000 0.085 0.000 1.026 81 A HN -0.044 nan 8.150 nan 0.000 0.499 82 D N -0.361 120.123 120.400 0.139 0.000 2.374 82 D HA 0.501 5.142 4.640 0.001 0.000 0.239 82 D C -0.762 175.655 176.300 0.194 0.000 0.991 82 D CA -0.047 54.058 54.000 0.175 0.000 0.960 82 D CB 1.582 42.539 40.800 0.262 0.000 1.284 82 D HN 0.402 nan 8.370 nan 0.000 0.512 83 T N 0.595 115.246 114.554 0.162 0.000 2.749 83 T HA 0.496 4.846 4.350 0.001 0.000 0.287 83 T C 0.135 174.931 174.700 0.159 0.000 0.970 83 T CA -0.574 61.627 62.100 0.169 0.000 0.980 83 T CB 0.779 69.721 68.868 0.123 0.000 0.924 83 T HN 0.274 nan 8.240 nan 0.000 0.456 84 V N 1.216 121.254 119.914 0.208 0.000 3.040 84 V HA 0.797 4.917 4.120 0.001 0.000 0.312 84 V C -0.261 175.958 176.094 0.209 0.000 1.115 84 V CA -1.087 61.306 62.300 0.156 0.000 0.998 84 V CB 1.631 33.563 31.823 0.182 0.000 1.042 84 V HN 0.528 nan 8.190 nan 0.000 0.433 85 V N 2.243 122.256 119.914 0.166 0.000 2.686 85 V HA 0.535 4.656 4.120 0.001 0.000 0.295 85 V C 0.092 176.263 176.094 0.128 0.000 1.055 85 V CA -0.053 62.338 62.300 0.152 0.000 1.050 85 V CB 1.251 33.128 31.823 0.090 0.000 0.984 85 V HN 0.769 nan 8.190 nan 0.000 0.482 86 V N 6.133 126.056 119.914 0.014 0.000 2.709 86 V HA 0.446 4.567 4.120 0.001 0.000 0.308 86 V C -2.298 173.697 176.094 -0.164 0.000 1.062 86 V CA -1.650 60.530 62.300 -0.200 0.000 0.901 86 V CB 2.515 33.892 31.823 -0.742 0.000 1.003 86 V HN 0.770 nan 8.190 nan 0.000 0.425 87 P HA 0.350 nan 4.420 nan 0.000 0.272 87 P C -0.646 176.591 177.300 -0.104 0.000 1.223 87 P CA 0.138 63.127 63.100 -0.184 0.000 0.784 87 P CB 1.398 32.998 31.700 -0.167 0.000 0.923 88 S N 0.353 116.001 115.700 -0.086 0.000 2.611 88 S HA 0.351 4.821 4.470 0.001 0.000 0.270 88 S C -1.403 173.125 174.600 -0.120 0.000 1.131 88 S CA -1.052 57.082 58.200 -0.109 0.000 0.826 88 S CB 0.236 63.338 63.200 -0.164 0.000 1.095 88 S HN 0.417 nan 8.310 nan 0.000 0.461 89 N N 0.951 119.518 118.700 -0.221 0.000 2.408 89 N HA 0.471 5.212 4.740 0.001 0.000 0.280 89 N C 0.461 175.794 175.510 -0.295 0.000 1.002 89 N CA -0.790 52.108 53.050 -0.253 0.000 0.907 89 N CB 0.748 39.060 38.487 -0.292 0.000 1.161 89 N HN 0.857 nan 8.380 nan 0.000 0.488 90 W N 2.181 123.324 121.300 -0.262 0.000 2.525 90 W HA -0.021 4.639 4.660 0.001 0.000 0.259 90 W C 0.899 177.391 176.519 -0.045 0.000 1.253 90 W CA 0.530 57.715 57.345 -0.266 0.000 1.262 90 W CB -0.294 29.009 29.460 -0.261 0.000 1.122 90 W HN 0.498 nan 8.180 nan 0.000 0.607 91 Q N 0.636 120.418 119.800 -0.029 0.000 2.167 91 Q HA -0.080 4.261 4.340 0.001 0.000 0.202 91 Q C 2.137 178.092 176.000 -0.075 0.000 0.970 91 Q CA 1.609 57.393 55.803 -0.033 0.000 0.855 91 Q CB -0.585 28.017 28.738 -0.228 0.000 0.911 91 Q HN 0.280 nan 8.270 nan 0.000 0.438 92 M N -0.619 118.900 119.600 -0.135 0.000 2.630 92 M HA -0.039 4.441 4.480 0.001 0.000 0.254 92 M C 0.474 176.857 176.300 0.139 0.000 1.092 92 M CA 1.280 56.534 55.300 -0.077 0.000 1.087 92 M CB -0.512 32.020 32.600 -0.113 0.000 1.453 92 M HN 0.377 nan 8.290 nan 0.000 0.509 93 H N -1.010 118.091 119.070 0.052 0.000 2.594 93 H HA 0.297 4.853 4.556 0.001 0.000 0.279 93 H C 1.250 176.492 175.328 -0.143 0.000 1.042 93 H CA 0.070 56.136 56.048 0.030 0.000 1.177 93 H CB 0.571 30.456 29.762 0.205 0.000 1.524 93 H HN 0.535 nan 8.280 nan 0.000 0.537 94 G N 0.786 109.602 108.800 0.027 0.000 2.148 94 G HA2 -0.385 3.576 3.960 0.001 0.000 0.254 94 G HA3 -0.385 3.576 3.960 0.001 0.000 0.254 94 G C 0.417 175.190 174.900 -0.211 0.000 0.981 94 G CA 0.489 45.530 45.100 -0.098 0.000 0.670 94 G HN 0.484 nan 8.290 nan 0.000 0.528 95 Y N 1.537 121.857 120.300 0.033 0.000 2.242 95 Y HA 0.226 4.776 4.550 0.001 0.000 0.291 95 Y C 1.722 177.396 175.900 -0.378 0.000 1.137 95 Y CA 1.706 59.716 58.100 -0.151 0.000 1.181 95 Y CB 0.189 38.655 38.460 0.011 0.000 0.989 95 Y HN 0.670 nan 8.280 nan 0.000 0.527 96 D N -2.071 118.378 120.400 0.080 0.000 2.665 96 D HA 0.494 5.134 4.640 0.001 0.000 0.287 96 D C -1.224 175.144 176.300 0.113 0.000 1.266 96 D CA -0.842 53.190 54.000 0.054 0.000 0.830 96 D CB 0.756 41.707 40.800 0.251 0.000 1.356 96 D HN -0.045 nan 8.370 nan 0.000 0.437 97 A N 0.062 122.955 122.820 0.121 0.000 2.327 97 A HA 0.693 5.013 4.320 0.001 0.000 0.283 97 A C -2.296 175.313 177.584 0.042 0.000 1.127 97 A CA -1.184 50.908 52.037 0.091 0.000 0.810 97 A CB 0.153 19.269 19.000 0.193 0.000 1.066 97 A HN 0.550 nan 8.150 nan 0.000 0.492 98 P HA 0.427 nan 4.420 nan 0.000 0.278 98 P C -0.957 176.512 177.300 0.282 0.000 1.238 98 P CA 0.015 63.070 63.100 -0.074 0.000 0.794 98 P CB 0.953 32.357 31.700 -0.493 0.000 0.955 99 I N 2.794 123.600 120.570 0.392 0.000 2.406 99 I HA 0.240 4.411 4.170 0.001 0.000 0.290 99 I C -0.453 175.814 176.117 0.251 0.000 0.999 99 I CA -0.974 60.543 61.300 0.362 0.000 1.124 99 I CB 1.405 39.564 38.000 0.265 0.000 1.289 99 I HN 0.303 nan 8.210 nan 0.000 0.441 100 Y N 6.417 126.632 120.300 -0.142 0.000 2.417 100 Y HA 0.527 5.078 4.550 0.001 0.000 0.336 100 Y C -0.285 175.440 175.900 -0.291 0.000 0.961 100 Y CA -0.501 57.247 58.100 -0.586 0.000 1.215 100 Y CB 1.172 38.799 38.460 -1.387 0.000 1.120 100 Y HN 0.535 nan 8.280 nan 0.000 0.499 101 T N 5.430 119.391 114.554 -0.988 0.000 2.912 101 T HA 0.263 4.613 4.350 0.001 0.000 0.299 101 T C 0.093 174.296 174.700 -0.828 0.000 1.052 101 T CA -0.617 60.973 62.100 -0.850 0.000 0.996 101 T CB 1.119 69.741 68.868 -0.409 0.000 1.070 101 T HN 0.756 nan 8.240 nan 0.000 0.465 102 N N 2.684 120.952 118.700 -0.720 0.000 2.288 102 N HA 0.047 4.788 4.740 0.001 0.000 0.199 102 N C 1.635 176.870 175.510 -0.459 0.000 1.043 102 N CA 1.601 54.368 53.050 -0.472 0.000 0.947 102 N CB -0.682 37.544 38.487 -0.434 0.000 1.140 102 N HN 0.396 nan 8.380 nan 0.000 0.490 103 V N 0.555 120.128 119.914 -0.569 0.000 2.341 103 V HA 0.051 4.171 4.120 0.001 0.000 0.240 103 V C 0.540 176.310 176.094 -0.541 0.000 1.035 103 V CA 1.063 62.942 62.300 -0.703 0.000 1.033 103 V CB -1.007 30.313 31.823 -0.838 0.000 0.678 103 V HN 0.357 nan 8.190 nan 0.000 0.464 104 T N 0.961 115.268 114.554 -0.413 0.000 2.866 104 T HA 0.066 4.416 4.350 0.001 0.000 0.293 104 T C -0.328 174.221 174.700 -0.252 0.000 1.005 104 T CA 0.344 62.278 62.100 -0.276 0.000 1.162 104 T CB -0.340 68.402 68.868 -0.209 0.000 0.968 104 T HN 0.186 nan 8.240 nan 0.000 0.530 105 Y N 4.908 125.097 120.300 -0.185 0.000 2.683 105 Y HA 0.092 4.642 4.550 0.001 0.000 0.340 105 Y C -0.648 175.114 175.900 -0.230 0.000 1.245 105 Y CA -1.543 56.438 58.100 -0.199 0.000 1.485 105 Y CB 0.442 38.778 38.460 -0.205 0.000 1.328 105 Y HN 0.516 nan 8.280 nan 0.000 0.603 106 P HA -0.016 nan 4.420 nan 0.000 0.241 106 P C -0.282 176.803 177.300 -0.358 0.000 1.191 106 P CA 1.126 64.118 63.100 -0.181 0.000 0.771 106 P CB 0.108 31.756 31.700 -0.087 0.000 0.929 107 I N -5.003 115.319 120.570 -0.414 0.000 3.002 107 I HA 0.490 4.661 4.170 0.001 0.000 0.310 107 I C -0.633 175.342 176.117 -0.237 0.000 1.087 107 I CA -1.221 59.807 61.300 -0.453 0.000 1.017 107 I CB 1.811 39.370 38.000 -0.736 0.000 1.226 107 I HN -0.459 nan 8.210 nan 0.000 0.443 108 T N 2.802 117.261 114.554 -0.159 0.000 2.908 108 T HA 0.121 4.472 4.350 0.001 0.000 0.301 108 T C 0.250 174.923 174.700 -0.046 0.000 1.019 108 T CA -0.198 61.861 62.100 -0.069 0.000 1.152 108 T CB 0.538 69.389 68.868 -0.028 0.000 0.966 108 T HN 0.380 nan 8.240 nan 0.000 0.540 109 V N 4.998 124.900 119.914 -0.021 0.000 2.341 109 V HA 0.175 4.295 4.120 0.001 0.000 0.248 109 V C 0.738 176.871 176.094 0.064 0.000 1.107 109 V CA -0.069 62.240 62.300 0.015 0.000 1.069 109 V CB -0.532 31.288 31.823 -0.006 0.000 1.177 109 V HN 0.846 nan 8.190 nan 0.000 0.492 110 N N 5.973 124.770 118.700 0.161 0.000 2.673 110 N HA 0.247 4.988 4.740 0.001 0.000 0.265 110 N C -2.735 172.856 175.510 0.136 0.000 1.709 110 N CA -1.300 51.833 53.050 0.139 0.000 0.792 110 N CB 1.466 40.053 38.487 0.167 0.000 1.286 110 N HN 0.288 nan 8.380 nan 0.000 0.506 111 P HA 0.151 nan 4.420 nan 0.000 0.266 111 P C -2.165 174.978 177.300 -0.261 0.000 1.195 111 P CA -0.577 62.134 63.100 -0.648 0.000 0.768 111 P CB 0.780 31.931 31.700 -0.915 0.000 0.838 112 P HA 0.201 nan 4.420 nan 0.000 0.263 112 P C -0.346 176.859 177.300 -0.158 0.000 1.448 112 P CA -0.285 62.633 63.100 -0.304 0.000 0.983 112 P CB -0.046 31.453 31.700 -0.335 0.000 1.481 113 F N 1.155 121.194 119.950 0.149 0.000 2.389 113 F HA 0.270 4.797 4.527 0.001 0.000 0.337 113 F C 1.373 177.336 175.800 0.273 0.000 1.112 113 F CA -0.667 57.442 58.000 0.181 0.000 1.192 113 F CB 0.796 39.850 39.000 0.091 0.000 1.185 113 F HN -0.199 nan 8.300 nan 0.000 0.552 114 V N -0.506 119.671 119.914 0.438 0.000 3.113 114 V HA 0.695 4.815 4.120 0.001 0.000 0.316 114 V C -2.769 173.477 176.094 0.254 0.000 1.125 114 V CA -3.033 59.446 62.300 0.298 0.000 1.026 114 V CB 1.319 33.379 31.823 0.394 0.000 1.080 114 V HN 0.477 nan 8.190 nan 0.000 0.444 115 P HA 0.185 nan 4.420 nan 0.000 0.266 115 P C 1.073 178.512 177.300 0.230 0.000 1.195 115 P CA 0.536 63.726 63.100 0.149 0.000 0.768 115 P CB 0.585 32.344 31.700 0.099 0.000 0.838 116 T N -1.182 113.481 114.554 0.181 0.000 2.867 116 T HA -0.118 4.232 4.350 0.001 0.000 0.268 116 T C 0.480 175.292 174.700 0.186 0.000 1.057 116 T CA 0.900 63.113 62.100 0.188 0.000 1.136 116 T CB -0.569 68.375 68.868 0.127 0.000 0.874 116 T HN 0.410 nan 8.240 nan 0.000 0.466 117 E N 2.600 122.909 120.200 0.183 0.000 1.893 117 E HA 0.241 4.591 4.350 0.001 0.000 0.269 117 E C -0.680 176.079 176.600 0.264 0.000 1.129 117 E CA -0.419 56.095 56.400 0.190 0.000 0.904 117 E CB 0.058 29.873 29.700 0.192 0.000 1.077 117 E HN 0.228 nan 8.360 nan 0.000 0.407 118 N N 4.007 122.836 118.700 0.215 0.000 2.564 118 N HA 0.217 4.958 4.740 0.001 0.000 0.248 118 N C -2.783 172.758 175.510 0.051 0.000 0.986 118 N CA -2.577 50.624 53.050 0.253 0.000 0.921 118 N CB 0.975 39.594 38.487 0.221 0.000 1.136 118 N HN 0.040 nan 8.380 nan 0.000 0.509 119 P HA -0.022 nan 4.420 nan 0.000 0.259 119 P C -0.896 176.297 177.300 -0.179 0.000 1.163 119 P CA 0.638 63.690 63.100 -0.080 0.000 0.760 119 P CB 0.404 32.346 31.700 0.402 0.000 0.762 120 T N 2.990 117.175 114.554 -0.615 0.000 2.809 120 T HA 0.538 4.889 4.350 0.001 0.000 0.284 120 T C 0.291 174.493 174.700 -0.830 0.000 0.992 120 T CA -0.569 61.232 62.100 -0.498 0.000 0.957 120 T CB 1.481 70.091 68.868 -0.430 0.000 0.942 120 T HN 0.320 nan 8.240 nan 0.000 0.439 121 G N 1.130 109.512 108.800 -0.697 0.000 2.347 121 G HA2 0.463 4.423 3.960 0.001 0.000 0.314 121 G HA3 0.463 4.423 3.960 0.001 0.000 0.314 121 G C -0.214 174.468 174.900 -0.364 0.000 1.126 121 G CA -0.356 44.250 45.100 -0.824 0.000 0.929 121 G HN 0.864 nan 8.290 nan 0.000 0.441 122 C N 3.487 122.339 119.300 -0.746 0.000 2.203 122 C HA 0.431 4.891 4.460 0.001 0.000 0.325 122 C C -0.463 174.492 174.990 -0.057 0.000 1.156 122 C CA -0.958 57.734 59.018 -0.544 0.000 1.597 122 C CB -1.762 25.220 27.740 -1.262 0.000 2.148 122 C HN 0.627 nan 8.230 nan 0.000 0.472 123 Y N 2.056 122.624 120.300 0.447 0.000 2.352 123 Y HA 0.605 5.156 4.550 0.001 0.000 0.326 123 Y C 0.851 177.215 175.900 0.774 0.000 1.166 123 Y CA -0.102 58.388 58.100 0.649 0.000 1.182 123 Y CB 1.354 40.175 38.460 0.601 0.000 1.216 123 Y HN 0.670 nan 8.280 nan 0.000 0.474 124 S N 2.410 118.592 115.700 0.804 0.000 2.550 124 S HA 0.788 5.259 4.470 0.001 0.000 0.270 124 S C -1.945 172.727 174.600 0.119 0.000 1.145 124 S CA -0.812 57.633 58.200 0.408 0.000 0.852 124 S CB 2.069 65.414 63.200 0.243 0.000 1.119 124 S HN 0.573 nan 8.310 nan 0.000 0.465 125 L N 1.087 122.203 121.223 -0.179 0.000 2.493 125 L HA 0.718 5.058 4.340 0.001 0.000 0.265 125 L C -1.094 175.726 176.870 -0.082 0.000 0.954 125 L CA 0.109 54.693 54.840 -0.427 0.000 0.844 125 L CB 2.318 43.600 42.059 -1.295 0.000 1.302 125 L HN 0.919 nan 8.230 nan 0.000 0.405 126 T N 5.921 120.448 114.554 -0.045 0.000 2.756 126 T HA 0.695 5.046 4.350 0.001 0.000 0.290 126 T C -0.739 173.997 174.700 0.060 0.000 0.985 126 T CA -0.017 62.078 62.100 -0.008 0.000 0.955 126 T CB 0.035 68.874 68.868 -0.049 0.000 0.930 126 T HN 0.438 nan 8.240 nan 0.000 0.451 127 F N 1.081 120.933 119.950 -0.163 0.000 2.664 127 F HA 0.771 5.298 4.527 0.001 0.000 0.317 127 F C -0.635 175.090 175.800 -0.126 0.000 1.108 127 F CA -1.583 56.325 58.000 -0.153 0.000 0.957 127 F CB 1.356 40.244 39.000 -0.186 0.000 1.365 127 F HN 0.328 nan 8.300 nan 0.000 0.475 128 N N 0.294 118.925 118.700 -0.115 0.000 2.473 128 N HA 0.619 5.360 4.740 0.001 0.000 0.291 128 N C -1.929 173.474 175.510 -0.178 0.000 1.083 128 N CA -0.421 52.511 53.050 -0.196 0.000 0.951 128 N CB 1.887 40.307 38.487 -0.112 0.000 1.164 128 N HN 0.645 nan 8.380 nan 0.000 0.480 129 V N 2.286 122.064 119.914 -0.226 0.000 2.525 129 V HA 0.226 4.347 4.120 0.001 0.000 0.299 129 V C -0.642 175.357 176.094 -0.158 0.000 1.034 129 V CA -0.890 61.287 62.300 -0.204 0.000 0.863 129 V CB 1.384 33.133 31.823 -0.125 0.000 0.999 129 V HN 0.798 nan 8.190 nan 0.000 0.423 130 D N 2.503 122.779 120.400 -0.207 0.000 2.345 130 D HA 0.139 4.780 4.640 0.001 0.000 0.247 130 D C 1.480 177.806 176.300 0.043 0.000 1.108 130 D CA 0.135 54.087 54.000 -0.079 0.000 0.894 130 D CB 1.167 41.924 40.800 -0.072 0.000 1.203 130 D HN 0.797 nan 8.370 nan 0.000 0.430 131 E N 1.394 121.623 120.200 0.048 0.000 2.130 131 E HA -0.307 4.044 4.350 0.001 0.000 0.196 131 E C 1.538 178.216 176.600 0.130 0.000 0.998 131 E CA 1.510 57.956 56.400 0.077 0.000 0.806 131 E CB -0.315 29.413 29.700 0.046 0.000 0.738 131 E HN 0.430 nan 8.360 nan 0.000 0.459 132 S N -0.042 115.745 115.700 0.145 0.000 2.419 132 S HA -0.182 4.288 4.470 0.001 0.000 0.235 132 S C 1.449 176.152 174.600 0.173 0.000 1.019 132 S CA 0.996 59.282 58.200 0.142 0.000 0.982 132 S CB -0.721 62.559 63.200 0.134 0.000 0.789 132 S HN 0.498 nan 8.310 nan 0.000 0.490 133 W N 1.401 122.676 121.300 -0.040 0.000 2.584 133 W HA 0.407 5.068 4.660 0.001 0.000 0.264 133 W C 1.925 178.535 176.519 0.152 0.000 1.264 133 W CA -0.104 57.240 57.345 -0.002 0.000 1.306 133 W CB -0.311 29.185 29.460 0.060 0.000 1.110 133 W HN 0.297 nan 8.180 nan 0.000 0.606 134 L N -0.781 120.624 121.223 0.305 0.000 2.463 134 L HA 0.037 4.378 4.340 0.001 0.000 0.219 134 L C 2.170 179.127 176.870 0.145 0.000 1.088 134 L CA 0.417 55.385 54.840 0.213 0.000 0.849 134 L CB -0.648 41.507 42.059 0.158 0.000 1.012 134 L HN -0.073 nan 8.230 nan 0.000 0.468 135 Q N 0.966 120.840 119.800 0.124 0.000 2.124 135 Q HA -0.127 4.214 4.340 0.001 0.000 0.202 135 Q C 0.347 176.396 176.000 0.081 0.000 0.977 135 Q CA 1.201 57.054 55.803 0.084 0.000 0.850 135 Q CB 0.185 28.962 28.738 0.065 0.000 0.901 135 Q HN 0.609 nan 8.270 nan 0.000 0.429 136 E N -1.950 118.316 120.200 0.111 0.000 2.445 136 E HA 0.527 4.877 4.350 0.001 0.000 0.279 136 E C -0.237 176.460 176.600 0.162 0.000 1.018 136 E CA -0.592 55.869 56.400 0.101 0.000 0.816 136 E CB 1.536 31.279 29.700 0.072 0.000 1.356 136 E HN 0.080 nan 8.360 nan 0.000 0.462 137 G N 0.632 109.466 108.800 0.057 0.000 2.741 137 G HA2 -0.258 3.703 3.960 0.001 0.000 0.222 137 G HA3 -0.258 3.703 3.960 0.001 0.000 0.222 137 G C -0.838 173.954 174.900 -0.180 0.000 1.364 137 G CA 0.066 45.107 45.100 -0.098 0.000 0.866 137 G HN 0.739 nan 8.290 nan 0.000 0.555 138 Q N -0.436 119.123 119.800 -0.402 0.000 2.331 138 Q HA 0.625 4.965 4.340 0.001 0.000 0.267 138 Q C -0.848 174.985 176.000 -0.277 0.000 1.006 138 Q CA -0.466 55.196 55.803 -0.234 0.000 0.818 138 Q CB 1.363 30.009 28.738 -0.154 0.000 1.276 138 Q HN 0.593 nan 8.270 nan 0.000 0.450 139 T N 5.231 119.783 114.554 -0.004 0.000 2.756 139 T HA 0.442 4.792 4.350 0.001 0.000 0.290 139 T C -0.598 174.208 174.700 0.176 0.000 0.985 139 T CA -0.597 61.604 62.100 0.168 0.000 0.955 139 T CB 0.399 69.506 68.868 0.397 0.000 0.930 139 T HN 0.620 nan 8.240 nan 0.000 0.451 140 R N 3.016 123.610 120.500 0.156 0.000 2.778 140 R HA 0.779 5.119 4.340 0.001 0.000 0.277 140 R C -1.042 175.352 176.300 0.158 0.000 0.977 140 R CA -0.984 55.208 56.100 0.153 0.000 0.950 140 R CB 1.544 31.909 30.300 0.107 0.000 1.165 140 R HN 0.562 nan 8.270 nan 0.000 0.474 141 I N 2.558 123.223 120.570 0.158 0.000 2.525 141 I HA 0.458 4.628 4.170 0.001 0.000 0.301 141 I C -1.089 175.058 176.117 0.049 0.000 0.992 141 I CA -1.324 60.014 61.300 0.064 0.000 1.162 141 I CB 1.394 39.432 38.000 0.062 0.000 1.332 141 I HN 0.639 nan 8.210 nan 0.000 0.458 142 I N 7.109 127.600 120.570 -0.131 0.000 2.447 142 I HA 0.288 4.459 4.170 0.001 0.000 0.287 142 I C -1.332 174.604 176.117 -0.301 0.000 1.023 142 I CA -0.382 60.859 61.300 -0.098 0.000 1.083 142 I CB 1.534 39.500 38.000 -0.056 0.000 1.245 142 I HN 0.401 nan 8.210 nan 0.000 0.434 143 F N 4.532 124.469 119.950 -0.022 0.000 2.308 143 F HA 0.279 4.807 4.527 0.001 0.000 0.370 143 F C 1.301 176.991 175.800 -0.184 0.000 1.100 143 F CA -0.512 57.403 58.000 -0.143 0.000 1.108 143 F CB 0.708 39.588 39.000 -0.200 0.000 1.293 143 F HN 0.456 nan 8.300 nan 0.000 0.478 144 D N 2.328 122.644 120.400 -0.140 0.000 2.264 144 D HA 0.027 4.667 4.640 0.001 0.000 0.208 144 D C 1.033 177.160 176.300 -0.287 0.000 0.966 144 D CA 0.904 54.778 54.000 -0.210 0.000 0.864 144 D CB 0.420 41.041 40.800 -0.298 0.000 0.933 144 D HN 0.625 nan 8.370 nan 0.000 0.499 145 G N -0.213 108.348 108.800 -0.399 0.000 2.505 145 G HA2 0.426 4.387 3.960 0.001 0.000 0.292 145 G HA3 0.426 4.387 3.960 0.001 0.000 0.292 145 G C -1.407 173.176 174.900 -0.528 0.000 1.332 145 G CA -0.403 44.314 45.100 -0.638 0.000 1.286 145 G HN -0.053 nan 8.290 nan 0.000 0.606 146 V N 2.736 122.561 119.914 -0.149 0.000 2.525 146 V HA 0.521 4.641 4.120 0.001 0.000 0.299 146 V C -0.800 175.383 176.094 0.148 0.000 1.034 146 V CA -1.193 61.048 62.300 -0.098 0.000 0.863 146 V CB 1.952 33.488 31.823 -0.479 0.000 0.999 146 V HN 0.680 nan 8.190 nan 0.000 0.423 147 N N 2.422 121.216 118.700 0.158 0.000 2.446 147 N HA 0.322 5.062 4.740 0.001 0.000 0.265 147 N C 0.621 176.079 175.510 -0.086 0.000 0.975 147 N CA 0.186 53.239 53.050 0.005 0.000 0.928 147 N CB 2.177 40.520 38.487 -0.240 0.000 1.160 147 N HN 0.714 nan 8.380 nan 0.000 0.495 148 S N 1.830 117.511 115.700 -0.032 0.000 2.526 148 S HA 0.550 5.021 4.470 0.001 0.000 0.220 148 S C 0.303 174.963 174.600 0.100 0.000 1.017 148 S CA -0.036 58.191 58.200 0.044 0.000 0.930 148 S CB 0.394 63.630 63.200 0.061 0.000 0.856 148 S HN 0.620 nan 8.310 nan 0.000 0.497 149 A N 0.890 123.779 122.820 0.114 0.000 2.606 149 A HA 0.800 5.120 4.320 0.001 0.000 0.293 149 A C -1.281 176.388 177.584 0.141 0.000 1.082 149 A CA -0.955 51.114 52.037 0.054 0.000 0.685 149 A CB 0.985 20.047 19.000 0.103 0.000 1.284 149 A HN 1.136 nan 8.150 nan 0.000 0.408 150 F N -0.514 119.249 119.950 -0.311 0.000 2.719 150 F HA 0.733 5.260 4.527 0.001 0.000 0.309 150 F C -1.350 174.319 175.800 -0.218 0.000 1.138 150 F CA -0.744 57.151 58.000 -0.175 0.000 0.943 150 F CB 1.132 40.019 39.000 -0.189 0.000 1.304 150 F HN 0.627 nan 8.300 nan 0.000 0.445 151 H N 2.152 121.322 119.070 0.166 0.000 2.492 151 H HA 0.699 5.255 4.556 0.001 0.000 0.345 151 H C -1.454 173.802 175.328 -0.119 0.000 1.136 151 H CA -0.727 55.299 56.048 -0.037 0.000 1.202 151 H CB 2.472 32.222 29.762 -0.020 0.000 1.524 151 H HN 0.806 nan 8.280 nan 0.000 0.506 152 L N 3.017 123.996 121.223 -0.407 0.000 2.365 152 L HA 0.430 4.771 4.340 0.001 0.000 0.273 152 L C -1.577 174.986 176.870 -0.513 0.000 1.000 152 L CA -0.494 54.157 54.840 -0.315 0.000 0.819 152 L CB 1.382 43.130 42.059 -0.519 0.000 1.284 152 L HN 0.499 nan 8.230 nan 0.000 0.418 153 W N 4.407 125.668 121.300 -0.065 0.000 2.936 153 W HA 0.562 5.222 4.660 0.001 0.000 0.338 153 W C -1.257 175.210 176.519 -0.087 0.000 1.121 153 W CA -0.791 56.507 57.345 -0.078 0.000 1.209 153 W CB 2.059 31.503 29.460 -0.028 0.000 1.420 153 W HN 0.598 nan 8.180 nan 0.000 0.516 154 C N 5.240 124.626 119.300 0.144 0.000 2.381 154 C HA 0.296 4.757 4.460 0.001 0.000 0.328 154 C C 0.275 175.380 174.990 0.192 0.000 1.190 154 C CA -0.316 58.785 59.018 0.138 0.000 1.369 154 C CB -0.761 27.023 27.740 0.073 0.000 2.029 154 C HN 0.802 nan 8.230 nan 0.000 0.448 155 N N 3.657 122.422 118.700 0.108 0.000 2.735 155 N HA -0.189 4.551 4.740 0.001 0.000 0.248 155 N C 0.974 176.534 175.510 0.083 0.000 1.083 155 N CA 1.991 55.080 53.050 0.063 0.000 0.703 155 N CB -1.314 37.215 38.487 0.070 0.000 1.005 155 N HN 1.802 nan 8.380 nan 0.000 0.550 156 G N -1.111 107.737 108.800 0.080 0.000 2.225 156 G HA2 -0.358 3.603 3.960 0.001 0.000 0.254 156 G HA3 -0.358 3.603 3.960 0.001 0.000 0.254 156 G C 0.106 175.167 174.900 0.267 0.000 0.988 156 G CA 0.528 45.676 45.100 0.081 0.000 0.625 156 G HN 0.537 nan 8.290 nan 0.000 0.527 157 R N -0.707 120.010 120.500 0.363 0.000 2.312 157 R HA 0.434 4.775 4.340 0.001 0.000 0.311 157 R C -0.107 176.499 176.300 0.509 0.000 1.004 157 R CA -0.834 55.554 56.100 0.479 0.000 0.902 157 R CB 0.989 31.590 30.300 0.502 0.000 1.073 157 R HN 0.235 nan 8.270 nan 0.000 0.457 158 W N 3.896 125.369 121.300 0.289 0.000 2.264 158 W HA 0.043 4.704 4.660 0.001 0.000 0.331 158 W C 0.058 176.463 176.519 -0.190 0.000 1.364 158 W CA 0.097 57.315 57.345 -0.211 0.000 1.253 158 W CB 0.617 29.950 29.460 -0.211 0.000 1.215 158 W HN 0.351 nan 8.180 nan 0.000 0.561 159 V N 5.444 124.604 119.914 -1.258 0.000 2.743 159 V HA 0.523 4.643 4.120 0.001 0.000 0.237 159 V C 1.069 176.181 176.094 -1.637 0.000 1.113 159 V CA 1.084 62.582 62.300 -1.337 0.000 1.141 159 V CB -0.372 30.718 31.823 -1.222 0.000 0.873 159 V HN 0.801 nan 8.190 nan 0.000 0.486 160 G N -1.848 105.799 108.800 -1.922 0.000 2.490 160 G HA2 0.490 4.451 3.960 0.001 0.000 0.308 160 G HA3 0.490 4.451 3.960 0.001 0.000 0.308 160 G C -2.437 172.054 174.900 -0.683 0.000 1.286 160 G CA -0.301 44.000 45.100 -1.332 0.000 0.825 160 G HN -0.013 nan 8.290 nan 0.000 0.479 161 Y N -0.569 119.507 120.300 -0.375 0.000 2.562 161 Y HA 0.708 5.259 4.550 0.001 0.000 0.345 161 Y C -0.090 175.604 175.900 -0.343 0.000 1.045 161 Y CA -0.099 57.739 58.100 -0.438 0.000 1.028 161 Y CB 2.331 40.694 38.460 -0.161 0.000 1.297 161 Y HN 1.208 nan 8.280 nan 0.000 0.463 162 G N 3.717 111.671 108.800 -1.410 0.000 2.742 162 G HA2 0.554 4.514 3.960 0.001 0.000 0.296 162 G HA3 0.554 4.514 3.960 0.001 0.000 0.296 162 G C -2.161 172.274 174.900 -0.775 0.000 1.436 162 G CA -0.825 43.767 45.100 -0.846 0.000 0.928 162 G HN 0.624 nan 8.290 nan 0.000 0.520 163 Q N -0.173 119.426 119.800 -0.335 0.000 2.552 163 Q HA 0.600 4.941 4.340 0.001 0.000 0.289 163 Q C -1.320 174.678 176.000 -0.005 0.000 1.097 163 Q CA -0.797 54.929 55.803 -0.129 0.000 0.812 163 Q CB 2.612 31.328 28.738 -0.038 0.000 1.460 163 Q HN 0.660 nan 8.270 nan 0.000 0.452 164 D N -0.194 120.240 120.400 0.058 0.000 4.303 164 D HA -0.093 4.548 4.640 0.001 0.000 0.230 164 D C -0.509 175.852 176.300 0.101 0.000 1.172 164 D CA 0.454 54.504 54.000 0.082 0.000 1.001 164 D CB -0.563 40.269 40.800 0.053 0.000 0.641 164 D HN 0.546 nan 8.370 nan 0.000 0.296 165 S N 3.179 118.953 115.700 0.124 0.000 2.547 165 S HA -0.081 4.390 4.470 0.001 0.000 0.235 165 S C 1.552 176.291 174.600 0.233 0.000 0.980 165 S CA 0.573 58.881 58.200 0.179 0.000 0.941 165 S CB 0.249 63.526 63.200 0.127 0.000 0.763 165 S HN 0.458 nan 8.310 nan 0.000 0.532 166 R N 0.170 120.763 120.500 0.154 0.000 2.543 166 R HA 0.434 4.775 4.340 0.001 0.000 0.323 166 R C -0.355 176.005 176.300 0.099 0.000 1.002 166 R CA 0.053 56.245 56.100 0.154 0.000 1.106 166 R CB 0.143 30.553 30.300 0.183 0.000 1.280 166 R HN 0.330 nan 8.270 nan 0.000 0.549 167 L N 1.780 123.031 121.223 0.047 0.000 2.371 167 L HA 0.506 4.847 4.340 0.001 0.000 0.262 167 L C -2.358 174.490 176.870 -0.036 0.000 1.006 167 L CA -2.267 52.572 54.840 -0.001 0.000 0.818 167 L CB 3.124 45.177 42.059 -0.009 0.000 1.354 167 L HN -0.200 nan 8.230 nan 0.000 0.415 168 P HA 0.093 nan 4.420 nan 0.000 0.271 168 P C -0.958 176.317 177.300 -0.042 0.000 1.216 168 P CA -0.215 62.844 63.100 -0.069 0.000 0.776 168 P CB 1.290 32.915 31.700 -0.125 0.000 0.881 169 S N 1.989 117.731 115.700 0.069 0.000 2.456 169 S HA 0.308 4.778 4.470 0.001 0.000 0.316 169 S C -0.400 174.219 174.600 0.032 0.000 1.089 169 S CA -0.526 57.700 58.200 0.043 0.000 1.101 169 S CB 0.774 64.179 63.200 0.342 0.000 0.995 169 S HN 0.382 nan 8.310 nan 0.000 0.468 170 E N 2.000 122.011 120.200 -0.316 0.000 2.222 170 E HA 0.568 4.919 4.350 0.001 0.000 0.267 170 E C -1.444 174.806 176.600 -0.582 0.000 0.884 170 E CA -0.526 55.748 56.400 -0.210 0.000 0.764 170 E CB 1.594 31.252 29.700 -0.071 0.000 1.169 170 E HN 0.409 nan 8.360 nan 0.000 0.413 171 F N 0.703 120.714 119.950 0.102 0.000 2.565 171 F HA 0.211 4.738 4.527 0.001 0.000 0.313 171 F C 0.033 175.860 175.800 0.044 0.000 1.091 171 F CA -1.105 56.915 58.000 0.033 0.000 0.915 171 F CB 1.516 40.499 39.000 -0.028 0.000 1.208 171 F HN 0.269 nan 8.300 nan 0.000 0.453 172 D N 2.905 123.425 120.400 0.200 0.000 2.343 172 D HA 0.226 4.867 4.640 0.001 0.000 0.255 172 D C 0.285 176.720 176.300 0.225 0.000 1.187 172 D CA 0.320 54.426 54.000 0.177 0.000 0.875 172 D CB 1.033 41.921 40.800 0.146 0.000 1.136 172 D HN 0.593 nan 8.370 nan 0.000 0.469 173 L N 2.750 124.116 121.223 0.238 0.000 2.693 173 L HA 0.040 4.381 4.340 0.001 0.000 0.235 173 L C 2.157 179.244 176.870 0.362 0.000 1.127 173 L CA -0.184 54.841 54.840 0.307 0.000 0.914 173 L CB 0.155 42.360 42.059 0.243 0.000 1.193 173 L HN 0.261 nan 8.230 nan 0.000 0.502 174 S N 1.283 117.144 115.700 0.268 0.000 2.392 174 S HA -0.256 4.214 4.470 0.001 0.000 0.232 174 S C 1.981 176.677 174.600 0.159 0.000 1.041 174 S CA 1.825 60.143 58.200 0.196 0.000 1.026 174 S CB -0.096 63.180 63.200 0.126 0.000 0.845 174 S HN 0.563 nan 8.310 nan 0.000 0.465 175 A N -0.754 122.152 122.820 0.143 0.000 2.275 175 A HA 0.399 4.719 4.320 0.001 0.000 0.212 175 A C 1.274 178.742 177.584 -0.192 0.000 1.201 175 A CA 0.082 52.083 52.037 -0.060 0.000 0.843 175 A CB -0.282 18.605 19.000 -0.188 0.000 0.873 175 A HN 0.465 nan 8.150 nan 0.000 0.492 176 F N -0.393 119.595 119.950 0.064 0.000 2.678 176 F HA 0.356 4.883 4.527 0.001 0.000 0.291 176 F C 0.777 176.609 175.800 0.053 0.000 1.123 176 F CA -0.102 57.934 58.000 0.060 0.000 1.395 176 F CB 0.002 39.042 39.000 0.067 0.000 1.121 176 F HN -0.024 nan 8.300 nan 0.000 0.592 177 L N 0.708 122.071 121.223 0.234 0.000 2.456 177 L HA 0.467 4.807 4.340 0.001 0.000 0.257 177 L C -0.081 176.828 176.870 0.064 0.000 1.162 177 L CA -0.430 54.491 54.840 0.135 0.000 0.808 177 L CB 0.844 42.998 42.059 0.158 0.000 1.136 177 L HN -0.038 nan 8.230 nan 0.000 0.466 178 R N 0.426 120.930 120.500 0.006 0.000 2.771 178 R HA 0.637 4.978 4.340 0.001 0.000 0.274 178 R C -0.988 175.290 176.300 -0.037 0.000 0.987 178 R CA -0.964 55.129 56.100 -0.011 0.000 0.908 178 R CB 1.737 32.020 30.300 -0.029 0.000 1.213 178 R HN 0.678 nan 8.270 nan 0.000 0.468 179 A N 1.248 124.056 122.820 -0.021 0.000 2.511 179 A HA 0.514 4.834 4.320 0.001 0.000 0.242 179 A C 0.947 178.489 177.584 -0.069 0.000 1.069 179 A CA 1.166 53.184 52.037 -0.031 0.000 0.763 179 A CB -0.440 18.553 19.000 -0.010 0.000 1.001 179 A HN 0.954 nan 8.150 nan 0.000 0.498 180 G N 1.131 109.874 108.800 -0.096 0.000 2.578 180 G HA2 -0.171 3.789 3.960 0.001 0.000 0.232 180 G HA3 -0.171 3.789 3.960 0.001 0.000 0.232 180 G C 0.074 174.862 174.900 -0.186 0.000 1.176 180 G CA 0.218 45.248 45.100 -0.116 0.000 0.968 180 G HN 1.128 nan 8.290 nan 0.000 0.583 181 E N 1.251 121.347 120.200 -0.174 0.000 2.360 181 E HA 0.440 4.791 4.350 0.001 0.000 0.269 181 E C -0.235 176.186 176.600 -0.299 0.000 1.022 181 E CA -0.274 55.989 56.400 -0.229 0.000 0.887 181 E CB 0.151 29.760 29.700 -0.152 0.000 0.990 181 E HN 0.449 nan 8.360 nan 0.000 0.426 182 N N 3.134 121.543 118.700 -0.485 0.000 2.329 182 N HA 0.328 5.069 4.740 0.001 0.000 0.282 182 N C -1.321 173.938 175.510 -0.419 0.000 1.198 182 N CA -0.688 52.054 53.050 -0.514 0.000 0.790 182 N CB 2.111 40.103 38.487 -0.826 0.000 1.579 182 N HN 0.392 nan 8.380 nan 0.000 0.475 183 R N 1.620 122.022 120.500 -0.164 0.000 2.532 183 R HA 0.510 4.851 4.340 0.001 0.000 0.297 183 R C -1.305 175.038 176.300 0.072 0.000 0.984 183 R CA -0.478 55.602 56.100 -0.032 0.000 0.884 183 R CB 1.126 31.377 30.300 -0.081 0.000 1.182 183 R HN 0.481 nan 8.270 nan 0.000 0.442 184 L N 2.978 124.291 121.223 0.150 0.000 2.334 184 L HA 0.756 5.097 4.340 0.001 0.000 0.275 184 L C -0.289 176.636 176.870 0.091 0.000 1.036 184 L CA -0.904 54.036 54.840 0.168 0.000 0.807 184 L CB 1.972 44.152 42.059 0.203 0.000 1.231 184 L HN 0.755 nan 8.230 nan 0.000 0.438 185 A N 2.976 125.866 122.820 0.117 0.000 2.357 185 A HA 0.721 5.042 4.320 0.001 0.000 0.295 185 A C -1.051 176.818 177.584 0.476 0.000 1.121 185 A CA -0.438 51.572 52.037 -0.043 0.000 0.742 185 A CB 1.398 19.925 19.000 -0.788 0.000 1.181 185 A HN 0.368 nan 8.150 nan 0.000 0.454 186 V N 3.572 123.934 119.914 0.747 0.000 2.407 186 V HA 0.432 4.553 4.120 0.001 0.000 0.291 186 V C -0.006 176.601 176.094 0.855 0.000 1.018 186 V CA -0.266 62.466 62.300 0.719 0.000 0.842 186 V CB 1.426 33.489 31.823 0.401 0.000 0.996 186 V HN 0.958 nan 8.190 nan 0.000 0.426 187 M N 6.157 126.271 119.600 0.856 0.000 2.069 187 M HA 0.500 4.981 4.480 0.001 0.000 0.349 187 M C -1.269 175.269 176.300 0.397 0.000 1.194 187 M CA -0.327 55.292 55.300 0.532 0.000 1.081 187 M CB 0.912 33.868 32.600 0.593 0.000 1.500 187 M HN 0.472 nan 8.290 nan 0.000 0.438 188 V N 6.848 126.961 119.914 0.332 0.000 2.383 188 V HA 0.362 4.482 4.120 0.001 0.000 0.275 188 V C -0.068 176.184 176.094 0.263 0.000 1.036 188 V CA -0.599 61.901 62.300 0.333 0.000 0.889 188 V CB 1.274 33.374 31.823 0.463 0.000 0.985 188 V HN 0.780 nan 8.190 nan 0.000 0.459 189 L N 5.040 126.353 121.223 0.150 0.000 2.289 189 L HA 0.532 4.873 4.340 0.001 0.000 0.285 189 L C 1.497 178.387 176.870 0.034 0.000 1.049 189 L CA -0.396 54.462 54.840 0.030 0.000 0.804 189 L CB 1.283 43.261 42.059 -0.135 0.000 1.195 189 L HN 0.612 nan 8.230 nan 0.000 0.428 190 R N 2.716 123.180 120.500 -0.059 0.000 2.066 190 R HA -0.036 4.305 4.340 0.001 0.000 0.232 190 R C -0.345 175.655 176.300 -0.500 0.000 1.131 190 R CA 1.207 57.032 56.100 -0.460 0.000 0.955 190 R CB 0.211 30.052 30.300 -0.764 0.000 0.851 190 R HN 0.570 nan 8.270 nan 0.000 0.432 191 W N 0.445 121.810 121.300 0.107 0.000 2.551 191 W HA 0.403 5.064 4.660 0.001 0.000 0.330 191 W C -0.321 176.314 176.519 0.193 0.000 1.063 191 W CA -0.841 56.576 57.345 0.119 0.000 1.222 191 W CB 1.739 31.270 29.460 0.120 0.000 1.349 191 W HN 0.025 nan 8.180 nan 0.000 0.536 192 S N -0.960 115.029 115.700 0.482 0.000 2.643 192 S HA 0.198 4.668 4.470 0.001 0.000 0.270 192 S C 0.059 174.917 174.600 0.430 0.000 1.166 192 S CA -0.543 57.945 58.200 0.481 0.000 0.815 192 S CB 1.232 64.683 63.200 0.418 0.000 1.139 192 S HN 0.626 nan 8.310 nan 0.000 0.472 193 D N 0.398 121.054 120.400 0.426 0.000 2.309 193 D HA 0.067 4.708 4.640 0.001 0.000 0.212 193 D C 1.704 178.327 176.300 0.539 0.000 0.968 193 D CA 1.172 55.474 54.000 0.503 0.000 0.882 193 D CB -0.635 40.322 40.800 0.261 0.000 0.918 193 D HN 0.707 nan 8.370 nan 0.000 0.503 194 G N -0.017 109.013 108.800 0.384 0.000 2.471 194 G HA2 -0.211 3.750 3.960 0.001 0.000 0.219 194 G HA3 -0.211 3.750 3.960 0.001 0.000 0.219 194 G C 1.648 176.737 174.900 0.315 0.000 1.125 194 G CA 0.520 45.819 45.100 0.332 0.000 0.775 194 G HN 0.298 nan 8.290 nan 0.000 0.548 195 S N -0.119 115.756 115.700 0.293 0.000 2.442 195 S HA -0.074 4.396 4.470 0.001 0.000 0.236 195 S C 1.794 176.488 174.600 0.157 0.000 1.007 195 S CA 0.527 58.863 58.200 0.227 0.000 0.965 195 S CB -0.361 62.990 63.200 0.252 0.000 0.773 195 S HN 0.556 nan 8.310 nan 0.000 0.504 196 Y N 0.983 121.407 120.300 0.207 0.000 2.509 196 Y HA 0.140 4.690 4.550 0.001 0.000 0.293 196 Y C 1.529 177.525 175.900 0.160 0.000 1.133 196 Y CA 0.583 58.730 58.100 0.078 0.000 1.283 196 Y CB -0.133 38.222 38.460 -0.176 0.000 1.001 196 Y HN 0.201 nan 8.280 nan 0.000 0.555 197 L N -0.451 120.955 121.223 0.305 0.000 2.728 197 L HA 0.157 4.498 4.340 0.001 0.000 0.238 197 L C 0.008 177.010 176.870 0.220 0.000 1.143 197 L CA 0.340 55.319 54.840 0.230 0.000 0.937 197 L CB 0.188 42.388 42.059 0.234 0.000 1.225 197 L HN 0.113 nan 8.230 nan 0.000 0.507 198 E N -0.024 120.317 120.200 0.235 0.000 3.582 198 E HA 0.051 4.402 4.350 0.001 0.000 0.217 198 E C -0.518 176.184 176.600 0.170 0.000 1.092 198 E CA -0.067 56.456 56.400 0.205 0.000 1.365 198 E CB 0.503 30.314 29.700 0.186 0.000 1.278 198 E HN 0.025 nan 8.360 nan 0.000 0.439 199 D N 1.192 121.653 120.400 0.102 0.000 2.561 199 D HA 0.025 4.666 4.640 0.001 0.000 0.232 199 D C -0.178 176.110 176.300 -0.019 0.000 1.198 199 D CA -0.121 53.832 54.000 -0.079 0.000 0.826 199 D CB 0.159 40.675 40.800 -0.473 0.000 0.992 199 D HN 0.061 nan 8.370 nan 0.000 0.490 200 Q N 0.466 120.348 119.800 0.135 0.000 2.395 200 Q HA 0.096 4.436 4.340 0.001 0.000 0.271 200 Q C -0.109 176.010 176.000 0.198 0.000 1.026 200 Q CA 0.177 56.131 55.803 0.252 0.000 0.900 200 Q CB 0.569 29.617 28.738 0.516 0.000 1.266 200 Q HN 0.086 nan 8.270 nan 0.000 0.430 201 D N 3.026 123.576 120.400 0.249 0.000 2.455 201 D HA 0.198 4.838 4.640 0.001 0.000 0.234 201 D C -0.755 175.707 176.300 0.271 0.000 1.224 201 D CA 0.088 54.205 54.000 0.196 0.000 0.999 201 D CB -0.410 40.507 40.800 0.195 0.000 1.072 201 D HN 0.490 nan 8.370 nan 0.000 0.514 202 M N 0.272 119.982 119.600 0.184 0.000 3.084 202 M HA 0.405 4.886 4.480 0.001 0.000 0.273 202 M C -1.325 175.063 176.300 0.146 0.000 1.242 202 M CA -1.186 54.167 55.300 0.088 0.000 0.819 202 M CB 1.016 33.571 32.600 -0.075 0.000 1.625 202 M HN -0.080 nan 8.290 nan 0.000 0.493 203 W N 2.163 123.554 121.300 0.152 0.000 2.264 203 W HA 0.314 4.975 4.660 0.001 0.000 0.331 203 W C 0.202 176.739 176.519 0.030 0.000 1.364 203 W CA 0.058 57.481 57.345 0.130 0.000 1.253 203 W CB 0.359 29.838 29.460 0.032 0.000 1.215 203 W HN 0.272 nan 8.180 nan 0.000 0.561 204 R N 5.049 125.707 120.500 0.263 0.000 2.205 204 R HA 0.398 4.739 4.340 0.001 0.000 0.342 204 R C -0.079 176.228 176.300 0.012 0.000 1.058 204 R CA -0.149 56.035 56.100 0.139 0.000 0.904 204 R CB 0.075 30.524 30.300 0.248 0.000 1.089 204 R HN 0.571 nan 8.270 nan 0.000 0.471 205 M N 0.151 119.652 119.600 -0.165 0.000 2.752 205 M HA 0.522 5.002 4.480 0.001 0.000 0.285 205 M C -0.053 175.908 176.300 -0.564 0.000 1.140 205 M CA -0.797 54.288 55.300 -0.358 0.000 0.767 205 M CB 2.167 34.559 32.600 -0.347 0.000 1.736 205 M HN 0.653 nan 8.290 nan 0.000 0.452 206 S N -1.289 113.955 115.700 -0.759 0.000 2.627 206 S HA 0.896 5.366 4.470 0.001 0.000 0.268 206 S C -0.644 173.471 174.600 -0.809 0.000 1.130 206 S CA -0.181 57.504 58.200 -0.860 0.000 0.819 206 S CB 1.463 63.974 63.200 -1.148 0.000 1.100 206 S HN 1.577 nan 8.310 nan 0.000 0.465 207 G N 0.026 108.588 108.800 -0.397 0.000 2.343 207 G HA2 0.155 4.116 3.960 0.001 0.000 0.562 207 G HA3 0.155 4.116 3.960 0.001 0.000 0.562 207 G C -1.314 173.583 174.900 -0.005 0.000 1.269 207 G CA -0.559 44.603 45.100 0.102 0.000 1.011 207 G HN 1.271 nan 8.290 nan 0.000 0.498 208 I N 2.188 122.610 120.570 -0.246 0.000 2.241 208 I HA 0.255 4.426 4.170 0.001 0.000 0.294 208 I C 1.282 177.276 176.117 -0.205 0.000 1.145 208 I CA -0.198 60.859 61.300 -0.405 0.000 1.261 208 I CB -0.277 37.222 38.000 -0.835 0.000 1.475 208 I HN 0.509 nan 8.210 nan 0.000 0.533 209 F N 3.763 123.566 119.950 -0.245 0.000 2.765 209 F HA 0.403 4.931 4.527 0.001 0.000 0.302 209 F C 0.820 176.539 175.800 -0.134 0.000 1.111 209 F CA -0.464 57.426 58.000 -0.184 0.000 1.359 209 F CB 0.038 38.937 39.000 -0.169 0.000 1.097 209 F HN 0.144 nan 8.300 nan 0.000 0.577 210 R N 0.601 120.693 120.500 -0.679 0.000 2.939 210 R HA 0.224 4.564 4.340 0.001 0.000 0.254 210 R C -0.620 175.471 176.300 -0.348 0.000 1.123 210 R CA -1.152 54.642 56.100 -0.510 0.000 1.020 210 R CB 0.822 30.704 30.300 -0.696 0.000 1.206 210 R HN -0.018 nan 8.270 nan 0.000 0.491 211 D N 0.712 120.955 120.400 -0.262 0.000 2.443 211 D HA 0.076 4.717 4.640 0.001 0.000 0.234 211 D C -0.495 175.656 176.300 -0.248 0.000 1.172 211 D CA 0.549 54.429 54.000 -0.200 0.000 0.878 211 D CB 0.656 41.375 40.800 -0.135 0.000 1.204 211 D HN -0.017 nan 8.370 nan 0.000 0.453 212 V N 0.906 120.682 119.914 -0.230 0.000 2.588 212 V HA 0.591 4.711 4.120 0.001 0.000 0.304 212 V C -0.041 175.922 176.094 -0.218 0.000 1.042 212 V CA -0.549 61.554 62.300 -0.329 0.000 0.877 212 V CB 1.785 33.411 31.823 -0.327 0.000 0.996 212 V HN 0.802 nan 8.190 nan 0.000 0.425 213 S N 4.348 119.899 115.700 -0.249 0.000 2.625 213 S HA 0.811 5.282 4.470 0.001 0.000 0.271 213 S C -1.464 173.077 174.600 -0.099 0.000 1.161 213 S CA -0.956 57.164 58.200 -0.134 0.000 0.820 213 S CB 1.754 64.916 63.200 -0.062 0.000 1.137 213 S HN 0.464 nan 8.310 nan 0.000 0.470 214 L N 1.383 122.609 121.223 0.005 0.000 2.341 214 L HA 0.676 5.016 4.340 0.001 0.000 0.278 214 L C -1.403 175.634 176.870 0.278 0.000 1.005 214 L CA -0.860 54.064 54.840 0.140 0.000 0.818 214 L CB 1.685 43.843 42.059 0.166 0.000 1.259 214 L HN 0.686 nan 8.230 nan 0.000 0.418 215 L N 3.556 124.921 121.223 0.237 0.000 2.333 215 L HA 0.479 4.819 4.340 0.001 0.000 0.280 215 L C -0.656 176.258 176.870 0.072 0.000 1.004 215 L CA -0.094 54.838 54.840 0.153 0.000 0.820 215 L CB 1.315 43.429 42.059 0.092 0.000 1.247 215 L HN 0.479 nan 8.230 nan 0.000 0.416 216 H N 5.378 124.299 119.070 -0.249 0.000 2.476 216 H HA 0.522 5.079 4.556 0.001 0.000 0.328 216 H C -1.332 173.808 175.328 -0.314 0.000 1.073 216 H CA -0.540 55.233 56.048 -0.460 0.000 1.229 216 H CB 1.192 30.204 29.762 -1.250 0.000 1.432 216 H HN 0.566 nan 8.280 nan 0.000 0.477 217 K N 5.365 125.393 120.400 -0.619 0.000 2.375 217 K HA 0.369 4.690 4.320 0.001 0.000 0.249 217 K C -2.792 173.567 176.600 -0.402 0.000 0.942 217 K CA -2.017 54.053 56.287 -0.363 0.000 0.806 217 K CB 2.263 34.614 32.500 -0.248 0.000 1.227 217 K HN 0.461 nan 8.250 nan 0.000 0.430 218 P HA 0.134 nan 4.420 nan 0.000 0.274 218 P C 0.532 177.758 177.300 -0.123 0.000 1.246 218 P CA -0.130 62.905 63.100 -0.109 0.000 0.795 218 P CB 0.509 32.181 31.700 -0.046 0.000 1.006 219 T N -1.092 113.414 114.554 -0.080 0.000 2.746 219 T HA -0.055 4.296 4.350 0.001 0.000 0.267 219 T C 0.577 175.234 174.700 -0.072 0.000 1.039 219 T CA 1.557 63.615 62.100 -0.070 0.000 1.142 219 T CB -0.640 68.204 68.868 -0.040 0.000 0.866 219 T HN 0.434 nan 8.240 nan 0.000 0.444 220 T N 3.891 118.408 114.554 -0.060 0.000 2.727 220 T HA 0.417 4.768 4.350 0.001 0.000 0.298 220 T C -0.147 174.506 174.700 -0.077 0.000 0.942 220 T CA -0.558 61.498 62.100 -0.073 0.000 0.997 220 T CB 0.489 69.331 68.868 -0.044 0.000 0.917 220 T HN 0.476 nan 8.240 nan 0.000 0.487 221 Q N 2.576 122.315 119.800 -0.101 0.000 2.501 221 Q HA 0.591 4.931 4.340 0.001 0.000 0.288 221 Q C -1.290 174.647 176.000 -0.105 0.000 1.051 221 Q CA -1.148 54.587 55.803 -0.113 0.000 0.788 221 Q CB 1.391 30.043 28.738 -0.145 0.000 1.469 221 Q HN 0.473 nan 8.270 nan 0.000 0.416 222 I N 2.744 123.227 120.570 -0.144 0.000 2.379 222 I HA 0.029 4.199 4.170 0.001 0.000 0.290 222 I C 0.802 176.834 176.117 -0.142 0.000 1.063 222 I CA -0.026 61.210 61.300 -0.108 0.000 1.351 222 I CB 1.123 39.010 38.000 -0.188 0.000 1.410 222 I HN 0.859 nan 8.210 nan 0.000 0.505 223 S N 2.721 118.443 115.700 0.038 0.000 2.503 223 S HA 0.176 4.647 4.470 0.001 0.000 0.215 223 S C 0.192 175.017 174.600 0.376 0.000 1.003 223 S CA -0.200 58.091 58.200 0.153 0.000 0.910 223 S CB 0.211 63.456 63.200 0.075 0.000 0.790 223 S HN 0.716 nan 8.310 nan 0.000 0.514 224 D N -0.399 120.230 120.400 0.381 0.000 2.728 224 D HA 0.516 5.157 4.640 0.001 0.000 0.249 224 D C -1.956 174.565 176.300 0.368 0.000 1.225 224 D CA -0.744 53.489 54.000 0.387 0.000 0.748 224 D CB 1.423 42.339 40.800 0.194 0.000 1.326 224 D HN 0.204 nan 8.370 nan 0.000 0.426 225 F N -0.479 119.566 119.950 0.157 0.000 2.639 225 F HA 0.546 5.073 4.527 0.001 0.000 0.320 225 F C -1.742 174.180 175.800 0.205 0.000 1.128 225 F CA -0.744 57.283 58.000 0.044 0.000 1.037 225 F CB 0.927 39.985 39.000 0.097 0.000 1.288 225 F HN 0.278 nan 8.300 nan 0.000 0.463 226 H N 2.475 121.594 119.070 0.083 0.000 2.495 226 H HA 0.768 5.324 4.556 0.001 0.000 0.348 226 H C -1.184 174.176 175.328 0.053 0.000 1.113 226 H CA -1.588 54.447 56.048 -0.022 0.000 1.195 226 H CB 2.623 32.363 29.762 -0.037 0.000 1.521 226 H HN 0.595 nan 8.280 nan 0.000 0.509 227 V N 2.224 122.219 119.914 0.135 0.000 2.417 227 V HA 0.659 4.780 4.120 0.001 0.000 0.291 227 V C -0.132 175.951 176.094 -0.018 0.000 1.024 227 V CA -0.591 61.748 62.300 0.064 0.000 0.861 227 V CB 1.197 33.053 31.823 0.054 0.000 0.985 227 V HN 0.938 nan 8.190 nan 0.000 0.436 228 A N 3.322 126.112 122.820 -0.051 0.000 2.454 228 A HA 0.984 5.305 4.320 0.001 0.000 0.302 228 A C -0.202 177.285 177.584 -0.161 0.000 1.079 228 A CA -0.527 51.462 52.037 -0.079 0.000 0.731 228 A CB 2.147 21.124 19.000 -0.037 0.000 1.299 228 A HN 0.950 nan 8.150 nan 0.000 0.413 229 T N -0.250 114.196 114.554 -0.180 0.000 2.937 229 T HA 0.703 5.054 4.350 0.001 0.000 0.297 229 T C -0.601 173.910 174.700 -0.314 0.000 0.991 229 T CA -0.724 61.180 62.100 -0.326 0.000 0.990 229 T CB 1.049 69.625 68.868 -0.486 0.000 0.991 229 T HN 0.708 nan 8.240 nan 0.000 0.440 230 R N 1.890 122.138 120.500 -0.419 0.000 2.787 230 R HA 0.818 5.159 4.340 0.001 0.000 0.271 230 R C -1.148 174.815 176.300 -0.560 0.000 0.993 230 R CA -0.806 55.135 56.100 -0.266 0.000 0.993 230 R CB 1.448 31.682 30.300 -0.110 0.000 1.155 230 R HN 0.543 nan 8.270 nan 0.000 0.486 231 F N -0.098 119.829 119.950 -0.038 0.000 2.640 231 F HA 0.326 4.854 4.527 0.001 0.000 0.324 231 F C 0.502 176.159 175.800 -0.238 0.000 1.077 231 F CA -1.227 56.696 58.000 -0.129 0.000 0.965 231 F CB 0.713 39.577 39.000 -0.226 0.000 1.351 231 F HN 0.504 nan 8.300 nan 0.000 0.487 232 N N -0.131 118.547 118.700 -0.036 0.000 2.405 232 N HA 0.093 4.834 4.740 0.001 0.000 0.269 232 N C 0.386 175.747 175.510 -0.249 0.000 1.249 232 N CA -0.092 52.899 53.050 -0.099 0.000 0.974 232 N CB 0.074 38.536 38.487 -0.042 0.000 1.204 232 N HN 0.671 nan 8.380 nan 0.000 0.565 233 D N -0.852 119.452 120.400 -0.159 0.000 2.116 233 D HA -0.272 4.368 4.640 0.001 0.000 0.193 233 D C 0.526 176.744 176.300 -0.138 0.000 0.998 233 D CA 1.873 55.781 54.000 -0.153 0.000 0.836 233 D CB -0.589 40.186 40.800 -0.041 0.000 0.951 233 D HN 0.748 nan 8.370 nan 0.000 0.449 234 D N -1.315 119.069 120.400 -0.026 0.000 2.388 234 D HA -0.013 4.627 4.640 0.001 0.000 0.221 234 D C 0.004 176.498 176.300 0.323 0.000 1.133 234 D CA -0.879 53.223 54.000 0.171 0.000 0.831 234 D CB -1.021 39.858 40.800 0.131 0.000 0.962 234 D HN 0.262 nan 8.370 nan 0.000 0.502 235 F N 0.542 120.543 119.950 0.084 0.000 3.093 235 F HA -0.271 4.257 4.527 0.001 0.000 0.287 235 F C 1.494 177.371 175.800 0.128 0.000 0.882 235 F CA 0.795 58.861 58.000 0.109 0.000 1.063 235 F CB -2.632 36.326 39.000 -0.071 0.000 1.097 235 F HN 0.206 nan 8.300 nan 0.000 0.604 236 S N -1.591 114.227 115.700 0.195 0.000 2.524 236 S HA 0.323 4.794 4.470 0.001 0.000 0.216 236 S C 0.632 175.290 174.600 0.098 0.000 0.987 236 S CA -0.150 58.130 58.200 0.133 0.000 0.909 236 S CB 0.532 63.785 63.200 0.088 0.000 0.781 236 S HN 0.466 nan 8.310 nan 0.000 0.521 237 R N 0.161 120.726 120.500 0.109 0.000 2.698 237 R HA 0.817 5.158 4.340 0.001 0.000 0.275 237 R C -1.384 174.948 176.300 0.054 0.000 1.001 237 R CA -0.388 55.740 56.100 0.048 0.000 0.896 237 R CB 2.243 32.549 30.300 0.010 0.000 1.218 237 R HN 0.244 nan 8.270 nan 0.000 0.462 238 A N 1.412 124.202 122.820 -0.050 0.000 2.587 238 A HA 0.723 5.044 4.320 0.001 0.000 0.293 238 A C -1.439 176.063 177.584 -0.137 0.000 1.087 238 A CA -0.655 51.270 52.037 -0.186 0.000 0.692 238 A CB 2.119 20.957 19.000 -0.270 0.000 1.291 238 A HN 0.330 nan 8.150 nan 0.000 0.407 239 V N 1.648 121.457 119.914 -0.175 0.000 2.443 239 V HA 0.423 4.543 4.120 0.001 0.000 0.293 239 V C -0.511 175.520 176.094 -0.105 0.000 1.021 239 V CA -0.322 61.916 62.300 -0.103 0.000 0.848 239 V CB 1.353 33.118 31.823 -0.097 0.000 0.998 239 V HN 0.802 nan 8.190 nan 0.000 0.424 240 L N 4.614 125.812 121.223 -0.042 0.000 2.265 240 L HA 0.592 4.933 4.340 0.001 0.000 0.288 240 L C 0.060 176.889 176.870 -0.069 0.000 1.058 240 L CA 0.013 54.804 54.840 -0.083 0.000 0.809 240 L CB 1.067 43.106 42.059 -0.034 0.000 1.179 240 L HN 0.755 nan 8.230 nan 0.000 0.429 241 E N 4.306 124.460 120.200 -0.077 0.000 2.145 241 E HA 0.619 4.970 4.350 0.001 0.000 0.270 241 E C -1.304 175.286 176.600 -0.016 0.000 0.906 241 E CA -0.713 55.660 56.400 -0.044 0.000 0.761 241 E CB 1.611 31.286 29.700 -0.042 0.000 1.116 241 E HN 0.713 nan 8.360 nan 0.000 0.408 242 A N 4.748 127.567 122.820 -0.002 0.000 2.310 242 A HA 0.287 4.607 4.320 0.001 0.000 0.304 242 A C -0.645 176.950 177.584 0.018 0.000 1.231 242 A CA -0.647 51.413 52.037 0.038 0.000 0.799 242 A CB 0.976 20.003 19.000 0.046 0.000 1.162 242 A HN 0.721 nan 8.150 nan 0.000 0.486 243 E N 2.648 122.860 120.200 0.020 0.000 2.174 243 E HA 0.532 4.882 4.350 0.001 0.000 0.282 243 E C -1.266 175.308 176.600 -0.042 0.000 0.992 243 E CA -0.338 56.033 56.400 -0.049 0.000 0.803 243 E CB 1.111 30.743 29.700 -0.114 0.000 1.090 243 E HN 0.390 nan 8.360 nan 0.000 0.396 244 V N 4.503 124.406 119.914 -0.019 0.000 2.555 244 V HA 0.319 4.440 4.120 0.001 0.000 0.302 244 V C -0.451 175.711 176.094 0.114 0.000 1.038 244 V CA -0.797 61.539 62.300 0.060 0.000 0.887 244 V CB 1.742 33.581 31.823 0.025 0.000 0.991 244 V HN 0.749 nan 8.190 nan 0.000 0.434 245 Q N 3.702 123.582 119.800 0.133 0.000 2.365 245 Q HA 0.827 5.168 4.340 0.001 0.000 0.269 245 Q C -0.796 175.279 176.000 0.125 0.000 1.061 245 Q CA -0.812 55.067 55.803 0.126 0.000 0.816 245 Q CB 2.621 31.366 28.738 0.011 0.000 1.325 245 Q HN 0.825 nan 8.270 nan 0.000 0.446 246 M N -0.783 118.817 119.600 -0.000 0.000 2.727 246 M HA 0.804 5.284 4.480 0.001 0.000 0.300 246 M C -1.366 174.837 176.300 -0.162 0.000 1.246 246 M CA -0.566 54.653 55.300 -0.136 0.000 0.835 246 M CB 1.476 33.824 32.600 -0.421 0.000 1.755 246 M HN 0.534 nan 8.290 nan 0.000 0.473 247 C N 0.264 119.478 119.300 -0.144 0.000 2.889 247 C HA 1.038 5.499 4.460 0.001 0.000 0.307 247 C C 0.525 175.435 174.990 -0.133 0.000 1.251 247 C CA 0.490 59.440 59.018 -0.114 0.000 1.593 247 C CB 1.210 28.913 27.740 -0.062 0.000 2.104 247 C HN 1.466 nan 8.230 nan 0.000 0.476 248 G N 1.395 110.128 108.800 -0.111 0.000 2.422 248 G HA2 0.045 4.005 3.960 0.001 0.000 0.607 248 G HA3 0.045 4.005 3.960 0.001 0.000 0.607 248 G C -1.043 173.785 174.900 -0.120 0.000 1.270 248 G CA -0.358 44.681 45.100 -0.102 0.000 0.992 248 G HN 0.984 nan 8.290 nan 0.000 0.499 249 E N -0.339 119.799 120.200 -0.104 0.000 2.289 249 E HA 0.474 4.825 4.350 0.001 0.000 0.278 249 E C 0.346 176.847 176.600 -0.166 0.000 1.032 249 E CA -0.588 55.746 56.400 -0.111 0.000 0.854 249 E CB 0.416 30.072 29.700 -0.074 0.000 1.046 249 E HN 0.481 nan 8.360 nan 0.000 0.409 250 L N 5.181 126.298 121.223 -0.177 0.000 2.367 250 L HA 0.330 4.670 4.340 0.001 0.000 0.275 250 L C 0.173 176.908 176.870 -0.224 0.000 1.129 250 L CA -0.303 54.406 54.840 -0.218 0.000 0.839 250 L CB 0.459 42.412 42.059 -0.177 0.000 1.133 250 L HN 0.479 nan 8.230 nan 0.000 0.453 251 R N 1.949 122.256 120.500 -0.322 0.000 2.673 251 R HA 0.213 4.553 4.340 0.001 0.000 0.281 251 R C -0.073 175.975 176.300 -0.420 0.000 0.991 251 R CA -0.821 54.988 56.100 -0.485 0.000 0.896 251 R CB 1.452 31.128 30.300 -1.040 0.000 1.201 251 R HN 0.511 nan 8.270 nan 0.000 0.457 252 D N 1.228 121.468 120.400 -0.266 0.000 2.265 252 D HA -0.160 4.481 4.640 0.001 0.000 0.208 252 D C 1.419 177.688 176.300 -0.051 0.000 0.977 252 D CA 1.596 55.533 54.000 -0.106 0.000 0.871 252 D CB 0.163 40.948 40.800 -0.025 0.000 0.925 252 D HN 0.591 nan 8.370 nan 0.000 0.485 253 Y N -0.063 120.251 120.300 0.024 0.000 2.546 253 Y HA 0.264 4.815 4.550 0.001 0.000 0.287 253 Y C 0.872 176.782 175.900 0.016 0.000 1.158 253 Y CA -0.507 57.605 58.100 0.020 0.000 1.307 253 Y CB -0.844 37.628 38.460 0.021 0.000 1.036 253 Y HN -0.196 nan 8.280 nan 0.000 0.532 254 L N 2.831 124.033 121.223 -0.036 0.000 2.456 254 L HA 0.240 4.581 4.340 0.001 0.000 0.272 254 L C 0.188 177.072 176.870 0.022 0.000 1.189 254 L CA 0.130 55.010 54.840 0.067 0.000 0.846 254 L CB 0.414 42.514 42.059 0.068 0.000 1.111 254 L HN 0.203 nan 8.230 nan 0.000 0.475 255 R N 2.121 122.528 120.500 -0.154 0.000 2.774 255 R HA 0.687 5.028 4.340 0.001 0.000 0.272 255 R C -1.536 174.426 176.300 -0.562 0.000 1.000 255 R CA -0.803 55.049 56.100 -0.413 0.000 0.906 255 R CB 2.208 32.170 30.300 -0.564 0.000 1.227 255 R HN 0.263 nan 8.270 nan 0.000 0.468 256 V N 0.966 120.592 119.914 -0.480 0.000 2.577 256 V HA 0.485 4.605 4.120 0.001 0.000 0.303 256 V C -0.529 175.494 176.094 -0.118 0.000 1.042 256 V CA -0.540 61.566 62.300 -0.322 0.000 0.872 256 V CB 2.334 33.885 31.823 -0.453 0.000 0.998 256 V HN 0.730 nan 8.190 nan 0.000 0.423 257 T N 4.155 118.744 114.554 0.059 0.000 2.812 257 T HA 0.592 4.942 4.350 0.001 0.000 0.282 257 T C -0.656 174.061 174.700 0.029 0.000 0.990 257 T CA -0.381 61.776 62.100 0.094 0.000 0.960 257 T CB 1.683 70.665 68.868 0.190 0.000 0.948 257 T HN 0.324 nan 8.240 nan 0.000 0.438 258 V N 3.446 123.359 119.914 -0.003 0.000 2.409 258 V HA 0.564 4.684 4.120 0.001 0.000 0.291 258 V C -0.141 175.957 176.094 0.007 0.000 1.020 258 V CA -0.575 61.722 62.300 -0.005 0.000 0.848 258 V CB 1.735 33.544 31.823 -0.024 0.000 0.990 258 V HN 0.959 nan 8.190 nan 0.000 0.430 259 S N 5.079 120.812 115.700 0.053 0.000 2.503 259 S HA 0.760 5.231 4.470 0.001 0.000 0.301 259 S C -0.866 173.771 174.600 0.062 0.000 1.087 259 S CA -0.511 57.693 58.200 0.007 0.000 1.042 259 S CB 1.922 65.167 63.200 0.075 0.000 1.043 259 S HN 0.535 nan 8.310 nan 0.000 0.489 260 L N 2.794 123.959 121.223 -0.097 0.000 2.322 260 L HA 0.736 5.077 4.340 0.001 0.000 0.281 260 L C -2.022 174.811 176.870 -0.061 0.000 1.014 260 L CA -0.241 54.641 54.840 0.069 0.000 0.815 260 L CB 0.664 42.772 42.059 0.081 0.000 1.247 260 L HN 0.734 nan 8.230 nan 0.000 0.421 261 W N 3.475 124.888 121.300 0.189 0.000 2.736 261 W HA 0.634 5.294 4.660 0.001 0.000 0.335 261 W C -0.701 175.908 176.519 0.151 0.000 1.059 261 W CA -0.570 56.861 57.345 0.143 0.000 1.226 261 W CB 1.493 30.985 29.460 0.053 0.000 1.416 261 W HN 0.388 nan 8.180 nan 0.000 0.505 262 Q N 2.182 122.137 119.800 0.259 0.000 2.413 262 Q HA 0.553 4.893 4.340 0.001 0.000 0.258 262 Q C 0.512 176.541 176.000 0.047 0.000 1.037 262 Q CA 0.476 56.255 55.803 -0.040 0.000 0.764 262 Q CB 0.860 29.518 28.738 -0.133 0.000 1.217 262 Q HN 0.769 nan 8.270 nan 0.000 0.490 263 G N 3.712 112.531 108.800 0.032 0.000 2.556 263 G HA2 -0.380 3.580 3.960 0.001 0.000 0.283 263 G HA3 -0.380 3.580 3.960 0.001 0.000 0.283 263 G C 0.248 175.216 174.900 0.113 0.000 1.177 263 G CA 0.406 45.528 45.100 0.037 0.000 0.978 263 G HN 0.780 nan 8.290 nan 0.000 0.554 264 E N -0.263 120.005 120.200 0.112 0.000 2.419 264 E HA 0.381 4.731 4.350 0.001 0.000 0.190 264 E C 0.184 176.989 176.600 0.342 0.000 1.040 264 E CA 0.524 57.026 56.400 0.171 0.000 0.900 264 E CB 0.177 29.919 29.700 0.069 0.000 1.054 264 E HN 0.341 nan 8.360 nan 0.000 0.462 265 T N 1.443 116.180 114.554 0.304 0.000 2.771 265 T HA 0.116 4.466 4.350 0.001 0.000 0.281 265 T C -0.675 174.057 174.700 0.055 0.000 0.982 265 T CA -0.571 61.636 62.100 0.179 0.000 0.978 265 T CB 1.687 70.596 68.868 0.068 0.000 0.930 265 T HN 0.149 nan 8.240 nan 0.000 0.447 266 Q N 2.957 122.549 119.800 -0.347 0.000 2.323 266 Q HA 0.273 4.614 4.340 0.001 0.000 0.257 266 Q C 1.075 176.837 176.000 -0.397 0.000 1.022 266 Q CA -0.455 54.813 55.803 -0.891 0.000 0.919 266 Q CB 0.621 28.588 28.738 -1.285 0.000 1.220 266 Q HN 0.714 nan 8.270 nan 0.000 0.427 267 V N 1.116 120.878 119.914 -0.253 0.000 3.052 267 V HA 0.525 4.645 4.120 0.001 0.000 0.254 267 V C 0.341 176.355 176.094 -0.134 0.000 1.100 267 V CA 0.794 63.026 62.300 -0.113 0.000 1.112 267 V CB -0.102 31.736 31.823 0.025 0.000 0.738 267 V HN 0.627 nan 8.190 nan 0.000 0.469 268 A N -0.848 121.858 122.820 -0.190 0.000 2.605 268 A HA 0.794 5.114 4.320 0.001 0.000 0.294 268 A C -0.686 176.796 177.584 -0.171 0.000 1.062 268 A CA 0.246 52.195 52.037 -0.146 0.000 0.682 268 A CB 1.500 20.448 19.000 -0.088 0.000 1.278 268 A HN 0.687 nan 8.150 nan 0.000 0.410 269 S N -0.686 114.939 115.700 -0.124 0.000 2.537 269 S HA 0.813 5.283 4.470 0.001 0.000 0.270 269 S C -0.566 173.996 174.600 -0.064 0.000 1.142 269 S CA 0.220 58.358 58.200 -0.102 0.000 0.870 269 S CB 1.697 64.823 63.200 -0.122 0.000 1.112 269 S HN 2.315 nan 8.310 nan 0.000 0.466 270 G N 1.668 110.441 108.800 -0.045 0.000 2.719 270 G HA2 0.644 4.605 3.960 0.001 0.000 0.298 270 G HA3 0.644 4.605 3.960 0.001 0.000 0.298 270 G C -1.348 173.537 174.900 -0.026 0.000 1.411 270 G CA -0.407 44.670 45.100 -0.038 0.000 0.991 270 G HN 0.709 nan 8.290 nan 0.000 0.509 271 T N -0.143 114.398 114.554 -0.023 0.000 2.900 271 T HA 0.876 5.226 4.350 0.001 0.000 0.295 271 T C -0.349 174.321 174.700 -0.051 0.000 1.044 271 T CA 0.005 62.099 62.100 -0.011 0.000 0.995 271 T CB 1.871 70.769 68.868 0.049 0.000 1.072 271 T HN 1.655 nan 8.240 nan 0.000 0.473 272 A N 3.224 125.983 122.820 -0.103 0.000 2.597 272 A HA 0.862 5.182 4.320 0.001 0.000 0.292 272 A C -3.148 174.314 177.584 -0.203 0.000 1.057 272 A CA -1.388 50.574 52.037 -0.126 0.000 0.674 272 A CB 1.148 20.073 19.000 -0.125 0.000 1.278 272 A HN 0.537 nan 8.150 nan 0.000 0.416 273 P HA 0.556 nan 4.420 nan 0.000 0.278 273 P C -0.584 176.611 177.300 -0.175 0.000 1.266 273 P CA -0.269 62.753 63.100 -0.129 0.000 0.807 273 P CB 0.462 32.143 31.700 -0.033 0.000 1.094 274 F N -0.177 119.735 119.950 -0.063 0.000 2.444 274 F HA 0.463 4.991 4.527 0.001 0.000 0.331 274 F C 1.494 177.277 175.800 -0.029 0.000 1.167 274 F CA 1.542 59.514 58.000 -0.046 0.000 1.262 274 F CB 0.211 39.179 39.000 -0.054 0.000 1.196 274 F HN 0.596 nan 8.300 nan 0.000 0.583 275 G N 1.396 110.313 108.800 0.195 0.000 2.951 275 G HA2 0.359 4.319 3.960 0.001 0.000 0.508 275 G HA3 0.359 4.319 3.960 0.001 0.000 0.508 275 G C -0.470 174.479 174.900 0.082 0.000 1.203 275 G CA -0.744 44.426 45.100 0.116 0.000 1.209 275 G HN 1.032 nan 8.290 nan 0.000 0.552 276 G N 0.702 109.570 108.800 0.114 0.000 2.588 276 G HA2 0.685 4.646 3.960 0.001 0.000 0.281 276 G HA3 0.685 4.646 3.960 0.001 0.000 0.281 276 G C 0.456 175.397 174.900 0.068 0.000 1.236 276 G CA 0.007 45.165 45.100 0.096 0.000 0.969 276 G HN 1.101 nan 8.290 nan 0.000 0.504 277 E N -0.814 119.420 120.200 0.056 0.000 2.392 277 E HA 0.163 4.513 4.350 0.001 0.000 0.259 277 E C -0.205 176.420 176.600 0.040 0.000 1.108 277 E CA -0.528 55.894 56.400 0.037 0.000 0.916 277 E CB 0.936 30.653 29.700 0.028 0.000 0.989 277 E HN 0.296 nan 8.360 nan 0.000 0.432 278 I N 2.497 123.079 120.570 0.019 0.000 2.683 278 I HA -0.099 4.071 4.170 0.001 0.000 0.286 278 I C 1.275 177.400 176.117 0.014 0.000 1.175 278 I CA 0.446 61.749 61.300 0.006 0.000 1.429 278 I CB 0.203 38.201 38.000 -0.003 0.000 1.371 278 I HN 0.648 nan 8.210 nan 0.000 0.569 279 I N 1.954 122.527 120.570 0.006 0.000 4.032 279 I HA 0.272 4.442 4.170 0.001 0.000 0.313 279 I C -0.093 176.025 176.117 0.002 0.000 1.272 279 I CA 0.116 61.429 61.300 0.022 0.000 1.307 279 I CB 0.475 38.513 38.000 0.063 0.000 1.155 279 I HN 0.654 nan 8.210 nan 0.000 0.431 280 D N -0.481 119.906 120.400 -0.021 0.000 2.838 280 D HA 0.165 4.806 4.640 0.001 0.000 0.334 280 D C 0.233 176.516 176.300 -0.028 0.000 1.315 280 D CA -0.516 53.471 54.000 -0.021 0.000 0.917 280 D CB 0.550 41.337 40.800 -0.022 0.000 1.435 280 D HN -0.125 nan 8.370 nan 0.000 0.517 281 E N -1.023 119.163 120.200 -0.024 0.000 2.273 281 E HA -0.080 4.270 4.350 0.001 0.000 0.198 281 E C 1.251 177.831 176.600 -0.032 0.000 1.002 281 E CA 0.993 57.379 56.400 -0.023 0.000 0.828 281 E CB -0.038 29.651 29.700 -0.018 0.000 0.747 281 E HN 0.206 nan 8.360 nan 0.000 0.491 282 R N -0.370 120.102 120.500 -0.046 0.000 2.334 282 R HA 0.281 4.621 4.340 0.001 0.000 0.216 282 R C 0.855 177.112 176.300 -0.072 0.000 0.905 282 R CA 0.691 56.756 56.100 -0.058 0.000 1.064 282 R CB 0.491 30.750 30.300 -0.068 0.000 1.046 282 R HN 0.224 nan 8.270 nan 0.000 0.508 283 G N -0.590 108.170 108.800 -0.067 0.000 2.501 283 G HA2 -0.120 3.840 3.960 0.001 0.000 0.213 283 G HA3 -0.120 3.840 3.960 0.001 0.000 0.213 283 G C -0.157 174.689 174.900 -0.090 0.000 1.158 283 G CA -0.585 44.475 45.100 -0.066 0.000 1.079 283 G HN 0.521 nan 8.290 nan 0.000 0.586 284 G N -2.085 106.653 108.800 -0.102 0.000 2.921 284 G HA2 0.647 4.607 3.960 0.001 0.000 0.291 284 G HA3 0.647 4.607 3.960 0.001 0.000 0.291 284 G C -1.589 173.203 174.900 -0.180 0.000 1.370 284 G CA -0.625 44.408 45.100 -0.111 0.000 0.847 284 G HN 0.831 nan 8.290 nan 0.000 0.532 285 Y N 1.128 121.437 120.300 0.015 0.000 2.539 285 Y HA 0.415 4.966 4.550 0.001 0.000 0.352 285 Y C 1.467 177.387 175.900 0.033 0.000 1.004 285 Y CA 0.285 58.397 58.100 0.020 0.000 1.278 285 Y CB 1.618 40.094 38.460 0.027 0.000 1.136 285 Y HN 0.553 nan 8.280 nan 0.000 0.528 286 A N 1.886 124.772 122.820 0.109 0.000 2.119 286 A HA -0.115 4.205 4.320 0.001 0.000 0.216 286 A C 1.347 178.992 177.584 0.102 0.000 1.152 286 A CA 1.200 53.288 52.037 0.085 0.000 0.708 286 A CB -0.238 18.773 19.000 0.017 0.000 0.805 286 A HN 0.785 nan 8.150 nan 0.000 0.460 287 D N -0.801 119.662 120.400 0.105 0.000 2.427 287 D HA 0.145 4.785 4.640 0.001 0.000 0.224 287 D C 0.425 176.816 176.300 0.152 0.000 1.157 287 D CA -0.072 53.918 54.000 -0.016 0.000 0.828 287 D CB -0.010 40.754 40.800 -0.059 0.000 0.974 287 D HN 0.376 nan 8.370 nan 0.000 0.498 288 R N -0.826 119.875 120.500 0.336 0.000 2.836 288 R HA 0.745 5.086 4.340 0.001 0.000 0.269 288 R C -1.638 174.806 176.300 0.241 0.000 1.010 288 R CA -1.163 55.117 56.100 0.301 0.000 0.930 288 R CB 3.036 33.388 30.300 0.087 0.000 1.218 288 R HN -0.021 nan 8.270 nan 0.000 0.473 289 V N 0.229 120.177 119.914 0.056 0.000 3.000 289 V HA 0.470 4.590 4.120 0.001 0.000 0.300 289 V C -1.624 174.420 176.094 -0.083 0.000 1.251 289 V CA -0.262 61.992 62.300 -0.076 0.000 0.972 289 V CB 2.705 34.347 31.823 -0.302 0.000 1.065 289 V HN 0.802 nan 8.190 nan 0.000 0.431 290 T N 7.560 122.075 114.554 -0.065 0.000 2.786 290 T HA 0.588 4.938 4.350 0.001 0.000 0.283 290 T C -0.866 173.799 174.700 -0.059 0.000 0.992 290 T CA -0.387 61.681 62.100 -0.053 0.000 0.954 290 T CB 0.963 69.812 68.868 -0.031 0.000 0.934 290 T HN 0.477 nan 8.240 nan 0.000 0.440 291 L N 3.832 125.020 121.223 -0.059 0.000 2.307 291 L HA 0.577 4.917 4.340 0.001 0.000 0.282 291 L C 0.500 177.346 176.870 -0.041 0.000 1.051 291 L CA -0.397 54.410 54.840 -0.055 0.000 0.804 291 L CB 1.250 43.273 42.059 -0.060 0.000 1.197 291 L HN 0.531 nan 8.230 nan 0.000 0.431 292 R N 4.337 124.813 120.500 -0.041 0.000 2.476 292 R HA 0.687 5.027 4.340 0.001 0.000 0.305 292 R C -1.157 175.120 176.300 -0.039 0.000 0.965 292 R CA -0.709 55.368 56.100 -0.039 0.000 0.867 292 R CB 2.092 32.369 30.300 -0.038 0.000 1.176 292 R HN 0.477 nan 8.270 nan 0.000 0.447 293 L N 2.653 123.854 121.223 -0.036 0.000 2.346 293 L HA 0.463 4.803 4.340 0.001 0.000 0.276 293 L C -0.223 176.625 176.870 -0.036 0.000 1.006 293 L CA -1.158 53.661 54.840 -0.036 0.000 0.817 293 L CB 1.781 43.824 42.059 -0.028 0.000 1.272 293 L HN 0.450 nan 8.230 nan 0.000 0.421 294 N N 2.036 120.709 118.700 -0.045 0.000 2.479 294 N HA 0.432 5.172 4.740 0.001 0.000 0.285 294 N C -0.894 174.575 175.510 -0.068 0.000 1.075 294 N CA -0.256 52.763 53.050 -0.053 0.000 0.967 294 N CB 2.629 41.087 38.487 -0.049 0.000 1.137 294 N HN 0.203 nan 8.380 nan 0.000 0.472 295 V N 2.193 122.050 119.914 -0.094 0.000 2.447 295 V HA 0.179 4.299 4.120 0.001 0.000 0.292 295 V C -0.289 175.721 176.094 -0.141 0.000 1.021 295 V CA -0.861 61.343 62.300 -0.160 0.000 0.850 295 V CB 1.769 33.388 31.823 -0.339 0.000 1.005 295 V HN 0.456 nan 8.190 nan 0.000 0.426 296 E N 3.016 123.160 120.200 -0.093 0.000 2.259 296 E HA 0.308 4.659 4.350 0.001 0.000 0.281 296 E C 0.216 176.789 176.600 -0.044 0.000 1.027 296 E CA -0.401 55.968 56.400 -0.052 0.000 0.838 296 E CB 0.590 30.271 29.700 -0.031 0.000 1.066 296 E HN 0.743 nan 8.360 nan 0.000 0.401 297 N N 1.250 119.944 118.700 -0.010 0.000 2.696 297 N HA -0.144 4.597 4.740 0.001 0.000 0.256 297 N C -2.472 173.035 175.510 -0.005 0.000 1.031 297 N CA 0.178 53.238 53.050 0.017 0.000 0.730 297 N CB -0.954 37.547 38.487 0.022 0.000 0.894 297 N HN 0.354 nan 8.380 nan 0.000 0.544 298 P HA 0.021 nan 4.420 nan 0.000 0.271 298 P C -0.520 176.805 177.300 0.041 0.000 1.218 298 P CA 0.222 63.209 63.100 -0.189 0.000 0.780 298 P CB 0.801 32.119 31.700 -0.637 0.000 0.901 299 K N 2.610 123.129 120.400 0.198 0.000 2.312 299 K HA 0.297 4.617 4.320 0.001 0.000 0.287 299 K C 0.253 177.014 176.600 0.268 0.000 1.062 299 K CA -0.445 55.958 56.287 0.194 0.000 0.934 299 K CB 0.319 32.912 32.500 0.156 0.000 1.027 299 K HN 0.435 nan 8.250 nan 0.000 0.478 300 L N 2.440 123.752 121.223 0.147 0.000 2.395 300 L HA 0.277 4.618 4.340 0.001 0.000 0.269 300 L C -0.011 176.934 176.870 0.124 0.000 1.133 300 L CA -0.738 54.184 54.840 0.136 0.000 0.812 300 L CB 0.342 42.333 42.059 -0.114 0.000 1.125 300 L HN 0.609 nan 8.230 nan 0.000 0.452 301 W N 3.177 124.499 121.300 0.038 0.000 2.417 301 W HA 0.503 5.163 4.660 0.001 0.000 0.317 301 W C -0.063 176.402 176.519 -0.090 0.000 1.121 301 W CA 0.067 57.425 57.345 0.022 0.000 1.208 301 W CB 1.372 30.902 29.460 0.116 0.000 1.253 301 W HN 0.628 nan 8.180 nan 0.000 0.533 302 S N 2.931 118.044 115.700 -0.978 0.000 2.611 302 S HA 0.618 5.089 4.470 0.001 0.000 0.268 302 S C 0.013 173.865 174.600 -1.247 0.000 1.156 302 S CA -0.366 57.341 58.200 -0.821 0.000 0.817 302 S CB 1.088 64.010 63.200 -0.463 0.000 1.122 302 S HN 1.017 nan 8.310 nan 0.000 0.466 303 A N 0.337 122.613 122.820 -0.907 0.000 2.066 303 A HA 0.102 4.423 4.320 0.001 0.000 0.218 303 A C 1.729 179.008 177.584 -0.508 0.000 1.157 303 A CA 1.332 52.826 52.037 -0.904 0.000 0.670 303 A CB -0.875 17.420 19.000 -1.176 0.000 0.804 303 A HN 0.861 nan 8.150 nan 0.000 0.453 304 E N -0.711 119.315 120.200 -0.289 0.000 2.072 304 E HA 0.058 4.408 4.350 0.001 0.000 0.190 304 E C -0.215 176.254 176.600 -0.217 0.000 0.982 304 E CA 0.710 57.005 56.400 -0.175 0.000 0.803 304 E CB 0.035 29.764 29.700 0.048 0.000 0.755 304 E HN 0.590 nan 8.360 nan 0.000 0.453 305 I N 1.900 122.307 120.570 -0.272 0.000 2.583 305 I HA 0.155 4.325 4.170 0.001 0.000 0.276 305 I C -2.420 173.464 176.117 -0.387 0.000 1.089 305 I CA -1.839 59.320 61.300 -0.236 0.000 1.103 305 I CB 2.111 40.026 38.000 -0.141 0.000 1.209 305 I HN -0.195 nan 8.210 nan 0.000 0.484 306 P HA 0.030 nan 4.420 nan 0.000 0.232 306 P C -0.529 176.763 177.300 -0.014 0.000 1.738 306 P CA -0.145 62.674 63.100 -0.468 0.000 0.948 306 P CB -0.278 31.312 31.700 -0.183 0.000 1.943 307 N N 1.575 120.289 118.700 0.023 0.000 2.454 307 N HA 0.128 4.868 4.740 0.001 0.000 0.260 307 N C 0.115 175.868 175.510 0.405 0.000 1.218 307 N CA 0.467 53.618 53.050 0.169 0.000 0.904 307 N CB 0.763 39.342 38.487 0.152 0.000 1.065 307 N HN 0.323 nan 8.380 nan 0.000 0.462 308 L N 2.404 123.789 121.223 0.270 0.000 2.388 308 L HA 0.470 4.810 4.340 0.001 0.000 0.264 308 L C -0.880 176.117 176.870 0.212 0.000 0.998 308 L CA -0.854 54.184 54.840 0.330 0.000 0.817 308 L CB 1.339 43.548 42.059 0.250 0.000 1.338 308 L HN 0.382 nan 8.230 nan 0.000 0.414 309 Y N 0.394 120.842 120.300 0.248 0.000 2.621 309 Y HA 0.653 5.204 4.550 0.001 0.000 0.334 309 Y C -0.178 175.843 175.900 0.201 0.000 1.074 309 Y CA -0.880 57.370 58.100 0.249 0.000 1.149 309 Y CB 1.650 40.322 38.460 0.353 0.000 1.302 309 Y HN 0.375 nan 8.280 nan 0.000 0.501 310 R N 1.070 121.805 120.500 0.392 0.000 2.393 310 R HA 0.795 5.135 4.340 0.001 0.000 0.315 310 R C -1.626 174.874 176.300 0.334 0.000 0.952 310 R CA -0.551 55.710 56.100 0.269 0.000 0.842 310 R CB 0.992 31.374 30.300 0.136 0.000 1.163 310 R HN 0.731 nan 8.270 nan 0.000 0.450 311 A N 3.928 126.885 122.820 0.228 0.000 2.288 311 A HA 0.627 4.947 4.320 0.001 0.000 0.320 311 A C -1.042 176.613 177.584 0.119 0.000 1.217 311 A CA -0.638 51.516 52.037 0.194 0.000 0.840 311 A CB 1.234 20.317 19.000 0.138 0.000 1.179 311 A HN 0.486 nan 8.150 nan 0.000 0.504 312 V N 3.454 123.445 119.914 0.129 0.000 2.448 312 V HA 0.382 4.502 4.120 0.001 0.000 0.295 312 V C -0.341 175.737 176.094 -0.027 0.000 1.025 312 V CA -0.515 61.802 62.300 0.028 0.000 0.859 312 V CB 1.652 33.513 31.823 0.063 0.000 0.988 312 V HN 0.622 nan 8.190 nan 0.000 0.431 313 V N 4.954 124.781 119.914 -0.145 0.000 2.347 313 V HA 0.429 4.549 4.120 0.001 0.000 0.280 313 V C -0.065 175.974 176.094 -0.091 0.000 1.021 313 V CA -0.538 61.652 62.300 -0.184 0.000 0.847 313 V CB 1.273 32.827 31.823 -0.448 0.000 0.990 313 V HN 0.932 nan 8.190 nan 0.000 0.444 314 E N 4.111 124.309 120.200 -0.003 0.000 2.158 314 E HA 0.514 4.864 4.350 0.001 0.000 0.271 314 E C -1.086 175.590 176.600 0.127 0.000 0.911 314 E CA -0.892 55.555 56.400 0.078 0.000 0.767 314 E CB 2.650 32.430 29.700 0.133 0.000 1.120 314 E HN 0.456 nan 8.360 nan 0.000 0.405 315 L N 4.404 125.685 121.223 0.097 0.000 2.282 315 L HA 0.419 4.760 4.340 0.001 0.000 0.288 315 L C -0.909 176.050 176.870 0.149 0.000 1.033 315 L CA 0.158 55.044 54.840 0.077 0.000 0.807 315 L CB 0.128 42.230 42.059 0.071 0.000 1.209 315 L HN 0.702 nan 8.230 nan 0.000 0.423 316 H N 0.113 119.228 119.070 0.076 0.000 2.918 316 H HA 0.725 5.281 4.556 0.001 0.000 0.303 316 H C -0.888 174.513 175.328 0.121 0.000 1.380 316 H CA -0.495 55.599 56.048 0.077 0.000 1.134 316 H CB 0.589 30.376 29.762 0.042 0.000 1.842 316 H HN 0.515 nan 8.280 nan 0.000 0.533 317 T N -2.025 112.692 114.554 0.270 0.000 2.918 317 T HA 0.552 4.903 4.350 0.001 0.000 0.283 317 T C 1.435 176.302 174.700 0.278 0.000 1.001 317 T CA -0.364 61.881 62.100 0.241 0.000 1.041 317 T CB 1.524 70.457 68.868 0.108 0.000 1.028 317 T HN 0.959 nan 8.240 nan 0.000 0.511 318 A N 1.482 124.423 122.820 0.202 0.000 1.978 318 A HA -0.132 4.188 4.320 0.001 0.000 0.220 318 A C 1.993 179.655 177.584 0.130 0.000 1.170 318 A CA 1.787 53.923 52.037 0.165 0.000 0.636 318 A CB -0.984 18.094 19.000 0.130 0.000 0.810 318 A HN 0.999 nan 8.150 nan 0.000 0.448 319 D N -1.962 118.487 120.400 0.081 0.000 2.378 319 D HA 0.158 4.799 4.640 0.001 0.000 0.227 319 D C 1.195 177.516 176.300 0.034 0.000 1.012 319 D CA 1.158 55.179 54.000 0.035 0.000 0.905 319 D CB -0.402 40.392 40.800 -0.010 0.000 0.895 319 D HN 0.854 nan 8.370 nan 0.000 0.532 320 G N -0.043 108.802 108.800 0.075 0.000 2.179 320 G HA2 -0.229 3.732 3.960 0.001 0.000 0.220 320 G HA3 -0.229 3.732 3.960 0.001 0.000 0.220 320 G C 0.323 175.221 174.900 -0.004 0.000 0.990 320 G CA 0.132 45.231 45.100 -0.003 0.000 0.646 320 G HN 0.399 nan 8.290 nan 0.000 0.517 321 T N 1.931 116.514 114.554 0.047 0.000 2.814 321 T HA 0.474 4.824 4.350 0.001 0.000 0.297 321 T C 0.341 175.095 174.700 0.090 0.000 0.956 321 T CA -0.031 62.093 62.100 0.040 0.000 1.123 321 T CB 1.777 70.657 68.868 0.021 0.000 0.902 321 T HN 0.563 nan 8.240 nan 0.000 0.528 322 L N 4.696 125.954 121.223 0.057 0.000 2.380 322 L HA 0.379 4.719 4.340 0.001 0.000 0.273 322 L C 0.656 177.576 176.870 0.083 0.000 1.138 322 L CA 0.329 55.221 54.840 0.086 0.000 0.832 322 L CB 0.202 42.285 42.059 0.040 0.000 1.124 322 L HN 0.703 nan 8.230 nan 0.000 0.454 323 I N 2.090 122.721 120.570 0.100 0.000 2.947 323 I HA 0.212 4.382 4.170 0.001 0.000 0.263 323 I C 0.183 176.325 176.117 0.043 0.000 1.130 323 I CA 0.265 61.606 61.300 0.068 0.000 1.448 323 I CB 0.307 38.351 38.000 0.075 0.000 1.222 323 I HN 0.796 nan 8.210 nan 0.000 0.453 324 E N 0.533 120.760 120.200 0.045 0.000 2.396 324 E HA 0.673 5.023 4.350 0.001 0.000 0.280 324 E C -1.785 174.836 176.600 0.035 0.000 1.065 324 E CA -0.941 55.474 56.400 0.025 0.000 0.831 324 E CB 1.922 31.602 29.700 -0.034 0.000 1.272 324 E HN 0.008 nan 8.360 nan 0.000 0.443 325 A N 1.878 124.740 122.820 0.070 0.000 2.449 325 A HA 0.724 5.044 4.320 0.001 0.000 0.302 325 A C -1.093 176.597 177.584 0.176 0.000 1.048 325 A CA -0.716 51.369 52.037 0.081 0.000 0.708 325 A CB 1.821 20.870 19.000 0.082 0.000 1.274 325 A HN 0.536 nan 8.150 nan 0.000 0.410 326 E N -0.361 119.875 120.200 0.060 0.000 2.393 326 E HA 0.870 5.220 4.350 0.001 0.000 0.265 326 E C -0.444 176.201 176.600 0.074 0.000 0.941 326 E CA -0.434 56.056 56.400 0.150 0.000 0.801 326 E CB 2.390 32.031 29.700 -0.099 0.000 1.313 326 E HN 1.360 nan 8.360 nan 0.000 0.435 327 A N -0.289 122.684 122.820 0.255 0.000 2.515 327 A HA 0.700 5.021 4.320 0.001 0.000 0.292 327 A C -1.287 176.510 177.584 0.355 0.000 1.065 327 A CA -0.261 51.869 52.037 0.156 0.000 0.641 327 A CB 0.589 19.611 19.000 0.037 0.000 1.306 327 A HN 0.930 nan 8.150 nan 0.000 0.441 328 C N -0.755 118.704 119.300 0.264 0.000 3.312 328 C HA 0.796 5.257 4.460 0.001 0.000 0.332 328 C C -1.489 173.595 174.990 0.157 0.000 1.340 328 C CA -0.932 58.230 59.018 0.241 0.000 1.265 328 C CB 1.045 28.942 27.740 0.262 0.000 1.563 328 C HN 0.837 nan 8.230 nan 0.000 0.471 329 D N 1.034 121.504 120.400 0.118 0.000 2.302 329 D HA 0.535 5.175 4.640 0.001 0.000 0.248 329 D C -0.400 175.945 176.300 0.074 0.000 1.094 329 D CA 0.166 54.236 54.000 0.116 0.000 0.897 329 D CB 1.881 42.752 40.800 0.119 0.000 1.200 329 D HN 0.548 nan 8.370 nan 0.000 0.429 330 V N 1.121 121.106 119.914 0.118 0.000 2.448 330 V HA 0.610 4.730 4.120 0.001 0.000 0.295 330 V C 0.583 176.729 176.094 0.086 0.000 1.025 330 V CA -0.860 61.457 62.300 0.028 0.000 0.859 330 V CB 1.953 33.770 31.823 -0.009 0.000 0.988 330 V HN 0.612 nan 8.190 nan 0.000 0.431 331 G N 3.294 112.042 108.800 -0.088 0.000 2.437 331 G HA2 0.592 4.553 3.960 0.001 0.000 0.315 331 G HA3 0.592 4.553 3.960 0.001 0.000 0.315 331 G C -0.896 174.063 174.900 0.098 0.000 1.210 331 G CA -0.386 44.725 45.100 0.019 0.000 0.943 331 G HN 0.449 nan 8.290 nan 0.000 0.471 332 F N 4.185 124.315 119.950 0.300 0.000 2.462 332 F HA 0.393 4.920 4.527 0.001 0.000 0.360 332 F C 1.187 177.239 175.800 0.421 0.000 1.134 332 F CA -0.020 58.218 58.000 0.397 0.000 1.148 332 F CB 0.564 39.801 39.000 0.394 0.000 1.147 332 F HN 0.442 nan 8.300 nan 0.000 0.550 333 R N 2.988 123.790 120.500 0.503 0.000 2.629 333 R HA 0.398 4.738 4.340 0.001 0.000 0.266 333 R C -1.834 174.600 176.300 0.223 0.000 1.051 333 R CA -0.800 55.423 56.100 0.205 0.000 0.895 333 R CB 1.553 32.016 30.300 0.272 0.000 1.246 333 R HN 0.578 nan 8.270 nan 0.000 0.459 334 E N 2.339 122.569 120.200 0.050 0.000 2.171 334 E HA 0.459 4.809 4.350 0.001 0.000 0.271 334 E C -1.216 175.447 176.600 0.106 0.000 0.916 334 E CA -0.903 55.616 56.400 0.198 0.000 0.774 334 E CB 2.078 31.987 29.700 0.347 0.000 1.128 334 E HN 0.402 nan 8.360 nan 0.000 0.403 335 V N 5.474 125.448 119.914 0.101 0.000 2.448 335 V HA 0.607 4.727 4.120 0.001 0.000 0.295 335 V C -0.255 175.879 176.094 0.066 0.000 1.025 335 V CA -0.583 61.748 62.300 0.051 0.000 0.859 335 V CB 1.304 33.136 31.823 0.014 0.000 0.988 335 V HN 0.771 nan 8.190 nan 0.000 0.431 336 R N 4.132 124.666 120.500 0.057 0.000 2.664 336 R HA 0.668 5.009 4.340 0.001 0.000 0.266 336 R C -2.145 174.183 176.300 0.047 0.000 1.046 336 R CA -0.909 55.228 56.100 0.062 0.000 0.885 336 R CB 1.606 31.959 30.300 0.087 0.000 1.254 336 R HN 0.506 nan 8.270 nan 0.000 0.465 337 I N 1.459 122.056 120.570 0.046 0.000 2.339 337 I HA 0.368 4.538 4.170 0.001 0.000 0.290 337 I C -0.474 175.667 176.117 0.041 0.000 0.994 337 I CA -0.449 60.873 61.300 0.036 0.000 1.191 337 I CB 1.761 39.784 38.000 0.038 0.000 1.343 337 I HN 0.665 nan 8.210 nan 0.000 0.458 338 E N 6.040 126.261 120.200 0.034 0.000 2.278 338 E HA 0.205 4.555 4.350 0.001 0.000 0.272 338 E C -0.386 176.230 176.600 0.026 0.000 0.890 338 E CA -0.580 55.841 56.400 0.036 0.000 0.770 338 E CB 1.180 30.907 29.700 0.045 0.000 1.212 338 E HN 0.590 nan 8.360 nan 0.000 0.415 339 N N 3.054 121.769 118.700 0.025 0.000 2.708 339 N HA -0.239 4.502 4.740 0.001 0.000 0.249 339 N C 0.408 175.926 175.510 0.014 0.000 1.097 339 N CA 2.041 55.103 53.050 0.020 0.000 0.710 339 N CB -1.175 37.322 38.487 0.017 0.000 1.032 339 N HN 0.952 nan 8.380 nan 0.000 0.551 340 G N -2.238 106.571 108.800 0.015 0.000 2.157 340 G HA2 -0.270 3.691 3.960 0.001 0.000 0.248 340 G HA3 -0.270 3.691 3.960 0.001 0.000 0.248 340 G C -0.147 174.752 174.900 -0.003 0.000 0.979 340 G CA 0.446 45.551 45.100 0.008 0.000 0.650 340 G HN 0.466 nan 8.290 nan 0.000 0.529 341 L N 0.016 121.238 121.223 -0.002 0.000 2.365 341 L HA 0.675 5.015 4.340 0.001 0.000 0.273 341 L C 0.087 176.950 176.870 -0.012 0.000 1.000 341 L CA -1.341 53.490 54.840 -0.015 0.000 0.819 341 L CB 1.910 43.961 42.059 -0.014 0.000 1.284 341 L HN 0.088 nan 8.230 nan 0.000 0.418 342 L N 4.631 125.835 121.223 -0.031 0.000 2.315 342 L HA 0.409 4.749 4.340 0.001 0.000 0.283 342 L C -0.798 176.051 176.870 -0.035 0.000 1.089 342 L CA 0.508 55.330 54.840 -0.031 0.000 0.833 342 L CB 0.140 42.168 42.059 -0.051 0.000 1.170 342 L HN 0.394 nan 8.230 nan 0.000 0.442 343 L N 5.876 127.093 121.223 -0.010 0.000 2.334 343 L HA 0.574 4.914 4.340 0.001 0.000 0.273 343 L C -0.756 176.112 176.870 -0.002 0.000 1.013 343 L CA -0.823 54.017 54.840 0.000 0.000 0.816 343 L CB 1.936 44.017 42.059 0.037 0.000 1.278 343 L HN 0.562 nan 8.230 nan 0.000 0.431 344 L N 3.164 124.391 121.223 0.007 0.000 2.372 344 L HA 0.473 4.814 4.340 0.001 0.000 0.274 344 L C -0.442 176.409 176.870 -0.033 0.000 0.988 344 L CA -0.191 54.649 54.840 -0.000 0.000 0.833 344 L CB 1.009 43.066 42.059 -0.003 0.000 1.236 344 L HN 0.628 nan 8.230 nan 0.000 0.410 345 N N 4.024 122.562 118.700 -0.271 0.000 2.721 345 N HA -0.215 4.526 4.740 0.001 0.000 0.249 345 N C 0.896 175.947 175.510 -0.765 0.000 1.072 345 N CA 1.382 53.880 53.050 -0.921 0.000 0.710 345 N CB -1.183 36.767 38.487 -0.895 0.000 0.993 345 N HN 1.169 nan 8.380 nan 0.000 0.547 346 G N -2.115 106.583 108.800 -0.170 0.000 2.179 346 G HA2 -0.352 3.608 3.960 0.001 0.000 0.260 346 G HA3 -0.352 3.608 3.960 0.001 0.000 0.260 346 G C -0.047 174.880 174.900 0.045 0.000 0.977 346 G CA 0.892 46.039 45.100 0.079 0.000 0.641 346 G HN 0.386 nan 8.290 nan 0.000 0.533 347 K N 0.977 121.395 120.400 0.030 0.000 2.207 347 K HA 0.508 4.828 4.320 0.001 0.000 0.255 347 K C -2.625 173.953 176.600 -0.036 0.000 0.941 347 K CA -2.349 53.923 56.287 -0.024 0.000 0.825 347 K CB 2.388 34.797 32.500 -0.151 0.000 1.119 347 K HN 0.101 nan 8.250 nan 0.000 0.430 348 P HA 0.132 nan 4.420 nan 0.000 0.271 348 P C -0.178 177.069 177.300 -0.088 0.000 1.233 348 P CA -0.109 62.953 63.100 -0.064 0.000 0.764 348 P CB 0.527 32.192 31.700 -0.059 0.000 0.825 349 L N 3.753 124.921 121.223 -0.092 0.000 2.453 349 L HA 0.280 4.621 4.340 0.001 0.000 0.261 349 L C 0.724 177.527 176.870 -0.111 0.000 1.179 349 L CA -0.654 54.125 54.840 -0.102 0.000 0.813 349 L CB 0.447 42.408 42.059 -0.163 0.000 1.110 349 L HN 0.288 nan 8.230 nan 0.000 0.466 350 L N 4.023 125.198 121.223 -0.079 0.000 2.401 350 L HA 0.394 4.734 4.340 0.001 0.000 0.263 350 L C -0.448 176.385 176.870 -0.062 0.000 1.004 350 L CA -0.288 54.488 54.840 -0.108 0.000 0.881 350 L CB 0.761 42.786 42.059 -0.057 0.000 1.219 350 L HN 0.249 nan 8.230 nan 0.000 0.441 351 I N 4.684 125.149 120.570 -0.174 0.000 2.576 351 I HA 0.101 4.271 4.170 0.001 0.000 0.288 351 I C 0.644 176.709 176.117 -0.086 0.000 1.126 351 I CA 0.455 61.651 61.300 -0.174 0.000 1.362 351 I CB -0.044 37.730 38.000 -0.376 0.000 1.419 351 I HN 0.544 nan 8.210 nan 0.000 0.533 352 R N 4.835 125.375 120.500 0.067 0.000 2.937 352 R HA 0.438 4.779 4.340 0.001 0.000 0.264 352 R C 0.558 176.963 176.300 0.174 0.000 1.334 352 R CA -0.279 55.915 56.100 0.156 0.000 1.516 352 R CB 0.854 31.091 30.300 -0.106 0.000 1.187 352 R HN 0.756 nan 8.270 nan 0.000 0.609 353 G N 0.037 108.870 108.800 0.055 0.000 2.552 353 G HA2 0.607 4.568 3.960 0.001 0.000 0.324 353 G HA3 0.607 4.568 3.960 0.001 0.000 0.324 353 G C -1.272 173.907 174.900 0.466 0.000 1.217 353 G CA -0.469 44.670 45.100 0.064 0.000 0.989 353 G HN 0.205 nan 8.290 nan 0.000 0.490 354 V N -0.249 119.938 119.914 0.455 0.000 3.048 354 V HA 0.470 4.591 4.120 0.001 0.000 0.303 354 V C -1.289 174.944 176.094 0.231 0.000 1.214 354 V CA -1.209 61.260 62.300 0.282 0.000 0.984 354 V CB 2.258 33.970 31.823 -0.185 0.000 1.054 354 V HN 0.754 nan 8.190 nan 0.000 0.430 355 N N 4.082 122.841 118.700 0.098 0.000 2.499 355 N HA 0.450 5.190 4.740 0.001 0.000 0.281 355 N C -0.751 174.582 175.510 -0.295 0.000 1.098 355 N CA -0.299 52.676 53.050 -0.124 0.000 0.979 355 N CB 1.553 39.942 38.487 -0.163 0.000 1.121 355 N HN 0.638 nan 8.380 nan 0.000 0.466 356 R N 2.094 122.384 120.500 -0.351 0.000 2.502 356 R HA 0.220 4.561 4.340 0.001 0.000 0.298 356 R C -0.948 175.116 176.300 -0.394 0.000 1.018 356 R CA -0.552 55.354 56.100 -0.323 0.000 0.899 356 R CB 0.788 30.872 30.300 -0.361 0.000 1.181 356 R HN 0.577 nan 8.270 nan 0.000 0.444 357 H N 2.141 121.051 119.070 -0.266 0.000 2.508 357 H HA 0.158 4.714 4.556 0.001 0.000 0.358 357 H C -0.507 174.798 175.328 -0.038 0.000 1.212 357 H CA 0.022 55.994 56.048 -0.127 0.000 1.356 357 H CB 1.486 31.233 29.762 -0.024 0.000 1.525 357 H HN 0.578 nan 8.280 nan 0.000 0.578 358 E N 1.873 122.247 120.200 0.289 0.000 2.001 358 E HA 0.123 4.474 4.350 0.001 0.000 0.279 358 E C -0.735 176.014 176.600 0.249 0.000 1.045 358 E CA -0.090 56.417 56.400 0.178 0.000 0.833 358 E CB 0.441 30.266 29.700 0.209 0.000 1.077 358 E HN 0.386 nan 8.360 nan 0.000 0.397 359 H N 1.553 120.681 119.070 0.097 0.000 2.894 359 H HA 0.298 4.854 4.556 0.001 0.000 0.367 359 H C -1.626 173.757 175.328 0.091 0.000 1.144 359 H CA -0.678 55.422 56.048 0.087 0.000 1.180 359 H CB 1.256 31.054 29.762 0.059 0.000 1.758 359 H HN 0.393 nan 8.280 nan 0.000 0.541 360 H N 5.946 124.616 119.070 -0.667 0.000 2.782 360 H HA 0.197 4.753 4.556 0.001 0.000 0.347 360 H C -2.338 172.586 175.328 -0.674 0.000 1.038 360 H CA -2.286 53.500 56.048 -0.437 0.000 1.255 360 H CB 2.788 32.449 29.762 -0.169 0.000 1.623 360 H HN 0.555 nan 8.280 nan 0.000 0.525 361 P HA -0.138 nan 4.420 nan 0.000 0.220 361 P C 1.171 178.371 177.300 -0.166 0.000 1.148 361 P CA 0.604 63.561 63.100 -0.238 0.000 0.803 361 P CB 0.910 32.511 31.700 -0.165 0.000 0.782 362 L N -1.029 120.199 121.223 0.007 0.000 2.269 362 L HA 0.131 4.471 4.340 0.001 0.000 0.200 362 L C 2.202 178.913 176.870 -0.266 0.000 1.069 362 L CA 1.454 56.195 54.840 -0.165 0.000 0.804 362 L CB -0.965 40.909 42.059 -0.307 0.000 0.987 362 L HN -0.053 nan 8.230 nan 0.000 0.468 363 H N -0.654 118.395 119.070 -0.035 0.000 2.529 363 H HA 0.439 4.996 4.556 0.001 0.000 0.277 363 H C 1.406 176.634 175.328 -0.167 0.000 1.004 363 H CA 0.426 56.363 56.048 -0.184 0.000 1.167 363 H CB -0.071 29.474 29.762 -0.362 0.000 1.445 363 H HN 0.375 nan 8.280 nan 0.000 0.554 364 G N 1.716 110.431 108.800 -0.141 0.000 2.595 364 G HA2 -0.358 3.602 3.960 0.001 0.000 0.297 364 G HA3 -0.358 3.602 3.960 0.001 0.000 0.297 364 G C 0.711 175.520 174.900 -0.150 0.000 1.181 364 G CA 0.397 45.362 45.100 -0.224 0.000 0.963 364 G HN 0.461 nan 8.290 nan 0.000 0.541 365 Q N -0.039 119.704 119.800 -0.094 0.000 2.188 365 Q HA 0.488 4.828 4.340 0.001 0.000 0.212 365 Q C 0.141 176.221 176.000 0.132 0.000 0.846 365 Q CA -0.155 55.636 55.803 -0.021 0.000 0.989 365 Q CB 1.619 30.244 28.738 -0.189 0.000 1.114 365 Q HN 0.350 nan 8.270 nan 0.000 0.488 366 V N 2.206 122.184 119.914 0.107 0.000 2.461 366 V HA 0.180 4.300 4.120 0.001 0.000 0.275 366 V C 0.150 176.303 176.094 0.097 0.000 1.047 366 V CA 0.124 62.502 62.300 0.130 0.000 0.955 366 V CB 0.969 32.806 31.823 0.023 0.000 0.988 366 V HN 0.335 nan 8.190 nan 0.000 0.471 367 M N 5.531 125.201 119.600 0.118 0.000 2.363 367 M HA 0.487 4.967 4.480 0.001 0.000 0.343 367 M C -0.368 175.910 176.300 -0.038 0.000 1.165 367 M CA -0.475 54.855 55.300 0.050 0.000 1.046 367 M CB 1.728 34.345 32.600 0.029 0.000 1.648 367 M HN 0.834 nan 8.290 nan 0.000 0.452 368 D N 0.547 120.927 120.400 -0.033 0.000 2.490 368 D HA 0.219 4.859 4.640 0.001 0.000 0.232 368 D C 0.100 176.385 176.300 -0.024 0.000 1.053 368 D CA -0.438 53.537 54.000 -0.043 0.000 0.914 368 D CB 1.950 42.745 40.800 -0.009 0.000 1.431 368 D HN 0.715 nan 8.370 nan 0.000 0.483 369 E N 0.442 120.633 120.200 -0.015 0.000 2.085 369 E HA -0.298 4.053 4.350 0.001 0.000 0.194 369 E C 1.818 178.461 176.600 0.072 0.000 0.994 369 E CA 1.447 57.865 56.400 0.031 0.000 0.801 369 E CB 0.167 29.899 29.700 0.053 0.000 0.743 369 E HN 0.575 nan 8.360 nan 0.000 0.453 370 Q N -0.428 119.418 119.800 0.076 0.000 2.084 370 Q HA -0.152 4.188 4.340 0.001 0.000 0.202 370 Q C 1.960 178.026 176.000 0.109 0.000 0.978 370 Q CA 2.199 58.057 55.803 0.092 0.000 0.844 370 Q CB 0.013 28.807 28.738 0.093 0.000 0.898 370 Q HN 0.250 nan 8.270 nan 0.000 0.426 371 T N 0.658 115.289 114.554 0.128 0.000 2.821 371 T HA -0.101 4.249 4.350 0.001 0.000 0.267 371 T C 1.760 176.549 174.700 0.148 0.000 1.046 371 T CA 1.337 63.527 62.100 0.150 0.000 1.139 371 T CB -0.102 68.887 68.868 0.201 0.000 0.871 371 T HN 0.303 nan 8.240 nan 0.000 0.454 372 M N 0.559 120.249 119.600 0.150 0.000 2.086 372 M HA -0.081 4.399 4.480 0.001 0.000 0.261 372 M C 2.468 178.881 176.300 0.188 0.000 1.067 372 M CA 1.324 56.776 55.300 0.254 0.000 1.116 372 M CB -0.591 32.182 32.600 0.288 0.000 1.348 372 M HN 0.092 nan 8.290 nan 0.000 0.407 373 V N 0.345 120.313 119.914 0.090 0.000 2.343 373 V HA -0.300 3.821 4.120 0.001 0.000 0.247 373 V C 2.321 178.395 176.094 -0.033 0.000 1.051 373 V CA 2.106 64.393 62.300 -0.022 0.000 1.036 373 V CB -0.906 30.940 31.823 0.040 0.000 0.654 373 V HN 0.568 nan 8.190 nan 0.000 0.451 374 Q N -0.219 119.615 119.800 0.057 0.000 2.084 374 Q HA -0.262 4.078 4.340 0.001 0.000 0.202 374 Q C 1.951 178.022 176.000 0.118 0.000 0.978 374 Q CA 2.141 57.996 55.803 0.086 0.000 0.844 374 Q CB -0.134 28.672 28.738 0.115 0.000 0.898 374 Q HN 0.614 nan 8.270 nan 0.000 0.426 375 D N 0.378 120.867 120.400 0.148 0.000 2.097 375 D HA -0.133 4.508 4.640 0.001 0.000 0.195 375 D C 1.936 178.181 176.300 -0.093 0.000 0.989 375 D CA 1.130 55.218 54.000 0.146 0.000 0.827 375 D CB -0.168 40.706 40.800 0.124 0.000 0.966 375 D HN 0.363 nan 8.370 nan 0.000 0.456 376 I N 0.628 121.137 120.570 -0.103 0.000 2.226 376 I HA -0.230 3.941 4.170 0.001 0.000 0.245 376 I C 2.378 178.341 176.117 -0.256 0.000 1.100 376 I CA 0.642 61.776 61.300 -0.275 0.000 1.374 376 I CB -0.102 37.620 38.000 -0.465 0.000 1.057 376 I HN -0.005 nan 8.210 nan 0.000 0.413 377 L N 0.012 121.125 121.223 -0.183 0.000 2.027 377 L HA -0.215 4.125 4.340 0.001 0.000 0.206 377 L C 2.536 179.457 176.870 0.085 0.000 1.074 377 L CA 1.310 56.127 54.840 -0.039 0.000 0.745 377 L CB -0.552 41.509 42.059 0.004 0.000 0.898 377 L HN 0.263 nan 8.230 nan 0.000 0.433 378 L N -0.929 120.369 121.223 0.125 0.000 2.083 378 L HA -0.237 4.104 4.340 0.001 0.000 0.209 378 L C 2.680 179.696 176.870 0.243 0.000 1.083 378 L CA 1.310 56.308 54.840 0.264 0.000 0.752 378 L CB -0.275 42.049 42.059 0.442 0.000 0.899 378 L HN 0.308 nan 8.230 nan 0.000 0.433 379 M N -0.647 118.920 119.600 -0.055 0.000 2.067 379 M HA -0.233 4.247 4.480 0.001 0.000 0.260 379 M C 2.259 178.610 176.300 0.086 0.000 1.069 379 M CA 1.871 57.062 55.300 -0.182 0.000 1.117 379 M CB -0.290 31.984 32.600 -0.544 0.000 1.334 379 M HN 0.069 nan 8.290 nan 0.000 0.407 380 K N -0.107 120.243 120.400 -0.082 0.000 2.148 380 K HA -0.149 4.171 4.320 0.001 0.000 0.204 380 K C 1.926 178.444 176.600 -0.136 0.000 1.050 380 K CA 1.097 57.216 56.287 -0.281 0.000 0.942 380 K CB -0.163 31.932 32.500 -0.676 0.000 0.724 380 K HN 0.439 nan 8.250 nan 0.000 0.446 381 Q N 0.370 120.281 119.800 0.185 0.000 2.364 381 Q HA -0.021 4.319 4.340 0.001 0.000 0.207 381 Q C 0.731 177.024 176.000 0.489 0.000 0.970 381 Q CA 0.708 56.770 55.803 0.430 0.000 0.888 381 Q CB 0.195 29.179 28.738 0.410 0.000 0.951 381 Q HN 0.259 nan 8.270 nan 0.000 0.469 382 N N 0.712 119.645 118.700 0.388 0.000 2.321 382 N HA 0.060 4.800 4.740 0.001 0.000 0.242 382 N C -0.749 174.868 175.510 0.179 0.000 1.141 382 N CA 0.008 53.282 53.050 0.373 0.000 0.864 382 N CB 0.695 39.485 38.487 0.504 0.000 1.100 382 N HN 0.148 nan 8.380 nan 0.000 0.510 383 N N 0.306 119.113 118.700 0.178 0.000 2.747 383 N HA -0.196 4.545 4.740 0.001 0.000 0.249 383 N C -0.957 174.492 175.510 -0.102 0.000 1.107 383 N CA 0.897 54.014 53.050 0.111 0.000 0.707 383 N CB -1.772 36.694 38.487 -0.035 0.000 1.054 383 N HN 0.275 nan 8.380 nan 0.000 0.555 384 F N 0.921 120.882 119.950 0.018 0.000 2.399 384 F HA 0.332 4.860 4.527 0.001 0.000 0.334 384 F C 1.675 177.456 175.800 -0.031 0.000 1.097 384 F CA -0.742 57.252 58.000 -0.010 0.000 1.076 384 F CB 0.990 39.957 39.000 -0.054 0.000 1.162 384 F HN 0.034 nan 8.300 nan 0.000 0.495 385 N N 0.901 119.707 118.700 0.176 0.000 2.160 385 N HA 0.436 5.177 4.740 0.001 0.000 0.226 385 N C -0.868 174.676 175.510 0.057 0.000 1.256 385 N CA -0.055 53.020 53.050 0.042 0.000 0.890 385 N CB 0.777 39.332 38.487 0.113 0.000 1.116 385 N HN 0.457 nan 8.380 nan 0.000 0.517 386 A N -0.497 122.430 122.820 0.179 0.000 2.594 386 A HA 0.756 5.077 4.320 0.001 0.000 0.295 386 A C -1.745 176.052 177.584 0.356 0.000 1.071 386 A CA -0.725 51.484 52.037 0.287 0.000 0.685 386 A CB 1.899 21.079 19.000 0.299 0.000 1.285 386 A HN 0.210 nan 8.150 nan 0.000 0.405 387 V N 1.359 121.546 119.914 0.455 0.000 2.888 387 V HA 0.783 4.903 4.120 0.001 0.000 0.309 387 V C -0.664 175.587 176.094 0.262 0.000 1.114 387 V CA -0.703 61.819 62.300 0.369 0.000 0.940 387 V CB 1.898 33.863 31.823 0.236 0.000 1.021 387 V HN 1.109 nan 8.190 nan 0.000 0.426 388 R N 4.972 125.474 120.500 0.005 0.000 2.338 388 R HA 0.473 4.813 4.340 0.001 0.000 0.317 388 R C -0.710 175.442 176.300 -0.246 0.000 0.968 388 R CA -0.474 55.435 56.100 -0.319 0.000 0.849 388 R CB 1.093 30.962 30.300 -0.718 0.000 1.128 388 R HN 0.807 nan 8.270 nan 0.000 0.448 389 C N 4.450 123.634 119.300 -0.194 0.000 3.183 389 C HA 0.096 4.556 4.460 0.001 0.000 0.545 389 C C 0.647 175.357 174.990 -0.468 0.000 1.044 389 C CA -0.349 58.500 59.018 -0.281 0.000 1.117 389 C CB -2.072 25.618 27.740 -0.083 0.000 1.393 389 C HN 0.708 nan 8.230 nan 0.000 0.611 390 S N 0.797 116.096 115.700 -0.669 0.000 2.455 390 S HA 0.234 4.704 4.470 0.001 0.000 0.278 390 S C -0.462 173.271 174.600 -1.444 0.000 1.216 390 S CA -0.025 57.525 58.200 -1.083 0.000 1.055 390 S CB -0.140 62.367 63.200 -1.155 0.000 0.939 390 S HN 0.792 nan 8.310 nan 0.000 0.494 391 H N 2.947 121.430 119.070 -0.979 0.000 2.514 391 H HA 0.425 4.982 4.556 0.001 0.000 0.226 391 H C -1.262 173.971 175.328 -0.158 0.000 1.421 391 H CA -0.565 55.288 56.048 -0.325 0.000 1.394 391 H CB 0.159 29.922 29.762 0.001 0.000 1.701 391 H HN 0.822 nan 8.280 nan 0.000 0.515 392 Y N -3.209 117.186 120.300 0.157 0.000 2.717 392 Y HA 0.414 4.965 4.550 0.001 0.000 0.345 392 Y C -3.481 172.521 175.900 0.170 0.000 1.187 392 Y CA -3.513 54.691 58.100 0.173 0.000 1.128 392 Y CB 0.048 38.618 38.460 0.183 0.000 1.360 392 Y HN -0.048 nan 8.280 nan 0.000 0.467 393 P HA 0.159 nan 4.420 nan 0.000 0.266 393 P C -0.681 176.902 177.300 0.472 0.000 1.195 393 P CA 0.329 63.672 63.100 0.405 0.000 0.768 393 P CB 0.592 32.465 31.700 0.288 0.000 0.838 394 N N 0.763 119.751 118.700 0.480 0.000 2.413 394 N HA 0.101 4.842 4.740 0.001 0.000 0.266 394 N C -0.061 175.693 175.510 0.407 0.000 1.238 394 N CA -0.356 52.895 53.050 0.334 0.000 0.972 394 N CB 0.029 38.501 38.487 -0.026 0.000 1.210 394 N HN 0.477 nan 8.380 nan 0.000 0.547 395 H N 2.288 121.477 119.070 0.198 0.000 3.001 395 H HA -0.005 4.552 4.556 0.001 0.000 0.334 395 H C -1.522 173.979 175.328 0.288 0.000 1.034 395 H CA -0.871 55.281 56.048 0.173 0.000 1.420 395 H CB 0.807 30.640 29.762 0.118 0.000 1.405 395 H HN 0.428 nan 8.280 nan 0.000 0.593 396 P HA -0.228 nan 4.420 nan 0.000 0.217 396 P C 1.796 179.406 177.300 0.516 0.000 1.148 396 P CA 0.789 64.139 63.100 0.416 0.000 0.834 396 P CB 0.275 32.069 31.700 0.157 0.000 0.783 397 L N -0.797 120.803 121.223 0.629 0.000 2.131 397 L HA -0.067 4.273 4.340 0.001 0.000 0.210 397 L C 2.495 179.522 176.870 0.262 0.000 1.092 397 L CA 1.451 56.517 54.840 0.376 0.000 0.759 397 L CB -1.558 40.650 42.059 0.249 0.000 0.903 397 L HN 0.031 nan 8.230 nan 0.000 0.435 398 W N -0.391 120.938 121.300 0.048 0.000 2.318 398 W HA -0.348 4.313 4.660 0.001 0.000 0.313 398 W C 2.115 178.480 176.519 -0.257 0.000 1.221 398 W CA 2.108 59.349 57.345 -0.173 0.000 1.266 398 W CB -0.410 28.847 29.460 -0.339 0.000 1.150 398 W HN 0.288 nan 8.180 nan 0.000 0.496 399 Y N 0.557 120.777 120.300 -0.135 0.000 2.293 399 Y HA -0.175 4.375 4.550 0.001 0.000 0.291 399 Y C 2.835 178.509 175.900 -0.377 0.000 1.137 399 Y CA 1.998 59.821 58.100 -0.461 0.000 1.202 399 Y CB -1.300 36.595 38.460 -0.943 0.000 0.990 399 Y HN -0.227 nan 8.280 nan 0.000 0.537 400 T N 0.649 115.203 114.554 -0.000 0.000 2.746 400 T HA -0.139 4.211 4.350 0.001 0.000 0.267 400 T C 1.963 176.699 174.700 0.059 0.000 1.039 400 T CA 1.326 63.513 62.100 0.144 0.000 1.142 400 T CB -0.483 68.517 68.868 0.221 0.000 0.866 400 T HN 0.246 nan 8.240 nan 0.000 0.444 401 L N 0.180 121.390 121.223 -0.023 0.000 2.109 401 L HA -0.056 4.285 4.340 0.001 0.000 0.207 401 L C 2.801 179.643 176.870 -0.047 0.000 1.086 401 L CA 0.773 55.619 54.840 0.010 0.000 0.760 401 L CB -0.626 41.401 42.059 -0.053 0.000 0.910 401 L HN 0.359 nan 8.230 nan 0.000 0.437 402 C N -0.164 118.954 119.300 -0.303 0.000 2.435 402 C HA -0.117 4.343 4.460 0.001 0.000 0.279 402 C C 2.398 177.431 174.990 0.072 0.000 1.321 402 C CA 0.354 59.225 59.018 -0.244 0.000 1.752 402 C CB -0.720 26.759 27.740 -0.436 0.000 1.959 402 C HN 0.538 nan 8.230 nan 0.000 0.500 403 D N 0.623 121.076 120.400 0.089 0.000 2.117 403 D HA -0.094 4.546 4.640 0.001 0.000 0.197 403 D C 2.368 178.886 176.300 0.364 0.000 0.987 403 D CA 1.186 55.312 54.000 0.209 0.000 0.829 403 D CB -0.353 40.524 40.800 0.129 0.000 0.961 403 D HN 0.536 nan 8.370 nan 0.000 0.460 404 R N -0.884 119.719 120.500 0.172 0.000 2.100 404 R HA 0.013 4.353 4.340 0.001 0.000 0.220 404 R C 2.149 178.423 176.300 -0.043 0.000 1.091 404 R CA 0.574 56.709 56.100 0.057 0.000 0.986 404 R CB -0.204 30.054 30.300 -0.070 0.000 0.888 404 R HN 0.277 nan 8.270 nan 0.000 0.444 405 Y N 0.061 120.375 120.300 0.022 0.000 2.420 405 Y HA 0.153 4.703 4.550 0.001 0.000 0.292 405 Y C 0.984 176.821 175.900 -0.105 0.000 1.119 405 Y CA 0.754 58.839 58.100 -0.026 0.000 1.229 405 Y CB 0.662 39.076 38.460 -0.076 0.000 1.026 405 Y HN 0.247 nan 8.280 nan 0.000 0.554 406 G N 1.244 110.081 108.800 0.061 0.000 2.830 406 G HA2 -0.145 3.816 3.960 0.001 0.000 0.298 406 G HA3 -0.145 3.816 3.960 0.001 0.000 0.298 406 G C -1.194 173.551 174.900 -0.259 0.000 1.031 406 G CA -0.544 44.462 45.100 -0.156 0.000 1.179 406 G HN 0.163 nan 8.290 nan 0.000 0.527 407 L N 1.076 122.216 121.223 -0.139 0.000 2.482 407 L HA 0.453 4.794 4.340 0.001 0.000 0.263 407 L C -0.149 176.715 176.870 -0.010 0.000 0.957 407 L CA -1.227 53.492 54.840 -0.202 0.000 0.836 407 L CB 2.052 44.016 42.059 -0.158 0.000 1.324 407 L HN 0.476 nan 8.230 nan 0.000 0.406 408 Y N 2.004 122.426 120.300 0.203 0.000 2.377 408 Y HA 0.392 4.943 4.550 0.001 0.000 0.330 408 Y C 0.228 176.260 175.900 0.220 0.000 1.108 408 Y CA -0.734 57.517 58.100 0.252 0.000 1.308 408 Y CB 1.324 39.915 38.460 0.218 0.000 1.216 408 Y HN 0.160 nan 8.280 nan 0.000 0.518 409 V N 4.381 124.492 119.914 0.328 0.000 2.628 409 V HA 0.359 4.480 4.120 0.001 0.000 0.306 409 V C -0.559 175.630 176.094 0.159 0.000 1.045 409 V CA -1.005 61.433 62.300 0.231 0.000 0.905 409 V CB 1.998 33.926 31.823 0.175 0.000 0.997 409 V HN 0.445 nan 8.190 nan 0.000 0.436 410 V N 2.923 122.900 119.914 0.105 0.000 2.313 410 V HA 0.330 4.451 4.120 0.001 0.000 0.278 410 V C -0.419 175.721 176.094 0.076 0.000 1.017 410 V CA -0.427 61.885 62.300 0.021 0.000 0.823 410 V CB 1.440 33.169 31.823 -0.158 0.000 1.010 410 V HN 0.888 nan 8.190 nan 0.000 0.443 411 D N 4.162 124.652 120.400 0.150 0.000 2.295 411 D HA 0.265 4.905 4.640 0.001 0.000 0.248 411 D C -0.156 176.337 176.300 0.322 0.000 1.154 411 D CA 0.067 54.252 54.000 0.308 0.000 0.857 411 D CB 1.176 42.215 40.800 0.398 0.000 1.117 411 D HN 0.672 nan 8.370 nan 0.000 0.468 412 E N 1.868 122.214 120.200 0.243 0.000 2.199 412 E HA 0.615 4.965 4.350 0.001 0.000 0.269 412 E C -0.982 175.751 176.600 0.222 0.000 0.899 412 E CA -1.089 55.440 56.400 0.215 0.000 0.772 412 E CB 1.356 31.138 29.700 0.136 0.000 1.155 412 E HN 0.471 nan 8.360 nan 0.000 0.408 413 A N 3.729 126.671 122.820 0.204 0.000 2.462 413 A HA 0.052 4.373 4.320 0.001 0.000 0.243 413 A C 0.298 178.005 177.584 0.205 0.000 1.076 413 A CA -0.229 51.909 52.037 0.168 0.000 0.773 413 A CB 0.127 19.190 19.000 0.105 0.000 1.010 413 A HN 0.691 nan 8.150 nan 0.000 0.493 414 N N 1.419 120.248 118.700 0.214 0.000 2.971 414 N HA 0.244 4.985 4.740 0.001 0.000 0.294 414 N C -1.023 174.613 175.510 0.209 0.000 1.210 414 N CA 0.282 53.492 53.050 0.266 0.000 1.157 414 N CB -0.847 37.795 38.487 0.258 0.000 1.450 414 N HN 0.479 nan 8.380 nan 0.000 0.527 415 I N 0.997 121.687 120.570 0.200 0.000 2.529 415 I HA 0.257 4.427 4.170 0.001 0.000 0.284 415 I C -0.655 175.559 176.117 0.162 0.000 1.088 415 I CA -0.549 60.850 61.300 0.164 0.000 1.062 415 I CB 1.723 39.794 38.000 0.118 0.000 1.218 415 I HN 0.237 nan 8.210 nan 0.000 0.442 416 E N 4.191 124.480 120.200 0.148 0.000 2.287 416 E HA 0.358 4.708 4.350 0.001 0.000 0.274 416 E C -0.580 176.078 176.600 0.096 0.000 0.896 416 E CA -0.415 56.044 56.400 0.098 0.000 0.788 416 E CB 1.689 31.423 29.700 0.056 0.000 1.244 416 E HN 0.594 nan 8.360 nan 0.000 0.408 417 T N 0.584 115.189 114.554 0.085 0.000 3.355 417 T HA 0.156 4.506 4.350 0.001 0.000 0.276 417 T C 0.918 175.664 174.700 0.077 0.000 1.003 417 T CA -0.324 61.852 62.100 0.127 0.000 0.943 417 T CB -0.273 68.651 68.868 0.093 0.000 1.158 417 T HN 0.654 nan 8.240 nan 0.000 0.513 418 H N 1.163 120.145 119.070 -0.148 0.000 2.394 418 H HA -0.089 4.468 4.556 0.001 0.000 0.297 418 H C 2.313 177.509 175.328 -0.221 0.000 1.113 418 H CA 1.347 57.276 56.048 -0.199 0.000 1.277 418 H CB -0.209 29.397 29.762 -0.260 0.000 1.370 418 H HN 0.584 nan 8.280 nan 0.000 0.506 419 G N 0.243 108.879 108.800 -0.274 0.000 2.679 419 G HA2 -0.068 3.892 3.960 0.001 0.000 0.212 419 G HA3 -0.068 3.892 3.960 0.001 0.000 0.212 419 G C 0.539 175.544 174.900 0.175 0.000 1.137 419 G CA -0.095 44.877 45.100 -0.213 0.000 0.787 419 G HN 0.149 nan 8.290 nan 0.000 0.534 420 M N 0.308 120.060 119.600 0.253 0.000 2.232 420 M HA 0.307 4.787 4.480 0.001 0.000 0.321 420 M C -0.361 175.975 176.300 0.060 0.000 1.101 420 M CA -0.234 55.164 55.300 0.164 0.000 1.181 420 M CB 1.336 33.990 32.600 0.090 0.000 1.432 420 M HN -0.201 nan 8.290 nan 0.000 0.457 421 V N 3.918 123.846 119.914 0.024 0.000 2.419 421 V HA 0.343 4.463 4.120 0.001 0.000 0.287 421 V C -1.925 174.162 176.094 -0.011 0.000 1.017 421 V CA -1.249 61.051 62.300 -0.001 0.000 0.844 421 V CB 1.682 33.500 31.823 -0.009 0.000 1.011 421 V HN 0.740 nan 8.190 nan 0.000 0.429 422 P HA 0.246 nan 4.420 nan 0.000 0.275 422 P C 1.005 178.308 177.300 0.005 0.000 1.266 422 P CA -0.538 62.559 63.100 -0.006 0.000 0.793 422 P CB 1.186 32.884 31.700 -0.004 0.000 1.074 423 M N 0.636 120.244 119.600 0.013 0.000 2.267 423 M HA -0.167 4.314 4.480 0.001 0.000 0.263 423 M C 1.260 177.584 176.300 0.039 0.000 1.063 423 M CA 1.809 57.127 55.300 0.029 0.000 1.090 423 M CB -0.450 32.157 32.600 0.012 0.000 1.392 423 M HN 0.375 nan 8.290 nan 0.000 0.422 424 N N -0.212 118.511 118.700 0.038 0.000 2.268 424 N HA -0.067 4.674 4.740 0.001 0.000 0.204 424 N C 1.166 176.664 175.510 -0.019 0.000 1.124 424 N CA 0.118 53.194 53.050 0.044 0.000 0.838 424 N CB -0.692 37.841 38.487 0.076 0.000 0.994 424 N HN 0.364 nan 8.380 nan 0.000 0.489 425 R N 0.443 120.917 120.500 -0.043 0.000 2.117 425 R HA -0.018 4.322 4.340 0.001 0.000 0.243 425 R C 1.424 177.636 176.300 -0.148 0.000 1.143 425 R CA 1.359 57.411 56.100 -0.080 0.000 0.968 425 R CB -0.013 30.237 30.300 -0.082 0.000 0.863 425 R HN 0.284 nan 8.270 nan 0.000 0.444 426 L N -0.783 120.294 121.223 -0.243 0.000 2.168 426 L HA -0.005 4.336 4.340 0.001 0.000 0.203 426 L C 2.496 179.234 176.870 -0.221 0.000 1.078 426 L CA 1.246 55.823 54.840 -0.439 0.000 0.780 426 L CB -0.540 41.011 42.059 -0.848 0.000 0.939 426 L HN 0.325 nan 8.230 nan 0.000 0.451 427 T N -4.042 110.416 114.554 -0.161 0.000 3.007 427 T HA -0.186 4.164 4.350 0.001 0.000 0.270 427 T C 1.221 175.842 174.700 -0.132 0.000 1.107 427 T CA 1.396 63.390 62.100 -0.178 0.000 1.118 427 T CB -0.253 68.485 68.868 -0.217 0.000 0.889 427 T HN 0.151 nan 8.240 nan 0.000 0.506 428 D N 0.808 121.164 120.400 -0.073 0.000 2.363 428 D HA 0.113 4.754 4.640 0.001 0.000 0.214 428 D C -0.343 175.943 176.300 -0.024 0.000 1.093 428 D CA -0.302 53.665 54.000 -0.054 0.000 0.837 428 D CB -0.015 40.758 40.800 -0.045 0.000 0.948 428 D HN 0.271 nan 8.370 nan 0.000 0.507 429 D N 0.139 120.541 120.400 0.003 0.000 2.317 429 D HA 0.117 4.758 4.640 0.001 0.000 0.234 429 D C -1.572 174.782 176.300 0.091 0.000 1.112 429 D CA -2.167 51.872 54.000 0.065 0.000 0.840 429 D CB 2.048 42.932 40.800 0.141 0.000 1.078 429 D HN 0.011 nan 8.370 nan 0.000 0.486 430 P HA -0.111 nan 4.420 nan 0.000 0.222 430 P C 0.946 178.250 177.300 0.006 0.000 1.147 430 P CA 0.624 63.734 63.100 0.018 0.000 0.790 430 P CB 0.442 32.141 31.700 -0.001 0.000 0.780 431 R N -1.820 118.689 120.500 0.016 0.000 2.237 431 R HA -0.055 4.285 4.340 0.001 0.000 0.219 431 R C 1.378 177.545 176.300 -0.222 0.000 1.080 431 R CA 1.017 57.056 56.100 -0.102 0.000 0.995 431 R CB -0.433 29.798 30.300 -0.115 0.000 0.875 431 R HN 0.314 nan 8.270 nan 0.000 0.462 432 W N -0.761 120.487 121.300 -0.088 0.000 3.127 432 W HA 0.173 4.833 4.660 0.001 0.000 0.344 432 W C 1.262 177.724 176.519 -0.095 0.000 1.151 432 W CA -0.566 56.726 57.345 -0.088 0.000 1.765 432 W CB 0.155 29.562 29.460 -0.088 0.000 1.085 432 W HN 0.009 nan 8.180 nan 0.000 0.596 433 L N 2.138 123.394 121.223 0.054 0.000 2.017 433 L HA 0.001 4.341 4.340 0.001 0.000 0.208 433 L C -0.677 176.161 176.870 -0.052 0.000 1.073 433 L CA 2.232 57.064 54.840 -0.013 0.000 0.745 433 L CB -1.641 40.398 42.059 -0.032 0.000 0.894 433 L HN -0.240 nan 8.230 nan 0.000 0.432 434 P HA -0.186 nan 4.420 nan 0.000 0.214 434 P C 1.636 178.883 177.300 -0.087 0.000 1.163 434 P CA 2.263 65.303 63.100 -0.101 0.000 0.889 434 P CB -0.224 31.404 31.700 -0.120 0.000 0.790 435 A N -1.134 121.647 122.820 -0.064 0.000 1.883 435 A HA -0.230 4.090 4.320 0.001 0.000 0.217 435 A C 2.246 179.847 177.584 0.028 0.000 1.186 435 A CA 2.183 54.218 52.037 -0.003 0.000 0.624 435 A CB -1.531 17.504 19.000 0.058 0.000 0.822 435 A HN 0.113 nan 8.150 nan 0.000 0.444 436 M N 0.216 119.841 119.600 0.042 0.000 2.132 436 M HA -0.148 4.332 4.480 0.001 0.000 0.263 436 M C 2.548 178.797 176.300 -0.087 0.000 1.065 436 M CA 1.747 57.046 55.300 -0.003 0.000 1.122 436 M CB -0.353 32.227 32.600 -0.033 0.000 1.365 436 M HN 0.677 nan 8.290 nan 0.000 0.411 437 S N 0.348 115.968 115.700 -0.135 0.000 2.383 437 S HA -0.178 4.293 4.470 0.001 0.000 0.229 437 S C 1.606 176.032 174.600 -0.290 0.000 1.030 437 S CA 1.402 59.452 58.200 -0.249 0.000 1.002 437 S CB -0.623 62.409 63.200 -0.279 0.000 0.829 437 S HN 0.521 nan 8.310 nan 0.000 0.467 438 E N 1.113 121.194 120.200 -0.198 0.000 2.153 438 E HA -0.076 4.274 4.350 0.001 0.000 0.194 438 E C 2.378 178.889 176.600 -0.149 0.000 0.988 438 E CA 0.831 57.121 56.400 -0.182 0.000 0.811 438 E CB -0.168 29.462 29.700 -0.116 0.000 0.746 438 E HN 0.591 nan 8.360 nan 0.000 0.466 439 R N 0.218 120.660 120.500 -0.096 0.000 2.148 439 R HA -0.046 4.295 4.340 0.001 0.000 0.223 439 R C 2.233 178.488 176.300 -0.074 0.000 1.088 439 R CA 0.534 56.608 56.100 -0.044 0.000 0.985 439 R CB 0.116 30.429 30.300 0.021 0.000 0.880 439 R HN 0.006 nan 8.270 nan 0.000 0.451 440 V N 0.014 119.837 119.914 -0.151 0.000 2.374 440 V HA -0.165 3.955 4.120 0.001 0.000 0.241 440 V C 2.481 178.392 176.094 -0.305 0.000 1.034 440 V CA 2.074 64.262 62.300 -0.186 0.000 1.037 440 V CB -0.172 31.537 31.823 -0.190 0.000 0.682 440 V HN 0.490 nan 8.190 nan 0.000 0.463 441 T N -0.587 113.660 114.554 -0.512 0.000 2.746 441 T HA -0.246 4.105 4.350 0.001 0.000 0.267 441 T C 1.925 176.453 174.700 -0.287 0.000 1.039 441 T CA 1.481 63.185 62.100 -0.659 0.000 1.142 441 T CB -0.409 67.864 68.868 -0.992 0.000 0.866 441 T HN 0.404 nan 8.240 nan 0.000 0.444 442 R N 0.227 120.587 120.500 -0.232 0.000 2.148 442 R HA 0.221 4.561 4.340 0.001 0.000 0.223 442 R C 2.640 178.854 176.300 -0.144 0.000 1.088 442 R CA 1.285 57.286 56.100 -0.164 0.000 0.985 442 R CB -0.453 29.762 30.300 -0.142 0.000 0.880 442 R HN 0.502 nan 8.270 nan 0.000 0.451 443 M N 0.639 120.158 119.600 -0.135 0.000 2.077 443 M HA -0.143 4.337 4.480 0.001 0.000 0.261 443 M C 1.882 178.090 176.300 -0.154 0.000 1.070 443 M CA 1.683 56.930 55.300 -0.087 0.000 1.125 443 M CB 0.038 32.623 32.600 -0.025 0.000 1.339 443 M HN -0.034 nan 8.290 nan 0.000 0.409 444 V N 1.204 120.913 119.914 -0.342 0.000 2.332 444 V HA -0.312 3.808 4.120 0.001 0.000 0.248 444 V C 2.305 178.278 176.094 -0.202 0.000 1.055 444 V CA 2.166 64.145 62.300 -0.535 0.000 1.038 444 V CB -1.035 30.459 31.823 -0.549 0.000 0.651 444 V HN 0.606 nan 8.190 nan 0.000 0.450 445 Q N -0.767 118.947 119.800 -0.143 0.000 2.226 445 Q HA -0.215 4.125 4.340 0.001 0.000 0.204 445 Q C 2.446 178.349 176.000 -0.162 0.000 0.975 445 Q CA 1.426 57.150 55.803 -0.131 0.000 0.866 445 Q CB -0.164 28.522 28.738 -0.086 0.000 0.915 445 Q HN 0.553 nan 8.270 nan 0.000 0.440 446 R N 0.377 120.782 120.500 -0.158 0.000 2.075 446 R HA -0.077 4.264 4.340 0.001 0.000 0.220 446 R C 0.544 176.770 176.300 -0.122 0.000 1.118 446 R CA 1.259 57.248 56.100 -0.184 0.000 0.986 446 R CB 0.442 30.633 30.300 -0.181 0.000 0.884 446 R HN 0.160 nan 8.270 nan 0.000 0.439 447 D N 0.111 120.497 120.400 -0.024 0.000 2.369 447 D HA -0.011 4.629 4.640 0.001 0.000 0.211 447 D C 1.322 177.726 176.300 0.173 0.000 1.077 447 D CA 0.099 54.132 54.000 0.054 0.000 0.842 447 D CB 0.192 40.936 40.800 -0.094 0.000 0.947 447 D HN 0.375 nan 8.370 nan 0.000 0.509 448 R N 0.763 121.384 120.500 0.201 0.000 2.249 448 R HA -0.027 4.314 4.340 0.001 0.000 0.230 448 R C 0.805 177.103 176.300 -0.004 0.000 1.121 448 R CA 0.912 57.139 56.100 0.213 0.000 0.997 448 R CB -0.326 30.025 30.300 0.084 0.000 0.867 448 R HN -0.059 nan 8.270 nan 0.000 0.465 449 N N 0.146 118.775 118.700 -0.120 0.000 2.336 449 N HA 0.001 4.741 4.740 0.001 0.000 0.189 449 N C -0.461 174.917 175.510 -0.220 0.000 1.113 449 N CA 0.248 53.191 53.050 -0.179 0.000 0.858 449 N CB 0.118 38.465 38.487 -0.234 0.000 0.970 449 N HN 0.287 nan 8.380 nan 0.000 0.471 450 H N 1.492 120.492 119.070 -0.117 0.000 2.742 450 H HA 0.100 4.657 4.556 0.001 0.000 0.302 450 H C -1.191 173.986 175.328 -0.252 0.000 1.069 450 H CA -1.156 54.807 56.048 -0.141 0.000 1.446 450 H CB 1.567 31.281 29.762 -0.080 0.000 1.462 450 H HN 0.075 nan 8.280 nan 0.000 0.499 451 P HA -0.137 nan 4.420 nan 0.000 0.221 451 P C 1.418 178.271 177.300 -0.744 0.000 1.150 451 P CA 0.952 63.692 63.100 -0.600 0.000 0.800 451 P CB 0.342 31.461 31.700 -0.969 0.000 0.787 452 S N -0.344 115.030 115.700 -0.543 0.000 2.399 452 S HA -0.061 4.410 4.470 0.001 0.000 0.231 452 S C 1.172 175.772 174.600 -0.001 0.000 1.022 452 S CA 0.532 58.621 58.200 -0.186 0.000 0.983 452 S CB -1.635 61.567 63.200 0.004 0.000 0.803 452 S HN -0.049 nan 8.310 nan 0.000 0.480 453 V N 3.776 123.653 119.914 -0.062 0.000 2.446 453 V HA 0.220 4.340 4.120 0.001 0.000 0.276 453 V C 1.086 177.047 176.094 -0.222 0.000 1.030 453 V CA 0.149 62.373 62.300 -0.127 0.000 1.033 453 V CB 0.277 31.931 31.823 -0.282 0.000 0.993 453 V HN 0.650 nan 8.190 nan 0.000 0.477 454 I N 2.590 123.083 120.570 -0.127 0.000 4.288 454 I HA 0.519 4.689 4.170 0.001 0.000 0.331 454 I C 0.323 176.335 176.117 -0.176 0.000 1.322 454 I CA 0.446 61.676 61.300 -0.118 0.000 1.149 454 I CB 0.510 38.522 38.000 0.020 0.000 1.112 454 I HN 0.323 nan 8.210 nan 0.000 0.403 455 I N 0.293 120.738 120.570 -0.209 0.000 2.656 455 I HA 0.356 4.526 4.170 0.001 0.000 0.292 455 I C -1.569 174.472 176.117 -0.126 0.000 1.144 455 I CA -0.401 60.820 61.300 -0.131 0.000 1.038 455 I CB 2.071 40.082 38.000 0.018 0.000 1.244 455 I HN 0.033 nan 8.210 nan 0.000 0.420 456 W N 3.842 125.194 121.300 0.086 0.000 2.438 456 W HA 0.622 5.282 4.660 0.001 0.000 0.324 456 W C 0.381 176.966 176.519 0.110 0.000 1.119 456 W CA -0.659 56.742 57.345 0.093 0.000 1.221 456 W CB 1.726 31.238 29.460 0.087 0.000 1.253 456 W HN 0.297 nan 8.180 nan 0.000 0.555 457 S N 2.641 118.577 115.700 0.393 0.000 2.500 457 S HA 0.386 4.857 4.470 0.001 0.000 0.301 457 S C 0.305 175.063 174.600 0.262 0.000 1.092 457 S CA -0.696 57.676 58.200 0.286 0.000 1.030 457 S CB 0.808 64.133 63.200 0.208 0.000 1.031 457 S HN 0.580 nan 8.310 nan 0.000 0.483 458 L N 4.114 125.481 121.223 0.239 0.000 2.610 458 L HA 0.312 4.653 4.340 0.001 0.000 0.232 458 L C 1.403 178.330 176.870 0.094 0.000 1.149 458 L CA 0.580 55.484 54.840 0.107 0.000 0.872 458 L CB -1.040 40.985 42.059 -0.056 0.000 0.992 458 L HN 0.976 nan 8.230 nan 0.000 0.447 459 G N -0.060 108.877 108.800 0.228 0.000 2.250 459 G HA2 -0.124 3.836 3.960 0.001 0.000 0.252 459 G HA3 -0.124 3.836 3.960 0.001 0.000 0.252 459 G C -1.629 173.464 174.900 0.321 0.000 1.325 459 G CA -0.510 44.736 45.100 0.243 0.000 1.091 459 G HN 0.174 nan 8.290 nan 0.000 0.476 460 N N 0.168 119.004 118.700 0.228 0.000 2.367 460 N HA 0.466 5.206 4.740 0.001 0.000 0.278 460 N C -0.592 174.879 175.510 -0.066 0.000 1.117 460 N CA 0.071 53.123 53.050 0.003 0.000 0.867 460 N CB 1.587 39.825 38.487 -0.415 0.000 1.649 460 N HN 0.881 nan 8.380 nan 0.000 0.479 461 E N 0.815 120.887 120.200 -0.214 0.000 2.131 461 E HA -0.182 4.168 4.350 0.001 0.000 0.166 461 E C -0.859 175.664 176.600 -0.128 0.000 1.514 461 E CA 0.773 56.974 56.400 -0.332 0.000 0.646 461 E CB -1.260 28.006 29.700 -0.725 0.000 1.051 461 E HN 0.431 nan 8.360 nan 0.000 0.315 462 S N 0.236 115.996 115.700 0.101 0.000 3.021 462 S HA 0.399 4.870 4.470 0.001 0.000 0.252 462 S C 0.617 175.383 174.600 0.277 0.000 0.996 462 S CA -0.180 58.141 58.200 0.200 0.000 1.084 462 S CB 1.390 64.773 63.200 0.306 0.000 1.021 462 S HN 0.883 nan 8.310 nan 0.000 0.566 463 G N 1.996 110.885 108.800 0.149 0.000 2.598 463 G HA2 -0.268 3.692 3.960 0.001 0.000 0.269 463 G HA3 -0.268 3.692 3.960 0.001 0.000 0.269 463 G C -0.507 174.591 174.900 0.330 0.000 1.289 463 G CA -0.075 45.119 45.100 0.157 0.000 0.926 463 G HN 0.662 nan 8.290 nan 0.000 0.567 464 H N 0.340 119.526 119.070 0.195 0.000 2.727 464 H HA 0.574 5.130 4.556 0.001 0.000 0.330 464 H C 0.341 175.840 175.328 0.285 0.000 0.986 464 H CA -0.191 56.015 56.048 0.263 0.000 1.251 464 H CB 0.722 30.570 29.762 0.142 0.000 1.493 464 H HN 1.016 nan 8.280 nan 0.000 0.515 465 G N 1.554 110.526 108.800 0.286 0.000 2.537 465 G HA2 0.444 4.405 3.960 0.001 0.000 0.308 465 G HA3 0.444 4.405 3.960 0.001 0.000 0.308 465 G C 0.575 175.389 174.900 -0.144 0.000 1.237 465 G CA -0.161 44.906 45.100 -0.056 0.000 0.968 465 G HN 0.693 nan 8.290 nan 0.000 0.481 466 A N 0.469 123.207 122.820 -0.136 0.000 2.024 466 A HA -0.109 4.212 4.320 0.001 0.000 0.220 466 A C 2.135 179.701 177.584 -0.029 0.000 1.164 466 A CA 1.927 53.920 52.037 -0.072 0.000 0.643 466 A CB -0.422 18.551 19.000 -0.045 0.000 0.806 466 A HN 0.538 nan 8.150 nan 0.000 0.451 467 N N -0.320 118.329 118.700 -0.086 0.000 2.223 467 N HA -0.140 4.601 4.740 0.001 0.000 0.185 467 N C 1.392 176.844 175.510 -0.096 0.000 1.016 467 N CA 1.703 54.686 53.050 -0.111 0.000 0.863 467 N CB -0.658 37.719 38.487 -0.183 0.000 0.983 467 N HN 0.789 nan 8.380 nan 0.000 0.429 468 H N 0.315 119.381 119.070 -0.006 0.000 2.357 468 H HA -0.016 4.540 4.556 0.001 0.000 0.301 468 H C 1.273 176.676 175.328 0.124 0.000 1.082 468 H CA 1.244 57.294 56.048 0.004 0.000 1.342 468 H CB 0.154 29.930 29.762 0.023 0.000 1.389 468 H HN 0.192 nan 8.280 nan 0.000 0.511 469 D N 0.381 120.946 120.400 0.274 0.000 2.117 469 D HA -0.132 4.508 4.640 0.001 0.000 0.197 469 D C 2.297 178.755 176.300 0.263 0.000 0.987 469 D CA 1.183 55.343 54.000 0.267 0.000 0.829 469 D CB -0.328 40.592 40.800 0.200 0.000 0.961 469 D HN 0.432 nan 8.370 nan 0.000 0.460 470 A N 0.880 123.802 122.820 0.169 0.000 1.877 470 A HA -0.104 4.217 4.320 0.001 0.000 0.216 470 A C 2.406 180.096 177.584 0.176 0.000 1.186 470 A CA 0.884 53.008 52.037 0.145 0.000 0.620 470 A CB -0.733 18.312 19.000 0.074 0.000 0.822 470 A HN 0.194 nan 8.150 nan 0.000 0.443 471 L N -1.962 119.349 121.223 0.147 0.000 2.217 471 L HA -0.117 4.223 4.340 0.001 0.000 0.211 471 L C 2.540 179.550 176.870 0.233 0.000 1.107 471 L CA 1.303 56.230 54.840 0.145 0.000 0.783 471 L CB -0.605 41.474 42.059 0.034 0.000 0.919 471 L HN 0.632 nan 8.230 nan 0.000 0.442 472 Y N 1.255 121.637 120.300 0.137 0.000 2.163 472 Y HA -0.275 4.275 4.550 0.001 0.000 0.288 472 Y C 2.794 178.774 175.900 0.133 0.000 1.136 472 Y CA 1.572 59.755 58.100 0.138 0.000 1.147 472 Y CB -0.141 38.402 38.460 0.138 0.000 0.987 472 Y HN -0.050 nan 8.280 nan 0.000 0.509 473 R N -0.017 120.552 120.500 0.115 0.000 2.092 473 R HA -0.195 4.146 4.340 0.001 0.000 0.231 473 R C 2.010 178.291 176.300 -0.031 0.000 1.119 473 R CA 1.865 57.954 56.100 -0.018 0.000 0.970 473 R CB -1.547 28.836 30.300 0.139 0.000 0.864 473 R HN 0.649 nan 8.270 nan 0.000 0.440 474 W N 0.486 121.736 121.300 -0.083 0.000 2.335 474 W HA -0.141 4.519 4.660 0.001 0.000 0.311 474 W C 1.662 178.091 176.519 -0.150 0.000 1.213 474 W CA 2.032 59.319 57.345 -0.096 0.000 1.274 474 W CB -0.249 29.160 29.460 -0.085 0.000 1.148 474 W HN 0.079 nan 8.180 nan 0.000 0.498 475 I N 0.737 121.302 120.570 -0.009 0.000 2.202 475 I HA -0.332 3.838 4.170 0.001 0.000 0.242 475 I C 2.424 178.359 176.117 -0.304 0.000 1.091 475 I CA 1.274 62.437 61.300 -0.228 0.000 1.368 475 I CB -0.730 37.200 38.000 -0.116 0.000 1.058 475 I HN -0.130 nan 8.210 nan 0.000 0.410 476 K N 0.376 120.595 120.400 -0.301 0.000 2.152 476 K HA -0.172 4.149 4.320 0.001 0.000 0.206 476 K C 2.274 178.737 176.600 -0.229 0.000 1.048 476 K CA 1.480 57.608 56.287 -0.266 0.000 0.933 476 K CB -0.581 31.701 32.500 -0.364 0.000 0.721 476 K HN 0.252 nan 8.250 nan 0.000 0.447 477 S N 0.894 116.419 115.700 -0.291 0.000 2.357 477 S HA -0.090 4.380 4.470 0.001 0.000 0.221 477 S C 2.045 176.433 174.600 -0.353 0.000 1.031 477 S CA 1.291 59.320 58.200 -0.285 0.000 0.982 477 S CB -0.136 62.889 63.200 -0.293 0.000 0.853 477 S HN 0.189 nan 8.310 nan 0.000 0.458 478 V N -0.625 118.943 119.914 -0.575 0.000 2.788 478 V HA 0.250 4.370 4.120 0.001 0.000 0.251 478 V C 0.383 176.276 176.094 -0.335 0.000 1.068 478 V CA 1.538 63.507 62.300 -0.551 0.000 1.090 478 V CB -0.376 30.875 31.823 -0.954 0.000 0.710 478 V HN 0.449 nan 8.190 nan 0.000 0.467 479 D N 1.101 121.345 120.400 -0.260 0.000 2.405 479 D HA 0.364 5.004 4.640 0.001 0.000 0.264 479 D C -1.829 174.473 176.300 0.004 0.000 1.240 479 D CA -1.914 52.046 54.000 -0.067 0.000 0.893 479 D CB 1.572 42.428 40.800 0.093 0.000 1.198 479 D HN 0.254 nan 8.370 nan 0.000 0.514 480 P HA -0.046 nan 4.420 nan 0.000 0.242 480 P C 0.876 178.197 177.300 0.035 0.000 1.197 480 P CA 0.334 63.432 63.100 -0.004 0.000 0.765 480 P CB 0.194 31.881 31.700 -0.021 0.000 0.936 481 S N -1.088 114.642 115.700 0.050 0.000 2.562 481 S HA 0.103 4.573 4.470 0.001 0.000 0.221 481 S C 0.877 175.503 174.600 0.042 0.000 0.975 481 S CA -0.334 57.898 58.200 0.053 0.000 0.918 481 S CB -0.328 62.899 63.200 0.045 0.000 0.772 481 S HN 0.100 nan 8.310 nan 0.000 0.531 482 R N 1.151 121.689 120.500 0.063 0.000 2.575 482 R HA 0.523 4.864 4.340 0.001 0.000 0.293 482 R C -3.259 173.097 176.300 0.093 0.000 0.983 482 R CA -2.150 53.956 56.100 0.011 0.000 0.887 482 R CB 1.542 31.721 30.300 -0.200 0.000 1.184 482 R HN 0.144 nan 8.270 nan 0.000 0.445 483 P HA 0.091 nan 4.420 nan 0.000 0.272 483 P C -0.824 176.589 177.300 0.188 0.000 1.230 483 P CA -0.375 62.793 63.100 0.115 0.000 0.788 483 P CB 0.723 32.472 31.700 0.082 0.000 0.949 484 V N 2.561 122.621 119.914 0.244 0.000 2.495 484 V HA 0.417 4.538 4.120 0.001 0.000 0.298 484 V C 0.109 176.393 176.094 0.317 0.000 1.031 484 V CA -0.315 62.181 62.300 0.325 0.000 0.871 484 V CB 1.221 33.244 31.823 0.334 0.000 0.988 484 V HN 0.600 nan 8.190 nan 0.000 0.432 485 Q N 3.888 123.846 119.800 0.264 0.000 2.433 485 Q HA 0.803 5.144 4.340 0.001 0.000 0.279 485 Q C -1.914 174.234 176.000 0.246 0.000 1.105 485 Q CA -0.926 54.991 55.803 0.190 0.000 0.815 485 Q CB 3.036 31.836 28.738 0.103 0.000 1.403 485 Q HN 0.628 nan 8.270 nan 0.000 0.435 486 Y N 0.292 120.586 120.300 -0.009 0.000 2.376 486 Y HA 0.155 4.705 4.550 0.001 0.000 0.321 486 Y C -0.494 175.331 175.900 -0.124 0.000 1.189 486 Y CA -0.811 57.251 58.100 -0.063 0.000 1.069 486 Y CB 2.086 40.489 38.460 -0.094 0.000 1.292 486 Y HN 0.947 nan 8.280 nan 0.000 0.430 487 E N 3.335 123.066 120.200 -0.782 0.000 2.250 487 E HA 0.129 4.480 4.350 0.001 0.000 0.192 487 E C 0.639 176.787 176.600 -0.754 0.000 0.986 487 E CA 0.780 56.809 56.400 -0.619 0.000 0.849 487 E CB 0.206 29.673 29.700 -0.389 0.000 0.797 487 E HN 0.884 nan 8.360 nan 0.000 0.482 488 G N -0.204 107.765 108.800 -1.385 0.000 2.484 488 G HA2 0.250 4.211 3.960 0.001 0.000 0.235 488 G HA3 0.250 4.211 3.960 0.001 0.000 0.235 488 G C 0.791 175.506 174.900 -0.310 0.000 1.282 488 G CA 0.322 44.980 45.100 -0.737 0.000 0.857 488 G HN 0.364 nan 8.290 nan 0.000 0.571 489 G N -0.332 108.408 108.800 -0.100 0.000 2.143 489 G HA2 0.242 4.203 3.960 0.001 0.000 0.248 489 G HA3 0.242 4.203 3.960 0.001 0.000 0.248 489 G C 1.210 176.111 174.900 0.003 0.000 0.991 489 G CA 0.924 46.038 45.100 0.025 0.000 0.689 489 G HN 2.615 nan 8.290 nan 0.000 0.522 490 G N -1.452 107.340 108.800 -0.014 0.000 2.205 490 G HA2 0.449 4.410 3.960 0.001 0.000 0.180 490 G HA3 0.449 4.410 3.960 0.001 0.000 0.180 490 G C 1.093 176.106 174.900 0.188 0.000 1.004 490 G CA 1.295 46.452 45.100 0.095 0.000 0.670 490 G HN 2.317 nan 8.290 nan 0.000 0.496 491 A N -0.162 122.648 122.820 -0.017 0.000 3.721 491 A HA -0.162 4.159 4.320 0.001 0.000 0.270 491 A C 1.127 178.628 177.584 -0.137 0.000 1.036 491 A CA 2.723 54.687 52.037 -0.122 0.000 1.102 491 A CB -1.744 17.166 19.000 -0.151 0.000 1.100 491 A HN 2.101 nan 8.150 nan 0.000 0.887 492 D N -0.884 119.524 120.400 0.013 0.000 2.760 492 D HA 0.326 4.966 4.640 0.001 0.000 0.314 492 D C 0.411 176.701 176.300 -0.017 0.000 1.464 492 D CA 0.787 54.796 54.000 0.015 0.000 0.797 492 D CB -1.132 39.808 40.800 0.234 0.000 1.149 492 D HN 0.783 nan 8.370 nan 0.000 0.455 493 T N -2.521 111.951 114.554 -0.137 0.000 2.689 493 T HA 0.197 4.547 4.350 0.001 0.000 0.308 493 T C 1.579 176.148 174.700 -0.217 0.000 1.021 493 T CA 0.431 62.389 62.100 -0.237 0.000 0.973 493 T CB 0.683 69.139 68.868 -0.686 0.000 1.113 493 T HN 0.092 nan 8.240 nan 0.000 0.522 494 T N -2.718 111.719 114.554 -0.195 0.000 3.160 494 T HA 0.267 4.617 4.350 0.001 0.000 0.257 494 T C 1.487 175.939 174.700 -0.412 0.000 1.147 494 T CA 0.190 62.185 62.100 -0.175 0.000 1.064 494 T CB -0.450 68.405 68.868 -0.022 0.000 0.949 494 T HN 0.816 nan 8.240 nan 0.000 0.526 495 A N 0.487 123.063 122.820 -0.406 0.000 2.460 495 A HA 0.516 4.836 4.320 0.001 0.000 0.258 495 A C 0.805 178.144 177.584 -0.408 0.000 1.300 495 A CA -0.302 51.440 52.037 -0.491 0.000 0.913 495 A CB 0.080 19.064 19.000 -0.026 0.000 1.031 495 A HN 0.421 nan 8.150 nan 0.000 0.512 496 T N -1.216 113.120 114.554 -0.364 0.000 2.971 496 T HA 0.345 4.696 4.350 0.001 0.000 0.304 496 T C -0.658 174.024 174.700 -0.029 0.000 1.038 496 T CA -0.470 61.579 62.100 -0.086 0.000 1.007 496 T CB 1.141 69.974 68.868 -0.057 0.000 1.055 496 T HN 0.110 nan 8.240 nan 0.000 0.451 497 D N 3.116 123.591 120.400 0.125 0.000 2.347 497 D HA 0.230 4.870 4.640 0.001 0.000 0.213 497 D C 0.409 176.735 176.300 0.043 0.000 0.985 497 D CA 0.717 54.789 54.000 0.120 0.000 0.879 497 D CB 0.486 41.398 40.800 0.186 0.000 0.919 497 D HN 0.545 nan 8.370 nan 0.000 0.526 498 I N 1.005 121.581 120.570 0.010 0.000 2.533 498 I HA 0.248 4.418 4.170 0.001 0.000 0.290 498 I C -0.179 175.868 176.117 -0.117 0.000 1.056 498 I CA -0.875 60.400 61.300 -0.043 0.000 1.057 498 I CB 2.825 40.813 38.000 -0.021 0.000 1.240 498 I HN -0.357 nan 8.210 nan 0.000 0.423 499 I N 5.784 126.240 120.570 -0.189 0.000 2.494 499 I HA 0.040 4.211 4.170 0.001 0.000 0.289 499 I C 0.211 176.117 176.117 -0.351 0.000 1.106 499 I CA 0.020 61.110 61.300 -0.349 0.000 1.369 499 I CB 0.098 37.792 38.000 -0.510 0.000 1.410 499 I HN 0.686 nan 8.210 nan 0.000 0.523 500 C N 5.849 124.957 119.300 -0.320 0.000 3.276 500 C HA 0.456 4.917 4.460 0.001 0.000 0.226 500 C C -1.995 172.851 174.990 -0.240 0.000 1.502 500 C CA -2.309 56.570 59.018 -0.232 0.000 1.488 500 C CB -0.935 26.727 27.740 -0.131 0.000 2.014 500 C HN 0.441 nan 8.230 nan 0.000 0.492 501 P HA 0.265 nan 4.420 nan 0.000 0.272 501 P C -0.486 176.762 177.300 -0.085 0.000 1.230 501 P CA 0.423 63.420 63.100 -0.172 0.000 0.788 501 P CB 0.900 32.497 31.700 -0.172 0.000 0.949 502 M N 0.770 120.346 119.600 -0.040 0.000 2.181 502 M HA 0.424 4.905 4.480 0.001 0.000 0.323 502 M C -0.839 175.433 176.300 -0.047 0.000 1.004 502 M CA -0.641 54.529 55.300 -0.216 0.000 0.941 502 M CB 1.109 33.578 32.600 -0.219 0.000 1.579 502 M HN 0.339 nan 8.290 nan 0.000 0.427 503 Y N -0.067 120.410 120.300 0.294 0.000 4.569 503 Y HA -0.210 4.341 4.550 0.001 0.000 0.237 503 Y C 0.501 176.590 175.900 0.314 0.000 1.090 503 Y CA 0.406 58.689 58.100 0.306 0.000 2.052 503 Y CB -2.141 36.485 38.460 0.276 0.000 1.621 503 Y HN 0.987 nan 8.280 nan 0.000 0.682 504 A N 1.208 124.255 122.820 0.378 0.000 2.440 504 A HA 0.570 4.890 4.320 0.001 0.000 0.251 504 A C 0.717 178.532 177.584 0.385 0.000 1.089 504 A CA -0.399 51.867 52.037 0.381 0.000 0.779 504 A CB 0.398 19.659 19.000 0.435 0.000 1.022 504 A HN 0.415 nan 8.150 nan 0.000 0.492 505 R N 1.453 122.110 120.500 0.261 0.000 2.546 505 R HA 0.337 4.678 4.340 0.001 0.000 0.266 505 R C 1.006 177.288 176.300 -0.029 0.000 1.086 505 R CA -0.730 55.452 56.100 0.137 0.000 1.160 505 R CB 0.528 30.875 30.300 0.079 0.000 1.138 505 R HN 0.482 nan 8.270 nan 0.000 0.567 506 V N 0.657 120.396 119.914 -0.293 0.000 2.283 506 V HA -0.198 3.922 4.120 0.001 0.000 0.243 506 V C 1.019 177.012 176.094 -0.169 0.000 1.039 506 V CA 1.883 63.981 62.300 -0.336 0.000 1.016 506 V CB -0.271 31.237 31.823 -0.526 0.000 0.650 506 V HN 0.746 nan 8.190 nan 0.000 0.449 507 D N -1.453 118.876 120.400 -0.118 0.000 2.455 507 D HA 0.082 4.723 4.640 0.001 0.000 0.228 507 D C 0.990 177.280 176.300 -0.016 0.000 1.070 507 D CA 0.039 54.003 54.000 -0.059 0.000 0.881 507 D CB 0.557 41.326 40.800 -0.052 0.000 1.087 507 D HN 0.452 nan 8.370 nan 0.000 0.498 508 E N 2.063 122.257 120.200 -0.009 0.000 2.194 508 E HA 0.068 4.419 4.350 0.001 0.000 0.284 508 E C -0.740 175.869 176.600 0.015 0.000 1.035 508 E CA -0.478 55.925 56.400 0.005 0.000 0.836 508 E CB 0.822 30.525 29.700 0.005 0.000 1.070 508 E HN -0.120 nan 8.360 nan 0.000 0.401 509 D N 3.711 124.122 120.400 0.019 0.000 2.304 509 D HA 0.112 4.752 4.640 0.001 0.000 0.247 509 D C -0.500 175.717 176.300 -0.139 0.000 1.089 509 D CA 0.202 54.217 54.000 0.024 0.000 0.910 509 D CB 1.149 42.042 40.800 0.155 0.000 1.199 509 D HN 0.430 nan 8.370 nan 0.000 0.426 510 Q N 1.446 121.049 119.800 -0.328 0.000 2.932 510 Q HA 0.221 4.561 4.340 0.001 0.000 0.248 510 Q C -2.206 173.218 176.000 -0.959 0.000 0.982 510 Q CA -1.489 53.917 55.803 -0.662 0.000 0.730 510 Q CB 2.223 30.556 28.738 -0.674 0.000 1.249 510 Q HN 0.189 nan 8.270 nan 0.000 0.476 511 P HA -0.076 nan 4.420 nan 0.000 0.237 511 P C -0.674 176.339 177.300 -0.478 0.000 1.701 511 P CA 0.186 62.905 63.100 -0.635 0.000 0.955 511 P CB -0.651 30.894 31.700 -0.259 0.000 1.937 512 F N 1.733 121.502 119.950 -0.302 0.000 2.506 512 F HA 0.167 4.694 4.527 0.001 0.000 0.351 512 F C -1.245 174.449 175.800 -0.177 0.000 1.136 512 F CA -2.354 55.534 58.000 -0.188 0.000 1.298 512 F CB -0.544 38.364 39.000 -0.154 0.000 1.145 512 F HN 0.043 nan 8.300 nan 0.000 0.593 513 P HA 0.110 nan 4.420 nan 0.000 0.268 513 P C 0.239 177.553 177.300 0.024 0.000 1.204 513 P CA 1.104 64.223 63.100 0.031 0.000 0.768 513 P CB 1.122 32.841 31.700 0.032 0.000 0.842 514 A N 2.907 125.735 122.820 0.014 0.000 2.617 514 A HA -0.255 4.065 4.320 0.001 0.000 0.236 514 A C 0.821 178.413 177.584 0.012 0.000 0.514 514 A CA 2.147 54.197 52.037 0.021 0.000 1.126 514 A CB -2.687 16.327 19.000 0.024 0.000 1.393 514 A HN 0.647 nan 8.150 nan 0.000 0.693 515 V N -2.724 117.190 119.914 -0.000 0.000 2.572 515 V HA 0.537 4.658 4.120 0.001 0.000 0.274 515 V C -2.039 174.038 176.094 -0.028 0.000 1.075 515 V CA -1.225 61.072 62.300 -0.005 0.000 1.237 515 V CB 0.429 32.250 31.823 -0.004 0.000 1.517 515 V HN 0.549 nan 8.190 nan 0.000 0.616 516 P HA 0.239 nan 4.420 nan 0.000 0.269 516 P C -0.661 176.221 177.300 -0.696 0.000 1.215 516 P CA 0.092 62.822 63.100 -0.616 0.000 0.780 516 P CB 1.105 32.003 31.700 -1.336 0.000 0.898 517 K N 2.410 122.468 120.400 -0.570 0.000 2.478 517 K HA 0.218 4.538 4.320 0.001 0.000 0.236 517 K C -0.477 175.867 176.600 -0.427 0.000 1.021 517 K CA -0.273 55.861 56.287 -0.256 0.000 1.010 517 K CB 0.476 33.088 32.500 0.187 0.000 1.331 517 K HN 0.477 nan 8.250 nan 0.000 0.470 518 W N 1.408 122.406 121.300 -0.502 0.000 2.161 518 W HA 0.076 4.737 4.660 0.001 0.000 0.344 518 W C 1.301 177.827 176.519 0.011 0.000 1.262 518 W CA -0.576 56.561 57.345 -0.347 0.000 1.270 518 W CB 0.550 29.625 29.460 -0.643 0.000 1.126 518 W HN 0.381 nan 8.180 nan 0.000 0.598 519 S N 3.335 119.192 115.700 0.261 0.000 2.558 519 S HA -0.081 4.389 4.470 0.001 0.000 0.293 519 S C 1.177 175.926 174.600 0.248 0.000 1.292 519 S CA -0.173 58.129 58.200 0.170 0.000 1.063 519 S CB 0.195 63.439 63.200 0.073 0.000 0.831 519 S HN 0.525 nan 8.310 nan 0.000 0.499 520 I N 1.994 122.680 120.570 0.194 0.000 2.361 520 I HA -0.144 4.027 4.170 0.001 0.000 0.251 520 I C 2.044 178.190 176.117 0.048 0.000 1.133 520 I CA 1.235 62.649 61.300 0.190 0.000 1.413 520 I CB -0.430 37.624 38.000 0.089 0.000 1.073 520 I HN 0.609 nan 8.210 nan 0.000 0.424 521 K N 1.580 121.911 120.400 -0.116 0.000 2.057 521 K HA -0.166 4.155 4.320 0.001 0.000 0.206 521 K C 2.299 178.896 176.600 -0.004 0.000 1.050 521 K CA 1.709 57.837 56.287 -0.266 0.000 0.935 521 K CB -0.199 32.085 32.500 -0.360 0.000 0.715 521 K HN 0.385 nan 8.250 nan 0.000 0.439 522 K N 0.206 120.630 120.400 0.040 0.000 2.103 522 K HA -0.166 4.155 4.320 0.001 0.000 0.204 522 K C 1.910 178.550 176.600 0.065 0.000 1.052 522 K CA 0.802 57.103 56.287 0.024 0.000 0.945 522 K CB -0.063 32.415 32.500 -0.036 0.000 0.722 522 K HN 0.206 nan 8.250 nan 0.000 0.443 523 W N 2.122 123.422 121.300 -0.000 0.000 2.321 523 W HA -0.204 4.457 4.660 0.001 0.000 0.306 523 W C 1.644 178.163 176.519 -0.001 0.000 1.217 523 W CA 1.223 58.588 57.345 0.033 0.000 1.257 523 W CB -0.649 28.891 29.460 0.135 0.000 1.145 523 W HN 0.096 nan 8.180 nan 0.000 0.509 524 L N 0.737 122.125 121.223 0.274 0.000 2.079 524 L HA -0.257 4.083 4.340 0.001 0.000 0.210 524 L C 2.334 179.278 176.870 0.123 0.000 1.081 524 L CA 2.041 56.975 54.840 0.157 0.000 0.752 524 L CB -1.084 41.052 42.059 0.130 0.000 0.896 524 L HN -0.028 nan 8.230 nan 0.000 0.433 525 S N -1.278 114.481 115.700 0.098 0.000 2.577 525 S HA 0.225 4.695 4.470 0.001 0.000 0.219 525 S C 0.627 175.227 174.600 -0.000 0.000 0.962 525 S CA -0.500 57.728 58.200 0.047 0.000 0.921 525 S CB -0.506 62.718 63.200 0.041 0.000 0.789 525 S HN 0.162 nan 8.310 nan 0.000 0.497 526 L N 2.121 123.339 121.223 -0.009 0.000 2.514 526 L HA 0.182 4.523 4.340 0.001 0.000 0.280 526 L C -2.214 174.635 176.870 -0.034 0.000 1.223 526 L CA -1.578 53.211 54.840 -0.084 0.000 0.864 526 L CB -0.343 41.650 42.059 -0.110 0.000 1.118 526 L HN 0.029 nan 8.230 nan 0.000 0.494 527 P HA -0.061 nan 4.420 nan 0.000 0.255 527 P C 0.736 178.036 177.300 -0.001 0.000 1.161 527 P CA 1.230 64.313 63.100 -0.028 0.000 0.768 527 P CB 0.381 32.057 31.700 -0.040 0.000 0.746 528 G N 1.959 110.765 108.800 0.010 0.000 2.199 528 G HA2 -0.266 3.695 3.960 0.001 0.000 0.254 528 G HA3 -0.266 3.695 3.960 0.001 0.000 0.254 528 G C 0.263 175.184 174.900 0.036 0.000 0.982 528 G CA -0.013 45.101 45.100 0.022 0.000 0.632 528 G HN 0.597 nan 8.290 nan 0.000 0.529 529 E N 1.078 121.307 120.200 0.047 0.000 2.316 529 E HA 0.598 4.948 4.350 0.001 0.000 0.275 529 E C 1.345 177.975 176.600 0.050 0.000 1.029 529 E CA 0.672 57.112 56.400 0.067 0.000 0.871 529 E CB 0.845 30.614 29.700 0.114 0.000 1.022 529 E HN 0.565 nan 8.360 nan 0.000 0.418 530 T N 0.560 115.138 114.554 0.041 0.000 3.080 530 T HA 0.316 4.667 4.350 0.001 0.000 0.280 530 T C 0.514 175.226 174.700 0.020 0.000 0.926 530 T CA -0.445 61.673 62.100 0.030 0.000 0.883 530 T CB 0.087 68.972 68.868 0.027 0.000 1.194 530 T HN 0.259 nan 8.240 nan 0.000 0.541 531 R N 2.569 123.076 120.500 0.012 0.000 2.615 531 R HA 0.456 4.796 4.340 0.001 0.000 0.270 531 R C -2.475 173.807 176.300 -0.030 0.000 1.081 531 R CA -1.820 54.275 56.100 -0.008 0.000 1.154 531 R CB 0.110 30.398 30.300 -0.020 0.000 1.063 531 R HN 0.273 nan 8.270 nan 0.000 0.519 532 P HA 0.093 nan 4.420 nan 0.000 0.276 532 P C -1.093 176.140 177.300 -0.112 0.000 1.244 532 P CA -0.179 62.883 63.100 -0.064 0.000 0.801 532 P CB 0.877 32.542 31.700 -0.058 0.000 1.006 533 L N 3.124 124.261 121.223 -0.143 0.000 2.325 533 L HA 0.578 4.919 4.340 0.001 0.000 0.281 533 L C -0.910 175.821 176.870 -0.231 0.000 1.004 533 L CA -0.779 53.937 54.840 -0.207 0.000 0.823 533 L CB 0.619 42.546 42.059 -0.220 0.000 1.236 533 L HN 0.256 nan 8.230 nan 0.000 0.415 534 I N 5.809 126.248 120.570 -0.218 0.000 2.500 534 I HA 0.247 4.417 4.170 0.001 0.000 0.286 534 I C -0.785 175.245 176.117 -0.145 0.000 1.063 534 I CA -0.579 60.587 61.300 -0.224 0.000 1.062 534 I CB 1.988 39.918 38.000 -0.117 0.000 1.223 534 I HN 0.482 nan 8.210 nan 0.000 0.435 535 L N 5.595 126.703 121.223 -0.191 0.000 2.462 535 L HA 0.033 4.373 4.340 0.001 0.000 0.272 535 L C 1.495 178.443 176.870 0.131 0.000 1.166 535 L CA -0.188 54.604 54.840 -0.080 0.000 0.880 535 L CB 0.536 42.515 42.059 -0.133 0.000 1.142 535 L HN 0.860 nan 8.230 nan 0.000 0.473 536 C N 0.299 119.651 119.300 0.088 0.000 2.468 536 C HA 0.156 4.617 4.460 0.001 0.000 0.277 536 C C 0.667 175.787 174.990 0.217 0.000 1.400 536 C CA -0.206 58.894 59.018 0.137 0.000 1.770 536 C CB -1.050 26.685 27.740 -0.008 0.000 1.905 536 C HN 0.835 nan 8.230 nan 0.000 0.519 537 E N -0.908 119.359 120.200 0.112 0.000 2.321 537 E HA 0.607 4.958 4.350 0.001 0.000 0.281 537 E C -1.397 175.125 176.600 -0.130 0.000 0.910 537 E CA -0.396 56.039 56.400 0.058 0.000 0.770 537 E CB 2.101 31.682 29.700 -0.198 0.000 1.225 537 E HN 0.638 nan 8.360 nan 0.000 0.417 538 Y N -0.714 119.539 120.300 -0.078 0.000 2.702 538 Y HA 0.573 5.123 4.550 0.001 0.000 0.336 538 Y C -0.843 175.203 175.900 0.244 0.000 1.203 538 Y CA -0.635 57.445 58.100 -0.032 0.000 1.072 538 Y CB 0.793 39.116 38.460 -0.228 0.000 1.327 538 Y HN 0.679 nan 8.280 nan 0.000 0.456 539 A N 2.187 125.047 122.820 0.067 0.000 2.475 539 A HA -0.257 4.064 4.320 0.001 0.000 0.295 539 A C -0.328 177.373 177.584 0.193 0.000 1.457 539 A CA 1.055 53.129 52.037 0.061 0.000 0.734 539 A CB -2.492 16.415 19.000 -0.154 0.000 1.118 539 A HN 1.210 nan 8.150 nan 0.000 0.400 540 H N 0.553 119.791 119.070 0.280 0.000 3.184 540 H HA 0.262 4.819 4.556 0.001 0.000 0.274 540 H C 0.995 176.390 175.328 0.112 0.000 0.962 540 H CA 0.998 57.224 56.048 0.297 0.000 1.441 540 H CB 0.486 30.316 29.762 0.113 0.000 1.518 540 H HN 0.836 nan 8.280 nan 0.000 0.539 541 A N 5.253 128.002 122.820 -0.120 0.000 3.105 541 A HA 0.391 4.712 4.320 0.001 0.000 0.272 541 A C 0.793 178.257 177.584 -0.202 0.000 1.466 541 A CA 0.013 51.957 52.037 -0.155 0.000 1.101 541 A CB -0.578 18.312 19.000 -0.183 0.000 1.065 541 A HN 0.733 nan 8.150 nan 0.000 0.643 542 A N 0.393 123.103 122.820 -0.182 0.000 2.396 542 A HA 0.564 4.885 4.320 0.001 0.000 0.279 542 A C 1.372 178.823 177.584 -0.221 0.000 1.165 542 A CA 0.514 52.444 52.037 -0.178 0.000 0.824 542 A CB -0.734 18.215 19.000 -0.084 0.000 1.100 542 A HN 2.226 nan 8.150 nan 0.000 0.516 543 G N 2.537 111.186 108.800 -0.252 0.000 2.574 543 G HA2 -0.323 3.637 3.960 0.001 0.000 0.286 543 G HA3 -0.323 3.637 3.960 0.001 0.000 0.286 543 G C 0.415 174.831 174.900 -0.806 0.000 1.212 543 G CA 0.312 45.080 45.100 -0.554 0.000 0.979 543 G HN 1.202 nan 8.290 nan 0.000 0.557 544 N N 1.355 119.390 118.700 -1.107 0.000 2.466 544 N HA 0.471 5.211 4.740 0.001 0.000 0.263 544 N C 0.062 175.319 175.510 -0.421 0.000 1.178 544 N CA 1.121 53.706 53.050 -0.775 0.000 0.983 544 N CB 0.403 38.462 38.487 -0.713 0.000 1.331 544 N HN 0.785 nan 8.380 nan 0.000 0.500 545 S N 2.049 117.589 115.700 -0.268 0.000 2.998 545 S HA 0.599 5.069 4.470 0.001 0.000 0.323 545 S C -0.097 174.436 174.600 -0.112 0.000 1.141 545 S CA -0.370 57.727 58.200 -0.172 0.000 0.873 545 S CB 0.131 63.256 63.200 -0.125 0.000 1.315 545 S HN 0.378 nan 8.310 nan 0.000 0.637 546 L N 0.178 121.368 121.223 -0.055 0.000 4.406 546 L HA -0.052 4.289 4.340 0.001 0.000 0.406 546 L C 0.423 177.331 176.870 0.064 0.000 1.133 546 L CA 0.883 55.715 54.840 -0.013 0.000 0.974 546 L CB -1.713 40.255 42.059 -0.152 0.000 2.152 546 L HN 0.713 nan 8.230 nan 0.000 0.736 547 G N -0.787 108.022 108.800 0.015 0.000 2.378 547 G HA2 0.491 4.451 3.960 0.001 0.000 0.255 547 G HA3 0.491 4.451 3.960 0.001 0.000 0.255 547 G C 1.208 176.151 174.900 0.073 0.000 1.270 547 G CA 0.139 45.226 45.100 -0.021 0.000 0.876 547 G HN 1.423 nan 8.290 nan 0.000 0.521 548 G N 1.561 110.397 108.800 0.060 0.000 2.157 548 G HA2 -0.312 3.649 3.960 0.001 0.000 0.248 548 G HA3 -0.312 3.649 3.960 0.001 0.000 0.248 548 G C 0.964 176.051 174.900 0.311 0.000 0.979 548 G CA 0.725 45.915 45.100 0.150 0.000 0.650 548 G HN 0.786 nan 8.290 nan 0.000 0.529 549 F N 1.770 121.840 119.950 0.201 0.000 2.126 549 F HA 0.147 4.675 4.527 0.001 0.000 0.299 549 F C 2.639 178.649 175.800 0.350 0.000 1.096 549 F CA 2.435 60.628 58.000 0.320 0.000 1.255 549 F CB -0.442 38.685 39.000 0.211 0.000 0.997 549 F HN 0.344 nan 8.300 nan 0.000 0.479 550 A N -0.292 122.684 122.820 0.260 0.000 2.019 550 A HA -0.238 4.083 4.320 0.001 0.000 0.219 550 A C 2.285 179.886 177.584 0.027 0.000 1.164 550 A CA 1.735 53.853 52.037 0.135 0.000 0.644 550 A CB -0.815 18.275 19.000 0.150 0.000 0.805 550 A HN 0.461 nan 8.150 nan 0.000 0.449 551 K N -1.661 118.744 120.400 0.009 0.000 2.148 551 K HA -0.163 4.158 4.320 0.001 0.000 0.204 551 K C 1.660 178.047 176.600 -0.356 0.000 1.050 551 K CA 1.486 57.697 56.287 -0.126 0.000 0.942 551 K CB -0.299 32.132 32.500 -0.116 0.000 0.724 551 K HN 0.573 nan 8.250 nan 0.000 0.446 552 Y N -0.927 119.116 120.300 -0.428 0.000 2.163 552 Y HA -0.218 4.332 4.550 0.001 0.000 0.288 552 Y C 1.877 176.796 175.900 -1.635 0.000 1.136 552 Y CA 1.494 58.991 58.100 -1.006 0.000 1.147 552 Y CB -0.234 37.656 38.460 -0.951 0.000 0.987 552 Y HN 0.161 nan 8.280 nan 0.000 0.509 553 W N -0.079 120.756 121.300 -0.775 0.000 2.402 553 W HA -0.157 4.503 4.660 0.001 0.000 0.286 553 W C 2.564 178.894 176.519 -0.315 0.000 1.221 553 W CA 1.239 58.252 57.345 -0.552 0.000 1.257 553 W CB -0.428 28.811 29.460 -0.367 0.000 1.120 553 W HN 0.050 nan 8.180 nan 0.000 0.551 554 Q N 0.835 120.545 119.800 -0.150 0.000 2.079 554 Q HA -0.149 4.191 4.340 0.001 0.000 0.200 554 Q C 2.169 178.107 176.000 -0.103 0.000 0.974 554 Q CA 1.996 57.755 55.803 -0.074 0.000 0.840 554 Q CB -0.534 28.174 28.738 -0.050 0.000 0.898 554 Q HN 0.264 nan 8.270 nan 0.000 0.430 555 A N 0.215 122.883 122.820 -0.254 0.000 1.873 555 A HA -0.127 4.193 4.320 0.001 0.000 0.215 555 A C 1.838 179.384 177.584 -0.064 0.000 1.186 555 A CA 1.201 53.116 52.037 -0.203 0.000 0.616 555 A CB -0.829 17.938 19.000 -0.389 0.000 0.823 555 A HN 0.365 nan 8.150 nan 0.000 0.442 556 F N 0.296 120.069 119.950 -0.294 0.000 2.126 556 F HA -0.143 4.384 4.527 0.001 0.000 0.299 556 F C 2.510 178.212 175.800 -0.165 0.000 1.096 556 F CA 1.303 59.096 58.000 -0.345 0.000 1.255 556 F CB -0.873 37.699 39.000 -0.714 0.000 0.997 556 F HN 0.184 nan 8.300 nan 0.000 0.479 557 R N -0.258 120.297 120.500 0.091 0.000 2.148 557 R HA -0.132 4.208 4.340 0.001 0.000 0.223 557 R C 2.127 178.465 176.300 0.063 0.000 1.088 557 R CA 1.024 57.165 56.100 0.068 0.000 0.985 557 R CB -0.398 29.939 30.300 0.061 0.000 0.880 557 R HN 0.412 nan 8.270 nan 0.000 0.451 558 Q N -0.233 119.633 119.800 0.110 0.000 2.212 558 Q HA -0.039 4.302 4.340 0.001 0.000 0.199 558 Q C -0.430 175.616 176.000 0.077 0.000 0.950 558 Q CA 0.798 56.661 55.803 0.099 0.000 0.863 558 Q CB 0.396 29.222 28.738 0.146 0.000 0.944 558 Q HN 0.168 nan 8.270 nan 0.000 0.465 559 Y N 0.372 120.658 120.300 -0.024 0.000 2.367 559 Y HA 0.260 4.810 4.550 0.001 0.000 0.342 559 Y C -1.781 174.097 175.900 -0.037 0.000 0.979 559 Y CA -2.784 55.302 58.100 -0.024 0.000 1.161 559 Y CB 1.336 39.787 38.460 -0.016 0.000 1.155 559 Y HN 0.141 nan 8.280 nan 0.000 0.503 560 P HA -0.156 nan 4.420 nan 0.000 0.215 560 P C 1.121 178.426 177.300 0.009 0.000 1.153 560 P CA 1.812 64.918 63.100 0.010 0.000 0.853 560 P CB 0.305 31.995 31.700 -0.016 0.000 0.788 561 R N -1.178 119.348 120.500 0.043 0.000 2.307 561 R HA 0.106 4.446 4.340 0.001 0.000 0.199 561 R C 0.405 176.689 176.300 -0.027 0.000 1.000 561 R CA 0.129 56.235 56.100 0.010 0.000 1.023 561 R CB -0.434 29.884 30.300 0.031 0.000 0.908 561 R HN 0.242 nan 8.270 nan 0.000 0.473 562 L N 1.884 123.105 121.223 -0.004 0.000 2.282 562 L HA 0.148 4.488 4.340 0.001 0.000 0.287 562 L C 0.452 177.180 176.870 -0.238 0.000 1.075 562 L CA 0.121 54.904 54.840 -0.095 0.000 0.839 562 L CB 1.200 43.266 42.059 0.011 0.000 1.219 562 L HN 0.073 nan 8.230 nan 0.000 0.434 563 Q N 2.885 122.475 119.800 -0.350 0.000 2.211 563 Q HA 0.315 4.655 4.340 0.001 0.000 0.231 563 Q C 0.813 176.397 176.000 -0.692 0.000 0.865 563 Q CA 0.055 55.612 55.803 -0.411 0.000 0.997 563 Q CB 1.008 29.597 28.738 -0.248 0.000 1.101 563 Q HN 0.945 nan 8.270 nan 0.000 0.468 564 G N -0.337 107.648 108.800 -1.358 0.000 2.451 564 G HA2 0.083 4.044 3.960 0.001 0.000 0.208 564 G HA3 0.083 4.044 3.960 0.001 0.000 0.208 564 G C -0.259 173.835 174.900 -1.343 0.000 1.248 564 G CA -0.752 43.206 45.100 -1.902 0.000 0.989 564 G HN 0.603 nan 8.290 nan 0.000 0.559 565 G N -2.308 105.983 108.800 -0.849 0.000 2.349 565 G HA2 0.644 4.605 3.960 0.001 0.000 0.294 565 G HA3 0.644 4.605 3.960 0.001 0.000 0.294 565 G C -1.768 173.086 174.900 -0.077 0.000 1.380 565 G CA -0.246 44.598 45.100 -0.428 0.000 0.811 565 G HN 1.172 nan 8.290 nan 0.000 0.519 566 F N 0.737 120.908 119.950 0.368 0.000 2.402 566 F HA 0.533 5.060 4.527 0.001 0.000 0.355 566 F C 0.830 176.916 175.800 0.477 0.000 1.123 566 F CA -0.812 57.441 58.000 0.422 0.000 1.021 566 F CB 1.868 41.015 39.000 0.244 0.000 1.160 566 F HN 0.251 nan 8.300 nan 0.000 0.451 567 V N 3.139 123.358 119.914 0.510 0.000 3.032 567 V HA -0.143 3.977 4.120 0.001 0.000 0.307 567 V C -0.265 175.979 176.094 0.249 0.000 1.097 567 V CA -0.197 62.194 62.300 0.152 0.000 1.191 567 V CB 0.728 32.644 31.823 0.156 0.000 0.964 567 V HN 0.794 nan 8.190 nan 0.000 0.494 568 W N 6.236 127.592 121.300 0.093 0.000 2.338 568 W HA 0.465 5.125 4.660 0.001 0.000 0.315 568 W C -0.967 175.540 176.519 -0.020 0.000 1.005 568 W CA -0.689 56.740 57.345 0.140 0.000 1.380 568 W CB 1.340 31.021 29.460 0.369 0.000 1.235 568 W HN 0.933 nan 8.180 nan 0.000 0.409 569 D N 2.378 122.484 120.400 -0.490 0.000 3.057 569 D HA 0.092 4.732 4.640 0.001 0.000 0.328 569 D C 0.729 176.821 176.300 -0.347 0.000 1.317 569 D CA -0.506 53.124 54.000 -0.617 0.000 0.973 569 D CB 0.207 40.115 40.800 -1.486 0.000 1.424 569 D HN 0.375 nan 8.370 nan 0.000 0.569 570 W N 0.371 121.372 121.300 -0.499 0.000 2.380 570 W HA 0.122 4.782 4.660 0.001 0.000 0.317 570 W C 0.040 176.336 176.519 -0.371 0.000 1.196 570 W CA 1.329 58.428 57.345 -0.410 0.000 1.307 570 W CB 0.306 29.549 29.460 -0.363 0.000 1.157 570 W HN 0.147 nan 8.180 nan 0.000 0.483 571 V N 2.484 122.147 119.914 -0.420 0.000 2.735 571 V HA 0.250 4.370 4.120 0.001 0.000 0.310 571 V C -0.854 175.026 176.094 -0.356 0.000 1.061 571 V CA -0.810 61.194 62.300 -0.494 0.000 0.913 571 V CB 1.525 33.170 31.823 -0.298 0.000 1.005 571 V HN -0.098 nan 8.190 nan 0.000 0.428 572 D N 3.918 124.107 120.400 -0.351 0.000 2.488 572 D HA 0.114 4.754 4.640 0.001 0.000 0.238 572 D C 0.242 176.374 176.300 -0.280 0.000 1.138 572 D CA 0.670 54.526 54.000 -0.239 0.000 0.873 572 D CB 0.857 41.604 40.800 -0.087 0.000 1.183 572 D HN 0.616 nan 8.370 nan 0.000 0.458 573 Q N 1.093 120.673 119.800 -0.367 0.000 3.041 573 Q HA 0.144 4.484 4.340 0.001 0.000 0.372 573 Q C -0.188 175.743 176.000 -0.115 0.000 1.241 573 Q CA -0.347 55.007 55.803 -0.748 0.000 1.010 573 Q CB 0.142 28.576 28.738 -0.506 0.000 1.467 573 Q HN 0.370 nan 8.270 nan 0.000 0.462 574 S N -0.216 115.529 115.700 0.076 0.000 2.616 574 S HA 0.655 5.126 4.470 0.001 0.000 0.277 574 S C -0.118 174.647 174.600 0.275 0.000 1.234 574 S CA -0.753 57.618 58.200 0.284 0.000 1.028 574 S CB 1.484 64.833 63.200 0.247 0.000 0.988 574 S HN 0.320 nan 8.310 nan 0.000 0.522 575 L N 1.425 122.736 121.223 0.147 0.000 2.333 575 L HA 0.586 4.926 4.340 0.001 0.000 0.269 575 L C -0.479 176.303 176.870 -0.146 0.000 1.010 575 L CA -1.085 53.721 54.840 -0.057 0.000 0.818 575 L CB 1.613 43.511 42.059 -0.269 0.000 1.306 575 L HN 0.638 nan 8.230 nan 0.000 0.430 576 I N 1.835 122.258 120.570 -0.244 0.000 2.365 576 I HA 0.280 4.450 4.170 0.001 0.000 0.291 576 I C -0.115 175.604 176.117 -0.663 0.000 1.004 576 I CA -0.180 60.835 61.300 -0.475 0.000 1.311 576 I CB 1.048 38.778 38.000 -0.450 0.000 1.401 576 I HN 0.507 nan 8.210 nan 0.000 0.491 577 K N 5.018 124.735 120.400 -1.139 0.000 2.400 577 K HA 0.608 4.928 4.320 0.001 0.000 0.246 577 K C -1.697 174.143 176.600 -1.267 0.000 0.995 577 K CA -0.820 54.765 56.287 -1.169 0.000 0.840 577 K CB 2.392 33.910 32.500 -1.636 0.000 1.293 577 K HN 0.255 nan 8.250 nan 0.000 0.445 578 Y N 0.494 120.554 120.300 -0.400 0.000 2.485 578 Y HA 0.167 4.717 4.550 0.001 0.000 0.345 578 Y C 0.150 176.131 175.900 0.134 0.000 0.998 578 Y CA -1.146 56.890 58.100 -0.106 0.000 1.059 578 Y CB 1.231 39.650 38.460 -0.068 0.000 1.234 578 Y HN 0.682 nan 8.280 nan 0.000 0.461 579 D N -0.294 120.337 120.400 0.385 0.000 2.447 579 D HA 0.030 4.670 4.640 0.001 0.000 0.265 579 D C 1.010 177.416 176.300 0.177 0.000 1.250 579 D CA -0.384 53.789 54.000 0.288 0.000 1.046 579 D CB 0.339 41.263 40.800 0.206 0.000 1.095 579 D HN 0.763 nan 8.370 nan 0.000 0.555 580 E N -0.634 119.633 120.200 0.112 0.000 2.209 580 E HA -0.254 4.097 4.350 0.001 0.000 0.196 580 E C 0.499 177.134 176.600 0.058 0.000 0.993 580 E CA 0.930 57.371 56.400 0.069 0.000 0.819 580 E CB -0.406 29.320 29.700 0.042 0.000 0.745 580 E HN 0.322 nan 8.360 nan 0.000 0.477 581 N N 0.374 119.117 118.700 0.073 0.000 2.270 581 N HA 0.068 4.809 4.740 0.001 0.000 0.198 581 N C 0.749 176.302 175.510 0.071 0.000 1.117 581 N CA 0.791 53.877 53.050 0.059 0.000 0.845 581 N CB 1.192 39.712 38.487 0.055 0.000 0.980 581 N HN 0.445 nan 8.380 nan 0.000 0.486 582 G N 1.085 109.946 108.800 0.102 0.000 2.148 582 G HA2 -0.248 3.712 3.960 0.001 0.000 0.254 582 G HA3 -0.248 3.712 3.960 0.001 0.000 0.254 582 G C -0.153 174.893 174.900 0.243 0.000 0.981 582 G CA -0.346 44.823 45.100 0.115 0.000 0.670 582 G HN 0.284 nan 8.290 nan 0.000 0.528 583 N N 1.973 120.808 118.700 0.225 0.000 2.458 583 N HA 0.382 5.122 4.740 0.001 0.000 0.270 583 N C -2.364 173.270 175.510 0.208 0.000 1.102 583 N CA -0.899 52.274 53.050 0.205 0.000 0.967 583 N CB 1.786 40.363 38.487 0.150 0.000 1.078 583 N HN 0.245 nan 8.380 nan 0.000 0.471 584 P HA 0.253 nan 4.420 nan 0.000 0.279 584 P C -0.570 176.668 177.300 -0.102 0.000 1.239 584 P CA -0.350 62.586 63.100 -0.273 0.000 0.789 584 P CB 0.751 32.269 31.700 -0.304 0.000 0.933 585 W N 0.027 121.083 121.300 -0.407 0.000 3.107 585 W HA 0.437 5.098 4.660 0.001 0.000 0.331 585 W C -1.368 174.965 176.519 -0.310 0.000 1.204 585 W CA -1.150 55.956 57.345 -0.398 0.000 1.184 585 W CB 0.458 29.406 29.460 -0.853 0.000 1.421 585 W HN 0.132 nan 8.180 nan 0.000 0.544 586 S N 1.628 117.407 115.700 0.132 0.000 2.474 586 S HA 0.554 5.024 4.470 0.001 0.000 0.276 586 S C 0.165 174.942 174.600 0.295 0.000 1.227 586 S CA -0.238 58.038 58.200 0.126 0.000 1.050 586 S CB 0.791 64.117 63.200 0.210 0.000 0.939 586 S HN 0.595 nan 8.310 nan 0.000 0.490 587 A N 3.068 125.921 122.820 0.054 0.000 2.337 587 A HA 0.883 5.204 4.320 0.001 0.000 0.331 587 A C -0.713 177.101 177.584 0.384 0.000 1.137 587 A CA -0.759 51.346 52.037 0.114 0.000 0.807 587 A CB 0.702 19.443 19.000 -0.432 0.000 1.250 587 A HN 0.834 nan 8.150 nan 0.000 0.468 588 Y N -0.712 119.899 120.300 0.518 0.000 2.944 588 Y HA 0.767 5.318 4.550 0.001 0.000 0.312 588 Y C 0.683 176.956 175.900 0.621 0.000 1.417 588 Y CA -1.450 56.972 58.100 0.536 0.000 1.105 588 Y CB -0.093 38.506 38.460 0.232 0.000 1.364 588 Y HN 0.940 nan 8.280 nan 0.000 0.540 589 G N -0.018 109.176 108.800 0.658 0.000 2.138 589 G HA2 0.355 4.315 3.960 0.001 0.000 0.244 589 G HA3 0.355 4.315 3.960 0.001 0.000 0.244 589 G C 0.961 176.188 174.900 0.545 0.000 1.166 589 G CA 0.574 45.993 45.100 0.531 0.000 0.902 589 G HN 1.996 nan 8.290 nan 0.000 0.460 590 G N 2.253 111.344 108.800 0.484 0.000 2.234 590 G HA2 -0.273 3.688 3.960 0.001 0.000 0.235 590 G HA3 -0.273 3.688 3.960 0.001 0.000 0.235 590 G C 0.898 175.987 174.900 0.314 0.000 0.997 590 G CA 0.648 45.964 45.100 0.360 0.000 0.623 590 G HN 0.640 nan 8.290 nan 0.000 0.514 591 D N -0.100 120.490 120.400 0.316 0.000 2.371 591 D HA 0.132 4.772 4.640 0.001 0.000 0.221 591 D C 1.260 177.462 176.300 -0.163 0.000 0.986 591 D CA 0.511 54.546 54.000 0.059 0.000 0.899 591 D CB -0.181 40.583 40.800 -0.061 0.000 0.902 591 D HN 0.478 nan 8.370 nan 0.000 0.530 592 F N -0.667 119.399 119.950 0.193 0.000 2.668 592 F HA 0.310 4.838 4.527 0.001 0.000 0.301 592 F C 1.804 177.684 175.800 0.133 0.000 1.106 592 F CA -0.206 57.870 58.000 0.126 0.000 1.289 592 F CB 0.717 39.785 39.000 0.113 0.000 1.006 592 F HN -0.049 nan 8.300 nan 0.000 0.535 593 G N 0.311 109.266 108.800 0.258 0.000 2.179 593 G HA2 -0.290 3.670 3.960 0.001 0.000 0.260 593 G HA3 -0.290 3.670 3.960 0.001 0.000 0.260 593 G C -0.120 174.913 174.900 0.221 0.000 0.977 593 G CA 0.181 45.400 45.100 0.199 0.000 0.641 593 G HN 0.426 nan 8.290 nan 0.000 0.533 594 D N 0.519 121.099 120.400 0.299 0.000 2.417 594 D HA 0.484 5.124 4.640 0.001 0.000 0.250 594 D C 0.085 176.503 176.300 0.198 0.000 1.166 594 D CA 1.021 55.183 54.000 0.271 0.000 0.881 594 D CB 1.499 42.516 40.800 0.362 0.000 1.164 594 D HN 0.359 nan 8.370 nan 0.000 0.467 595 T N 1.423 116.063 114.554 0.143 0.000 3.047 595 T HA 0.378 4.728 4.350 0.001 0.000 0.340 595 T C -2.708 172.027 174.700 0.058 0.000 1.421 595 T CA -1.084 61.072 62.100 0.093 0.000 1.090 595 T CB 1.319 70.243 68.868 0.092 0.000 1.292 595 T HN 0.427 nan 8.240 nan 0.000 0.480 596 P HA 0.460 nan 4.420 nan 0.000 0.272 596 P C -1.026 176.262 177.300 -0.020 0.000 1.240 596 P CA -0.328 62.770 63.100 -0.003 0.000 0.791 596 P CB 0.499 32.175 31.700 -0.041 0.000 0.978 597 N N -1.824 116.859 118.700 -0.028 0.000 2.732 597 N HA 0.239 4.979 4.740 0.001 0.000 0.259 597 N C -1.023 174.428 175.510 -0.099 0.000 1.402 597 N CA -0.787 52.224 53.050 -0.065 0.000 0.829 597 N CB 0.694 39.232 38.487 0.085 0.000 1.495 597 N HN 0.135 nan 8.380 nan 0.000 0.511 598 D N -0.107 120.186 120.400 -0.177 0.000 2.755 598 D HA 0.124 4.765 4.640 0.001 0.000 0.257 598 D C 0.484 176.948 176.300 0.273 0.000 1.291 598 D CA -0.174 53.778 54.000 -0.081 0.000 0.836 598 D CB 0.165 40.761 40.800 -0.339 0.000 1.059 598 D HN 0.689 nan 8.370 nan 0.000 0.486 599 R N 0.918 121.596 120.500 0.297 0.000 3.614 599 R HA -0.326 4.015 4.340 0.001 0.000 0.542 599 R C 1.174 177.571 176.300 0.162 0.000 0.241 599 R CA 1.517 57.825 56.100 0.346 0.000 1.684 599 R CB -1.620 28.798 30.300 0.198 0.000 0.889 599 R HN 0.173 nan 8.270 nan 0.000 0.611 600 Q N 1.739 121.319 119.800 -0.367 0.000 2.444 600 Q HA 0.025 4.365 4.340 0.001 0.000 0.206 600 Q C 1.618 177.410 176.000 -0.347 0.000 0.948 600 Q CA 1.229 56.601 55.803 -0.719 0.000 0.946 600 Q CB -0.116 27.937 28.738 -1.141 0.000 1.027 600 Q HN 0.609 nan 8.270 nan 0.000 0.513 601 F N 1.457 121.330 119.950 -0.129 0.000 2.664 601 F HA -0.080 4.447 4.527 0.001 0.000 0.297 601 F C 1.869 177.640 175.800 -0.049 0.000 1.164 601 F CA 0.833 58.840 58.000 0.012 0.000 1.472 601 F CB -0.105 38.966 39.000 0.118 0.000 1.108 601 F HN 0.415 nan 8.300 nan 0.000 0.596 602 C N -1.637 117.434 119.300 -0.382 0.000 2.697 602 C HA 0.325 4.785 4.460 0.001 0.000 0.267 602 C C 0.869 175.676 174.990 -0.305 0.000 1.278 602 C CA -0.542 58.066 59.018 -0.684 0.000 1.708 602 C CB -1.572 25.202 27.740 -1.610 0.000 1.860 602 C HN 0.161 nan 8.230 nan 0.000 0.589 603 M N 2.668 122.143 119.600 -0.209 0.000 2.027 603 M HA 0.306 4.786 4.480 0.001 0.000 0.329 603 M C -0.598 175.609 176.300 -0.155 0.000 0.971 603 M CA 0.306 55.514 55.300 -0.153 0.000 0.933 603 M CB 0.218 32.766 32.600 -0.086 0.000 1.392 603 M HN 0.344 nan 8.290 nan 0.000 0.394 604 N N 0.637 119.227 118.700 -0.184 0.000 2.232 604 N HA 0.195 4.935 4.740 0.001 0.000 0.240 604 N C 0.372 175.675 175.510 -0.344 0.000 1.307 604 N CA -0.529 52.366 53.050 -0.259 0.000 0.859 604 N CB 1.162 39.509 38.487 -0.232 0.000 1.260 604 N HN 0.652 nan 8.380 nan 0.000 0.501 605 G N 0.056 108.616 108.800 -0.400 0.000 2.537 605 G HA2 0.322 4.282 3.960 0.001 0.000 0.273 605 G HA3 0.322 4.282 3.960 0.001 0.000 0.273 605 G C 0.708 175.183 174.900 -0.708 0.000 1.189 605 G CA -0.538 44.229 45.100 -0.555 0.000 0.881 605 G HN 0.125 nan 8.290 nan 0.000 0.535 606 L N -0.063 120.740 121.223 -0.699 0.000 2.395 606 L HA 0.118 4.458 4.340 0.001 0.000 0.218 606 L C 0.888 177.202 176.870 -0.927 0.000 1.130 606 L CA 0.355 54.812 54.840 -0.639 0.000 0.826 606 L CB -0.349 41.454 42.059 -0.425 0.000 0.941 606 L HN 0.398 nan 8.230 nan 0.000 0.451 607 V N -5.153 114.051 119.914 -1.183 0.000 2.962 607 V HA 0.477 4.598 4.120 0.001 0.000 0.313 607 V C -0.224 175.317 176.094 -0.923 0.000 1.099 607 V CA -1.296 60.400 62.300 -1.006 0.000 0.971 607 V CB 1.602 32.896 31.823 -0.881 0.000 1.028 607 V HN -0.137 nan 8.190 nan 0.000 0.430 608 F N 1.563 121.279 119.950 -0.390 0.000 2.480 608 F HA 0.560 5.087 4.527 0.001 0.000 0.319 608 F C 1.990 177.679 175.800 -0.185 0.000 1.230 608 F CA 0.582 58.500 58.000 -0.138 0.000 1.285 608 F CB 0.688 39.694 39.000 0.010 0.000 1.208 608 F HN 0.778 nan 8.300 nan 0.000 0.579 609 A N 0.593 123.486 122.820 0.122 0.000 1.986 609 A HA -0.225 4.095 4.320 0.001 0.000 0.220 609 A C 1.539 179.100 177.584 -0.040 0.000 1.171 609 A CA 1.924 53.987 52.037 0.043 0.000 0.640 609 A CB -1.027 18.036 19.000 0.105 0.000 0.811 609 A HN 0.788 nan 8.150 nan 0.000 0.451 610 D N -3.069 117.323 120.400 -0.014 0.000 2.319 610 D HA 0.178 4.819 4.640 0.001 0.000 0.230 610 D C 0.618 176.903 176.300 -0.025 0.000 1.094 610 D CA -0.129 53.835 54.000 -0.061 0.000 0.856 610 D CB -0.085 40.680 40.800 -0.059 0.000 0.915 610 D HN 0.171 nan 8.370 nan 0.000 0.517 611 R N -1.713 118.770 120.500 -0.028 0.000 3.963 611 R HA -0.129 4.212 4.340 0.001 0.000 0.394 611 R C -0.380 175.918 176.300 -0.003 0.000 1.131 611 R CA 1.042 57.115 56.100 -0.045 0.000 1.059 611 R CB -3.260 27.052 30.300 0.021 0.000 1.614 611 R HN 0.267 nan 8.270 nan 0.000 0.546 612 T N 2.224 116.830 114.554 0.086 0.000 2.870 612 T HA 0.334 4.685 4.350 0.001 0.000 0.300 612 T C -2.311 172.518 174.700 0.214 0.000 0.989 612 T CA -0.825 61.366 62.100 0.152 0.000 1.139 612 T CB 1.064 70.016 68.868 0.140 0.000 0.920 612 T HN -0.093 nan 8.240 nan 0.000 0.537 613 P HA 0.149 nan 4.420 nan 0.000 0.271 613 P C -0.155 177.187 177.300 0.070 0.000 1.216 613 P CA -0.130 62.970 63.100 -0.001 0.000 0.776 613 P CB 0.394 32.100 31.700 0.010 0.000 0.881 614 H N 3.159 122.050 119.070 -0.299 0.000 2.488 614 H HA 0.123 4.679 4.556 0.001 0.000 0.347 614 H C -1.329 173.890 175.328 -0.181 0.000 1.174 614 H CA -1.978 53.854 56.048 -0.359 0.000 1.307 614 H CB 0.708 30.213 29.762 -0.427 0.000 1.517 614 H HN 0.348 nan 8.280 nan 0.000 0.554 615 P HA -0.202 nan 4.420 nan 0.000 0.216 615 P C 1.173 178.468 177.300 -0.009 0.000 1.150 615 P CA 1.668 64.751 63.100 -0.029 0.000 0.843 615 P CB 0.073 31.754 31.700 -0.033 0.000 0.787 616 A N -0.618 122.199 122.820 -0.005 0.000 1.986 616 A HA -0.213 4.107 4.320 0.001 0.000 0.220 616 A C 2.079 179.611 177.584 -0.087 0.000 1.171 616 A CA 1.440 53.440 52.037 -0.062 0.000 0.640 616 A CB -1.638 17.304 19.000 -0.096 0.000 0.811 616 A HN 0.175 nan 8.150 nan 0.000 0.451 617 L N -0.534 120.657 121.223 -0.052 0.000 2.079 617 L HA -0.140 4.200 4.340 0.001 0.000 0.210 617 L C 2.511 179.425 176.870 0.073 0.000 1.081 617 L CA 2.781 57.628 54.840 0.011 0.000 0.752 617 L CB -1.043 41.019 42.059 0.005 0.000 0.896 617 L HN 0.393 nan 8.230 nan 0.000 0.433 618 T N -1.682 112.916 114.554 0.074 0.000 2.867 618 T HA -0.190 4.161 4.350 0.001 0.000 0.268 618 T C 1.804 176.609 174.700 0.175 0.000 1.057 618 T CA 1.383 63.578 62.100 0.158 0.000 1.136 618 T CB -0.129 68.808 68.868 0.115 0.000 0.874 618 T HN 0.487 nan 8.240 nan 0.000 0.466 619 E N 0.701 120.947 120.200 0.076 0.000 2.150 619 E HA 0.076 4.427 4.350 0.001 0.000 0.193 619 E C 2.095 178.719 176.600 0.040 0.000 0.985 619 E CA 1.298 57.751 56.400 0.087 0.000 0.814 619 E CB -0.544 29.172 29.700 0.027 0.000 0.752 619 E HN 0.542 nan 8.360 nan 0.000 0.466 620 A N 0.876 123.614 122.820 -0.136 0.000 1.897 620 A HA -0.156 4.165 4.320 0.001 0.000 0.215 620 A C 2.152 179.635 177.584 -0.169 0.000 1.181 620 A CA 1.666 53.585 52.037 -0.196 0.000 0.620 620 A CB -0.547 18.312 19.000 -0.235 0.000 0.821 620 A HN 0.242 nan 8.150 nan 0.000 0.443 621 K N -1.124 119.243 120.400 -0.055 0.000 2.063 621 K HA -0.280 4.041 4.320 0.001 0.000 0.208 621 K C 2.046 178.543 176.600 -0.172 0.000 1.048 621 K CA 1.976 58.236 56.287 -0.045 0.000 0.928 621 K CB -0.335 32.286 32.500 0.202 0.000 0.713 621 K HN 0.638 nan 8.250 nan 0.000 0.442 622 H N 0.390 119.282 119.070 -0.297 0.000 2.299 622 H HA -0.020 4.537 4.556 0.001 0.000 0.302 622 H C 1.974 177.027 175.328 -0.459 0.000 1.078 622 H CA 1.771 57.456 56.048 -0.606 0.000 1.323 622 H CB 0.042 29.502 29.762 -0.502 0.000 1.381 622 H HN 0.201 nan 8.280 nan 0.000 0.498 623 Q N 0.257 119.816 119.800 -0.402 0.000 2.224 623 Q HA -0.095 4.246 4.340 0.001 0.000 0.203 623 Q C 1.563 177.019 176.000 -0.907 0.000 0.970 623 Q CA 1.219 56.694 55.803 -0.545 0.000 0.865 623 Q CB 0.028 28.586 28.738 -0.300 0.000 0.922 623 Q HN 0.706 nan 8.270 nan 0.000 0.445 624 Q N -0.030 119.199 119.800 -0.952 0.000 2.320 624 Q HA 0.082 4.423 4.340 0.001 0.000 0.201 624 Q C -0.140 175.295 176.000 -0.941 0.000 0.910 624 Q CA -0.236 54.852 55.803 -1.192 0.000 0.946 624 Q CB 0.397 28.466 28.738 -1.114 0.000 1.062 624 Q HN 0.386 nan 8.270 nan 0.000 0.503 625 Q N -0.389 119.012 119.800 -0.665 0.000 2.354 625 Q HA -0.082 4.258 4.340 0.001 0.000 0.310 625 Q C -0.104 175.531 176.000 -0.609 0.000 1.104 625 Q CA 0.483 56.023 55.803 -0.439 0.000 0.968 625 Q CB 0.410 28.987 28.738 -0.269 0.000 1.251 625 Q HN 0.305 nan 8.270 nan 0.000 0.411 626 F N 0.232 119.964 119.950 -0.364 0.000 2.727 626 F HA 0.207 4.735 4.527 0.001 0.000 0.302 626 F C -0.089 175.184 175.800 -0.878 0.000 1.097 626 F CA 0.013 57.561 58.000 -0.754 0.000 1.330 626 F CB 0.541 38.761 39.000 -1.300 0.000 1.084 626 F HN 0.306 nan 8.300 nan 0.000 0.578 627 F N 0.381 120.241 119.950 -0.149 0.000 2.507 627 F HA 0.478 5.005 4.527 0.001 0.000 0.325 627 F C -0.072 175.388 175.800 -0.568 0.000 1.116 627 F CA -1.126 56.678 58.000 -0.326 0.000 0.930 627 F CB 1.240 40.065 39.000 -0.293 0.000 1.146 627 F HN -0.330 nan 8.300 nan 0.000 0.447 628 Q N 3.032 122.581 119.800 -0.419 0.000 2.266 628 Q HA 0.578 4.918 4.340 0.001 0.000 0.261 628 Q C -1.287 174.433 176.000 -0.467 0.000 0.985 628 Q CA -0.600 55.009 55.803 -0.323 0.000 0.873 628 Q CB 2.615 31.279 28.738 -0.124 0.000 1.306 628 Q HN 0.508 nan 8.270 nan 0.000 0.447 629 F N 0.172 120.247 119.950 0.209 0.000 2.563 629 F HA 0.619 5.147 4.527 0.001 0.000 0.316 629 F C 0.371 176.427 175.800 0.426 0.000 1.076 629 F CA -0.892 57.313 58.000 0.342 0.000 0.921 629 F CB 1.790 41.129 39.000 0.565 0.000 1.209 629 F HN 0.124 nan 8.300 nan 0.000 0.462 630 R N 1.481 122.285 120.500 0.507 0.000 2.725 630 R HA 0.741 5.081 4.340 0.001 0.000 0.277 630 R C -2.048 174.271 176.300 0.031 0.000 0.987 630 R CA -1.215 55.092 56.100 0.345 0.000 0.901 630 R CB 3.146 33.553 30.300 0.179 0.000 1.207 630 R HN 0.626 nan 8.270 nan 0.000 0.463 631 L N 0.339 121.458 121.223 -0.173 0.000 2.386 631 L HA 0.558 4.898 4.340 0.001 0.000 0.271 631 L C -1.063 175.652 176.870 -0.258 0.000 0.993 631 L CA -0.043 54.496 54.840 -0.502 0.000 0.819 631 L CB 2.251 43.562 42.059 -1.247 0.000 1.294 631 L HN 0.587 nan 8.230 nan 0.000 0.414 632 S N 3.593 119.163 115.700 -0.217 0.000 2.673 632 S HA 0.666 5.136 4.470 0.001 0.000 0.256 632 S C 0.257 174.771 174.600 -0.143 0.000 1.141 632 S CA 0.264 58.383 58.200 -0.136 0.000 1.109 632 S CB 0.207 63.358 63.200 -0.083 0.000 1.101 632 S HN 1.634 nan 8.310 nan 0.000 0.471 633 G N 4.635 113.351 108.800 -0.139 0.000 2.574 633 G HA2 -0.288 3.673 3.960 0.001 0.000 0.301 633 G HA3 -0.288 3.673 3.960 0.001 0.000 0.301 633 G C 0.401 175.202 174.900 -0.164 0.000 1.166 633 G CA 0.634 45.658 45.100 -0.127 0.000 0.971 633 G HN 0.646 nan 8.290 nan 0.000 0.542 634 Q N 1.241 120.950 119.800 -0.152 0.000 2.282 634 Q HA 0.226 4.567 4.340 0.001 0.000 0.206 634 Q C 0.579 176.458 176.000 -0.202 0.000 0.878 634 Q CA 0.789 56.482 55.803 -0.184 0.000 0.944 634 Q CB 0.708 29.356 28.738 -0.150 0.000 1.100 634 Q HN 0.528 nan 8.270 nan 0.000 0.509 635 T N 1.400 115.846 114.554 -0.180 0.000 2.795 635 T HA 0.542 4.892 4.350 0.001 0.000 0.282 635 T C 0.212 174.797 174.700 -0.191 0.000 0.980 635 T CA -0.272 61.733 62.100 -0.158 0.000 1.012 635 T CB 1.176 69.982 68.868 -0.103 0.000 0.936 635 T HN -0.005 nan 8.240 nan 0.000 0.457 636 I N 2.699 123.173 120.570 -0.160 0.000 2.354 636 I HA 0.321 4.492 4.170 0.001 0.000 0.292 636 I C 0.417 176.532 176.117 -0.003 0.000 0.989 636 I CA -0.619 60.603 61.300 -0.131 0.000 1.188 636 I CB 1.524 39.467 38.000 -0.096 0.000 1.342 636 I HN 0.561 nan 8.210 nan 0.000 0.457 637 E N 6.613 126.839 120.200 0.044 0.000 2.113 637 E HA 0.400 4.750 4.350 0.001 0.000 0.273 637 E C -1.493 175.180 176.600 0.121 0.000 0.924 637 E CA -0.583 55.858 56.400 0.068 0.000 0.764 637 E CB 1.553 31.281 29.700 0.046 0.000 1.104 637 E HN 0.340 nan 8.360 nan 0.000 0.406 638 V N 4.451 124.418 119.914 0.089 0.000 2.370 638 V HA 0.277 4.398 4.120 0.001 0.000 0.279 638 V C 0.039 176.130 176.094 -0.006 0.000 1.029 638 V CA -0.482 61.825 62.300 0.012 0.000 0.870 638 V CB 1.577 33.435 31.823 0.058 0.000 0.984 638 V HN 0.688 nan 8.190 nan 0.000 0.451 639 T N 3.476 117.988 114.554 -0.070 0.000 2.797 639 T HA 0.349 4.699 4.350 0.001 0.000 0.279 639 T C 0.001 174.686 174.700 -0.025 0.000 0.991 639 T CA -0.263 61.818 62.100 -0.031 0.000 0.979 639 T CB 1.560 70.398 68.868 -0.049 0.000 0.943 639 T HN 0.662 nan 8.240 nan 0.000 0.444 640 S N 1.730 117.428 115.700 -0.003 0.000 2.499 640 S HA 0.230 4.700 4.470 0.001 0.000 0.279 640 S C 0.675 175.160 174.600 -0.191 0.000 1.219 640 S CA -0.603 57.536 58.200 -0.101 0.000 1.062 640 S CB 0.548 63.764 63.200 0.026 0.000 0.978 640 S HN 0.711 nan 8.310 nan 0.000 0.489 641 E N 3.182 123.169 120.200 -0.354 0.000 2.465 641 E HA 0.099 4.450 4.350 0.001 0.000 0.195 641 E C -0.806 175.635 176.600 -0.265 0.000 1.028 641 E CA -0.099 56.132 56.400 -0.282 0.000 0.899 641 E CB 0.341 29.854 29.700 -0.311 0.000 1.032 641 E HN 0.685 nan 8.360 nan 0.000 0.468 642 Y N 0.288 120.478 120.300 -0.184 0.000 2.336 642 Y HA 0.062 4.612 4.550 0.001 0.000 0.331 642 Y C 1.444 177.188 175.900 -0.259 0.000 1.211 642 Y CA -0.145 57.843 58.100 -0.187 0.000 1.346 642 Y CB 0.907 39.234 38.460 -0.222 0.000 1.271 642 Y HN -0.043 nan 8.280 nan 0.000 0.538 643 L N 1.017 122.090 121.223 -0.250 0.000 2.470 643 L HA 0.071 4.411 4.340 0.001 0.000 0.219 643 L C 0.599 176.978 176.870 -0.819 0.000 1.071 643 L CA 0.593 55.010 54.840 -0.706 0.000 0.850 643 L CB 0.061 41.363 42.059 -1.262 0.000 1.040 643 L HN 0.634 nan 8.230 nan 0.000 0.475 644 F N -0.459 119.507 119.950 0.028 0.000 2.699 644 F HA 0.215 4.743 4.527 0.001 0.000 0.295 644 F C 1.232 177.018 175.800 -0.023 0.000 1.052 644 F CA -0.789 57.201 58.000 -0.016 0.000 1.239 644 F CB 0.253 39.222 39.000 -0.052 0.000 1.018 644 F HN -0.144 nan 8.300 nan 0.000 0.627 645 R N 0.333 120.875 120.500 0.070 0.000 2.536 645 R HA 0.444 4.785 4.340 0.001 0.000 0.279 645 R C -1.033 175.265 176.300 -0.004 0.000 1.001 645 R CA -0.633 55.452 56.100 -0.026 0.000 1.027 645 R CB 0.861 31.029 30.300 -0.220 0.000 1.096 645 R HN 0.078 nan 8.270 nan 0.000 0.502 646 H N 0.597 119.647 119.070 -0.033 0.000 2.505 646 H HA 0.117 4.674 4.556 0.001 0.000 0.355 646 H C -0.007 175.335 175.328 0.024 0.000 1.179 646 H CA 0.054 56.116 56.048 0.024 0.000 1.343 646 H CB 1.330 31.111 29.762 0.032 0.000 1.501 646 H HN 0.768 nan 8.280 nan 0.000 0.569 647 S N 1.934 117.579 115.700 -0.093 0.000 4.085 647 S HA -0.038 4.432 4.470 0.001 0.000 0.189 647 S C 0.107 174.792 174.600 0.142 0.000 1.392 647 S CA -0.226 58.037 58.200 0.105 0.000 0.972 647 S CB -0.816 62.485 63.200 0.169 0.000 1.482 647 S HN 0.709 nan 8.310 nan 0.000 0.446 648 D N 0.626 121.119 120.400 0.155 0.000 2.324 648 D HA -0.000 4.640 4.640 0.001 0.000 0.235 648 D C 0.375 176.725 176.300 0.083 0.000 1.095 648 D CA -0.031 54.052 54.000 0.139 0.000 0.871 648 D CB -0.388 40.478 40.800 0.111 0.000 0.906 648 D HN 0.525 nan 8.370 nan 0.000 0.522 649 N N -0.060 118.689 118.700 0.081 0.000 2.636 649 N HA 0.139 4.880 4.740 0.001 0.000 0.287 649 N C -1.602 173.958 175.510 0.082 0.000 1.817 649 N CA -0.242 52.847 53.050 0.064 0.000 0.842 649 N CB 0.351 38.864 38.487 0.042 0.000 1.353 649 N HN -0.087 nan 8.380 nan 0.000 0.500 650 E N -0.057 120.184 120.200 0.069 0.000 2.308 650 E HA 0.532 4.883 4.350 0.001 0.000 0.275 650 E C -1.806 174.803 176.600 0.014 0.000 0.890 650 E CA -0.680 55.739 56.400 0.031 0.000 0.754 650 E CB 2.404 32.084 29.700 -0.034 0.000 1.207 650 E HN 0.180 nan 8.360 nan 0.000 0.426 651 L N 3.034 124.258 121.223 0.002 0.000 2.438 651 L HA 0.553 4.893 4.340 0.001 0.000 0.270 651 L C -1.989 174.907 176.870 0.043 0.000 0.972 651 L CA -0.863 54.010 54.840 0.056 0.000 0.831 651 L CB 1.645 43.771 42.059 0.111 0.000 1.273 651 L HN 0.566 nan 8.230 nan 0.000 0.405 652 L N 5.359 126.668 121.223 0.144 0.000 2.260 652 L HA 0.460 4.800 4.340 0.001 0.000 0.289 652 L C -0.705 176.388 176.870 0.373 0.000 1.057 652 L CA 0.311 55.271 54.840 0.201 0.000 0.811 652 L CB 0.364 42.554 42.059 0.218 0.000 1.184 652 L HN 0.638 nan 8.230 nan 0.000 0.429 653 H N 5.731 124.879 119.070 0.129 0.000 2.467 653 H HA 0.388 4.945 4.556 0.001 0.000 0.326 653 H C -1.068 174.354 175.328 0.156 0.000 1.094 653 H CA -0.794 55.296 56.048 0.070 0.000 1.253 653 H CB 0.986 30.751 29.762 0.005 0.000 1.439 653 H HN 0.700 nan 8.280 nan 0.000 0.479 654 W N 3.596 124.987 121.300 0.151 0.000 2.781 654 W HA 0.593 5.254 4.660 0.001 0.000 0.345 654 W C -1.747 174.822 176.519 0.083 0.000 1.085 654 W CA -1.284 56.130 57.345 0.115 0.000 1.198 654 W CB 1.483 30.998 29.460 0.091 0.000 1.423 654 W HN 0.438 nan 8.180 nan 0.000 0.532 655 M N 3.208 123.025 119.600 0.362 0.000 2.371 655 M HA 0.559 5.039 4.480 0.001 0.000 0.287 655 M C -2.455 174.047 176.300 0.337 0.000 1.149 655 M CA -0.468 54.941 55.300 0.181 0.000 0.929 655 M CB 2.193 34.819 32.600 0.044 0.000 1.683 655 M HN 0.220 nan 8.290 nan 0.000 0.470 656 V N 4.000 124.097 119.914 0.304 0.000 2.444 656 V HA 0.990 5.110 4.120 0.001 0.000 0.294 656 V C -0.538 175.666 176.094 0.183 0.000 1.022 656 V CA -0.283 62.187 62.300 0.284 0.000 0.850 656 V CB 1.168 33.176 31.823 0.308 0.000 0.992 656 V HN 1.031 nan 8.190 nan 0.000 0.426 657 A N 4.652 127.586 122.820 0.190 0.000 2.454 657 A HA 0.921 5.241 4.320 0.001 0.000 0.302 657 A C -1.449 176.247 177.584 0.186 0.000 1.079 657 A CA -0.657 51.457 52.037 0.129 0.000 0.731 657 A CB 1.775 20.805 19.000 0.050 0.000 1.299 657 A HN 0.811 nan 8.150 nan 0.000 0.413 658 L N 1.508 122.810 121.223 0.130 0.000 2.276 658 L HA 0.487 4.827 4.340 0.001 0.000 0.286 658 L C -0.520 176.432 176.870 0.136 0.000 1.024 658 L CA 0.227 55.159 54.840 0.155 0.000 0.826 658 L CB 0.320 42.439 42.059 0.100 0.000 1.211 658 L HN 0.764 nan 8.230 nan 0.000 0.422 659 D N 4.859 125.400 120.400 0.234 0.000 2.692 659 D HA -0.219 4.421 4.640 0.001 0.000 0.233 659 D C 1.153 177.437 176.300 -0.027 0.000 1.172 659 D CA 1.404 55.512 54.000 0.181 0.000 0.636 659 D CB -0.947 39.938 40.800 0.141 0.000 1.028 659 D HN 1.191 nan 8.370 nan 0.000 0.419 660 G N -0.475 108.267 108.800 -0.096 0.000 2.205 660 G HA2 -0.374 3.586 3.960 0.001 0.000 0.261 660 G HA3 -0.374 3.586 3.960 0.001 0.000 0.261 660 G C 0.276 175.071 174.900 -0.175 0.000 0.980 660 G CA 0.594 45.540 45.100 -0.257 0.000 0.632 660 G HN 0.478 nan 8.290 nan 0.000 0.533 661 K N 2.365 122.719 120.400 -0.077 0.000 2.268 661 K HA 0.405 4.726 4.320 0.001 0.000 0.276 661 K C -2.339 174.243 176.600 -0.029 0.000 1.080 661 K CA -1.745 54.507 56.287 -0.058 0.000 0.910 661 K CB 1.707 34.191 32.500 -0.027 0.000 1.163 661 K HN 0.153 nan 8.250 nan 0.000 0.465 662 P HA -0.057 nan 4.420 nan 0.000 0.264 662 P C -0.349 176.946 177.300 -0.008 0.000 1.193 662 P CA -0.065 63.016 63.100 -0.031 0.000 0.763 662 P CB 0.920 32.580 31.700 -0.068 0.000 0.810 663 L N 2.998 124.237 121.223 0.026 0.000 2.526 663 L HA 0.434 4.774 4.340 0.001 0.000 0.210 663 L C 1.135 178.031 176.870 0.043 0.000 1.048 663 L CA 1.109 55.973 54.840 0.040 0.000 0.852 663 L CB -0.665 41.437 42.059 0.071 0.000 1.128 663 L HN 0.485 nan 8.230 nan 0.000 0.482 664 A N -1.486 121.374 122.820 0.068 0.000 2.594 664 A HA 0.808 5.128 4.320 0.001 0.000 0.295 664 A C -0.854 176.645 177.584 -0.143 0.000 1.071 664 A CA 0.218 52.287 52.037 0.053 0.000 0.685 664 A CB 1.562 20.717 19.000 0.259 0.000 1.285 664 A HN 0.091 nan 8.150 nan 0.000 0.405 665 S N -0.466 114.893 115.700 -0.567 0.000 2.587 665 S HA 0.942 5.413 4.470 0.001 0.000 0.269 665 S C -0.313 173.424 174.600 -1.438 0.000 1.154 665 S CA 0.024 57.511 58.200 -1.189 0.000 0.824 665 S CB 1.053 63.908 63.200 -0.574 0.000 1.118 665 S HN 2.640 nan 8.310 nan 0.000 0.462 666 G N 0.109 107.847 108.800 -1.771 0.000 2.430 666 G HA2 0.619 4.580 3.960 0.001 0.000 0.300 666 G HA3 0.619 4.580 3.960 0.001 0.000 0.300 666 G C -2.156 172.344 174.900 -0.666 0.000 1.330 666 G CA -0.365 44.160 45.100 -0.959 0.000 0.813 666 G HN 1.178 nan 8.290 nan 0.000 0.487 667 E N -1.648 118.445 120.200 -0.179 0.000 2.367 667 E HA 0.727 5.078 4.350 0.001 0.000 0.273 667 E C -1.672 175.038 176.600 0.183 0.000 0.903 667 E CA -1.054 55.360 56.400 0.024 0.000 0.764 667 E CB 2.756 32.375 29.700 -0.134 0.000 1.252 667 E HN 0.502 nan 8.360 nan 0.000 0.446 668 V N 1.676 121.735 119.914 0.240 0.000 2.733 668 V HA 0.394 4.514 4.120 0.001 0.000 0.306 668 V C -2.544 173.644 176.094 0.157 0.000 1.084 668 V CA -2.024 60.391 62.300 0.191 0.000 0.905 668 V CB 1.975 33.919 31.823 0.201 0.000 1.010 668 V HN 0.683 nan 8.190 nan 0.000 0.424 669 P HA 0.300 nan 4.420 nan 0.000 0.271 669 P C -0.715 176.635 177.300 0.084 0.000 1.216 669 P CA -0.091 63.068 63.100 0.098 0.000 0.771 669 P CB 0.551 32.303 31.700 0.087 0.000 0.864 670 L N 3.361 124.618 121.223 0.057 0.000 2.276 670 L HA 0.321 4.662 4.340 0.001 0.000 0.286 670 L C 0.402 177.301 176.870 0.048 0.000 1.061 670 L CA 0.162 55.016 54.840 0.025 0.000 0.807 670 L CB 0.746 42.759 42.059 -0.076 0.000 1.177 670 L HN 0.353 nan 8.230 nan 0.000 0.429 671 D N 3.123 123.556 120.400 0.056 0.000 2.443 671 D HA 0.333 4.973 4.640 0.001 0.000 0.281 671 D C -1.248 175.036 176.300 -0.026 0.000 1.210 671 D CA -0.182 53.883 54.000 0.107 0.000 0.875 671 D CB 0.920 41.838 40.800 0.196 0.000 1.125 671 D HN 0.038 nan 8.370 nan 0.000 0.503 672 V N 1.674 121.437 119.914 -0.251 0.000 2.448 672 V HA 0.809 4.930 4.120 0.001 0.000 0.295 672 V C 0.798 176.606 176.094 -0.476 0.000 1.025 672 V CA -1.134 61.046 62.300 -0.200 0.000 0.859 672 V CB 1.315 33.161 31.823 0.039 0.000 0.988 672 V HN 0.559 nan 8.190 nan 0.000 0.431 673 A N 7.246 129.959 122.820 -0.177 0.000 2.366 673 A HA 0.652 4.973 4.320 0.001 0.000 0.249 673 A C -2.155 175.435 177.584 0.011 0.000 1.084 673 A CA -1.370 50.680 52.037 0.021 0.000 0.794 673 A CB -0.097 18.999 19.000 0.160 0.000 1.034 673 A HN 0.681 nan 8.150 nan 0.000 0.491 674 P HA 0.004 nan 4.420 nan 0.000 0.265 674 P C -0.487 176.805 177.300 -0.013 0.000 1.193 674 P CA 0.579 63.690 63.100 0.017 0.000 0.765 674 P CB 0.765 32.462 31.700 -0.004 0.000 0.823 675 Q N -1.219 118.559 119.800 -0.038 0.000 2.305 675 Q HA -0.162 4.179 4.340 0.001 0.000 0.203 675 Q C 0.806 176.793 176.000 -0.021 0.000 0.663 675 Q CA 1.885 57.659 55.803 -0.049 0.000 1.389 675 Q CB -2.545 26.159 28.738 -0.056 0.000 1.566 675 Q HN 0.789 nan 8.270 nan 0.000 0.755 676 G N 0.239 109.039 108.800 -0.000 0.000 2.543 676 G HA2 0.547 4.508 3.960 0.001 0.000 0.290 676 G HA3 0.547 4.508 3.960 0.001 0.000 0.290 676 G C -0.217 174.694 174.900 0.018 0.000 1.310 676 G CA -0.493 44.616 45.100 0.014 0.000 1.025 676 G HN -0.010 nan 8.290 nan 0.000 0.502 677 K N -0.714 119.701 120.400 0.025 0.000 2.443 677 K HA 0.470 4.790 4.320 0.001 0.000 0.251 677 K C -1.030 175.592 176.600 0.036 0.000 0.972 677 K CA -0.651 55.653 56.287 0.028 0.000 0.833 677 K CB 2.640 35.152 32.500 0.020 0.000 1.317 677 K HN 0.534 nan 8.250 nan 0.000 0.441 678 Q N 2.396 122.220 119.800 0.041 0.000 2.331 678 Q HA 0.399 4.740 4.340 0.001 0.000 0.272 678 Q C -1.702 174.323 176.000 0.041 0.000 1.062 678 Q CA -0.663 55.167 55.803 0.044 0.000 0.806 678 Q CB 1.585 30.353 28.738 0.051 0.000 1.312 678 Q HN 0.534 nan 8.270 nan 0.000 0.431 679 L N 5.108 126.349 121.223 0.030 0.000 2.272 679 L HA 0.544 4.884 4.340 0.001 0.000 0.289 679 L C -0.534 176.342 176.870 0.011 0.000 1.032 679 L CA -0.592 54.257 54.840 0.015 0.000 0.810 679 L CB 1.278 43.339 42.059 0.003 0.000 1.205 679 L HN 0.580 nan 8.230 nan 0.000 0.422 680 I N 2.848 123.418 120.570 0.000 0.000 2.382 680 I HA 0.231 4.402 4.170 0.001 0.000 0.286 680 I C -0.241 175.831 176.117 -0.075 0.000 1.002 680 I CA -0.605 60.687 61.300 -0.014 0.000 1.135 680 I CB 1.997 40.008 38.000 0.017 0.000 1.288 680 I HN 0.511 nan 8.210 nan 0.000 0.448 681 E N 6.587 126.741 120.200 -0.076 0.000 2.130 681 E HA 0.375 4.725 4.350 0.001 0.000 0.284 681 E C -0.817 175.677 176.600 -0.176 0.000 1.018 681 E CA -0.281 56.051 56.400 -0.114 0.000 0.817 681 E CB 0.805 30.462 29.700 -0.073 0.000 1.078 681 E HN 0.425 nan 8.360 nan 0.000 0.396 682 L N 6.766 127.822 121.223 -0.279 0.000 2.426 682 L HA 0.317 4.658 4.340 0.001 0.000 0.271 682 L C -1.599 175.098 176.870 -0.288 0.000 1.169 682 L CA -1.703 52.868 54.840 -0.448 0.000 0.836 682 L CB 0.486 42.184 42.059 -0.601 0.000 1.112 682 L HN 0.514 nan 8.230 nan 0.000 0.465 683 P HA -0.018 nan 4.420 nan 0.000 0.273 683 P C -0.686 176.563 177.300 -0.085 0.000 1.250 683 P CA -0.563 62.486 63.100 -0.085 0.000 0.793 683 P CB 0.478 32.203 31.700 0.041 0.000 1.011 684 E N 0.972 121.153 120.200 -0.033 0.000 2.614 684 E HA -0.002 4.348 4.350 0.001 0.000 0.245 684 E C -0.536 176.063 176.600 -0.002 0.000 1.039 684 E CA -0.032 56.353 56.400 -0.024 0.000 0.948 684 E CB -0.345 29.351 29.700 -0.006 0.000 0.937 684 E HN 0.300 nan 8.360 nan 0.000 0.498 685 L N 8.450 129.660 121.223 -0.020 0.000 2.295 685 L HA 0.302 4.643 4.340 0.001 0.000 0.288 685 L C -1.712 175.173 176.870 0.025 0.000 1.079 685 L CA -2.080 52.770 54.840 0.017 0.000 0.830 685 L CB 0.458 42.511 42.059 -0.010 0.000 1.200 685 L HN 0.472 nan 8.230 nan 0.000 0.438 686 P HA 0.005 nan 4.420 nan 0.000 0.264 686 P C -0.828 176.490 177.300 0.031 0.000 1.193 686 P CA -0.361 62.758 63.100 0.033 0.000 0.763 686 P CB 0.725 32.449 31.700 0.039 0.000 0.810 687 Q N 4.552 124.364 119.800 0.020 0.000 2.311 687 Q HA 0.208 4.549 4.340 0.001 0.000 0.272 687 Q C -1.648 174.366 176.000 0.024 0.000 1.012 687 Q CA -0.978 54.836 55.803 0.019 0.000 0.891 687 Q CB -0.636 28.108 28.738 0.010 0.000 1.201 687 Q HN 0.437 nan 8.270 nan 0.000 0.391 688 P HA 0.065 nan 4.420 nan 0.000 0.274 688 P C -0.334 176.981 177.300 0.025 0.000 1.231 688 P CA -0.270 62.849 63.100 0.031 0.000 0.790 688 P CB 1.193 32.918 31.700 0.041 0.000 0.951 689 E N 0.278 120.491 120.200 0.023 0.000 2.042 689 E HA -0.026 4.324 4.350 0.001 0.000 0.189 689 E C 1.063 177.676 176.600 0.022 0.000 0.974 689 E CA 0.720 57.132 56.400 0.019 0.000 0.806 689 E CB -0.869 28.841 29.700 0.017 0.000 0.769 689 E HN 0.463 nan 8.360 nan 0.000 0.451 690 S N 0.284 115.999 115.700 0.025 0.000 2.576 690 S HA 0.293 4.764 4.470 0.001 0.000 0.272 690 S C 0.137 174.758 174.600 0.034 0.000 1.352 690 S CA -0.021 58.196 58.200 0.028 0.000 1.021 690 S CB 0.527 63.744 63.200 0.029 0.000 0.887 690 S HN 0.240 nan 8.310 nan 0.000 0.542 691 A N 2.155 124.996 122.820 0.035 0.000 2.332 691 A HA 0.735 5.056 4.320 0.001 0.000 0.258 691 A C 0.861 178.477 177.584 0.054 0.000 1.087 691 A CA 0.289 52.349 52.037 0.039 0.000 0.802 691 A CB -0.412 18.611 19.000 0.037 0.000 1.042 691 A HN 1.896 nan 8.150 nan 0.000 0.489 692 G N -0.767 108.068 108.800 0.058 0.000 2.369 692 G HA2 0.439 4.400 3.960 0.001 0.000 0.295 692 G HA3 0.439 4.400 3.960 0.001 0.000 0.295 692 G C -1.212 173.736 174.900 0.080 0.000 1.298 692 G CA -0.192 44.959 45.100 0.085 0.000 0.940 692 G HN 1.140 nan 8.290 nan 0.000 0.536 693 Q N -0.104 119.773 119.800 0.127 0.000 2.325 693 Q HA 0.720 5.060 4.340 0.001 0.000 0.262 693 Q C -0.357 175.741 176.000 0.164 0.000 0.968 693 Q CA -0.580 55.271 55.803 0.080 0.000 0.877 693 Q CB 1.254 30.026 28.738 0.058 0.000 1.253 693 Q HN 0.575 nan 8.270 nan 0.000 0.448 694 L N 4.367 125.616 121.223 0.044 0.000 2.349 694 L HA 0.430 4.770 4.340 0.001 0.000 0.275 694 L C -0.801 176.102 176.870 0.054 0.000 1.115 694 L CA -0.350 54.558 54.840 0.114 0.000 0.820 694 L CB 0.635 42.730 42.059 0.060 0.000 1.135 694 L HN 0.693 nan 8.230 nan 0.000 0.445 695 W N 4.302 125.671 121.300 0.115 0.000 2.656 695 W HA 0.472 5.132 4.660 0.001 0.000 0.327 695 W C -0.712 175.915 176.519 0.180 0.000 1.041 695 W CA -0.519 56.916 57.345 0.149 0.000 1.229 695 W CB 1.654 31.227 29.460 0.188 0.000 1.397 695 W HN 0.133 nan 8.180 nan 0.000 0.479 696 L N 3.536 125.025 121.223 0.444 0.000 2.282 696 L HA 0.738 5.079 4.340 0.001 0.000 0.288 696 L C -0.303 176.866 176.870 0.498 0.000 1.033 696 L CA 0.272 55.363 54.840 0.418 0.000 0.807 696 L CB 1.177 43.441 42.059 0.341 0.000 1.209 696 L HN 0.317 nan 8.230 nan 0.000 0.423 697 T N 5.325 120.124 114.554 0.409 0.000 2.840 697 T HA 0.627 4.978 4.350 0.001 0.000 0.287 697 T C -0.781 174.110 174.700 0.318 0.000 0.991 697 T CA -0.421 61.879 62.100 0.333 0.000 0.964 697 T CB 1.380 70.383 68.868 0.225 0.000 0.954 697 T HN 0.593 nan 8.240 nan 0.000 0.438 698 V N 1.965 122.045 119.914 0.277 0.000 2.769 698 V HA 0.958 5.078 4.120 0.001 0.000 0.312 698 V C -0.683 175.485 176.094 0.123 0.000 1.061 698 V CA -1.307 61.122 62.300 0.216 0.000 0.931 698 V CB 1.950 33.875 31.823 0.171 0.000 1.010 698 V HN 1.015 nan 8.190 nan 0.000 0.433 699 R N 1.900 122.488 120.500 0.147 0.000 2.668 699 R HA 0.832 5.173 4.340 0.001 0.000 0.272 699 R C -2.162 174.203 176.300 0.109 0.000 1.019 699 R CA -0.825 55.372 56.100 0.162 0.000 0.894 699 R CB 2.168 32.558 30.300 0.150 0.000 1.228 699 R HN 0.537 nan 8.270 nan 0.000 0.460 700 V N 2.750 122.756 119.914 0.153 0.000 2.394 700 V HA 0.385 4.506 4.120 0.001 0.000 0.282 700 V C -0.201 175.900 176.094 0.012 0.000 1.031 700 V CA -0.605 61.738 62.300 0.072 0.000 0.881 700 V CB 1.497 33.381 31.823 0.101 0.000 0.982 700 V HN 0.545 nan 8.190 nan 0.000 0.451 701 V N 5.001 124.842 119.914 -0.120 0.000 2.628 701 V HA 0.419 4.540 4.120 0.001 0.000 0.306 701 V C -0.248 175.836 176.094 -0.016 0.000 1.045 701 V CA -0.763 61.459 62.300 -0.129 0.000 0.905 701 V CB 1.999 33.586 31.823 -0.393 0.000 0.997 701 V HN 0.896 nan 8.190 nan 0.000 0.436 702 Q N 4.514 124.346 119.800 0.053 0.000 2.430 702 Q HA 0.265 4.606 4.340 0.001 0.000 0.245 702 Q C -1.921 174.098 176.000 0.032 0.000 1.021 702 Q CA -1.727 54.118 55.803 0.069 0.000 0.867 702 Q CB 1.739 30.540 28.738 0.105 0.000 1.210 702 Q HN 0.468 nan 8.270 nan 0.000 0.487 703 P HA -0.200 nan 4.420 nan 0.000 0.216 703 P C -0.259 177.047 177.300 0.009 0.000 1.153 703 P CA 1.319 64.437 63.100 0.030 0.000 0.858 703 P CB 0.350 32.075 31.700 0.043 0.000 0.789 704 N N -0.596 118.099 118.700 -0.008 0.000 2.487 704 N HA 0.375 5.115 4.740 0.001 0.000 0.292 704 N C -0.146 175.314 175.510 -0.083 0.000 1.108 704 N CA -0.465 52.565 53.050 -0.033 0.000 0.956 704 N CB 1.065 39.536 38.487 -0.028 0.000 1.176 704 N HN -0.071 nan 8.380 nan 0.000 0.484 705 A N 0.695 123.460 122.820 -0.092 0.000 2.366 705 A HA 0.468 4.788 4.320 0.001 0.000 0.249 705 A C 0.789 178.248 177.584 -0.208 0.000 1.084 705 A CA -0.018 51.929 52.037 -0.150 0.000 0.794 705 A CB 0.025 18.965 19.000 -0.101 0.000 1.034 705 A HN 0.758 nan 8.150 nan 0.000 0.491 706 T N -2.969 111.377 114.554 -0.347 0.000 2.773 706 T HA 0.634 4.984 4.350 0.001 0.000 0.278 706 T C 0.964 175.496 174.700 -0.279 0.000 1.011 706 T CA 0.051 61.918 62.100 -0.388 0.000 1.014 706 T CB 1.101 69.483 68.868 -0.809 0.000 1.293 706 T HN 1.315 nan 8.240 nan 0.000 0.554 707 A N -0.150 122.589 122.820 -0.134 0.000 2.066 707 A HA 0.127 4.448 4.320 0.001 0.000 0.218 707 A C 1.679 179.404 177.584 0.235 0.000 1.157 707 A CA 0.986 53.068 52.037 0.074 0.000 0.670 707 A CB -0.842 18.231 19.000 0.123 0.000 0.804 707 A HN 0.914 nan 8.150 nan 0.000 0.453 708 W N -0.632 120.737 121.300 0.114 0.000 2.870 708 W HA 0.410 5.070 4.660 0.001 0.000 0.358 708 W C -0.183 176.306 176.519 -0.050 0.000 1.043 708 W CA 0.511 57.886 57.345 0.049 0.000 1.692 708 W CB -0.950 28.521 29.460 0.019 0.000 1.100 708 W HN 0.409 nan 8.180 nan 0.000 0.557 709 S N 0.142 115.444 115.700 -0.664 0.000 2.550 709 S HA 0.457 4.927 4.470 0.001 0.000 0.270 709 S C -0.979 173.401 174.600 -0.367 0.000 1.145 709 S CA -0.745 57.097 58.200 -0.597 0.000 0.852 709 S CB 2.654 65.120 63.200 -1.224 0.000 1.119 709 S HN 0.119 nan 8.310 nan 0.000 0.465 710 E N 0.767 120.864 120.200 -0.171 0.000 2.314 710 E HA 0.596 4.947 4.350 0.001 0.000 0.262 710 E C 0.246 176.813 176.600 -0.055 0.000 1.093 710 E CA -0.885 55.466 56.400 -0.081 0.000 0.908 710 E CB 1.007 30.701 29.700 -0.009 0.000 1.091 710 E HN 0.882 nan 8.360 nan 0.000 0.425 711 A N 0.799 123.597 122.820 -0.037 0.000 2.531 711 A HA 0.373 4.694 4.320 0.001 0.000 0.236 711 A C 1.181 178.779 177.584 0.023 0.000 1.062 711 A CA 0.764 52.793 52.037 -0.013 0.000 0.760 711 A CB -0.559 18.436 19.000 -0.008 0.000 0.995 711 A HN 0.832 nan 8.150 nan 0.000 0.501 712 G N 0.507 109.329 108.800 0.036 0.000 2.175 712 G HA2 -0.247 3.714 3.960 0.001 0.000 0.244 712 G HA3 -0.247 3.714 3.960 0.001 0.000 0.244 712 G C 0.249 175.186 174.900 0.061 0.000 0.982 712 G CA 0.664 45.789 45.100 0.041 0.000 0.641 712 G HN 1.724 nan 8.290 nan 0.000 0.527 713 H N 0.737 119.805 119.070 -0.003 0.000 3.034 713 H HA 0.410 4.966 4.556 0.001 0.000 0.324 713 H C 0.779 176.161 175.328 0.091 0.000 1.015 713 H CA 0.456 56.529 56.048 0.043 0.000 1.429 713 H CB 0.146 29.918 29.762 0.017 0.000 1.429 713 H HN 0.312 nan 8.280 nan 0.000 0.585 714 I N 4.808 125.132 120.570 -0.410 0.000 2.325 714 I HA 0.033 4.203 4.170 0.001 0.000 0.291 714 I C 0.936 176.939 176.117 -0.191 0.000 1.019 714 I CA 0.066 61.257 61.300 -0.181 0.000 1.302 714 I CB 1.453 39.405 38.000 -0.079 0.000 1.401 714 I HN 0.779 nan 8.210 nan 0.000 0.485 715 S N 4.230 120.028 115.700 0.162 0.000 2.497 715 S HA 0.531 5.001 4.470 0.001 0.000 0.218 715 S C 0.479 175.328 174.600 0.415 0.000 1.023 715 S CA -0.019 58.409 58.200 0.381 0.000 0.913 715 S CB 0.606 64.142 63.200 0.560 0.000 0.800 715 S HN 0.695 nan 8.310 nan 0.000 0.505 716 A N 0.454 123.539 122.820 0.441 0.000 2.612 716 A HA 0.685 5.005 4.320 0.001 0.000 0.293 716 A C -1.814 176.064 177.584 0.489 0.000 1.075 716 A CA -0.857 51.407 52.037 0.377 0.000 0.680 716 A CB 0.511 19.809 19.000 0.497 0.000 1.279 716 A HN 0.939 nan 8.150 nan 0.000 0.411 717 W N -0.234 121.195 121.300 0.216 0.000 3.066 717 W HA 0.803 5.463 4.660 0.001 0.000 0.330 717 W C -1.272 175.243 176.519 -0.006 0.000 1.253 717 W CA -0.575 56.785 57.345 0.025 0.000 1.187 717 W CB 1.136 30.604 29.460 0.013 0.000 1.434 717 W HN 1.024 nan 8.180 nan 0.000 0.572 718 Q N 0.971 120.784 119.800 0.022 0.000 2.594 718 Q HA 0.412 4.753 4.340 0.001 0.000 0.278 718 Q C -1.627 174.230 176.000 -0.238 0.000 0.961 718 Q CA -0.459 55.211 55.803 -0.221 0.000 0.844 718 Q CB 2.262 30.648 28.738 -0.586 0.000 1.475 718 Q HN 0.627 nan 8.270 nan 0.000 0.389 719 Q N 1.248 120.847 119.800 -0.334 0.000 2.451 719 Q HA 0.670 5.011 4.340 0.001 0.000 0.281 719 Q C -1.136 174.732 176.000 -0.220 0.000 1.099 719 Q CA -0.730 55.063 55.803 -0.017 0.000 0.806 719 Q CB 2.556 31.483 28.738 0.315 0.000 1.419 719 Q HN 0.580 nan 8.270 nan 0.000 0.427 720 W N 0.976 122.413 121.300 0.229 0.000 3.256 720 W HA 0.405 5.066 4.660 0.001 0.000 0.324 720 W C -0.489 175.932 176.519 -0.163 0.000 1.196 720 W CA -0.632 56.739 57.345 0.043 0.000 1.206 720 W CB 1.759 31.230 29.460 0.019 0.000 1.385 720 W HN 0.420 nan 8.180 nan 0.000 0.522 721 R N 2.316 122.665 120.500 -0.251 0.000 2.298 721 R HA 0.422 4.762 4.340 0.001 0.000 0.310 721 R C 0.515 176.647 176.300 -0.280 0.000 1.068 721 R CA -0.134 55.547 56.100 -0.699 0.000 0.957 721 R CB 1.142 30.960 30.300 -0.804 0.000 1.003 721 R HN 0.330 nan 8.270 nan 0.000 0.454 722 L N 1.483 122.562 121.223 -0.241 0.000 2.812 722 L HA 0.475 4.815 4.340 0.001 0.000 0.172 722 L C 0.761 177.553 176.870 -0.130 0.000 1.892 722 L CA -0.860 53.910 54.840 -0.116 0.000 2.525 722 L CB -0.113 41.919 42.059 -0.045 0.000 2.930 722 L HN 0.593 nan 8.230 nan 0.000 0.625 723 A N 0.304 123.077 122.820 -0.079 0.000 2.425 723 A HA 0.214 4.534 4.320 0.001 0.000 0.242 723 A C -0.279 177.264 177.584 -0.068 0.000 1.077 723 A CA 0.194 52.193 52.037 -0.064 0.000 0.781 723 A CB 0.173 19.152 19.000 -0.035 0.000 1.020 723 A HN 0.626 nan 8.150 nan 0.000 0.494 724 E N 1.053 121.219 120.200 -0.056 0.000 2.272 724 E HA 0.316 4.667 4.350 0.001 0.000 0.269 724 E C -1.514 175.078 176.600 -0.014 0.000 0.877 724 E CA -0.740 55.635 56.400 -0.041 0.000 0.755 724 E CB 1.000 30.664 29.700 -0.061 0.000 1.192 724 E HN 0.680 nan 8.360 nan 0.000 0.422 725 N N 5.012 123.716 118.700 0.005 0.000 2.476 725 N HA 0.277 5.017 4.740 0.001 0.000 0.257 725 N C -0.537 174.985 175.510 0.020 0.000 0.970 725 N CA -0.366 52.691 53.050 0.012 0.000 0.938 725 N CB 1.283 39.781 38.487 0.017 0.000 1.144 725 N HN 0.495 nan 8.380 nan 0.000 0.500 726 L N 0.920 122.153 121.223 0.016 0.000 2.453 726 L HA 0.087 4.428 4.340 0.001 0.000 0.272 726 L C 1.253 178.139 176.870 0.027 0.000 1.182 726 L CA 0.108 54.962 54.840 0.023 0.000 0.858 726 L CB 0.519 42.589 42.059 0.019 0.000 1.120 726 L HN 0.375 nan 8.230 nan 0.000 0.474 727 S N 1.942 117.663 115.700 0.034 0.000 2.448 727 S HA 0.241 4.712 4.470 0.001 0.000 0.279 727 S C 0.728 175.346 174.600 0.029 0.000 1.195 727 S CA -0.778 57.442 58.200 0.033 0.000 1.051 727 S CB 0.771 63.996 63.200 0.041 0.000 0.948 727 S HN 0.472 nan 8.310 nan 0.000 0.493 728 V N 2.564 122.493 119.914 0.024 0.000 3.570 728 V HA 0.261 4.382 4.120 0.001 0.000 0.257 728 V C 1.009 177.115 176.094 0.020 0.000 1.272 728 V CA 0.455 62.768 62.300 0.021 0.000 1.079 728 V CB -1.133 30.700 31.823 0.017 0.000 0.829 728 V HN 0.862 nan 8.190 nan 0.000 0.454 729 T N 2.009 116.575 114.554 0.020 0.000 2.905 729 T HA 0.363 4.713 4.350 0.001 0.000 0.299 729 T C -0.288 174.423 174.700 0.018 0.000 1.024 729 T CA -0.098 62.013 62.100 0.018 0.000 1.151 729 T CB 0.224 69.103 68.868 0.018 0.000 0.987 729 T HN 0.216 nan 8.240 nan 0.000 0.535 730 L N 4.864 126.096 121.223 0.015 0.000 2.349 730 L HA 0.434 4.774 4.340 0.001 0.000 0.275 730 L C -1.646 175.230 176.870 0.010 0.000 1.115 730 L CA -1.802 53.046 54.840 0.013 0.000 0.820 730 L CB -0.451 41.614 42.059 0.011 0.000 1.135 730 L HN 0.592 nan 8.230 nan 0.000 0.445 731 P HA 0.209 nan 4.420 nan 0.000 0.268 731 P C -0.716 176.579 177.300 -0.009 0.000 1.204 731 P CA -0.414 62.688 63.100 0.004 0.000 0.768 731 P CB 0.658 32.362 31.700 0.007 0.000 0.842 732 A N 3.650 126.461 122.820 -0.016 0.000 2.535 732 A HA 0.369 4.690 4.320 0.001 0.000 0.290 732 A C 0.897 178.442 177.584 -0.066 0.000 1.270 732 A CA -0.027 51.990 52.037 -0.033 0.000 0.937 732 A CB -1.159 17.820 19.000 -0.034 0.000 1.096 732 A HN 0.698 nan 8.150 nan 0.000 0.534 733 A N 4.116 126.902 122.820 -0.056 0.000 2.581 733 A HA 0.343 4.663 4.320 0.001 0.000 0.257 733 A C 1.147 178.630 177.584 -0.168 0.000 1.022 733 A CA 0.710 52.705 52.037 -0.071 0.000 0.812 733 A CB -0.682 18.298 19.000 -0.033 0.000 0.918 733 A HN 1.888 nan 8.150 nan 0.000 0.516 734 S N 3.155 118.763 115.700 -0.153 0.000 2.572 734 S HA 0.177 4.648 4.470 0.001 0.000 0.279 734 S C 0.902 175.381 174.600 -0.202 0.000 1.341 734 S CA -0.151 57.910 58.200 -0.232 0.000 1.043 734 S CB 0.329 63.473 63.200 -0.092 0.000 0.887 734 S HN 0.680 nan 8.310 nan 0.000 0.516 735 H N 1.641 120.725 119.070 0.023 0.000 2.462 735 H HA 0.179 4.735 4.556 0.001 0.000 0.292 735 H C 1.395 176.739 175.328 0.026 0.000 1.049 735 H CA 0.979 57.039 56.048 0.021 0.000 1.334 735 H CB -0.964 28.809 29.762 0.018 0.000 1.404 735 H HN 0.842 nan 8.280 nan 0.000 0.544 736 A N 1.707 124.597 122.820 0.116 0.000 2.483 736 A HA 0.380 4.701 4.320 0.001 0.000 0.238 736 A C 0.260 177.887 177.584 0.072 0.000 1.070 736 A CA 0.070 52.162 52.037 0.091 0.000 0.770 736 A CB -0.081 18.967 19.000 0.080 0.000 1.008 736 A HN 0.267 nan 8.150 nan 0.000 0.497 737 I N 3.492 124.108 120.570 0.076 0.000 2.499 737 I HA 0.320 4.490 4.170 0.001 0.000 0.288 737 I C -2.095 174.077 176.117 0.090 0.000 1.048 737 I CA -1.964 59.377 61.300 0.068 0.000 1.062 737 I CB 2.341 40.379 38.000 0.064 0.000 1.238 737 I HN 0.567 nan 8.210 nan 0.000 0.426 738 P HA 0.079 nan 4.420 nan 0.000 0.272 738 P C -1.203 176.179 177.300 0.135 0.000 1.230 738 P CA 0.146 63.313 63.100 0.112 0.000 0.788 738 P CB 1.062 32.788 31.700 0.044 0.000 0.949 739 H N 1.678 120.793 119.070 0.074 0.000 2.538 739 H HA 0.416 4.973 4.556 0.001 0.000 0.353 739 H C -1.360 174.011 175.328 0.071 0.000 1.109 739 H CA -0.917 55.165 56.048 0.057 0.000 1.192 739 H CB 1.875 31.670 29.762 0.055 0.000 1.555 739 H HN 0.253 nan 8.280 nan 0.000 0.518 740 L N 4.177 125.021 121.223 -0.631 0.000 2.295 740 L HA 0.353 4.693 4.340 0.001 0.000 0.285 740 L C -0.705 175.959 176.870 -0.343 0.000 1.035 740 L CA -0.031 54.603 54.840 -0.344 0.000 0.806 740 L CB 1.534 43.433 42.059 -0.267 0.000 1.214 740 L HN 0.578 nan 8.230 nan 0.000 0.426 741 T N 3.492 118.056 114.554 0.017 0.000 2.791 741 T HA 0.438 4.788 4.350 0.001 0.000 0.288 741 T C -0.313 174.484 174.700 0.163 0.000 0.999 741 T CA -0.341 61.836 62.100 0.128 0.000 0.952 741 T CB 0.872 69.854 68.868 0.189 0.000 0.938 741 T HN 0.669 nan 8.240 nan 0.000 0.444 742 T N 3.353 118.002 114.554 0.157 0.000 2.829 742 T HA 0.675 5.026 4.350 0.001 0.000 0.282 742 T C 0.189 174.955 174.700 0.109 0.000 0.990 742 T CA -0.700 61.531 62.100 0.218 0.000 1.028 742 T CB 1.075 70.106 68.868 0.272 0.000 0.951 742 T HN 0.697 nan 8.240 nan 0.000 0.460 743 S N 1.825 117.550 115.700 0.042 0.000 2.704 743 S HA 0.507 4.978 4.470 0.001 0.000 0.296 743 S C 0.769 175.323 174.600 -0.077 0.000 1.138 743 S CA -0.927 57.270 58.200 -0.005 0.000 0.875 743 S CB 1.524 64.725 63.200 0.002 0.000 1.151 743 S HN 0.453 nan 8.310 nan 0.000 0.500 744 E N 0.219 120.383 120.200 -0.060 0.000 2.085 744 E HA -0.060 4.291 4.350 0.001 0.000 0.194 744 E C 1.281 177.803 176.600 -0.131 0.000 0.994 744 E CA 1.435 57.786 56.400 -0.082 0.000 0.801 744 E CB -0.212 29.460 29.700 -0.045 0.000 0.743 744 E HN 0.571 nan 8.360 nan 0.000 0.453 745 M N 0.126 119.661 119.600 -0.107 0.000 2.441 745 M HA 0.164 4.644 4.480 0.001 0.000 0.244 745 M C -0.120 176.096 176.300 -0.140 0.000 1.122 745 M CA 0.471 55.707 55.300 -0.107 0.000 1.041 745 M CB 0.241 32.815 32.600 -0.045 0.000 1.438 745 M HN -0.178 nan 8.290 nan 0.000 0.484 746 D N -0.910 119.384 120.400 -0.176 0.000 2.599 746 D HA 0.409 5.049 4.640 0.001 0.000 0.252 746 D C -1.483 174.726 176.300 -0.152 0.000 1.232 746 D CA -0.346 53.574 54.000 -0.134 0.000 0.819 746 D CB 2.407 43.228 40.800 0.035 0.000 1.401 746 D HN -0.167 nan 8.370 nan 0.000 0.429 747 F N 1.163 121.193 119.950 0.133 0.000 2.434 747 F HA 0.310 4.837 4.527 0.000 0.000 0.355 747 F C -0.124 175.803 175.800 0.212 0.000 1.115 747 F CA -0.949 57.118 58.000 0.112 0.000 1.010 747 F CB 1.040 40.062 39.000 0.038 0.000 1.234 747 F HN 0.149 nan 8.300 nan 0.000 0.439 748 C N 5.108 124.622 119.300 0.357 0.000 2.329 748 C HA 0.692 5.152 4.460 0.001 0.000 0.329 748 C C 0.271 175.438 174.990 0.295 0.000 1.275 748 C CA -0.994 58.221 59.018 0.328 0.000 1.726 748 C CB 0.373 28.255 27.740 0.237 0.000 2.291 748 C HN 0.593 nan 8.230 nan 0.000 0.514 749 I N 3.191 123.989 120.570 0.380 0.000 2.382 749 I HA 0.338 4.508 4.170 0.001 0.000 0.286 749 I C -0.503 175.898 176.117 0.473 0.000 1.002 749 I CA -0.159 61.354 61.300 0.356 0.000 1.135 749 I CB 1.266 39.452 38.000 0.310 0.000 1.288 749 I HN 0.591 nan 8.210 nan 0.000 0.448 750 E N 5.989 126.399 120.200 0.351 0.000 2.179 750 E HA 0.645 4.995 4.350 0.001 0.000 0.275 750 E C -1.096 175.691 176.600 0.311 0.000 0.945 750 E CA -0.613 55.965 56.400 0.296 0.000 0.792 750 E CB 2.293 32.106 29.700 0.188 0.000 1.125 750 E HN 0.337 nan 8.360 nan 0.000 0.397 751 L N 2.795 124.197 121.223 0.298 0.000 2.573 751 L HA 0.536 4.877 4.340 0.001 0.000 0.260 751 L C 0.435 177.397 176.870 0.153 0.000 0.997 751 L CA 0.678 55.678 54.840 0.266 0.000 0.890 751 L CB 0.653 42.968 42.059 0.428 0.000 1.179 751 L HN 0.616 nan 8.230 nan 0.000 0.439 752 G N 4.633 113.490 108.800 0.095 0.000 2.634 752 G HA2 -0.484 3.477 3.960 0.001 0.000 0.318 752 G HA3 -0.484 3.477 3.960 0.001 0.000 0.318 752 G C 0.570 175.479 174.900 0.016 0.000 1.207 752 G CA 0.910 46.040 45.100 0.049 0.000 0.987 752 G HN 1.158 nan 8.290 nan 0.000 0.547 753 N N 1.068 119.767 118.700 -0.001 0.000 2.336 753 N HA 0.275 5.016 4.740 0.001 0.000 0.189 753 N C 0.448 175.913 175.510 -0.076 0.000 1.113 753 N CA 0.894 53.923 53.050 -0.035 0.000 0.858 753 N CB 0.339 38.806 38.487 -0.032 0.000 0.970 753 N HN 0.719 nan 8.380 nan 0.000 0.471 754 K N 0.202 120.541 120.400 -0.102 0.000 2.259 754 K HA 0.517 4.837 4.320 0.001 0.000 0.249 754 K C -0.581 175.813 176.600 -0.343 0.000 0.942 754 K CA -0.712 55.388 56.287 -0.313 0.000 0.816 754 K CB 2.066 34.285 32.500 -0.468 0.000 1.155 754 K HN 0.004 nan 8.250 nan 0.000 0.428 755 R N 1.271 121.491 120.500 -0.467 0.000 2.673 755 R HA 0.416 4.757 4.340 0.001 0.000 0.281 755 R C -1.271 174.873 176.300 -0.260 0.000 0.991 755 R CA -0.851 55.167 56.100 -0.138 0.000 0.896 755 R CB 1.837 32.193 30.300 0.094 0.000 1.201 755 R HN 0.527 nan 8.270 nan 0.000 0.457 756 W N 2.221 123.624 121.300 0.171 0.000 2.739 756 W HA 0.364 5.024 4.660 0.001 0.000 0.331 756 W C -0.475 176.112 176.519 0.113 0.000 1.049 756 W CA -0.521 56.856 57.345 0.054 0.000 1.234 756 W CB 2.288 31.797 29.460 0.082 0.000 1.404 756 W HN 0.368 nan 8.180 nan 0.000 0.477 757 Q N 2.675 122.545 119.800 0.116 0.000 2.325 757 Q HA 0.402 4.743 4.340 0.001 0.000 0.270 757 Q C -1.788 174.146 176.000 -0.111 0.000 1.020 757 Q CA -0.516 55.371 55.803 0.140 0.000 0.785 757 Q CB 1.321 30.185 28.738 0.210 0.000 1.259 757 Q HN 0.332 nan 8.270 nan 0.000 0.452 758 F N 2.949 122.975 119.950 0.127 0.000 2.375 758 F HA 0.289 4.816 4.527 0.001 0.000 0.361 758 F C 0.599 176.433 175.800 0.056 0.000 1.117 758 F CA -0.894 57.155 58.000 0.081 0.000 1.037 758 F CB 1.080 40.134 39.000 0.091 0.000 1.192 758 F HN 0.456 nan 8.300 nan 0.000 0.452 759 N N 3.652 122.450 118.700 0.163 0.000 2.452 759 N HA 0.031 4.771 4.740 0.001 0.000 0.266 759 N C 0.993 176.531 175.510 0.047 0.000 1.209 759 N CA 0.161 53.263 53.050 0.086 0.000 0.929 759 N CB 0.691 39.234 38.487 0.094 0.000 1.063 759 N HN 0.691 nan 8.380 nan 0.000 0.472 760 R N 2.096 122.549 120.500 -0.079 0.000 2.276 760 R HA -0.065 4.275 4.340 0.001 0.000 0.203 760 R C 1.607 177.851 176.300 -0.093 0.000 1.017 760 R CA 0.579 56.578 56.100 -0.168 0.000 1.010 760 R CB 0.200 30.259 30.300 -0.402 0.000 0.900 760 R HN 0.690 nan 8.270 nan 0.000 0.469 761 Q N 0.316 120.090 119.800 -0.044 0.000 2.204 761 Q HA -0.057 4.284 4.340 0.001 0.000 0.198 761 Q C 1.718 177.719 176.000 0.000 0.000 0.946 761 Q CA 1.491 57.279 55.803 -0.024 0.000 0.859 761 Q CB 0.356 29.091 28.738 -0.004 0.000 0.946 761 Q HN 0.305 nan 8.270 nan 0.000 0.474 762 S N -1.811 113.916 115.700 0.044 0.000 2.456 762 S HA 0.202 4.672 4.470 0.001 0.000 0.224 762 S C 1.381 175.954 174.600 -0.044 0.000 1.035 762 S CA 0.746 59.002 58.200 0.093 0.000 0.940 762 S CB 0.512 63.871 63.200 0.265 0.000 0.799 762 S HN 0.559 nan 8.310 nan 0.000 0.508 763 G N 0.524 109.307 108.800 -0.028 0.000 2.136 763 G HA2 -0.204 3.756 3.960 0.001 0.000 0.242 763 G HA3 -0.204 3.756 3.960 0.001 0.000 0.242 763 G C -0.136 174.737 174.900 -0.046 0.000 0.989 763 G CA 0.173 45.236 45.100 -0.062 0.000 0.682 763 G HN 0.527 nan 8.290 nan 0.000 0.522 764 F N -1.180 118.946 119.950 0.293 0.000 2.538 764 F HA 0.656 5.184 4.527 0.001 0.000 0.325 764 F C 0.487 176.302 175.800 0.025 0.000 1.066 764 F CA -1.463 56.661 58.000 0.205 0.000 0.946 764 F CB 1.560 40.637 39.000 0.128 0.000 1.199 764 F HN 0.015 nan 8.300 nan 0.000 0.473 765 L N 2.265 123.515 121.223 0.045 0.000 2.565 765 L HA 0.148 4.488 4.340 0.001 0.000 0.275 765 L C 1.020 177.766 176.870 -0.208 0.000 1.137 765 L CA 0.464 54.986 54.840 -0.530 0.000 0.915 765 L CB 0.276 41.985 42.059 -0.583 0.000 1.232 765 L HN 0.710 nan 8.230 nan 0.000 0.473 766 S N 2.547 118.135 115.700 -0.186 0.000 2.503 766 S HA 0.232 4.702 4.470 0.001 0.000 0.217 766 S C 0.589 175.056 174.600 -0.223 0.000 0.999 766 S CA -0.007 58.125 58.200 -0.114 0.000 0.914 766 S CB 0.065 63.250 63.200 -0.025 0.000 0.782 766 S HN 0.693 nan 8.310 nan 0.000 0.520 767 Q N -0.313 119.287 119.800 -0.333 0.000 2.527 767 Q HA 0.657 4.998 4.340 0.001 0.000 0.280 767 Q C -1.993 173.624 176.000 -0.638 0.000 0.977 767 Q CA -0.278 55.194 55.803 -0.551 0.000 0.837 767 Q CB 1.619 29.931 28.738 -0.711 0.000 1.454 767 Q HN 0.419 nan 8.270 nan 0.000 0.387 768 M N 1.490 120.594 119.600 -0.827 0.000 2.484 768 M HA 0.608 5.088 4.480 0.001 0.000 0.289 768 M C -1.485 174.355 176.300 -0.766 0.000 1.206 768 M CA -0.510 54.370 55.300 -0.700 0.000 0.892 768 M CB 2.273 34.489 32.600 -0.640 0.000 1.712 768 M HN 0.494 nan 8.290 nan 0.000 0.462 769 W N 2.908 123.968 121.300 -0.400 0.000 2.915 769 W HA 0.593 5.254 4.660 0.000 0.000 0.337 769 W C -1.317 175.002 176.519 -0.334 0.000 1.102 769 W CA -0.553 56.617 57.345 -0.292 0.000 1.224 769 W CB 1.682 31.009 29.460 -0.223 0.000 1.416 769 W HN 0.502 nan 8.180 nan 0.000 0.503 770 I N 3.651 124.214 120.570 -0.011 0.000 2.595 770 I HA 0.378 4.549 4.170 0.001 0.000 0.275 770 I C 0.699 176.800 176.117 -0.026 0.000 1.092 770 I CA 0.120 61.371 61.300 -0.081 0.000 1.145 770 I CB 0.704 38.631 38.000 -0.120 0.000 1.276 770 I HN 0.695 nan 8.210 nan 0.000 0.497 771 G N 4.702 113.489 108.800 -0.021 0.000 2.754 771 G HA2 -0.220 3.740 3.960 0.001 0.000 0.241 771 G HA3 -0.220 3.740 3.960 0.001 0.000 0.241 771 G C 0.134 175.029 174.900 -0.007 0.000 1.281 771 G CA 0.148 45.234 45.100 -0.024 0.000 0.971 771 G HN 0.480 nan 8.290 nan 0.000 0.569 772 D N 1.504 121.912 120.400 0.013 0.000 2.431 772 D HA 0.177 4.817 4.640 0.001 0.000 0.213 772 D C 0.238 176.639 176.300 0.167 0.000 1.130 772 D CA 0.175 54.188 54.000 0.021 0.000 0.834 772 D CB 0.569 41.358 40.800 -0.018 0.000 0.985 772 D HN 0.217 nan 8.370 nan 0.000 0.504 773 K N 1.640 122.143 120.400 0.173 0.000 2.201 773 K HA 0.302 4.622 4.320 0.001 0.000 0.278 773 K C 0.431 177.100 176.600 0.115 0.000 1.027 773 K CA -0.330 56.037 56.287 0.133 0.000 0.909 773 K CB 1.879 34.391 32.500 0.020 0.000 1.062 773 K HN -0.078 nan 8.250 nan 0.000 0.465 774 K N 2.156 122.542 120.400 -0.023 0.000 2.270 774 K HA 0.073 4.394 4.320 0.001 0.000 0.276 774 K C 1.011 177.449 176.600 -0.271 0.000 1.023 774 K CA -0.293 55.761 56.287 -0.389 0.000 0.955 774 K CB 0.796 33.123 32.500 -0.288 0.000 0.975 774 K HN 0.335 nan 8.250 nan 0.000 0.471 775 Q N 1.325 120.918 119.800 -0.345 0.000 2.378 775 Q HA 0.197 4.537 4.340 0.001 0.000 0.216 775 Q C 0.204 176.136 176.000 -0.114 0.000 0.892 775 Q CA 0.472 56.199 55.803 -0.127 0.000 0.931 775 Q CB 0.506 29.221 28.738 -0.038 0.000 1.086 775 Q HN 0.508 nan 8.270 nan 0.000 0.528 776 L N 0.261 121.337 121.223 -0.244 0.000 2.333 776 L HA 0.406 4.747 4.340 0.001 0.000 0.269 776 L C 0.928 177.667 176.870 -0.219 0.000 1.010 776 L CA -0.399 54.316 54.840 -0.209 0.000 0.818 776 L CB 1.590 43.509 42.059 -0.234 0.000 1.306 776 L HN -0.076 nan 8.230 nan 0.000 0.430 777 L N -0.097 120.991 121.223 -0.226 0.000 2.685 777 L HA 0.259 4.599 4.340 0.001 0.000 0.235 777 L C -0.040 176.708 176.870 -0.203 0.000 1.070 777 L CA 0.542 55.255 54.840 -0.213 0.000 0.888 777 L CB 0.997 42.905 42.059 -0.252 0.000 1.203 777 L HN 0.612 nan 8.230 nan 0.000 0.499 778 T N 0.254 114.662 114.554 -0.243 0.000 2.912 778 T HA 0.405 4.755 4.350 0.001 0.000 0.299 778 T C -2.593 172.029 174.700 -0.130 0.000 1.052 778 T CA -1.154 60.846 62.100 -0.167 0.000 0.996 778 T CB 2.514 71.259 68.868 -0.204 0.000 1.070 778 T HN -0.271 nan 8.240 nan 0.000 0.465 779 P HA 0.165 nan 4.420 nan 0.000 0.268 779 P C -0.678 176.573 177.300 -0.081 0.000 1.208 779 P CA -0.707 62.351 63.100 -0.071 0.000 0.777 779 P CB 0.418 32.105 31.700 -0.022 0.000 0.875 780 L N 4.116 125.322 121.223 -0.029 0.000 2.385 780 L HA 0.232 4.572 4.340 0.001 0.000 0.281 780 L C 0.148 176.954 176.870 -0.106 0.000 1.106 780 L CA 0.681 55.537 54.840 0.028 0.000 0.856 780 L CB -0.687 41.491 42.059 0.198 0.000 1.186 780 L HN 0.307 nan 8.230 nan 0.000 0.453 781 R N 2.644 122.986 120.500 -0.262 0.000 2.912 781 R HA 0.517 4.857 4.340 0.001 0.000 0.262 781 R C -0.969 175.177 176.300 -0.257 0.000 1.057 781 R CA -1.040 54.717 56.100 -0.572 0.000 0.981 781 R CB 1.078 30.901 30.300 -0.795 0.000 1.201 781 R HN 0.507 nan 8.270 nan 0.000 0.484 782 D N 0.902 121.200 120.400 -0.169 0.000 2.339 782 D HA 0.117 4.758 4.640 0.001 0.000 0.245 782 D C -0.583 175.282 176.300 -0.724 0.000 1.115 782 D CA 0.158 53.892 54.000 -0.444 0.000 0.917 782 D CB 0.792 41.222 40.800 -0.616 0.000 1.192 782 D HN 0.191 nan 8.370 nan 0.000 0.428 783 Q N 1.089 120.273 119.800 -1.026 0.000 2.289 783 Q HA 0.362 4.703 4.340 0.001 0.000 0.270 783 Q C -1.324 173.939 176.000 -1.229 0.000 1.038 783 Q CA -0.595 54.681 55.803 -0.878 0.000 0.812 783 Q CB 0.908 29.347 28.738 -0.499 0.000 1.300 783 Q HN 0.546 nan 8.270 nan 0.000 0.427 784 F N 0.626 120.162 119.950 -0.690 0.000 2.729 784 F HA 0.210 4.738 4.527 0.001 0.000 0.315 784 F C 0.429 175.770 175.800 -0.764 0.000 1.102 784 F CA -0.225 57.267 58.000 -0.847 0.000 1.204 784 F CB 1.496 39.670 39.000 -1.376 0.000 1.052 784 F HN 0.423 nan 8.300 nan 0.000 0.551 785 T N -0.792 113.444 114.554 -0.531 0.000 2.907 785 T HA 0.815 5.165 4.350 0.001 0.000 0.290 785 T C -0.594 173.845 174.700 -0.434 0.000 1.066 785 T CA -0.982 60.738 62.100 -0.633 0.000 1.012 785 T CB 2.821 71.254 68.868 -0.725 0.000 1.184 785 T HN 0.265 nan 8.240 nan 0.000 0.522 786 R N -0.296 120.001 120.500 -0.338 0.000 2.740 786 R HA 0.751 5.092 4.340 0.001 0.000 0.273 786 R C -0.944 175.396 176.300 0.066 0.000 0.998 786 R CA -1.211 54.812 56.100 -0.129 0.000 0.900 786 R CB 1.470 31.688 30.300 -0.138 0.000 1.223 786 R HN 0.848 nan 8.270 nan 0.000 0.466 787 A N 3.903 126.747 122.820 0.040 0.000 2.515 787 A HA 0.259 4.580 4.320 0.001 0.000 0.263 787 A C -1.884 175.751 177.584 0.085 0.000 1.096 787 A CA -1.221 50.840 52.037 0.039 0.000 0.769 787 A CB -0.436 18.529 19.000 -0.060 0.000 1.040 787 A HN 0.601 nan 8.150 nan 0.000 0.505 788 P HA 0.045 nan 4.420 nan 0.000 0.262 788 P C -0.323 177.088 177.300 0.186 0.000 1.182 788 P CA 0.549 63.803 63.100 0.257 0.000 0.761 788 P CB 0.402 32.288 31.700 0.310 0.000 0.795 789 L N 2.755 124.060 121.223 0.136 0.000 2.468 789 L HA 0.174 4.514 4.340 0.001 0.000 0.254 789 L C 1.751 178.666 176.870 0.075 0.000 1.171 789 L CA -0.507 54.357 54.840 0.041 0.000 0.809 789 L CB -0.184 41.821 42.059 -0.090 0.000 1.155 789 L HN 0.216 nan 8.230 nan 0.000 0.473 790 D N -0.120 120.270 120.400 -0.017 0.000 2.123 790 D HA -0.169 4.471 4.640 0.001 0.000 0.196 790 D C 1.648 177.887 176.300 -0.101 0.000 0.992 790 D CA 1.350 55.269 54.000 -0.136 0.000 0.833 790 D CB -0.099 40.551 40.800 -0.249 0.000 0.954 790 D HN 0.442 nan 8.370 nan 0.000 0.455 791 N N 0.599 119.253 118.700 -0.076 0.000 2.309 791 N HA -0.097 4.644 4.740 0.001 0.000 0.182 791 N C 0.899 176.428 175.510 0.032 0.000 1.018 791 N CA 0.745 53.771 53.050 -0.041 0.000 0.876 791 N CB -0.082 38.372 38.487 -0.054 0.000 0.972 791 N HN 0.243 nan 8.380 nan 0.000 0.434 792 D N 0.444 120.884 120.400 0.066 0.000 2.234 792 D HA 0.055 4.695 4.640 0.001 0.000 0.205 792 D C 1.983 178.338 176.300 0.092 0.000 0.962 792 D CA 0.375 54.450 54.000 0.124 0.000 0.855 792 D CB 0.187 41.139 40.800 0.255 0.000 0.951 792 D HN 0.316 nan 8.370 nan 0.000 0.500 793 I N 0.179 120.793 120.570 0.073 0.000 2.494 793 I HA 0.058 4.228 4.170 0.001 0.000 0.250 793 I C 1.808 177.954 176.117 0.048 0.000 1.112 793 I CA 0.605 61.936 61.300 0.052 0.000 1.438 793 I CB -0.319 37.695 38.000 0.022 0.000 1.111 793 I HN 0.053 nan 8.210 nan 0.000 0.431 794 G N 1.481 110.320 108.800 0.064 0.000 2.583 794 G HA2 -0.349 3.612 3.960 0.001 0.000 0.292 794 G HA3 -0.349 3.612 3.960 0.001 0.000 0.292 794 G C 0.660 175.731 174.900 0.285 0.000 1.203 794 G CA 0.799 45.992 45.100 0.155 0.000 0.987 794 G HN 0.521 nan 8.290 nan 0.000 0.554 795 V N -1.891 118.134 119.914 0.186 0.000 3.596 795 V HA 0.628 4.748 4.120 0.001 0.000 0.289 795 V C 1.238 177.341 176.094 0.014 0.000 1.336 795 V CA 1.213 63.554 62.300 0.068 0.000 1.137 795 V CB 0.117 31.882 31.823 -0.097 0.000 0.966 795 V HN 1.345 nan 8.190 nan 0.000 0.428 796 S N 1.470 117.188 115.700 0.029 0.000 2.549 796 S HA 0.294 4.764 4.470 0.001 0.000 0.286 796 S C -0.022 174.582 174.600 0.008 0.000 1.314 796 S CA 0.076 58.278 58.200 0.003 0.000 1.062 796 S CB 0.133 63.334 63.200 0.001 0.000 0.865 796 S HN 0.827 nan 8.310 nan 0.000 0.498 797 E N 1.552 121.750 120.200 -0.003 0.000 2.429 797 E HA 0.529 4.879 4.350 0.001 0.000 0.276 797 E C 0.542 177.146 176.600 0.006 0.000 0.953 797 E CA -0.766 55.637 56.400 0.004 0.000 0.787 797 E CB 1.299 30.995 29.700 -0.006 0.000 1.307 797 E HN 0.533 nan 8.360 nan 0.000 0.458 798 A N 0.573 123.403 122.820 0.016 0.000 1.933 798 A HA -0.178 4.142 4.320 0.001 0.000 0.218 798 A C 2.035 179.624 177.584 0.010 0.000 1.175 798 A CA 2.420 54.467 52.037 0.017 0.000 0.628 798 A CB -0.965 18.051 19.000 0.026 0.000 0.814 798 A HN 0.685 nan 8.150 nan 0.000 0.444 799 T N -3.442 111.115 114.554 0.006 0.000 3.067 799 T HA 0.173 4.523 4.350 0.001 0.000 0.261 799 T C 0.804 175.496 174.700 -0.012 0.000 1.110 799 T CA 0.370 62.469 62.100 -0.001 0.000 1.113 799 T CB -0.063 68.805 68.868 -0.001 0.000 0.917 799 T HN 0.393 nan 8.240 nan 0.000 0.499 800 R N 0.707 121.196 120.500 -0.017 0.000 2.721 800 R HA 0.465 4.805 4.340 0.001 0.000 0.272 800 R C -1.105 175.179 176.300 -0.027 0.000 1.721 800 R CA -0.402 55.681 56.100 -0.029 0.000 1.325 800 R CB 0.906 31.179 30.300 -0.046 0.000 1.271 800 R HN 0.332 nan 8.270 nan 0.000 0.556 801 I N 1.537 122.094 120.570 -0.021 0.000 2.529 801 I HA 0.007 4.178 4.170 0.001 0.000 0.284 801 I C 0.364 176.461 176.117 -0.034 0.000 1.082 801 I CA 0.178 61.465 61.300 -0.021 0.000 1.406 801 I CB 0.688 38.679 38.000 -0.014 0.000 1.405 801 I HN 0.341 nan 8.210 nan 0.000 0.548 802 D N 9.141 129.518 120.400 -0.038 0.000 2.485 802 D HA 0.202 4.843 4.640 0.001 0.000 0.229 802 D C -1.442 174.814 176.300 -0.073 0.000 1.101 802 D CA -2.394 51.574 54.000 -0.053 0.000 0.906 802 D CB 1.183 41.955 40.800 -0.047 0.000 1.019 802 D HN 0.222 nan 8.370 nan 0.000 0.516 803 P HA -0.176 nan 4.420 nan 0.000 0.220 803 P C 0.894 178.105 177.300 -0.149 0.000 1.144 803 P CA 0.776 63.821 63.100 -0.093 0.000 0.800 803 P CB 0.499 32.154 31.700 -0.075 0.000 0.772 804 N N 0.006 118.611 118.700 -0.159 0.000 2.416 804 N HA 0.045 4.785 4.740 0.001 0.000 0.177 804 N C 0.500 175.817 175.510 -0.322 0.000 1.036 804 N CA 0.145 53.056 53.050 -0.232 0.000 0.901 804 N CB -0.448 37.931 38.487 -0.179 0.000 0.976 804 N HN -0.016 nan 8.380 nan 0.000 0.444 805 A N -0.415 122.265 122.820 -0.234 0.000 2.498 805 A HA 0.075 4.396 4.320 0.001 0.000 0.239 805 A C 0.701 178.076 177.584 -0.349 0.000 1.068 805 A CA -0.341 51.557 52.037 -0.232 0.000 0.766 805 A CB -0.222 18.719 19.000 -0.099 0.000 1.003 805 A HN 0.536 nan 8.150 nan 0.000 0.497 806 W N 1.778 122.826 121.300 -0.420 0.000 2.304 806 W HA -0.218 4.442 4.660 0.001 0.000 0.315 806 W C 2.247 178.168 176.519 -0.996 0.000 1.233 806 W CA 1.849 58.672 57.345 -0.870 0.000 1.261 806 W CB -0.400 28.442 29.460 -1.031 0.000 1.150 806 W HN 0.569 nan 8.180 nan 0.000 0.494 807 V N 0.874 120.656 119.914 -0.221 0.000 2.332 807 V HA -0.286 3.835 4.120 0.001 0.000 0.248 807 V C 2.159 178.338 176.094 0.142 0.000 1.055 807 V CA 2.216 64.614 62.300 0.162 0.000 1.038 807 V CB -0.378 31.576 31.823 0.218 0.000 0.651 807 V HN 0.098 nan 8.190 nan 0.000 0.450 808 E N -0.163 120.028 120.200 -0.015 0.000 2.152 808 E HA -0.153 4.198 4.350 0.001 0.000 0.192 808 E C 2.345 178.919 176.600 -0.044 0.000 0.983 808 E CA 1.000 57.393 56.400 -0.013 0.000 0.818 808 E CB -0.304 29.362 29.700 -0.055 0.000 0.758 808 E HN 0.618 nan 8.360 nan 0.000 0.467 809 R N -0.270 120.126 120.500 -0.173 0.000 2.075 809 R HA -0.092 4.248 4.340 0.001 0.000 0.232 809 R C 2.272 178.524 176.300 -0.080 0.000 1.126 809 R CA 1.133 57.113 56.100 -0.200 0.000 0.963 809 R CB -0.145 29.920 30.300 -0.391 0.000 0.858 809 R HN 0.241 nan 8.270 nan 0.000 0.435 810 W N 1.540 122.817 121.300 -0.038 0.000 2.358 810 W HA -0.084 4.576 4.660 0.001 0.000 0.303 810 W C 1.899 178.410 176.519 -0.014 0.000 1.208 810 W CA 0.731 57.967 57.345 -0.182 0.000 1.274 810 W CB -0.642 28.840 29.460 0.038 0.000 1.138 810 W HN 0.108 nan 8.180 nan 0.000 0.515 811 K N 0.183 120.819 120.400 0.393 0.000 2.026 811 K HA -0.100 4.220 4.320 0.001 0.000 0.208 811 K C 2.275 178.945 176.600 0.118 0.000 1.048 811 K CA 1.843 58.311 56.287 0.301 0.000 0.929 811 K CB -0.635 31.986 32.500 0.201 0.000 0.713 811 K HN -0.020 nan 8.250 nan 0.000 0.439 812 A N 1.133 123.992 122.820 0.064 0.000 2.015 812 A HA -0.047 4.273 4.320 0.001 0.000 0.219 812 A C 2.181 179.773 177.584 0.012 0.000 1.163 812 A CA 1.647 53.704 52.037 0.034 0.000 0.646 812 A CB -0.467 18.540 19.000 0.011 0.000 0.806 812 A HN 0.341 nan 8.150 nan 0.000 0.448 813 A N -1.844 120.961 122.820 -0.025 0.000 2.208 813 A HA 0.401 4.722 4.320 0.001 0.000 0.209 813 A C 1.818 179.358 177.584 -0.073 0.000 1.161 813 A CA 1.222 53.251 52.037 -0.014 0.000 0.782 813 A CB -0.805 18.135 19.000 -0.100 0.000 0.816 813 A HN 1.834 nan 8.150 nan 0.000 0.477 814 G N -1.543 107.099 108.800 -0.264 0.000 2.143 814 G HA2 -0.307 3.654 3.960 0.001 0.000 0.249 814 G HA3 -0.307 3.654 3.960 0.001 0.000 0.249 814 G C 0.618 175.506 174.900 -0.021 0.000 0.981 814 G CA 0.681 45.395 45.100 -0.642 0.000 0.665 814 G HN 0.733 nan 8.290 nan 0.000 0.528 815 H N -1.376 117.678 119.070 -0.026 0.000 2.352 815 H HA -0.119 4.438 4.556 0.001 0.000 0.299 815 H C 2.176 177.467 175.328 -0.062 0.000 1.097 815 H CA 1.735 57.777 56.048 -0.010 0.000 1.311 815 H CB 0.073 29.770 29.762 -0.108 0.000 1.377 815 H HN 0.620 nan 8.280 nan 0.000 0.504 816 Y N 0.188 120.608 120.300 0.200 0.000 2.519 816 Y HA -0.067 4.483 4.550 0.001 0.000 0.287 816 Y C 1.946 177.923 175.900 0.127 0.000 1.128 816 Y CA 0.252 58.429 58.100 0.129 0.000 1.282 816 Y CB 0.454 38.977 38.460 0.105 0.000 1.027 816 Y HN 0.171 nan 8.280 nan 0.000 0.551 817 Q N -0.161 119.790 119.800 0.253 0.000 2.281 817 Q HA 0.309 4.649 4.340 0.001 0.000 0.215 817 Q C 0.766 176.934 176.000 0.281 0.000 0.867 817 Q CA 0.147 56.092 55.803 0.237 0.000 0.940 817 Q CB 0.131 29.001 28.738 0.220 0.000 1.111 817 Q HN 0.271 nan 8.270 nan 0.000 0.513 818 A N 2.032 125.032 122.820 0.300 0.000 2.584 818 A HA -0.010 4.310 4.320 0.001 0.000 0.239 818 A C -0.088 177.764 177.584 0.446 0.000 1.043 818 A CA 0.484 52.764 52.037 0.404 0.000 0.756 818 A CB 0.025 19.322 19.000 0.496 0.000 0.963 818 A HN 0.147 nan 8.150 nan 0.000 0.511 819 E N 1.168 121.560 120.200 0.319 0.000 2.166 819 E HA 0.500 4.850 4.350 0.001 0.000 0.275 819 E C -0.175 176.386 176.600 -0.066 0.000 0.941 819 E CA -0.570 55.935 56.400 0.176 0.000 0.784 819 E CB 1.781 31.554 29.700 0.122 0.000 1.115 819 E HN 0.770 nan 8.360 nan 0.000 0.399 820 A N 2.357 125.034 122.820 -0.238 0.000 2.354 820 A HA 0.524 4.844 4.320 0.001 0.000 0.281 820 A C -0.210 177.214 177.584 -0.267 0.000 1.174 820 A CA -0.316 51.297 52.037 -0.706 0.000 0.828 820 A CB 0.334 18.999 19.000 -0.559 0.000 1.099 820 A HN 0.601 nan 8.150 nan 0.000 0.516 821 A N 3.192 125.857 122.820 -0.258 0.000 2.267 821 A HA 0.555 4.876 4.320 0.001 0.000 0.315 821 A C -0.306 177.204 177.584 -0.124 0.000 1.297 821 A CA -0.573 51.395 52.037 -0.114 0.000 0.865 821 A CB 0.249 19.204 19.000 -0.076 0.000 1.165 821 A HN 1.228 nan 8.150 nan 0.000 0.513 822 L N 3.296 124.442 121.223 -0.129 0.000 2.534 822 L HA 0.176 4.516 4.340 0.001 0.000 0.271 822 L C 0.509 177.250 176.870 -0.215 0.000 1.178 822 L CA 0.578 55.242 54.840 -0.294 0.000 0.907 822 L CB 0.098 42.005 42.059 -0.253 0.000 1.164 822 L HN 0.771 nan 8.230 nan 0.000 0.482 823 L N 3.480 124.558 121.223 -0.242 0.000 2.470 823 L HA 0.306 4.647 4.340 0.001 0.000 0.219 823 L C 0.520 177.322 176.870 -0.114 0.000 1.071 823 L CA 0.074 54.838 54.840 -0.127 0.000 0.850 823 L CB 0.040 42.054 42.059 -0.074 0.000 1.040 823 L HN 0.736 nan 8.230 nan 0.000 0.475 824 Q N -0.415 119.289 119.800 -0.161 0.000 2.386 824 Q HA 0.328 4.669 4.340 0.001 0.000 0.274 824 Q C -2.073 173.864 176.000 -0.104 0.000 1.011 824 Q CA -0.512 55.232 55.803 -0.097 0.000 0.867 824 Q CB 3.071 31.778 28.738 -0.052 0.000 1.409 824 Q HN 0.049 nan 8.270 nan 0.000 0.395 825 C N 3.175 122.460 119.300 -0.024 0.000 2.982 825 C HA 0.691 5.152 4.460 0.001 0.000 0.372 825 C C -0.836 174.263 174.990 0.182 0.000 1.061 825 C CA 0.422 59.474 59.018 0.057 0.000 1.309 825 C CB 0.403 28.170 27.740 0.045 0.000 1.766 825 C HN 0.838 nan 8.230 nan 0.000 0.504 826 T N 2.181 116.785 114.554 0.085 0.000 2.916 826 T HA 0.920 5.270 4.350 0.001 0.000 0.292 826 T C -0.502 173.970 174.700 -0.380 0.000 1.064 826 T CA -0.295 61.795 62.100 -0.016 0.000 1.011 826 T CB 2.003 70.843 68.868 -0.047 0.000 1.152 826 T HN 1.721 nan 8.240 nan 0.000 0.510 827 A N 1.395 123.819 122.820 -0.661 0.000 2.359 827 A HA 0.720 5.040 4.320 0.001 0.000 0.303 827 A C -1.310 176.007 177.584 -0.445 0.000 1.066 827 A CA -0.759 50.781 52.037 -0.828 0.000 0.730 827 A CB 1.187 19.212 19.000 -1.624 0.000 1.211 827 A HN 0.833 nan 8.150 nan 0.000 0.439 828 D N 1.144 121.352 120.400 -0.320 0.000 2.575 828 D HA 0.540 5.181 4.640 0.001 0.000 0.236 828 D C -0.807 175.384 176.300 -0.182 0.000 1.075 828 D CA 0.035 53.913 54.000 -0.204 0.000 0.860 828 D CB 2.253 42.967 40.800 -0.144 0.000 1.475 828 D HN 0.375 nan 8.370 nan 0.000 0.474 829 T N 1.742 116.214 114.554 -0.137 0.000 2.749 829 T HA 0.457 4.808 4.350 0.001 0.000 0.287 829 T C 0.557 175.210 174.700 -0.078 0.000 0.970 829 T CA -0.488 61.544 62.100 -0.114 0.000 0.980 829 T CB 0.700 69.507 68.868 -0.101 0.000 0.924 829 T HN 0.070 nan 8.240 nan 0.000 0.456 830 L N 1.548 122.729 121.223 -0.070 0.000 2.440 830 L HA 0.581 4.922 4.340 0.001 0.000 0.262 830 L C 1.915 178.767 176.870 -0.031 0.000 1.072 830 L CA -1.113 53.698 54.840 -0.048 0.000 0.798 830 L CB 0.372 42.403 42.059 -0.047 0.000 1.307 830 L HN 0.690 nan 8.230 nan 0.000 0.475 831 A N 0.314 123.122 122.820 -0.019 0.000 2.019 831 A HA -0.141 4.180 4.320 0.001 0.000 0.219 831 A C 1.023 178.607 177.584 -0.000 0.000 1.164 831 A CA 1.883 53.916 52.037 -0.006 0.000 0.644 831 A CB -0.436 18.563 19.000 -0.002 0.000 0.805 831 A HN 0.900 nan 8.150 nan 0.000 0.449 832 D N -3.006 117.390 120.400 -0.007 0.000 2.602 832 D HA 0.510 5.151 4.640 0.001 0.000 0.265 832 D C -0.087 176.204 176.300 -0.015 0.000 1.454 832 D CA 0.694 54.693 54.000 -0.002 0.000 0.795 832 D CB -0.327 40.473 40.800 0.001 0.000 1.140 832 D HN 0.464 nan 8.370 nan 0.000 0.486 833 A N -0.445 122.356 122.820 -0.032 0.000 2.566 833 A HA 0.590 4.911 4.320 0.001 0.000 0.290 833 A C -1.741 175.794 177.584 -0.081 0.000 1.071 833 A CA -0.666 51.337 52.037 -0.056 0.000 0.658 833 A CB 1.516 20.480 19.000 -0.059 0.000 1.285 833 A HN 0.011 nan 8.150 nan 0.000 0.427 834 V N 0.736 120.581 119.914 -0.115 0.000 2.483 834 V HA 0.634 4.755 4.120 0.001 0.000 0.295 834 V C -0.788 175.204 176.094 -0.170 0.000 1.035 834 V CA -0.449 61.760 62.300 -0.151 0.000 0.896 834 V CB 1.378 33.102 31.823 -0.165 0.000 0.986 834 V HN 0.834 nan 8.190 nan 0.000 0.447 835 L N 6.295 127.406 121.223 -0.186 0.000 2.325 835 L HA 0.624 4.964 4.340 0.001 0.000 0.281 835 L C -0.765 175.957 176.870 -0.247 0.000 1.004 835 L CA 0.014 54.752 54.840 -0.170 0.000 0.823 835 L CB 1.184 43.171 42.059 -0.120 0.000 1.236 835 L HN 0.406 nan 8.230 nan 0.000 0.415 836 I N 4.069 124.489 120.570 -0.250 0.000 2.377 836 I HA 0.432 4.602 4.170 0.001 0.000 0.293 836 I C -0.083 175.987 176.117 -0.079 0.000 0.987 836 I CA -0.260 60.834 61.300 -0.344 0.000 1.185 836 I CB 1.534 39.065 38.000 -0.782 0.000 1.341 836 I HN 0.547 nan 8.210 nan 0.000 0.455 837 T N 4.792 119.300 114.554 -0.076 0.000 2.812 837 T HA 0.606 4.956 4.350 0.001 0.000 0.282 837 T C 0.134 174.864 174.700 0.049 0.000 0.990 837 T CA -0.542 61.569 62.100 0.017 0.000 0.960 837 T CB 1.744 70.600 68.868 -0.020 0.000 0.948 837 T HN 0.785 nan 8.240 nan 0.000 0.438 838 T N -0.339 114.287 114.554 0.120 0.000 2.901 838 T HA 0.894 5.244 4.350 0.001 0.000 0.293 838 T C -1.137 173.599 174.700 0.061 0.000 1.084 838 T CA -1.123 61.022 62.100 0.074 0.000 1.008 838 T CB 2.083 71.060 68.868 0.183 0.000 1.170 838 T HN 0.769 nan 8.240 nan 0.000 0.509 839 A N 1.433 124.197 122.820 -0.093 0.000 2.465 839 A HA 0.711 5.032 4.320 0.001 0.000 0.292 839 A C -1.445 176.015 177.584 -0.206 0.000 1.041 839 A CA -0.780 51.247 52.037 -0.016 0.000 0.718 839 A CB 0.717 19.717 19.000 -0.001 0.000 1.266 839 A HN 0.989 nan 8.150 nan 0.000 0.403 840 H N 0.413 119.530 119.070 0.077 0.000 2.747 840 H HA 0.784 5.341 4.556 0.001 0.000 0.371 840 H C 0.018 175.360 175.328 0.024 0.000 1.161 840 H CA 0.204 56.210 56.048 -0.071 0.000 1.167 840 H CB 2.155 31.747 29.762 -0.283 0.000 1.732 840 H HN 0.954 nan 8.280 nan 0.000 0.544 841 A N 2.134 124.961 122.820 0.011 0.000 2.319 841 A HA 0.309 4.630 4.320 0.001 0.000 0.310 841 A C -1.273 176.308 177.584 -0.005 0.000 1.152 841 A CA -0.689 51.403 52.037 0.092 0.000 0.783 841 A CB 0.755 19.783 19.000 0.047 0.000 1.184 841 A HN 0.592 nan 8.150 nan 0.000 0.474 842 W N 2.693 124.094 121.300 0.169 0.000 2.316 842 W HA 0.367 5.028 4.660 0.001 0.000 0.308 842 W C -0.205 176.331 176.519 0.027 0.000 1.106 842 W CA 0.009 57.448 57.345 0.157 0.000 1.262 842 W CB 1.244 30.861 29.460 0.260 0.000 1.233 842 W HN 0.733 nan 8.180 nan 0.000 0.447 843 Q N 1.298 121.207 119.800 0.183 0.000 2.399 843 Q HA 0.302 4.643 4.340 0.001 0.000 0.276 843 Q C -1.172 174.947 176.000 0.198 0.000 1.098 843 Q CA -0.999 54.880 55.803 0.126 0.000 0.827 843 Q CB 3.088 31.866 28.738 0.067 0.000 1.386 843 Q HN 0.326 nan 8.270 nan 0.000 0.443 844 H N 1.062 120.165 119.070 0.055 0.000 3.092 844 H HA 0.154 4.711 4.556 0.001 0.000 0.308 844 H C -1.341 174.019 175.328 0.053 0.000 1.047 844 H CA -0.170 55.922 56.048 0.073 0.000 1.466 844 H CB 0.355 30.170 29.762 0.089 0.000 1.597 844 H HN 0.619 nan 8.280 nan 0.000 0.512 845 Q N 3.837 123.477 119.800 -0.267 0.000 2.443 845 Q HA -0.239 4.102 4.340 0.001 0.000 0.362 845 Q C 1.072 177.011 176.000 -0.102 0.000 1.423 845 Q CA 1.073 56.739 55.803 -0.228 0.000 1.037 845 Q CB -1.408 27.103 28.738 -0.378 0.000 1.208 845 Q HN 1.280 nan 8.270 nan 0.000 0.334 846 G N -0.019 108.754 108.800 -0.045 0.000 2.284 846 G HA2 -0.400 3.561 3.960 0.001 0.000 0.261 846 G HA3 -0.400 3.561 3.960 0.001 0.000 0.261 846 G C 0.156 175.056 174.900 -0.000 0.000 0.997 846 G CA 0.758 45.847 45.100 -0.018 0.000 0.621 846 G HN 0.432 nan 8.290 nan 0.000 0.534 847 K N 1.938 122.344 120.400 0.010 0.000 2.234 847 K HA 0.616 4.936 4.320 0.001 0.000 0.277 847 K C -0.010 176.602 176.600 0.020 0.000 1.038 847 K CA -0.087 56.214 56.287 0.023 0.000 0.888 847 K CB 0.773 33.299 32.500 0.044 0.000 1.091 847 K HN 0.021 nan 8.250 nan 0.000 0.467 848 T N 6.499 121.054 114.554 0.002 0.000 2.727 848 T HA 0.197 4.547 4.350 0.001 0.000 0.295 848 T C 1.161 175.800 174.700 -0.101 0.000 0.915 848 T CA -0.323 61.771 62.100 -0.010 0.000 1.066 848 T CB 0.260 69.138 68.868 0.018 0.000 0.891 848 T HN 0.529 nan 8.240 nan 0.000 0.516 849 L N 2.404 123.476 121.223 -0.252 0.000 2.102 849 L HA 0.299 4.639 4.340 0.001 0.000 0.202 849 L C -0.125 176.206 176.870 -0.899 0.000 1.076 849 L CA 0.903 55.309 54.840 -0.722 0.000 0.761 849 L CB 0.017 41.327 42.059 -1.249 0.000 0.921 849 L HN 0.488 nan 8.230 nan 0.000 0.444 850 F N -1.221 118.683 119.950 -0.075 0.000 2.613 850 F HA 0.594 5.122 4.527 0.001 0.000 0.314 850 F C -0.470 175.426 175.800 0.160 0.000 1.075 850 F CA -1.011 56.900 58.000 -0.149 0.000 0.945 850 F CB 1.605 40.113 39.000 -0.820 0.000 1.310 850 F HN -0.326 nan 8.300 nan 0.000 0.467 851 I N 1.312 122.115 120.570 0.389 0.000 2.499 851 I HA 0.364 4.535 4.170 0.001 0.000 0.288 851 I C -0.904 175.488 176.117 0.459 0.000 1.048 851 I CA -0.538 61.006 61.300 0.406 0.000 1.062 851 I CB 2.229 40.376 38.000 0.244 0.000 1.238 851 I HN 0.568 nan 8.210 nan 0.000 0.426 852 S N 6.881 122.945 115.700 0.607 0.000 2.474 852 S HA 0.550 5.020 4.470 0.001 0.000 0.321 852 S C -0.622 174.222 174.600 0.406 0.000 1.080 852 S CA -0.658 57.875 58.200 0.555 0.000 1.106 852 S CB 0.610 64.291 63.200 0.801 0.000 0.984 852 S HN 0.538 nan 8.310 nan 0.000 0.464 853 R N 3.745 124.406 120.500 0.269 0.000 2.343 853 R HA 0.510 4.850 4.340 0.001 0.000 0.320 853 R C -0.654 175.727 176.300 0.134 0.000 0.956 853 R CA -0.650 55.562 56.100 0.187 0.000 0.836 853 R CB 1.632 32.014 30.300 0.137 0.000 1.151 853 R HN 0.573 nan 8.270 nan 0.000 0.450 854 K N 0.824 121.302 120.400 0.131 0.000 2.444 854 K HA 0.507 4.828 4.320 0.001 0.000 0.252 854 K C -0.680 175.922 176.600 0.004 0.000 0.993 854 K CA -0.943 55.354 56.287 0.017 0.000 0.847 854 K CB 2.458 34.956 32.500 -0.003 0.000 1.340 854 K HN 0.579 nan 8.250 nan 0.000 0.446 855 T N -1.440 113.035 114.554 -0.132 0.000 2.952 855 T HA 0.511 4.861 4.350 0.001 0.000 0.305 855 T C -1.401 173.194 174.700 -0.174 0.000 1.064 855 T CA -0.776 61.291 62.100 -0.054 0.000 1.008 855 T CB 0.442 69.291 68.868 -0.031 0.000 1.078 855 T HN 0.404 nan 8.240 nan 0.000 0.459 856 Y N 1.099 121.370 120.300 -0.049 0.000 2.326 856 Y HA 0.626 5.177 4.550 0.001 0.000 0.331 856 Y C 0.489 176.320 175.900 -0.116 0.000 0.962 856 Y CA -1.107 56.973 58.100 -0.032 0.000 1.167 856 Y CB 1.860 40.327 38.460 0.012 0.000 1.148 856 Y HN 0.659 nan 8.280 nan 0.000 0.463 857 R N 4.552 125.069 120.500 0.029 0.000 2.288 857 R HA 0.612 4.952 4.340 0.001 0.000 0.326 857 R C -1.529 174.713 176.300 -0.096 0.000 0.959 857 R CA -0.355 55.718 56.100 -0.045 0.000 0.834 857 R CB 0.468 30.750 30.300 -0.031 0.000 1.157 857 R HN 0.759 nan 8.270 nan 0.000 0.470 858 I N 5.076 125.537 120.570 -0.182 0.000 2.330 858 I HA 0.200 4.370 4.170 0.001 0.000 0.289 858 I C -0.190 175.814 176.117 -0.189 0.000 1.001 858 I CA -0.741 60.377 61.300 -0.303 0.000 1.193 858 I CB 1.403 39.044 38.000 -0.597 0.000 1.345 858 I HN 0.684 nan 8.210 nan 0.000 0.461 859 D N 4.092 124.418 120.400 -0.124 0.000 2.564 859 D HA 0.296 4.936 4.640 0.001 0.000 0.273 859 D C 1.353 177.640 176.300 -0.020 0.000 1.192 859 D CA -0.634 53.332 54.000 -0.056 0.000 1.080 859 D CB 0.607 41.391 40.800 -0.028 0.000 1.160 859 D HN 0.429 nan 8.370 nan 0.000 0.607 860 G N -1.223 107.582 108.800 0.007 0.000 2.470 860 G HA2 -0.205 3.756 3.960 0.001 0.000 0.220 860 G HA3 -0.205 3.756 3.960 0.001 0.000 0.220 860 G C 1.264 176.193 174.900 0.049 0.000 1.121 860 G CA 1.003 46.124 45.100 0.035 0.000 0.766 860 G HN 0.557 nan 8.290 nan 0.000 0.553 861 S N -0.407 115.314 115.700 0.036 0.000 2.607 861 S HA 0.329 4.799 4.470 0.001 0.000 0.224 861 S C 1.945 176.601 174.600 0.094 0.000 0.969 861 S CA 0.941 59.171 58.200 0.050 0.000 0.927 861 S CB -0.272 62.948 63.200 0.034 0.000 0.772 861 S HN 1.482 nan 8.310 nan 0.000 0.533 862 G N 0.356 109.232 108.800 0.126 0.000 2.184 862 G HA2 -0.279 3.682 3.960 0.001 0.000 0.264 862 G HA3 -0.279 3.682 3.960 0.001 0.000 0.264 862 G C -0.115 174.921 174.900 0.228 0.000 0.975 862 G CA 0.305 45.562 45.100 0.260 0.000 0.642 862 G HN 0.630 nan 8.290 nan 0.000 0.536 863 Q N -0.367 119.495 119.800 0.104 0.000 2.293 863 Q HA 0.603 4.943 4.340 0.001 0.000 0.251 863 Q C 0.316 176.318 176.000 0.005 0.000 0.930 863 Q CA -0.040 55.823 55.803 0.100 0.000 0.893 863 Q CB 1.276 30.065 28.738 0.086 0.000 1.215 863 Q HN 0.468 nan 8.270 nan 0.000 0.425 864 M N 2.116 121.755 119.600 0.065 0.000 2.078 864 M HA 0.494 4.975 4.480 0.001 0.000 0.320 864 M C -1.400 174.979 176.300 0.131 0.000 0.969 864 M CA -0.511 54.793 55.300 0.006 0.000 0.929 864 M CB 0.974 33.569 32.600 -0.009 0.000 1.504 864 M HN 0.684 nan 8.290 nan 0.000 0.419 865 A N 6.938 129.803 122.820 0.075 0.000 2.276 865 A HA 0.670 4.990 4.320 0.001 0.000 0.300 865 A C -0.728 176.883 177.584 0.046 0.000 1.235 865 A CA -0.557 51.529 52.037 0.082 0.000 0.867 865 A CB 0.092 19.121 19.000 0.050 0.000 1.137 865 A HN 0.922 nan 8.150 nan 0.000 0.527 866 I N 2.243 122.832 120.570 0.031 0.000 2.378 866 I HA 0.340 4.510 4.170 0.001 0.000 0.291 866 I C -0.121 175.900 176.117 -0.161 0.000 0.992 866 I CA -0.246 60.972 61.300 -0.138 0.000 1.154 866 I CB 2.199 40.137 38.000 -0.104 0.000 1.315 866 I HN 0.486 nan 8.210 nan 0.000 0.448 867 T N 5.670 120.089 114.554 -0.225 0.000 2.792 867 T HA 0.553 4.904 4.350 0.001 0.000 0.280 867 T C -0.386 174.142 174.700 -0.286 0.000 0.990 867 T CA -0.441 61.542 62.100 -0.196 0.000 0.960 867 T CB 1.832 70.683 68.868 -0.029 0.000 0.939 867 T HN 0.214 nan 8.240 nan 0.000 0.439 868 V N 3.829 123.453 119.914 -0.483 0.000 2.531 868 V HA 0.507 4.627 4.120 0.001 0.000 0.301 868 V C -0.826 175.105 176.094 -0.272 0.000 1.034 868 V CA -0.897 61.120 62.300 -0.470 0.000 0.865 868 V CB 2.067 33.315 31.823 -0.959 0.000 0.995 868 V HN 0.842 nan 8.190 nan 0.000 0.424 869 D N 3.361 123.768 120.400 0.011 0.000 2.620 869 D HA 0.521 5.162 4.640 0.001 0.000 0.252 869 D C -1.002 175.422 176.300 0.207 0.000 1.207 869 D CA -0.097 54.004 54.000 0.169 0.000 0.884 869 D CB 2.712 43.631 40.800 0.198 0.000 1.262 869 D HN 0.255 nan 8.370 nan 0.000 0.552 870 V N 2.147 122.222 119.914 0.267 0.000 2.628 870 V HA 0.334 4.454 4.120 0.001 0.000 0.306 870 V C 0.085 176.340 176.094 0.268 0.000 1.045 870 V CA -0.724 61.755 62.300 0.299 0.000 0.905 870 V CB 2.488 34.527 31.823 0.360 0.000 0.997 870 V HN 0.350 nan 8.190 nan 0.000 0.436 871 E N 2.279 122.625 120.200 0.244 0.000 2.171 871 E HA 0.617 4.967 4.350 0.001 0.000 0.271 871 E C -1.531 175.205 176.600 0.227 0.000 0.916 871 E CA -0.564 55.957 56.400 0.201 0.000 0.774 871 E CB 2.496 32.291 29.700 0.159 0.000 1.128 871 E HN 0.412 nan 8.360 nan 0.000 0.403 872 V N 2.273 122.324 119.914 0.228 0.000 2.444 872 V HA 0.358 4.478 4.120 0.001 0.000 0.294 872 V C 0.074 176.271 176.094 0.172 0.000 1.022 872 V CA -0.942 61.516 62.300 0.263 0.000 0.850 872 V CB 1.463 33.485 31.823 0.331 0.000 0.992 872 V HN 0.837 nan 8.190 nan 0.000 0.426 873 A N 3.650 126.522 122.820 0.087 0.000 2.566 873 A HA 0.242 4.562 4.320 0.001 0.000 0.245 873 A C 1.669 179.323 177.584 0.117 0.000 1.056 873 A CA 0.639 52.714 52.037 0.064 0.000 0.757 873 A CB 0.170 19.169 19.000 -0.002 0.000 0.979 873 A HN 1.368 nan 8.150 nan 0.000 0.508 874 S N 1.649 117.418 115.700 0.114 0.000 2.419 874 S HA -0.184 4.286 4.470 0.001 0.000 0.235 874 S C 0.944 175.624 174.600 0.134 0.000 1.019 874 S CA 1.415 59.701 58.200 0.143 0.000 0.982 874 S CB -0.321 62.942 63.200 0.104 0.000 0.789 874 S HN 0.830 nan 8.310 nan 0.000 0.490 875 D N 0.280 120.733 120.400 0.088 0.000 2.328 875 D HA 0.133 4.773 4.640 0.001 0.000 0.221 875 D C 0.409 176.743 176.300 0.058 0.000 1.072 875 D CA 0.047 54.083 54.000 0.060 0.000 0.850 875 D CB -0.318 40.505 40.800 0.038 0.000 0.922 875 D HN 0.321 nan 8.370 nan 0.000 0.516 876 T N 1.707 116.320 114.554 0.098 0.000 2.902 876 T HA 0.388 4.738 4.350 0.001 0.000 0.283 876 T C -2.660 172.146 174.700 0.177 0.000 1.009 876 T CA -1.978 60.200 62.100 0.131 0.000 1.051 876 T CB 1.552 70.508 68.868 0.146 0.000 0.999 876 T HN -0.115 nan 8.240 nan 0.000 0.474 877 P HA 0.088 nan 4.420 nan 0.000 0.265 877 P C -0.532 177.071 177.300 0.506 0.000 1.193 877 P CA -0.257 62.945 63.100 0.170 0.000 0.765 877 P CB 0.228 31.995 31.700 0.112 0.000 0.823 878 H N 3.423 122.856 119.070 0.605 0.000 3.125 878 H HA 0.036 4.592 4.556 0.001 0.000 0.310 878 H C -1.642 174.011 175.328 0.541 0.000 0.980 878 H CA -1.403 54.934 56.048 0.483 0.000 1.422 878 H CB -0.918 29.059 29.762 0.359 0.000 1.432 878 H HN 0.391 nan 8.280 nan 0.000 0.577 879 P HA 0.035 nan 4.420 nan 0.000 0.272 879 P C 0.355 177.530 177.300 -0.209 0.000 1.223 879 P CA -0.216 62.918 63.100 0.057 0.000 0.784 879 P CB 0.835 32.431 31.700 -0.174 0.000 0.923 880 A N 3.422 125.854 122.820 -0.645 0.000 2.015 880 A HA -0.087 4.234 4.320 0.001 0.000 0.219 880 A C 1.112 178.302 177.584 -0.657 0.000 1.163 880 A CA 1.253 52.883 52.037 -0.678 0.000 0.646 880 A CB -0.508 17.875 19.000 -1.028 0.000 0.806 880 A HN 0.765 nan 8.150 nan 0.000 0.448 881 R N -2.813 117.336 120.500 -0.585 0.000 2.712 881 R HA 0.722 5.063 4.340 0.001 0.000 0.272 881 R C -1.679 174.362 176.300 -0.430 0.000 1.032 881 R CA -0.787 54.993 56.100 -0.533 0.000 0.874 881 R CB 0.755 30.696 30.300 -0.598 0.000 1.256 881 R HN -0.014 nan 8.270 nan 0.000 0.468 882 I N 1.288 121.641 120.570 -0.360 0.000 2.542 882 I HA 0.635 4.805 4.170 0.001 0.000 0.278 882 I C -0.455 175.422 176.117 -0.401 0.000 1.069 882 I CA -0.379 60.729 61.300 -0.320 0.000 1.100 882 I CB 1.750 39.653 38.000 -0.163 0.000 1.204 882 I HN 0.984 nan 8.210 nan 0.000 0.470 883 G N 5.713 114.207 108.800 -0.510 0.000 2.650 883 G HA2 0.741 4.702 3.960 0.001 0.000 0.310 883 G HA3 0.741 4.702 3.960 0.001 0.000 0.310 883 G C -1.654 173.042 174.900 -0.339 0.000 1.270 883 G CA -0.555 44.268 45.100 -0.462 0.000 0.810 883 G HN 0.251 nan 8.290 nan 0.000 0.493 884 L N 0.822 121.895 121.223 -0.251 0.000 2.309 884 L HA 0.676 5.017 4.340 0.001 0.000 0.261 884 L C -0.720 176.023 176.870 -0.212 0.000 1.021 884 L CA -1.124 53.606 54.840 -0.184 0.000 0.823 884 L CB 2.492 44.532 42.059 -0.032 0.000 1.366 884 L HN 0.827 nan 8.230 nan 0.000 0.423 885 N N 0.412 119.023 118.700 -0.148 0.000 2.710 885 N HA 0.638 5.378 4.740 0.001 0.000 0.257 885 N C -1.412 174.098 175.510 0.000 0.000 1.327 885 N CA -0.522 52.475 53.050 -0.090 0.000 0.861 885 N CB 2.401 40.848 38.487 -0.067 0.000 1.532 885 N HN 0.846 nan 8.380 nan 0.000 0.499 886 C N -1.107 118.218 119.300 0.042 0.000 3.303 886 C HA 0.552 5.013 4.460 0.001 0.000 0.340 886 C C -1.054 173.804 174.990 -0.221 0.000 1.274 886 C CA -0.853 58.151 59.018 -0.023 0.000 1.234 886 C CB 1.084 28.831 27.740 0.011 0.000 1.532 886 C HN 0.856 nan 8.230 nan 0.000 0.483 887 Q N 1.436 120.881 119.800 -0.593 0.000 2.368 887 Q HA 0.646 4.986 4.340 0.001 0.000 0.256 887 Q C -1.046 174.674 176.000 -0.467 0.000 0.980 887 Q CA -0.418 54.787 55.803 -0.998 0.000 0.887 887 Q CB 0.813 28.527 28.738 -1.707 0.000 1.221 887 Q HN 0.775 nan 8.270 nan 0.000 0.458 888 L N 2.874 123.930 121.223 -0.278 0.000 2.371 888 L HA 0.275 4.616 4.340 0.001 0.000 0.272 888 L C 1.157 177.976 176.870 -0.085 0.000 1.124 888 L CA -0.253 54.547 54.840 -0.066 0.000 0.816 888 L CB 0.958 43.094 42.059 0.128 0.000 1.129 888 L HN 0.823 nan 8.230 nan 0.000 0.448 889 A N 2.204 124.995 122.820 -0.049 0.000 2.014 889 A HA -0.107 4.214 4.320 0.001 0.000 0.218 889 A C 1.123 178.699 177.584 -0.013 0.000 1.163 889 A CA 0.589 52.589 52.037 -0.062 0.000 0.652 889 A CB -0.235 18.722 19.000 -0.072 0.000 0.808 889 A HN 0.764 nan 8.150 nan 0.000 0.449 890 Q N -0.145 119.685 119.800 0.051 0.000 2.373 890 Q HA 0.398 4.739 4.340 0.001 0.000 0.255 890 Q C -1.055 174.985 176.000 0.066 0.000 0.980 890 Q CA 0.513 56.335 55.803 0.032 0.000 0.882 890 Q CB 0.845 29.599 28.738 0.028 0.000 1.249 890 Q HN 0.147 nan 8.270 nan 0.000 0.438 891 V N 3.480 123.389 119.914 -0.008 0.000 2.443 891 V HA 0.678 4.798 4.120 0.001 0.000 0.272 891 V C -0.464 175.599 176.094 -0.051 0.000 1.002 891 V CA -0.313 62.016 62.300 0.049 0.000 0.840 891 V CB 0.642 32.481 31.823 0.026 0.000 1.042 891 V HN 0.901 nan 8.190 nan 0.000 0.446 892 A N 2.843 125.548 122.820 -0.193 0.000 2.248 892 A HA 0.737 5.057 4.320 0.001 0.000 0.316 892 A C 0.794 178.389 177.584 0.018 0.000 1.101 892 A CA -0.347 51.553 52.037 -0.230 0.000 0.875 892 A CB 0.921 19.572 19.000 -0.582 0.000 1.207 892 A HN 0.746 nan 8.150 nan 0.000 0.504 893 E N -0.415 119.795 120.200 0.016 0.000 2.250 893 E HA 0.025 4.375 4.350 0.001 0.000 0.192 893 E C 0.093 176.767 176.600 0.124 0.000 0.986 893 E CA 0.398 56.840 56.400 0.070 0.000 0.849 893 E CB 0.210 29.930 29.700 0.035 0.000 0.797 893 E HN 0.400 nan 8.360 nan 0.000 0.482 894 R N 0.449 121.031 120.500 0.136 0.000 2.873 894 R HA 0.541 4.881 4.340 0.001 0.000 0.264 894 R C -0.737 175.749 176.300 0.311 0.000 1.026 894 R CA -0.899 55.312 56.100 0.186 0.000 1.002 894 R CB 1.775 32.151 30.300 0.128 0.000 1.174 894 R HN -0.176 nan 8.270 nan 0.000 0.488 895 V N 2.026 122.135 119.914 0.324 0.000 2.524 895 V HA 0.307 4.427 4.120 0.001 0.000 0.297 895 V C -0.471 175.906 176.094 0.471 0.000 1.035 895 V CA -0.921 61.615 62.300 0.393 0.000 0.867 895 V CB 1.826 33.828 31.823 0.298 0.000 1.004 895 V HN 0.631 nan 8.190 nan 0.000 0.426 896 N N 4.737 123.682 118.700 0.408 0.000 2.372 896 N HA 0.558 5.299 4.740 0.001 0.000 0.285 896 N C -1.358 174.405 175.510 0.421 0.000 1.008 896 N CA -0.383 52.869 53.050 0.336 0.000 0.880 896 N CB 2.529 41.108 38.487 0.154 0.000 1.239 896 N HN 0.790 nan 8.380 nan 0.000 0.484 897 W N 3.402 124.743 121.300 0.068 0.000 3.213 897 W HA 0.535 5.196 4.660 0.001 0.000 0.318 897 W C -2.104 174.384 176.519 -0.052 0.000 1.248 897 W CA -1.106 56.256 57.345 0.028 0.000 1.187 897 W CB 0.588 30.104 29.460 0.093 0.000 1.403 897 W HN 0.211 nan 8.180 nan 0.000 0.556 898 L N 4.660 125.841 121.223 -0.070 0.000 2.277 898 L HA 0.908 5.249 4.340 0.001 0.000 0.284 898 L C 0.054 176.755 176.870 -0.282 0.000 1.028 898 L CA 0.409 55.013 54.840 -0.392 0.000 0.835 898 L CB 0.465 42.367 42.059 -0.261 0.000 1.215 898 L HN 0.974 nan 8.230 nan 0.000 0.425 899 G N 3.844 112.372 108.800 -0.454 0.000 2.364 899 G HA2 0.223 4.184 3.960 0.001 0.000 0.286 899 G HA3 0.223 4.184 3.960 0.001 0.000 0.286 899 G C -1.608 173.379 174.900 0.145 0.000 1.241 899 G CA -1.034 44.065 45.100 -0.003 0.000 0.887 899 G HN 0.403 nan 8.290 nan 0.000 0.484 900 L N 1.280 122.709 121.223 0.343 0.000 2.360 900 L HA 0.603 4.943 4.340 0.001 0.000 0.276 900 L C 1.027 178.034 176.870 0.229 0.000 1.121 900 L CA 0.619 55.611 54.840 0.254 0.000 0.845 900 L CB 0.485 42.632 42.059 0.147 0.000 1.143 900 L HN 1.064 nan 8.230 nan 0.000 0.452 901 G N 3.192 111.929 108.800 -0.104 0.000 2.494 901 G HA2 0.296 4.256 3.960 0.001 0.000 0.308 901 G HA3 0.296 4.256 3.960 0.001 0.000 0.308 901 G C -2.679 171.432 174.900 -1.315 0.000 1.263 901 G CA -0.239 44.446 45.100 -0.691 0.000 0.840 901 G HN 0.320 nan 8.290 nan 0.000 0.479 902 P HA 0.053 nan 4.420 nan 0.000 0.227 902 P C 0.443 177.540 177.300 -0.338 0.000 1.161 902 P CA 0.623 63.070 63.100 -1.089 0.000 0.788 902 P CB 0.538 31.691 31.700 -0.912 0.000 0.822 903 Q N 0.655 120.245 119.800 -0.350 0.000 2.382 903 Q HA 0.121 4.461 4.340 0.001 0.000 0.229 903 Q C 0.440 176.323 176.000 -0.195 0.000 1.006 903 Q CA -0.470 55.206 55.803 -0.211 0.000 0.916 903 Q CB 0.662 29.295 28.738 -0.176 0.000 1.235 903 Q HN 0.152 nan 8.270 nan 0.000 0.512 904 E N 1.627 121.716 120.200 -0.185 0.000 2.529 904 E HA -0.125 4.225 4.350 0.001 0.000 0.259 904 E C -1.169 175.344 176.600 -0.146 0.000 0.966 904 E CA 0.305 56.581 56.400 -0.206 0.000 0.937 904 E CB 0.222 29.853 29.700 -0.114 0.000 0.923 904 E HN 0.601 nan 8.360 nan 0.000 0.468 905 N N 2.842 121.389 118.700 -0.254 0.000 2.371 905 N HA 0.298 5.038 4.740 0.001 0.000 0.280 905 N C -1.880 173.425 175.510 -0.340 0.000 1.084 905 N CA -0.683 52.274 53.050 -0.154 0.000 0.892 905 N CB 0.717 39.133 38.487 -0.118 0.000 1.653 905 N HN 0.242 nan 8.380 nan 0.000 0.480 906 Y N 0.454 120.663 120.300 -0.152 0.000 2.621 906 Y HA 0.509 5.060 4.550 0.001 0.000 0.334 906 Y C -1.566 174.262 175.900 -0.120 0.000 1.074 906 Y CA -2.063 55.935 58.100 -0.171 0.000 1.149 906 Y CB 1.651 40.003 38.460 -0.180 0.000 1.302 906 Y HN 0.443 nan 8.280 nan 0.000 0.501 907 P HA -0.209 nan 4.420 nan 0.000 0.217 907 P C 0.354 177.532 177.300 -0.203 0.000 1.158 907 P CA 2.332 65.478 63.100 0.077 0.000 0.887 907 P CB 0.175 32.027 31.700 0.253 0.000 0.792 908 D N -2.492 117.564 120.400 -0.573 0.000 2.342 908 D HA 0.018 4.658 4.640 0.001 0.000 0.221 908 D C 0.627 176.769 176.300 -0.262 0.000 1.101 908 D CA 0.072 53.541 54.000 -0.885 0.000 0.837 908 D CB -0.308 39.730 40.800 -1.271 0.000 0.938 908 D HN 0.120 nan 8.370 nan 0.000 0.508 909 R N 1.035 121.483 120.500 -0.086 0.000 2.734 909 R HA 0.195 4.536 4.340 0.001 0.000 0.242 909 R C -0.721 175.610 176.300 0.052 0.000 1.617 909 R CA -0.168 55.947 56.100 0.025 0.000 1.572 909 R CB 0.050 30.369 30.300 0.031 0.000 1.477 909 R HN 0.118 nan 8.270 nan 0.000 0.707 910 L N -1.679 119.583 121.223 0.064 0.000 3.521 910 L HA 0.333 4.674 4.340 0.001 0.000 0.323 910 L C 1.228 178.157 176.870 0.099 0.000 1.268 910 L CA 0.091 54.969 54.840 0.063 0.000 1.064 910 L CB 0.193 42.279 42.059 0.046 0.000 1.455 910 L HN 0.091 nan 8.230 nan 0.000 0.622 911 T N -2.730 111.909 114.554 0.142 0.000 2.867 911 T HA 0.041 4.391 4.350 0.001 0.000 0.268 911 T C 1.787 176.547 174.700 0.099 0.000 1.057 911 T CA 1.281 63.492 62.100 0.186 0.000 1.136 911 T CB -0.294 68.733 68.868 0.266 0.000 0.874 911 T HN 0.386 nan 8.240 nan 0.000 0.466 912 A N 1.777 124.650 122.820 0.088 0.000 2.016 912 A HA 0.632 4.952 4.320 0.001 0.000 0.217 912 A C 1.682 179.328 177.584 0.105 0.000 1.162 912 A CA 0.554 52.580 52.037 -0.018 0.000 0.662 912 A CB -1.003 18.130 19.000 0.223 0.000 0.812 912 A HN 0.830 nan 8.150 nan 0.000 0.450 913 A N -1.025 121.818 122.820 0.039 0.000 2.445 913 A HA 0.417 4.738 4.320 0.001 0.000 0.242 913 A C 0.062 177.668 177.584 0.037 0.000 1.075 913 A CA 0.024 52.048 52.037 -0.021 0.000 0.777 913 A CB -0.215 18.767 19.000 -0.029 0.000 1.013 913 A HN 0.494 nan 8.150 nan 0.000 0.493 914 C N 0.938 120.256 119.300 0.030 0.000 2.493 914 C HA 0.557 5.018 4.460 0.001 0.000 0.326 914 C C -0.105 174.999 174.990 0.190 0.000 1.200 914 C CA -0.465 58.629 59.018 0.127 0.000 1.739 914 C CB 0.748 28.576 27.740 0.148 0.000 2.300 914 C HN 0.784 nan 8.230 nan 0.000 0.500 915 F N 3.851 123.651 119.950 -0.250 0.000 2.445 915 F HA 0.510 5.037 4.527 0.001 0.000 0.359 915 F C 0.377 175.840 175.800 -0.562 0.000 1.101 915 F CA 1.092 58.782 58.000 -0.518 0.000 1.177 915 F CB 0.037 38.204 39.000 -1.389 0.000 1.110 915 F HN 0.649 nan 8.300 nan 0.000 0.522 916 D N 3.158 122.872 120.400 -1.142 0.000 2.893 916 D HA 0.113 4.754 4.640 0.001 0.000 0.346 916 D C -1.701 173.678 176.300 -1.535 0.000 1.402 916 D CA -0.732 52.508 54.000 -1.268 0.000 0.815 916 D CB 1.260 41.327 40.800 -1.222 0.000 1.403 916 D HN 0.447 nan 8.370 nan 0.000 0.484 917 R N 0.873 120.594 120.500 -1.298 0.000 2.196 917 R HA 0.474 4.814 4.340 0.001 0.000 0.340 917 R C -1.362 174.207 176.300 -1.218 0.000 1.043 917 R CA -0.040 55.451 56.100 -1.016 0.000 0.883 917 R CB 0.022 29.961 30.300 -0.602 0.000 1.078 917 R HN 0.263 nan 8.270 nan 0.000 0.462 918 W N 2.817 123.602 121.300 -0.857 0.000 2.627 918 W HA 0.400 5.061 4.660 0.001 0.000 0.339 918 W C -0.435 175.698 176.519 -0.643 0.000 1.058 918 W CA -0.743 56.040 57.345 -0.937 0.000 1.223 918 W CB 1.754 30.193 29.460 -1.701 0.000 1.389 918 W HN 0.387 nan 8.180 nan 0.000 0.541 919 D N 2.914 123.277 120.400 -0.061 0.000 2.602 919 D HA 0.474 5.114 4.640 0.001 0.000 0.245 919 D C -1.474 174.926 176.300 0.167 0.000 1.325 919 D CA -0.170 53.883 54.000 0.088 0.000 0.952 919 D CB 0.991 41.807 40.800 0.026 0.000 1.317 919 D HN 0.383 nan 8.370 nan 0.000 0.577 920 L N 3.305 124.700 121.223 0.286 0.000 2.359 920 L HA 0.608 4.949 4.340 0.001 0.000 0.256 920 L C -2.272 174.715 176.870 0.195 0.000 1.026 920 L CA -2.093 52.883 54.840 0.228 0.000 0.828 920 L CB 2.848 45.072 42.059 0.274 0.000 1.406 920 L HN 0.181 nan 8.230 nan 0.000 0.413 921 P HA 0.029 nan 4.420 nan 0.000 0.275 921 P C 0.571 177.946 177.300 0.125 0.000 1.228 921 P CA -0.438 62.734 63.100 0.119 0.000 0.786 921 P CB 1.325 33.075 31.700 0.082 0.000 0.927 922 L N 3.566 124.869 121.223 0.133 0.000 2.089 922 L HA -0.254 4.087 4.340 0.001 0.000 0.213 922 L C 2.387 179.299 176.870 0.070 0.000 1.079 922 L CA 2.788 57.692 54.840 0.107 0.000 0.758 922 L CB -1.543 40.594 42.059 0.129 0.000 0.891 922 L HN 0.489 nan 8.230 nan 0.000 0.433 923 S N -1.860 113.886 115.700 0.076 0.000 2.419 923 S HA -0.167 4.303 4.470 0.001 0.000 0.233 923 S C 1.553 176.216 174.600 0.105 0.000 1.016 923 S CA 1.149 59.407 58.200 0.097 0.000 0.974 923 S CB -0.720 62.531 63.200 0.086 0.000 0.786 923 S HN 0.536 nan 8.310 nan 0.000 0.492 924 D N 0.917 121.357 120.400 0.067 0.000 2.363 924 D HA 0.139 4.779 4.640 0.001 0.000 0.226 924 D C 1.075 177.369 176.300 -0.009 0.000 1.020 924 D CA 0.459 54.475 54.000 0.028 0.000 0.892 924 D CB -0.064 40.758 40.800 0.037 0.000 0.900 924 D HN 0.375 nan 8.370 nan 0.000 0.531 925 M N -0.445 119.157 119.600 0.003 0.000 2.495 925 M HA 0.067 4.548 4.480 0.001 0.000 0.237 925 M C -0.090 176.193 176.300 -0.028 0.000 1.131 925 M CA -0.076 55.174 55.300 -0.083 0.000 1.032 925 M CB -0.717 31.821 32.600 -0.103 0.000 1.513 925 M HN -0.050 nan 8.290 nan 0.000 0.488 926 Y N 0.031 120.276 120.300 -0.092 0.000 2.376 926 Y HA 0.495 5.045 4.550 0.001 0.000 0.340 926 Y C -0.743 175.096 175.900 -0.101 0.000 0.965 926 Y CA -1.012 57.053 58.100 -0.058 0.000 1.078 926 Y CB 1.272 39.758 38.460 0.044 0.000 1.193 926 Y HN -0.133 nan 8.280 nan 0.000 0.452 927 T N 9.130 123.237 114.554 -0.745 0.000 2.743 927 T HA 0.264 4.614 4.350 0.001 0.000 0.292 927 T C -2.573 171.368 174.700 -1.265 0.000 0.972 927 T CA -1.468 60.105 62.100 -0.878 0.000 0.967 927 T CB 1.020 69.408 68.868 -0.800 0.000 0.926 927 T HN 0.476 nan 8.240 nan 0.000 0.459 928 P HA 0.058 nan 4.420 nan 0.000 0.238 928 P C -0.627 176.535 177.300 -0.230 0.000 1.714 928 P CA -0.352 62.337 63.100 -0.684 0.000 0.908 928 P CB -0.751 30.684 31.700 -0.441 0.000 1.893 929 Y N -0.343 119.885 120.300 -0.120 0.000 2.717 929 Y HA -0.104 4.447 4.550 0.001 0.000 0.330 929 Y C 2.305 178.250 175.900 0.075 0.000 1.217 929 Y CA -0.501 57.590 58.100 -0.015 0.000 1.506 929 Y CB 0.419 38.791 38.460 -0.147 0.000 1.268 929 Y HN -0.104 nan 8.280 nan 0.000 0.561 930 V N 3.663 123.793 119.914 0.360 0.000 2.282 930 V HA -0.330 3.790 4.120 0.001 0.000 0.249 930 V C 0.667 176.940 176.094 0.297 0.000 1.057 930 V CA 1.515 64.013 62.300 0.331 0.000 1.032 930 V CB -0.582 31.476 31.823 0.392 0.000 0.645 930 V HN 0.597 nan 8.190 nan 0.000 0.447 931 F N 3.278 123.282 119.950 0.090 0.000 2.375 931 F HA 0.486 5.014 4.527 0.001 0.000 0.362 931 F C -2.410 173.399 175.800 0.014 0.000 1.129 931 F CA -3.751 54.245 58.000 -0.005 0.000 1.154 931 F CB 0.462 39.358 39.000 -0.174 0.000 1.205 931 F HN 0.011 nan 8.300 nan 0.000 0.513 932 P HA 0.229 nan 4.420 nan 0.000 0.268 932 P C -1.004 175.911 177.300 -0.643 0.000 1.205 932 P CA 0.227 63.062 63.100 -0.443 0.000 0.771 932 P CB 1.030 32.527 31.700 -0.339 0.000 0.858 933 S N 0.160 115.688 115.700 -0.287 0.000 2.683 933 S HA 0.420 4.891 4.470 0.001 0.000 0.269 933 S C -0.897 173.668 174.600 -0.058 0.000 1.165 933 S CA -1.000 57.078 58.200 -0.202 0.000 0.840 933 S CB 0.350 63.443 63.200 -0.178 0.000 1.169 933 S HN 0.334 nan 8.310 nan 0.000 0.490 934 E N 1.264 121.450 120.200 -0.024 0.000 2.502 934 E HA 0.383 4.733 4.350 0.001 0.000 0.261 934 E C -0.189 176.464 176.600 0.087 0.000 0.974 934 E CA 0.847 57.270 56.400 0.039 0.000 0.936 934 E CB -0.219 29.533 29.700 0.086 0.000 0.926 934 E HN 0.820 nan 8.360 nan 0.000 0.459 935 N N 1.356 120.138 118.700 0.136 0.000 3.046 935 N HA 0.466 5.207 4.740 0.001 0.000 0.243 935 N C 0.132 175.676 175.510 0.056 0.000 1.452 935 N CA -0.521 52.645 53.050 0.192 0.000 0.882 935 N CB 0.842 39.440 38.487 0.185 0.000 1.425 935 N HN 0.747 nan 8.380 nan 0.000 0.517 936 G N -1.246 107.545 108.800 -0.014 0.000 2.168 936 G HA2 -0.265 3.696 3.960 0.001 0.000 0.263 936 G HA3 -0.265 3.696 3.960 0.001 0.000 0.263 936 G C -0.227 174.389 174.900 -0.473 0.000 0.977 936 G CA 0.432 45.403 45.100 -0.215 0.000 0.659 936 G HN 0.730 nan 8.290 nan 0.000 0.533 937 L N -0.016 120.842 121.223 -0.607 0.000 2.483 937 L HA 0.668 5.008 4.340 0.001 0.000 0.276 937 L C 0.635 176.929 176.870 -0.960 0.000 1.213 937 L CA 0.393 54.655 54.840 -0.964 0.000 0.843 937 L CB 0.559 41.743 42.059 -1.458 0.000 1.107 937 L HN 0.247 nan 8.230 nan 0.000 0.487 938 R N 2.563 122.434 120.500 -1.048 0.000 2.532 938 R HA 0.499 4.840 4.340 0.001 0.000 0.297 938 R C -0.978 175.017 176.300 -0.507 0.000 0.984 938 R CA -0.278 55.348 56.100 -0.791 0.000 0.884 938 R CB 1.373 31.016 30.300 -1.095 0.000 1.182 938 R HN 0.723 nan 8.270 nan 0.000 0.442 939 C N 0.230 119.368 119.300 -0.270 0.000 2.484 939 C HA 0.699 5.160 4.460 0.001 0.000 0.409 939 C C 1.323 176.318 174.990 0.009 0.000 1.434 939 C CA -0.051 58.888 59.018 -0.133 0.000 1.913 939 C CB 1.258 28.932 27.740 -0.110 0.000 2.028 939 C HN 1.022 nan 8.230 nan 0.000 0.516 940 G N 1.660 110.472 108.800 0.021 0.000 2.379 940 G HA2 -0.193 3.768 3.960 0.001 0.000 0.297 940 G HA3 -0.193 3.768 3.960 0.001 0.000 0.297 940 G C -0.022 174.961 174.900 0.139 0.000 1.004 940 G CA 0.688 45.841 45.100 0.089 0.000 0.921 940 G HN 0.798 nan 8.290 nan 0.000 0.511 941 T N 0.015 114.541 114.554 -0.046 0.000 2.771 941 T HA 0.494 4.845 4.350 0.001 0.000 0.291 941 T C 1.359 175.797 174.700 -0.436 0.000 0.954 941 T CA -0.608 61.416 62.100 -0.127 0.000 1.045 941 T CB 1.389 70.173 68.868 -0.140 0.000 0.917 941 T HN 0.223 nan 8.240 nan 0.000 0.484 942 R N 1.560 121.992 120.500 -0.113 0.000 2.254 942 R HA 0.281 4.622 4.340 0.001 0.000 0.193 942 R C 0.574 176.864 176.300 -0.018 0.000 0.929 942 R CA 0.248 56.313 56.100 -0.058 0.000 1.038 942 R CB 0.343 30.741 30.300 0.164 0.000 1.009 942 R HN 0.690 nan 8.270 nan 0.000 0.512 943 E N 0.554 120.762 120.200 0.014 0.000 2.321 943 E HA 0.316 4.667 4.350 0.001 0.000 0.281 943 E C -1.804 174.913 176.600 0.196 0.000 0.910 943 E CA -0.664 55.822 56.400 0.143 0.000 0.770 943 E CB 1.542 31.306 29.700 0.107 0.000 1.225 943 E HN -0.093 nan 8.360 nan 0.000 0.417 944 L N 3.979 125.381 121.223 0.300 0.000 2.386 944 L HA 0.610 4.951 4.340 0.001 0.000 0.271 944 L C -1.772 175.280 176.870 0.303 0.000 0.993 944 L CA -0.421 54.553 54.840 0.224 0.000 0.819 944 L CB 1.798 43.863 42.059 0.010 0.000 1.294 944 L HN 0.474 nan 8.230 nan 0.000 0.414 945 N N 4.294 123.155 118.700 0.267 0.000 2.346 945 N HA 0.405 5.145 4.740 0.001 0.000 0.289 945 N C -2.037 173.694 175.510 0.368 0.000 1.027 945 N CA -0.257 52.945 53.050 0.253 0.000 0.864 945 N CB 2.232 40.814 38.487 0.157 0.000 1.370 945 N HN 0.608 nan 8.380 nan 0.000 0.481 946 Y N 1.189 121.611 120.300 0.204 0.000 2.323 946 Y HA 0.404 4.954 4.550 0.001 0.000 0.322 946 Y C 0.622 176.609 175.900 0.144 0.000 1.133 946 Y CA 0.183 58.408 58.100 0.208 0.000 1.093 946 Y CB 0.589 39.239 38.460 0.316 0.000 1.203 946 Y HN 0.849 nan 8.280 nan 0.000 0.427 947 G N 6.610 115.230 108.800 -0.299 0.000 2.583 947 G HA2 -0.299 3.661 3.960 0.001 0.000 0.292 947 G HA3 -0.299 3.661 3.960 0.001 0.000 0.292 947 G C -1.740 173.031 174.900 -0.215 0.000 1.203 947 G CA 0.170 45.077 45.100 -0.322 0.000 0.987 947 G HN 0.603 nan 8.290 nan 0.000 0.554 948 P HA 0.144 nan 4.420 nan 0.000 0.251 948 P C 0.148 177.248 177.300 -0.333 0.000 1.223 948 P CA 0.631 63.537 63.100 -0.323 0.000 0.796 948 P CB 0.057 31.526 31.700 -0.385 0.000 1.068 949 H N 0.520 119.518 119.070 -0.121 0.000 2.505 949 H HA 0.464 5.020 4.556 0.001 0.000 0.351 949 H C -0.008 175.029 175.328 -0.486 0.000 1.151 949 H CA 0.128 55.971 56.048 -0.342 0.000 1.339 949 H CB 1.461 30.851 29.762 -0.619 0.000 1.483 949 H HN 0.109 nan 8.280 nan 0.000 0.558 950 Q N 2.248 121.736 119.800 -0.520 0.000 2.268 950 Q HA 0.212 4.552 4.340 0.001 0.000 0.266 950 Q C -1.675 174.041 176.000 -0.473 0.000 1.006 950 Q CA -0.651 54.961 55.803 -0.320 0.000 0.824 950 Q CB 2.090 30.787 28.738 -0.068 0.000 1.306 950 Q HN 0.590 nan 8.270 nan 0.000 0.424 951 W N 3.991 125.250 121.300 -0.068 0.000 2.656 951 W HA 0.565 5.225 4.660 0.001 0.000 0.327 951 W C -0.174 176.445 176.519 0.167 0.000 1.041 951 W CA -0.652 56.635 57.345 -0.097 0.000 1.229 951 W CB 1.939 31.146 29.460 -0.421 0.000 1.397 951 W HN 0.506 nan 8.180 nan 0.000 0.479 952 R N 0.663 121.408 120.500 0.408 0.000 2.807 952 R HA 0.803 5.144 4.340 0.001 0.000 0.276 952 R C 0.259 176.813 176.300 0.424 0.000 0.979 952 R CA -0.420 55.906 56.100 0.378 0.000 0.928 952 R CB 2.397 32.829 30.300 0.221 0.000 1.191 952 R HN 0.741 nan 8.270 nan 0.000 0.471 953 G N 0.708 109.696 108.800 0.313 0.000 2.480 953 G HA2 -0.045 3.915 3.960 0.001 0.000 0.109 953 G HA3 -0.045 3.915 3.960 0.001 0.000 0.109 953 G C -1.734 173.221 174.900 0.091 0.000 1.172 953 G CA -0.372 44.887 45.100 0.265 0.000 1.091 953 G HN 0.515 nan 8.290 nan 0.000 0.464 954 D N 0.077 120.534 120.400 0.095 0.000 2.411 954 D HA 0.591 5.231 4.640 0.001 0.000 0.239 954 D C -0.643 175.628 176.300 -0.047 0.000 1.307 954 D CA -0.428 53.535 54.000 -0.062 0.000 0.930 954 D CB 0.133 40.945 40.800 0.021 0.000 1.395 954 D HN 0.606 nan 8.370 nan 0.000 0.536 955 F N -0.186 119.744 119.950 -0.033 0.000 2.706 955 F HA 0.756 5.284 4.527 0.001 0.000 0.328 955 F C -0.928 174.824 175.800 -0.080 0.000 1.123 955 F CA -0.998 56.921 58.000 -0.135 0.000 0.978 955 F CB 0.729 39.633 39.000 -0.159 0.000 1.404 955 F HN -0.152 nan 8.300 nan 0.000 0.497 956 Q N 1.355 121.263 119.800 0.179 0.000 2.351 956 Q HA 0.694 5.034 4.340 0.001 0.000 0.273 956 Q C -1.236 174.860 176.000 0.160 0.000 1.077 956 Q CA -0.566 55.257 55.803 0.034 0.000 0.843 956 Q CB 2.756 31.401 28.738 -0.156 0.000 1.367 956 Q HN 0.889 nan 8.270 nan 0.000 0.449 957 F N -1.332 118.490 119.950 -0.214 0.000 2.719 957 F HA 0.680 5.207 4.527 0.001 0.000 0.309 957 F C -1.924 173.645 175.800 -0.385 0.000 1.138 957 F CA -1.093 56.732 58.000 -0.292 0.000 0.943 957 F CB 1.376 40.222 39.000 -0.256 0.000 1.304 957 F HN 0.580 nan 8.300 nan 0.000 0.445 958 N N 2.153 120.634 118.700 -0.364 0.000 2.277 958 N HA 0.704 5.444 4.740 0.001 0.000 0.286 958 N C -2.188 173.232 175.510 -0.150 0.000 1.140 958 N CA -0.699 52.109 53.050 -0.404 0.000 0.799 958 N CB 2.594 40.889 38.487 -0.321 0.000 1.596 958 N HN 1.136 nan 8.380 nan 0.000 0.473 959 I N 0.717 121.200 120.570 -0.146 0.000 2.607 959 I HA 0.761 4.931 4.170 0.001 0.000 0.290 959 I C -1.290 174.733 176.117 -0.156 0.000 1.129 959 I CA -0.059 61.139 61.300 -0.171 0.000 1.042 959 I CB 1.489 39.330 38.000 -0.265 0.000 1.242 959 I HN 1.057 nan 8.210 nan 0.000 0.421 960 S N 6.208 121.828 115.700 -0.134 0.000 2.669 960 S HA 0.485 4.956 4.470 0.001 0.000 0.266 960 S C -0.233 174.257 174.600 -0.183 0.000 1.149 960 S CA -0.959 57.149 58.200 -0.153 0.000 0.842 960 S CB 1.482 64.631 63.200 -0.085 0.000 1.160 960 S HN 0.641 nan 8.310 nan 0.000 0.487 961 R N -0.276 119.957 120.500 -0.444 0.000 2.317 961 R HA 0.267 4.607 4.340 0.001 0.000 0.208 961 R C -0.805 175.187 176.300 -0.513 0.000 0.914 961 R CA 0.320 56.139 56.100 -0.468 0.000 1.060 961 R CB -0.867 29.063 30.300 -0.617 0.000 1.015 961 R HN 0.663 nan 8.270 nan 0.000 0.498 962 Y N 0.433 120.685 120.300 -0.081 0.000 2.341 962 Y HA 0.222 4.773 4.550 0.001 0.000 0.338 962 Y C 0.768 176.475 175.900 -0.321 0.000 0.965 962 Y CA -1.088 56.888 58.100 -0.206 0.000 1.108 962 Y CB 1.449 39.727 38.460 -0.303 0.000 1.180 962 Y HN -0.112 nan 8.280 nan 0.000 0.458 963 S N 1.742 117.141 115.700 -0.501 0.000 2.617 963 S HA 0.088 4.559 4.470 0.001 0.000 0.269 963 S C 0.865 175.131 174.600 -0.556 0.000 1.292 963 S CA -0.808 56.735 58.200 -1.095 0.000 1.010 963 S CB 1.331 63.513 63.200 -1.698 0.000 0.944 963 S HN 0.722 nan 8.310 nan 0.000 0.536 964 Q N 0.894 120.385 119.800 -0.516 0.000 2.181 964 Q HA -0.223 4.117 4.340 0.001 0.000 0.205 964 Q C 2.161 178.017 176.000 -0.239 0.000 0.980 964 Q CA 1.992 57.623 55.803 -0.285 0.000 0.862 964 Q CB -0.547 28.051 28.738 -0.233 0.000 0.905 964 Q HN 0.986 nan 8.270 nan 0.000 0.429 965 Q N 0.571 120.190 119.800 -0.302 0.000 2.050 965 Q HA -0.216 4.124 4.340 0.001 0.000 0.202 965 Q C 2.132 178.030 176.000 -0.171 0.000 0.980 965 Q CA 1.595 57.281 55.803 -0.194 0.000 0.840 965 Q CB 0.000 28.627 28.738 -0.185 0.000 0.898 965 Q HN 0.420 nan 8.270 nan 0.000 0.424 966 Q N 0.033 119.705 119.800 -0.213 0.000 2.079 966 Q HA -0.149 4.192 4.340 0.001 0.000 0.200 966 Q C 2.188 178.075 176.000 -0.189 0.000 0.974 966 Q CA 1.277 56.974 55.803 -0.176 0.000 0.840 966 Q CB -0.075 28.532 28.738 -0.219 0.000 0.898 966 Q HN 0.500 nan 8.270 nan 0.000 0.430 967 L N 0.296 121.395 121.223 -0.207 0.000 2.079 967 L HA -0.207 4.134 4.340 0.001 0.000 0.210 967 L C 2.683 179.421 176.870 -0.219 0.000 1.081 967 L CA 1.301 56.010 54.840 -0.217 0.000 0.752 967 L CB -0.362 41.594 42.059 -0.171 0.000 0.896 967 L HN 0.441 nan 8.230 nan 0.000 0.433 968 M N -0.392 119.109 119.600 -0.165 0.000 2.254 968 M HA -0.147 4.333 4.480 0.001 0.000 0.265 968 M C 1.615 177.851 176.300 -0.105 0.000 1.066 968 M CA 1.636 56.857 55.300 -0.132 0.000 1.123 968 M CB 0.135 32.672 32.600 -0.106 0.000 1.388 968 M HN 0.156 nan 8.290 nan 0.000 0.425 969 E N -0.388 119.754 120.200 -0.098 0.000 2.474 969 E HA 0.072 4.422 4.350 0.001 0.000 0.194 969 E C -0.288 176.287 176.600 -0.042 0.000 1.041 969 E CA 0.107 56.475 56.400 -0.054 0.000 0.874 969 E CB 0.416 30.091 29.700 -0.041 0.000 0.914 969 E HN 0.347 nan 8.360 nan 0.000 0.498 970 T N 0.685 115.186 114.554 -0.089 0.000 2.767 970 T HA 0.097 4.447 4.350 0.001 0.000 0.284 970 T C 1.164 175.836 174.700 -0.047 0.000 0.973 970 T CA -0.395 61.659 62.100 -0.077 0.000 0.996 970 T CB 1.651 70.434 68.868 -0.142 0.000 0.927 970 T HN 0.051 nan 8.240 nan 0.000 0.456 971 S N 2.113 117.874 115.700 0.103 0.000 2.446 971 S HA 0.041 4.512 4.470 0.001 0.000 0.225 971 S C 0.314 175.056 174.600 0.237 0.000 1.016 971 S CA 0.349 58.714 58.200 0.275 0.000 0.943 971 S CB -0.236 63.211 63.200 0.412 0.000 0.786 971 S HN 0.742 nan 8.310 nan 0.000 0.508 972 H N 0.599 119.710 119.070 0.069 0.000 2.717 972 H HA 0.537 5.094 4.556 0.001 0.000 0.366 972 H C 1.038 176.346 175.328 -0.033 0.000 1.132 972 H CA -0.742 55.378 56.048 0.119 0.000 1.180 972 H CB 1.519 31.339 29.762 0.096 0.000 1.678 972 H HN 0.155 nan 8.280 nan 0.000 0.537 973 R N 1.810 122.421 120.500 0.185 0.000 2.091 973 R HA -0.185 4.155 4.340 0.001 0.000 0.238 973 R C 1.339 177.644 176.300 0.008 0.000 1.136 973 R CA 1.966 58.104 56.100 0.063 0.000 0.959 973 R CB -0.601 29.776 30.300 0.129 0.000 0.856 973 R HN 0.807 nan 8.270 nan 0.000 0.437 974 H N 1.129 120.209 119.070 0.015 0.000 2.543 974 H HA -0.011 4.545 4.556 0.001 0.000 0.286 974 H C 1.447 176.706 175.328 -0.116 0.000 1.037 974 H CA 0.938 56.959 56.048 -0.045 0.000 1.250 974 H CB -0.169 29.565 29.762 -0.048 0.000 1.373 974 H HN 0.336 nan 8.280 nan 0.000 0.580 975 L N 0.861 121.706 121.223 -0.630 0.000 2.592 975 L HA 0.215 4.555 4.340 0.001 0.000 0.227 975 L C 0.587 177.332 176.870 -0.207 0.000 1.127 975 L CA -0.151 54.396 54.840 -0.488 0.000 0.884 975 L CB 0.157 41.907 42.059 -0.515 0.000 1.065 975 L HN 0.067 nan 8.230 nan 0.000 0.457 976 L N 1.075 122.168 121.223 -0.216 0.000 2.397 976 L HA 0.162 4.503 4.340 0.001 0.000 0.271 976 L C 0.098 176.949 176.870 -0.031 0.000 1.148 976 L CA -0.198 54.487 54.840 -0.258 0.000 0.825 976 L CB 0.452 42.116 42.059 -0.659 0.000 1.117 976 L HN 0.183 nan 8.230 nan 0.000 0.456 977 H N 1.973 121.077 119.070 0.057 0.000 2.609 977 H HA 0.562 5.119 4.556 0.001 0.000 0.344 977 H C -0.669 174.785 175.328 0.210 0.000 1.040 977 H CA -1.225 54.893 56.048 0.117 0.000 1.216 977 H CB 1.220 31.003 29.762 0.035 0.000 1.529 977 H HN 0.669 nan 8.280 nan 0.000 0.519 978 A N 3.886 126.797 122.820 0.152 0.000 2.548 978 A HA 0.075 4.395 4.320 0.001 0.000 0.247 978 A C 0.390 177.983 177.584 0.016 0.000 1.067 978 A CA -0.082 51.894 52.037 -0.103 0.000 0.757 978 A CB -0.111 18.813 19.000 -0.127 0.000 0.996 978 A HN 0.855 nan 8.150 nan 0.000 0.504 979 E N 0.993 121.183 120.200 -0.017 0.000 2.322 979 E HA 0.227 4.578 4.350 0.001 0.000 0.257 979 E C 0.062 176.683 176.600 0.035 0.000 1.155 979 E CA -0.650 55.815 56.400 0.108 0.000 0.936 979 E CB 0.754 30.599 29.700 0.242 0.000 1.130 979 E HN 0.809 nan 8.360 nan 0.000 0.465 980 E N 0.170 120.389 120.200 0.033 0.000 2.398 980 E HA 0.194 4.544 4.350 0.001 0.000 0.263 980 E C 0.390 176.932 176.600 -0.098 0.000 1.046 980 E CA 0.562 56.946 56.400 -0.027 0.000 0.908 980 E CB 0.404 30.089 29.700 -0.026 0.000 0.963 980 E HN 0.661 nan 8.360 nan 0.000 0.431 981 G N 2.449 111.196 108.800 -0.088 0.000 2.641 981 G HA2 -0.247 3.713 3.960 0.001 0.000 0.254 981 G HA3 -0.247 3.713 3.960 0.001 0.000 0.254 981 G C -0.587 174.244 174.900 -0.116 0.000 1.315 981 G CA -0.033 45.002 45.100 -0.108 0.000 0.907 981 G HN 0.626 nan 8.290 nan 0.000 0.572 982 T N 0.241 114.719 114.554 -0.125 0.000 2.841 982 T HA 0.485 4.836 4.350 0.001 0.000 0.285 982 T C -0.662 173.912 174.700 -0.210 0.000 0.991 982 T CA -0.159 61.878 62.100 -0.105 0.000 0.966 982 T CB 1.301 70.191 68.868 0.037 0.000 0.962 982 T HN 0.546 nan 8.240 nan 0.000 0.438 983 W N 3.356 124.565 121.300 -0.151 0.000 2.345 983 W HA 0.559 5.219 4.660 0.001 0.000 0.308 983 W C -0.190 176.198 176.519 -0.218 0.000 1.273 983 W CA -0.647 56.603 57.345 -0.158 0.000 1.243 983 W CB 0.602 29.975 29.460 -0.144 0.000 1.260 983 W HN 0.368 nan 8.180 nan 0.000 0.509 984 L N 5.684 126.901 121.223 -0.010 0.000 2.341 984 L HA 0.519 4.859 4.340 0.001 0.000 0.278 984 L C -0.935 175.820 176.870 -0.192 0.000 1.005 984 L CA -0.455 54.255 54.840 -0.216 0.000 0.818 984 L CB 0.915 42.703 42.059 -0.452 0.000 1.259 984 L HN 0.310 nan 8.230 nan 0.000 0.418 985 N N 6.582 125.148 118.700 -0.223 0.000 2.442 985 N HA 0.494 5.235 4.740 0.001 0.000 0.274 985 N C -1.285 174.050 175.510 -0.292 0.000 1.002 985 N CA -0.181 52.735 53.050 -0.224 0.000 0.910 985 N CB 2.249 40.637 38.487 -0.164 0.000 1.244 985 N HN 0.561 nan 8.380 nan 0.000 0.492 986 I N 1.876 122.217 120.570 -0.382 0.000 2.410 986 I HA 0.242 4.412 4.170 0.001 0.000 0.286 986 I C -0.723 175.154 176.117 -0.399 0.000 1.009 986 I CA -0.674 60.346 61.300 -0.467 0.000 1.111 986 I CB 1.519 39.039 38.000 -0.800 0.000 1.262 986 I HN 0.162 nan 8.210 nan 0.000 0.443 987 D N 4.673 124.885 120.400 -0.314 0.000 2.256 987 D HA 0.277 4.918 4.640 0.001 0.000 0.246 987 D C 0.872 176.851 176.300 -0.534 0.000 1.042 987 D CA -0.324 53.434 54.000 -0.404 0.000 0.841 987 D CB 2.497 43.171 40.800 -0.211 0.000 1.223 987 D HN 0.678 nan 8.370 nan 0.000 0.470 988 G N 0.841 109.036 108.800 -1.008 0.000 2.453 988 G HA2 0.041 4.001 3.960 0.001 0.000 0.215 988 G HA3 0.041 4.001 3.960 0.001 0.000 0.215 988 G C 0.063 174.211 174.900 -1.252 0.000 1.147 988 G CA 0.438 44.823 45.100 -1.192 0.000 0.802 988 G HN 0.364 nan 8.290 nan 0.000 0.535 989 F N -1.920 117.845 119.950 -0.309 0.000 2.601 989 F HA 0.598 5.125 4.527 0.001 0.000 0.309 989 F C -0.611 175.093 175.800 -0.159 0.000 1.089 989 F CA -1.212 56.685 58.000 -0.173 0.000 0.940 989 F CB 2.090 40.941 39.000 -0.248 0.000 1.273 989 F HN 0.021 nan 8.300 nan 0.000 0.450 990 H N 1.989 121.070 119.070 0.017 0.000 2.856 990 H HA 0.500 5.057 4.556 0.001 0.000 0.355 990 H C -0.749 174.607 175.328 0.046 0.000 1.079 990 H CA -0.843 55.189 56.048 -0.027 0.000 1.240 990 H CB 1.755 31.486 29.762 -0.052 0.000 1.701 990 H HN 0.793 nan 8.280 nan 0.000 0.527 991 M N 3.485 123.048 119.600 -0.062 0.000 2.250 991 M HA 0.254 4.735 4.480 0.001 0.000 0.325 991 M C 0.490 176.903 176.300 0.189 0.000 1.084 991 M CA 0.488 55.813 55.300 0.042 0.000 1.161 991 M CB 0.328 32.857 32.600 -0.118 0.000 1.481 991 M HN 0.836 nan 8.290 nan 0.000 0.449 992 G N 2.594 111.484 108.800 0.149 0.000 2.667 992 G HA2 0.309 4.270 3.960 0.001 0.000 0.250 992 G HA3 0.309 4.270 3.960 0.001 0.000 0.250 992 G C 0.590 175.475 174.900 -0.025 0.000 1.212 992 G CA -0.374 44.753 45.100 0.046 0.000 0.874 992 G HN 0.975 nan 8.290 nan 0.000 0.561 993 I N -1.680 118.822 120.570 -0.114 0.000 3.462 993 I HA 0.409 4.580 4.170 0.001 0.000 0.290 993 I C 1.228 177.278 176.117 -0.112 0.000 1.236 993 I CA 0.473 61.667 61.300 -0.177 0.000 1.418 993 I CB -0.517 37.268 38.000 -0.359 0.000 1.102 993 I HN 0.932 nan 8.210 nan 0.000 0.441 994 G N 1.541 110.298 108.800 -0.071 0.000 2.598 994 G HA2 0.024 3.984 3.960 0.001 0.000 0.244 994 G HA3 0.024 3.984 3.960 0.001 0.000 0.244 994 G C 0.577 175.474 174.900 -0.005 0.000 1.302 994 G CA 0.152 45.247 45.100 -0.008 0.000 0.903 994 G HN 1.357 nan 8.290 nan 0.000 0.575 995 G N -2.468 106.342 108.800 0.016 0.000 2.613 995 G HA2 -0.002 3.959 3.960 0.001 0.000 0.199 995 G HA3 -0.002 3.959 3.960 0.001 0.000 0.199 995 G C 0.695 175.647 174.900 0.087 0.000 0.991 995 G CA 0.893 46.012 45.100 0.031 0.000 0.756 995 G HN 1.003 nan 8.290 nan 0.000 0.515 996 D N 1.303 121.782 120.400 0.131 0.000 2.203 996 D HA 0.076 4.716 4.640 0.001 0.000 0.199 996 D C 1.012 177.365 176.300 0.089 0.000 0.997 996 D CA 2.185 56.329 54.000 0.240 0.000 0.863 996 D CB 0.105 41.050 40.800 0.241 0.000 0.928 996 D HN 0.831 nan 8.370 nan 0.000 0.458 997 D N -3.699 116.535 120.400 -0.278 0.000 2.692 997 D HA 0.301 4.941 4.640 0.001 0.000 0.290 997 D C -0.872 174.867 176.300 -0.935 0.000 1.281 997 D CA -0.727 52.660 54.000 -1.021 0.000 0.804 997 D CB 0.754 40.582 40.800 -1.620 0.000 1.331 997 D HN -0.282 nan 8.370 nan 0.000 0.432 998 S N -0.575 114.335 115.700 -1.316 0.000 2.741 998 S HA 0.250 4.721 4.470 0.001 0.000 0.247 998 S C -0.563 174.025 174.600 -0.019 0.000 1.050 998 S CA -0.659 57.285 58.200 -0.428 0.000 1.025 998 S CB -0.478 62.626 63.200 -0.160 0.000 0.897 998 S HN 0.613 nan 8.310 nan 0.000 0.508 999 W N 1.054 122.303 121.300 -0.086 0.000 2.304 999 W HA 0.541 5.201 4.660 0.001 0.000 0.326 999 W C 0.105 176.592 176.519 -0.054 0.000 0.920 999 W CA -0.429 56.887 57.345 -0.048 0.000 1.518 999 W CB -0.405 28.981 29.460 -0.124 0.000 1.112 999 W HN 0.196 nan 8.180 nan 0.000 0.528 1000 S N -1.048 114.556 115.700 -0.160 0.000 2.570 1000 S HA 0.617 5.088 4.470 0.001 0.000 0.270 1000 S C -3.131 171.404 174.600 -0.108 0.000 1.149 1000 S CA -1.649 56.492 58.200 -0.098 0.000 0.837 1000 S CB 1.656 64.820 63.200 -0.061 0.000 1.124 1000 S HN -0.237 nan 8.310 nan 0.000 0.465 1001 P HA 0.171 nan 4.420 nan 0.000 0.261 1001 P C 0.348 177.687 177.300 0.065 0.000 1.183 1001 P CA 0.073 63.173 63.100 0.001 0.000 0.761 1001 P CB 0.621 32.208 31.700 -0.189 0.000 0.785 1002 S N 0.628 116.409 115.700 0.134 0.000 2.780 1002 S HA 0.126 4.597 4.470 0.001 0.000 0.248 1002 S C 0.200 174.887 174.600 0.146 0.000 1.036 1002 S CA -0.311 57.944 58.200 0.092 0.000 1.061 1002 S CB -0.259 62.943 63.200 0.004 0.000 1.037 1002 S HN 0.110 nan 8.310 nan 0.000 0.584 1003 V N 3.037 123.083 119.914 0.220 0.000 2.439 1003 V HA 0.334 4.454 4.120 0.001 0.000 0.271 1003 V C 0.885 177.129 176.094 0.250 0.000 1.040 1003 V CA -0.201 62.212 62.300 0.190 0.000 1.002 1003 V CB 0.689 32.572 31.823 0.100 0.000 1.000 1003 V HN 0.529 nan 8.190 nan 0.000 0.477 1004 S N 4.156 120.011 115.700 0.258 0.000 2.566 1004 S HA 0.249 4.719 4.470 0.001 0.000 0.280 1004 S C 1.571 176.318 174.600 0.245 0.000 1.343 1004 S CA 0.109 58.459 58.200 0.250 0.000 1.036 1004 S CB 1.042 64.415 63.200 0.289 0.000 0.866 1004 S HN 0.989 nan 8.310 nan 0.000 0.526 1005 A N 3.288 126.208 122.820 0.167 0.000 1.917 1005 A HA -0.142 4.179 4.320 0.001 0.000 0.219 1005 A C 1.972 179.588 177.584 0.053 0.000 1.182 1005 A CA 1.821 53.939 52.037 0.134 0.000 0.633 1005 A CB -0.681 18.377 19.000 0.096 0.000 0.819 1005 A HN 0.957 nan 8.150 nan 0.000 0.448 1006 E N -0.968 119.202 120.200 -0.050 0.000 2.515 1006 E HA -0.108 4.243 4.350 0.001 0.000 0.201 1006 E C 0.469 176.806 176.600 -0.438 0.000 1.071 1006 E CA 0.667 56.910 56.400 -0.261 0.000 0.880 1006 E CB -0.408 29.051 29.700 -0.401 0.000 0.828 1006 E HN 0.689 nan 8.360 nan 0.000 0.540 1007 F N 0.814 120.814 119.950 0.083 0.000 2.683 1007 F HA 0.290 4.818 4.527 0.001 0.000 0.306 1007 F C 0.719 176.556 175.800 0.062 0.000 1.102 1007 F CA -0.564 57.486 58.000 0.084 0.000 1.244 1007 F CB 0.714 39.765 39.000 0.084 0.000 1.029 1007 F HN -0.187 nan 8.300 nan 0.000 0.545 1008 Q N 1.242 121.144 119.800 0.169 0.000 2.230 1008 Q HA 0.430 4.771 4.340 0.001 0.000 0.253 1008 Q C -0.202 175.820 176.000 0.036 0.000 0.919 1008 Q CA -0.589 55.289 55.803 0.124 0.000 0.908 1008 Q CB 2.065 30.957 28.738 0.256 0.000 1.245 1008 Q HN 0.248 nan 8.270 nan 0.000 0.437 1009 L N 2.566 123.800 121.223 0.018 0.000 2.384 1009 L HA 0.088 4.428 4.340 0.001 0.000 0.258 1009 L C 0.668 177.507 176.870 -0.052 0.000 1.266 1009 L CA -0.001 54.835 54.840 -0.007 0.000 1.162 1009 L CB -0.413 41.539 42.059 -0.178 0.000 1.375 1009 L HN 0.683 nan 8.230 nan 0.000 0.420 1010 S N -1.119 114.463 115.700 -0.196 0.000 2.554 1010 S HA 0.143 4.614 4.470 0.001 0.000 0.226 1010 S C 1.684 176.227 174.600 -0.095 0.000 0.980 1010 S CA 0.165 58.117 58.200 -0.413 0.000 0.939 1010 S CB 0.717 63.508 63.200 -0.681 0.000 0.832 1010 S HN 0.514 nan 8.310 nan 0.000 0.486 1011 A N 1.561 124.350 122.820 -0.051 0.000 2.125 1011 A HA 0.399 4.719 4.320 0.001 0.000 0.219 1011 A C 2.152 179.598 177.584 -0.229 0.000 1.156 1011 A CA 1.350 53.204 52.037 -0.305 0.000 0.671 1011 A CB -1.342 17.154 19.000 -0.839 0.000 0.794 1011 A HN 1.489 nan 8.150 nan 0.000 0.459 1012 G N -1.385 107.402 108.800 -0.020 0.000 2.550 1012 G HA2 -0.311 3.650 3.960 0.001 0.000 0.233 1012 G HA3 -0.311 3.650 3.960 0.001 0.000 0.233 1012 G C 0.469 175.398 174.900 0.049 0.000 1.170 1012 G CA 0.508 45.640 45.100 0.053 0.000 0.693 1012 G HN 0.705 nan 8.290 nan 0.000 0.512 1013 R N -0.435 119.976 120.500 -0.148 0.000 2.532 1013 R HA 0.664 5.005 4.340 0.001 0.000 0.297 1013 R C -1.529 174.585 176.300 -0.310 0.000 0.984 1013 R CA -0.592 55.462 56.100 -0.078 0.000 0.884 1013 R CB 1.499 31.770 30.300 -0.048 0.000 1.182 1013 R HN 0.246 nan 8.270 nan 0.000 0.442 1014 Y N 0.288 120.588 120.300 0.000 0.000 2.499 1014 Y HA 0.380 4.930 4.550 0.001 0.000 0.347 1014 Y C -0.325 175.724 175.900 0.248 0.000 0.987 1014 Y CA -0.858 57.222 58.100 -0.035 0.000 1.044 1014 Y CB 2.120 40.402 38.460 -0.298 0.000 1.245 1014 Y HN 0.565 nan 8.280 nan 0.000 0.461 1015 H N 2.250 121.592 119.070 0.452 0.000 2.771 1015 H HA 0.598 5.155 4.556 0.001 0.000 0.361 1015 H C -1.831 173.846 175.328 0.582 0.000 1.108 1015 H CA -0.966 55.316 56.048 0.389 0.000 1.201 1015 H CB 1.167 31.057 29.762 0.213 0.000 1.681 1015 H HN 0.561 nan 8.280 nan 0.000 0.534 1016 Y N 1.842 121.921 120.300 -0.368 0.000 2.581 1016 Y HA 0.434 4.985 4.550 0.001 0.000 0.337 1016 Y C -1.996 173.686 175.900 -0.363 0.000 1.108 1016 Y CA -1.095 56.853 58.100 -0.253 0.000 1.033 1016 Y CB 1.323 39.726 38.460 -0.095 0.000 1.318 1016 Y HN 0.736 nan 8.280 nan 0.000 0.459 1017 Q N 3.529 123.305 119.800 -0.040 0.000 2.359 1017 Q HA 0.824 5.165 4.340 0.001 0.000 0.274 1017 Q C -2.002 174.084 176.000 0.143 0.000 1.074 1017 Q CA -1.089 54.695 55.803 -0.031 0.000 0.810 1017 Q CB 3.264 32.011 28.738 0.016 0.000 1.342 1017 Q HN 0.834 nan 8.270 nan 0.000 0.427 1018 L N 1.182 122.481 121.223 0.125 0.000 2.388 1018 L HA 0.721 5.061 4.340 0.001 0.000 0.264 1018 L C -0.910 176.081 176.870 0.202 0.000 0.998 1018 L CA -1.337 53.619 54.840 0.193 0.000 0.817 1018 L CB 2.540 44.690 42.059 0.153 0.000 1.338 1018 L HN 0.452 nan 8.230 nan 0.000 0.414 1019 V N 1.113 121.171 119.914 0.240 0.000 2.350 1019 V HA 0.341 4.461 4.120 0.001 0.000 0.285 1019 V C -1.093 175.173 176.094 0.286 0.000 1.014 1019 V CA -0.370 62.070 62.300 0.233 0.000 0.831 1019 V CB 1.772 33.703 31.823 0.180 0.000 1.000 1019 V HN 0.591 nan 8.190 nan 0.000 0.433 1020 W N 7.276 128.641 121.300 0.108 0.000 2.391 1020 W HA 0.710 5.370 4.660 0.001 0.000 0.311 1020 W C -0.282 176.244 176.519 0.011 0.000 1.087 1020 W CA -1.151 56.191 57.345 -0.006 0.000 1.209 1020 W CB 1.411 30.931 29.460 0.100 0.000 1.273 1020 W HN 0.809 nan 8.180 nan 0.000 0.482 1021 C N 3.846 123.412 119.300 0.444 0.000 3.285 1021 C HA 0.548 5.008 4.460 0.001 0.000 0.325 1021 C C -0.601 174.505 174.990 0.194 0.000 1.304 1021 C CA -1.013 58.178 59.018 0.288 0.000 1.319 1021 C CB 1.381 29.227 27.740 0.177 0.000 1.640 1021 C HN 0.729 nan 8.230 nan 0.000 0.477 1022 Q N 2.019 121.899 119.800 0.133 0.000 2.279 1022 Q HA 0.407 4.747 4.340 0.001 0.000 0.256 1022 Q C 0.155 176.158 176.000 0.004 0.000 0.937 1022 Q CA -0.103 55.718 55.803 0.030 0.000 0.933 1022 Q CB 0.821 29.547 28.738 -0.020 0.000 1.189 1022 Q HN 0.723 nan 8.270 nan 0.000 0.417 1023 K N 0.000 120.381 120.400 -0.031 0.000 2.780 1023 K HA 0.000 4.320 4.320 0.001 0.000 0.191 1023 K CA 0.000 56.274 56.287 -0.021 0.000 0.838 1023 K CB 0.000 32.478 32.500 -0.037 0.000 1.064 1023 K HN 0.000 nan 8.250 nan 0.000 0.543