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 3czj_1_C DATA FIRST_RESID 13 DATA SEQUENCE RRDWENPGVT QLNRLAAHPP FASWRNSEEA RTDRPSQQLR SLNGEWRFAW DATA SEQUENCE FPAPEAVPES WLECDLPEAD TVVVPSNWQM HGYDAPIYTN VTYPITVNPP DATA SEQUENCE FVPTENPTGC YSLTFNVDES WLQEGQTRII FDGVNSAFHL WCNGRWVGYG DATA SEQUENCE QDSRLPSEFD LSAFLRAGEN RLAVMVLRWS DGSYLEDQDM WRMSGIFRDV DATA SEQUENCE SLLHKPTTQI SDFHVATRFN DDFSRAVLEA EVQMCGELRD YLRVTVSLWQ DATA SEQUENCE GETQVASGTA PFGGEIIDER GGYADRVTLR LNVENPKLWS AEIPNLYRAV DATA SEQUENCE VELHTADGTL IEAEACDVGF REVRIENGLL LLNGKPLLIR GVNRHEHHPL DATA SEQUENCE HGQVMDEQTM VQDILLMKQN NFNAVRCSHY PNHPLWYTLC DRYGLYVVDE DATA SEQUENCE ANIETHGMVP MNRLTDDPRW LPAMSERVTR MVQRDRNHPS VIIWSLGTES DATA SEQUENCE GHGANHDALY RWIKSVDPSR PVQYEGGGAD TTATDIICPM YARVDEDQPF DATA SEQUENCE PAVPKWSIKK WLSLPGETRP LILCEYAHAM GNSLGGFAKY WQAFRQYPRL DATA SEQUENCE QGGFVWDWVD QSLIKYDENG NPWSAYGGDF GDTPNDRQFC MNGLVFADRT DATA SEQUENCE PHPALTEAKH QQQFFQFRLS GQTIEVTSEY LFRHSDNELL HWMVALDGKP DATA SEQUENCE LASGEVPLDV APQGKQLIEL PELPQPESAG QLWLTVRVVQ PNATAWSEAG DATA SEQUENCE HISAWQQWRL AENLSVTLPA ASHAIPHLTT SEMDFCIELG NKRWQFNRQS DATA SEQUENCE GFLSQMWIGD KKQLLTPLRD QFTRAPLDND IGVSEATRID PNAWVERWKA DATA SEQUENCE AGHYQAEAAL LQCTADTLAD AVLITTAHAW QHQGKTLFIS RKTYRIDGSG DATA SEQUENCE QMAITVDVEV ASDTPHPARI GLNCQLAQVA ERVNWLGLGP QENYPDRLTA DATA SEQUENCE ACFDRWDLPL SDMYTPYVFP SENGLRCGTR ELNYGPHQWR GDFQFNISRY DATA SEQUENCE SQQQLMETSH RHLLHAEEGT WLNIDGFHMG IGGDDSWSPS VSAEFQLSAG DATA SEQUENCE RYHYQLVWCQ K VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 13 R HA 0.000 nan 4.340 nan 0.000 0.208 13 R C 0.000 176.105 176.300 -0.325 0.000 0.893 13 R CA 0.000 55.968 56.100 -0.220 0.000 0.921 13 R CB 0.000 30.174 30.300 -0.210 0.000 0.687 14 R N 1.855 122.062 120.500 -0.488 0.000 3.701 14 R HA 0.127 4.482 4.340 0.026 0.000 0.210 14 R C 0.275 176.052 176.300 -0.871 0.000 1.598 14 R CA -0.349 55.103 56.100 -1.080 0.000 1.427 14 R CB 0.254 29.944 30.300 -1.016 0.000 1.339 14 R HN 0.412 nan 8.270 nan 0.000 0.720 15 D N 1.159 121.236 120.400 -0.537 0.000 2.271 15 D HA -0.203 4.453 4.640 0.026 0.000 0.207 15 D C 1.298 177.495 176.300 -0.172 0.000 0.983 15 D CA 1.208 54.965 54.000 -0.405 0.000 0.878 15 D CB 0.106 40.469 40.800 -0.728 0.000 0.920 15 D HN 0.665 nan 8.370 nan 0.000 0.479 16 W N 1.235 122.544 121.300 0.015 0.000 3.292 16 W HA 0.211 4.887 4.660 0.026 0.000 0.263 16 W C 0.532 177.145 176.519 0.156 0.000 1.318 16 W CA -0.259 57.203 57.345 0.195 0.000 1.663 16 W CB -0.201 29.421 29.460 0.270 0.000 1.114 16 W HN -0.192 nan 8.180 nan 0.000 0.706 17 E N 1.048 121.119 120.200 -0.214 0.000 3.105 17 E HA 0.041 4.407 4.350 0.026 0.000 0.198 17 E C -0.663 175.791 176.600 -0.243 0.000 0.976 17 E CA -0.185 56.120 56.400 -0.159 0.000 1.219 17 E CB -0.137 29.455 29.700 -0.179 0.000 1.081 17 E HN 0.026 nan 8.360 nan 0.000 0.464 18 N N 1.367 119.951 118.700 -0.193 0.000 2.581 18 N HA 0.128 4.884 4.740 0.026 0.000 0.279 18 N C -2.242 173.120 175.510 -0.246 0.000 1.124 18 N CA -1.960 50.941 53.050 -0.249 0.000 0.833 18 N CB 1.609 39.962 38.487 -0.224 0.000 1.338 18 N HN -0.162 nan 8.380 nan 0.000 0.533 19 P HA 0.035 nan 4.420 nan 0.000 0.234 19 P C 1.005 178.067 177.300 -0.397 0.000 1.167 19 P CA 0.545 63.301 63.100 -0.573 0.000 0.763 19 P CB 0.198 31.026 31.700 -1.454 0.000 0.835 20 G N -0.094 108.517 108.800 -0.314 0.000 2.551 20 G HA2 0.026 4.002 3.960 0.026 0.000 0.216 20 G HA3 0.026 4.002 3.960 0.026 0.000 0.216 20 G C 0.458 175.282 174.900 -0.128 0.000 1.137 20 G CA 0.165 45.135 45.100 -0.216 0.000 0.798 20 G HN 0.209 nan 8.290 nan 0.000 0.536 21 V N 1.908 121.763 119.914 -0.099 0.000 2.293 21 V HA 0.302 4.438 4.120 0.026 0.000 0.275 21 V C 0.892 177.042 176.094 0.094 0.000 1.021 21 V CA 0.210 62.502 62.300 -0.013 0.000 0.815 21 V CB 1.079 32.872 31.823 -0.050 0.000 1.025 21 V HN 0.337 nan 8.190 nan 0.000 0.448 22 T N 0.645 115.252 114.554 0.087 0.000 3.054 22 T HA 0.397 4.763 4.350 0.026 0.000 0.255 22 T C 0.226 174.977 174.700 0.085 0.000 1.035 22 T CA 0.020 62.179 62.100 0.099 0.000 0.941 22 T CB 0.264 69.146 68.868 0.023 0.000 1.026 22 T HN 0.703 nan 8.240 nan 0.000 0.533 23 Q N 0.245 120.145 119.800 0.165 0.000 2.848 23 Q HA 0.630 4.986 4.340 0.026 0.000 0.288 23 Q C -2.394 173.738 176.000 0.220 0.000 0.907 23 Q CA -1.037 54.855 55.803 0.150 0.000 0.792 23 Q CB 0.578 29.323 28.738 0.012 0.000 1.534 23 Q HN 0.219 nan 8.270 nan 0.000 0.419 24 L N 1.698 123.066 121.223 0.242 0.000 2.516 24 L HA 0.585 4.941 4.340 0.026 0.000 0.267 24 L C -0.695 176.284 176.870 0.182 0.000 0.957 24 L CA -0.878 54.105 54.840 0.239 0.000 0.860 24 L CB 1.933 44.233 42.059 0.401 0.000 1.265 24 L HN 0.862 nan 8.230 nan 0.000 0.403 25 N N 1.029 119.811 118.700 0.137 0.000 2.741 25 N HA -0.203 4.553 4.740 0.026 0.000 0.251 25 N C 0.156 175.753 175.510 0.144 0.000 1.112 25 N CA 0.824 53.945 53.050 0.119 0.000 0.750 25 N CB -0.738 37.776 38.487 0.044 0.000 1.119 25 N HN 0.661 nan 8.380 nan 0.000 0.561 26 R N 0.913 121.426 120.500 0.023 0.000 2.390 26 R HA 0.399 4.755 4.340 0.026 0.000 0.291 26 R C 0.536 176.711 176.300 -0.209 0.000 1.070 26 R CA -0.389 55.527 56.100 -0.306 0.000 1.014 26 R CB 0.569 30.674 30.300 -0.325 0.000 1.007 26 R HN 0.122 nan 8.270 nan 0.000 0.466 27 L N 3.101 124.165 121.223 -0.264 0.000 2.464 27 L HA 0.283 4.639 4.340 0.026 0.000 0.264 27 L C 0.691 177.503 176.870 -0.096 0.000 1.199 27 L CA -0.534 54.238 54.840 -0.114 0.000 0.818 27 L CB 0.802 42.822 42.059 -0.066 0.000 1.102 27 L HN 0.780 nan 8.230 nan 0.000 0.473 28 A N 1.577 124.382 122.820 -0.025 0.000 2.483 28 A HA 0.474 4.810 4.320 0.026 0.000 0.238 28 A C 0.344 177.912 177.584 -0.027 0.000 1.070 28 A CA 0.032 52.058 52.037 -0.017 0.000 0.770 28 A CB 0.192 19.208 19.000 0.026 0.000 1.008 28 A HN 0.809 nan 8.150 nan 0.000 0.497 29 A N 1.295 124.057 122.820 -0.097 0.000 2.332 29 A HA 0.676 5.012 4.320 0.026 0.000 0.258 29 A C 0.123 177.595 177.584 -0.187 0.000 1.087 29 A CA 0.526 52.428 52.037 -0.225 0.000 0.802 29 A CB -0.057 18.823 19.000 -0.200 0.000 1.042 29 A HN 1.960 nan 8.150 nan 0.000 0.489 30 H N -2.587 116.328 119.070 -0.258 0.000 2.917 30 H HA 0.625 5.197 4.556 0.026 0.000 0.299 30 H C -3.452 171.578 175.328 -0.497 0.000 1.418 30 H CA -1.817 54.004 56.048 -0.379 0.000 1.138 30 H CB -0.049 29.379 29.762 -0.556 0.000 1.830 30 H HN 0.366 nan 8.280 nan 0.000 0.514 31 P HA 0.212 nan 4.420 nan 0.000 0.272 31 P C -2.580 174.554 177.300 -0.276 0.000 1.240 31 P CA -1.271 61.613 63.100 -0.360 0.000 0.791 31 P CB -0.094 31.281 31.700 -0.542 0.000 0.978 32 P HA -0.014 nan 4.420 nan 0.000 0.258 32 P C -0.875 176.606 177.300 0.302 0.000 1.172 32 P CA 1.131 64.274 63.100 0.072 0.000 0.762 32 P CB -0.133 31.651 31.700 0.140 0.000 0.764 33 F N 2.082 122.129 119.950 0.162 0.000 2.507 33 F HA 0.631 5.173 4.527 0.026 0.000 0.327 33 F C 0.993 176.723 175.800 -0.117 0.000 1.068 33 F CA -1.417 56.614 58.000 0.052 0.000 0.965 33 F CB 1.360 40.335 39.000 -0.041 0.000 1.192 33 F HN 0.297 nan 8.300 nan 0.000 0.476 34 A N 0.157 122.898 122.820 -0.132 0.000 2.664 34 A HA 0.310 4.646 4.320 0.026 0.000 0.222 34 A C 0.650 177.919 177.584 -0.526 0.000 1.320 34 A CA 0.609 52.326 52.037 -0.534 0.000 1.029 34 A CB -0.350 17.841 19.000 -1.347 0.000 1.318 34 A HN 0.849 nan 8.150 nan 0.000 0.589 35 S N 0.542 116.047 115.700 -0.325 0.000 3.524 35 S HA -0.151 4.334 4.470 0.026 0.000 0.377 35 S C -0.018 174.505 174.600 -0.130 0.000 0.949 35 S CA 0.433 58.508 58.200 -0.209 0.000 1.264 35 S CB -1.584 61.499 63.200 -0.195 0.000 0.918 35 S HN 0.458 nan 8.310 nan 0.000 0.517 36 W N 1.822 123.100 121.300 -0.037 0.000 2.158 36 W HA 0.226 4.901 4.660 0.026 0.000 0.339 36 W C 1.325 177.820 176.519 -0.039 0.000 1.294 36 W CA -0.523 56.806 57.345 -0.027 0.000 1.231 36 W CB 0.240 29.683 29.460 -0.027 0.000 1.143 36 W HN 0.347 nan 8.180 nan 0.000 0.571 37 R N 2.023 122.644 120.500 0.201 0.000 2.546 37 R HA 0.080 4.436 4.340 0.026 0.000 0.320 37 R C -0.093 176.259 176.300 0.087 0.000 1.021 37 R CA -0.125 56.035 56.100 0.101 0.000 1.088 37 R CB -0.239 30.091 30.300 0.050 0.000 1.278 37 R HN 0.362 nan 8.270 nan 0.000 0.557 38 N N 0.101 118.868 118.700 0.113 0.000 2.549 38 N HA 0.094 4.850 4.740 0.026 0.000 0.290 38 N C -0.106 175.374 175.510 -0.050 0.000 1.122 38 N CA 0.030 53.097 53.050 0.028 0.000 0.885 38 N CB 1.648 40.152 38.487 0.028 0.000 1.455 38 N HN -0.253 nan 8.380 nan 0.000 0.521 39 S N 2.243 117.894 115.700 -0.083 0.000 2.383 39 S HA -0.185 4.300 4.470 0.026 0.000 0.229 39 S C 1.424 175.852 174.600 -0.287 0.000 1.030 39 S CA 1.309 59.414 58.200 -0.160 0.000 1.002 39 S CB -0.005 63.129 63.200 -0.110 0.000 0.829 39 S HN 0.733 nan 8.310 nan 0.000 0.467 40 E N 1.623 121.676 120.200 -0.245 0.000 2.077 40 E HA -0.150 4.215 4.350 0.026 0.000 0.193 40 E C 1.914 178.296 176.600 -0.363 0.000 0.989 40 E CA 1.233 57.453 56.400 -0.300 0.000 0.800 40 E CB -0.220 29.361 29.700 -0.198 0.000 0.746 40 E HN 0.305 nan 8.360 nan 0.000 0.452 41 E N 0.098 120.101 120.200 -0.330 0.000 2.110 41 E HA -0.138 4.228 4.350 0.026 0.000 0.193 41 E C 1.951 177.953 176.600 -0.997 0.000 0.988 41 E CA 1.157 57.315 56.400 -0.403 0.000 0.804 41 E CB -0.489 29.140 29.700 -0.118 0.000 0.745 41 E HN 0.384 nan 8.360 nan 0.000 0.458 42 A N 1.327 123.371 122.820 -1.294 0.000 1.929 42 A HA -0.147 4.188 4.320 0.026 0.000 0.216 42 A C 2.225 179.196 177.584 -1.022 0.000 1.176 42 A CA 1.422 52.347 52.037 -1.855 0.000 0.628 42 A CB -0.411 18.022 19.000 -0.945 0.000 0.816 42 A HN 0.127 nan 8.150 nan 0.000 0.444 43 R N -0.035 120.050 120.500 -0.691 0.000 2.073 43 R HA -0.129 4.227 4.340 0.026 0.000 0.234 43 R C 1.986 178.016 176.300 -0.449 0.000 1.134 43 R CA 2.079 57.828 56.100 -0.586 0.000 0.952 43 R CB -0.464 29.367 30.300 -0.782 0.000 0.850 43 R HN 0.599 nan 8.270 nan 0.000 0.433 44 T N -2.444 111.863 114.554 -0.411 0.000 3.129 44 T HA 0.017 4.383 4.350 0.026 0.000 0.251 44 T C 0.336 174.931 174.700 -0.174 0.000 1.117 44 T CA 0.592 62.541 62.100 -0.251 0.000 1.034 44 T CB -0.041 68.708 68.868 -0.197 0.000 0.968 44 T HN 0.415 nan 8.240 nan 0.000 0.526 45 D N 0.807 121.048 120.400 -0.266 0.000 2.837 45 D HA -0.178 4.478 4.640 0.026 0.000 0.230 45 D C 0.103 176.503 176.300 0.166 0.000 1.152 45 D CA 0.486 54.468 54.000 -0.030 0.000 0.736 45 D CB -1.068 39.779 40.800 0.077 0.000 1.084 45 D HN 0.594 nan 8.370 nan 0.000 0.429 46 R N -0.105 120.455 120.500 0.099 0.000 2.649 46 R HA 0.460 4.816 4.340 0.026 0.000 0.270 46 R C -2.016 174.529 176.300 0.408 0.000 1.105 46 R CA -1.315 54.898 56.100 0.188 0.000 1.193 46 R CB 0.058 30.412 30.300 0.090 0.000 1.120 46 R HN 0.096 nan 8.270 nan 0.000 0.561 47 P HA -0.070 nan 4.420 nan 0.000 0.269 47 P C -0.792 176.686 177.300 0.298 0.000 1.211 47 P CA 0.313 63.560 63.100 0.246 0.000 0.781 47 P CB 0.582 32.374 31.700 0.154 0.000 0.877 48 S N 0.593 116.344 115.700 0.084 0.000 2.473 48 S HA 0.141 4.627 4.470 0.026 0.000 0.307 48 S C 0.841 175.457 174.600 0.027 0.000 1.094 48 S CA -0.585 57.583 58.200 -0.054 0.000 1.070 48 S CB 0.556 63.397 63.200 -0.599 0.000 1.019 48 S HN 0.218 nan 8.310 nan 0.000 0.480 49 Q N 2.774 122.624 119.800 0.085 0.000 2.364 49 Q HA -0.050 4.305 4.340 0.026 0.000 0.207 49 Q C 0.791 176.916 176.000 0.208 0.000 0.970 49 Q CA 1.147 57.035 55.803 0.143 0.000 0.888 49 Q CB -0.149 28.671 28.738 0.136 0.000 0.951 49 Q HN 0.679 nan 8.270 nan 0.000 0.469 50 Q N -0.241 119.589 119.800 0.050 0.000 2.360 50 Q HA 0.152 4.508 4.340 0.026 0.000 0.202 50 Q C -0.305 175.718 176.000 0.038 0.000 0.915 50 Q CA 0.093 55.858 55.803 -0.063 0.000 0.943 50 Q CB 0.521 29.134 28.738 -0.209 0.000 1.064 50 Q HN 0.058 nan 8.270 nan 0.000 0.511 51 L N 0.903 122.182 121.223 0.092 0.000 2.353 51 L HA 0.432 4.787 4.340 0.026 0.000 0.270 51 L C -1.168 175.797 176.870 0.157 0.000 1.003 51 L CA -0.367 54.532 54.840 0.098 0.000 0.862 51 L CB 0.911 42.942 42.059 -0.047 0.000 1.221 51 L HN -0.110 nan 8.230 nan 0.000 0.430 52 R N 2.376 123.014 120.500 0.229 0.000 2.474 52 R HA 0.576 4.931 4.340 0.026 0.000 0.295 52 R C -0.445 175.889 176.300 0.058 0.000 0.980 52 R CA -0.637 55.539 56.100 0.127 0.000 0.934 52 R CB 1.907 32.250 30.300 0.071 0.000 1.101 52 R HN 0.643 nan 8.270 nan 0.000 0.469 53 S N 2.382 118.104 115.700 0.035 0.000 2.508 53 S HA 0.277 4.763 4.470 0.026 0.000 0.284 53 S C 0.638 175.244 174.600 0.009 0.000 1.192 53 S CA -0.673 57.539 58.200 0.020 0.000 1.070 53 S CB 0.564 63.786 63.200 0.036 0.000 1.004 53 S HN 0.570 nan 8.310 nan 0.000 0.493 54 L N 3.542 124.769 121.223 0.007 0.000 2.769 54 L HA 0.287 4.643 4.340 0.026 0.000 0.240 54 L C 0.185 177.206 176.870 0.253 0.000 1.163 54 L CA -0.357 54.505 54.840 0.036 0.000 0.962 54 L CB -0.309 41.707 42.059 -0.072 0.000 1.258 54 L HN 0.527 nan 8.230 nan 0.000 0.513 55 N N 1.324 120.123 118.700 0.166 0.000 2.453 55 N HA 0.437 5.193 4.740 0.026 0.000 0.253 55 N C 0.666 176.310 175.510 0.225 0.000 1.252 55 N CA 1.033 54.188 53.050 0.175 0.000 0.917 55 N CB 1.157 39.679 38.487 0.058 0.000 1.117 55 N HN 0.294 nan 8.380 nan 0.000 0.442 56 G N 0.305 109.254 108.800 0.248 0.000 2.247 56 G HA2 -0.079 3.897 3.960 0.026 0.000 0.229 56 G HA3 -0.079 3.897 3.960 0.026 0.000 0.229 56 G C -1.580 173.528 174.900 0.347 0.000 1.345 56 G CA -0.803 44.435 45.100 0.231 0.000 1.100 56 G HN 0.465 nan 8.290 nan 0.000 0.473 57 E N 0.126 120.498 120.200 0.287 0.000 2.223 57 E HA 0.446 4.812 4.350 0.026 0.000 0.282 57 E C -0.945 175.899 176.600 0.407 0.000 1.046 57 E CA -0.088 56.490 56.400 0.297 0.000 0.857 57 E CB 0.996 30.794 29.700 0.164 0.000 1.055 57 E HN 0.348 nan 8.360 nan 0.000 0.409 58 W N 1.622 123.006 121.300 0.139 0.000 2.894 58 W HA 0.404 5.079 4.660 0.026 0.000 0.345 58 W C 0.212 176.851 176.519 0.201 0.000 1.152 58 W CA -0.746 56.713 57.345 0.189 0.000 1.089 58 W CB 0.764 30.391 29.460 0.277 0.000 1.454 58 W HN 0.176 nan 8.180 nan 0.000 0.589 59 R N 1.358 122.143 120.500 0.474 0.000 2.474 59 R HA 0.599 4.954 4.340 0.026 0.000 0.295 59 R C -1.521 175.028 176.300 0.415 0.000 0.980 59 R CA -0.915 55.395 56.100 0.350 0.000 0.934 59 R CB 1.258 31.712 30.300 0.256 0.000 1.101 59 R HN 0.477 nan 8.270 nan 0.000 0.469 60 F N 0.378 120.369 119.950 0.069 0.000 2.596 60 F HA 0.623 5.165 4.527 0.026 0.000 0.311 60 F C -1.564 174.084 175.800 -0.254 0.000 1.116 60 F CA -0.583 57.317 58.000 -0.167 0.000 0.957 60 F CB 1.982 40.765 39.000 -0.362 0.000 1.250 60 F HN 0.609 nan 8.300 nan 0.000 0.444 61 A N 4.557 126.601 122.820 -1.294 0.000 2.422 61 A HA 0.566 4.901 4.320 0.026 0.000 0.302 61 A C -2.375 174.277 177.584 -1.554 0.000 1.041 61 A CA -0.511 50.878 52.037 -1.080 0.000 0.708 61 A CB 0.714 19.374 19.000 -0.567 0.000 1.257 61 A HN 0.934 nan 8.150 nan 0.000 0.414 62 W N 2.773 123.223 121.300 -1.416 0.000 2.417 62 W HA 0.739 5.415 4.660 0.026 0.000 0.317 62 W C -1.718 174.165 176.519 -1.059 0.000 1.121 62 W CA -0.237 56.422 57.345 -1.143 0.000 1.208 62 W CB 0.959 29.997 29.460 -0.703 0.000 1.253 62 W HN 0.496 nan 8.180 nan 0.000 0.533 63 F N 6.211 125.369 119.950 -1.320 0.000 2.588 63 F HA 0.361 4.904 4.527 0.026 0.000 0.314 63 F C -1.230 173.569 175.800 -1.669 0.000 1.069 63 F CA -2.151 55.197 58.000 -1.085 0.000 0.931 63 F CB 1.986 40.555 39.000 -0.719 0.000 1.260 63 F HN 0.222 nan 8.300 nan 0.000 0.465 64 P HA 0.116 nan 4.420 nan 0.000 0.229 64 P C -0.350 176.808 177.300 -0.236 0.000 1.160 64 P CA 0.841 63.664 63.100 -0.462 0.000 0.777 64 P CB 0.809 32.517 31.700 0.014 0.000 0.814 65 A N -0.196 122.482 122.820 -0.237 0.000 2.599 65 A HA 0.477 4.812 4.320 0.026 0.000 0.294 65 A C -2.456 174.999 177.584 -0.215 0.000 1.055 65 A CA -0.937 51.010 52.037 -0.150 0.000 0.683 65 A CB 0.381 19.363 19.000 -0.029 0.000 1.278 65 A HN -0.276 nan 8.150 nan 0.000 0.412 66 P HA -0.147 nan 4.420 nan 0.000 0.219 66 P C 0.624 177.805 177.300 -0.197 0.000 1.146 66 P CA 1.509 64.451 63.100 -0.262 0.000 0.808 66 P CB 0.284 31.790 31.700 -0.324 0.000 0.779 67 E N 0.062 120.202 120.200 -0.100 0.000 2.347 67 E HA 0.013 4.379 4.350 0.026 0.000 0.196 67 E C 2.072 178.588 176.600 -0.140 0.000 1.008 67 E CA 0.911 57.268 56.400 -0.072 0.000 0.852 67 E CB -0.622 29.079 29.700 0.001 0.000 0.783 67 E HN 0.250 nan 8.360 nan 0.000 0.505 68 A N 0.394 123.093 122.820 -0.202 0.000 2.218 68 A HA 0.080 4.416 4.320 0.026 0.000 0.209 68 A C 0.787 178.042 177.584 -0.549 0.000 1.168 68 A CA -0.088 51.821 52.037 -0.212 0.000 0.804 68 A CB 0.282 19.255 19.000 -0.045 0.000 0.834 68 A HN 0.042 nan 8.150 nan 0.000 0.482 69 V N 3.550 122.995 119.914 -0.782 0.000 2.470 69 V HA 0.171 4.307 4.120 0.026 0.000 0.276 69 V C -1.925 173.818 176.094 -0.584 0.000 1.040 69 V CA -1.369 60.247 62.300 -1.140 0.000 1.008 69 V CB 0.598 31.835 31.823 -0.977 0.000 0.990 69 V HN 0.382 nan 8.190 nan 0.000 0.477 70 P HA 0.186 nan 4.420 nan 0.000 0.276 70 P C 0.497 177.734 177.300 -0.104 0.000 1.230 70 P CA -0.297 62.690 63.100 -0.189 0.000 0.776 70 P CB 1.133 32.780 31.700 -0.087 0.000 0.888 71 E N 1.611 121.763 120.200 -0.080 0.000 2.160 71 E HA -0.147 4.219 4.350 0.026 0.000 0.195 71 E C 1.849 178.421 176.600 -0.048 0.000 0.991 71 E CA 1.670 58.029 56.400 -0.069 0.000 0.810 71 E CB -0.729 28.938 29.700 -0.056 0.000 0.742 71 E HN 0.630 nan 8.360 nan 0.000 0.466 72 S N 0.333 116.023 115.700 -0.016 0.000 2.419 72 S HA -0.199 4.287 4.470 0.026 0.000 0.235 72 S C 1.772 176.381 174.600 0.015 0.000 1.019 72 S CA 0.935 59.133 58.200 -0.004 0.000 0.982 72 S CB -0.762 62.448 63.200 0.016 0.000 0.789 72 S HN 0.481 nan 8.310 nan 0.000 0.490 73 W N 2.405 123.611 121.300 -0.156 0.000 2.364 73 W HA 0.047 4.723 4.660 0.026 0.000 0.281 73 W C 1.611 178.016 176.519 -0.189 0.000 1.219 73 W CA 0.898 58.148 57.345 -0.157 0.000 1.220 73 W CB -0.357 28.979 29.460 -0.206 0.000 1.127 73 W HN 0.280 nan 8.180 nan 0.000 0.556 74 L N 0.076 121.071 121.223 -0.380 0.000 2.131 74 L HA -0.142 4.213 4.340 0.026 0.000 0.210 74 L C 1.763 178.397 176.870 -0.393 0.000 1.092 74 L CA 1.587 56.058 54.840 -0.614 0.000 0.759 74 L CB -0.613 41.130 42.059 -0.527 0.000 0.903 74 L HN 0.029 nan 8.230 nan 0.000 0.435 75 E N -2.183 117.876 120.200 -0.236 0.000 2.562 75 E HA 0.120 4.486 4.350 0.026 0.000 0.214 75 E C -0.304 176.228 176.600 -0.113 0.000 0.979 75 E CA -0.202 56.112 56.400 -0.143 0.000 1.002 75 E CB 1.136 30.788 29.700 -0.079 0.000 1.048 75 E HN 0.270 nan 8.360 nan 0.000 0.488 76 C N 1.130 120.358 119.300 -0.120 0.000 2.782 76 C HA 0.255 4.730 4.460 0.026 0.000 0.328 76 C C -0.989 173.985 174.990 -0.026 0.000 1.145 76 C CA -0.992 57.991 59.018 -0.058 0.000 1.358 76 C CB 1.053 28.780 27.740 -0.022 0.000 1.841 76 C HN 0.298 nan 8.230 nan 0.000 0.477 77 D N 3.009 123.409 120.400 0.000 0.000 2.472 77 D HA 0.211 4.867 4.640 0.026 0.000 0.237 77 D C -0.283 176.082 176.300 0.109 0.000 1.141 77 D CA 0.489 54.527 54.000 0.064 0.000 0.875 77 D CB 0.646 41.479 40.800 0.055 0.000 1.192 77 D HN 0.590 nan 8.370 nan 0.000 0.450 78 L N 5.819 127.152 121.223 0.184 0.000 2.281 78 L HA 0.223 4.578 4.340 0.026 0.000 0.285 78 L C -1.361 175.565 176.870 0.093 0.000 1.074 78 L CA -1.619 53.313 54.840 0.153 0.000 0.817 78 L CB 1.287 43.461 42.059 0.191 0.000 1.168 78 L HN 0.501 nan 8.230 nan 0.000 0.434 79 P HA -0.217 nan 4.420 nan 0.000 0.217 79 P C 1.109 178.431 177.300 0.037 0.000 1.148 79 P CA 1.026 64.154 63.100 0.046 0.000 0.828 79 P CB 0.142 31.864 31.700 0.036 0.000 0.783 80 E N -0.419 119.797 120.200 0.028 0.000 2.427 80 E HA 0.026 4.391 4.350 0.026 0.000 0.196 80 E C 0.781 177.378 176.600 -0.005 0.000 1.028 80 E CA 0.168 56.570 56.400 0.003 0.000 0.864 80 E CB -0.704 28.983 29.700 -0.023 0.000 0.813 80 E HN 0.062 nan 8.360 nan 0.000 0.514 81 A N 1.452 124.279 122.820 0.011 0.000 2.386 81 A HA 0.140 4.476 4.320 0.026 0.000 0.246 81 A C -0.118 177.508 177.584 0.071 0.000 1.089 81 A CA -0.061 51.982 52.037 0.011 0.000 0.790 81 A CB 0.292 19.327 19.000 0.058 0.000 1.042 81 A HN 0.105 nan 8.150 nan 0.000 0.497 82 D N -0.267 120.207 120.400 0.123 0.000 2.299 82 D HA 0.468 5.123 4.640 0.026 0.000 0.243 82 D C -0.762 175.646 176.300 0.180 0.000 0.982 82 D CA -0.039 54.057 54.000 0.160 0.000 0.924 82 D CB 1.532 42.476 40.800 0.241 0.000 1.238 82 D HN 0.382 nan 8.370 nan 0.000 0.484 83 T N 0.753 115.392 114.554 0.141 0.000 2.733 83 T HA 0.456 4.822 4.350 0.026 0.000 0.294 83 T C 0.233 175.008 174.700 0.126 0.000 0.956 83 T CA -0.526 61.664 62.100 0.149 0.000 0.987 83 T CB 0.453 69.386 68.868 0.109 0.000 0.920 83 T HN 0.260 nan 8.240 nan 0.000 0.470 84 V N 1.510 121.527 119.914 0.171 0.000 3.074 84 V HA 0.799 4.934 4.120 0.026 0.000 0.314 84 V C -0.213 175.976 176.094 0.159 0.000 1.117 84 V CA -1.067 61.286 62.300 0.089 0.000 1.014 84 V CB 1.678 33.540 31.823 0.065 0.000 1.057 84 V HN 0.475 nan 8.190 nan 0.000 0.438 85 V N 1.958 121.939 119.914 0.113 0.000 2.649 85 V HA 0.556 4.691 4.120 0.026 0.000 0.292 85 V C 0.029 176.185 176.094 0.102 0.000 1.055 85 V CA -0.093 62.281 62.300 0.122 0.000 1.023 85 V CB 1.300 33.161 31.823 0.062 0.000 0.992 85 V HN 0.757 nan 8.190 nan 0.000 0.480 86 V N 6.478 126.382 119.914 -0.017 0.000 2.709 86 V HA 0.454 4.590 4.120 0.026 0.000 0.308 86 V C -2.286 173.693 176.094 -0.193 0.000 1.062 86 V CA -1.673 60.481 62.300 -0.243 0.000 0.901 86 V CB 2.665 33.985 31.823 -0.839 0.000 1.003 86 V HN 0.766 nan 8.190 nan 0.000 0.425 87 P HA 0.344 nan 4.420 nan 0.000 0.272 87 P C -0.676 176.540 177.300 -0.139 0.000 1.223 87 P CA 0.146 63.119 63.100 -0.212 0.000 0.784 87 P CB 1.351 32.937 31.700 -0.190 0.000 0.923 88 S N 0.245 115.874 115.700 -0.118 0.000 2.633 88 S HA 0.316 4.802 4.470 0.026 0.000 0.271 88 S C -1.408 173.105 174.600 -0.144 0.000 1.112 88 S CA -1.081 57.030 58.200 -0.148 0.000 0.828 88 S CB 0.064 63.156 63.200 -0.179 0.000 1.086 88 S HN 0.422 nan 8.310 nan 0.000 0.461 89 N N 1.016 119.562 118.700 -0.256 0.000 2.408 89 N HA 0.464 5.220 4.740 0.026 0.000 0.280 89 N C 0.526 175.854 175.510 -0.305 0.000 1.002 89 N CA -0.786 52.094 53.050 -0.283 0.000 0.907 89 N CB 0.679 38.971 38.487 -0.327 0.000 1.161 89 N HN 0.851 nan 8.380 nan 0.000 0.488 90 W N 2.238 123.399 121.300 -0.231 0.000 2.468 90 W HA -0.031 4.645 4.660 0.027 0.000 0.262 90 W C 0.928 177.428 176.519 -0.031 0.000 1.241 90 W CA 0.554 57.782 57.345 -0.194 0.000 1.232 90 W CB -0.351 28.998 29.460 -0.184 0.000 1.124 90 W HN 0.503 nan 8.180 nan 0.000 0.597 91 Q N 0.581 120.376 119.800 -0.008 0.000 2.119 91 Q HA -0.099 4.257 4.340 0.026 0.000 0.201 91 Q C 2.203 178.150 176.000 -0.087 0.000 0.972 91 Q CA 1.791 57.580 55.803 -0.023 0.000 0.847 91 Q CB -0.617 27.985 28.738 -0.228 0.000 0.903 91 Q HN 0.252 nan 8.270 nan 0.000 0.433 92 M N -0.259 119.235 119.600 -0.177 0.000 2.549 92 M HA -0.071 4.424 4.480 0.026 0.000 0.260 92 M C 0.634 176.956 176.300 0.036 0.000 1.076 92 M CA 1.230 56.446 55.300 -0.140 0.000 1.090 92 M CB -0.425 32.056 32.600 -0.198 0.000 1.418 92 M HN 0.225 nan 8.290 nan 0.000 0.486 93 H N -0.487 118.591 119.070 0.012 0.000 2.551 93 H HA 0.365 4.937 4.556 0.026 0.000 0.271 93 H C 1.529 176.731 175.328 -0.210 0.000 0.984 93 H CA 0.377 56.402 56.048 -0.038 0.000 1.164 93 H CB 0.058 29.883 29.762 0.105 0.000 1.437 93 H HN 0.489 nan 8.280 nan 0.000 0.550 94 G N 0.392 109.186 108.800 -0.010 0.000 2.136 94 G HA2 -0.356 3.619 3.960 0.026 0.000 0.242 94 G HA3 -0.356 3.619 3.960 0.026 0.000 0.242 94 G C 0.634 175.399 174.900 -0.224 0.000 0.989 94 G CA 0.426 45.458 45.100 -0.112 0.000 0.682 94 G HN 0.419 nan 8.290 nan 0.000 0.522 95 Y N 1.460 121.765 120.300 0.007 0.000 2.314 95 Y HA 0.273 4.838 4.550 0.026 0.000 0.293 95 Y C 1.626 177.249 175.900 -0.463 0.000 1.129 95 Y CA 1.604 59.578 58.100 -0.210 0.000 1.201 95 Y CB 0.261 38.660 38.460 -0.100 0.000 0.999 95 Y HN 0.671 nan 8.280 nan 0.000 0.541 96 D N -2.222 118.186 120.400 0.014 0.000 2.665 96 D HA 0.479 5.135 4.640 0.026 0.000 0.287 96 D C -1.176 175.189 176.300 0.109 0.000 1.266 96 D CA -0.824 53.177 54.000 0.002 0.000 0.830 96 D CB 0.686 41.574 40.800 0.146 0.000 1.356 96 D HN -0.049 nan 8.370 nan 0.000 0.437 97 A N 0.121 123.016 122.820 0.124 0.000 2.327 97 A HA 0.665 5.001 4.320 0.026 0.000 0.283 97 A C -2.272 175.348 177.584 0.060 0.000 1.127 97 A CA -1.127 50.977 52.037 0.113 0.000 0.810 97 A CB 0.072 19.195 19.000 0.206 0.000 1.066 97 A HN 0.537 nan 8.150 nan 0.000 0.492 98 P HA 0.361 nan 4.420 nan 0.000 0.285 98 P C -0.939 176.538 177.300 0.295 0.000 1.259 98 P CA -0.133 62.910 63.100 -0.095 0.000 0.794 98 P CB 1.134 32.477 31.700 -0.594 0.000 0.940 99 I N 4.101 124.916 120.570 0.408 0.000 2.354 99 I HA 0.211 4.397 4.170 0.026 0.000 0.292 99 I C -0.217 176.067 176.117 0.277 0.000 0.989 99 I CA -0.973 60.561 61.300 0.389 0.000 1.188 99 I CB 0.733 38.905 38.000 0.287 0.000 1.342 99 I HN 0.394 nan 8.210 nan 0.000 0.457 100 Y N 6.089 126.305 120.300 -0.141 0.000 2.417 100 Y HA 0.515 5.080 4.550 0.026 0.000 0.336 100 Y C -0.125 175.613 175.900 -0.270 0.000 0.961 100 Y CA -0.518 57.234 58.100 -0.579 0.000 1.215 100 Y CB 0.993 38.620 38.460 -1.389 0.000 1.120 100 Y HN 0.638 nan 8.280 nan 0.000 0.499 101 T N 4.982 119.004 114.554 -0.887 0.000 2.893 101 T HA 0.274 4.640 4.350 0.026 0.000 0.293 101 T C 0.218 174.474 174.700 -0.740 0.000 1.027 101 T CA -0.537 61.097 62.100 -0.777 0.000 0.988 101 T CB 1.257 69.909 68.868 -0.361 0.000 1.043 101 T HN 0.901 nan 8.240 nan 0.000 0.461 102 N N 2.310 120.639 118.700 -0.619 0.000 2.202 102 N HA -0.002 4.753 4.740 0.026 0.000 0.191 102 N C 1.422 176.718 175.510 -0.356 0.000 1.054 102 N CA 0.760 53.605 53.050 -0.342 0.000 0.877 102 N CB 0.157 38.491 38.487 -0.256 0.000 1.057 102 N HN 0.374 nan 8.380 nan 0.000 0.456 103 V N 0.537 120.165 119.914 -0.477 0.000 2.436 103 V HA 0.039 4.175 4.120 0.026 0.000 0.240 103 V C 0.608 176.402 176.094 -0.499 0.000 1.040 103 V CA 0.781 62.711 62.300 -0.618 0.000 1.052 103 V CB -0.375 30.976 31.823 -0.787 0.000 0.707 103 V HN 0.345 nan 8.190 nan 0.000 0.469 104 T N 1.351 115.678 114.554 -0.378 0.000 2.871 104 T HA 0.103 4.469 4.350 0.026 0.000 0.296 104 T C -0.331 174.231 174.700 -0.229 0.000 0.998 104 T CA 0.288 62.236 62.100 -0.253 0.000 1.162 104 T CB -0.366 68.389 68.868 -0.188 0.000 0.947 104 T HN 0.172 nan 8.240 nan 0.000 0.536 105 Y N 5.192 125.404 120.300 -0.147 0.000 2.683 105 Y HA 0.082 4.647 4.550 0.026 0.000 0.340 105 Y C -0.651 175.129 175.900 -0.200 0.000 1.245 105 Y CA -1.485 56.517 58.100 -0.162 0.000 1.485 105 Y CB 0.334 38.701 38.460 -0.156 0.000 1.328 105 Y HN 0.512 nan 8.280 nan 0.000 0.603 106 P HA -0.018 nan 4.420 nan 0.000 0.237 106 P C -0.273 176.825 177.300 -0.336 0.000 1.178 106 P CA 1.115 64.115 63.100 -0.167 0.000 0.766 106 P CB 0.086 31.732 31.700 -0.090 0.000 0.876 107 I N -4.911 115.428 120.570 -0.386 0.000 2.892 107 I HA 0.484 4.670 4.170 0.026 0.000 0.306 107 I C -0.569 175.431 176.117 -0.196 0.000 1.078 107 I CA -1.217 59.831 61.300 -0.420 0.000 1.032 107 I CB 1.830 39.413 38.000 -0.694 0.000 1.229 107 I HN -0.452 nan 8.210 nan 0.000 0.435 108 T N 3.125 117.605 114.554 -0.123 0.000 2.908 108 T HA 0.126 4.491 4.350 0.026 0.000 0.301 108 T C 0.263 174.959 174.700 -0.007 0.000 1.019 108 T CA -0.217 61.861 62.100 -0.038 0.000 1.152 108 T CB 0.536 69.401 68.868 -0.005 0.000 0.966 108 T HN 0.389 nan 8.240 nan 0.000 0.540 109 V N 4.795 124.719 119.914 0.017 0.000 2.364 109 V HA 0.208 4.343 4.120 0.026 0.000 0.252 109 V C 0.708 176.842 176.094 0.065 0.000 1.075 109 V CA -0.176 62.151 62.300 0.044 0.000 1.033 109 V CB -0.418 31.416 31.823 0.018 0.000 1.116 109 V HN 0.876 nan 8.190 nan 0.000 0.488 110 N N 5.789 124.579 118.700 0.149 0.000 2.666 110 N HA 0.252 5.008 4.740 0.026 0.000 0.253 110 N C -2.757 172.828 175.510 0.125 0.000 1.621 110 N CA -1.147 51.985 53.050 0.137 0.000 0.785 110 N CB 1.486 40.090 38.487 0.194 0.000 1.332 110 N HN 0.311 nan 8.380 nan 0.000 0.514 111 P HA 0.141 nan 4.420 nan 0.000 0.266 111 P C -2.200 174.928 177.300 -0.286 0.000 1.195 111 P CA -0.591 62.173 63.100 -0.560 0.000 0.768 111 P CB 0.773 31.975 31.700 -0.830 0.000 0.838 112 P HA 0.204 nan 4.420 nan 0.000 0.259 112 P C -0.392 176.843 177.300 -0.110 0.000 1.530 112 P CA -0.272 62.688 63.100 -0.234 0.000 1.022 112 P CB -0.001 31.510 31.700 -0.315 0.000 1.514 113 F N 1.351 121.427 119.950 0.210 0.000 2.382 113 F HA 0.282 4.825 4.527 0.027 0.000 0.331 113 F C 1.311 177.277 175.800 0.277 0.000 1.121 113 F CA -0.699 57.424 58.000 0.206 0.000 1.183 113 F CB 0.622 39.688 39.000 0.111 0.000 1.207 113 F HN -0.195 nan 8.300 nan 0.000 0.555 114 V N -0.648 119.534 119.914 0.447 0.000 3.074 114 V HA 0.717 4.852 4.120 0.026 0.000 0.314 114 V C -2.807 173.449 176.094 0.269 0.000 1.117 114 V CA -2.979 59.502 62.300 0.301 0.000 1.014 114 V CB 1.473 33.529 31.823 0.388 0.000 1.057 114 V HN 0.505 nan 8.190 nan 0.000 0.438 115 P HA 0.171 nan 4.420 nan 0.000 0.266 115 P C 1.087 178.530 177.300 0.238 0.000 1.193 115 P CA 0.618 63.816 63.100 0.164 0.000 0.770 115 P CB 0.498 32.267 31.700 0.116 0.000 0.836 116 T N -1.607 113.058 114.554 0.185 0.000 2.904 116 T HA -0.071 4.295 4.350 0.026 0.000 0.267 116 T C 0.601 175.409 174.700 0.180 0.000 1.059 116 T CA 0.816 63.027 62.100 0.186 0.000 1.137 116 T CB -0.361 68.582 68.868 0.125 0.000 0.879 116 T HN 0.290 nan 8.240 nan 0.000 0.467 117 E N 3.196 123.504 120.200 0.180 0.000 1.865 117 E HA 0.256 4.621 4.350 0.026 0.000 0.269 117 E C -0.696 176.064 176.600 0.266 0.000 1.177 117 E CA -0.107 56.406 56.400 0.188 0.000 0.932 117 E CB 0.049 29.866 29.700 0.196 0.000 1.066 117 E HN 0.343 nan 8.360 nan 0.000 0.405 118 N N 3.739 122.563 118.700 0.206 0.000 2.626 118 N HA 0.247 5.002 4.740 0.026 0.000 0.249 118 N C -2.849 172.688 175.510 0.045 0.000 1.021 118 N CA -2.413 50.783 53.050 0.244 0.000 0.886 118 N CB 1.142 39.753 38.487 0.208 0.000 1.149 118 N HN -0.067 nan 8.380 nan 0.000 0.517 119 P HA -0.031 nan 4.420 nan 0.000 0.259 119 P C -0.902 176.299 177.300 -0.164 0.000 1.163 119 P CA 0.674 63.751 63.100 -0.039 0.000 0.760 119 P CB 0.399 32.391 31.700 0.488 0.000 0.762 120 T N 2.912 117.087 114.554 -0.632 0.000 2.809 120 T HA 0.526 4.892 4.350 0.026 0.000 0.284 120 T C 0.277 174.489 174.700 -0.814 0.000 0.992 120 T CA -0.587 61.218 62.100 -0.492 0.000 0.957 120 T CB 1.489 70.099 68.868 -0.431 0.000 0.942 120 T HN 0.326 nan 8.240 nan 0.000 0.439 121 G N 1.166 109.617 108.800 -0.582 0.000 2.329 121 G HA2 0.451 4.427 3.960 0.026 0.000 0.309 121 G HA3 0.451 4.427 3.960 0.026 0.000 0.309 121 G C -0.142 174.620 174.900 -0.231 0.000 1.110 121 G CA -0.350 44.387 45.100 -0.604 0.000 0.923 121 G HN 0.867 nan 8.290 nan 0.000 0.430 122 C N 3.614 122.506 119.300 -0.681 0.000 2.200 122 C HA 0.420 4.896 4.460 0.026 0.000 0.328 122 C C -0.400 174.617 174.990 0.045 0.000 1.148 122 C CA -0.937 57.802 59.018 -0.464 0.000 1.624 122 C CB -1.868 25.154 27.740 -1.197 0.000 2.167 122 C HN 0.626 nan 8.230 nan 0.000 0.484 123 Y N 1.993 122.610 120.300 0.529 0.000 2.387 123 Y HA 0.614 5.180 4.550 0.026 0.000 0.330 123 Y C 0.840 177.196 175.900 0.761 0.000 1.133 123 Y CA -0.110 58.399 58.100 0.681 0.000 1.152 123 Y CB 1.364 40.195 38.460 0.618 0.000 1.215 123 Y HN 0.658 nan 8.280 nan 0.000 0.466 124 S N 2.242 118.433 115.700 0.818 0.000 2.550 124 S HA 0.759 5.245 4.470 0.026 0.000 0.270 124 S C -1.981 172.727 174.600 0.180 0.000 1.145 124 S CA -0.827 57.628 58.200 0.424 0.000 0.852 124 S CB 1.993 65.328 63.200 0.224 0.000 1.119 124 S HN 0.585 nan 8.310 nan 0.000 0.465 125 L N 1.183 122.313 121.223 -0.155 0.000 2.470 125 L HA 0.704 5.060 4.340 0.026 0.000 0.268 125 L C -1.002 175.807 176.870 -0.100 0.000 0.964 125 L CA 0.119 54.694 54.840 -0.442 0.000 0.839 125 L CB 2.209 43.438 42.059 -1.384 0.000 1.276 125 L HN 0.898 nan 8.230 nan 0.000 0.403 126 T N 6.082 120.613 114.554 -0.038 0.000 2.743 126 T HA 0.683 5.049 4.350 0.026 0.000 0.292 126 T C -0.729 174.029 174.700 0.097 0.000 0.972 126 T CA 0.035 62.157 62.100 0.036 0.000 0.967 126 T CB 0.040 68.898 68.868 -0.017 0.000 0.926 126 T HN 0.429 nan 8.240 nan 0.000 0.459 127 F N 1.113 120.964 119.950 -0.165 0.000 2.650 127 F HA 0.774 5.317 4.527 0.026 0.000 0.320 127 F C -0.859 174.864 175.800 -0.127 0.000 1.091 127 F CA -1.878 56.027 58.000 -0.158 0.000 0.962 127 F CB 0.922 39.804 39.000 -0.197 0.000 1.363 127 F HN 0.227 nan 8.300 nan 0.000 0.482 128 N N -0.219 118.367 118.700 -0.190 0.000 2.417 128 N HA 0.729 5.485 4.740 0.026 0.000 0.300 128 N C -1.694 173.651 175.510 -0.275 0.000 1.102 128 N CA -0.744 52.136 53.050 -0.284 0.000 0.886 128 N CB 2.272 40.663 38.487 -0.162 0.000 1.203 128 N HN 0.546 nan 8.380 nan 0.000 0.496 129 V N 1.200 120.929 119.914 -0.309 0.000 2.577 129 V HA 0.254 4.390 4.120 0.026 0.000 0.303 129 V C -0.846 175.096 176.094 -0.253 0.000 1.042 129 V CA -0.937 61.186 62.300 -0.295 0.000 0.872 129 V CB 1.761 33.467 31.823 -0.195 0.000 0.998 129 V HN 0.622 nan 8.190 nan 0.000 0.423 130 D N 2.805 122.985 120.400 -0.367 0.000 2.472 130 D HA 0.036 4.691 4.640 0.026 0.000 0.237 130 D C 1.435 177.710 176.300 -0.042 0.000 1.141 130 D CA 0.179 54.055 54.000 -0.207 0.000 0.875 130 D CB 0.926 41.579 40.800 -0.245 0.000 1.192 130 D HN 0.822 nan 8.370 nan 0.000 0.450 131 E N 0.400 120.600 120.200 -0.000 0.000 2.204 131 E HA -0.215 4.151 4.350 0.026 0.000 0.195 131 E C 1.436 178.099 176.600 0.106 0.000 0.990 131 E CA 1.114 57.541 56.400 0.045 0.000 0.821 131 E CB -0.163 29.550 29.700 0.022 0.000 0.750 131 E HN 0.367 nan 8.360 nan 0.000 0.477 132 S N 0.310 116.086 115.700 0.126 0.000 2.400 132 S HA -0.175 4.311 4.470 0.026 0.000 0.232 132 S C 1.482 176.190 174.600 0.180 0.000 1.025 132 S CA 0.797 59.079 58.200 0.136 0.000 0.993 132 S CB -0.734 62.544 63.200 0.129 0.000 0.808 132 S HN 0.458 nan 8.310 nan 0.000 0.478 133 W N 1.693 122.948 121.300 -0.076 0.000 2.425 133 W HA 0.322 4.998 4.660 0.026 0.000 0.277 133 W C 2.004 178.617 176.519 0.156 0.000 1.231 133 W CA 0.024 57.348 57.345 -0.035 0.000 1.248 133 W CB -0.506 28.987 29.460 0.054 0.000 1.117 133 W HN 0.306 nan 8.180 nan 0.000 0.568 134 L N -0.743 120.666 121.223 0.310 0.000 2.416 134 L HA 0.010 4.366 4.340 0.026 0.000 0.216 134 L C 2.005 178.965 176.870 0.151 0.000 1.098 134 L CA 0.594 55.563 54.840 0.214 0.000 0.840 134 L CB -0.702 41.447 42.059 0.149 0.000 0.981 134 L HN -0.056 nan 8.230 nan 0.000 0.462 135 Q N 0.746 120.625 119.800 0.131 0.000 2.369 135 Q HA -0.054 4.302 4.340 0.026 0.000 0.206 135 Q C 0.076 176.130 176.000 0.091 0.000 0.963 135 Q CA 0.611 56.468 55.803 0.090 0.000 0.894 135 Q CB 0.295 29.074 28.738 0.069 0.000 0.965 135 Q HN 0.585 nan 8.270 nan 0.000 0.475 136 E N -2.048 118.231 120.200 0.132 0.000 2.416 136 E HA 0.512 4.878 4.350 0.026 0.000 0.280 136 E C -0.194 176.527 176.600 0.201 0.000 1.055 136 E CA -0.622 55.852 56.400 0.124 0.000 0.825 136 E CB 1.026 30.780 29.700 0.091 0.000 1.312 136 E HN 0.035 nan 8.360 nan 0.000 0.452 137 G N 0.884 109.734 108.800 0.083 0.000 2.645 137 G HA2 -0.275 3.701 3.960 0.026 0.000 0.239 137 G HA3 -0.275 3.701 3.960 0.026 0.000 0.239 137 G C -0.730 174.069 174.900 -0.169 0.000 1.331 137 G CA 0.186 45.237 45.100 -0.082 0.000 0.890 137 G HN 0.792 nan 8.290 nan 0.000 0.572 138 Q N -0.547 119.003 119.800 -0.417 0.000 2.337 138 Q HA 0.633 4.989 4.340 0.026 0.000 0.270 138 Q C -1.011 174.809 176.000 -0.300 0.000 1.043 138 Q CA -0.474 55.184 55.803 -0.242 0.000 0.794 138 Q CB 1.602 30.247 28.738 -0.155 0.000 1.281 138 Q HN 0.624 nan 8.270 nan 0.000 0.446 139 T N 4.882 119.426 114.554 -0.017 0.000 2.770 139 T HA 0.487 4.852 4.350 0.026 0.000 0.283 139 T C -0.645 174.148 174.700 0.156 0.000 0.988 139 T CA -0.635 61.551 62.100 0.144 0.000 0.957 139 T CB 0.520 69.625 68.868 0.395 0.000 0.930 139 T HN 0.634 nan 8.240 nan 0.000 0.443 140 R N 2.859 123.441 120.500 0.137 0.000 2.803 140 R HA 0.784 5.139 4.340 0.026 0.000 0.276 140 R C -1.115 175.271 176.300 0.144 0.000 0.978 140 R CA -0.992 55.190 56.100 0.137 0.000 0.939 140 R CB 1.562 31.917 30.300 0.093 0.000 1.179 140 R HN 0.570 nan 8.270 nan 0.000 0.472 141 I N 2.632 123.286 120.570 0.141 0.000 2.460 141 I HA 0.454 4.640 4.170 0.026 0.000 0.298 141 I C -1.089 175.044 176.117 0.027 0.000 0.989 141 I CA -1.321 60.007 61.300 0.047 0.000 1.173 141 I CB 1.384 39.401 38.000 0.028 0.000 1.338 141 I HN 0.632 nan 8.210 nan 0.000 0.456 142 I N 7.202 127.690 120.570 -0.138 0.000 2.418 142 I HA 0.295 4.481 4.170 0.026 0.000 0.287 142 I C -1.316 174.628 176.117 -0.289 0.000 1.008 142 I CA -0.392 60.844 61.300 -0.108 0.000 1.104 142 I CB 1.518 39.479 38.000 -0.066 0.000 1.264 142 I HN 0.393 nan 8.210 nan 0.000 0.438 143 F N 4.440 124.366 119.950 -0.040 0.000 2.308 143 F HA 0.280 4.822 4.527 0.026 0.000 0.370 143 F C 1.289 176.966 175.800 -0.204 0.000 1.100 143 F CA -0.514 57.392 58.000 -0.156 0.000 1.108 143 F CB 0.785 39.647 39.000 -0.231 0.000 1.293 143 F HN 0.455 nan 8.300 nan 0.000 0.478 144 D N 2.380 122.692 120.400 -0.146 0.000 2.310 144 D HA 0.036 4.692 4.640 0.026 0.000 0.212 144 D C 0.996 177.118 176.300 -0.297 0.000 0.965 144 D CA 0.904 54.770 54.000 -0.223 0.000 0.879 144 D CB 0.387 40.997 40.800 -0.316 0.000 0.921 144 D HN 0.640 nan 8.370 nan 0.000 0.510 145 G N -0.356 108.214 108.800 -0.385 0.000 2.455 145 G HA2 0.404 4.380 3.960 0.026 0.000 0.298 145 G HA3 0.404 4.380 3.960 0.026 0.000 0.298 145 G C -1.442 173.179 174.900 -0.465 0.000 1.349 145 G CA -0.476 44.287 45.100 -0.561 0.000 1.220 145 G HN -0.049 nan 8.290 nan 0.000 0.598 146 V N 2.715 122.550 119.914 -0.132 0.000 2.531 146 V HA 0.532 4.668 4.120 0.026 0.000 0.301 146 V C -0.711 175.459 176.094 0.127 0.000 1.034 146 V CA -1.217 61.018 62.300 -0.108 0.000 0.865 146 V CB 1.961 33.461 31.823 -0.538 0.000 0.995 146 V HN 0.680 nan 8.190 nan 0.000 0.424 147 N N 2.462 121.237 118.700 0.126 0.000 2.444 147 N HA 0.303 5.058 4.740 0.026 0.000 0.262 147 N C 0.599 176.052 175.510 -0.094 0.000 0.974 147 N CA 0.155 53.191 53.050 -0.023 0.000 0.933 147 N CB 2.086 40.401 38.487 -0.286 0.000 1.137 147 N HN 0.740 nan 8.380 nan 0.000 0.498 148 S N 1.695 117.382 115.700 -0.022 0.000 2.578 148 S HA 0.564 5.050 4.470 0.026 0.000 0.228 148 S C 0.244 174.912 174.600 0.113 0.000 1.022 148 S CA -0.154 58.079 58.200 0.056 0.000 0.967 148 S CB 0.419 63.667 63.200 0.080 0.000 0.914 148 S HN 0.611 nan 8.310 nan 0.000 0.515 149 A N 0.970 123.869 122.820 0.132 0.000 2.612 149 A HA 0.784 5.120 4.320 0.026 0.000 0.293 149 A C -1.383 176.310 177.584 0.182 0.000 1.075 149 A CA -0.897 51.191 52.037 0.084 0.000 0.680 149 A CB 0.971 20.049 19.000 0.129 0.000 1.279 149 A HN 1.133 nan 8.150 nan 0.000 0.411 150 F N -0.555 119.224 119.950 -0.286 0.000 2.703 150 F HA 0.721 5.263 4.527 0.026 0.000 0.308 150 F C -1.310 174.387 175.800 -0.171 0.000 1.126 150 F CA -0.758 57.162 58.000 -0.133 0.000 0.959 150 F CB 0.937 39.840 39.000 -0.162 0.000 1.297 150 F HN 0.638 nan 8.300 nan 0.000 0.441 151 H N 1.964 121.126 119.070 0.153 0.000 2.529 151 H HA 0.742 5.314 4.556 0.026 0.000 0.348 151 H C -1.431 173.807 175.328 -0.150 0.000 1.152 151 H CA -0.713 55.306 56.048 -0.049 0.000 1.202 151 H CB 2.495 32.272 29.762 0.025 0.000 1.562 151 H HN 0.806 nan 8.280 nan 0.000 0.515 152 L N 2.908 123.850 121.223 -0.468 0.000 2.386 152 L HA 0.410 4.765 4.340 0.026 0.000 0.271 152 L C -1.616 174.940 176.870 -0.523 0.000 0.993 152 L CA -0.502 54.144 54.840 -0.324 0.000 0.819 152 L CB 1.429 43.187 42.059 -0.501 0.000 1.294 152 L HN 0.508 nan 8.230 nan 0.000 0.414 153 W N 4.371 125.635 121.300 -0.060 0.000 2.844 153 W HA 0.577 5.253 4.660 0.027 0.000 0.340 153 W C -1.191 175.290 176.519 -0.064 0.000 1.093 153 W CA -0.796 56.516 57.345 -0.056 0.000 1.212 153 W CB 2.059 31.524 29.460 0.008 0.000 1.422 153 W HN 0.580 nan 8.180 nan 0.000 0.515 154 C N 4.842 124.254 119.300 0.186 0.000 2.397 154 C HA 0.306 4.782 4.460 0.026 0.000 0.325 154 C C 0.243 175.378 174.990 0.242 0.000 1.201 154 C CA -0.333 58.793 59.018 0.179 0.000 1.377 154 C CB -0.552 27.252 27.740 0.106 0.000 2.038 154 C HN 0.796 nan 8.230 nan 0.000 0.457 155 N N 3.662 122.454 118.700 0.152 0.000 2.727 155 N HA -0.188 4.568 4.740 0.026 0.000 0.249 155 N C 0.985 176.563 175.510 0.114 0.000 1.048 155 N CA 1.962 55.073 53.050 0.101 0.000 0.714 155 N CB -1.270 37.279 38.487 0.103 0.000 0.959 155 N HN 1.795 nan 8.380 nan 0.000 0.544 156 G N -1.197 107.662 108.800 0.099 0.000 2.212 156 G HA2 -0.379 3.596 3.960 0.026 0.000 0.266 156 G HA3 -0.379 3.596 3.960 0.026 0.000 0.266 156 G C 0.154 175.219 174.900 0.275 0.000 0.978 156 G CA 0.726 45.882 45.100 0.093 0.000 0.632 156 G HN 0.579 nan 8.290 nan 0.000 0.537 157 R N -0.942 119.789 120.500 0.384 0.000 2.346 157 R HA 0.441 4.797 4.340 0.026 0.000 0.311 157 R C -0.164 176.480 176.300 0.574 0.000 0.983 157 R CA -0.878 55.529 56.100 0.511 0.000 0.880 157 R CB 1.046 31.643 30.300 0.494 0.000 1.100 157 R HN 0.221 nan 8.270 nan 0.000 0.453 158 W N 3.749 125.246 121.300 0.328 0.000 2.251 158 W HA 0.064 4.739 4.660 0.026 0.000 0.327 158 W C 0.055 176.491 176.519 -0.140 0.000 1.361 158 W CA 0.085 57.307 57.345 -0.205 0.000 1.234 158 W CB 0.645 29.965 29.460 -0.234 0.000 1.212 158 W HN 0.349 nan 8.180 nan 0.000 0.557 159 V N 5.334 124.521 119.914 -1.213 0.000 2.743 159 V HA 0.533 4.669 4.120 0.026 0.000 0.237 159 V C 1.048 176.182 176.094 -1.599 0.000 1.113 159 V CA 1.050 62.584 62.300 -1.277 0.000 1.141 159 V CB -0.402 30.701 31.823 -1.200 0.000 0.873 159 V HN 0.790 nan 8.190 nan 0.000 0.486 160 G N -1.827 105.835 108.800 -1.897 0.000 2.490 160 G HA2 0.503 4.479 3.960 0.026 0.000 0.308 160 G HA3 0.503 4.479 3.960 0.026 0.000 0.308 160 G C -2.428 171.986 174.900 -0.810 0.000 1.286 160 G CA -0.293 43.988 45.100 -1.365 0.000 0.825 160 G HN 0.014 nan 8.290 nan 0.000 0.479 161 Y N -0.573 119.432 120.300 -0.491 0.000 2.534 161 Y HA 0.694 5.259 4.550 0.026 0.000 0.345 161 Y C -0.140 175.510 175.900 -0.416 0.000 1.031 161 Y CA -0.119 57.653 58.100 -0.546 0.000 1.022 161 Y CB 2.264 40.548 38.460 -0.293 0.000 1.292 161 Y HN 1.177 nan 8.280 nan 0.000 0.459 162 G N 3.925 111.840 108.800 -1.474 0.000 2.733 162 G HA2 0.569 4.544 3.960 0.026 0.000 0.297 162 G HA3 0.569 4.544 3.960 0.026 0.000 0.297 162 G C -2.128 172.336 174.900 -0.726 0.000 1.422 162 G CA -0.857 43.731 45.100 -0.854 0.000 0.942 162 G HN 0.623 nan 8.290 nan 0.000 0.510 163 Q N -0.197 119.422 119.800 -0.302 0.000 2.633 163 Q HA 0.594 4.950 4.340 0.026 0.000 0.292 163 Q C -1.320 174.690 176.000 0.017 0.000 1.089 163 Q CA -0.828 54.915 55.803 -0.099 0.000 0.811 163 Q CB 2.608 31.336 28.738 -0.017 0.000 1.472 163 Q HN 0.663 nan 8.270 nan 0.000 0.464 164 D N -0.225 120.218 120.400 0.073 0.000 4.280 164 D HA -0.097 4.558 4.640 0.026 0.000 0.225 164 D C -0.505 175.860 176.300 0.107 0.000 1.273 164 D CA 0.496 54.552 54.000 0.094 0.000 0.948 164 D CB -0.583 40.256 40.800 0.064 0.000 0.545 164 D HN 0.536 nan 8.370 nan 0.000 0.247 165 S N 3.412 119.190 115.700 0.130 0.000 2.507 165 S HA -0.066 4.419 4.470 0.026 0.000 0.235 165 S C 1.558 176.292 174.600 0.223 0.000 0.988 165 S CA 0.528 58.836 58.200 0.180 0.000 0.944 165 S CB 0.246 63.523 63.200 0.129 0.000 0.762 165 S HN 0.473 nan 8.310 nan 0.000 0.526 166 R N 0.160 120.747 120.500 0.145 0.000 2.472 166 R HA 0.432 4.788 4.340 0.026 0.000 0.279 166 R C -0.272 176.076 176.300 0.080 0.000 0.953 166 R CA 0.052 56.228 56.100 0.127 0.000 1.088 166 R CB 0.092 30.481 30.300 0.148 0.000 1.197 166 R HN 0.336 nan 8.270 nan 0.000 0.536 167 L N 1.910 123.157 121.223 0.040 0.000 2.354 167 L HA 0.502 4.858 4.340 0.026 0.000 0.264 167 L C -2.316 174.528 176.870 -0.043 0.000 1.008 167 L CA -2.258 52.579 54.840 -0.004 0.000 0.819 167 L CB 3.002 45.055 42.059 -0.009 0.000 1.339 167 L HN -0.200 nan 8.230 nan 0.000 0.420 168 P HA 0.100 nan 4.420 nan 0.000 0.271 168 P C -1.005 176.250 177.300 -0.074 0.000 1.216 168 P CA -0.240 62.808 63.100 -0.086 0.000 0.776 168 P CB 1.277 32.893 31.700 -0.139 0.000 0.881 169 S N 1.808 117.517 115.700 0.015 0.000 2.498 169 S HA 0.321 4.806 4.470 0.026 0.000 0.317 169 S C -0.411 174.112 174.600 -0.129 0.000 1.090 169 S CA -0.542 57.626 58.200 -0.055 0.000 1.089 169 S CB 0.940 64.283 63.200 0.238 0.000 0.997 169 S HN 0.386 nan 8.310 nan 0.000 0.470 170 E N 1.820 121.746 120.200 -0.457 0.000 2.212 170 E HA 0.600 4.966 4.350 0.026 0.000 0.268 170 E C -1.430 174.743 176.600 -0.711 0.000 0.902 170 E CA -0.548 55.646 56.400 -0.343 0.000 0.779 170 E CB 1.583 31.202 29.700 -0.134 0.000 1.172 170 E HN 0.428 nan 8.360 nan 0.000 0.409 171 F N 0.587 120.583 119.950 0.077 0.000 2.578 171 F HA 0.211 4.754 4.527 0.027 0.000 0.311 171 F C -0.058 175.755 175.800 0.020 0.000 1.094 171 F CA -1.129 56.879 58.000 0.014 0.000 0.923 171 F CB 1.509 40.483 39.000 -0.043 0.000 1.230 171 F HN 0.259 nan 8.300 nan 0.000 0.450 172 D N 2.852 123.364 120.400 0.187 0.000 2.325 172 D HA 0.227 4.883 4.640 0.026 0.000 0.251 172 D C 0.300 176.712 176.300 0.185 0.000 1.196 172 D CA 0.302 54.396 54.000 0.157 0.000 0.866 172 D CB 1.032 41.913 40.800 0.135 0.000 1.101 172 D HN 0.592 nan 8.370 nan 0.000 0.476 173 L N 2.771 124.114 121.223 0.199 0.000 2.640 173 L HA 0.028 4.383 4.340 0.026 0.000 0.230 173 L C 2.151 179.228 176.870 0.345 0.000 1.123 173 L CA -0.166 54.826 54.840 0.253 0.000 0.900 173 L CB 0.106 42.292 42.059 0.210 0.000 1.146 173 L HN 0.275 nan 8.230 nan 0.000 0.484 174 S N 1.334 117.191 115.700 0.261 0.000 2.380 174 S HA -0.276 4.210 4.470 0.026 0.000 0.229 174 S C 2.003 176.715 174.600 0.185 0.000 1.043 174 S CA 1.872 60.193 58.200 0.202 0.000 1.038 174 S CB -0.142 63.136 63.200 0.130 0.000 0.872 174 S HN 0.564 nan 8.310 nan 0.000 0.456 175 A N -0.655 122.281 122.820 0.194 0.000 2.251 175 A HA 0.348 4.683 4.320 0.026 0.000 0.209 175 A C 1.278 178.786 177.584 -0.127 0.000 1.187 175 A CA 0.262 52.299 52.037 0.001 0.000 0.823 175 A CB -0.364 18.564 19.000 -0.120 0.000 0.846 175 A HN 0.471 nan 8.150 nan 0.000 0.486 176 F N -0.669 119.321 119.950 0.067 0.000 2.694 176 F HA 0.364 4.907 4.527 0.026 0.000 0.292 176 F C 0.709 176.544 175.800 0.058 0.000 1.121 176 F CA -0.174 57.865 58.000 0.065 0.000 1.352 176 F CB -0.015 39.030 39.000 0.074 0.000 1.107 176 F HN -0.032 nan 8.300 nan 0.000 0.597 177 L N 1.190 122.558 121.223 0.241 0.000 2.439 177 L HA 0.483 4.838 4.340 0.026 0.000 0.259 177 L C 0.224 177.130 176.870 0.060 0.000 1.129 177 L CA -0.683 54.237 54.840 0.133 0.000 0.803 177 L CB 0.943 43.091 42.059 0.148 0.000 1.161 177 L HN 0.028 nan 8.230 nan 0.000 0.462 178 R N 1.013 121.511 120.500 -0.004 0.000 2.795 178 R HA 0.805 5.160 4.340 0.026 0.000 0.275 178 R C -1.089 175.178 176.300 -0.054 0.000 0.981 178 R CA -0.945 55.142 56.100 -0.021 0.000 0.917 178 R CB 1.532 31.811 30.300 -0.036 0.000 1.202 178 R HN 0.551 nan 8.270 nan 0.000 0.469 179 A N 1.365 124.163 122.820 -0.036 0.000 2.511 179 A HA 0.508 4.844 4.320 0.026 0.000 0.242 179 A C 1.043 178.573 177.584 -0.091 0.000 1.069 179 A CA 1.030 53.036 52.037 -0.052 0.000 0.763 179 A CB -0.598 18.387 19.000 -0.025 0.000 1.001 179 A HN 1.336 nan 8.150 nan 0.000 0.498 180 G N 1.763 110.486 108.800 -0.128 0.000 2.513 180 G HA2 -0.145 3.831 3.960 0.026 0.000 0.227 180 G HA3 -0.145 3.831 3.960 0.026 0.000 0.227 180 G C -0.260 174.508 174.900 -0.221 0.000 1.176 180 G CA 0.045 45.058 45.100 -0.145 0.000 0.967 180 G HN 0.966 nan 8.290 nan 0.000 0.587 181 E N 1.706 121.790 120.200 -0.194 0.000 2.316 181 E HA 0.409 4.775 4.350 0.026 0.000 0.275 181 E C -0.049 176.374 176.600 -0.295 0.000 1.029 181 E CA -0.053 56.200 56.400 -0.244 0.000 0.871 181 E CB 0.472 30.081 29.700 -0.152 0.000 1.022 181 E HN 0.419 nan 8.360 nan 0.000 0.418 182 N N 2.352 120.766 118.700 -0.477 0.000 2.357 182 N HA 0.393 5.149 4.740 0.026 0.000 0.284 182 N C -1.044 174.316 175.510 -0.251 0.000 1.236 182 N CA -0.745 52.044 53.050 -0.433 0.000 0.774 182 N CB 2.393 40.441 38.487 -0.731 0.000 1.534 182 N HN 0.287 nan 8.380 nan 0.000 0.478 183 R N 1.542 122.023 120.500 -0.032 0.000 2.502 183 R HA 0.464 4.820 4.340 0.026 0.000 0.300 183 R C -1.259 175.117 176.300 0.127 0.000 0.984 183 R CA -0.471 55.667 56.100 0.063 0.000 0.882 183 R CB 0.886 31.170 30.300 -0.026 0.000 1.180 183 R HN 0.483 nan 8.270 nan 0.000 0.444 184 L N 3.120 124.442 121.223 0.165 0.000 2.357 184 L HA 0.747 5.103 4.340 0.026 0.000 0.273 184 L C -0.149 176.772 176.870 0.084 0.000 1.080 184 L CA -0.902 54.026 54.840 0.148 0.000 0.803 184 L CB 1.860 43.983 42.059 0.107 0.000 1.174 184 L HN 0.752 nan 8.230 nan 0.000 0.443 185 A N 2.892 125.781 122.820 0.116 0.000 2.353 185 A HA 0.731 5.067 4.320 0.026 0.000 0.299 185 A C -1.042 176.804 177.584 0.437 0.000 1.089 185 A CA -0.442 51.562 52.037 -0.054 0.000 0.736 185 A CB 1.492 20.059 19.000 -0.722 0.000 1.195 185 A HN 0.372 nan 8.150 nan 0.000 0.447 186 V N 3.409 123.750 119.914 0.711 0.000 2.407 186 V HA 0.467 4.603 4.120 0.026 0.000 0.291 186 V C -0.064 176.576 176.094 0.911 0.000 1.018 186 V CA -0.299 62.447 62.300 0.742 0.000 0.842 186 V CB 1.541 33.627 31.823 0.438 0.000 0.996 186 V HN 0.961 nan 8.190 nan 0.000 0.426 187 M N 5.994 126.140 119.600 0.910 0.000 2.055 187 M HA 0.528 5.023 4.480 0.026 0.000 0.347 187 M C -1.368 175.202 176.300 0.450 0.000 1.123 187 M CA -0.380 55.277 55.300 0.594 0.000 1.035 187 M CB 1.024 33.999 32.600 0.625 0.000 1.484 187 M HN 0.482 nan 8.290 nan 0.000 0.428 188 V N 6.905 127.049 119.914 0.384 0.000 2.370 188 V HA 0.366 4.501 4.120 0.026 0.000 0.279 188 V C -0.055 176.215 176.094 0.293 0.000 1.029 188 V CA -0.622 61.901 62.300 0.372 0.000 0.870 188 V CB 1.229 33.353 31.823 0.501 0.000 0.984 188 V HN 0.788 nan 8.190 nan 0.000 0.451 189 L N 5.014 126.336 121.223 0.165 0.000 2.289 189 L HA 0.520 4.876 4.340 0.026 0.000 0.285 189 L C 1.552 178.449 176.870 0.045 0.000 1.049 189 L CA -0.405 54.460 54.840 0.041 0.000 0.804 189 L CB 1.169 43.148 42.059 -0.133 0.000 1.195 189 L HN 0.629 nan 8.230 nan 0.000 0.428 190 R N 2.668 123.146 120.500 -0.037 0.000 2.092 190 R HA -0.036 4.319 4.340 0.026 0.000 0.231 190 R C -0.428 175.567 176.300 -0.507 0.000 1.119 190 R CA 1.138 56.976 56.100 -0.436 0.000 0.970 190 R CB 0.264 30.153 30.300 -0.686 0.000 0.864 190 R HN 0.584 nan 8.270 nan 0.000 0.440 191 W N 0.075 121.439 121.300 0.107 0.000 2.666 191 W HA 0.432 5.108 4.660 0.026 0.000 0.334 191 W C -0.430 176.195 176.519 0.176 0.000 1.051 191 W CA -0.877 56.535 57.345 0.111 0.000 1.224 191 W CB 1.840 31.368 29.460 0.112 0.000 1.405 191 W HN -0.028 nan 8.180 nan 0.000 0.513 192 S N -1.132 114.847 115.700 0.464 0.000 2.672 192 S HA 0.195 4.681 4.470 0.026 0.000 0.271 192 S C 0.027 174.867 174.600 0.400 0.000 1.171 192 S CA -0.468 58.017 58.200 0.475 0.000 0.817 192 S CB 1.132 64.593 63.200 0.434 0.000 1.150 192 S HN 0.633 nan 8.310 nan 0.000 0.478 193 D N 0.383 121.032 120.400 0.415 0.000 2.309 193 D HA 0.071 4.727 4.640 0.026 0.000 0.212 193 D C 1.728 178.347 176.300 0.531 0.000 0.968 193 D CA 1.180 55.480 54.000 0.500 0.000 0.882 193 D CB -0.640 40.329 40.800 0.282 0.000 0.918 193 D HN 0.705 nan 8.370 nan 0.000 0.503 194 G N 0.139 109.164 108.800 0.375 0.000 2.443 194 G HA2 -0.235 3.740 3.960 0.026 0.000 0.219 194 G HA3 -0.235 3.740 3.960 0.026 0.000 0.219 194 G C 1.681 176.759 174.900 0.297 0.000 1.131 194 G CA 0.591 45.886 45.100 0.325 0.000 0.775 194 G HN 0.305 nan 8.290 nan 0.000 0.547 195 S N 0.048 115.899 115.700 0.251 0.000 2.442 195 S HA -0.104 4.381 4.470 0.026 0.000 0.236 195 S C 1.856 176.526 174.600 0.117 0.000 1.007 195 S CA 0.695 59.005 58.200 0.184 0.000 0.965 195 S CB -0.365 62.945 63.200 0.183 0.000 0.773 195 S HN 0.511 nan 8.310 nan 0.000 0.504 196 Y N 1.056 121.469 120.300 0.188 0.000 2.509 196 Y HA 0.146 4.711 4.550 0.026 0.000 0.293 196 Y C 1.520 177.496 175.900 0.128 0.000 1.133 196 Y CA 0.500 58.622 58.100 0.036 0.000 1.283 196 Y CB -0.231 38.099 38.460 -0.216 0.000 1.001 196 Y HN 0.213 nan 8.280 nan 0.000 0.555 197 L N -0.377 121.021 121.223 0.292 0.000 2.769 197 L HA 0.187 4.543 4.340 0.026 0.000 0.240 197 L C -0.078 176.929 176.870 0.229 0.000 1.163 197 L CA 0.321 55.297 54.840 0.227 0.000 0.962 197 L CB 0.137 42.331 42.059 0.226 0.000 1.258 197 L HN 0.092 nan 8.230 nan 0.000 0.513 198 E N 0.034 120.384 120.200 0.251 0.000 4.044 198 E HA 0.060 4.426 4.350 0.026 0.000 0.216 198 E C -0.602 176.121 176.600 0.206 0.000 1.104 198 E CA -0.055 56.483 56.400 0.231 0.000 1.383 198 E CB 0.588 30.416 29.700 0.213 0.000 1.195 198 E HN 0.018 nan 8.360 nan 0.000 0.442 199 D N 1.273 121.760 120.400 0.145 0.000 2.706 199 D HA 0.038 4.694 4.640 0.026 0.000 0.236 199 D C -0.253 176.059 176.300 0.019 0.000 1.231 199 D CA -0.177 53.806 54.000 -0.028 0.000 0.828 199 D CB 0.179 40.740 40.800 -0.399 0.000 1.015 199 D HN 0.052 nan 8.370 nan 0.000 0.484 200 Q N 0.498 120.395 119.800 0.162 0.000 2.392 200 Q HA 0.120 4.476 4.340 0.026 0.000 0.262 200 Q C -0.156 175.978 176.000 0.222 0.000 1.003 200 Q CA 0.072 56.037 55.803 0.270 0.000 0.888 200 Q CB 0.646 29.686 28.738 0.505 0.000 1.260 200 Q HN 0.095 nan 8.270 nan 0.000 0.435 201 D N 3.377 123.935 120.400 0.264 0.000 2.441 201 D HA 0.192 4.848 4.640 0.026 0.000 0.243 201 D C -0.762 175.704 176.300 0.276 0.000 1.257 201 D CA 0.159 54.297 54.000 0.231 0.000 1.027 201 D CB -0.394 40.552 40.800 0.244 0.000 1.084 201 D HN 0.501 nan 8.370 nan 0.000 0.514 202 M N 0.489 120.213 119.600 0.206 0.000 3.069 202 M HA 0.357 4.852 4.480 0.026 0.000 0.274 202 M C -1.358 175.033 176.300 0.153 0.000 1.146 202 M CA -1.179 54.169 55.300 0.080 0.000 0.807 202 M CB 0.933 33.470 32.600 -0.106 0.000 1.621 202 M HN -0.076 nan 8.290 nan 0.000 0.521 203 W N 1.968 123.351 121.300 0.138 0.000 2.193 203 W HA 0.321 4.997 4.660 0.026 0.000 0.338 203 W C 0.269 176.810 176.519 0.036 0.000 1.310 203 W CA 0.060 57.476 57.345 0.119 0.000 1.243 203 W CB 0.336 29.803 29.460 0.010 0.000 1.165 203 W HN 0.284 nan 8.180 nan 0.000 0.566 204 R N 4.755 125.431 120.500 0.292 0.000 2.204 204 R HA 0.418 4.773 4.340 0.026 0.000 0.341 204 R C -0.157 176.155 176.300 0.019 0.000 1.035 204 R CA -0.247 55.951 56.100 0.164 0.000 0.887 204 R CB 0.172 30.644 30.300 0.287 0.000 1.114 204 R HN 0.557 nan 8.270 nan 0.000 0.473 205 M N 0.258 119.761 119.600 -0.161 0.000 2.792 205 M HA 0.539 5.035 4.480 0.026 0.000 0.290 205 M C 0.008 175.969 176.300 -0.566 0.000 1.155 205 M CA -0.841 54.240 55.300 -0.366 0.000 0.781 205 M CB 2.201 34.582 32.600 -0.365 0.000 1.741 205 M HN 0.633 nan 8.290 nan 0.000 0.473 206 S N -1.255 113.977 115.700 -0.780 0.000 2.615 206 S HA 0.923 5.408 4.470 0.026 0.000 0.268 206 S C -0.627 173.476 174.600 -0.828 0.000 1.146 206 S CA -0.197 57.481 58.200 -0.871 0.000 0.818 206 S CB 1.605 64.130 63.200 -1.124 0.000 1.111 206 S HN 1.540 nan 8.310 nan 0.000 0.465 207 G N -0.016 108.536 108.800 -0.413 0.000 2.353 207 G HA2 0.159 4.134 3.960 0.026 0.000 0.615 207 G HA3 0.159 4.134 3.960 0.026 0.000 0.615 207 G C -1.280 173.601 174.900 -0.032 0.000 1.280 207 G CA -0.592 44.536 45.100 0.046 0.000 1.000 207 G HN 1.243 nan 8.290 nan 0.000 0.516 208 I N 2.063 122.465 120.570 -0.280 0.000 2.241 208 I HA 0.242 4.427 4.170 0.026 0.000 0.294 208 I C 1.247 177.230 176.117 -0.224 0.000 1.145 208 I CA -0.237 60.813 61.300 -0.417 0.000 1.261 208 I CB -0.231 37.264 38.000 -0.841 0.000 1.475 208 I HN 0.489 nan 8.210 nan 0.000 0.533 209 F N 3.797 123.586 119.950 -0.269 0.000 2.765 209 F HA 0.432 4.975 4.527 0.026 0.000 0.302 209 F C 0.641 176.346 175.800 -0.157 0.000 1.111 209 F CA -0.534 57.340 58.000 -0.209 0.000 1.359 209 F CB -0.184 38.699 39.000 -0.196 0.000 1.097 209 F HN 0.136 nan 8.300 nan 0.000 0.577 210 R N 0.378 120.475 120.500 -0.671 0.000 2.888 210 R HA 0.227 4.583 4.340 0.026 0.000 0.264 210 R C -0.650 175.438 176.300 -0.354 0.000 1.045 210 R CA -1.118 54.666 56.100 -0.528 0.000 0.962 210 R CB 1.021 30.887 30.300 -0.724 0.000 1.210 210 R HN -0.013 nan 8.270 nan 0.000 0.479 211 D N 0.860 121.102 120.400 -0.264 0.000 2.474 211 D HA 0.050 4.706 4.640 0.026 0.000 0.232 211 D C -0.423 175.741 176.300 -0.227 0.000 1.177 211 D CA 0.604 54.488 54.000 -0.193 0.000 0.876 211 D CB 0.666 41.390 40.800 -0.127 0.000 1.208 211 D HN -0.022 nan 8.370 nan 0.000 0.464 212 V N 1.057 120.853 119.914 -0.198 0.000 2.588 212 V HA 0.534 4.670 4.120 0.026 0.000 0.304 212 V C -0.006 175.976 176.094 -0.187 0.000 1.042 212 V CA -0.523 61.602 62.300 -0.291 0.000 0.877 212 V CB 1.802 33.471 31.823 -0.256 0.000 0.996 212 V HN 0.795 nan 8.190 nan 0.000 0.425 213 S N 4.515 120.082 115.700 -0.223 0.000 2.638 213 S HA 0.830 5.315 4.470 0.026 0.000 0.274 213 S C -1.367 173.186 174.600 -0.078 0.000 1.157 213 S CA -0.952 57.183 58.200 -0.108 0.000 0.826 213 S CB 1.853 65.027 63.200 -0.044 0.000 1.139 213 S HN 0.453 nan 8.310 nan 0.000 0.474 214 L N 1.364 122.609 121.223 0.036 0.000 2.341 214 L HA 0.690 5.045 4.340 0.026 0.000 0.278 214 L C -1.422 175.626 176.870 0.297 0.000 1.005 214 L CA -0.880 54.064 54.840 0.173 0.000 0.818 214 L CB 1.726 43.925 42.059 0.234 0.000 1.259 214 L HN 0.681 nan 8.230 nan 0.000 0.418 215 L N 3.305 124.667 121.223 0.233 0.000 2.362 215 L HA 0.485 4.841 4.340 0.026 0.000 0.275 215 L C -0.757 176.103 176.870 -0.016 0.000 0.998 215 L CA -0.124 54.784 54.840 0.113 0.000 0.820 215 L CB 1.472 43.571 42.059 0.066 0.000 1.270 215 L HN 0.481 nan 8.230 nan 0.000 0.415 216 H N 5.306 124.131 119.070 -0.407 0.000 2.476 216 H HA 0.503 5.074 4.556 0.026 0.000 0.328 216 H C -1.313 173.789 175.328 -0.378 0.000 1.073 216 H CA -0.546 55.144 56.048 -0.596 0.000 1.229 216 H CB 1.152 30.041 29.762 -1.454 0.000 1.432 216 H HN 0.552 nan 8.280 nan 0.000 0.477 217 K N 5.586 125.607 120.400 -0.631 0.000 2.318 217 K HA 0.372 4.707 4.320 0.026 0.000 0.249 217 K C -2.750 173.606 176.600 -0.407 0.000 0.942 217 K CA -2.041 54.022 56.287 -0.374 0.000 0.808 217 K CB 2.224 34.572 32.500 -0.254 0.000 1.189 217 K HN 0.465 nan 8.250 nan 0.000 0.428 218 P HA 0.121 nan 4.420 nan 0.000 0.272 218 P C 0.555 177.785 177.300 -0.115 0.000 1.240 218 P CA -0.108 62.929 63.100 -0.104 0.000 0.791 218 P CB 0.520 32.194 31.700 -0.042 0.000 0.978 219 T N -1.015 113.498 114.554 -0.069 0.000 2.708 219 T HA -0.061 4.305 4.350 0.026 0.000 0.266 219 T C 0.630 175.295 174.700 -0.059 0.000 1.037 219 T CA 1.566 63.631 62.100 -0.059 0.000 1.146 219 T CB -0.624 68.228 68.868 -0.028 0.000 0.865 219 T HN 0.427 nan 8.240 nan 0.000 0.435 220 T N 3.734 118.261 114.554 -0.045 0.000 2.729 220 T HA 0.421 4.786 4.350 0.026 0.000 0.296 220 T C -0.121 174.544 174.700 -0.059 0.000 0.928 220 T CA -0.511 61.557 62.100 -0.052 0.000 1.045 220 T CB 0.525 69.382 68.868 -0.018 0.000 0.902 220 T HN 0.479 nan 8.240 nan 0.000 0.500 221 Q N 2.605 122.355 119.800 -0.083 0.000 2.565 221 Q HA 0.601 4.957 4.340 0.026 0.000 0.294 221 Q C -1.319 174.628 176.000 -0.088 0.000 1.005 221 Q CA -1.144 54.601 55.803 -0.098 0.000 0.771 221 Q CB 1.337 29.993 28.738 -0.136 0.000 1.486 221 Q HN 0.468 nan 8.270 nan 0.000 0.422 222 I N 2.505 122.995 120.570 -0.132 0.000 2.337 222 I HA 0.082 4.268 4.170 0.026 0.000 0.291 222 I C 0.632 176.664 176.117 -0.142 0.000 1.046 222 I CA -0.178 61.065 61.300 -0.096 0.000 1.324 222 I CB 1.308 39.207 38.000 -0.167 0.000 1.409 222 I HN 0.868 nan 8.210 nan 0.000 0.494 223 S N 2.551 118.272 115.700 0.036 0.000 2.511 223 S HA 0.215 4.700 4.470 0.026 0.000 0.214 223 S C 0.086 174.895 174.600 0.348 0.000 0.997 223 S CA -0.265 58.022 58.200 0.146 0.000 0.908 223 S CB 0.204 63.444 63.200 0.066 0.000 0.803 223 S HN 0.725 nan 8.310 nan 0.000 0.504 224 D N -0.297 120.318 120.400 0.358 0.000 2.766 224 D HA 0.479 5.135 4.640 0.026 0.000 0.244 224 D C -1.954 174.515 176.300 0.281 0.000 1.198 224 D CA -0.687 53.502 54.000 0.315 0.000 0.739 224 D CB 1.220 42.085 40.800 0.108 0.000 1.379 224 D HN 0.187 nan 8.370 nan 0.000 0.437 225 F N -0.309 119.704 119.950 0.104 0.000 2.635 225 F HA 0.596 5.138 4.527 0.026 0.000 0.314 225 F C -1.588 174.297 175.800 0.143 0.000 1.119 225 F CA -0.743 57.264 58.000 0.013 0.000 1.000 225 F CB 1.166 40.221 39.000 0.091 0.000 1.278 225 F HN 0.268 nan 8.300 nan 0.000 0.446 226 H N 2.286 121.435 119.070 0.131 0.000 2.529 226 H HA 0.746 5.318 4.556 0.027 0.000 0.348 226 H C -1.196 174.183 175.328 0.084 0.000 1.079 226 H CA -1.500 54.562 56.048 0.022 0.000 1.198 226 H CB 2.582 32.332 29.762 -0.019 0.000 1.521 226 H HN 0.605 nan 8.280 nan 0.000 0.514 227 V N 2.323 122.342 119.914 0.175 0.000 2.459 227 V HA 0.683 4.819 4.120 0.026 0.000 0.295 227 V C -0.189 175.901 176.094 -0.007 0.000 1.029 227 V CA -0.569 61.782 62.300 0.084 0.000 0.874 227 V CB 1.310 33.180 31.823 0.078 0.000 0.985 227 V HN 0.930 nan 8.190 nan 0.000 0.438 228 A N 3.142 125.932 122.820 -0.050 0.000 2.475 228 A HA 0.932 5.267 4.320 0.026 0.000 0.301 228 A C -0.249 177.230 177.584 -0.175 0.000 1.059 228 A CA -0.514 51.471 52.037 -0.087 0.000 0.710 228 A CB 2.105 21.078 19.000 -0.045 0.000 1.288 228 A HN 0.927 nan 8.150 nan 0.000 0.408 229 T N -0.227 114.196 114.554 -0.218 0.000 2.881 229 T HA 0.705 5.071 4.350 0.026 0.000 0.291 229 T C -0.446 173.991 174.700 -0.439 0.000 0.990 229 T CA -0.813 61.052 62.100 -0.392 0.000 0.976 229 T CB 0.895 69.427 68.868 -0.560 0.000 0.970 229 T HN 0.962 nan 8.240 nan 0.000 0.438 230 R N 1.952 122.135 120.500 -0.527 0.000 2.778 230 R HA 0.850 5.206 4.340 0.026 0.000 0.277 230 R C -1.514 174.396 176.300 -0.651 0.000 0.977 230 R CA -0.927 54.943 56.100 -0.384 0.000 0.950 230 R CB 1.216 31.434 30.300 -0.136 0.000 1.165 230 R HN 0.463 nan 8.270 nan 0.000 0.474 231 F N 0.022 119.942 119.950 -0.050 0.000 2.654 231 F HA 0.397 4.938 4.527 0.024 0.000 0.334 231 F C 0.258 175.911 175.800 -0.244 0.000 1.078 231 F CA -1.263 56.650 58.000 -0.145 0.000 0.986 231 F CB 0.838 39.682 39.000 -0.259 0.000 1.362 231 F HN 0.644 nan 8.300 nan 0.000 0.498 232 N N -0.170 118.504 118.700 -0.044 0.000 2.447 232 N HA 0.107 4.863 4.740 0.026 0.000 0.271 232 N C 0.308 175.667 175.510 -0.251 0.000 1.226 232 N CA -0.186 52.802 53.050 -0.104 0.000 0.980 232 N CB 0.304 38.766 38.487 -0.042 0.000 1.206 232 N HN 0.671 nan 8.380 nan 0.000 0.558 233 D N -0.640 119.667 120.400 -0.154 0.000 2.149 233 D HA -0.287 4.369 4.640 0.026 0.000 0.194 233 D C 0.576 176.816 176.300 -0.099 0.000 1.001 233 D CA 1.917 55.836 54.000 -0.134 0.000 0.849 233 D CB -0.540 40.241 40.800 -0.032 0.000 0.939 233 D HN 0.759 nan 8.370 nan 0.000 0.449 234 D N -1.227 119.168 120.400 -0.009 0.000 2.368 234 D HA -0.029 4.626 4.640 0.026 0.000 0.218 234 D C 0.072 176.561 176.300 0.314 0.000 1.112 234 D CA -0.816 53.287 54.000 0.172 0.000 0.834 234 D CB -0.948 39.927 40.800 0.125 0.000 0.953 234 D HN 0.261 nan 8.370 nan 0.000 0.505 235 F N 0.689 120.684 119.950 0.074 0.000 3.100 235 F HA -0.273 4.269 4.527 0.024 0.000 0.283 235 F C 1.515 177.380 175.800 0.109 0.000 0.900 235 F CA 0.841 58.897 58.000 0.092 0.000 1.010 235 F CB -2.638 36.316 39.000 -0.075 0.000 1.029 235 F HN 0.201 nan 8.300 nan 0.000 0.637 236 S N -1.437 114.374 115.700 0.185 0.000 2.548 236 S HA 0.351 4.837 4.470 0.026 0.000 0.215 236 S C 0.566 175.220 174.600 0.092 0.000 0.976 236 S CA -0.134 58.142 58.200 0.126 0.000 0.908 236 S CB 0.474 63.725 63.200 0.085 0.000 0.781 236 S HN 0.473 nan 8.310 nan 0.000 0.519 237 R N 0.079 120.643 120.500 0.106 0.000 2.626 237 R HA 0.782 5.138 4.340 0.026 0.000 0.274 237 R C -1.425 174.916 176.300 0.069 0.000 1.031 237 R CA -0.291 55.840 56.100 0.052 0.000 0.898 237 R CB 2.201 32.508 30.300 0.013 0.000 1.222 237 R HN 0.236 nan 8.270 nan 0.000 0.455 238 A N 1.661 124.471 122.820 -0.017 0.000 2.556 238 A HA 0.772 5.108 4.320 0.026 0.000 0.294 238 A C -1.356 176.155 177.584 -0.122 0.000 1.091 238 A CA -0.692 51.259 52.037 -0.143 0.000 0.704 238 A CB 2.031 20.926 19.000 -0.176 0.000 1.300 238 A HN 0.323 nan 8.150 nan 0.000 0.406 239 V N 1.581 121.391 119.914 -0.173 0.000 2.444 239 V HA 0.450 4.585 4.120 0.026 0.000 0.294 239 V C -0.459 175.571 176.094 -0.107 0.000 1.022 239 V CA -0.357 61.881 62.300 -0.103 0.000 0.850 239 V CB 1.389 33.153 31.823 -0.099 0.000 0.992 239 V HN 0.813 nan 8.190 nan 0.000 0.426 240 L N 4.318 125.518 121.223 -0.039 0.000 2.275 240 L HA 0.608 4.964 4.340 0.026 0.000 0.288 240 L C 0.010 176.842 176.870 -0.063 0.000 1.046 240 L CA 0.015 54.812 54.840 -0.072 0.000 0.805 240 L CB 1.106 43.158 42.059 -0.011 0.000 1.193 240 L HN 0.783 nan 8.230 nan 0.000 0.426 241 E N 4.289 124.446 120.200 -0.072 0.000 2.165 241 E HA 0.629 4.995 4.350 0.026 0.000 0.266 241 E C -1.350 175.244 176.600 -0.010 0.000 0.889 241 E CA -0.736 55.640 56.400 -0.039 0.000 0.756 241 E CB 1.670 31.346 29.700 -0.040 0.000 1.131 241 E HN 0.716 nan 8.360 nan 0.000 0.411 242 A N 4.716 127.539 122.820 0.004 0.000 2.310 242 A HA 0.286 4.621 4.320 0.026 0.000 0.304 242 A C -0.627 176.976 177.584 0.031 0.000 1.231 242 A CA -0.644 51.420 52.037 0.044 0.000 0.799 242 A CB 0.989 20.013 19.000 0.041 0.000 1.162 242 A HN 0.721 nan 8.150 nan 0.000 0.486 243 E N 2.515 122.740 120.200 0.041 0.000 2.200 243 E HA 0.522 4.888 4.350 0.026 0.000 0.283 243 E C -1.265 175.327 176.600 -0.012 0.000 1.015 243 E CA -0.305 56.085 56.400 -0.018 0.000 0.819 243 E CB 1.054 30.713 29.700 -0.069 0.000 1.081 243 E HN 0.389 nan 8.360 nan 0.000 0.397 244 V N 4.832 124.752 119.914 0.009 0.000 2.540 244 V HA 0.288 4.424 4.120 0.026 0.000 0.302 244 V C -0.491 175.684 176.094 0.134 0.000 1.035 244 V CA -0.824 61.525 62.300 0.081 0.000 0.873 244 V CB 1.692 33.547 31.823 0.054 0.000 0.992 244 V HN 0.729 nan 8.190 nan 0.000 0.428 245 Q N 4.165 124.038 119.800 0.122 0.000 2.345 245 Q HA 0.841 5.197 4.340 0.026 0.000 0.268 245 Q C -0.760 175.297 176.000 0.095 0.000 1.054 245 Q CA -0.875 54.985 55.803 0.096 0.000 0.835 245 Q CB 2.691 31.415 28.738 -0.024 0.000 1.339 245 Q HN 0.818 nan 8.270 nan 0.000 0.447 246 M N -0.826 118.742 119.600 -0.054 0.000 2.727 246 M HA 0.792 5.287 4.480 0.026 0.000 0.300 246 M C -1.388 174.800 176.300 -0.186 0.000 1.246 246 M CA -0.537 54.658 55.300 -0.176 0.000 0.835 246 M CB 1.676 33.959 32.600 -0.528 0.000 1.755 246 M HN 0.545 nan 8.290 nan 0.000 0.473 247 C N 0.667 119.875 119.300 -0.153 0.000 2.797 247 C HA 1.031 5.507 4.460 0.026 0.000 0.306 247 C C 0.408 175.323 174.990 -0.126 0.000 1.207 247 C CA 0.517 59.465 59.018 -0.116 0.000 1.507 247 C CB 1.076 28.779 27.740 -0.062 0.000 2.028 247 C HN 1.439 nan 8.230 nan 0.000 0.475 248 G N 1.757 110.491 108.800 -0.109 0.000 2.373 248 G HA2 0.070 4.045 3.960 0.026 0.000 0.634 248 G HA3 0.070 4.045 3.960 0.026 0.000 0.634 248 G C -1.115 173.719 174.900 -0.110 0.000 1.267 248 G CA -0.592 44.451 45.100 -0.094 0.000 1.008 248 G HN 0.933 nan 8.290 nan 0.000 0.497 249 E N -0.170 119.977 120.200 -0.089 0.000 2.290 249 E HA 0.404 4.770 4.350 0.026 0.000 0.277 249 E C 0.318 176.833 176.600 -0.142 0.000 1.035 249 E CA -0.425 55.918 56.400 -0.095 0.000 0.873 249 E CB 0.318 29.981 29.700 -0.060 0.000 1.029 249 E HN 0.438 nan 8.360 nan 0.000 0.419 250 L N 4.537 125.664 121.223 -0.160 0.000 2.367 250 L HA 0.319 4.675 4.340 0.026 0.000 0.275 250 L C 0.238 176.986 176.870 -0.204 0.000 1.129 250 L CA -0.027 54.696 54.840 -0.195 0.000 0.839 250 L CB 0.718 42.676 42.059 -0.168 0.000 1.133 250 L HN 0.477 nan 8.230 nan 0.000 0.453 251 R N 0.875 121.206 120.500 -0.281 0.000 2.725 251 R HA 0.230 4.586 4.340 0.026 0.000 0.277 251 R C 0.205 176.266 176.300 -0.397 0.000 0.987 251 R CA -0.555 55.263 56.100 -0.470 0.000 0.901 251 R CB 1.364 31.056 30.300 -1.014 0.000 1.207 251 R HN 0.461 nan 8.270 nan 0.000 0.463 252 D N 1.366 121.586 120.400 -0.300 0.000 2.263 252 D HA -0.163 4.493 4.640 0.026 0.000 0.208 252 D C 1.103 177.365 176.300 -0.064 0.000 0.971 252 D CA 1.426 55.351 54.000 -0.125 0.000 0.867 252 D CB 0.146 40.918 40.800 -0.047 0.000 0.929 252 D HN 0.598 nan 8.370 nan 0.000 0.492 253 Y N -0.144 120.170 120.300 0.023 0.000 2.529 253 Y HA 0.286 4.852 4.550 0.026 0.000 0.290 253 Y C 0.813 176.716 175.900 0.004 0.000 1.177 253 Y CA -0.552 57.557 58.100 0.014 0.000 1.305 253 Y CB -0.895 37.574 38.460 0.016 0.000 1.047 253 Y HN -0.198 nan 8.280 nan 0.000 0.522 254 L N 2.733 123.991 121.223 0.058 0.000 2.439 254 L HA 0.305 4.660 4.340 0.026 0.000 0.269 254 L C 0.213 177.071 176.870 -0.021 0.000 1.179 254 L CA -0.031 54.874 54.840 0.108 0.000 0.828 254 L CB 0.528 42.682 42.059 0.158 0.000 1.106 254 L HN 0.182 nan 8.230 nan 0.000 0.467 255 R N 1.975 122.337 120.500 -0.230 0.000 2.774 255 R HA 0.654 5.010 4.340 0.026 0.000 0.272 255 R C -1.555 174.369 176.300 -0.627 0.000 1.000 255 R CA -0.785 55.024 56.100 -0.486 0.000 0.906 255 R CB 2.273 32.195 30.300 -0.630 0.000 1.227 255 R HN 0.265 nan 8.270 nan 0.000 0.468 256 V N 1.200 120.816 119.914 -0.497 0.000 2.531 256 V HA 0.456 4.591 4.120 0.026 0.000 0.301 256 V C -0.402 175.630 176.094 -0.103 0.000 1.034 256 V CA -0.535 61.572 62.300 -0.321 0.000 0.865 256 V CB 2.247 33.806 31.823 -0.442 0.000 0.995 256 V HN 0.720 nan 8.190 nan 0.000 0.424 257 T N 4.289 118.888 114.554 0.076 0.000 2.812 257 T HA 0.616 4.982 4.350 0.026 0.000 0.282 257 T C -0.601 174.115 174.700 0.026 0.000 0.990 257 T CA -0.375 61.782 62.100 0.095 0.000 0.960 257 T CB 1.676 70.644 68.868 0.168 0.000 0.948 257 T HN 0.335 nan 8.240 nan 0.000 0.438 258 V N 3.886 123.799 119.914 -0.001 0.000 2.409 258 V HA 0.673 4.809 4.120 0.026 0.000 0.291 258 V C -0.012 176.091 176.094 0.016 0.000 1.020 258 V CA -0.791 61.506 62.300 -0.005 0.000 0.848 258 V CB 1.634 33.442 31.823 -0.025 0.000 0.990 258 V HN 1.042 nan 8.190 nan 0.000 0.430 259 S N 5.242 120.983 115.700 0.068 0.000 2.513 259 S HA 0.857 5.343 4.470 0.026 0.000 0.299 259 S C -1.102 173.563 174.600 0.109 0.000 1.087 259 S CA -0.767 57.464 58.200 0.051 0.000 1.012 259 S CB 2.148 65.439 63.200 0.152 0.000 1.044 259 S HN 0.554 nan 8.310 nan 0.000 0.485 260 L N 2.464 123.656 121.223 -0.052 0.000 2.322 260 L HA 0.807 5.162 4.340 0.026 0.000 0.281 260 L C -1.943 174.904 176.870 -0.039 0.000 1.014 260 L CA -0.335 54.563 54.840 0.097 0.000 0.815 260 L CB 0.831 42.951 42.059 0.102 0.000 1.247 260 L HN 0.886 nan 8.230 nan 0.000 0.421 261 W N 3.726 125.133 121.300 0.178 0.000 2.736 261 W HA 0.567 5.243 4.660 0.026 0.000 0.335 261 W C -0.375 176.232 176.519 0.147 0.000 1.059 261 W CA -0.511 56.913 57.345 0.132 0.000 1.226 261 W CB 1.323 30.808 29.460 0.043 0.000 1.416 261 W HN 0.343 nan 8.180 nan 0.000 0.505 262 Q N 2.647 122.582 119.800 0.226 0.000 2.700 262 Q HA 0.443 4.799 4.340 0.026 0.000 0.249 262 Q C 0.513 176.511 176.000 -0.002 0.000 1.033 262 Q CA 0.516 56.252 55.803 -0.111 0.000 0.804 262 Q CB 0.641 29.221 28.738 -0.263 0.000 1.164 262 Q HN 0.843 nan 8.270 nan 0.000 0.500 263 G N 3.104 111.929 108.800 0.040 0.000 2.498 263 G HA2 -0.314 3.662 3.960 0.026 0.000 0.251 263 G HA3 -0.314 3.662 3.960 0.026 0.000 0.251 263 G C 0.331 175.307 174.900 0.126 0.000 1.170 263 G CA 0.175 45.300 45.100 0.042 0.000 0.944 263 G HN 0.501 nan 8.290 nan 0.000 0.567 264 E N 1.108 121.376 120.200 0.112 0.000 2.489 264 E HA 0.277 4.643 4.350 0.026 0.000 0.193 264 E C 1.035 177.838 176.600 0.338 0.000 1.057 264 E CA 0.891 57.389 56.400 0.164 0.000 0.866 264 E CB 0.139 29.885 29.700 0.077 0.000 0.916 264 E HN 0.476 nan 8.360 nan 0.000 0.500 265 T N 1.048 115.759 114.554 0.262 0.000 2.743 265 T HA 0.156 4.521 4.350 0.026 0.000 0.293 265 T C -0.189 174.547 174.700 0.060 0.000 0.945 265 T CA -0.480 61.713 62.100 0.155 0.000 1.030 265 T CB 1.125 70.024 68.868 0.052 0.000 0.912 265 T HN 0.022 nan 8.240 nan 0.000 0.483 266 Q N 3.130 122.727 119.800 -0.338 0.000 2.295 266 Q HA 0.266 4.622 4.340 0.026 0.000 0.259 266 Q C 0.976 176.710 176.000 -0.443 0.000 0.976 266 Q CA -0.521 54.696 55.803 -0.976 0.000 0.923 266 Q CB 0.803 28.601 28.738 -1.566 0.000 1.185 266 Q HN 0.690 nan 8.270 nan 0.000 0.410 267 V N 1.154 120.891 119.914 -0.295 0.000 2.992 267 V HA 0.529 4.665 4.120 0.026 0.000 0.250 267 V C 0.406 176.405 176.094 -0.158 0.000 1.090 267 V CA 0.781 63.001 62.300 -0.133 0.000 1.101 267 V CB -0.143 31.694 31.823 0.022 0.000 0.743 267 V HN 0.670 nan 8.190 nan 0.000 0.468 268 A N -0.823 121.868 122.820 -0.214 0.000 2.608 268 A HA 0.801 5.136 4.320 0.026 0.000 0.292 268 A C -0.707 176.767 177.584 -0.184 0.000 1.066 268 A CA 0.246 52.185 52.037 -0.163 0.000 0.676 268 A CB 1.530 20.472 19.000 -0.096 0.000 1.277 268 A HN 0.663 nan 8.150 nan 0.000 0.413 269 S N -0.764 114.858 115.700 -0.130 0.000 2.537 269 S HA 0.819 5.305 4.470 0.026 0.000 0.270 269 S C -0.580 173.984 174.600 -0.060 0.000 1.142 269 S CA 0.236 58.377 58.200 -0.097 0.000 0.870 269 S CB 1.699 64.831 63.200 -0.113 0.000 1.112 269 S HN 2.361 nan 8.310 nan 0.000 0.466 270 G N 1.760 110.537 108.800 -0.038 0.000 2.746 270 G HA2 0.628 4.604 3.960 0.026 0.000 0.297 270 G HA3 0.628 4.604 3.960 0.026 0.000 0.297 270 G C -1.344 173.544 174.900 -0.020 0.000 1.426 270 G CA -0.412 44.668 45.100 -0.032 0.000 0.989 270 G HN 0.723 nan 8.290 nan 0.000 0.520 271 T N -0.179 114.365 114.554 -0.017 0.000 2.907 271 T HA 0.897 5.263 4.350 0.026 0.000 0.292 271 T C -0.302 174.368 174.700 -0.050 0.000 1.043 271 T CA -0.019 62.075 62.100 -0.010 0.000 1.003 271 T CB 1.908 70.803 68.868 0.045 0.000 1.084 271 T HN 1.701 nan 8.240 nan 0.000 0.483 272 A N 2.901 125.660 122.820 -0.102 0.000 2.599 272 A HA 0.853 5.189 4.320 0.026 0.000 0.294 272 A C -3.131 174.329 177.584 -0.207 0.000 1.055 272 A CA -1.396 50.567 52.037 -0.124 0.000 0.683 272 A CB 1.166 20.096 19.000 -0.117 0.000 1.278 272 A HN 0.543 nan 8.150 nan 0.000 0.412 273 P HA 0.571 nan 4.420 nan 0.000 0.278 273 P C -0.643 176.543 177.300 -0.190 0.000 1.266 273 P CA -0.319 62.687 63.100 -0.156 0.000 0.807 273 P CB 0.454 32.125 31.700 -0.048 0.000 1.094 274 F N -0.208 119.708 119.950 -0.057 0.000 2.459 274 F HA 0.466 5.009 4.527 0.026 0.000 0.346 274 F C 1.461 177.246 175.800 -0.025 0.000 1.128 274 F CA 1.561 59.536 58.000 -0.041 0.000 1.268 274 F CB 0.137 39.108 39.000 -0.048 0.000 1.161 274 F HN 0.589 nan 8.300 nan 0.000 0.583 275 G N 1.649 110.574 108.800 0.209 0.000 2.789 275 G HA2 0.388 4.363 3.960 0.026 0.000 0.353 275 G HA3 0.388 4.363 3.960 0.026 0.000 0.353 275 G C -0.507 174.448 174.900 0.092 0.000 1.220 275 G CA -0.710 44.464 45.100 0.124 0.000 1.204 275 G HN 1.024 nan 8.290 nan 0.000 0.574 276 G N 0.601 109.473 108.800 0.120 0.000 2.547 276 G HA2 0.625 4.601 3.960 0.026 0.000 0.291 276 G HA3 0.625 4.601 3.960 0.026 0.000 0.291 276 G C 0.120 175.065 174.900 0.074 0.000 1.211 276 G CA -0.543 44.618 45.100 0.102 0.000 0.950 276 G HN 0.556 nan 8.290 nan 0.000 0.504 277 E N -0.827 119.409 120.200 0.059 0.000 2.409 277 E HA 0.069 4.434 4.350 0.026 0.000 0.257 277 E C 0.247 176.871 176.600 0.039 0.000 1.150 277 E CA -0.291 56.132 56.400 0.038 0.000 0.942 277 E CB 0.966 30.684 29.700 0.029 0.000 0.979 277 E HN 0.141 nan 8.360 nan 0.000 0.447 278 I N 2.271 122.852 120.570 0.018 0.000 2.683 278 I HA -0.173 4.013 4.170 0.026 0.000 0.286 278 I C 1.514 177.638 176.117 0.011 0.000 1.175 278 I CA 0.594 61.897 61.300 0.004 0.000 1.429 278 I CB 0.133 38.130 38.000 -0.004 0.000 1.371 278 I HN 0.415 nan 8.210 nan 0.000 0.569 279 I N 3.728 124.296 120.570 -0.002 0.000 3.300 279 I HA 0.118 4.303 4.170 0.026 0.000 0.279 279 I C 0.483 176.597 176.117 -0.006 0.000 1.172 279 I CA 0.759 62.066 61.300 0.012 0.000 1.431 279 I CB -0.815 37.197 38.000 0.021 0.000 1.240 279 I HN 0.700 nan 8.210 nan 0.000 0.453 280 D N -1.238 119.144 120.400 -0.030 0.000 3.057 280 D HA 0.145 4.801 4.640 0.026 0.000 0.328 280 D C 0.424 176.705 176.300 -0.031 0.000 1.317 280 D CA -0.423 53.561 54.000 -0.026 0.000 0.973 280 D CB 0.497 41.279 40.800 -0.029 0.000 1.424 280 D HN -0.285 nan 8.370 nan 0.000 0.569 281 E N -1.069 119.115 120.200 -0.027 0.000 2.265 281 E HA -0.022 4.344 4.350 0.026 0.000 0.196 281 E C 1.190 177.770 176.600 -0.034 0.000 0.996 281 E CA 0.868 57.253 56.400 -0.025 0.000 0.832 281 E CB -0.010 29.679 29.700 -0.020 0.000 0.756 281 E HN 0.187 nan 8.360 nan 0.000 0.491 282 R N -0.156 120.314 120.500 -0.049 0.000 2.388 282 R HA 0.284 4.639 4.340 0.026 0.000 0.247 282 R C 0.763 177.019 176.300 -0.074 0.000 0.931 282 R CA 0.640 56.704 56.100 -0.060 0.000 1.082 282 R CB 0.338 30.596 30.300 -0.070 0.000 1.135 282 R HN 0.215 nan 8.270 nan 0.000 0.525 283 G N -0.487 108.273 108.800 -0.067 0.000 2.516 283 G HA2 -0.182 3.794 3.960 0.026 0.000 0.220 283 G HA3 -0.182 3.794 3.960 0.026 0.000 0.220 283 G C -0.045 174.800 174.900 -0.091 0.000 1.165 283 G CA -0.569 44.491 45.100 -0.066 0.000 1.013 283 G HN 0.520 nan 8.290 nan 0.000 0.590 284 G N -2.171 106.570 108.800 -0.098 0.000 3.086 284 G HA2 0.638 4.614 3.960 0.026 0.000 0.282 284 G HA3 0.638 4.614 3.960 0.026 0.000 0.282 284 G C -1.600 173.193 174.900 -0.177 0.000 1.343 284 G CA -0.606 44.430 45.100 -0.106 0.000 0.895 284 G HN 0.808 nan 8.290 nan 0.000 0.557 285 Y N 1.140 121.448 120.300 0.013 0.000 2.477 285 Y HA 0.445 5.010 4.550 0.025 0.000 0.349 285 Y C 1.429 177.345 175.900 0.027 0.000 0.977 285 Y CA 0.167 58.277 58.100 0.015 0.000 1.214 285 Y CB 1.632 40.105 38.460 0.022 0.000 1.124 285 Y HN 0.540 nan 8.280 nan 0.000 0.521 286 A N 1.806 124.694 122.820 0.114 0.000 2.066 286 A HA -0.131 4.204 4.320 0.026 0.000 0.218 286 A C 1.375 179.007 177.584 0.080 0.000 1.157 286 A CA 1.383 53.468 52.037 0.079 0.000 0.670 286 A CB -0.252 18.756 19.000 0.014 0.000 0.804 286 A HN 0.771 nan 8.150 nan 0.000 0.453 287 D N -0.837 119.606 120.400 0.072 0.000 2.395 287 D HA 0.154 4.810 4.640 0.026 0.000 0.226 287 D C 0.429 176.760 176.300 0.052 0.000 1.146 287 D CA -0.061 53.889 54.000 -0.084 0.000 0.830 287 D CB -0.051 40.688 40.800 -0.101 0.000 0.958 287 D HN 0.386 nan 8.370 nan 0.000 0.501 288 R N -0.923 119.743 120.500 0.276 0.000 2.799 288 R HA 0.751 5.106 4.340 0.026 0.000 0.270 288 R C -1.665 174.805 176.300 0.283 0.000 1.010 288 R CA -1.135 55.138 56.100 0.287 0.000 0.916 288 R CB 3.005 33.344 30.300 0.065 0.000 1.228 288 R HN -0.022 nan 8.270 nan 0.000 0.469 289 V N 0.300 120.287 119.914 0.122 0.000 3.077 289 V HA 0.503 4.639 4.120 0.026 0.000 0.299 289 V C -1.584 174.485 176.094 -0.041 0.000 1.276 289 V CA -0.287 62.004 62.300 -0.016 0.000 0.993 289 V CB 2.793 34.488 31.823 -0.212 0.000 1.076 289 V HN 0.813 nan 8.190 nan 0.000 0.434 290 T N 7.147 121.678 114.554 -0.038 0.000 2.809 290 T HA 0.601 4.966 4.350 0.026 0.000 0.284 290 T C -0.991 173.684 174.700 -0.043 0.000 0.992 290 T CA -0.404 61.676 62.100 -0.032 0.000 0.957 290 T CB 1.055 69.915 68.868 -0.015 0.000 0.942 290 T HN 0.443 nan 8.240 nan 0.000 0.439 291 L N 3.647 124.844 121.223 -0.044 0.000 2.322 291 L HA 0.598 4.954 4.340 0.026 0.000 0.279 291 L C 0.446 177.296 176.870 -0.034 0.000 1.036 291 L CA -0.467 54.346 54.840 -0.045 0.000 0.807 291 L CB 1.332 43.361 42.059 -0.050 0.000 1.226 291 L HN 0.542 nan 8.230 nan 0.000 0.433 292 R N 4.055 124.534 120.500 -0.035 0.000 2.513 292 R HA 0.705 5.060 4.340 0.026 0.000 0.301 292 R C -1.189 175.090 176.300 -0.035 0.000 0.968 292 R CA -0.724 55.355 56.100 -0.035 0.000 0.872 292 R CB 2.231 32.510 30.300 -0.035 0.000 1.177 292 R HN 0.474 nan 8.270 nan 0.000 0.444 293 L N 2.553 123.756 121.223 -0.033 0.000 2.341 293 L HA 0.454 4.810 4.340 0.026 0.000 0.278 293 L C -0.224 176.625 176.870 -0.035 0.000 1.005 293 L CA -0.858 53.962 54.840 -0.033 0.000 0.818 293 L CB 2.055 44.100 42.059 -0.025 0.000 1.259 293 L HN 0.543 nan 8.230 nan 0.000 0.418 294 N N 1.536 120.208 118.700 -0.045 0.000 2.499 294 N HA 0.471 5.226 4.740 0.026 0.000 0.281 294 N C -1.142 174.327 175.510 -0.069 0.000 1.098 294 N CA -0.501 52.518 53.050 -0.052 0.000 0.979 294 N CB 2.080 40.539 38.487 -0.048 0.000 1.121 294 N HN 0.185 nan 8.380 nan 0.000 0.466 295 V N 1.912 121.772 119.914 -0.091 0.000 2.447 295 V HA 0.215 4.350 4.120 0.026 0.000 0.292 295 V C -0.550 175.467 176.094 -0.127 0.000 1.021 295 V CA -0.713 61.494 62.300 -0.155 0.000 0.850 295 V CB 1.415 33.038 31.823 -0.333 0.000 1.005 295 V HN 0.606 nan 8.190 nan 0.000 0.426 296 E N 3.793 123.941 120.200 -0.087 0.000 2.283 296 E HA 0.424 4.790 4.350 0.026 0.000 0.278 296 E C 0.343 176.920 176.600 -0.038 0.000 1.027 296 E CA -0.061 56.311 56.400 -0.046 0.000 0.843 296 E CB 0.360 30.043 29.700 -0.029 0.000 1.062 296 E HN 0.593 nan 8.360 nan 0.000 0.401 297 N N 2.154 120.852 118.700 -0.003 0.000 2.705 297 N HA -0.130 4.625 4.740 0.026 0.000 0.255 297 N C -2.350 173.162 175.510 0.002 0.000 1.008 297 N CA 0.378 53.440 53.050 0.020 0.000 0.742 297 N CB -1.249 37.251 38.487 0.021 0.000 0.906 297 N HN 0.386 nan 8.380 nan 0.000 0.541 298 P HA 0.052 nan 4.420 nan 0.000 0.271 298 P C -0.117 177.211 177.300 0.046 0.000 1.216 298 P CA 0.218 63.227 63.100 -0.152 0.000 0.776 298 P CB 0.821 32.215 31.700 -0.510 0.000 0.881 299 K N 2.885 123.403 120.400 0.196 0.000 2.338 299 K HA 0.266 4.601 4.320 0.026 0.000 0.290 299 K C 0.252 177.013 176.600 0.269 0.000 1.069 299 K CA -0.358 56.046 56.287 0.194 0.000 0.941 299 K CB 0.047 32.641 32.500 0.157 0.000 1.023 299 K HN 0.418 nan 8.250 nan 0.000 0.477 300 L N 2.676 123.982 121.223 0.138 0.000 2.397 300 L HA 0.209 4.564 4.340 0.026 0.000 0.271 300 L C 0.105 177.044 176.870 0.115 0.000 1.148 300 L CA -0.613 54.300 54.840 0.121 0.000 0.825 300 L CB 0.274 42.243 42.059 -0.149 0.000 1.117 300 L HN 0.602 nan 8.230 nan 0.000 0.456 301 W N 3.736 125.065 121.300 0.048 0.000 2.376 301 W HA 0.480 5.155 4.660 0.025 0.000 0.322 301 W C 0.060 176.544 176.519 -0.059 0.000 1.160 301 W CA 0.178 57.545 57.345 0.038 0.000 1.218 301 W CB 1.267 30.800 29.460 0.123 0.000 1.205 301 W HN 0.640 nan 8.180 nan 0.000 0.559 302 S N 2.878 117.987 115.700 -0.984 0.000 2.615 302 S HA 0.580 5.066 4.470 0.026 0.000 0.268 302 S C -0.002 173.839 174.600 -1.264 0.000 1.146 302 S CA -0.364 57.342 58.200 -0.824 0.000 0.818 302 S CB 0.928 63.937 63.200 -0.319 0.000 1.111 302 S HN 1.066 nan 8.310 nan 0.000 0.465 303 A N 0.461 122.720 122.820 -0.935 0.000 2.067 303 A HA 0.089 4.425 4.320 0.026 0.000 0.219 303 A C 1.740 179.013 177.584 -0.519 0.000 1.158 303 A CA 1.465 52.955 52.037 -0.911 0.000 0.661 303 A CB -0.913 17.387 19.000 -1.166 0.000 0.801 303 A HN 0.857 nan 8.150 nan 0.000 0.452 304 E N -0.687 119.338 120.200 -0.293 0.000 2.028 304 E HA -0.004 4.362 4.350 0.026 0.000 0.190 304 E C -0.250 176.215 176.600 -0.225 0.000 0.984 304 E CA 0.596 56.884 56.400 -0.187 0.000 0.800 304 E CB 0.047 29.769 29.700 0.037 0.000 0.758 304 E HN 0.407 nan 8.360 nan 0.000 0.448 305 I N 2.018 122.443 120.570 -0.241 0.000 2.495 305 I HA 0.152 4.338 4.170 0.026 0.000 0.277 305 I C -2.429 173.479 176.117 -0.348 0.000 1.045 305 I CA -2.378 58.796 61.300 -0.210 0.000 1.135 305 I CB 1.228 39.156 38.000 -0.120 0.000 1.241 305 I HN -0.142 nan 8.210 nan 0.000 0.469 306 P HA 0.057 nan 4.420 nan 0.000 0.232 306 P C -0.218 177.072 177.300 -0.017 0.000 1.738 306 P CA -0.240 62.590 63.100 -0.450 0.000 0.948 306 P CB -0.218 31.353 31.700 -0.214 0.000 1.943 307 N N 1.655 120.372 118.700 0.028 0.000 2.454 307 N HA 0.126 4.882 4.740 0.026 0.000 0.260 307 N C 0.137 175.887 175.510 0.399 0.000 1.218 307 N CA 0.477 53.627 53.050 0.167 0.000 0.904 307 N CB 0.785 39.365 38.487 0.155 0.000 1.065 307 N HN 0.326 nan 8.380 nan 0.000 0.462 308 L N 2.260 123.644 121.223 0.269 0.000 2.388 308 L HA 0.470 4.825 4.340 0.026 0.000 0.264 308 L C -0.909 176.086 176.870 0.208 0.000 0.998 308 L CA -0.854 54.188 54.840 0.338 0.000 0.817 308 L CB 1.352 43.566 42.059 0.257 0.000 1.338 308 L HN 0.380 nan 8.230 nan 0.000 0.414 309 Y N 0.377 120.831 120.300 0.256 0.000 2.650 309 Y HA 0.676 5.242 4.550 0.027 0.000 0.331 309 Y C -0.199 175.823 175.900 0.204 0.000 1.082 309 Y CA -0.910 57.343 58.100 0.255 0.000 1.171 309 Y CB 1.631 40.313 38.460 0.370 0.000 1.326 309 Y HN 0.373 nan 8.280 nan 0.000 0.513 310 R N 1.034 121.764 120.500 0.383 0.000 2.480 310 R HA 0.799 5.155 4.340 0.026 0.000 0.306 310 R C -1.650 174.832 176.300 0.303 0.000 0.958 310 R CA -0.574 55.679 56.100 0.255 0.000 0.861 310 R CB 1.038 31.419 30.300 0.135 0.000 1.171 310 R HN 0.737 nan 8.270 nan 0.000 0.445 311 A N 3.875 126.817 122.820 0.203 0.000 2.276 311 A HA 0.623 4.958 4.320 0.026 0.000 0.316 311 A C -1.025 176.608 177.584 0.082 0.000 1.229 311 A CA -0.638 51.499 52.037 0.166 0.000 0.851 311 A CB 1.248 20.314 19.000 0.109 0.000 1.165 311 A HN 0.485 nan 8.150 nan 0.000 0.513 312 V N 3.621 123.591 119.914 0.094 0.000 2.409 312 V HA 0.351 4.487 4.120 0.026 0.000 0.291 312 V C -0.359 175.705 176.094 -0.050 0.000 1.020 312 V CA -0.477 61.818 62.300 -0.008 0.000 0.848 312 V CB 1.610 33.439 31.823 0.010 0.000 0.990 312 V HN 0.622 nan 8.190 nan 0.000 0.430 313 V N 5.022 124.840 119.914 -0.161 0.000 2.328 313 V HA 0.403 4.539 4.120 0.026 0.000 0.278 313 V C 0.024 176.061 176.094 -0.096 0.000 1.021 313 V CA -0.567 61.620 62.300 -0.187 0.000 0.838 313 V CB 1.117 32.680 31.823 -0.433 0.000 0.999 313 V HN 0.906 nan 8.190 nan 0.000 0.447 314 E N 4.036 124.230 120.200 -0.010 0.000 2.151 314 E HA 0.492 4.857 4.350 0.026 0.000 0.275 314 E C -0.991 175.695 176.600 0.143 0.000 0.936 314 E CA -0.841 55.602 56.400 0.072 0.000 0.777 314 E CB 2.442 32.200 29.700 0.097 0.000 1.108 314 E HN 0.462 nan 8.360 nan 0.000 0.401 315 L N 4.659 125.948 121.223 0.109 0.000 2.272 315 L HA 0.400 4.756 4.340 0.026 0.000 0.289 315 L C -0.892 176.077 176.870 0.165 0.000 1.032 315 L CA 0.115 55.009 54.840 0.089 0.000 0.810 315 L CB 0.119 42.224 42.059 0.077 0.000 1.205 315 L HN 0.687 nan 8.230 nan 0.000 0.422 316 H N 0.206 119.310 119.070 0.056 0.000 2.928 316 H HA 0.787 5.358 4.556 0.026 0.000 0.285 316 H C -0.849 174.540 175.328 0.103 0.000 1.438 316 H CA -0.506 55.579 56.048 0.061 0.000 1.176 316 H CB 0.784 30.564 29.762 0.029 0.000 1.864 316 H HN 0.506 nan 8.280 nan 0.000 0.567 317 T N -2.244 112.436 114.554 0.211 0.000 2.944 317 T HA 0.575 4.941 4.350 0.026 0.000 0.284 317 T C 1.405 176.226 174.700 0.202 0.000 1.010 317 T CA -0.398 61.808 62.100 0.176 0.000 1.025 317 T CB 1.609 70.511 68.868 0.058 0.000 1.079 317 T HN 0.948 nan 8.240 nan 0.000 0.516 318 A N 1.401 124.313 122.820 0.153 0.000 1.948 318 A HA -0.148 4.187 4.320 0.026 0.000 0.220 318 A C 1.793 179.439 177.584 0.104 0.000 1.177 318 A CA 2.209 54.324 52.037 0.129 0.000 0.636 318 A CB -1.391 17.676 19.000 0.111 0.000 0.815 318 A HN 1.035 nan 8.150 nan 0.000 0.449 319 D N -2.463 117.969 120.400 0.054 0.000 2.378 319 D HA 0.278 4.934 4.640 0.026 0.000 0.222 319 D C 1.119 177.439 176.300 0.032 0.000 0.980 319 D CA 1.070 55.084 54.000 0.023 0.000 0.907 319 D CB -0.424 40.364 40.800 -0.020 0.000 0.899 319 D HN 0.890 nan 8.370 nan 0.000 0.527 320 G N -1.139 107.708 108.800 0.077 0.000 2.134 320 G HA2 -0.217 3.759 3.960 0.026 0.000 0.209 320 G HA3 -0.217 3.759 3.960 0.026 0.000 0.209 320 G C 0.113 175.019 174.900 0.010 0.000 0.993 320 G CA 0.038 45.150 45.100 0.021 0.000 0.669 320 G HN 0.378 nan 8.290 nan 0.000 0.519 321 T N 1.568 116.156 114.554 0.057 0.000 2.728 321 T HA 0.505 4.871 4.350 0.026 0.000 0.296 321 T C 0.363 175.117 174.700 0.090 0.000 0.940 321 T CA -0.276 61.850 62.100 0.043 0.000 1.013 321 T CB 1.732 70.612 68.868 0.020 0.000 0.912 321 T HN 0.548 nan 8.240 nan 0.000 0.484 322 L N 5.478 126.734 121.223 0.056 0.000 2.416 322 L HA 0.215 4.571 4.340 0.026 0.000 0.272 322 L C 0.806 177.722 176.870 0.078 0.000 1.161 322 L CA 0.229 55.116 54.840 0.079 0.000 0.845 322 L CB 0.070 42.147 42.059 0.030 0.000 1.119 322 L HN 0.534 nan 8.230 nan 0.000 0.464 323 I N 2.505 123.133 120.570 0.097 0.000 2.499 323 I HA 0.171 4.357 4.170 0.026 0.000 0.243 323 I C 0.619 176.761 176.117 0.042 0.000 1.085 323 I CA 0.829 62.168 61.300 0.066 0.000 1.422 323 I CB -0.778 37.266 38.000 0.072 0.000 1.165 323 I HN 0.853 nan 8.210 nan 0.000 0.440 324 E N 0.317 120.542 120.200 0.042 0.000 2.429 324 E HA 0.685 5.050 4.350 0.026 0.000 0.280 324 E C -1.635 174.987 176.600 0.037 0.000 1.068 324 E CA -0.961 55.455 56.400 0.026 0.000 0.837 324 E CB 2.213 31.894 29.700 -0.032 0.000 1.357 324 E HN 0.012 nan 8.360 nan 0.000 0.455 325 A N 1.257 124.122 122.820 0.075 0.000 2.449 325 A HA 0.707 5.043 4.320 0.026 0.000 0.302 325 A C -1.108 176.587 177.584 0.185 0.000 1.048 325 A CA -0.725 51.363 52.037 0.085 0.000 0.708 325 A CB 1.808 20.855 19.000 0.078 0.000 1.274 325 A HN 0.514 nan 8.150 nan 0.000 0.410 326 E N -0.370 119.872 120.200 0.069 0.000 2.378 326 E HA 0.861 5.227 4.350 0.026 0.000 0.265 326 E C -0.449 176.189 176.600 0.062 0.000 0.932 326 E CA -0.408 56.086 56.400 0.157 0.000 0.795 326 E CB 2.394 32.050 29.700 -0.073 0.000 1.296 326 E HN 1.280 nan 8.360 nan 0.000 0.438 327 A N -0.200 122.768 122.820 0.247 0.000 2.540 327 A HA 0.753 5.089 4.320 0.026 0.000 0.291 327 A C -1.279 176.495 177.584 0.317 0.000 1.083 327 A CA -0.248 51.858 52.037 0.114 0.000 0.650 327 A CB 0.735 19.725 19.000 -0.018 0.000 1.292 327 A HN 0.952 nan 8.150 nan 0.000 0.435 328 C N -0.758 118.679 119.300 0.228 0.000 3.312 328 C HA 0.758 5.234 4.460 0.026 0.000 0.332 328 C C -1.581 173.504 174.990 0.158 0.000 1.340 328 C CA -0.937 58.224 59.018 0.238 0.000 1.265 328 C CB 0.927 28.842 27.740 0.293 0.000 1.563 328 C HN 0.838 nan 8.230 nan 0.000 0.471 329 D N 1.090 121.570 120.400 0.133 0.000 2.302 329 D HA 0.537 5.193 4.640 0.026 0.000 0.248 329 D C -0.352 176.002 176.300 0.089 0.000 1.094 329 D CA 0.163 54.240 54.000 0.129 0.000 0.897 329 D CB 1.882 42.762 40.800 0.133 0.000 1.200 329 D HN 0.565 nan 8.370 nan 0.000 0.429 330 V N 1.164 121.156 119.914 0.130 0.000 2.448 330 V HA 0.608 4.744 4.120 0.026 0.000 0.295 330 V C 0.604 176.759 176.094 0.102 0.000 1.025 330 V CA -0.869 61.452 62.300 0.036 0.000 0.859 330 V CB 1.911 33.729 31.823 -0.008 0.000 0.988 330 V HN 0.603 nan 8.190 nan 0.000 0.431 331 G N 3.267 112.023 108.800 -0.074 0.000 2.437 331 G HA2 0.592 4.568 3.960 0.026 0.000 0.315 331 G HA3 0.592 4.568 3.960 0.026 0.000 0.315 331 G C -0.892 174.074 174.900 0.110 0.000 1.210 331 G CA -0.384 44.743 45.100 0.045 0.000 0.943 331 G HN 0.459 nan 8.290 nan 0.000 0.471 332 F N 4.174 124.309 119.950 0.309 0.000 2.494 332 F HA 0.378 4.920 4.527 0.026 0.000 0.351 332 F C 1.190 177.233 175.800 0.406 0.000 1.205 332 F CA -0.135 58.103 58.000 0.396 0.000 1.125 332 F CB 0.489 39.715 39.000 0.377 0.000 1.268 332 F HN 0.428 nan 8.300 nan 0.000 0.593 333 R N 2.879 123.671 120.500 0.486 0.000 2.680 333 R HA 0.452 4.807 4.340 0.026 0.000 0.269 333 R C -1.763 174.687 176.300 0.249 0.000 1.026 333 R CA -0.785 55.443 56.100 0.213 0.000 0.889 333 R CB 1.724 32.201 30.300 0.295 0.000 1.241 333 R HN 0.550 nan 8.270 nan 0.000 0.463 334 E N 2.244 122.497 120.200 0.089 0.000 2.187 334 E HA 0.441 4.806 4.350 0.026 0.000 0.268 334 E C -1.295 175.384 176.600 0.131 0.000 0.896 334 E CA -0.904 55.632 56.400 0.227 0.000 0.766 334 E CB 2.144 32.052 29.700 0.346 0.000 1.142 334 E HN 0.398 nan 8.360 nan 0.000 0.408 335 V N 5.747 125.732 119.914 0.118 0.000 2.378 335 V HA 0.546 4.682 4.120 0.026 0.000 0.288 335 V C -0.247 175.891 176.094 0.073 0.000 1.016 335 V CA -0.577 61.762 62.300 0.066 0.000 0.840 335 V CB 1.104 32.944 31.823 0.029 0.000 0.994 335 V HN 0.727 nan 8.190 nan 0.000 0.431 336 R N 4.298 124.838 120.500 0.066 0.000 2.710 336 R HA 0.752 5.107 4.340 0.026 0.000 0.270 336 R C -1.977 174.353 176.300 0.050 0.000 1.021 336 R CA -0.952 55.188 56.100 0.067 0.000 0.889 336 R CB 1.971 32.325 30.300 0.090 0.000 1.243 336 R HN 0.481 nan 8.270 nan 0.000 0.464 337 I N 1.413 122.012 120.570 0.048 0.000 2.362 337 I HA 0.350 4.536 4.170 0.026 0.000 0.289 337 I C -0.543 175.599 176.117 0.041 0.000 0.994 337 I CA -0.396 60.927 61.300 0.037 0.000 1.158 337 I CB 1.754 39.777 38.000 0.038 0.000 1.315 337 I HN 0.682 nan 8.210 nan 0.000 0.451 338 E N 6.206 126.427 120.200 0.035 0.000 2.275 338 E HA 0.234 4.600 4.350 0.026 0.000 0.270 338 E C -0.310 176.306 176.600 0.026 0.000 0.882 338 E CA -0.632 55.790 56.400 0.036 0.000 0.758 338 E CB 1.341 31.068 29.700 0.045 0.000 1.195 338 E HN 0.568 nan 8.360 nan 0.000 0.419 339 N N 2.872 121.586 118.700 0.025 0.000 2.721 339 N HA -0.245 4.510 4.740 0.026 0.000 0.249 339 N C 0.507 176.025 175.510 0.014 0.000 1.072 339 N CA 2.196 55.257 53.050 0.019 0.000 0.710 339 N CB -1.195 37.302 38.487 0.017 0.000 0.993 339 N HN 0.989 nan 8.380 nan 0.000 0.547 340 G N -2.379 106.430 108.800 0.015 0.000 2.176 340 G HA2 -0.279 3.697 3.960 0.026 0.000 0.253 340 G HA3 -0.279 3.697 3.960 0.026 0.000 0.253 340 G C -0.101 174.797 174.900 -0.002 0.000 0.979 340 G CA 0.470 45.575 45.100 0.008 0.000 0.641 340 G HN 0.463 nan 8.290 nan 0.000 0.530 341 L N 0.171 121.394 121.223 -0.001 0.000 2.346 341 L HA 0.697 5.053 4.340 0.026 0.000 0.276 341 L C 0.152 177.015 176.870 -0.011 0.000 1.006 341 L CA -1.336 53.496 54.840 -0.014 0.000 0.817 341 L CB 1.870 43.920 42.059 -0.014 0.000 1.272 341 L HN 0.104 nan 8.230 nan 0.000 0.421 342 L N 4.558 125.764 121.223 -0.029 0.000 2.313 342 L HA 0.422 4.777 4.340 0.026 0.000 0.282 342 L C -0.839 176.013 176.870 -0.031 0.000 1.092 342 L CA 0.484 55.307 54.840 -0.028 0.000 0.831 342 L CB 0.261 42.291 42.059 -0.049 0.000 1.159 342 L HN 0.396 nan 8.230 nan 0.000 0.442 343 L N 5.889 127.110 121.223 -0.004 0.000 2.334 343 L HA 0.552 4.908 4.340 0.026 0.000 0.276 343 L C -0.868 176.010 176.870 0.014 0.000 1.014 343 L CA -0.871 53.976 54.840 0.011 0.000 0.815 343 L CB 1.924 44.011 42.059 0.047 0.000 1.268 343 L HN 0.551 nan 8.230 nan 0.000 0.428 344 L N 3.688 124.927 121.223 0.026 0.000 2.343 344 L HA 0.487 4.843 4.340 0.026 0.000 0.278 344 L C -0.243 176.626 176.870 -0.002 0.000 0.996 344 L CA 0.014 54.870 54.840 0.027 0.000 0.831 344 L CB 0.887 42.969 42.059 0.038 0.000 1.232 344 L HN 0.585 nan 8.230 nan 0.000 0.413 345 N N 4.209 122.785 118.700 -0.206 0.000 2.727 345 N HA -0.214 4.541 4.740 0.026 0.000 0.249 345 N C 0.953 176.098 175.510 -0.607 0.000 1.048 345 N CA 1.310 53.887 53.050 -0.789 0.000 0.714 345 N CB -1.214 36.697 38.487 -0.961 0.000 0.959 345 N HN 1.200 nan 8.380 nan 0.000 0.544 346 G N -1.899 106.862 108.800 -0.065 0.000 2.184 346 G HA2 -0.356 3.619 3.960 0.026 0.000 0.264 346 G HA3 -0.356 3.619 3.960 0.026 0.000 0.264 346 G C -0.057 174.884 174.900 0.067 0.000 0.975 346 G CA 0.941 46.107 45.100 0.110 0.000 0.642 346 G HN 0.401 nan 8.290 nan 0.000 0.536 347 K N 0.848 121.285 120.400 0.061 0.000 2.270 347 K HA 0.501 4.837 4.320 0.026 0.000 0.255 347 K C -2.647 173.941 176.600 -0.019 0.000 0.936 347 K CA -2.318 53.974 56.287 0.008 0.000 0.809 347 K CB 2.531 34.987 32.500 -0.073 0.000 1.131 347 K HN 0.098 nan 8.250 nan 0.000 0.427 348 P HA 0.152 nan 4.420 nan 0.000 0.276 348 P C -0.208 177.036 177.300 -0.094 0.000 1.253 348 P CA -0.157 62.905 63.100 -0.063 0.000 0.766 348 P CB 0.564 32.229 31.700 -0.059 0.000 0.845 349 L N 3.636 124.799 121.223 -0.100 0.000 2.453 349 L HA 0.324 4.680 4.340 0.026 0.000 0.261 349 L C 0.707 177.499 176.870 -0.129 0.000 1.179 349 L CA -0.688 54.081 54.840 -0.118 0.000 0.813 349 L CB 0.372 42.324 42.059 -0.179 0.000 1.110 349 L HN 0.283 nan 8.230 nan 0.000 0.466 350 L N 3.021 124.181 121.223 -0.106 0.000 2.442 350 L HA 0.438 4.794 4.340 0.026 0.000 0.261 350 L C -0.725 176.089 176.870 -0.094 0.000 1.000 350 L CA -0.291 54.466 54.840 -0.137 0.000 0.882 350 L CB 0.906 42.914 42.059 -0.086 0.000 1.207 350 L HN 0.248 nan 8.230 nan 0.000 0.443 351 I N 4.610 125.060 120.570 -0.200 0.000 2.494 351 I HA 0.161 4.346 4.170 0.026 0.000 0.289 351 I C 0.699 176.754 176.117 -0.103 0.000 1.106 351 I CA 0.654 61.842 61.300 -0.186 0.000 1.369 351 I CB 0.122 37.895 38.000 -0.379 0.000 1.410 351 I HN 0.432 nan 8.210 nan 0.000 0.523 352 R N 5.160 125.689 120.500 0.048 0.000 3.070 352 R HA 0.499 4.854 4.340 0.026 0.000 0.252 352 R C 0.419 176.794 176.300 0.126 0.000 1.370 352 R CA -0.348 55.823 56.100 0.119 0.000 1.482 352 R CB 0.639 30.842 30.300 -0.161 0.000 1.220 352 R HN 0.807 nan 8.270 nan 0.000 0.622 353 G N 0.078 108.904 108.800 0.043 0.000 2.597 353 G HA2 0.621 4.597 3.960 0.026 0.000 0.317 353 G HA3 0.621 4.597 3.960 0.026 0.000 0.317 353 G C -1.315 173.854 174.900 0.448 0.000 1.230 353 G CA -0.464 44.669 45.100 0.055 0.000 0.996 353 G HN 0.217 nan 8.290 nan 0.000 0.490 354 V N -0.330 119.848 119.914 0.441 0.000 3.120 354 V HA 0.484 4.620 4.120 0.026 0.000 0.303 354 V C -1.289 174.954 176.094 0.247 0.000 1.238 354 V CA -1.204 61.277 62.300 0.301 0.000 1.008 354 V CB 2.295 34.050 31.823 -0.114 0.000 1.064 354 V HN 0.761 nan 8.190 nan 0.000 0.434 355 N N 3.862 122.611 118.700 0.082 0.000 2.518 355 N HA 0.480 5.236 4.740 0.026 0.000 0.283 355 N C -0.799 174.510 175.510 -0.335 0.000 1.119 355 N CA -0.354 52.608 53.050 -0.147 0.000 0.983 355 N CB 1.597 39.944 38.487 -0.233 0.000 1.139 355 N HN 0.632 nan 8.380 nan 0.000 0.465 356 R N 2.061 122.339 120.500 -0.370 0.000 2.518 356 R HA 0.198 4.554 4.340 0.026 0.000 0.296 356 R C -1.059 175.014 176.300 -0.378 0.000 1.080 356 R CA -0.552 55.347 56.100 -0.334 0.000 0.922 356 R CB 0.686 30.787 30.300 -0.332 0.000 1.184 356 R HN 0.584 nan 8.270 nan 0.000 0.445 357 H N 2.237 121.150 119.070 -0.262 0.000 2.551 357 H HA 0.121 4.693 4.556 0.027 0.000 0.358 357 H C -0.462 174.858 175.328 -0.014 0.000 1.151 357 H CA 0.144 56.130 56.048 -0.103 0.000 1.374 357 H CB 1.422 31.177 29.762 -0.011 0.000 1.473 357 H HN 0.567 nan 8.280 nan 0.000 0.574 358 E N 2.166 122.540 120.200 0.290 0.000 1.996 358 E HA 0.100 4.465 4.350 0.026 0.000 0.280 358 E C -0.627 176.111 176.600 0.231 0.000 1.092 358 E CA -0.013 56.483 56.400 0.160 0.000 0.862 358 E CB 0.275 30.076 29.700 0.169 0.000 1.066 358 E HN 0.390 nan 8.360 nan 0.000 0.396 359 H N 1.705 120.824 119.070 0.081 0.000 2.771 359 H HA 0.266 4.837 4.556 0.026 0.000 0.361 359 H C -1.610 173.758 175.328 0.065 0.000 1.108 359 H CA -0.698 55.392 56.048 0.070 0.000 1.201 359 H CB 1.064 30.853 29.762 0.045 0.000 1.681 359 H HN 0.393 nan 8.280 nan 0.000 0.534 360 H N 6.401 125.086 119.070 -0.641 0.000 2.689 360 H HA 0.206 4.778 4.556 0.026 0.000 0.346 360 H C -2.230 172.714 175.328 -0.640 0.000 1.037 360 H CA -2.422 53.361 56.048 -0.442 0.000 1.234 360 H CB 2.673 32.303 29.762 -0.220 0.000 1.572 360 H HN 0.552 nan 8.280 nan 0.000 0.524 361 P HA -0.121 nan 4.420 nan 0.000 0.218 361 P C 1.159 178.395 177.300 -0.107 0.000 1.148 361 P CA 0.997 63.987 63.100 -0.182 0.000 0.822 361 P CB 0.821 32.439 31.700 -0.137 0.000 0.784 362 L N -1.857 119.399 121.223 0.054 0.000 2.316 362 L HA 0.102 4.458 4.340 0.026 0.000 0.207 362 L C 2.252 179.076 176.870 -0.077 0.000 1.070 362 L CA 0.713 55.511 54.840 -0.070 0.000 0.820 362 L CB -0.770 41.181 42.059 -0.179 0.000 0.992 362 L HN 0.020 nan 8.230 nan 0.000 0.466 363 H N -0.540 118.449 119.070 -0.135 0.000 2.586 363 H HA 0.261 4.833 4.556 0.026 0.000 0.273 363 H C 1.515 176.719 175.328 -0.207 0.000 0.997 363 H CA 0.032 55.935 56.048 -0.243 0.000 1.177 363 H CB 0.552 30.058 29.762 -0.425 0.000 1.471 363 H HN 0.386 nan 8.280 nan 0.000 0.538 364 G N 1.825 110.536 108.800 -0.148 0.000 2.675 364 G HA2 -0.400 3.575 3.960 0.026 0.000 0.312 364 G HA3 -0.400 3.575 3.960 0.026 0.000 0.312 364 G C 0.740 175.539 174.900 -0.168 0.000 1.186 364 G CA 0.530 45.485 45.100 -0.241 0.000 0.965 364 G HN 0.486 nan 8.290 nan 0.000 0.548 365 Q N 0.039 119.781 119.800 -0.097 0.000 2.188 365 Q HA 0.475 4.831 4.340 0.026 0.000 0.212 365 Q C 0.088 176.177 176.000 0.148 0.000 0.846 365 Q CA -0.133 55.665 55.803 -0.009 0.000 0.989 365 Q CB 1.629 30.269 28.738 -0.164 0.000 1.114 365 Q HN 0.355 nan 8.270 nan 0.000 0.488 366 V N 2.150 122.128 119.914 0.105 0.000 2.461 366 V HA 0.198 4.333 4.120 0.026 0.000 0.275 366 V C 0.155 176.311 176.094 0.105 0.000 1.047 366 V CA 0.076 62.447 62.300 0.117 0.000 0.955 366 V CB 1.029 32.854 31.823 0.003 0.000 0.988 366 V HN 0.333 nan 8.190 nan 0.000 0.471 367 M N 5.580 125.252 119.600 0.120 0.000 2.363 367 M HA 0.474 4.970 4.480 0.026 0.000 0.343 367 M C -0.383 175.922 176.300 0.008 0.000 1.165 367 M CA -0.468 54.876 55.300 0.073 0.000 1.046 367 M CB 1.737 34.361 32.600 0.040 0.000 1.648 367 M HN 0.832 nan 8.290 nan 0.000 0.452 368 D N 0.789 121.200 120.400 0.019 0.000 2.419 368 D HA 0.230 4.886 4.640 0.026 0.000 0.234 368 D C 0.149 176.450 176.300 0.002 0.000 1.014 368 D CA -0.461 53.543 54.000 0.006 0.000 0.919 368 D CB 1.897 42.735 40.800 0.063 0.000 1.366 368 D HN 0.692 nan 8.370 nan 0.000 0.490 369 E N 0.199 120.402 120.200 0.005 0.000 2.058 369 E HA -0.280 4.086 4.350 0.026 0.000 0.194 369 E C 2.008 178.656 176.600 0.080 0.000 0.997 369 E CA 1.803 58.227 56.400 0.040 0.000 0.801 369 E CB 0.089 29.825 29.700 0.060 0.000 0.746 369 E HN 0.611 nan 8.360 nan 0.000 0.450 370 Q N -0.566 119.285 119.800 0.086 0.000 2.124 370 Q HA -0.121 4.234 4.340 0.026 0.000 0.202 370 Q C 1.983 178.045 176.000 0.102 0.000 0.977 370 Q CA 1.838 57.697 55.803 0.094 0.000 0.850 370 Q CB -0.336 28.459 28.738 0.095 0.000 0.901 370 Q HN 0.075 nan 8.270 nan 0.000 0.429 371 T N 1.176 115.802 114.554 0.120 0.000 2.777 371 T HA -0.029 4.337 4.350 0.026 0.000 0.266 371 T C 1.811 176.588 174.700 0.127 0.000 1.040 371 T CA 1.488 63.665 62.100 0.129 0.000 1.141 371 T CB -0.141 68.832 68.868 0.176 0.000 0.868 371 T HN 0.270 nan 8.240 nan 0.000 0.444 372 M N 0.528 120.212 119.600 0.140 0.000 2.086 372 M HA -0.097 4.399 4.480 0.026 0.000 0.261 372 M C 2.461 178.871 176.300 0.182 0.000 1.067 372 M CA 1.339 56.789 55.300 0.251 0.000 1.116 372 M CB -0.606 32.175 32.600 0.302 0.000 1.348 372 M HN 0.097 nan 8.290 nan 0.000 0.407 373 V N 0.371 120.335 119.914 0.084 0.000 2.343 373 V HA -0.310 3.826 4.120 0.026 0.000 0.247 373 V C 2.352 178.415 176.094 -0.052 0.000 1.051 373 V CA 2.190 64.472 62.300 -0.031 0.000 1.036 373 V CB -0.889 30.958 31.823 0.039 0.000 0.654 373 V HN 0.574 nan 8.190 nan 0.000 0.451 374 Q N -0.285 119.538 119.800 0.038 0.000 2.096 374 Q HA -0.271 4.084 4.340 0.026 0.000 0.204 374 Q C 1.953 178.008 176.000 0.092 0.000 0.982 374 Q CA 2.224 58.066 55.803 0.065 0.000 0.850 374 Q CB -0.165 28.628 28.738 0.092 0.000 0.901 374 Q HN 0.619 nan 8.270 nan 0.000 0.422 375 D N 0.441 120.910 120.400 0.115 0.000 2.097 375 D HA -0.140 4.516 4.640 0.026 0.000 0.195 375 D C 1.981 178.201 176.300 -0.134 0.000 0.989 375 D CA 1.225 55.282 54.000 0.094 0.000 0.827 375 D CB -0.234 40.603 40.800 0.063 0.000 0.966 375 D HN 0.361 nan 8.370 nan 0.000 0.456 376 I N 0.727 121.220 120.570 -0.129 0.000 2.208 376 I HA -0.258 3.928 4.170 0.026 0.000 0.245 376 I C 2.421 178.387 176.117 -0.251 0.000 1.097 376 I CA 0.776 61.906 61.300 -0.283 0.000 1.363 376 I CB -0.171 37.554 38.000 -0.459 0.000 1.051 376 I HN 0.003 nan 8.210 nan 0.000 0.413 377 L N -0.048 121.061 121.223 -0.190 0.000 2.056 377 L HA -0.211 4.145 4.340 0.026 0.000 0.207 377 L C 2.547 179.472 176.870 0.092 0.000 1.078 377 L CA 1.263 56.082 54.840 -0.035 0.000 0.749 377 L CB -0.562 41.492 42.059 -0.008 0.000 0.901 377 L HN 0.282 nan 8.230 nan 0.000 0.433 378 L N -0.887 120.405 121.223 0.115 0.000 2.046 378 L HA -0.236 4.120 4.340 0.026 0.000 0.208 378 L C 2.692 179.702 176.870 0.234 0.000 1.077 378 L CA 1.345 56.339 54.840 0.256 0.000 0.747 378 L CB -0.271 42.052 42.059 0.439 0.000 0.896 378 L HN 0.302 nan 8.230 nan 0.000 0.432 379 M N -0.584 118.964 119.600 -0.086 0.000 2.067 379 M HA -0.244 4.252 4.480 0.026 0.000 0.260 379 M C 2.297 178.661 176.300 0.107 0.000 1.069 379 M CA 1.906 57.077 55.300 -0.216 0.000 1.117 379 M CB -0.327 31.920 32.600 -0.588 0.000 1.334 379 M HN 0.061 nan 8.290 nan 0.000 0.407 380 K N -0.067 120.316 120.400 -0.027 0.000 2.097 380 K HA -0.185 4.151 4.320 0.026 0.000 0.206 380 K C 1.970 178.585 176.600 0.024 0.000 1.049 380 K CA 1.318 57.514 56.287 -0.152 0.000 0.933 380 K CB -0.239 32.004 32.500 -0.429 0.000 0.717 380 K HN 0.438 nan 8.250 nan 0.000 0.442 381 Q N 0.388 120.362 119.800 0.290 0.000 2.291 381 Q HA -0.056 4.300 4.340 0.026 0.000 0.206 381 Q C 0.762 177.079 176.000 0.527 0.000 0.976 381 Q CA 0.802 56.902 55.803 0.494 0.000 0.875 381 Q CB 0.132 29.136 28.738 0.442 0.000 0.927 381 Q HN 0.265 nan 8.270 nan 0.000 0.450 382 N N 0.607 119.563 118.700 0.426 0.000 2.321 382 N HA 0.056 4.812 4.740 0.026 0.000 0.242 382 N C -0.716 174.930 175.510 0.228 0.000 1.141 382 N CA 0.026 53.320 53.050 0.406 0.000 0.864 382 N CB 0.691 39.489 38.487 0.518 0.000 1.100 382 N HN 0.161 nan 8.380 nan 0.000 0.510 383 N N 0.237 119.068 118.700 0.218 0.000 2.747 383 N HA -0.192 4.563 4.740 0.026 0.000 0.249 383 N C -0.917 174.539 175.510 -0.090 0.000 1.107 383 N CA 0.848 53.971 53.050 0.121 0.000 0.707 383 N CB -1.714 36.745 38.487 -0.047 0.000 1.054 383 N HN 0.256 nan 8.380 nan 0.000 0.555 384 F N 0.969 120.932 119.950 0.022 0.000 2.379 384 F HA 0.345 4.887 4.527 0.025 0.000 0.332 384 F C 1.696 177.483 175.800 -0.022 0.000 1.096 384 F CA -0.655 57.340 58.000 -0.009 0.000 1.105 384 F CB 0.955 39.928 39.000 -0.045 0.000 1.189 384 F HN 0.045 nan 8.300 nan 0.000 0.515 385 N N 0.585 119.392 118.700 0.178 0.000 2.143 385 N HA 0.436 5.191 4.740 0.026 0.000 0.229 385 N C -0.958 174.591 175.510 0.064 0.000 1.294 385 N CA -0.048 53.033 53.050 0.052 0.000 0.883 385 N CB 0.733 39.300 38.487 0.133 0.000 1.148 385 N HN 0.477 nan 8.380 nan 0.000 0.511 386 A N -0.465 122.460 122.820 0.175 0.000 2.594 386 A HA 0.765 5.101 4.320 0.026 0.000 0.295 386 A C -1.746 176.041 177.584 0.337 0.000 1.071 386 A CA -0.709 51.494 52.037 0.277 0.000 0.685 386 A CB 1.900 21.069 19.000 0.281 0.000 1.285 386 A HN 0.258 nan 8.150 nan 0.000 0.405 387 V N 1.409 121.590 119.914 0.444 0.000 2.888 387 V HA 0.788 4.923 4.120 0.026 0.000 0.309 387 V C -0.769 175.509 176.094 0.306 0.000 1.114 387 V CA -0.715 61.814 62.300 0.382 0.000 0.940 387 V CB 1.934 33.907 31.823 0.250 0.000 1.021 387 V HN 1.073 nan 8.190 nan 0.000 0.426 388 R N 4.857 125.405 120.500 0.080 0.000 2.387 388 R HA 0.480 4.836 4.340 0.026 0.000 0.314 388 R C -0.810 175.375 176.300 -0.191 0.000 0.958 388 R CA -0.518 55.441 56.100 -0.235 0.000 0.846 388 R CB 1.143 31.071 30.300 -0.620 0.000 1.147 388 R HN 0.828 nan 8.270 nan 0.000 0.447 389 C N 4.205 123.416 119.300 -0.148 0.000 2.896 389 C HA 0.104 4.579 4.460 0.026 0.000 0.499 389 C C 0.712 175.452 174.990 -0.417 0.000 1.022 389 C CA -0.474 58.404 59.018 -0.234 0.000 1.127 389 C CB -2.063 25.651 27.740 -0.043 0.000 1.452 389 C HN 0.672 nan 8.230 nan 0.000 0.580 390 S N 1.571 116.898 115.700 -0.623 0.000 2.455 390 S HA 0.223 4.709 4.470 0.026 0.000 0.278 390 S C -0.174 173.557 174.600 -1.447 0.000 1.216 390 S CA 0.030 57.615 58.200 -1.024 0.000 1.055 390 S CB 0.107 62.654 63.200 -1.089 0.000 0.939 390 S HN 0.734 nan 8.310 nan 0.000 0.494 391 H N 3.893 122.353 119.070 -1.018 0.000 2.439 391 H HA 0.314 4.885 4.556 0.026 0.000 0.228 391 H C -1.195 174.009 175.328 -0.206 0.000 1.423 391 H CA -0.340 55.489 56.048 -0.365 0.000 1.386 391 H CB -0.059 29.679 29.762 -0.040 0.000 1.641 391 H HN 0.886 nan 8.280 nan 0.000 0.508 392 Y N -2.812 117.594 120.300 0.177 0.000 2.765 392 Y HA 0.392 4.958 4.550 0.027 0.000 0.350 392 Y C -3.391 172.619 175.900 0.184 0.000 1.196 392 Y CA -3.165 55.047 58.100 0.187 0.000 1.119 392 Y CB -0.026 38.551 38.460 0.196 0.000 1.368 392 Y HN -0.080 nan 8.280 nan 0.000 0.463 393 P HA 0.160 nan 4.420 nan 0.000 0.268 393 P C -0.549 177.044 177.300 0.489 0.000 1.204 393 P CA 0.257 63.619 63.100 0.437 0.000 0.768 393 P CB 0.547 32.429 31.700 0.303 0.000 0.842 394 N N 0.678 119.678 118.700 0.500 0.000 2.405 394 N HA 0.079 4.835 4.740 0.026 0.000 0.269 394 N C 0.154 175.898 175.510 0.390 0.000 1.249 394 N CA -0.605 52.642 53.050 0.328 0.000 0.974 394 N CB 0.288 38.753 38.487 -0.037 0.000 1.204 394 N HN 0.598 nan 8.380 nan 0.000 0.565 395 H N 2.422 121.592 119.070 0.167 0.000 3.094 395 H HA -0.008 4.563 4.556 0.026 0.000 0.320 395 H C -1.581 173.917 175.328 0.283 0.000 1.000 395 H CA -0.846 55.292 56.048 0.150 0.000 1.413 395 H CB 0.936 30.756 29.762 0.095 0.000 1.405 395 H HN 0.445 nan 8.280 nan 0.000 0.586 396 P HA -0.220 nan 4.420 nan 0.000 0.217 396 P C 1.769 179.393 177.300 0.539 0.000 1.148 396 P CA 0.783 64.148 63.100 0.441 0.000 0.828 396 P CB 0.270 32.076 31.700 0.176 0.000 0.783 397 L N -0.969 120.648 121.223 0.656 0.000 2.201 397 L HA -0.037 4.319 4.340 0.026 0.000 0.212 397 L C 2.473 179.501 176.870 0.263 0.000 1.105 397 L CA 1.333 56.399 54.840 0.377 0.000 0.775 397 L CB -1.456 40.743 42.059 0.235 0.000 0.913 397 L HN 0.013 nan 8.230 nan 0.000 0.440 398 W N -0.356 120.969 121.300 0.043 0.000 2.318 398 W HA -0.351 4.324 4.660 0.025 0.000 0.313 398 W C 2.102 178.481 176.519 -0.234 0.000 1.221 398 W CA 2.114 59.358 57.345 -0.169 0.000 1.266 398 W CB -0.428 28.828 29.460 -0.339 0.000 1.150 398 W HN 0.276 nan 8.180 nan 0.000 0.496 399 Y N 0.672 120.897 120.300 -0.124 0.000 2.242 399 Y HA -0.205 4.360 4.550 0.026 0.000 0.291 399 Y C 2.860 178.526 175.900 -0.389 0.000 1.137 399 Y CA 2.113 59.931 58.100 -0.470 0.000 1.181 399 Y CB -1.295 36.576 38.460 -0.983 0.000 0.989 399 Y HN -0.213 nan 8.280 nan 0.000 0.527 400 T N 0.601 115.153 114.554 -0.004 0.000 2.746 400 T HA -0.144 4.222 4.350 0.026 0.000 0.267 400 T C 1.992 176.724 174.700 0.053 0.000 1.039 400 T CA 1.287 63.469 62.100 0.137 0.000 1.142 400 T CB -0.506 68.496 68.868 0.223 0.000 0.866 400 T HN 0.240 nan 8.240 nan 0.000 0.444 401 L N 0.237 121.450 121.223 -0.016 0.000 2.093 401 L HA -0.084 4.271 4.340 0.026 0.000 0.208 401 L C 2.797 179.638 176.870 -0.049 0.000 1.085 401 L CA 0.816 55.664 54.840 0.013 0.000 0.755 401 L CB -0.586 41.458 42.059 -0.026 0.000 0.904 401 L HN 0.378 nan 8.230 nan 0.000 0.435 402 C N -0.278 118.843 119.300 -0.299 0.000 2.440 402 C HA -0.122 4.354 4.460 0.026 0.000 0.278 402 C C 2.404 177.429 174.990 0.060 0.000 1.295 402 C CA 0.340 59.204 59.018 -0.258 0.000 1.738 402 C CB -0.701 26.763 27.740 -0.460 0.000 1.987 402 C HN 0.539 nan 8.230 nan 0.000 0.492 403 D N 0.594 121.040 120.400 0.077 0.000 2.117 403 D HA -0.098 4.557 4.640 0.026 0.000 0.197 403 D C 2.372 178.886 176.300 0.358 0.000 0.987 403 D CA 1.203 55.325 54.000 0.205 0.000 0.829 403 D CB -0.354 40.515 40.800 0.115 0.000 0.961 403 D HN 0.543 nan 8.370 nan 0.000 0.460 404 R N -0.745 119.850 120.500 0.160 0.000 2.075 404 R HA -0.030 4.326 4.340 0.026 0.000 0.226 404 R C 2.207 178.476 176.300 -0.051 0.000 1.114 404 R CA 0.660 56.786 56.100 0.043 0.000 0.972 404 R CB -0.257 29.989 30.300 -0.090 0.000 0.869 404 R HN 0.250 nan 8.270 nan 0.000 0.437 405 Y N 0.111 120.422 120.300 0.018 0.000 2.475 405 Y HA 0.161 4.727 4.550 0.026 0.000 0.289 405 Y C 1.021 176.853 175.900 -0.114 0.000 1.121 405 Y CA 0.945 59.028 58.100 -0.028 0.000 1.257 405 Y CB 0.381 38.797 38.460 -0.072 0.000 1.026 405 Y HN 0.273 nan 8.280 nan 0.000 0.555 406 G N 1.081 109.914 108.800 0.055 0.000 2.830 406 G HA2 -0.145 3.831 3.960 0.026 0.000 0.298 406 G HA3 -0.145 3.831 3.960 0.026 0.000 0.298 406 G C -1.130 173.617 174.900 -0.255 0.000 1.031 406 G CA -0.445 44.564 45.100 -0.151 0.000 1.179 406 G HN 0.173 nan 8.290 nan 0.000 0.527 407 L N 1.340 122.486 121.223 -0.130 0.000 2.482 407 L HA 0.462 4.817 4.340 0.026 0.000 0.263 407 L C -0.465 176.402 176.870 -0.006 0.000 0.957 407 L CA -1.356 53.366 54.840 -0.196 0.000 0.836 407 L CB 1.891 43.855 42.059 -0.157 0.000 1.324 407 L HN 0.373 nan 8.230 nan 0.000 0.406 408 Y N 2.012 122.438 120.300 0.210 0.000 2.377 408 Y HA 0.364 4.931 4.550 0.029 0.000 0.330 408 Y C 0.285 176.316 175.900 0.218 0.000 1.108 408 Y CA -0.524 57.732 58.100 0.259 0.000 1.308 408 Y CB 1.006 39.599 38.460 0.223 0.000 1.216 408 Y HN 0.101 nan 8.280 nan 0.000 0.518 409 V N 4.325 124.432 119.914 0.321 0.000 2.555 409 V HA 0.406 4.542 4.120 0.026 0.000 0.302 409 V C -0.582 175.602 176.094 0.150 0.000 1.038 409 V CA -1.055 61.378 62.300 0.222 0.000 0.887 409 V CB 1.998 33.919 31.823 0.163 0.000 0.991 409 V HN 0.457 nan 8.190 nan 0.000 0.434 410 V N 3.453 123.428 119.914 0.102 0.000 2.311 410 V HA 0.323 4.459 4.120 0.026 0.000 0.275 410 V C -0.261 175.876 176.094 0.073 0.000 1.022 410 V CA -0.434 61.872 62.300 0.010 0.000 0.830 410 V CB 1.420 33.135 31.823 -0.180 0.000 1.012 410 V HN 0.855 nan 8.190 nan 0.000 0.452 411 D N 4.193 124.672 120.400 0.131 0.000 2.277 411 D HA 0.273 4.929 4.640 0.026 0.000 0.249 411 D C -0.176 176.313 176.300 0.314 0.000 1.134 411 D CA 0.060 54.237 54.000 0.294 0.000 0.863 411 D CB 1.221 42.241 40.800 0.366 0.000 1.143 411 D HN 0.663 nan 8.370 nan 0.000 0.458 412 E N 1.648 122.003 120.200 0.257 0.000 2.187 412 E HA 0.600 4.966 4.350 0.026 0.000 0.268 412 E C -0.925 175.818 176.600 0.239 0.000 0.896 412 E CA -1.045 55.492 56.400 0.229 0.000 0.766 412 E CB 1.390 31.180 29.700 0.151 0.000 1.142 412 E HN 0.482 nan 8.360 nan 0.000 0.408 413 A N 3.710 126.660 122.820 0.216 0.000 2.483 413 A HA 0.029 4.365 4.320 0.026 0.000 0.238 413 A C 0.342 178.051 177.584 0.208 0.000 1.070 413 A CA -0.175 51.968 52.037 0.177 0.000 0.770 413 A CB 0.137 19.203 19.000 0.110 0.000 1.008 413 A HN 0.687 nan 8.150 nan 0.000 0.497 414 N N 1.177 120.008 118.700 0.219 0.000 3.050 414 N HA 0.260 5.016 4.740 0.026 0.000 0.289 414 N C -1.018 174.619 175.510 0.211 0.000 1.209 414 N CA 0.211 53.424 53.050 0.270 0.000 1.154 414 N CB -0.819 37.830 38.487 0.270 0.000 1.444 414 N HN 0.468 nan 8.380 nan 0.000 0.529 415 I N 1.063 121.750 120.570 0.195 0.000 2.503 415 I HA 0.261 4.447 4.170 0.026 0.000 0.282 415 I C -0.663 175.547 176.117 0.156 0.000 1.059 415 I CA -0.657 60.738 61.300 0.159 0.000 1.081 415 I CB 1.692 39.757 38.000 0.108 0.000 1.210 415 I HN 0.262 nan 8.210 nan 0.000 0.450 416 E N 4.299 124.589 120.200 0.150 0.000 2.287 416 E HA 0.373 4.739 4.350 0.026 0.000 0.274 416 E C -0.534 176.136 176.600 0.116 0.000 0.896 416 E CA -0.527 55.936 56.400 0.104 0.000 0.788 416 E CB 1.641 31.381 29.700 0.066 0.000 1.244 416 E HN 0.577 nan 8.360 nan 0.000 0.408 417 T N 0.669 115.286 114.554 0.104 0.000 3.355 417 T HA 0.160 4.526 4.350 0.026 0.000 0.276 417 T C 0.921 175.688 174.700 0.110 0.000 1.003 417 T CA -0.270 61.922 62.100 0.152 0.000 0.943 417 T CB -0.337 68.594 68.868 0.105 0.000 1.158 417 T HN 0.685 nan 8.240 nan 0.000 0.513 418 H N 1.192 120.198 119.070 -0.106 0.000 2.394 418 H HA -0.102 4.471 4.556 0.027 0.000 0.297 418 H C 2.297 177.512 175.328 -0.188 0.000 1.113 418 H CA 1.343 57.293 56.048 -0.163 0.000 1.277 418 H CB -0.198 29.432 29.762 -0.219 0.000 1.370 418 H HN 0.585 nan 8.280 nan 0.000 0.506 419 G N 0.080 108.739 108.800 -0.235 0.000 2.679 419 G HA2 -0.048 3.928 3.960 0.026 0.000 0.212 419 G HA3 -0.048 3.928 3.960 0.026 0.000 0.212 419 G C 0.432 175.457 174.900 0.207 0.000 1.137 419 G CA -0.122 44.860 45.100 -0.196 0.000 0.787 419 G HN 0.138 nan 8.290 nan 0.000 0.534 420 M N 0.470 120.225 119.600 0.259 0.000 2.241 420 M HA 0.344 4.840 4.480 0.026 0.000 0.335 420 M C -0.446 175.893 176.300 0.064 0.000 1.122 420 M CA -0.477 54.922 55.300 0.165 0.000 1.164 420 M CB 1.458 34.109 32.600 0.086 0.000 1.459 420 M HN -0.215 nan 8.290 nan 0.000 0.461 421 V N 4.452 124.381 119.914 0.026 0.000 2.447 421 V HA 0.366 4.502 4.120 0.026 0.000 0.292 421 V C -1.890 174.198 176.094 -0.011 0.000 1.021 421 V CA -1.249 61.052 62.300 0.002 0.000 0.850 421 V CB 1.658 33.478 31.823 -0.006 0.000 1.005 421 V HN 0.739 nan 8.190 nan 0.000 0.426 422 P HA 0.248 nan 4.420 nan 0.000 0.277 422 P C 1.025 178.330 177.300 0.009 0.000 1.276 422 P CA -0.527 62.572 63.100 -0.003 0.000 0.788 422 P CB 1.158 32.857 31.700 -0.002 0.000 1.114 423 M N 0.463 120.075 119.600 0.019 0.000 2.202 423 M HA -0.168 4.328 4.480 0.026 0.000 0.262 423 M C 1.287 177.615 176.300 0.047 0.000 1.063 423 M CA 1.850 57.172 55.300 0.038 0.000 1.097 423 M CB -0.475 32.140 32.600 0.025 0.000 1.382 423 M HN 0.368 nan 8.290 nan 0.000 0.413 424 N N -0.101 118.627 118.700 0.046 0.000 2.313 424 N HA -0.068 4.688 4.740 0.026 0.000 0.207 424 N C 1.109 176.611 175.510 -0.013 0.000 1.141 424 N CA 0.140 53.222 53.050 0.053 0.000 0.830 424 N CB -0.682 37.857 38.487 0.086 0.000 1.008 424 N HN 0.369 nan 8.380 nan 0.000 0.481 425 R N 0.358 120.833 120.500 -0.042 0.000 2.105 425 R HA -0.000 4.355 4.340 0.026 0.000 0.239 425 R C 1.432 177.643 176.300 -0.149 0.000 1.135 425 R CA 1.322 57.372 56.100 -0.082 0.000 0.967 425 R CB -0.002 30.244 30.300 -0.091 0.000 0.861 425 R HN 0.287 nan 8.270 nan 0.000 0.442 426 L N -0.712 120.363 121.223 -0.246 0.000 2.168 426 L HA 0.001 4.357 4.340 0.026 0.000 0.203 426 L C 2.474 179.217 176.870 -0.211 0.000 1.078 426 L CA 1.243 55.822 54.840 -0.434 0.000 0.780 426 L CB -0.522 41.027 42.059 -0.851 0.000 0.939 426 L HN 0.335 nan 8.230 nan 0.000 0.451 427 T N -4.091 110.373 114.554 -0.150 0.000 3.007 427 T HA -0.182 4.183 4.350 0.026 0.000 0.270 427 T C 1.251 175.889 174.700 -0.104 0.000 1.107 427 T CA 1.390 63.396 62.100 -0.156 0.000 1.118 427 T CB -0.238 68.514 68.868 -0.192 0.000 0.889 427 T HN 0.158 nan 8.240 nan 0.000 0.506 428 D N 0.830 121.198 120.400 -0.053 0.000 2.369 428 D HA 0.091 4.746 4.640 0.026 0.000 0.211 428 D C -0.182 176.109 176.300 -0.014 0.000 1.077 428 D CA -0.234 53.745 54.000 -0.036 0.000 0.842 428 D CB -0.028 40.753 40.800 -0.031 0.000 0.947 428 D HN 0.281 nan 8.370 nan 0.000 0.509 429 D N 0.143 120.549 120.400 0.009 0.000 2.313 429 D HA 0.099 4.755 4.640 0.026 0.000 0.239 429 D C -1.514 174.842 176.300 0.093 0.000 1.142 429 D CA -2.209 51.831 54.000 0.066 0.000 0.847 429 D CB 1.884 42.763 40.800 0.132 0.000 1.082 429 D HN 0.013 nan 8.370 nan 0.000 0.480 430 P HA -0.178 nan 4.420 nan 0.000 0.221 430 P C 1.318 178.626 177.300 0.014 0.000 1.145 430 P CA 0.606 63.720 63.100 0.023 0.000 0.795 430 P CB 0.348 32.049 31.700 0.003 0.000 0.775 431 R N -0.870 119.645 120.500 0.024 0.000 2.193 431 R HA -0.118 4.238 4.340 0.026 0.000 0.229 431 R C 1.230 177.410 176.300 -0.200 0.000 1.110 431 R CA 1.227 57.273 56.100 -0.090 0.000 0.988 431 R CB -0.432 29.809 30.300 -0.098 0.000 0.871 431 R HN 0.208 nan 8.270 nan 0.000 0.458 432 W N -0.360 120.891 121.300 -0.083 0.000 3.220 432 W HA 0.135 4.810 4.660 0.025 0.000 0.328 432 W C 1.293 177.760 176.519 -0.087 0.000 1.205 432 W CA -0.635 56.661 57.345 -0.081 0.000 1.773 432 W CB 0.160 29.570 29.460 -0.082 0.000 1.086 432 W HN 0.082 nan 8.180 nan 0.000 0.622 433 L N 2.095 123.356 121.223 0.063 0.000 2.046 433 L HA -0.016 4.340 4.340 0.026 0.000 0.208 433 L C -0.704 176.139 176.870 -0.045 0.000 1.077 433 L CA 2.189 57.026 54.840 -0.005 0.000 0.747 433 L CB -1.591 40.452 42.059 -0.026 0.000 0.896 433 L HN -0.230 nan 8.230 nan 0.000 0.432 434 P HA -0.161 nan 4.420 nan 0.000 0.214 434 P C 1.630 178.885 177.300 -0.075 0.000 1.163 434 P CA 2.179 65.225 63.100 -0.090 0.000 0.883 434 P CB -0.199 31.435 31.700 -0.110 0.000 0.788 435 A N -1.147 121.646 122.820 -0.046 0.000 1.902 435 A HA -0.215 4.120 4.320 0.026 0.000 0.217 435 A C 2.242 179.847 177.584 0.034 0.000 1.181 435 A CA 2.011 54.056 52.037 0.014 0.000 0.623 435 A CB -1.502 17.552 19.000 0.089 0.000 0.818 435 A HN 0.100 nan 8.150 nan 0.000 0.443 436 M N 0.253 119.880 119.600 0.045 0.000 2.086 436 M HA -0.165 4.331 4.480 0.026 0.000 0.261 436 M C 2.600 178.847 176.300 -0.088 0.000 1.067 436 M CA 1.876 57.174 55.300 -0.003 0.000 1.116 436 M CB -0.414 32.166 32.600 -0.033 0.000 1.348 436 M HN 0.678 nan 8.290 nan 0.000 0.407 437 S N 0.317 115.936 115.700 -0.136 0.000 2.370 437 S HA -0.196 4.290 4.470 0.026 0.000 0.226 437 S C 1.630 176.058 174.600 -0.286 0.000 1.033 437 S CA 1.516 59.564 58.200 -0.252 0.000 1.011 437 S CB -0.728 62.305 63.200 -0.279 0.000 0.852 437 S HN 0.511 nan 8.310 nan 0.000 0.457 438 E N 1.169 121.253 120.200 -0.194 0.000 2.153 438 E HA -0.105 4.261 4.350 0.026 0.000 0.194 438 E C 2.361 178.876 176.600 -0.141 0.000 0.988 438 E CA 0.970 57.266 56.400 -0.173 0.000 0.811 438 E CB -0.183 29.453 29.700 -0.107 0.000 0.746 438 E HN 0.593 nan 8.360 nan 0.000 0.466 439 R N 0.101 120.547 120.500 -0.090 0.000 2.235 439 R HA -0.032 4.323 4.340 0.026 0.000 0.213 439 R C 2.132 178.392 176.300 -0.067 0.000 1.059 439 R CA 0.369 56.447 56.100 -0.038 0.000 0.997 439 R CB 0.205 30.521 30.300 0.027 0.000 0.884 439 R HN 0.004 nan 8.270 nan 0.000 0.462 440 V N -0.211 119.611 119.914 -0.153 0.000 2.403 440 V HA -0.152 3.984 4.120 0.026 0.000 0.239 440 V C 2.417 178.326 176.094 -0.309 0.000 1.041 440 V CA 1.987 64.172 62.300 -0.191 0.000 1.051 440 V CB -0.096 31.602 31.823 -0.209 0.000 0.704 440 V HN 0.459 nan 8.190 nan 0.000 0.472 441 T N -0.480 113.760 114.554 -0.523 0.000 2.720 441 T HA -0.259 4.107 4.350 0.026 0.000 0.268 441 T C 1.912 176.451 174.700 -0.268 0.000 1.037 441 T CA 1.536 63.246 62.100 -0.650 0.000 1.144 441 T CB -0.438 67.868 68.868 -0.935 0.000 0.864 441 T HN 0.386 nan 8.240 nan 0.000 0.444 442 R N 0.243 120.610 120.500 -0.222 0.000 2.189 442 R HA 0.214 4.570 4.340 0.026 0.000 0.223 442 R C 2.605 178.827 176.300 -0.131 0.000 1.092 442 R CA 1.249 57.256 56.100 -0.155 0.000 0.989 442 R CB -0.425 29.793 30.300 -0.137 0.000 0.876 442 R HN 0.515 nan 8.270 nan 0.000 0.457 443 M N 0.460 119.988 119.600 -0.119 0.000 2.123 443 M HA -0.110 4.386 4.480 0.026 0.000 0.263 443 M C 1.838 178.068 176.300 -0.116 0.000 1.069 443 M CA 1.566 56.830 55.300 -0.061 0.000 1.133 443 M CB 0.140 32.746 32.600 0.010 0.000 1.356 443 M HN -0.048 nan 8.290 nan 0.000 0.415 444 V N 1.174 120.906 119.914 -0.303 0.000 2.343 444 V HA -0.289 3.846 4.120 0.026 0.000 0.247 444 V C 2.278 178.258 176.094 -0.190 0.000 1.051 444 V CA 2.016 64.010 62.300 -0.510 0.000 1.036 444 V CB -0.963 30.526 31.823 -0.555 0.000 0.654 444 V HN 0.595 nan 8.190 nan 0.000 0.451 445 Q N -0.702 119.023 119.800 -0.125 0.000 2.170 445 Q HA -0.207 4.149 4.340 0.026 0.000 0.203 445 Q C 2.469 178.381 176.000 -0.146 0.000 0.976 445 Q CA 1.451 57.187 55.803 -0.110 0.000 0.858 445 Q CB -0.159 28.538 28.738 -0.069 0.000 0.907 445 Q HN 0.544 nan 8.270 nan 0.000 0.433 446 R N 0.460 120.872 120.500 -0.146 0.000 2.066 446 R HA -0.089 4.266 4.340 0.026 0.000 0.224 446 R C 0.550 176.777 176.300 -0.121 0.000 1.122 446 R CA 1.378 57.373 56.100 -0.175 0.000 0.974 446 R CB 0.373 30.573 30.300 -0.167 0.000 0.871 446 R HN 0.169 nan 8.270 nan 0.000 0.435 447 D N 0.110 120.496 120.400 -0.023 0.000 2.369 447 D HA -0.012 4.643 4.640 0.026 0.000 0.211 447 D C 1.314 177.712 176.300 0.162 0.000 1.077 447 D CA 0.099 54.129 54.000 0.051 0.000 0.842 447 D CB 0.202 40.950 40.800 -0.088 0.000 0.947 447 D HN 0.395 nan 8.370 nan 0.000 0.509 448 R N 0.719 121.323 120.500 0.173 0.000 2.241 448 R HA -0.014 4.341 4.340 0.026 0.000 0.224 448 R C 0.857 177.155 176.300 -0.004 0.000 1.101 448 R CA 0.889 57.101 56.100 0.187 0.000 0.995 448 R CB -0.297 30.028 30.300 0.042 0.000 0.870 448 R HN -0.063 nan 8.270 nan 0.000 0.463 449 N N 0.194 118.823 118.700 -0.119 0.000 2.353 449 N HA -0.005 4.750 4.740 0.026 0.000 0.185 449 N C -0.439 174.950 175.510 -0.201 0.000 1.098 449 N CA 0.247 53.202 53.050 -0.158 0.000 0.872 449 N CB 0.103 38.483 38.487 -0.179 0.000 0.970 449 N HN 0.285 nan 8.380 nan 0.000 0.467 450 H N 1.746 120.759 119.070 -0.096 0.000 2.878 450 H HA 0.082 4.654 4.556 0.026 0.000 0.290 450 H C -1.149 174.035 175.328 -0.239 0.000 1.065 450 H CA -1.133 54.840 56.048 -0.124 0.000 1.477 450 H CB 1.400 31.122 29.762 -0.068 0.000 1.484 450 H HN 0.098 nan 8.280 nan 0.000 0.504 451 P HA -0.149 nan 4.420 nan 0.000 0.221 451 P C 1.421 178.252 177.300 -0.782 0.000 1.150 451 P CA 1.074 63.822 63.100 -0.586 0.000 0.800 451 P CB 0.326 31.488 31.700 -0.897 0.000 0.787 452 S N -0.583 114.761 115.700 -0.594 0.000 2.419 452 S HA -0.048 4.438 4.470 0.026 0.000 0.233 452 S C 1.138 175.722 174.600 -0.027 0.000 1.016 452 S CA 0.410 58.454 58.200 -0.260 0.000 0.974 452 S CB -1.512 61.676 63.200 -0.019 0.000 0.786 452 S HN -0.052 nan 8.310 nan 0.000 0.492 453 V N 4.311 124.177 119.914 -0.079 0.000 2.415 453 V HA 0.169 4.304 4.120 0.026 0.000 0.267 453 V C 1.224 177.186 176.094 -0.219 0.000 1.042 453 V CA -0.158 62.062 62.300 -0.134 0.000 1.000 453 V CB 0.568 32.223 31.823 -0.279 0.000 1.015 453 V HN 0.618 nan 8.190 nan 0.000 0.478 454 I N 3.361 123.853 120.570 -0.129 0.000 4.288 454 I HA 0.471 4.657 4.170 0.026 0.000 0.331 454 I C 0.333 176.344 176.117 -0.176 0.000 1.322 454 I CA 0.726 61.957 61.300 -0.115 0.000 1.149 454 I CB 0.183 38.196 38.000 0.023 0.000 1.112 454 I HN 0.339 nan 8.210 nan 0.000 0.403 455 I N 0.341 120.779 120.570 -0.221 0.000 2.656 455 I HA 0.342 4.527 4.170 0.026 0.000 0.292 455 I C -1.542 174.475 176.117 -0.166 0.000 1.144 455 I CA -0.402 60.808 61.300 -0.150 0.000 1.038 455 I CB 2.270 40.271 38.000 0.003 0.000 1.244 455 I HN -0.065 nan 8.210 nan 0.000 0.420 456 W N 4.019 125.370 121.300 0.085 0.000 2.438 456 W HA 0.601 5.275 4.660 0.022 0.000 0.324 456 W C 0.448 177.032 176.519 0.108 0.000 1.119 456 W CA -0.613 56.788 57.345 0.093 0.000 1.221 456 W CB 1.659 31.170 29.460 0.085 0.000 1.253 456 W HN 0.309 nan 8.180 nan 0.000 0.555 457 S N 2.859 118.789 115.700 0.384 0.000 2.500 457 S HA 0.400 4.886 4.470 0.026 0.000 0.301 457 S C 0.303 175.061 174.600 0.265 0.000 1.092 457 S CA -0.704 57.666 58.200 0.283 0.000 1.030 457 S CB 0.780 64.102 63.200 0.202 0.000 1.031 457 S HN 0.578 nan 8.310 nan 0.000 0.483 458 L N 4.194 125.560 121.223 0.237 0.000 2.610 458 L HA 0.336 4.692 4.340 0.026 0.000 0.232 458 L C 1.414 178.335 176.870 0.085 0.000 1.149 458 L CA 0.510 55.410 54.840 0.100 0.000 0.872 458 L CB -1.076 40.942 42.059 -0.068 0.000 0.992 458 L HN 0.989 nan 8.230 nan 0.000 0.447 459 G N -0.799 108.138 108.800 0.228 0.000 2.265 459 G HA2 -0.042 3.934 3.960 0.026 0.000 0.246 459 G HA3 -0.042 3.934 3.960 0.026 0.000 0.246 459 G C -0.716 174.381 174.900 0.328 0.000 1.299 459 G CA -0.184 45.061 45.100 0.241 0.000 1.117 459 G HN -0.007 nan 8.290 nan 0.000 0.485 460 T N -0.249 114.443 114.554 0.229 0.000 2.840 460 T HA 0.526 4.892 4.350 0.026 0.000 0.317 460 T C -0.695 173.977 174.700 -0.047 0.000 1.401 460 T CA 0.678 62.792 62.100 0.022 0.000 1.028 460 T CB 1.135 69.777 68.868 -0.376 0.000 1.317 460 T HN 1.432 nan 8.240 nan 0.000 0.495 461 E N 1.340 121.410 120.200 -0.217 0.000 2.106 461 E HA -0.146 4.220 4.350 0.026 0.000 0.175 461 E C -0.448 176.085 176.600 -0.111 0.000 1.448 461 E CA 0.668 56.870 56.400 -0.329 0.000 0.672 461 E CB -1.423 27.837 29.700 -0.734 0.000 1.057 461 E HN 0.395 nan 8.360 nan 0.000 0.321 462 S N -0.097 115.667 115.700 0.107 0.000 3.021 462 S HA 0.396 4.882 4.470 0.026 0.000 0.252 462 S C 0.699 175.470 174.600 0.285 0.000 0.996 462 S CA -0.191 58.137 58.200 0.213 0.000 1.084 462 S CB 1.381 64.775 63.200 0.323 0.000 1.021 462 S HN 0.845 nan 8.310 nan 0.000 0.566 463 G N 2.061 110.952 108.800 0.151 0.000 2.598 463 G HA2 -0.279 3.697 3.960 0.026 0.000 0.269 463 G HA3 -0.279 3.697 3.960 0.026 0.000 0.269 463 G C -0.444 174.640 174.900 0.306 0.000 1.289 463 G CA 0.048 45.239 45.100 0.152 0.000 0.926 463 G HN 0.678 nan 8.290 nan 0.000 0.567 464 H N 0.343 119.517 119.070 0.173 0.000 2.906 464 H HA 0.561 5.132 4.556 0.025 0.000 0.324 464 H C 0.378 175.866 175.328 0.268 0.000 0.973 464 H CA -0.207 55.976 56.048 0.226 0.000 1.321 464 H CB 0.479 30.312 29.762 0.119 0.000 1.535 464 H HN 0.967 nan 8.280 nan 0.000 0.518 465 G N 1.529 110.565 108.800 0.394 0.000 2.511 465 G HA2 0.442 4.418 3.960 0.026 0.000 0.318 465 G HA3 0.442 4.418 3.960 0.026 0.000 0.318 465 G C 0.639 175.521 174.900 -0.030 0.000 1.210 465 G CA -0.168 44.955 45.100 0.038 0.000 0.969 465 G HN 0.684 nan 8.290 nan 0.000 0.484 466 A N 0.401 123.175 122.820 -0.077 0.000 2.076 466 A HA -0.093 4.243 4.320 0.026 0.000 0.220 466 A C 2.107 179.695 177.584 0.007 0.000 1.160 466 A CA 1.732 53.750 52.037 -0.031 0.000 0.653 466 A CB -0.369 18.616 19.000 -0.025 0.000 0.801 466 A HN 0.526 nan 8.150 nan 0.000 0.455 467 N N -0.343 118.326 118.700 -0.051 0.000 2.244 467 N HA -0.122 4.634 4.740 0.026 0.000 0.183 467 N C 1.379 176.842 175.510 -0.077 0.000 1.016 467 N CA 1.592 54.588 53.050 -0.090 0.000 0.866 467 N CB -0.596 37.791 38.487 -0.167 0.000 0.980 467 N HN 0.780 nan 8.380 nan 0.000 0.430 468 H N 0.391 119.475 119.070 0.023 0.000 2.357 468 H HA -0.011 4.561 4.556 0.026 0.000 0.301 468 H C 1.249 176.659 175.328 0.138 0.000 1.082 468 H CA 1.273 57.336 56.048 0.025 0.000 1.342 468 H CB 0.167 29.955 29.762 0.044 0.000 1.389 468 H HN 0.199 nan 8.280 nan 0.000 0.511 469 D N 0.435 121.012 120.400 0.296 0.000 2.117 469 D HA -0.132 4.523 4.640 0.026 0.000 0.197 469 D C 2.295 178.753 176.300 0.263 0.000 0.987 469 D CA 1.175 55.342 54.000 0.279 0.000 0.829 469 D CB -0.357 40.571 40.800 0.213 0.000 0.961 469 D HN 0.431 nan 8.370 nan 0.000 0.460 470 A N 0.989 123.912 122.820 0.171 0.000 1.877 470 A HA -0.111 4.225 4.320 0.026 0.000 0.216 470 A C 2.422 180.107 177.584 0.168 0.000 1.186 470 A CA 0.933 53.055 52.037 0.141 0.000 0.620 470 A CB -0.775 18.269 19.000 0.072 0.000 0.822 470 A HN 0.187 nan 8.150 nan 0.000 0.443 471 L N -2.025 119.279 121.223 0.134 0.000 2.156 471 L HA -0.130 4.226 4.340 0.026 0.000 0.208 471 L C 2.571 179.567 176.870 0.211 0.000 1.095 471 L CA 1.424 56.338 54.840 0.124 0.000 0.770 471 L CB -0.672 41.394 42.059 0.012 0.000 0.914 471 L HN 0.618 nan 8.230 nan 0.000 0.439 472 Y N 1.369 121.748 120.300 0.131 0.000 2.145 472 Y HA -0.308 4.254 4.550 0.020 0.000 0.286 472 Y C 2.815 178.797 175.900 0.136 0.000 1.145 472 Y CA 1.733 59.914 58.100 0.135 0.000 1.148 472 Y CB -0.170 38.371 38.460 0.135 0.000 0.981 472 Y HN -0.038 nan 8.280 nan 0.000 0.507 473 R N -0.086 120.476 120.500 0.104 0.000 2.092 473 R HA -0.201 4.154 4.340 0.026 0.000 0.231 473 R C 2.046 178.337 176.300 -0.016 0.000 1.119 473 R CA 1.915 58.012 56.100 -0.004 0.000 0.970 473 R CB -1.536 28.853 30.300 0.148 0.000 0.864 473 R HN 0.653 nan 8.270 nan 0.000 0.440 474 W N 0.397 121.643 121.300 -0.090 0.000 2.338 474 W HA -0.129 4.546 4.660 0.026 0.000 0.304 474 W C 1.592 178.014 176.519 -0.160 0.000 1.212 474 W CA 1.882 59.165 57.345 -0.103 0.000 1.264 474 W CB -0.170 29.236 29.460 -0.090 0.000 1.142 474 W HN 0.087 nan 8.180 nan 0.000 0.512 475 I N 0.754 121.330 120.570 0.010 0.000 2.202 475 I HA -0.330 3.855 4.170 0.026 0.000 0.242 475 I C 2.455 178.386 176.117 -0.309 0.000 1.091 475 I CA 1.285 62.451 61.300 -0.223 0.000 1.368 475 I CB -0.719 37.203 38.000 -0.129 0.000 1.058 475 I HN -0.153 nan 8.210 nan 0.000 0.410 476 K N 0.370 120.590 120.400 -0.300 0.000 2.160 476 K HA -0.187 4.149 4.320 0.026 0.000 0.206 476 K C 2.264 178.732 176.600 -0.220 0.000 1.047 476 K CA 1.542 57.678 56.287 -0.253 0.000 0.930 476 K CB -0.593 31.710 32.500 -0.328 0.000 0.720 476 K HN 0.256 nan 8.250 nan 0.000 0.450 477 S N 0.449 115.982 115.700 -0.278 0.000 2.357 477 S HA -0.061 4.424 4.470 0.026 0.000 0.221 477 S C 2.027 176.413 174.600 -0.358 0.000 1.031 477 S CA 0.882 58.917 58.200 -0.276 0.000 0.982 477 S CB 0.013 63.047 63.200 -0.277 0.000 0.853 477 S HN 0.045 nan 8.310 nan 0.000 0.458 478 V N 0.985 120.543 119.914 -0.595 0.000 2.591 478 V HA 0.092 4.227 4.120 0.026 0.000 0.249 478 V C 0.500 176.364 176.094 -0.384 0.000 1.053 478 V CA 1.442 63.367 62.300 -0.626 0.000 1.068 478 V CB -0.335 30.775 31.823 -1.188 0.000 0.689 478 V HN 0.544 nan 8.190 nan 0.000 0.462 479 D N -1.309 118.917 120.400 -0.290 0.000 2.364 479 D HA 0.281 4.937 4.640 0.026 0.000 0.251 479 D C -2.249 174.043 176.300 -0.013 0.000 1.282 479 D CA -1.557 52.383 54.000 -0.100 0.000 0.927 479 D CB 1.742 42.558 40.800 0.027 0.000 1.267 479 D HN 0.044 nan 8.370 nan 0.000 0.531 480 P HA -0.046 nan 4.420 nan 0.000 0.233 480 P C 1.214 178.537 177.300 0.038 0.000 1.167 480 P CA 0.545 63.643 63.100 -0.004 0.000 0.770 480 P CB 0.233 31.923 31.700 -0.017 0.000 0.837 481 S N -1.336 114.394 115.700 0.051 0.000 2.515 481 S HA 0.017 4.503 4.470 0.026 0.000 0.231 481 S C 0.831 175.463 174.600 0.054 0.000 0.987 481 S CA 0.170 58.405 58.200 0.059 0.000 0.936 481 S CB -0.459 62.770 63.200 0.048 0.000 0.766 481 S HN 0.063 nan 8.310 nan 0.000 0.528 482 R N 1.008 121.555 120.500 0.079 0.000 2.621 482 R HA 0.526 4.882 4.340 0.026 0.000 0.284 482 R C -3.250 173.112 176.300 0.103 0.000 0.998 482 R CA -2.208 53.909 56.100 0.029 0.000 0.895 482 R CB 1.597 31.797 30.300 -0.167 0.000 1.195 482 R HN 0.146 nan 8.270 nan 0.000 0.450 483 P HA 0.119 nan 4.420 nan 0.000 0.272 483 P C -0.858 176.553 177.300 0.185 0.000 1.230 483 P CA -0.413 62.756 63.100 0.116 0.000 0.788 483 P CB 0.739 32.488 31.700 0.082 0.000 0.949 484 V N 2.234 122.291 119.914 0.237 0.000 2.495 484 V HA 0.444 4.580 4.120 0.026 0.000 0.298 484 V C 0.087 176.369 176.094 0.313 0.000 1.031 484 V CA -0.336 62.153 62.300 0.315 0.000 0.871 484 V CB 1.260 33.263 31.823 0.299 0.000 0.988 484 V HN 0.612 nan 8.190 nan 0.000 0.432 485 Q N 3.654 123.614 119.800 0.266 0.000 2.484 485 Q HA 0.822 5.178 4.340 0.026 0.000 0.285 485 Q C -1.906 174.248 176.000 0.256 0.000 1.097 485 Q CA -0.942 54.979 55.803 0.196 0.000 0.802 485 Q CB 3.048 31.847 28.738 0.103 0.000 1.444 485 Q HN 0.626 nan 8.270 nan 0.000 0.429 486 Y N 0.025 120.321 120.300 -0.006 0.000 2.409 486 Y HA 0.149 4.713 4.550 0.023 0.000 0.321 486 Y C -0.658 175.169 175.900 -0.123 0.000 1.209 486 Y CA -0.790 57.274 58.100 -0.060 0.000 1.086 486 Y CB 1.999 40.408 38.460 -0.085 0.000 1.320 486 Y HN 0.949 nan 8.280 nan 0.000 0.440 487 E N 3.280 123.004 120.200 -0.793 0.000 2.340 487 E HA 0.145 4.510 4.350 0.026 0.000 0.194 487 E C 0.726 176.869 176.600 -0.761 0.000 0.996 487 E CA 0.748 56.774 56.400 -0.623 0.000 0.869 487 E CB 0.256 29.727 29.700 -0.381 0.000 0.835 487 E HN 0.899 nan 8.360 nan 0.000 0.493 488 G N -0.100 107.849 108.800 -1.419 0.000 2.568 488 G HA2 0.183 4.158 3.960 0.026 0.000 0.231 488 G HA3 0.183 4.158 3.960 0.026 0.000 0.231 488 G C 0.849 175.548 174.900 -0.335 0.000 1.261 488 G CA 0.371 45.021 45.100 -0.750 0.000 0.855 488 G HN 0.358 nan 8.290 nan 0.000 0.576 489 G N -0.630 108.110 108.800 -0.101 0.000 2.153 489 G HA2 0.219 4.194 3.960 0.026 0.000 0.252 489 G HA3 0.219 4.194 3.960 0.026 0.000 0.252 489 G C 1.299 176.205 174.900 0.009 0.000 0.994 489 G CA 1.056 46.168 45.100 0.020 0.000 0.698 489 G HN 2.661 nan 8.290 nan 0.000 0.521 490 G N -1.565 107.230 108.800 -0.009 0.000 2.183 490 G HA2 0.445 4.421 3.960 0.026 0.000 0.168 490 G HA3 0.445 4.421 3.960 0.026 0.000 0.168 490 G C 1.068 176.088 174.900 0.199 0.000 1.008 490 G CA 1.183 46.350 45.100 0.112 0.000 0.677 490 G HN 2.310 nan 8.290 nan 0.000 0.498 491 A N -0.200 122.609 122.820 -0.017 0.000 3.420 491 A HA -0.161 4.175 4.320 0.026 0.000 0.269 491 A C 1.136 178.645 177.584 -0.124 0.000 1.122 491 A CA 2.714 54.678 52.037 -0.121 0.000 1.023 491 A CB -1.700 17.199 19.000 -0.169 0.000 1.099 491 A HN 2.101 nan 8.150 nan 0.000 0.860 492 D N -0.964 119.453 120.400 0.028 0.000 2.760 492 D HA 0.325 4.980 4.640 0.026 0.000 0.314 492 D C 0.375 176.677 176.300 0.003 0.000 1.464 492 D CA 0.758 54.780 54.000 0.037 0.000 0.797 492 D CB -1.108 39.849 40.800 0.263 0.000 1.149 492 D HN 0.775 nan 8.370 nan 0.000 0.455 493 T N -2.662 111.825 114.554 -0.112 0.000 2.729 493 T HA 0.230 4.595 4.350 0.026 0.000 0.298 493 T C 1.610 176.192 174.700 -0.197 0.000 1.013 493 T CA 0.362 62.347 62.100 -0.191 0.000 0.957 493 T CB 0.787 69.323 68.868 -0.553 0.000 1.130 493 T HN 0.074 nan 8.240 nan 0.000 0.526 494 T N -2.536 111.912 114.554 -0.176 0.000 3.163 494 T HA 0.199 4.565 4.350 0.026 0.000 0.260 494 T C 1.541 175.980 174.700 -0.436 0.000 1.156 494 T CA 0.302 62.296 62.100 -0.177 0.000 1.072 494 T CB -0.511 68.342 68.868 -0.025 0.000 0.937 494 T HN 0.821 nan 8.240 nan 0.000 0.528 495 A N 0.425 122.983 122.820 -0.437 0.000 2.460 495 A HA 0.510 4.845 4.320 0.026 0.000 0.258 495 A C 0.835 178.187 177.584 -0.387 0.000 1.300 495 A CA -0.254 51.467 52.037 -0.527 0.000 0.913 495 A CB 0.074 19.010 19.000 -0.107 0.000 1.031 495 A HN 0.431 nan 8.150 nan 0.000 0.512 496 T N -1.380 112.977 114.554 -0.328 0.000 2.952 496 T HA 0.357 4.722 4.350 0.026 0.000 0.305 496 T C -0.696 174.001 174.700 -0.005 0.000 1.064 496 T CA -0.465 61.603 62.100 -0.054 0.000 1.008 496 T CB 1.215 70.055 68.868 -0.047 0.000 1.078 496 T HN 0.090 nan 8.240 nan 0.000 0.459 497 D N 2.760 123.240 120.400 0.133 0.000 2.348 497 D HA 0.206 4.862 4.640 0.026 0.000 0.211 497 D C 0.118 176.444 176.300 0.044 0.000 0.998 497 D CA 0.607 54.679 54.000 0.120 0.000 0.873 497 D CB 0.386 41.292 40.800 0.176 0.000 0.925 497 D HN 0.407 nan 8.370 nan 0.000 0.524 498 I N 1.039 121.616 120.570 0.011 0.000 2.582 498 I HA 0.133 4.318 4.170 0.026 0.000 0.292 498 I C -0.387 175.660 176.117 -0.116 0.000 1.066 498 I CA -0.787 60.487 61.300 -0.043 0.000 1.053 498 I CB 2.411 40.396 38.000 -0.024 0.000 1.241 498 I HN -0.256 nan 8.210 nan 0.000 0.421 499 I N 5.186 125.643 120.570 -0.189 0.000 2.483 499 I HA 0.050 4.236 4.170 0.026 0.000 0.291 499 I C 0.435 176.342 176.117 -0.351 0.000 1.112 499 I CA -0.069 61.019 61.300 -0.354 0.000 1.350 499 I CB -0.184 37.493 38.000 -0.539 0.000 1.419 499 I HN 0.732 nan 8.210 nan 0.000 0.523 500 C N 6.874 125.990 119.300 -0.306 0.000 2.792 500 C HA 0.449 4.924 4.460 0.026 0.000 0.306 500 C C -1.863 172.985 174.990 -0.236 0.000 1.462 500 C CA -2.074 56.810 59.018 -0.222 0.000 1.640 500 C CB -0.454 27.208 27.740 -0.130 0.000 2.434 500 C HN 0.493 nan 8.230 nan 0.000 0.538 501 P HA 0.199 nan 4.420 nan 0.000 0.271 501 P C -0.579 176.670 177.300 -0.085 0.000 1.233 501 P CA 0.516 63.505 63.100 -0.185 0.000 0.789 501 P CB 0.823 32.390 31.700 -0.221 0.000 0.951 502 M N 1.489 121.074 119.600 -0.024 0.000 2.114 502 M HA 0.257 4.753 4.480 0.026 0.000 0.332 502 M C -0.384 175.932 176.300 0.027 0.000 1.014 502 M CA -0.467 54.734 55.300 -0.166 0.000 0.956 502 M CB 0.798 33.335 32.600 -0.104 0.000 1.551 502 M HN 0.367 nan 8.290 nan 0.000 0.427 503 Y N -0.254 120.223 120.300 0.294 0.000 3.825 503 Y HA -0.234 4.332 4.550 0.027 0.000 0.221 503 Y C 0.515 176.598 175.900 0.304 0.000 1.195 503 Y CA 0.240 58.521 58.100 0.302 0.000 1.699 503 Y CB -2.185 36.426 38.460 0.252 0.000 1.531 503 Y HN 0.799 nan 8.280 nan 0.000 0.640 504 A N 0.906 123.951 122.820 0.376 0.000 2.401 504 A HA 0.639 4.975 4.320 0.026 0.000 0.259 504 A C 0.684 178.492 177.584 0.373 0.000 1.103 504 A CA -0.578 51.683 52.037 0.374 0.000 0.789 504 A CB 0.480 19.741 19.000 0.434 0.000 1.035 504 A HN 0.441 nan 8.150 nan 0.000 0.491 505 R N 1.366 122.014 120.500 0.246 0.000 2.583 505 R HA 0.335 4.691 4.340 0.026 0.000 0.268 505 R C 1.040 177.311 176.300 -0.048 0.000 1.101 505 R CA -0.705 55.465 56.100 0.116 0.000 1.180 505 R CB 0.535 30.869 30.300 0.058 0.000 1.128 505 R HN 0.485 nan 8.270 nan 0.000 0.568 506 V N 0.657 120.378 119.914 -0.322 0.000 2.270 506 V HA -0.208 3.927 4.120 0.026 0.000 0.245 506 V C 0.976 176.956 176.094 -0.190 0.000 1.043 506 V CA 1.900 63.979 62.300 -0.367 0.000 1.014 506 V CB -0.270 31.222 31.823 -0.551 0.000 0.645 506 V HN 0.757 nan 8.190 nan 0.000 0.447 507 D N -1.370 118.950 120.400 -0.134 0.000 2.454 507 D HA 0.093 4.748 4.640 0.026 0.000 0.219 507 D C 0.913 177.197 176.300 -0.026 0.000 1.081 507 D CA 0.034 53.991 54.000 -0.071 0.000 0.867 507 D CB 0.680 41.441 40.800 -0.064 0.000 1.054 507 D HN 0.527 nan 8.370 nan 0.000 0.500 508 E N 2.034 122.221 120.200 -0.021 0.000 2.200 508 E HA 0.108 4.474 4.350 0.026 0.000 0.283 508 E C -0.747 175.853 176.600 0.000 0.000 1.015 508 E CA -0.581 55.814 56.400 -0.007 0.000 0.819 508 E CB 0.974 30.669 29.700 -0.009 0.000 1.081 508 E HN -0.198 nan 8.360 nan 0.000 0.397 509 D N 3.712 124.112 120.400 0.001 0.000 2.329 509 D HA 0.127 4.783 4.640 0.026 0.000 0.246 509 D C -0.499 175.693 176.300 -0.181 0.000 1.111 509 D CA 0.120 54.110 54.000 -0.017 0.000 0.941 509 D CB 1.218 42.080 40.800 0.103 0.000 1.169 509 D HN 0.464 nan 8.370 nan 0.000 0.441 510 Q N 1.104 120.679 119.800 -0.376 0.000 3.090 510 Q HA 0.217 4.573 4.340 0.026 0.000 0.241 510 Q C -2.237 173.177 176.000 -0.977 0.000 0.958 510 Q CA -1.445 53.942 55.803 -0.693 0.000 0.715 510 Q CB 2.256 30.593 28.738 -0.668 0.000 1.298 510 Q HN 0.184 nan 8.270 nan 0.000 0.468 511 P HA -0.049 nan 4.420 nan 0.000 0.237 511 P C -0.704 176.304 177.300 -0.487 0.000 1.701 511 P CA 0.057 62.749 63.100 -0.681 0.000 0.955 511 P CB -0.545 30.950 31.700 -0.342 0.000 1.937 512 F N 3.135 122.905 119.950 -0.301 0.000 2.518 512 F HA 0.181 4.723 4.527 0.025 0.000 0.359 512 F C -1.006 174.687 175.800 -0.179 0.000 1.118 512 F CA -2.465 55.423 58.000 -0.186 0.000 1.287 512 F CB -0.761 38.152 39.000 -0.146 0.000 1.132 512 F HN 0.131 nan 8.300 nan 0.000 0.587 513 P HA 0.154 nan 4.420 nan 0.000 0.271 513 P C 0.264 177.579 177.300 0.025 0.000 1.218 513 P CA 0.932 64.048 63.100 0.027 0.000 0.780 513 P CB 1.367 33.084 31.700 0.028 0.000 0.901 514 A N 2.642 125.473 122.820 0.019 0.000 2.066 514 A HA -0.261 4.075 4.320 0.026 0.000 0.231 514 A C 0.810 178.409 177.584 0.026 0.000 0.465 514 A CA 2.126 54.180 52.037 0.028 0.000 1.110 514 A CB -2.795 16.220 19.000 0.025 0.000 1.434 514 A HN 0.742 nan 8.150 nan 0.000 0.706 515 V N -2.759 117.163 119.914 0.013 0.000 2.361 515 V HA 0.585 4.721 4.120 0.026 0.000 0.252 515 V C -2.173 173.914 176.094 -0.011 0.000 0.986 515 V CA -1.211 61.097 62.300 0.014 0.000 1.033 515 V CB 0.661 32.495 31.823 0.017 0.000 1.282 515 V HN 0.584 nan 8.190 nan 0.000 0.514 516 P HA 0.286 nan 4.420 nan 0.000 0.272 516 P C -0.698 176.205 177.300 -0.661 0.000 1.223 516 P CA -0.005 62.751 63.100 -0.573 0.000 0.784 516 P CB 1.161 32.123 31.700 -1.231 0.000 0.923 517 K N 2.372 122.447 120.400 -0.540 0.000 2.419 517 K HA 0.217 4.552 4.320 0.026 0.000 0.244 517 K C -0.459 175.902 176.600 -0.399 0.000 1.045 517 K CA -0.292 55.861 56.287 -0.223 0.000 1.004 517 K CB 0.418 33.026 32.500 0.179 0.000 1.376 517 K HN 0.467 nan 8.250 nan 0.000 0.460 518 W N 1.322 122.362 121.300 -0.432 0.000 2.161 518 W HA 0.069 4.745 4.660 0.028 0.000 0.344 518 W C 1.286 177.823 176.519 0.029 0.000 1.262 518 W CA -0.540 56.620 57.345 -0.310 0.000 1.270 518 W CB 0.462 29.560 29.460 -0.603 0.000 1.126 518 W HN 0.369 nan 8.180 nan 0.000 0.598 519 S N 3.216 119.078 115.700 0.269 0.000 2.552 519 S HA -0.061 4.425 4.470 0.026 0.000 0.289 519 S C 1.175 175.924 174.600 0.249 0.000 1.304 519 S CA -0.250 58.051 58.200 0.169 0.000 1.063 519 S CB 0.123 63.367 63.200 0.073 0.000 0.848 519 S HN 0.531 nan 8.310 nan 0.000 0.499 520 I N 1.878 122.567 120.570 0.199 0.000 2.335 520 I HA -0.155 4.031 4.170 0.026 0.000 0.251 520 I C 1.967 178.118 176.117 0.057 0.000 1.129 520 I CA 1.308 62.727 61.300 0.198 0.000 1.402 520 I CB -0.419 37.640 38.000 0.097 0.000 1.069 520 I HN 0.594 nan 8.210 nan 0.000 0.424 521 K N 1.451 121.786 120.400 -0.109 0.000 2.148 521 K HA -0.131 4.205 4.320 0.026 0.000 0.204 521 K C 2.276 178.871 176.600 -0.008 0.000 1.050 521 K CA 1.455 57.587 56.287 -0.259 0.000 0.942 521 K CB -0.137 32.104 32.500 -0.432 0.000 0.724 521 K HN 0.387 nan 8.250 nan 0.000 0.446 522 K N 0.011 120.436 120.400 0.042 0.000 2.116 522 K HA -0.142 4.194 4.320 0.026 0.000 0.203 522 K C 1.829 178.461 176.600 0.053 0.000 1.052 522 K CA 0.652 56.953 56.287 0.024 0.000 0.952 522 K CB -0.044 32.442 32.500 -0.022 0.000 0.729 522 K HN 0.185 nan 8.250 nan 0.000 0.446 523 W N 2.204 123.495 121.300 -0.014 0.000 2.318 523 W HA -0.217 4.454 4.660 0.020 0.000 0.313 523 W C 1.629 178.134 176.519 -0.024 0.000 1.221 523 W CA 1.264 58.611 57.345 0.003 0.000 1.266 523 W CB -0.703 28.828 29.460 0.117 0.000 1.150 523 W HN 0.097 nan 8.180 nan 0.000 0.496 524 L N 0.755 122.141 121.223 0.272 0.000 2.043 524 L HA -0.269 4.087 4.340 0.026 0.000 0.212 524 L C 2.238 179.178 176.870 0.116 0.000 1.075 524 L CA 2.125 57.057 54.840 0.153 0.000 0.752 524 L CB -1.072 41.062 42.059 0.126 0.000 0.891 524 L HN -0.003 nan 8.230 nan 0.000 0.432 525 S N -1.371 114.382 115.700 0.089 0.000 2.582 525 S HA 0.262 4.748 4.470 0.026 0.000 0.234 525 S C 0.529 175.121 174.600 -0.013 0.000 0.961 525 S CA -0.539 57.684 58.200 0.039 0.000 0.953 525 S CB -0.482 62.740 63.200 0.037 0.000 0.800 525 S HN 0.153 nan 8.310 nan 0.000 0.471 526 L N 2.989 124.194 121.223 -0.030 0.000 2.506 526 L HA 0.209 4.565 4.340 0.026 0.000 0.281 526 L C -1.839 174.997 176.870 -0.057 0.000 1.228 526 L CA -1.595 53.176 54.840 -0.116 0.000 0.850 526 L CB -0.167 41.788 42.059 -0.172 0.000 1.110 526 L HN 0.113 nan 8.230 nan 0.000 0.496 527 P HA -0.082 nan 4.420 nan 0.000 0.258 527 P C 0.768 178.060 177.300 -0.014 0.000 1.172 527 P CA 1.088 64.164 63.100 -0.041 0.000 0.762 527 P CB 0.602 32.271 31.700 -0.051 0.000 0.764 528 G N 2.094 110.894 108.800 0.000 0.000 2.253 528 G HA2 -0.267 3.709 3.960 0.026 0.000 0.251 528 G HA3 -0.267 3.709 3.960 0.026 0.000 0.251 528 G C 0.222 175.138 174.900 0.028 0.000 0.998 528 G CA 0.323 45.431 45.100 0.014 0.000 0.621 528 G HN 0.685 nan 8.290 nan 0.000 0.524 529 E N 1.178 121.400 120.200 0.037 0.000 2.360 529 E HA 0.572 4.938 4.350 0.026 0.000 0.269 529 E C 1.363 177.990 176.600 0.044 0.000 1.022 529 E CA 0.881 57.316 56.400 0.058 0.000 0.887 529 E CB 0.799 30.560 29.700 0.102 0.000 0.990 529 E HN 0.622 nan 8.360 nan 0.000 0.426 530 T N 0.440 115.017 114.554 0.038 0.000 3.131 530 T HA 0.302 4.668 4.350 0.026 0.000 0.283 530 T C 0.505 175.217 174.700 0.019 0.000 0.906 530 T CA -0.475 61.642 62.100 0.028 0.000 0.882 530 T CB 0.042 68.926 68.868 0.025 0.000 1.208 530 T HN 0.276 nan 8.240 nan 0.000 0.561 531 R N 2.530 123.038 120.500 0.013 0.000 2.707 531 R HA 0.437 4.792 4.340 0.026 0.000 0.270 531 R C -2.434 173.850 176.300 -0.027 0.000 1.083 531 R CA -1.634 54.463 56.100 -0.005 0.000 1.182 531 R CB 0.026 30.316 30.300 -0.016 0.000 1.084 531 R HN 0.278 nan 8.270 nan 0.000 0.528 532 P HA 0.115 nan 4.420 nan 0.000 0.276 532 P C -1.106 176.129 177.300 -0.109 0.000 1.244 532 P CA -0.216 62.847 63.100 -0.061 0.000 0.801 532 P CB 0.859 32.525 31.700 -0.057 0.000 1.006 533 L N 2.696 123.837 121.223 -0.137 0.000 2.343 533 L HA 0.553 4.909 4.340 0.026 0.000 0.278 533 L C -0.917 175.818 176.870 -0.225 0.000 0.996 533 L CA -0.689 54.031 54.840 -0.200 0.000 0.831 533 L CB 0.522 42.458 42.059 -0.206 0.000 1.232 533 L HN 0.244 nan 8.230 nan 0.000 0.413 534 I N 5.850 126.293 120.570 -0.212 0.000 2.468 534 I HA 0.254 4.440 4.170 0.026 0.000 0.284 534 I C -0.706 175.326 176.117 -0.141 0.000 1.038 534 I CA -0.585 60.583 61.300 -0.220 0.000 1.083 534 I CB 1.928 39.863 38.000 -0.109 0.000 1.223 534 I HN 0.473 nan 8.210 nan 0.000 0.443 535 L N 5.658 126.766 121.223 -0.192 0.000 2.462 535 L HA 0.019 4.375 4.340 0.026 0.000 0.272 535 L C 1.484 178.426 176.870 0.121 0.000 1.166 535 L CA -0.176 54.611 54.840 -0.087 0.000 0.880 535 L CB 0.522 42.498 42.059 -0.139 0.000 1.142 535 L HN 0.851 nan 8.230 nan 0.000 0.473 536 C N 0.250 119.601 119.300 0.085 0.000 2.500 536 C HA 0.182 4.658 4.460 0.026 0.000 0.273 536 C C 0.613 175.737 174.990 0.223 0.000 1.428 536 C CA -0.309 58.795 59.018 0.144 0.000 1.766 536 C CB -1.204 26.528 27.740 -0.013 0.000 1.817 536 C HN 0.833 nan 8.230 nan 0.000 0.543 537 E N -0.689 119.586 120.200 0.125 0.000 2.347 537 E HA 0.566 4.932 4.350 0.026 0.000 0.285 537 E C -1.435 175.092 176.600 -0.123 0.000 0.925 537 E CA -0.363 56.076 56.400 0.066 0.000 0.779 537 E CB 2.075 31.671 29.700 -0.173 0.000 1.233 537 E HN 0.554 nan 8.360 nan 0.000 0.414 538 Y N -0.615 119.635 120.300 -0.084 0.000 2.741 538 Y HA 0.595 5.162 4.550 0.028 0.000 0.339 538 Y C -0.926 175.129 175.900 0.257 0.000 1.226 538 Y CA -0.743 57.338 58.100 -0.031 0.000 1.072 538 Y CB 0.512 38.814 38.460 -0.263 0.000 1.331 538 Y HN 0.687 nan 8.280 nan 0.000 0.453 539 A N 2.018 124.857 122.820 0.032 0.000 2.360 539 A HA -0.236 4.100 4.320 0.026 0.000 0.289 539 A C -0.333 177.374 177.584 0.205 0.000 1.437 539 A CA 0.988 53.058 52.037 0.055 0.000 0.734 539 A CB -2.544 16.360 19.000 -0.161 0.000 1.145 539 A HN 1.254 nan 8.150 nan 0.000 0.374 540 H N 0.778 120.005 119.070 0.262 0.000 3.191 540 H HA 0.274 4.845 4.556 0.026 0.000 0.261 540 H C 1.106 176.495 175.328 0.102 0.000 1.013 540 H CA 0.873 57.075 56.048 0.257 0.000 1.457 540 H CB 0.426 30.230 29.762 0.071 0.000 1.535 540 H HN 0.822 nan 8.280 nan 0.000 0.518 541 A N 6.647 129.392 122.820 -0.125 0.000 2.840 541 A HA 0.060 4.395 4.320 0.026 0.000 0.269 541 A C 0.904 178.371 177.584 -0.195 0.000 1.439 541 A CA -0.408 51.536 52.037 -0.155 0.000 1.083 541 A CB -0.667 18.218 19.000 -0.191 0.000 1.019 541 A HN 0.804 nan 8.150 nan 0.000 0.607 542 M N 1.488 120.980 119.600 -0.180 0.000 2.220 542 M HA 0.436 4.932 4.480 0.026 0.000 0.343 542 M C 1.030 177.241 176.300 -0.148 0.000 1.470 542 M CA 1.257 56.474 55.300 -0.137 0.000 1.161 542 M CB -0.251 32.362 32.600 0.022 0.000 1.737 542 M HN 0.827 nan 8.290 nan 0.000 0.464 543 G N 4.359 113.045 108.800 -0.191 0.000 2.574 543 G HA2 -0.353 3.623 3.960 0.026 0.000 0.286 543 G HA3 -0.353 3.623 3.960 0.026 0.000 0.286 543 G C -0.137 174.303 174.900 -0.766 0.000 1.212 543 G CA 0.143 44.946 45.100 -0.495 0.000 0.979 543 G HN 0.848 nan 8.290 nan 0.000 0.557 544 N N 1.367 119.421 118.700 -1.076 0.000 2.466 544 N HA 0.470 5.226 4.740 0.026 0.000 0.263 544 N C 0.054 175.332 175.510 -0.386 0.000 1.178 544 N CA 1.136 53.739 53.050 -0.745 0.000 0.983 544 N CB 0.405 38.477 38.487 -0.693 0.000 1.331 544 N HN 0.820 nan 8.380 nan 0.000 0.500 545 S N 2.177 117.738 115.700 -0.232 0.000 2.998 545 S HA 0.607 5.092 4.470 0.026 0.000 0.321 545 S C -0.244 174.307 174.600 -0.082 0.000 1.171 545 S CA -0.371 57.745 58.200 -0.140 0.000 0.882 545 S CB 0.118 63.264 63.200 -0.090 0.000 1.301 545 S HN 0.370 nan 8.310 nan 0.000 0.629 546 L N 0.206 121.414 121.223 -0.024 0.000 4.236 546 L HA -0.031 4.325 4.340 0.026 0.000 0.399 546 L C 0.362 177.287 176.870 0.092 0.000 1.146 546 L CA 0.893 55.749 54.840 0.027 0.000 0.947 546 L CB -1.677 40.315 42.059 -0.112 0.000 2.149 546 L HN 0.734 nan 8.230 nan 0.000 0.705 547 G N -0.779 108.045 108.800 0.041 0.000 2.378 547 G HA2 0.502 4.478 3.960 0.026 0.000 0.255 547 G HA3 0.502 4.478 3.960 0.026 0.000 0.255 547 G C 1.202 176.156 174.900 0.091 0.000 1.270 547 G CA 0.124 45.222 45.100 -0.003 0.000 0.876 547 G HN 1.454 nan 8.290 nan 0.000 0.521 548 G N 1.536 110.380 108.800 0.073 0.000 2.159 548 G HA2 -0.323 3.652 3.960 0.026 0.000 0.256 548 G HA3 -0.323 3.652 3.960 0.026 0.000 0.256 548 G C 0.975 176.058 174.900 0.306 0.000 0.977 548 G CA 0.753 45.952 45.100 0.164 0.000 0.652 548 G HN 0.805 nan 8.290 nan 0.000 0.531 549 F N 1.675 121.751 119.950 0.210 0.000 2.161 549 F HA 0.134 4.678 4.527 0.027 0.000 0.300 549 F C 2.627 178.645 175.800 0.364 0.000 1.089 549 F CA 2.382 60.580 58.000 0.330 0.000 1.282 549 F CB -0.384 38.748 39.000 0.221 0.000 1.010 549 F HN 0.344 nan 8.300 nan 0.000 0.485 550 A N -0.243 122.754 122.820 0.295 0.000 1.972 550 A HA -0.245 4.091 4.320 0.026 0.000 0.219 550 A C 2.286 179.905 177.584 0.058 0.000 1.169 550 A CA 1.776 53.919 52.037 0.177 0.000 0.635 550 A CB -0.803 18.303 19.000 0.177 0.000 0.810 550 A HN 0.459 nan 8.150 nan 0.000 0.446 551 K N -1.777 118.637 120.400 0.023 0.000 2.097 551 K HA -0.169 4.166 4.320 0.026 0.000 0.206 551 K C 1.684 178.072 176.600 -0.353 0.000 1.049 551 K CA 1.489 57.704 56.287 -0.121 0.000 0.933 551 K CB -0.304 32.126 32.500 -0.117 0.000 0.717 551 K HN 0.527 nan 8.250 nan 0.000 0.442 552 Y N -0.743 119.294 120.300 -0.438 0.000 2.163 552 Y HA -0.205 4.360 4.550 0.025 0.000 0.288 552 Y C 1.876 176.793 175.900 -1.637 0.000 1.136 552 Y CA 1.616 59.096 58.100 -1.034 0.000 1.147 552 Y CB -0.376 37.513 38.460 -0.952 0.000 0.987 552 Y HN 0.161 nan 8.280 nan 0.000 0.509 553 W N -0.079 120.788 121.300 -0.722 0.000 2.402 553 W HA -0.166 4.511 4.660 0.029 0.000 0.286 553 W C 2.569 178.922 176.519 -0.277 0.000 1.221 553 W CA 1.342 58.403 57.345 -0.473 0.000 1.257 553 W CB -0.482 28.803 29.460 -0.292 0.000 1.120 553 W HN 0.042 nan 8.180 nan 0.000 0.551 554 Q N 0.812 120.538 119.800 -0.124 0.000 2.119 554 Q HA -0.150 4.206 4.340 0.026 0.000 0.201 554 Q C 2.161 178.110 176.000 -0.085 0.000 0.972 554 Q CA 1.971 57.740 55.803 -0.057 0.000 0.847 554 Q CB -0.508 28.207 28.738 -0.038 0.000 0.903 554 Q HN 0.274 nan 8.270 nan 0.000 0.433 555 A N 0.107 122.780 122.820 -0.244 0.000 1.898 555 A HA -0.117 4.219 4.320 0.026 0.000 0.216 555 A C 1.817 179.370 177.584 -0.052 0.000 1.181 555 A CA 1.097 53.014 52.037 -0.200 0.000 0.620 555 A CB -0.782 17.965 19.000 -0.423 0.000 0.819 555 A HN 0.355 nan 8.150 nan 0.000 0.442 556 F N 0.289 120.075 119.950 -0.273 0.000 2.126 556 F HA -0.128 4.415 4.527 0.026 0.000 0.299 556 F C 2.514 178.222 175.800 -0.153 0.000 1.096 556 F CA 1.288 59.090 58.000 -0.331 0.000 1.255 556 F CB -0.814 37.762 39.000 -0.706 0.000 0.997 556 F HN 0.183 nan 8.300 nan 0.000 0.479 557 R N -0.323 120.239 120.500 0.103 0.000 2.119 557 R HA -0.119 4.237 4.340 0.026 0.000 0.222 557 R C 2.130 178.469 176.300 0.065 0.000 1.088 557 R CA 0.980 57.123 56.100 0.071 0.000 0.984 557 R CB -0.400 29.938 30.300 0.063 0.000 0.884 557 R HN 0.384 nan 8.270 nan 0.000 0.447 558 Q N -0.172 119.696 119.800 0.113 0.000 2.187 558 Q HA -0.055 4.300 4.340 0.026 0.000 0.199 558 Q C -0.442 175.590 176.000 0.053 0.000 0.957 558 Q CA 0.914 56.774 55.803 0.094 0.000 0.857 558 Q CB 0.360 29.186 28.738 0.147 0.000 0.929 558 Q HN 0.176 nan 8.270 nan 0.000 0.453 559 Y N 0.266 120.552 120.300 -0.024 0.000 2.353 559 Y HA 0.268 4.832 4.550 0.023 0.000 0.340 559 Y C -1.797 174.082 175.900 -0.036 0.000 0.972 559 Y CA -2.845 55.241 58.100 -0.024 0.000 1.157 559 Y CB 1.319 39.769 38.460 -0.016 0.000 1.157 559 Y HN 0.133 nan 8.280 nan 0.000 0.495 560 P HA -0.171 nan 4.420 nan 0.000 0.215 560 P C 1.164 178.469 177.300 0.008 0.000 1.157 560 P CA 1.883 64.987 63.100 0.007 0.000 0.874 560 P CB 0.304 31.992 31.700 -0.019 0.000 0.790 561 R N -1.192 119.333 120.500 0.040 0.000 2.307 561 R HA 0.083 4.439 4.340 0.026 0.000 0.199 561 R C 0.426 176.712 176.300 -0.023 0.000 1.000 561 R CA 0.182 56.289 56.100 0.010 0.000 1.023 561 R CB -0.477 29.841 30.300 0.030 0.000 0.908 561 R HN 0.248 nan 8.270 nan 0.000 0.473 562 L N 1.999 123.225 121.223 0.005 0.000 2.282 562 L HA 0.138 4.494 4.340 0.026 0.000 0.287 562 L C 0.463 177.202 176.870 -0.218 0.000 1.075 562 L CA 0.107 54.903 54.840 -0.075 0.000 0.839 562 L CB 1.140 43.224 42.059 0.042 0.000 1.219 562 L HN 0.063 nan 8.230 nan 0.000 0.434 563 Q N 2.960 122.560 119.800 -0.334 0.000 2.237 563 Q HA 0.321 4.677 4.340 0.026 0.000 0.252 563 Q C 0.834 176.427 176.000 -0.678 0.000 0.877 563 Q CA 0.065 55.628 55.803 -0.400 0.000 1.011 563 Q CB 0.978 29.569 28.738 -0.245 0.000 1.118 563 Q HN 0.942 nan 8.270 nan 0.000 0.458 564 G N -0.256 107.751 108.800 -1.323 0.000 2.451 564 G HA2 0.081 4.056 3.960 0.026 0.000 0.208 564 G HA3 0.081 4.056 3.960 0.026 0.000 0.208 564 G C -0.264 173.797 174.900 -1.399 0.000 1.248 564 G CA -0.742 43.220 45.100 -1.896 0.000 0.989 564 G HN 0.621 nan 8.290 nan 0.000 0.559 565 G N -2.293 105.961 108.800 -0.911 0.000 2.349 565 G HA2 0.638 4.613 3.960 0.026 0.000 0.294 565 G HA3 0.638 4.613 3.960 0.026 0.000 0.294 565 G C -1.787 173.028 174.900 -0.142 0.000 1.380 565 G CA -0.256 44.551 45.100 -0.489 0.000 0.811 565 G HN 1.157 nan 8.290 nan 0.000 0.519 566 F N 0.804 120.960 119.950 0.343 0.000 2.375 566 F HA 0.514 5.055 4.527 0.024 0.000 0.361 566 F C 0.806 176.882 175.800 0.461 0.000 1.117 566 F CA -0.775 57.466 58.000 0.402 0.000 1.037 566 F CB 1.902 41.043 39.000 0.234 0.000 1.192 566 F HN 0.238 nan 8.300 nan 0.000 0.452 567 V N 3.428 123.637 119.914 0.490 0.000 2.763 567 V HA -0.148 3.987 4.120 0.026 0.000 0.306 567 V C -0.229 175.997 176.094 0.219 0.000 1.059 567 V CA -0.199 62.191 62.300 0.151 0.000 1.138 567 V CB 0.647 32.577 31.823 0.179 0.000 0.940 567 V HN 0.766 nan 8.190 nan 0.000 0.489 568 W N 6.658 128.015 121.300 0.095 0.000 2.296 568 W HA 0.468 5.143 4.660 0.025 0.000 0.316 568 W C -0.837 175.646 176.519 -0.059 0.000 1.022 568 W CA -0.684 56.733 57.345 0.119 0.000 1.324 568 W CB 1.350 31.020 29.460 0.350 0.000 1.227 568 W HN 0.924 nan 8.180 nan 0.000 0.409 569 D N 2.651 122.700 120.400 -0.584 0.000 2.895 569 D HA 0.102 4.758 4.640 0.026 0.000 0.320 569 D C 0.707 176.754 176.300 -0.421 0.000 1.249 569 D CA -0.516 53.025 54.000 -0.765 0.000 0.997 569 D CB 0.202 39.944 40.800 -1.764 0.000 1.430 569 D HN 0.386 nan 8.370 nan 0.000 0.558 570 W N 0.362 121.329 121.300 -0.556 0.000 2.418 570 W HA 0.138 4.814 4.660 0.026 0.000 0.319 570 W C -0.027 176.250 176.519 -0.403 0.000 1.183 570 W CA 1.231 58.309 57.345 -0.446 0.000 1.327 570 W CB 0.286 29.513 29.460 -0.389 0.000 1.163 570 W HN 0.145 nan 8.180 nan 0.000 0.479 571 V N 2.755 122.399 119.914 -0.451 0.000 2.588 571 V HA 0.239 4.375 4.120 0.026 0.000 0.304 571 V C -0.805 175.074 176.094 -0.359 0.000 1.042 571 V CA -0.810 61.182 62.300 -0.514 0.000 0.877 571 V CB 1.413 33.044 31.823 -0.319 0.000 0.996 571 V HN -0.074 nan 8.190 nan 0.000 0.425 572 D N 4.319 124.505 120.400 -0.356 0.000 2.533 572 D HA 0.044 4.700 4.640 0.026 0.000 0.236 572 D C 0.382 176.533 176.300 -0.249 0.000 1.137 572 D CA 0.742 54.600 54.000 -0.236 0.000 0.867 572 D CB 0.883 41.634 40.800 -0.082 0.000 1.170 572 D HN 0.634 nan 8.370 nan 0.000 0.474 573 Q N 1.118 120.702 119.800 -0.361 0.000 2.894 573 Q HA 0.100 4.455 4.340 0.026 0.000 0.358 573 Q C -0.052 175.862 176.000 -0.144 0.000 1.155 573 Q CA -0.296 55.071 55.803 -0.727 0.000 0.960 573 Q CB 0.069 28.472 28.738 -0.559 0.000 1.428 573 Q HN 0.361 nan 8.270 nan 0.000 0.437 574 S N -0.371 115.378 115.700 0.083 0.000 2.616 574 S HA 0.605 5.091 4.470 0.026 0.000 0.277 574 S C -0.110 174.661 174.600 0.285 0.000 1.234 574 S CA -0.749 57.617 58.200 0.276 0.000 1.028 574 S CB 1.420 64.769 63.200 0.247 0.000 0.988 574 S HN 0.299 nan 8.310 nan 0.000 0.522 575 L N 1.755 123.076 121.223 0.165 0.000 2.333 575 L HA 0.530 4.886 4.340 0.026 0.000 0.269 575 L C -0.424 176.361 176.870 -0.141 0.000 1.010 575 L CA -1.261 53.560 54.840 -0.031 0.000 0.818 575 L CB 1.413 43.332 42.059 -0.233 0.000 1.306 575 L HN 0.561 nan 8.230 nan 0.000 0.430 576 I N 2.193 122.627 120.570 -0.227 0.000 2.416 576 I HA 0.281 4.466 4.170 0.026 0.000 0.288 576 I C 0.066 175.791 176.117 -0.653 0.000 1.051 576 I CA -0.029 61.000 61.300 -0.451 0.000 1.375 576 I CB 0.627 38.382 38.000 -0.408 0.000 1.407 576 I HN 0.569 nan 8.210 nan 0.000 0.516 577 K N 5.422 125.149 120.400 -1.122 0.000 2.395 577 K HA 0.589 4.925 4.320 0.026 0.000 0.247 577 K C -1.575 174.245 176.600 -1.300 0.000 0.973 577 K CA -0.757 54.810 56.287 -1.200 0.000 0.828 577 K CB 2.518 33.981 32.500 -1.728 0.000 1.272 577 K HN 0.239 nan 8.250 nan 0.000 0.439 578 Y N 0.821 120.888 120.300 -0.389 0.000 2.364 578 Y HA 0.139 4.705 4.550 0.026 0.000 0.340 578 Y C 0.260 176.257 175.900 0.162 0.000 0.975 578 Y CA -1.126 56.922 58.100 -0.086 0.000 1.089 578 Y CB 1.156 39.582 38.460 -0.058 0.000 1.192 578 Y HN 0.691 nan 8.280 nan 0.000 0.454 579 D N 0.102 120.756 120.400 0.422 0.000 2.425 579 D HA 0.045 4.701 4.640 0.026 0.000 0.274 579 D C 1.138 177.551 176.300 0.189 0.000 1.242 579 D CA -0.147 54.045 54.000 0.321 0.000 1.060 579 D CB 0.316 41.246 40.800 0.217 0.000 1.112 579 D HN 0.698 nan 8.370 nan 0.000 0.561 580 E N -0.323 119.949 120.200 0.121 0.000 2.033 580 E HA -0.304 4.061 4.350 0.026 0.000 0.199 580 E C 1.096 177.741 176.600 0.075 0.000 1.011 580 E CA 1.160 57.608 56.400 0.078 0.000 0.815 580 E CB -0.639 29.091 29.700 0.050 0.000 0.755 580 E HN 0.334 nan 8.360 nan 0.000 0.451 581 N N 0.891 119.639 118.700 0.080 0.000 2.626 581 N HA -0.015 4.740 4.740 0.026 0.000 0.193 581 N C 0.846 176.409 175.510 0.088 0.000 1.213 581 N CA 1.119 54.211 53.050 0.071 0.000 0.914 581 N CB 0.532 39.060 38.487 0.068 0.000 0.994 581 N HN 0.561 nan 8.380 nan 0.000 0.447 582 G N 1.049 109.922 108.800 0.121 0.000 2.153 582 G HA2 -0.315 3.661 3.960 0.026 0.000 0.252 582 G HA3 -0.315 3.661 3.960 0.026 0.000 0.252 582 G C 0.043 175.093 174.900 0.249 0.000 0.994 582 G CA 0.075 45.266 45.100 0.152 0.000 0.698 582 G HN 0.459 nan 8.290 nan 0.000 0.521 583 N N 1.557 120.391 118.700 0.223 0.000 2.458 583 N HA 0.488 5.243 4.740 0.026 0.000 0.270 583 N C -1.703 173.928 175.510 0.202 0.000 1.102 583 N CA -1.501 51.671 53.050 0.205 0.000 0.967 583 N CB 1.431 40.013 38.487 0.157 0.000 1.078 583 N HN 0.174 nan 8.380 nan 0.000 0.471 584 P HA 0.181 nan 4.420 nan 0.000 0.275 584 P C -0.830 176.394 177.300 -0.127 0.000 1.227 584 P CA -0.274 62.635 63.100 -0.318 0.000 0.781 584 P CB 0.406 31.870 31.700 -0.394 0.000 0.906 585 W N 0.057 121.118 121.300 -0.399 0.000 3.031 585 W HA 0.450 5.125 4.660 0.026 0.000 0.337 585 W C -1.254 175.086 176.519 -0.298 0.000 1.187 585 W CA -1.215 55.906 57.345 -0.374 0.000 1.166 585 W CB 0.379 29.388 29.460 -0.753 0.000 1.437 585 W HN 0.129 nan 8.180 nan 0.000 0.551 586 S N 1.505 117.272 115.700 0.112 0.000 2.448 586 S HA 0.540 5.026 4.470 0.026 0.000 0.279 586 S C 0.154 174.917 174.600 0.273 0.000 1.195 586 S CA -0.239 58.028 58.200 0.112 0.000 1.051 586 S CB 0.590 63.909 63.200 0.199 0.000 0.948 586 S HN 0.585 nan 8.310 nan 0.000 0.493 587 A N 3.365 126.210 122.820 0.042 0.000 2.337 587 A HA 0.884 5.219 4.320 0.026 0.000 0.331 587 A C -0.615 177.216 177.584 0.411 0.000 1.137 587 A CA -0.826 51.284 52.037 0.122 0.000 0.807 587 A CB 0.715 19.456 19.000 -0.433 0.000 1.250 587 A HN 0.870 nan 8.150 nan 0.000 0.468 588 Y N -0.732 119.896 120.300 0.547 0.000 2.944 588 Y HA 0.776 5.342 4.550 0.026 0.000 0.312 588 Y C 0.760 177.038 175.900 0.630 0.000 1.417 588 Y CA -1.178 57.248 58.100 0.544 0.000 1.105 588 Y CB 0.048 38.654 38.460 0.242 0.000 1.364 588 Y HN 0.903 nan 8.280 nan 0.000 0.540 589 G N -0.081 109.122 108.800 0.672 0.000 2.187 589 G HA2 0.320 4.295 3.960 0.026 0.000 0.239 589 G HA3 0.320 4.295 3.960 0.026 0.000 0.239 589 G C 0.979 176.216 174.900 0.561 0.000 1.200 589 G CA 0.519 45.941 45.100 0.537 0.000 0.888 589 G HN 1.944 nan 8.290 nan 0.000 0.482 590 G N 2.142 111.235 108.800 0.489 0.000 2.284 590 G HA2 -0.292 3.683 3.960 0.026 0.000 0.247 590 G HA3 -0.292 3.683 3.960 0.026 0.000 0.247 590 G C 0.934 176.036 174.900 0.337 0.000 1.012 590 G CA 0.690 46.013 45.100 0.371 0.000 0.618 590 G HN 0.659 nan 8.290 nan 0.000 0.521 591 D N -0.122 120.493 120.400 0.358 0.000 2.392 591 D HA 0.123 4.779 4.640 0.026 0.000 0.228 591 D C 1.203 177.409 176.300 -0.158 0.000 1.003 591 D CA 0.565 54.624 54.000 0.099 0.000 0.917 591 D CB -0.193 40.613 40.800 0.011 0.000 0.890 591 D HN 0.487 nan 8.370 nan 0.000 0.532 592 F N -0.904 119.170 119.950 0.207 0.000 2.683 592 F HA 0.299 4.842 4.527 0.026 0.000 0.306 592 F C 1.781 177.665 175.800 0.140 0.000 1.102 592 F CA -0.192 57.890 58.000 0.136 0.000 1.244 592 F CB 0.831 39.905 39.000 0.123 0.000 1.029 592 F HN -0.047 nan 8.300 nan 0.000 0.545 593 G N 0.461 109.423 108.800 0.270 0.000 2.179 593 G HA2 -0.275 3.701 3.960 0.026 0.000 0.260 593 G HA3 -0.275 3.701 3.960 0.026 0.000 0.260 593 G C -0.177 174.860 174.900 0.228 0.000 0.977 593 G CA 0.140 45.362 45.100 0.204 0.000 0.641 593 G HN 0.412 nan 8.290 nan 0.000 0.533 594 D N 0.523 121.108 120.400 0.308 0.000 2.401 594 D HA 0.474 5.130 4.640 0.026 0.000 0.254 594 D C 0.007 176.429 176.300 0.203 0.000 1.192 594 D CA 0.937 55.105 54.000 0.280 0.000 0.885 594 D CB 1.543 42.568 40.800 0.375 0.000 1.147 594 D HN 0.240 nan 8.370 nan 0.000 0.478 595 T N 1.662 116.305 114.554 0.149 0.000 3.097 595 T HA 0.426 4.792 4.350 0.026 0.000 0.332 595 T C -2.695 172.044 174.700 0.065 0.000 1.269 595 T CA -1.156 61.002 62.100 0.097 0.000 1.076 595 T CB 1.136 70.060 68.868 0.092 0.000 1.209 595 T HN 0.199 nan 8.240 nan 0.000 0.474 596 P HA 0.487 nan 4.420 nan 0.000 0.272 596 P C -0.969 176.317 177.300 -0.024 0.000 1.230 596 P CA -0.324 62.772 63.100 -0.006 0.000 0.788 596 P CB 0.410 32.083 31.700 -0.046 0.000 0.949 597 N N -1.554 117.122 118.700 -0.040 0.000 2.732 597 N HA 0.293 5.049 4.740 0.026 0.000 0.259 597 N C -1.208 174.228 175.510 -0.123 0.000 1.402 597 N CA -0.740 52.260 53.050 -0.083 0.000 0.829 597 N CB 0.937 39.471 38.487 0.078 0.000 1.495 597 N HN 0.084 nan 8.380 nan 0.000 0.511 598 D N -0.229 120.040 120.400 -0.219 0.000 2.593 598 D HA 0.136 4.792 4.640 0.026 0.000 0.241 598 D C 0.429 176.859 176.300 0.216 0.000 1.257 598 D CA -0.142 53.794 54.000 -0.106 0.000 0.828 598 D CB 0.268 40.885 40.800 -0.305 0.000 1.049 598 D HN 0.711 nan 8.370 nan 0.000 0.490 599 R N 0.950 121.617 120.500 0.277 0.000 3.707 599 R HA -0.326 4.030 4.340 0.026 0.000 0.504 599 R C 1.176 177.526 176.300 0.083 0.000 0.241 599 R CA 1.531 57.821 56.100 0.316 0.000 1.576 599 R CB -1.691 28.701 30.300 0.154 0.000 0.924 599 R HN 0.176 nan 8.270 nan 0.000 0.597 600 Q N 1.733 121.235 119.800 -0.496 0.000 2.515 600 Q HA -0.045 4.310 4.340 0.026 0.000 0.214 600 Q C 1.525 177.368 176.000 -0.261 0.000 0.971 600 Q CA 1.430 56.800 55.803 -0.721 0.000 0.952 600 Q CB -0.097 28.018 28.738 -1.038 0.000 0.999 600 Q HN 0.625 nan 8.270 nan 0.000 0.524 601 F N 1.617 121.473 119.950 -0.156 0.000 2.699 601 F HA -0.083 4.459 4.527 0.025 0.000 0.298 601 F C 1.755 177.512 175.800 -0.073 0.000 1.154 601 F CA 0.670 58.661 58.000 -0.014 0.000 1.457 601 F CB 0.260 39.323 39.000 0.105 0.000 1.106 601 F HN 0.397 nan 8.300 nan 0.000 0.585 602 C N -0.611 118.357 119.300 -0.553 0.000 2.626 602 C HA 0.310 4.786 4.460 0.026 0.000 0.266 602 C C 0.761 175.498 174.990 -0.421 0.000 1.317 602 C CA -0.573 57.965 59.018 -0.799 0.000 1.716 602 C CB -1.788 24.978 27.740 -1.623 0.000 1.819 602 C HN 0.219 nan 8.230 nan 0.000 0.578 603 M N 2.589 122.000 119.600 -0.315 0.000 2.027 603 M HA 0.294 4.790 4.480 0.026 0.000 0.329 603 M C -0.538 175.628 176.300 -0.223 0.000 0.971 603 M CA 0.333 55.507 55.300 -0.209 0.000 0.933 603 M CB 0.185 32.728 32.600 -0.096 0.000 1.392 603 M HN 0.364 nan 8.290 nan 0.000 0.394 604 N N 0.736 119.278 118.700 -0.262 0.000 2.232 604 N HA 0.191 4.947 4.740 0.026 0.000 0.240 604 N C 0.377 175.660 175.510 -0.379 0.000 1.307 604 N CA -0.532 52.319 53.050 -0.331 0.000 0.859 604 N CB 1.216 39.500 38.487 -0.338 0.000 1.260 604 N HN 0.652 nan 8.380 nan 0.000 0.501 605 G N 0.062 108.616 108.800 -0.410 0.000 2.537 605 G HA2 0.343 4.318 3.960 0.026 0.000 0.273 605 G HA3 0.343 4.318 3.960 0.026 0.000 0.273 605 G C 0.685 175.145 174.900 -0.734 0.000 1.189 605 G CA -0.537 44.222 45.100 -0.569 0.000 0.881 605 G HN 0.112 nan 8.290 nan 0.000 0.535 606 L N -0.084 120.691 121.223 -0.746 0.000 2.395 606 L HA 0.132 4.487 4.340 0.026 0.000 0.218 606 L C 0.839 177.102 176.870 -1.011 0.000 1.130 606 L CA 0.305 54.724 54.840 -0.701 0.000 0.826 606 L CB -0.291 41.482 42.059 -0.476 0.000 0.941 606 L HN 0.394 nan 8.230 nan 0.000 0.451 607 V N -5.239 113.925 119.914 -1.249 0.000 2.962 607 V HA 0.490 4.625 4.120 0.026 0.000 0.313 607 V C -0.212 175.324 176.094 -0.930 0.000 1.099 607 V CA -1.249 60.424 62.300 -1.045 0.000 0.971 607 V CB 1.669 32.947 31.823 -0.908 0.000 1.028 607 V HN -0.160 nan 8.190 nan 0.000 0.430 608 F N 1.643 121.372 119.950 -0.369 0.000 2.480 608 F HA 0.578 5.121 4.527 0.027 0.000 0.319 608 F C 1.944 177.637 175.800 -0.178 0.000 1.230 608 F CA 0.681 58.614 58.000 -0.110 0.000 1.285 608 F CB 0.671 39.674 39.000 0.006 0.000 1.208 608 F HN 0.786 nan 8.300 nan 0.000 0.579 609 A N 0.604 123.499 122.820 0.125 0.000 1.978 609 A HA -0.205 4.130 4.320 0.026 0.000 0.220 609 A C 1.657 179.210 177.584 -0.051 0.000 1.170 609 A CA 1.860 53.919 52.037 0.036 0.000 0.636 609 A CB -0.983 18.078 19.000 0.102 0.000 0.810 609 A HN 0.778 nan 8.150 nan 0.000 0.448 610 D N -2.778 117.609 120.400 -0.021 0.000 2.328 610 D HA 0.092 4.747 4.640 0.026 0.000 0.226 610 D C 0.612 176.884 176.300 -0.046 0.000 1.066 610 D CA 0.052 54.007 54.000 -0.074 0.000 0.861 610 D CB -0.142 40.621 40.800 -0.062 0.000 0.912 610 D HN 0.180 nan 8.370 nan 0.000 0.521 611 R N -1.577 118.895 120.500 -0.046 0.000 3.919 611 R HA -0.119 4.236 4.340 0.026 0.000 0.412 611 R C -0.377 175.908 176.300 -0.025 0.000 1.102 611 R CA 1.022 57.081 56.100 -0.068 0.000 1.082 611 R CB -3.206 27.090 30.300 -0.006 0.000 1.671 611 R HN 0.246 nan 8.270 nan 0.000 0.540 612 T N 2.223 116.818 114.554 0.068 0.000 2.901 612 T HA 0.350 4.715 4.350 0.026 0.000 0.301 612 T C -2.311 172.490 174.700 0.169 0.000 1.012 612 T CA -0.812 61.366 62.100 0.129 0.000 1.135 612 T CB 1.076 70.029 68.868 0.142 0.000 0.936 612 T HN -0.089 nan 8.240 nan 0.000 0.539 613 P HA 0.180 nan 4.420 nan 0.000 0.275 613 P C -0.141 177.190 177.300 0.051 0.000 1.227 613 P CA -0.228 62.854 63.100 -0.031 0.000 0.781 613 P CB 0.416 32.110 31.700 -0.011 0.000 0.906 614 H N 2.922 121.812 119.070 -0.299 0.000 2.508 614 H HA 0.121 4.693 4.556 0.026 0.000 0.358 614 H C -1.333 173.890 175.328 -0.175 0.000 1.212 614 H CA -1.944 53.897 56.048 -0.345 0.000 1.356 614 H CB 0.501 30.016 29.762 -0.411 0.000 1.525 614 H HN 0.341 nan 8.280 nan 0.000 0.578 615 P HA -0.183 nan 4.420 nan 0.000 0.218 615 P C 1.145 178.444 177.300 -0.002 0.000 1.148 615 P CA 1.604 64.693 63.100 -0.020 0.000 0.822 615 P CB 0.071 31.762 31.700 -0.016 0.000 0.784 616 A N -0.454 122.369 122.820 0.004 0.000 1.978 616 A HA -0.215 4.121 4.320 0.026 0.000 0.220 616 A C 2.078 179.609 177.584 -0.087 0.000 1.170 616 A CA 1.456 53.460 52.037 -0.055 0.000 0.636 616 A CB -1.666 17.284 19.000 -0.082 0.000 0.810 616 A HN 0.163 nan 8.150 nan 0.000 0.448 617 L N -0.381 120.805 121.223 -0.061 0.000 2.081 617 L HA -0.159 4.197 4.340 0.026 0.000 0.212 617 L C 2.518 179.425 176.870 0.062 0.000 1.080 617 L CA 2.823 57.660 54.840 -0.006 0.000 0.754 617 L CB -1.141 40.909 42.059 -0.015 0.000 0.893 617 L HN 0.411 nan 8.230 nan 0.000 0.433 618 T N -1.793 112.803 114.554 0.070 0.000 2.867 618 T HA -0.182 4.184 4.350 0.026 0.000 0.268 618 T C 1.802 176.607 174.700 0.175 0.000 1.057 618 T CA 1.346 63.543 62.100 0.162 0.000 1.136 618 T CB -0.116 68.828 68.868 0.127 0.000 0.874 618 T HN 0.483 nan 8.240 nan 0.000 0.466 619 E N 0.767 121.009 120.200 0.069 0.000 2.106 619 E HA 0.061 4.427 4.350 0.026 0.000 0.192 619 E C 2.127 178.727 176.600 -0.001 0.000 0.984 619 E CA 1.346 57.789 56.400 0.073 0.000 0.806 619 E CB -0.571 29.139 29.700 0.017 0.000 0.750 619 E HN 0.544 nan 8.360 nan 0.000 0.458 620 A N 0.908 123.611 122.820 -0.195 0.000 1.898 620 A HA -0.179 4.156 4.320 0.026 0.000 0.216 620 A C 2.156 179.606 177.584 -0.223 0.000 1.181 620 A CA 1.760 53.614 52.037 -0.306 0.000 0.620 620 A CB -0.584 18.208 19.000 -0.348 0.000 0.819 620 A HN 0.252 nan 8.150 nan 0.000 0.442 621 K N -1.100 119.253 120.400 -0.078 0.000 2.032 621 K HA -0.298 4.038 4.320 0.026 0.000 0.209 621 K C 2.078 178.564 176.600 -0.190 0.000 1.048 621 K CA 2.070 58.326 56.287 -0.051 0.000 0.927 621 K CB -0.386 32.236 32.500 0.204 0.000 0.712 621 K HN 0.624 nan 8.250 nan 0.000 0.441 622 H N 0.499 119.376 119.070 -0.322 0.000 2.290 622 H HA -0.073 4.499 4.556 0.027 0.000 0.298 622 H C 2.001 177.059 175.328 -0.451 0.000 1.087 622 H CA 2.025 57.697 56.048 -0.627 0.000 1.291 622 H CB -0.047 29.404 29.762 -0.517 0.000 1.369 622 H HN 0.245 nan 8.280 nan 0.000 0.492 623 Q N 0.210 119.761 119.800 -0.416 0.000 2.291 623 Q HA -0.096 4.259 4.340 0.026 0.000 0.206 623 Q C 1.512 176.980 176.000 -0.886 0.000 0.976 623 Q CA 1.235 56.718 55.803 -0.533 0.000 0.875 623 Q CB 0.007 28.594 28.738 -0.252 0.000 0.927 623 Q HN 0.714 nan 8.270 nan 0.000 0.450 624 Q N 0.050 119.293 119.800 -0.929 0.000 2.246 624 Q HA 0.095 4.451 4.340 0.026 0.000 0.202 624 Q C -0.224 175.233 176.000 -0.904 0.000 0.883 624 Q CA -0.225 54.876 55.803 -1.170 0.000 0.952 624 Q CB 0.410 28.483 28.738 -1.108 0.000 1.078 624 Q HN 0.374 nan 8.270 nan 0.000 0.493 625 Q N -0.300 119.119 119.800 -0.635 0.000 2.349 625 Q HA -0.033 4.323 4.340 0.026 0.000 0.287 625 Q C -0.157 175.529 176.000 -0.524 0.000 1.044 625 Q CA 0.367 55.932 55.803 -0.396 0.000 0.918 625 Q CB 0.453 29.048 28.738 -0.238 0.000 1.242 625 Q HN 0.312 nan 8.270 nan 0.000 0.405 626 F N 0.741 120.483 119.950 -0.346 0.000 2.765 626 F HA 0.191 4.733 4.527 0.026 0.000 0.302 626 F C -0.178 175.105 175.800 -0.862 0.000 1.111 626 F CA 0.041 57.612 58.000 -0.716 0.000 1.359 626 F CB 0.468 38.742 39.000 -1.209 0.000 1.097 626 F HN 0.321 nan 8.300 nan 0.000 0.577 627 F N 0.314 120.195 119.950 -0.115 0.000 2.518 627 F HA 0.468 5.011 4.527 0.027 0.000 0.323 627 F C -0.141 175.331 175.800 -0.547 0.000 1.129 627 F CA -1.183 56.643 58.000 -0.290 0.000 0.920 627 F CB 1.307 40.171 39.000 -0.226 0.000 1.160 627 F HN -0.311 nan 8.300 nan 0.000 0.440 628 Q N 3.072 122.632 119.800 -0.400 0.000 2.257 628 Q HA 0.607 4.963 4.340 0.026 0.000 0.262 628 Q C -1.285 174.421 176.000 -0.489 0.000 0.997 628 Q CA -0.600 55.008 55.803 -0.325 0.000 0.873 628 Q CB 2.658 31.326 28.738 -0.117 0.000 1.312 628 Q HN 0.508 nan 8.270 nan 0.000 0.450 629 F N 0.030 120.115 119.950 0.226 0.000 2.588 629 F HA 0.618 5.161 4.527 0.027 0.000 0.314 629 F C 0.328 176.370 175.800 0.405 0.000 1.069 629 F CA -0.900 57.308 58.000 0.348 0.000 0.931 629 F CB 1.856 41.200 39.000 0.573 0.000 1.260 629 F HN 0.098 nan 8.300 nan 0.000 0.465 630 R N 1.544 122.339 120.500 0.493 0.000 2.651 630 R HA 0.634 4.990 4.340 0.026 0.000 0.278 630 R C -2.066 174.253 176.300 0.031 0.000 1.010 630 R CA -1.137 55.152 56.100 0.315 0.000 0.896 630 R CB 3.071 33.472 30.300 0.168 0.000 1.211 630 R HN 0.589 nan 8.270 nan 0.000 0.456 631 L N 1.005 122.134 121.223 -0.158 0.000 2.322 631 L HA 0.521 4.876 4.340 0.026 0.000 0.281 631 L C -0.822 175.908 176.870 -0.233 0.000 1.014 631 L CA 0.036 54.592 54.840 -0.474 0.000 0.815 631 L CB 1.978 43.367 42.059 -1.117 0.000 1.247 631 L HN 0.568 nan 8.230 nan 0.000 0.421 632 S N 3.914 119.493 115.700 -0.200 0.000 2.721 632 S HA 0.674 5.160 4.470 0.026 0.000 0.264 632 S C 0.292 174.812 174.600 -0.133 0.000 1.161 632 S CA 0.247 58.372 58.200 -0.125 0.000 1.113 632 S CB 0.105 63.258 63.200 -0.077 0.000 1.079 632 S HN 1.566 nan 8.310 nan 0.000 0.479 633 G N 4.522 113.245 108.800 -0.128 0.000 2.601 633 G HA2 -0.293 3.683 3.960 0.026 0.000 0.306 633 G HA3 -0.293 3.683 3.960 0.026 0.000 0.306 633 G C 0.318 175.125 174.900 -0.156 0.000 1.172 633 G CA 0.681 45.710 45.100 -0.118 0.000 0.966 633 G HN 0.684 nan 8.290 nan 0.000 0.542 634 Q N 0.676 120.384 119.800 -0.153 0.000 2.179 634 Q HA 0.291 4.646 4.340 0.026 0.000 0.213 634 Q C -0.179 175.695 176.000 -0.209 0.000 0.833 634 Q CA 0.299 55.989 55.803 -0.190 0.000 0.990 634 Q CB 1.047 29.687 28.738 -0.164 0.000 1.132 634 Q HN 0.413 nan 8.270 nan 0.000 0.493 635 T N 1.510 115.954 114.554 -0.184 0.000 2.749 635 T HA 0.359 4.725 4.350 0.026 0.000 0.287 635 T C -0.238 174.349 174.700 -0.188 0.000 0.970 635 T CA -0.336 61.667 62.100 -0.162 0.000 0.980 635 T CB 1.066 69.869 68.868 -0.107 0.000 0.924 635 T HN 0.017 nan 8.240 nan 0.000 0.456 636 I N 3.244 123.711 120.570 -0.172 0.000 2.331 636 I HA 0.317 4.502 4.170 0.026 0.000 0.292 636 I C 0.566 176.677 176.117 -0.008 0.000 0.998 636 I CA -0.607 60.609 61.300 -0.140 0.000 1.267 636 I CB 1.337 39.271 38.000 -0.110 0.000 1.386 636 I HN 0.701 nan 8.210 nan 0.000 0.476 637 E N 6.311 126.539 120.200 0.047 0.000 2.133 637 E HA 0.447 4.813 4.350 0.026 0.000 0.274 637 E C -1.507 175.177 176.600 0.140 0.000 0.930 637 E CA -0.508 55.938 56.400 0.076 0.000 0.770 637 E CB 1.596 31.326 29.700 0.051 0.000 1.104 637 E HN 0.345 nan 8.360 nan 0.000 0.403 638 V N 4.256 124.234 119.914 0.107 0.000 2.394 638 V HA 0.312 4.448 4.120 0.026 0.000 0.282 638 V C -0.018 176.092 176.094 0.026 0.000 1.031 638 V CA -0.522 61.807 62.300 0.048 0.000 0.881 638 V CB 1.633 33.505 31.823 0.082 0.000 0.982 638 V HN 0.702 nan 8.190 nan 0.000 0.451 639 T N 3.375 117.911 114.554 -0.030 0.000 2.807 639 T HA 0.353 4.719 4.350 0.026 0.000 0.279 639 T C -0.047 174.664 174.700 0.018 0.000 0.993 639 T CA -0.273 61.826 62.100 -0.002 0.000 0.970 639 T CB 1.566 70.414 68.868 -0.033 0.000 0.950 639 T HN 0.683 nan 8.240 nan 0.000 0.441 640 S N 1.816 117.537 115.700 0.034 0.000 2.525 640 S HA 0.232 4.718 4.470 0.026 0.000 0.278 640 S C 0.693 175.171 174.600 -0.204 0.000 1.234 640 S CA -0.575 57.576 58.200 -0.081 0.000 1.058 640 S CB 0.587 63.822 63.200 0.058 0.000 0.983 640 S HN 0.715 nan 8.310 nan 0.000 0.495 641 E N 2.904 122.875 120.200 -0.381 0.000 2.465 641 E HA 0.097 4.463 4.350 0.026 0.000 0.195 641 E C -0.874 175.533 176.600 -0.322 0.000 1.028 641 E CA -0.110 56.104 56.400 -0.310 0.000 0.899 641 E CB 0.288 29.794 29.700 -0.323 0.000 1.032 641 E HN 0.643 nan 8.360 nan 0.000 0.468 642 Y N 0.434 120.602 120.300 -0.220 0.000 2.346 642 Y HA 0.039 4.605 4.550 0.026 0.000 0.330 642 Y C 1.341 177.058 175.900 -0.304 0.000 1.178 642 Y CA 0.239 58.199 58.100 -0.234 0.000 1.331 642 Y CB 0.702 39.006 38.460 -0.260 0.000 1.253 642 Y HN -0.038 nan 8.280 nan 0.000 0.529 643 L N 1.241 122.275 121.223 -0.315 0.000 2.408 643 L HA 0.032 4.388 4.340 0.026 0.000 0.215 643 L C 0.644 177.013 176.870 -0.836 0.000 1.081 643 L CA 0.623 55.014 54.840 -0.748 0.000 0.840 643 L CB 0.008 41.289 42.059 -1.298 0.000 1.002 643 L HN 0.556 nan 8.230 nan 0.000 0.468 644 F N -0.641 119.319 119.950 0.018 0.000 2.699 644 F HA 0.216 4.758 4.527 0.024 0.000 0.295 644 F C 1.228 177.017 175.800 -0.017 0.000 1.052 644 F CA -0.775 57.213 58.000 -0.019 0.000 1.239 644 F CB 0.033 39.001 39.000 -0.053 0.000 1.018 644 F HN -0.127 nan 8.300 nan 0.000 0.627 645 R N 0.049 120.590 120.500 0.069 0.000 2.598 645 R HA 0.413 4.769 4.340 0.026 0.000 0.279 645 R C -0.509 175.780 176.300 -0.019 0.000 0.984 645 R CA -0.570 55.523 56.100 -0.011 0.000 0.999 645 R CB 0.796 30.979 30.300 -0.195 0.000 1.114 645 R HN 0.101 nan 8.270 nan 0.000 0.493 646 H N 0.305 119.353 119.070 -0.036 0.000 2.508 646 H HA 0.086 4.658 4.556 0.026 0.000 0.358 646 H C 0.128 175.468 175.328 0.019 0.000 1.212 646 H CA -0.009 56.051 56.048 0.021 0.000 1.356 646 H CB 1.767 31.547 29.762 0.029 0.000 1.525 646 H HN 0.777 nan 8.280 nan 0.000 0.578 647 S N 1.000 116.822 115.700 0.204 0.000 4.183 647 S HA -0.055 4.430 4.470 0.026 0.000 0.195 647 S C 0.424 175.112 174.600 0.146 0.000 1.421 647 S CA -0.682 57.649 58.200 0.218 0.000 0.920 647 S CB -0.694 62.671 63.200 0.276 0.000 1.525 647 S HN 0.584 nan 8.310 nan 0.000 0.447 648 D N 0.819 121.284 120.400 0.107 0.000 2.319 648 D HA 0.013 4.669 4.640 0.026 0.000 0.230 648 D C 0.335 176.668 176.300 0.054 0.000 1.094 648 D CA -0.150 53.893 54.000 0.072 0.000 0.856 648 D CB -0.376 40.453 40.800 0.048 0.000 0.915 648 D HN 0.529 nan 8.370 nan 0.000 0.517 649 N N -0.035 118.708 118.700 0.072 0.000 2.604 649 N HA 0.123 4.878 4.740 0.026 0.000 0.284 649 N C -1.539 174.031 175.510 0.100 0.000 1.716 649 N CA -0.187 52.903 53.050 0.067 0.000 0.859 649 N CB 0.408 38.927 38.487 0.053 0.000 1.403 649 N HN -0.074 nan 8.380 nan 0.000 0.501 650 E N -0.245 120.007 120.200 0.086 0.000 2.366 650 E HA 0.617 4.983 4.350 0.026 0.000 0.278 650 E C -1.547 175.073 176.600 0.033 0.000 0.923 650 E CA -0.796 55.648 56.400 0.074 0.000 0.761 650 E CB 2.144 31.866 29.700 0.037 0.000 1.231 650 E HN 0.243 nan 8.360 nan 0.000 0.443 651 L N -0.379 120.865 121.223 0.034 0.000 2.472 651 L HA 0.685 5.040 4.340 0.026 0.000 0.260 651 L C -1.776 175.106 176.870 0.019 0.000 0.963 651 L CA -0.939 53.902 54.840 0.001 0.000 0.829 651 L CB 1.151 43.187 42.059 -0.038 0.000 1.348 651 L HN 0.495 nan 8.230 nan 0.000 0.408 652 L N 3.340 124.580 121.223 0.029 0.000 2.264 652 L HA 0.523 4.878 4.340 0.026 0.000 0.289 652 L C -0.488 176.445 176.870 0.105 0.000 1.044 652 L CA 0.277 55.188 54.840 0.118 0.000 0.807 652 L CB 0.214 42.376 42.059 0.172 0.000 1.192 652 L HN 0.609 nan 8.230 nan 0.000 0.425 653 H N 5.697 124.859 119.070 0.153 0.000 2.473 653 H HA 0.367 4.939 4.556 0.026 0.000 0.327 653 H C -1.110 174.326 175.328 0.180 0.000 1.105 653 H CA -0.169 55.934 56.048 0.091 0.000 1.280 653 H CB 1.013 30.793 29.762 0.031 0.000 1.450 653 H HN 0.698 nan 8.280 nan 0.000 0.492 654 W N 4.481 125.885 121.300 0.173 0.000 2.936 654 W HA 0.567 5.242 4.660 0.026 0.000 0.338 654 W C -1.534 175.055 176.519 0.115 0.000 1.121 654 W CA -1.288 56.137 57.345 0.132 0.000 1.209 654 W CB 1.463 30.979 29.460 0.093 0.000 1.420 654 W HN 0.434 nan 8.180 nan 0.000 0.516 655 M N 2.506 122.279 119.600 0.289 0.000 2.365 655 M HA 0.610 5.106 4.480 0.026 0.000 0.287 655 M C -2.352 174.118 176.300 0.284 0.000 1.154 655 M CA -0.844 54.510 55.300 0.090 0.000 0.941 655 M CB 1.807 34.383 32.600 -0.040 0.000 1.704 655 M HN 0.101 nan 8.290 nan 0.000 0.479 656 V N 2.398 122.478 119.914 0.277 0.000 2.459 656 V HA 0.960 5.096 4.120 0.026 0.000 0.295 656 V C -0.141 176.055 176.094 0.171 0.000 1.029 656 V CA -0.342 62.122 62.300 0.273 0.000 0.874 656 V CB 1.448 33.454 31.823 0.305 0.000 0.985 656 V HN 1.036 nan 8.190 nan 0.000 0.438 657 A N 4.413 127.344 122.820 0.186 0.000 2.475 657 A HA 0.854 5.190 4.320 0.026 0.000 0.301 657 A C -1.413 176.282 177.584 0.185 0.000 1.059 657 A CA -0.622 51.492 52.037 0.128 0.000 0.710 657 A CB 1.696 20.726 19.000 0.051 0.000 1.288 657 A HN 0.841 nan 8.150 nan 0.000 0.408 658 L N 1.801 123.101 121.223 0.128 0.000 2.262 658 L HA 0.458 4.814 4.340 0.026 0.000 0.288 658 L C -0.418 176.534 176.870 0.138 0.000 1.035 658 L CA 0.194 55.125 54.840 0.152 0.000 0.820 658 L CB 0.059 42.176 42.059 0.097 0.000 1.204 658 L HN 0.750 nan 8.230 nan 0.000 0.424 659 D N 4.992 125.537 120.400 0.241 0.000 2.755 659 D HA -0.230 4.426 4.640 0.026 0.000 0.227 659 D C 1.174 177.458 176.300 -0.027 0.000 1.211 659 D CA 1.290 55.404 54.000 0.191 0.000 0.663 659 D CB -0.970 39.924 40.800 0.157 0.000 0.983 659 D HN 1.190 nan 8.370 nan 0.000 0.407 660 G N -0.313 108.421 108.800 -0.108 0.000 2.284 660 G HA2 -0.378 3.598 3.960 0.026 0.000 0.247 660 G HA3 -0.378 3.598 3.960 0.026 0.000 0.247 660 G C 0.345 175.136 174.900 -0.182 0.000 1.012 660 G CA 0.544 45.483 45.100 -0.269 0.000 0.618 660 G HN 0.484 nan 8.290 nan 0.000 0.521 661 K N 2.021 122.370 120.400 -0.086 0.000 2.310 661 K HA 0.432 4.768 4.320 0.026 0.000 0.290 661 K C -2.513 174.064 176.600 -0.038 0.000 1.077 661 K CA -1.709 54.540 56.287 -0.064 0.000 0.922 661 K CB 1.102 33.584 32.500 -0.030 0.000 1.057 661 K HN 0.090 nan 8.250 nan 0.000 0.479 662 P HA -0.116 nan 4.420 nan 0.000 0.261 662 P C -0.263 177.029 177.300 -0.012 0.000 1.183 662 P CA 0.098 63.172 63.100 -0.045 0.000 0.761 662 P CB 0.576 32.231 31.700 -0.075 0.000 0.785 663 L N 4.277 125.511 121.223 0.019 0.000 2.435 663 L HA 0.607 4.963 4.340 0.026 0.000 0.195 663 L C 0.285 177.181 176.870 0.043 0.000 1.072 663 L CA 1.042 55.907 54.840 0.042 0.000 0.833 663 L CB -0.230 41.876 42.059 0.078 0.000 1.081 663 L HN 0.383 nan 8.230 nan 0.000 0.485 664 A N -1.380 121.473 122.820 0.054 0.000 2.612 664 A HA 0.786 5.121 4.320 0.026 0.000 0.293 664 A C -1.055 176.411 177.584 -0.196 0.000 1.075 664 A CA 0.173 52.225 52.037 0.025 0.000 0.680 664 A CB 1.067 20.195 19.000 0.213 0.000 1.279 664 A HN 0.374 nan 8.150 nan 0.000 0.411 665 S N -0.629 114.724 115.700 -0.579 0.000 2.587 665 S HA 0.937 5.422 4.470 0.026 0.000 0.269 665 S C -0.308 173.473 174.600 -1.366 0.000 1.154 665 S CA -0.033 57.432 58.200 -1.225 0.000 0.824 665 S CB 1.069 63.929 63.200 -0.567 0.000 1.118 665 S HN 2.590 nan 8.310 nan 0.000 0.462 666 G N 0.000 107.724 108.800 -1.794 0.000 2.548 666 G HA2 0.634 4.609 3.960 0.026 0.000 0.301 666 G HA3 0.634 4.609 3.960 0.026 0.000 0.301 666 G C -2.233 172.391 174.900 -0.460 0.000 1.349 666 G CA -0.782 43.848 45.100 -0.784 0.000 0.792 666 G HN 0.778 nan 8.290 nan 0.000 0.481 667 E N -1.334 118.821 120.200 -0.076 0.000 2.312 667 E HA 0.654 5.020 4.350 0.026 0.000 0.267 667 E C -1.420 175.225 176.600 0.075 0.000 0.894 667 E CA -0.880 55.464 56.400 -0.094 0.000 0.773 667 E CB 3.214 32.761 29.700 -0.254 0.000 1.241 667 E HN 0.285 nan 8.360 nan 0.000 0.432 668 V N 2.606 122.555 119.914 0.058 0.000 2.711 668 V HA 0.290 4.426 4.120 0.026 0.000 0.304 668 V C -2.573 173.539 176.094 0.030 0.000 1.097 668 V CA -1.876 60.468 62.300 0.074 0.000 0.906 668 V CB 2.001 33.895 31.823 0.118 0.000 1.015 668 V HN 0.557 nan 8.190 nan 0.000 0.427 669 P HA 0.296 nan 4.420 nan 0.000 0.271 669 P C -0.733 176.584 177.300 0.027 0.000 1.216 669 P CA -0.063 63.048 63.100 0.017 0.000 0.771 669 P CB 0.579 32.291 31.700 0.021 0.000 0.864 670 L N 3.200 124.435 121.223 0.019 0.000 2.289 670 L HA 0.354 4.710 4.340 0.026 0.000 0.285 670 L C 0.363 177.267 176.870 0.055 0.000 1.049 670 L CA 0.099 54.948 54.840 0.016 0.000 0.804 670 L CB 0.894 42.914 42.059 -0.065 0.000 1.195 670 L HN 0.356 nan 8.230 nan 0.000 0.428 671 D N 3.079 123.525 120.400 0.077 0.000 2.552 671 D HA 0.331 4.986 4.640 0.026 0.000 0.285 671 D C -1.271 175.108 176.300 0.131 0.000 1.206 671 D CA -0.195 53.876 54.000 0.119 0.000 0.826 671 D CB 0.894 41.753 40.800 0.099 0.000 1.179 671 D HN 0.055 nan 8.370 nan 0.000 0.508 672 V N 1.382 121.377 119.914 0.135 0.000 2.459 672 V HA 0.837 4.972 4.120 0.026 0.000 0.295 672 V C 0.853 176.896 176.094 -0.085 0.000 1.029 672 V CA -1.147 61.205 62.300 0.086 0.000 0.874 672 V CB 1.252 33.180 31.823 0.174 0.000 0.985 672 V HN 0.534 nan 8.190 nan 0.000 0.438 673 A N 6.892 129.552 122.820 -0.266 0.000 2.332 673 A HA 0.676 5.011 4.320 0.026 0.000 0.258 673 A C -2.197 175.182 177.584 -0.342 0.000 1.087 673 A CA -1.499 50.087 52.037 -0.752 0.000 0.802 673 A CB -0.117 18.640 19.000 -0.405 0.000 1.042 673 A HN 0.696 nan 8.150 nan 0.000 0.489 674 P HA -0.032 nan 4.420 nan 0.000 0.262 674 P C -0.418 176.816 177.300 -0.109 0.000 1.182 674 P CA 0.708 63.732 63.100 -0.127 0.000 0.761 674 P CB 0.502 32.140 31.700 -0.102 0.000 0.795 675 Q N -0.868 118.876 119.800 -0.093 0.000 2.348 675 Q HA -0.188 4.168 4.340 0.026 0.000 0.221 675 Q C 0.859 176.826 176.000 -0.056 0.000 0.735 675 Q CA 1.536 57.288 55.803 -0.085 0.000 1.351 675 Q CB -2.242 26.441 28.738 -0.091 0.000 1.640 675 Q HN 0.782 nan 8.270 nan 0.000 0.667 676 G N 0.388 109.158 108.800 -0.049 0.000 2.525 676 G HA2 0.524 4.500 3.960 0.026 0.000 0.287 676 G HA3 0.524 4.500 3.960 0.026 0.000 0.287 676 G C -0.241 174.662 174.900 0.005 0.000 1.350 676 G CA -0.462 44.623 45.100 -0.025 0.000 1.039 676 G HN -0.001 nan 8.290 nan 0.000 0.513 677 K N -0.892 119.517 120.400 0.016 0.000 2.443 677 K HA 0.491 4.827 4.320 0.026 0.000 0.251 677 K C -1.101 175.522 176.600 0.039 0.000 0.972 677 K CA -0.640 55.665 56.287 0.030 0.000 0.833 677 K CB 2.571 35.083 32.500 0.019 0.000 1.317 677 K HN 0.491 nan 8.250 nan 0.000 0.441 678 Q N 2.364 122.192 119.800 0.046 0.000 2.271 678 Q HA 0.346 4.702 4.340 0.026 0.000 0.268 678 Q C -1.714 174.310 176.000 0.039 0.000 1.021 678 Q CA -0.555 55.276 55.803 0.045 0.000 0.802 678 Q CB 1.477 30.250 28.738 0.057 0.000 1.282 678 Q HN 0.533 nan 8.270 nan 0.000 0.431 679 L N 5.188 126.425 121.223 0.023 0.000 2.275 679 L HA 0.530 4.885 4.340 0.026 0.000 0.288 679 L C -0.403 176.465 176.870 -0.003 0.000 1.046 679 L CA -0.467 54.377 54.840 0.006 0.000 0.805 679 L CB 1.075 43.131 42.059 -0.005 0.000 1.193 679 L HN 0.561 nan 8.230 nan 0.000 0.426 680 I N 2.920 123.478 120.570 -0.019 0.000 2.382 680 I HA 0.198 4.383 4.170 0.026 0.000 0.286 680 I C -0.184 175.871 176.117 -0.103 0.000 1.002 680 I CA -0.633 60.642 61.300 -0.043 0.000 1.135 680 I CB 2.015 40.001 38.000 -0.023 0.000 1.288 680 I HN 0.524 nan 8.210 nan 0.000 0.448 681 E N 7.356 127.494 120.200 -0.103 0.000 2.152 681 E HA 0.318 4.684 4.350 0.026 0.000 0.285 681 E C -1.023 175.450 176.600 -0.212 0.000 1.043 681 E CA -0.230 56.089 56.400 -0.136 0.000 0.839 681 E CB 0.665 30.311 29.700 -0.090 0.000 1.069 681 E HN 0.450 nan 8.360 nan 0.000 0.399 682 L N 7.466 128.505 121.223 -0.306 0.000 2.380 682 L HA 0.332 4.687 4.340 0.026 0.000 0.273 682 L C -1.612 175.066 176.870 -0.320 0.000 1.138 682 L CA -1.855 52.691 54.840 -0.490 0.000 0.832 682 L CB 0.584 42.287 42.059 -0.594 0.000 1.124 682 L HN 0.564 nan 8.230 nan 0.000 0.454 683 P HA -0.024 nan 4.420 nan 0.000 0.272 683 P C -0.574 176.672 177.300 -0.091 0.000 1.240 683 P CA -0.481 62.554 63.100 -0.108 0.000 0.791 683 P CB 0.558 32.261 31.700 0.005 0.000 0.978 684 E N 0.911 121.087 120.200 -0.039 0.000 2.480 684 E HA 0.038 4.403 4.350 0.026 0.000 0.258 684 E C -0.631 175.973 176.600 0.006 0.000 0.984 684 E CA -0.030 56.356 56.400 -0.025 0.000 0.930 684 E CB -0.053 29.641 29.700 -0.009 0.000 0.936 684 E HN 0.306 nan 8.360 nan 0.000 0.466 685 L N 7.266 128.491 121.223 0.003 0.000 2.295 685 L HA 0.410 4.766 4.340 0.026 0.000 0.285 685 L C -1.750 175.144 176.870 0.040 0.000 1.035 685 L CA -2.207 52.659 54.840 0.044 0.000 0.806 685 L CB 1.157 43.241 42.059 0.043 0.000 1.214 685 L HN 0.543 nan 8.230 nan 0.000 0.426 686 P HA 0.086 nan 4.420 nan 0.000 0.271 686 P C -0.913 176.409 177.300 0.038 0.000 1.233 686 P CA -0.349 62.775 63.100 0.041 0.000 0.764 686 P CB 0.728 32.455 31.700 0.044 0.000 0.825 687 Q N 4.165 123.981 119.800 0.027 0.000 2.330 687 Q HA 0.119 4.474 4.340 0.026 0.000 0.279 687 Q C -1.460 174.558 176.000 0.029 0.000 1.024 687 Q CA -1.089 54.728 55.803 0.025 0.000 0.900 687 Q CB -0.121 28.627 28.738 0.016 0.000 1.221 687 Q HN 0.471 nan 8.270 nan 0.000 0.396 688 P HA -0.038 nan 4.420 nan 0.000 0.272 688 P C -0.468 176.849 177.300 0.029 0.000 1.240 688 P CA 0.115 63.237 63.100 0.036 0.000 0.791 688 P CB 1.000 32.726 31.700 0.044 0.000 0.978 689 E N 0.239 120.456 120.200 0.028 0.000 2.035 689 E HA -0.004 4.361 4.350 0.026 0.000 0.191 689 E C 0.893 177.509 176.600 0.026 0.000 0.966 689 E CA 0.438 56.853 56.400 0.024 0.000 0.823 689 E CB -0.453 29.259 29.700 0.021 0.000 0.791 689 E HN 0.603 nan 8.360 nan 0.000 0.459 690 S N 1.023 116.741 115.700 0.029 0.000 2.600 690 S HA 0.445 4.930 4.470 0.026 0.000 0.265 690 S C 0.303 174.926 174.600 0.038 0.000 1.325 690 S CA -0.592 57.627 58.200 0.032 0.000 1.002 690 S CB 1.169 64.388 63.200 0.033 0.000 0.921 690 S HN 0.300 nan 8.310 nan 0.000 0.554 691 A N 0.857 123.701 122.820 0.040 0.000 2.366 691 A HA 0.704 5.039 4.320 0.026 0.000 0.250 691 A C 0.970 178.589 177.584 0.059 0.000 1.099 691 A CA 0.192 52.256 52.037 0.045 0.000 0.794 691 A CB -0.839 18.187 19.000 0.044 0.000 1.056 691 A HN 2.326 nan 8.150 nan 0.000 0.499 692 G N -1.249 107.590 108.800 0.065 0.000 2.361 692 G HA2 0.447 4.423 3.960 0.026 0.000 0.331 692 G HA3 0.447 4.423 3.960 0.026 0.000 0.331 692 G C -1.172 173.783 174.900 0.091 0.000 1.324 692 G CA -0.127 45.030 45.100 0.094 0.000 0.984 692 G HN 1.154 nan 8.290 nan 0.000 0.586 693 Q N -0.147 119.740 119.800 0.144 0.000 2.325 693 Q HA 0.716 5.072 4.340 0.026 0.000 0.262 693 Q C -0.246 175.866 176.000 0.186 0.000 0.968 693 Q CA -0.583 55.281 55.803 0.101 0.000 0.877 693 Q CB 1.213 30.007 28.738 0.092 0.000 1.253 693 Q HN 0.578 nan 8.270 nan 0.000 0.448 694 L N 4.251 125.509 121.223 0.058 0.000 2.349 694 L HA 0.426 4.782 4.340 0.026 0.000 0.275 694 L C -0.727 176.176 176.870 0.056 0.000 1.115 694 L CA -0.346 54.567 54.840 0.121 0.000 0.820 694 L CB 0.616 42.714 42.059 0.065 0.000 1.135 694 L HN 0.662 nan 8.230 nan 0.000 0.445 695 W N 4.152 125.524 121.300 0.120 0.000 2.702 695 W HA 0.501 5.176 4.660 0.026 0.000 0.331 695 W C -0.776 175.854 176.519 0.185 0.000 1.049 695 W CA -0.536 56.902 57.345 0.156 0.000 1.230 695 W CB 1.684 31.264 29.460 0.199 0.000 1.408 695 W HN 0.121 nan 8.180 nan 0.000 0.492 696 L N 3.431 124.920 121.223 0.443 0.000 2.287 696 L HA 0.730 5.085 4.340 0.026 0.000 0.287 696 L C -0.389 176.782 176.870 0.502 0.000 1.022 696 L CA 0.110 55.206 54.840 0.427 0.000 0.814 696 L CB 1.199 43.474 42.059 0.359 0.000 1.217 696 L HN 0.310 nan 8.230 nan 0.000 0.420 697 T N 5.323 120.121 114.554 0.407 0.000 2.809 697 T HA 0.624 4.990 4.350 0.026 0.000 0.284 697 T C -0.702 174.190 174.700 0.321 0.000 0.992 697 T CA -0.437 61.860 62.100 0.328 0.000 0.957 697 T CB 1.359 70.352 68.868 0.210 0.000 0.942 697 T HN 0.584 nan 8.240 nan 0.000 0.439 698 V N 1.951 122.038 119.914 0.289 0.000 2.628 698 V HA 0.825 4.961 4.120 0.026 0.000 0.306 698 V C -0.648 175.540 176.094 0.157 0.000 1.045 698 V CA -1.090 61.352 62.300 0.236 0.000 0.905 698 V CB 1.789 33.719 31.823 0.179 0.000 0.997 698 V HN 0.808 nan 8.190 nan 0.000 0.436 699 R N 2.601 123.231 120.500 0.217 0.000 2.621 699 R HA 0.729 5.085 4.340 0.026 0.000 0.284 699 R C -1.641 174.832 176.300 0.289 0.000 0.998 699 R CA -0.798 55.459 56.100 0.262 0.000 0.895 699 R CB 2.726 33.150 30.300 0.206 0.000 1.195 699 R HN 0.680 nan 8.270 nan 0.000 0.450 700 V N 3.580 123.688 119.914 0.324 0.000 2.383 700 V HA 0.325 4.461 4.120 0.026 0.000 0.275 700 V C -0.123 176.134 176.094 0.273 0.000 1.036 700 V CA -0.550 61.912 62.300 0.271 0.000 0.889 700 V CB 1.541 33.521 31.823 0.260 0.000 0.985 700 V HN 0.429 nan 8.190 nan 0.000 0.459 701 V N 5.351 125.413 119.914 0.247 0.000 2.555 701 V HA 0.402 4.537 4.120 0.026 0.000 0.302 701 V C -0.254 175.958 176.094 0.196 0.000 1.038 701 V CA -0.764 61.677 62.300 0.235 0.000 0.887 701 V CB 1.996 33.999 31.823 0.300 0.000 0.991 701 V HN 0.909 nan 8.190 nan 0.000 0.434 702 Q N 5.325 125.246 119.800 0.201 0.000 2.360 702 Q HA 0.273 4.628 4.340 0.026 0.000 0.254 702 Q C -1.948 174.110 176.000 0.098 0.000 0.975 702 Q CA -1.727 54.167 55.803 0.152 0.000 0.912 702 Q CB 1.768 30.602 28.738 0.159 0.000 1.212 702 Q HN 0.448 nan 8.270 nan 0.000 0.452 703 P HA -0.182 nan 4.420 nan 0.000 0.217 703 P C -0.549 176.765 177.300 0.023 0.000 1.150 703 P CA 1.188 64.320 63.100 0.053 0.000 0.832 703 P CB 0.359 32.084 31.700 0.043 0.000 0.787 704 N N -0.632 118.071 118.700 0.005 0.000 2.473 704 N HA 0.442 5.197 4.740 0.026 0.000 0.291 704 N C -0.350 175.117 175.510 -0.072 0.000 1.083 704 N CA -0.742 52.293 53.050 -0.025 0.000 0.951 704 N CB 0.950 39.424 38.487 -0.022 0.000 1.164 704 N HN -0.059 nan 8.380 nan 0.000 0.480 705 A N 0.864 123.634 122.820 -0.083 0.000 2.366 705 A HA 0.492 4.828 4.320 0.026 0.000 0.249 705 A C 0.561 178.031 177.584 -0.191 0.000 1.084 705 A CA -0.056 51.896 52.037 -0.142 0.000 0.794 705 A CB 0.152 19.095 19.000 -0.095 0.000 1.034 705 A HN 0.716 nan 8.150 nan 0.000 0.491 706 T N -3.363 111.001 114.554 -0.316 0.000 2.669 706 T HA 0.626 4.991 4.350 0.026 0.000 0.283 706 T C 0.940 175.497 174.700 -0.238 0.000 1.019 706 T CA 0.082 61.987 62.100 -0.326 0.000 1.039 706 T CB 1.000 69.484 68.868 -0.641 0.000 1.374 706 T HN 1.360 nan 8.240 nan 0.000 0.523 707 A N -0.112 122.655 122.820 -0.088 0.000 2.067 707 A HA 0.119 4.454 4.320 0.026 0.000 0.219 707 A C 1.660 179.407 177.584 0.272 0.000 1.158 707 A CA 1.117 53.219 52.037 0.110 0.000 0.661 707 A CB -0.865 18.222 19.000 0.146 0.000 0.801 707 A HN 0.911 nan 8.150 nan 0.000 0.452 708 W N -0.654 120.719 121.300 0.122 0.000 2.870 708 W HA 0.416 5.092 4.660 0.028 0.000 0.358 708 W C -0.187 176.306 176.519 -0.043 0.000 1.043 708 W CA 0.506 57.881 57.345 0.050 0.000 1.692 708 W CB -0.996 28.477 29.460 0.022 0.000 1.100 708 W HN 0.406 nan 8.180 nan 0.000 0.557 709 S N 0.147 115.425 115.700 -0.704 0.000 2.579 709 S HA 0.463 4.949 4.470 0.026 0.000 0.272 709 S C -0.925 173.454 174.600 -0.368 0.000 1.141 709 S CA -0.763 57.048 58.200 -0.648 0.000 0.843 709 S CB 2.634 65.017 63.200 -1.363 0.000 1.122 709 S HN 0.125 nan 8.310 nan 0.000 0.468 710 E N 0.671 120.771 120.200 -0.167 0.000 2.318 710 E HA 0.587 4.952 4.350 0.026 0.000 0.265 710 E C 0.148 176.722 176.600 -0.043 0.000 1.069 710 E CA -0.915 55.444 56.400 -0.069 0.000 0.893 710 E CB 1.045 30.749 29.700 0.007 0.000 1.076 710 E HN 0.864 nan 8.360 nan 0.000 0.414 711 A N 0.825 123.628 122.820 -0.028 0.000 2.511 711 A HA 0.396 4.731 4.320 0.026 0.000 0.242 711 A C 1.161 178.766 177.584 0.036 0.000 1.069 711 A CA 0.693 52.728 52.037 -0.004 0.000 0.763 711 A CB -0.505 18.494 19.000 -0.003 0.000 1.001 711 A HN 0.828 nan 8.150 nan 0.000 0.498 712 G N 0.438 109.274 108.800 0.062 0.000 2.176 712 G HA2 -0.243 3.733 3.960 0.026 0.000 0.253 712 G HA3 -0.243 3.733 3.960 0.026 0.000 0.253 712 G C 0.339 175.299 174.900 0.100 0.000 0.979 712 G CA 0.428 45.572 45.100 0.075 0.000 0.641 712 G HN 1.487 nan 8.290 nan 0.000 0.530 713 H N 0.477 119.566 119.070 0.031 0.000 3.034 713 H HA 0.290 4.862 4.556 0.026 0.000 0.324 713 H C -0.057 175.358 175.328 0.146 0.000 1.015 713 H CA 0.361 56.451 56.048 0.070 0.000 1.429 713 H CB 0.291 30.068 29.762 0.024 0.000 1.429 713 H HN 0.136 nan 8.280 nan 0.000 0.585 714 I N 4.662 125.019 120.570 -0.354 0.000 2.325 714 I HA -0.064 4.121 4.170 0.026 0.000 0.291 714 I C 1.402 177.471 176.117 -0.081 0.000 1.019 714 I CA 0.231 61.479 61.300 -0.086 0.000 1.302 714 I CB 1.695 39.689 38.000 -0.011 0.000 1.401 714 I HN 0.615 nan 8.210 nan 0.000 0.485 715 S N 3.975 119.852 115.700 0.295 0.000 2.512 715 S HA 0.713 5.199 4.470 0.026 0.000 0.216 715 S C 0.484 175.374 174.600 0.483 0.000 1.006 715 S CA 0.225 58.724 58.200 0.497 0.000 0.915 715 S CB 0.363 63.962 63.200 0.665 0.000 0.824 715 S HN 0.745 nan 8.310 nan 0.000 0.497 716 A N 0.498 123.623 122.820 0.508 0.000 2.599 716 A HA 0.642 4.977 4.320 0.026 0.000 0.294 716 A C -1.734 176.176 177.584 0.543 0.000 1.055 716 A CA -0.856 51.439 52.037 0.430 0.000 0.683 716 A CB 0.337 19.668 19.000 0.551 0.000 1.278 716 A HN 0.933 nan 8.150 nan 0.000 0.412 717 W N 0.074 121.539 121.300 0.276 0.000 3.025 717 W HA 0.833 5.509 4.660 0.027 0.000 0.343 717 W C -1.161 175.369 176.519 0.017 0.000 1.246 717 W CA -0.645 56.743 57.345 0.071 0.000 1.178 717 W CB 1.181 30.665 29.460 0.039 0.000 1.463 717 W HN 1.046 nan 8.180 nan 0.000 0.578 718 Q N 0.908 120.733 119.800 0.040 0.000 2.594 718 Q HA 0.408 4.764 4.340 0.026 0.000 0.278 718 Q C -1.650 174.190 176.000 -0.267 0.000 0.961 718 Q CA -0.446 55.218 55.803 -0.231 0.000 0.844 718 Q CB 2.264 30.632 28.738 -0.615 0.000 1.475 718 Q HN 0.628 nan 8.270 nan 0.000 0.389 719 Q N 1.273 120.853 119.800 -0.366 0.000 2.451 719 Q HA 0.668 5.024 4.340 0.026 0.000 0.281 719 Q C -1.199 174.660 176.000 -0.235 0.000 1.099 719 Q CA -0.725 55.056 55.803 -0.036 0.000 0.806 719 Q CB 2.434 31.360 28.738 0.313 0.000 1.419 719 Q HN 0.596 nan 8.270 nan 0.000 0.427 720 W N 0.834 122.259 121.300 0.210 0.000 3.217 720 W HA 0.424 5.099 4.660 0.026 0.000 0.323 720 W C -0.526 175.867 176.519 -0.210 0.000 1.216 720 W CA -0.630 56.726 57.345 0.019 0.000 1.194 720 W CB 1.760 31.225 29.460 0.008 0.000 1.397 720 W HN 0.425 nan 8.180 nan 0.000 0.537 721 R N 1.931 122.278 120.500 -0.256 0.000 2.308 721 R HA 0.504 4.859 4.340 0.026 0.000 0.305 721 R C 0.466 176.606 176.300 -0.266 0.000 1.053 721 R CA -0.240 55.458 56.100 -0.669 0.000 0.957 721 R CB 1.373 31.224 30.300 -0.748 0.000 1.022 721 R HN 0.310 nan 8.270 nan 0.000 0.461 722 L N 1.270 122.353 121.223 -0.233 0.000 2.719 722 L HA 0.521 4.876 4.340 0.026 0.000 0.182 722 L C 0.625 177.423 176.870 -0.120 0.000 1.940 722 L CA -0.900 53.871 54.840 -0.114 0.000 2.839 722 L CB -0.128 41.903 42.059 -0.047 0.000 2.949 722 L HN 0.586 nan 8.230 nan 0.000 0.669 723 A N 0.382 123.159 122.820 -0.072 0.000 2.425 723 A HA 0.251 4.587 4.320 0.026 0.000 0.242 723 A C -0.343 177.207 177.584 -0.058 0.000 1.077 723 A CA 0.166 52.169 52.037 -0.056 0.000 0.781 723 A CB 0.223 19.206 19.000 -0.029 0.000 1.020 723 A HN 0.593 nan 8.150 nan 0.000 0.494 724 E N 1.292 121.464 120.200 -0.048 0.000 2.234 724 E HA 0.315 4.680 4.350 0.026 0.000 0.266 724 E C -1.449 175.148 176.600 -0.006 0.000 0.877 724 E CA -0.734 55.648 56.400 -0.031 0.000 0.758 724 E CB 0.946 30.617 29.700 -0.049 0.000 1.170 724 E HN 0.676 nan 8.360 nan 0.000 0.415 725 N N 5.312 124.020 118.700 0.013 0.000 2.558 725 N HA 0.258 5.014 4.740 0.026 0.000 0.242 725 N C -0.559 174.967 175.510 0.026 0.000 0.979 725 N CA -0.348 52.713 53.050 0.018 0.000 0.931 725 N CB 1.171 39.672 38.487 0.024 0.000 1.122 725 N HN 0.497 nan 8.380 nan 0.000 0.508 726 L N 0.998 122.234 121.223 0.022 0.000 2.453 726 L HA 0.073 4.429 4.340 0.026 0.000 0.272 726 L C 1.304 178.193 176.870 0.032 0.000 1.182 726 L CA 0.057 54.914 54.840 0.029 0.000 0.858 726 L CB 0.484 42.558 42.059 0.025 0.000 1.120 726 L HN 0.387 nan 8.230 nan 0.000 0.474 727 S N 2.417 118.141 115.700 0.039 0.000 2.481 727 S HA 0.226 4.711 4.470 0.026 0.000 0.276 727 S C 0.639 175.259 174.600 0.035 0.000 1.247 727 S CA -0.748 57.475 58.200 0.038 0.000 1.053 727 S CB 0.809 64.037 63.200 0.046 0.000 0.925 727 S HN 0.479 nan 8.310 nan 0.000 0.491 728 V N 2.314 122.246 119.914 0.030 0.000 3.477 728 V HA 0.328 4.464 4.120 0.026 0.000 0.297 728 V C 0.754 176.864 176.094 0.027 0.000 1.433 728 V CA 0.288 62.604 62.300 0.027 0.000 1.052 728 V CB -0.689 31.147 31.823 0.023 0.000 0.895 728 V HN 0.882 nan 8.190 nan 0.000 0.438 729 T N 2.466 117.036 114.554 0.028 0.000 2.779 729 T HA 0.562 4.928 4.350 0.026 0.000 0.296 729 T C 0.076 174.794 174.700 0.029 0.000 0.938 729 T CA -0.407 61.709 62.100 0.027 0.000 1.119 729 T CB 0.733 69.617 68.868 0.027 0.000 0.891 729 T HN 0.696 nan 8.240 nan 0.000 0.526 730 L N 2.816 124.056 121.223 0.028 0.000 2.416 730 L HA 0.526 4.882 4.340 0.026 0.000 0.272 730 L C -1.750 175.139 176.870 0.031 0.000 1.161 730 L CA -1.811 53.047 54.840 0.029 0.000 0.845 730 L CB -0.554 41.521 42.059 0.027 0.000 1.119 730 L HN 0.429 nan 8.230 nan 0.000 0.464 731 P HA 0.148 nan 4.420 nan 0.000 0.271 731 P C -0.383 176.939 177.300 0.036 0.000 1.216 731 P CA -0.322 62.798 63.100 0.034 0.000 0.776 731 P CB 1.067 32.788 31.700 0.036 0.000 0.881 732 A N 3.210 126.052 122.820 0.037 0.000 2.537 732 A HA 0.380 4.716 4.320 0.026 0.000 0.260 732 A C 0.999 178.617 177.584 0.057 0.000 1.082 732 A CA 0.012 52.077 52.037 0.047 0.000 0.765 732 A CB -0.840 18.189 19.000 0.048 0.000 1.019 732 A HN 0.757 nan 8.150 nan 0.000 0.507 733 A N 3.949 126.808 122.820 0.065 0.000 2.584 733 A HA 0.406 4.741 4.320 0.026 0.000 0.239 733 A C 1.104 178.760 177.584 0.120 0.000 1.043 733 A CA 0.593 52.676 52.037 0.077 0.000 0.756 733 A CB -0.384 18.657 19.000 0.069 0.000 0.963 733 A HN 1.951 nan 8.150 nan 0.000 0.511 734 S N 2.048 117.804 115.700 0.093 0.000 2.592 734 S HA 0.255 4.741 4.470 0.026 0.000 0.271 734 S C 0.730 175.452 174.600 0.203 0.000 1.326 734 S CA 0.107 58.358 58.200 0.086 0.000 1.024 734 S CB 0.247 63.468 63.200 0.035 0.000 0.921 734 S HN 0.733 nan 8.310 nan 0.000 0.527 735 H N 1.563 120.647 119.070 0.024 0.000 2.343 735 H HA 0.184 4.756 4.556 0.026 0.000 0.303 735 H C 1.359 176.703 175.328 0.025 0.000 1.068 735 H CA 0.366 56.427 56.048 0.022 0.000 1.359 735 H CB -0.166 29.608 29.762 0.019 0.000 1.402 735 H HN 0.813 nan 8.280 nan 0.000 0.515 736 A N 1.405 124.317 122.820 0.152 0.000 2.445 736 A HA 0.332 4.668 4.320 0.026 0.000 0.242 736 A C -0.422 177.212 177.584 0.084 0.000 1.075 736 A CA 0.011 52.108 52.037 0.101 0.000 0.777 736 A CB -0.024 19.025 19.000 0.081 0.000 1.013 736 A HN 0.184 nan 8.150 nan 0.000 0.493 737 I N 2.587 123.204 120.570 0.078 0.000 2.436 737 I HA 0.379 4.564 4.170 0.026 0.000 0.289 737 I C -2.257 173.912 176.117 0.087 0.000 1.010 737 I CA -1.770 59.570 61.300 0.068 0.000 1.098 737 I CB 1.843 39.879 38.000 0.059 0.000 1.266 737 I HN 0.384 nan 8.210 nan 0.000 0.434 738 P HA 0.138 nan 4.420 nan 0.000 0.268 738 P C -1.110 176.266 177.300 0.126 0.000 1.205 738 P CA 0.019 63.177 63.100 0.097 0.000 0.771 738 P CB 0.321 32.031 31.700 0.017 0.000 0.858 739 H N 2.273 121.384 119.070 0.069 0.000 2.472 739 H HA 0.556 5.128 4.556 0.026 0.000 0.338 739 H C -1.291 174.079 175.328 0.070 0.000 1.133 739 H CA -0.874 55.208 56.048 0.058 0.000 1.216 739 H CB 0.745 30.544 29.762 0.060 0.000 1.497 739 H HN 0.166 nan 8.280 nan 0.000 0.500 740 L N 4.623 125.411 121.223 -0.725 0.000 2.276 740 L HA 0.397 4.753 4.340 0.026 0.000 0.286 740 L C -0.795 175.731 176.870 -0.573 0.000 1.024 740 L CA -0.024 54.532 54.840 -0.473 0.000 0.826 740 L CB 1.040 42.940 42.059 -0.264 0.000 1.211 740 L HN 0.741 nan 8.230 nan 0.000 0.422 741 T N 3.673 118.097 114.554 -0.216 0.000 2.743 741 T HA 0.416 4.781 4.350 0.026 0.000 0.292 741 T C -0.049 174.709 174.700 0.097 0.000 0.972 741 T CA -0.192 61.903 62.100 -0.008 0.000 0.967 741 T CB 0.549 69.480 68.868 0.106 0.000 0.926 741 T HN 0.650 nan 8.240 nan 0.000 0.459 742 T N 3.489 118.108 114.554 0.108 0.000 2.794 742 T HA 0.621 4.987 4.350 0.026 0.000 0.280 742 T C 0.176 174.906 174.700 0.049 0.000 0.987 742 T CA -0.714 61.476 62.100 0.151 0.000 0.993 742 T CB 1.008 70.005 68.868 0.216 0.000 0.939 742 T HN 0.688 nan 8.240 nan 0.000 0.449 743 S N 1.842 117.525 115.700 -0.028 0.000 2.704 743 S HA 0.553 5.039 4.470 0.026 0.000 0.296 743 S C 0.850 175.373 174.600 -0.129 0.000 1.138 743 S CA -0.788 57.381 58.200 -0.051 0.000 0.875 743 S CB 1.819 65.002 63.200 -0.028 0.000 1.151 743 S HN 0.458 nan 8.310 nan 0.000 0.500 744 E N 0.101 120.244 120.200 -0.095 0.000 2.110 744 E HA 0.015 4.381 4.350 0.026 0.000 0.193 744 E C 1.412 177.921 176.600 -0.153 0.000 0.988 744 E CA 1.676 58.008 56.400 -0.114 0.000 0.804 744 E CB -0.189 29.472 29.700 -0.065 0.000 0.745 744 E HN 0.628 nan 8.360 nan 0.000 0.458 745 M N 0.221 119.750 119.600 -0.118 0.000 2.465 745 M HA 0.212 4.707 4.480 0.026 0.000 0.249 745 M C -0.515 175.711 176.300 -0.124 0.000 1.130 745 M CA 0.510 55.749 55.300 -0.103 0.000 1.067 745 M CB -0.210 32.364 32.600 -0.043 0.000 1.394 745 M HN -0.122 nan 8.290 nan 0.000 0.483 746 D N -1.357 118.948 120.400 -0.159 0.000 2.602 746 D HA 0.452 5.108 4.640 0.026 0.000 0.236 746 D C -1.420 174.796 176.300 -0.141 0.000 1.209 746 D CA -0.343 53.593 54.000 -0.105 0.000 0.831 746 D CB 1.849 42.674 40.800 0.043 0.000 1.478 746 D HN -0.222 nan 8.370 nan 0.000 0.438 747 F N 1.160 121.179 119.950 0.115 0.000 2.375 747 F HA 0.442 4.985 4.527 0.026 0.000 0.361 747 F C -0.428 175.480 175.800 0.180 0.000 1.117 747 F CA -1.052 57.001 58.000 0.087 0.000 1.037 747 F CB 1.020 40.030 39.000 0.018 0.000 1.192 747 F HN 0.279 nan 8.300 nan 0.000 0.452 748 C N 5.291 124.787 119.300 0.326 0.000 2.382 748 C HA 0.697 5.173 4.460 0.026 0.000 0.327 748 C C 0.143 175.282 174.990 0.249 0.000 1.250 748 C CA -1.037 58.161 59.018 0.301 0.000 1.707 748 C CB 0.735 28.606 27.740 0.218 0.000 2.272 748 C HN 0.593 nan 8.230 nan 0.000 0.506 749 I N 2.868 123.645 120.570 0.347 0.000 2.406 749 I HA 0.408 4.593 4.170 0.026 0.000 0.290 749 I C -0.538 175.842 176.117 0.437 0.000 0.999 749 I CA -0.221 61.266 61.300 0.312 0.000 1.124 749 I CB 1.597 39.763 38.000 0.277 0.000 1.289 749 I HN 0.602 nan 8.210 nan 0.000 0.441 750 E N 5.785 126.181 120.200 0.327 0.000 2.212 750 E HA 0.713 5.079 4.350 0.026 0.000 0.268 750 E C -1.249 175.540 176.600 0.314 0.000 0.902 750 E CA -0.664 55.922 56.400 0.311 0.000 0.779 750 E CB 2.681 32.519 29.700 0.229 0.000 1.172 750 E HN 0.347 nan 8.360 nan 0.000 0.409 751 L N 2.433 123.835 121.223 0.299 0.000 2.666 751 L HA 0.528 4.884 4.340 0.026 0.000 0.258 751 L C 0.297 177.262 176.870 0.160 0.000 0.991 751 L CA 0.723 55.714 54.840 0.252 0.000 0.916 751 L CB 0.760 43.035 42.059 0.359 0.000 1.199 751 L HN 0.634 nan 8.230 nan 0.000 0.439 752 G N 4.126 112.986 108.800 0.100 0.000 2.596 752 G HA2 -0.410 3.565 3.960 0.026 0.000 0.304 752 G HA3 -0.410 3.565 3.960 0.026 0.000 0.304 752 G C 0.460 175.375 174.900 0.025 0.000 1.189 752 G CA 0.552 45.684 45.100 0.054 0.000 0.986 752 G HN 1.254 nan 8.290 nan 0.000 0.548 753 N N 1.674 120.377 118.700 0.005 0.000 2.378 753 N HA 0.205 4.961 4.740 0.026 0.000 0.243 753 N C 0.022 175.497 175.510 -0.059 0.000 1.137 753 N CA 0.505 53.539 53.050 -0.025 0.000 0.862 753 N CB 0.319 38.789 38.487 -0.028 0.000 1.116 753 N HN 0.749 nan 8.380 nan 0.000 0.499 754 K N 0.270 120.627 120.400 -0.073 0.000 2.464 754 K HA 0.452 4.788 4.320 0.026 0.000 0.253 754 K C -1.027 175.407 176.600 -0.276 0.000 0.933 754 K CA -0.682 55.451 56.287 -0.255 0.000 0.801 754 K CB 2.915 35.203 32.500 -0.353 0.000 1.271 754 K HN 0.024 nan 8.250 nan 0.000 0.430 755 R N 2.114 122.356 120.500 -0.430 0.000 2.651 755 R HA 0.394 4.750 4.340 0.026 0.000 0.278 755 R C -1.579 174.542 176.300 -0.299 0.000 1.010 755 R CA -0.621 55.399 56.100 -0.133 0.000 0.896 755 R CB 1.425 31.791 30.300 0.111 0.000 1.211 755 R HN 0.609 nan 8.270 nan 0.000 0.456 756 W N 3.518 124.900 121.300 0.136 0.000 2.600 756 W HA 0.316 4.992 4.660 0.026 0.000 0.325 756 W C -0.576 176.009 176.519 0.110 0.000 1.034 756 W CA -0.609 56.761 57.345 0.041 0.000 1.226 756 W CB 2.080 31.601 29.460 0.102 0.000 1.379 756 W HN 0.445 nan 8.180 nan 0.000 0.466 757 Q N 3.079 122.954 119.800 0.124 0.000 2.341 757 Q HA 0.375 4.730 4.340 0.026 0.000 0.268 757 Q C -1.710 174.258 176.000 -0.054 0.000 1.013 757 Q CA -0.491 55.407 55.803 0.159 0.000 0.798 757 Q CB 1.054 29.919 28.738 0.212 0.000 1.253 757 Q HN 0.316 nan 8.270 nan 0.000 0.457 758 F N 2.933 122.956 119.950 0.121 0.000 2.388 758 F HA 0.283 4.825 4.527 0.026 0.000 0.358 758 F C 0.632 176.477 175.800 0.074 0.000 1.122 758 F CA -0.885 57.162 58.000 0.078 0.000 1.056 758 F CB 1.094 40.137 39.000 0.072 0.000 1.155 758 F HN 0.471 nan 8.300 nan 0.000 0.461 759 N N 3.712 122.520 118.700 0.180 0.000 2.452 759 N HA 0.059 4.814 4.740 0.026 0.000 0.266 759 N C 0.954 176.511 175.510 0.078 0.000 1.175 759 N CA 0.118 53.233 53.050 0.108 0.000 0.945 759 N CB 0.684 39.237 38.487 0.109 0.000 1.063 759 N HN 0.672 nan 8.380 nan 0.000 0.472 760 R N 2.348 122.834 120.500 -0.024 0.000 2.280 760 R HA -0.081 4.275 4.340 0.026 0.000 0.207 760 R C 1.565 177.829 176.300 -0.060 0.000 1.043 760 R CA 0.678 56.721 56.100 -0.094 0.000 1.006 760 R CB 0.201 30.328 30.300 -0.288 0.000 0.885 760 R HN 0.688 nan 8.270 nan 0.000 0.467 761 Q N 0.414 120.199 119.800 -0.026 0.000 2.204 761 Q HA -0.069 4.287 4.340 0.026 0.000 0.198 761 Q C 1.892 177.893 176.000 0.003 0.000 0.946 761 Q CA 1.482 57.276 55.803 -0.015 0.000 0.859 761 Q CB 0.309 29.050 28.738 0.005 0.000 0.946 761 Q HN 0.296 nan 8.270 nan 0.000 0.474 762 S N -1.741 113.987 115.700 0.047 0.000 2.441 762 S HA 0.196 4.682 4.470 0.026 0.000 0.224 762 S C 1.434 175.988 174.600 -0.077 0.000 1.043 762 S CA 0.709 58.966 58.200 0.095 0.000 0.948 762 S CB 0.440 63.810 63.200 0.284 0.000 0.810 762 S HN 0.618 nan 8.310 nan 0.000 0.504 763 G N 0.441 109.205 108.800 -0.059 0.000 2.141 763 G HA2 -0.170 3.806 3.960 0.026 0.000 0.242 763 G HA3 -0.170 3.806 3.960 0.026 0.000 0.242 763 G C -0.186 174.639 174.900 -0.125 0.000 0.982 763 G CA 0.204 45.245 45.100 -0.097 0.000 0.662 763 G HN 0.469 nan 8.290 nan 0.000 0.527 764 F N -1.155 118.963 119.950 0.279 0.000 2.575 764 F HA 0.749 5.291 4.527 0.026 0.000 0.330 764 F C 0.352 176.150 175.800 -0.004 0.000 1.056 764 F CA -1.739 56.367 58.000 0.177 0.000 0.964 764 F CB 1.251 40.319 39.000 0.114 0.000 1.258 764 F HN 0.010 nan 8.300 nan 0.000 0.484 765 L N 1.663 122.886 121.223 0.001 0.000 2.407 765 L HA 0.257 4.613 4.340 0.026 0.000 0.282 765 L C 0.943 177.687 176.870 -0.209 0.000 1.110 765 L CA 0.350 54.871 54.840 -0.532 0.000 0.863 765 L CB 0.206 41.880 42.059 -0.640 0.000 1.207 765 L HN 0.685 nan 8.230 nan 0.000 0.454 766 S N 2.651 118.243 115.700 -0.179 0.000 2.478 766 S HA 0.214 4.700 4.470 0.026 0.000 0.222 766 S C 0.630 175.098 174.600 -0.219 0.000 1.008 766 S CA 0.026 58.160 58.200 -0.109 0.000 0.928 766 S CB 0.043 63.230 63.200 -0.022 0.000 0.781 766 S HN 0.681 nan 8.310 nan 0.000 0.518 767 Q N -0.393 119.209 119.800 -0.329 0.000 2.578 767 Q HA 0.653 5.009 4.340 0.026 0.000 0.284 767 Q C -2.089 173.537 176.000 -0.623 0.000 0.960 767 Q CA -0.315 55.158 55.803 -0.551 0.000 0.809 767 Q CB 1.589 29.871 28.738 -0.759 0.000 1.462 767 Q HN 0.400 nan 8.270 nan 0.000 0.392 768 M N 1.542 120.660 119.600 -0.803 0.000 2.378 768 M HA 0.535 5.031 4.480 0.026 0.000 0.289 768 M C -1.541 174.319 176.300 -0.733 0.000 1.136 768 M CA -0.467 54.413 55.300 -0.700 0.000 0.917 768 M CB 2.104 34.294 32.600 -0.683 0.000 1.669 768 M HN 0.483 nan 8.290 nan 0.000 0.461 769 W N 3.632 124.691 121.300 -0.401 0.000 2.736 769 W HA 0.566 5.242 4.660 0.026 0.000 0.335 769 W C -0.906 175.412 176.519 -0.334 0.000 1.059 769 W CA -0.580 56.591 57.345 -0.290 0.000 1.226 769 W CB 1.653 30.986 29.460 -0.211 0.000 1.416 769 W HN 0.542 nan 8.180 nan 0.000 0.505 770 I N 3.799 124.360 120.570 -0.015 0.000 2.859 770 I HA 0.329 4.514 4.170 0.026 0.000 0.296 770 I C 0.784 176.889 176.117 -0.020 0.000 1.300 770 I CA 0.145 61.395 61.300 -0.083 0.000 1.020 770 I CB 0.196 38.125 38.000 -0.119 0.000 1.823 770 I HN 0.710 nan 8.210 nan 0.000 0.599 771 G N 4.233 113.033 108.800 -0.000 0.000 3.035 771 G HA2 -0.285 3.691 3.960 0.026 0.000 0.242 771 G HA3 -0.285 3.691 3.960 0.026 0.000 0.242 771 G C 0.174 175.072 174.900 -0.003 0.000 1.524 771 G CA 0.378 45.470 45.100 -0.014 0.000 1.038 771 G HN 0.582 nan 8.290 nan 0.000 0.561 772 D N 0.471 120.884 120.400 0.022 0.000 2.433 772 D HA 0.425 5.080 4.640 0.026 0.000 0.211 772 D C 0.801 177.220 176.300 0.198 0.000 1.114 772 D CA 0.569 54.584 54.000 0.025 0.000 0.837 772 D CB 0.518 41.305 40.800 -0.022 0.000 0.984 772 D HN 0.469 nan 8.370 nan 0.000 0.505 773 K N 1.806 122.320 120.400 0.190 0.000 2.234 773 K HA 0.229 4.565 4.320 0.026 0.000 0.282 773 K C -0.393 176.276 176.600 0.114 0.000 1.039 773 K CA -0.546 55.822 56.287 0.136 0.000 0.928 773 K CB 0.728 33.242 32.500 0.023 0.000 1.039 773 K HN -0.084 nan 8.250 nan 0.000 0.470 774 K N 3.240 123.625 120.400 -0.025 0.000 2.202 774 K HA 0.102 4.438 4.320 0.026 0.000 0.264 774 K C 0.472 176.901 176.600 -0.284 0.000 1.010 774 K CA -0.603 55.447 56.287 -0.395 0.000 0.940 774 K CB 0.807 33.134 32.500 -0.288 0.000 0.983 774 K HN 0.529 nan 8.250 nan 0.000 0.475 775 Q N 0.714 120.294 119.800 -0.366 0.000 2.353 775 Q HA 0.216 4.571 4.340 0.026 0.000 0.240 775 Q C 0.223 176.147 176.000 -0.127 0.000 0.868 775 Q CA 0.477 56.189 55.803 -0.151 0.000 0.944 775 Q CB 0.573 29.256 28.738 -0.091 0.000 1.104 775 Q HN 0.517 nan 8.270 nan 0.000 0.531 776 L N 0.581 121.653 121.223 -0.251 0.000 2.342 776 L HA 0.418 4.773 4.340 0.026 0.000 0.271 776 L C 0.939 177.676 176.870 -0.220 0.000 1.008 776 L CA -0.386 54.327 54.840 -0.213 0.000 0.818 776 L CB 1.626 43.545 42.059 -0.233 0.000 1.296 776 L HN -0.074 nan 8.230 nan 0.000 0.427 777 L N 0.169 121.258 121.223 -0.223 0.000 2.642 777 L HA 0.254 4.609 4.340 0.026 0.000 0.233 777 L C -0.008 176.746 176.870 -0.193 0.000 1.077 777 L CA 0.596 55.312 54.840 -0.207 0.000 0.879 777 L CB 0.885 42.798 42.059 -0.243 0.000 1.151 777 L HN 0.634 nan 8.230 nan 0.000 0.495 778 T N 0.051 114.466 114.554 -0.232 0.000 2.912 778 T HA 0.396 4.761 4.350 0.026 0.000 0.299 778 T C -2.572 172.054 174.700 -0.124 0.000 1.052 778 T CA -1.110 60.897 62.100 -0.155 0.000 0.996 778 T CB 2.567 71.324 68.868 -0.185 0.000 1.070 778 T HN -0.272 nan 8.240 nan 0.000 0.465 779 P HA 0.162 nan 4.420 nan 0.000 0.269 779 P C -0.743 176.515 177.300 -0.070 0.000 1.217 779 P CA -0.702 62.361 63.100 -0.063 0.000 0.783 779 P CB 0.428 32.122 31.700 -0.011 0.000 0.898 780 L N 3.486 124.698 121.223 -0.019 0.000 2.325 780 L HA 0.284 4.640 4.340 0.026 0.000 0.284 780 L C -0.009 176.817 176.870 -0.074 0.000 1.089 780 L CA 0.527 55.391 54.840 0.041 0.000 0.836 780 L CB -0.623 41.558 42.059 0.204 0.000 1.184 780 L HN 0.289 nan 8.230 nan 0.000 0.444 781 R N 2.747 123.111 120.500 -0.228 0.000 2.837 781 R HA 0.488 4.844 4.340 0.026 0.000 0.271 781 R C -0.978 175.180 176.300 -0.238 0.000 0.993 781 R CA -1.022 54.769 56.100 -0.514 0.000 0.931 781 R CB 1.241 31.078 30.300 -0.771 0.000 1.206 781 R HN 0.527 nan 8.270 nan 0.000 0.474 782 D N 1.151 121.463 120.400 -0.146 0.000 2.382 782 D HA 0.054 4.710 4.640 0.026 0.000 0.240 782 D C -0.468 175.424 176.300 -0.680 0.000 1.146 782 D CA 0.350 54.108 54.000 -0.402 0.000 0.897 782 D CB 0.664 41.157 40.800 -0.512 0.000 1.197 782 D HN 0.203 nan 8.370 nan 0.000 0.432 783 Q N 0.903 120.120 119.800 -0.972 0.000 2.305 783 Q HA 0.331 4.687 4.340 0.026 0.000 0.271 783 Q C -1.263 174.035 176.000 -1.170 0.000 1.046 783 Q CA -0.584 54.716 55.803 -0.839 0.000 0.798 783 Q CB 0.843 29.304 28.738 -0.462 0.000 1.286 783 Q HN 0.495 nan 8.270 nan 0.000 0.435 784 F N 0.497 120.064 119.950 -0.639 0.000 2.729 784 F HA 0.194 4.737 4.527 0.026 0.000 0.315 784 F C 0.510 175.876 175.800 -0.723 0.000 1.102 784 F CA -0.103 57.414 58.000 -0.805 0.000 1.204 784 F CB 1.393 39.612 39.000 -1.302 0.000 1.052 784 F HN 0.394 nan 8.300 nan 0.000 0.551 785 T N -0.824 113.438 114.554 -0.487 0.000 2.916 785 T HA 0.812 5.178 4.350 0.026 0.000 0.292 785 T C -0.550 173.926 174.700 -0.374 0.000 1.064 785 T CA -0.969 60.789 62.100 -0.570 0.000 1.011 785 T CB 2.904 71.398 68.868 -0.623 0.000 1.152 785 T HN 0.257 nan 8.240 nan 0.000 0.510 786 R N -0.082 120.246 120.500 -0.287 0.000 2.740 786 R HA 0.763 5.119 4.340 0.026 0.000 0.273 786 R C -0.864 175.493 176.300 0.094 0.000 0.998 786 R CA -1.222 54.827 56.100 -0.086 0.000 0.900 786 R CB 1.509 31.762 30.300 -0.078 0.000 1.223 786 R HN 0.839 nan 8.270 nan 0.000 0.466 787 A N 3.708 126.569 122.820 0.068 0.000 2.515 787 A HA 0.260 4.595 4.320 0.026 0.000 0.263 787 A C -1.898 175.755 177.584 0.116 0.000 1.096 787 A CA -1.269 50.808 52.037 0.066 0.000 0.769 787 A CB -0.446 18.537 19.000 -0.028 0.000 1.040 787 A HN 0.593 nan 8.150 nan 0.000 0.505 788 P HA 0.007 nan 4.420 nan 0.000 0.260 788 P C -0.235 177.186 177.300 0.201 0.000 1.172 788 P CA 0.643 63.905 63.100 0.271 0.000 0.760 788 P CB 0.292 32.169 31.700 0.295 0.000 0.773 789 L N 2.836 124.151 121.223 0.154 0.000 2.475 789 L HA 0.165 4.520 4.340 0.026 0.000 0.253 789 L C 1.908 178.842 176.870 0.107 0.000 1.198 789 L CA -0.486 54.389 54.840 0.058 0.000 0.814 789 L CB -0.066 41.960 42.059 -0.055 0.000 1.134 789 L HN 0.286 nan 8.230 nan 0.000 0.478 790 D N 0.164 120.593 120.400 0.050 0.000 2.144 790 D HA -0.137 4.518 4.640 0.026 0.000 0.199 790 D C 1.591 177.908 176.300 0.027 0.000 0.984 790 D CA 1.227 55.238 54.000 0.018 0.000 0.834 790 D CB 0.023 40.805 40.800 -0.030 0.000 0.955 790 D HN 0.471 nan 8.370 nan 0.000 0.465 791 N N 1.148 119.855 118.700 0.011 0.000 2.309 791 N HA -0.105 4.650 4.740 0.026 0.000 0.182 791 N C 1.167 176.707 175.510 0.050 0.000 1.018 791 N CA 0.690 53.751 53.050 0.017 0.000 0.876 791 N CB -0.114 38.365 38.487 -0.013 0.000 0.972 791 N HN 0.259 nan 8.380 nan 0.000 0.434 792 D N 0.667 121.111 120.400 0.073 0.000 2.149 792 D HA 0.033 4.689 4.640 0.026 0.000 0.201 792 D C 2.044 178.384 176.300 0.066 0.000 0.972 792 D CA 0.371 54.430 54.000 0.099 0.000 0.835 792 D CB 0.064 40.996 40.800 0.219 0.000 0.966 792 D HN 0.300 nan 8.370 nan 0.000 0.476 793 I N 0.691 121.300 120.570 0.066 0.000 2.353 793 I HA -0.051 4.135 4.170 0.026 0.000 0.248 793 I C 1.060 177.174 176.117 -0.006 0.000 1.119 793 I CA 0.568 61.884 61.300 0.027 0.000 1.417 793 I CB -0.470 37.533 38.000 0.005 0.000 1.078 793 I HN 0.004 nan 8.210 nan 0.000 0.421 794 G N 2.767 111.573 108.800 0.011 0.000 2.296 794 G HA2 -0.118 3.858 3.960 0.026 0.000 0.263 794 G HA3 -0.118 3.858 3.960 0.026 0.000 0.263 794 G C -0.217 174.688 174.900 0.007 0.000 0.887 794 G CA 0.475 45.584 45.100 0.015 0.000 1.318 794 G HN 0.490 nan 8.290 nan 0.000 0.403 795 V N -1.507 118.408 119.914 0.002 0.000 2.817 795 V HA 0.830 4.966 4.120 0.026 0.000 0.303 795 V C 0.491 176.402 176.094 -0.306 0.000 1.151 795 V CA 0.039 62.271 62.300 -0.113 0.000 0.929 795 V CB 1.337 33.075 31.823 -0.141 0.000 1.030 795 V HN 1.195 nan 8.190 nan 0.000 0.427 796 S N 1.188 116.517 115.700 -0.618 0.000 2.540 796 S HA 0.411 4.897 4.470 0.026 0.000 0.218 796 S C 0.196 174.067 174.600 -1.215 0.000 0.977 796 S CA -0.065 57.165 58.200 -1.616 0.000 0.918 796 S CB -0.114 62.170 63.200 -1.527 0.000 0.806 796 S HN 0.871 nan 8.310 nan 0.000 0.496 797 E N 0.175 119.986 120.200 -0.649 0.000 2.274 797 E HA 0.584 4.949 4.350 0.026 0.000 0.269 797 E C 0.299 176.731 176.600 -0.280 0.000 0.891 797 E CA -0.336 55.800 56.400 -0.439 0.000 0.784 797 E CB 1.918 31.384 29.700 -0.389 0.000 1.225 797 E HN 0.177 nan 8.360 nan 0.000 0.412 798 A N 2.231 124.926 122.820 -0.208 0.000 1.940 798 A HA -0.181 4.154 4.320 0.026 0.000 0.219 798 A C 1.923 179.442 177.584 -0.108 0.000 1.176 798 A CA 2.124 54.085 52.037 -0.126 0.000 0.631 798 A CB -0.451 18.509 19.000 -0.068 0.000 0.814 798 A HN 0.601 nan 8.150 nan 0.000 0.446 799 T N 0.031 114.511 114.554 -0.123 0.000 2.821 799 T HA -0.024 4.342 4.350 0.026 0.000 0.267 799 T C 0.952 175.590 174.700 -0.104 0.000 1.046 799 T CA 0.745 62.785 62.100 -0.100 0.000 1.139 799 T CB -0.141 68.664 68.868 -0.105 0.000 0.871 799 T HN 0.484 nan 8.240 nan 0.000 0.454 800 R N 1.216 121.634 120.500 -0.136 0.000 2.267 800 R HA 0.479 4.834 4.340 0.026 0.000 0.319 800 R C -0.213 176.020 176.300 -0.112 0.000 1.067 800 R CA -0.120 55.903 56.100 -0.129 0.000 0.936 800 R CB 0.639 30.841 30.300 -0.163 0.000 1.006 800 R HN 0.322 nan 8.270 nan 0.000 0.452 801 I N 1.018 121.536 120.570 -0.087 0.000 3.062 801 I HA 0.264 4.449 4.170 0.026 0.000 0.318 801 I C -0.066 176.005 176.117 -0.076 0.000 1.026 801 I CA -0.552 60.704 61.300 -0.073 0.000 1.096 801 I CB 1.228 39.195 38.000 -0.056 0.000 1.348 801 I HN 0.503 nan 8.210 nan 0.000 0.543 802 D N 2.050 122.406 120.400 -0.072 0.000 2.548 802 D HA 0.178 4.833 4.640 0.026 0.000 0.214 802 D C -2.212 174.033 176.300 -0.092 0.000 1.345 802 D CA -1.345 52.607 54.000 -0.080 0.000 0.945 802 D CB 1.877 42.628 40.800 -0.081 0.000 1.499 802 D HN 0.089 nan 8.370 nan 0.000 0.579 803 P HA -0.038 nan 4.420 nan 0.000 0.230 803 P C 0.724 177.929 177.300 -0.158 0.000 1.158 803 P CA 0.476 63.512 63.100 -0.107 0.000 0.769 803 P CB 0.495 32.143 31.700 -0.086 0.000 0.807 804 N N 0.328 118.927 118.700 -0.169 0.000 2.446 804 N HA 0.045 4.801 4.740 0.026 0.000 0.179 804 N C 0.535 175.850 175.510 -0.324 0.000 1.054 804 N CA 0.049 52.957 53.050 -0.236 0.000 0.905 804 N CB -0.406 37.971 38.487 -0.184 0.000 0.973 804 N HN -0.032 nan 8.380 nan 0.000 0.448 805 A N -0.437 122.236 122.820 -0.245 0.000 2.498 805 A HA 0.066 4.401 4.320 0.026 0.000 0.239 805 A C 0.662 178.032 177.584 -0.356 0.000 1.068 805 A CA -0.307 51.586 52.037 -0.241 0.000 0.766 805 A CB -0.174 18.750 19.000 -0.126 0.000 1.003 805 A HN 0.541 nan 8.150 nan 0.000 0.497 806 W N 1.646 122.680 121.300 -0.442 0.000 2.321 806 W HA -0.172 4.504 4.660 0.026 0.000 0.306 806 W C 2.198 178.075 176.519 -1.070 0.000 1.217 806 W CA 1.705 58.513 57.345 -0.894 0.000 1.257 806 W CB -0.320 28.491 29.460 -1.082 0.000 1.145 806 W HN 0.558 nan 8.180 nan 0.000 0.509 807 V N 0.705 120.442 119.914 -0.296 0.000 2.407 807 V HA -0.244 3.892 4.120 0.026 0.000 0.248 807 V C 2.155 178.307 176.094 0.097 0.000 1.055 807 V CA 2.033 64.387 62.300 0.091 0.000 1.049 807 V CB -0.311 31.623 31.823 0.185 0.000 0.662 807 V HN 0.048 nan 8.190 nan 0.000 0.455 808 E N 0.052 120.222 120.200 -0.049 0.000 2.106 808 E HA -0.163 4.203 4.350 0.026 0.000 0.192 808 E C 2.348 178.907 176.600 -0.067 0.000 0.984 808 E CA 1.111 57.486 56.400 -0.041 0.000 0.806 808 E CB -0.302 29.348 29.700 -0.083 0.000 0.750 808 E HN 0.615 nan 8.360 nan 0.000 0.458 809 R N -0.199 120.184 120.500 -0.195 0.000 2.073 809 R HA -0.117 4.239 4.340 0.026 0.000 0.234 809 R C 2.351 178.588 176.300 -0.106 0.000 1.134 809 R CA 1.383 57.351 56.100 -0.221 0.000 0.952 809 R CB -0.237 29.819 30.300 -0.406 0.000 0.850 809 R HN 0.245 nan 8.270 nan 0.000 0.433 810 W N 1.577 122.834 121.300 -0.072 0.000 2.335 810 W HA -0.116 4.560 4.660 0.027 0.000 0.311 810 W C 1.969 178.425 176.519 -0.105 0.000 1.213 810 W CA 0.783 57.974 57.345 -0.257 0.000 1.274 810 W CB -0.780 28.672 29.460 -0.013 0.000 1.148 810 W HN 0.130 nan 8.180 nan 0.000 0.498 811 K N 0.151 120.773 120.400 0.370 0.000 2.009 811 K HA -0.132 4.204 4.320 0.026 0.000 0.210 811 K C 2.294 178.950 176.600 0.093 0.000 1.049 811 K CA 1.974 58.435 56.287 0.291 0.000 0.929 811 K CB -0.696 31.927 32.500 0.203 0.000 0.714 811 K HN 0.002 nan 8.250 nan 0.000 0.440 812 A N 1.240 124.083 122.820 0.038 0.000 1.972 812 A HA -0.103 4.232 4.320 0.026 0.000 0.219 812 A C 2.228 179.793 177.584 -0.032 0.000 1.169 812 A CA 1.831 53.871 52.037 0.005 0.000 0.635 812 A CB -0.563 18.430 19.000 -0.012 0.000 0.810 812 A HN 0.361 nan 8.150 nan 0.000 0.446 813 A N -1.978 120.796 122.820 -0.077 0.000 2.208 813 A HA 0.398 4.734 4.320 0.026 0.000 0.209 813 A C 1.829 179.316 177.584 -0.160 0.000 1.161 813 A CA 1.247 53.241 52.037 -0.071 0.000 0.782 813 A CB -0.855 18.081 19.000 -0.107 0.000 0.816 813 A HN 1.890 nan 8.150 nan 0.000 0.477 814 G N -1.561 107.046 108.800 -0.322 0.000 2.141 814 G HA2 -0.308 3.668 3.960 0.026 0.000 0.242 814 G HA3 -0.308 3.668 3.960 0.026 0.000 0.242 814 G C 0.608 175.500 174.900 -0.014 0.000 0.982 814 G CA 0.676 45.409 45.100 -0.612 0.000 0.662 814 G HN 0.743 nan 8.290 nan 0.000 0.527 815 H N -1.388 117.651 119.070 -0.051 0.000 2.352 815 H HA -0.128 4.443 4.556 0.026 0.000 0.299 815 H C 2.151 177.431 175.328 -0.080 0.000 1.097 815 H CA 1.684 57.708 56.048 -0.041 0.000 1.311 815 H CB 0.042 29.716 29.762 -0.146 0.000 1.377 815 H HN 0.583 nan 8.280 nan 0.000 0.504 816 Y N 0.404 120.828 120.300 0.206 0.000 2.561 816 Y HA -0.059 4.507 4.550 0.026 0.000 0.291 816 Y C 2.000 177.985 175.900 0.142 0.000 1.141 816 Y CA 0.646 58.830 58.100 0.139 0.000 1.303 816 Y CB 0.266 38.794 38.460 0.114 0.000 1.015 816 Y HN 0.222 nan 8.280 nan 0.000 0.547 817 Q N -0.573 119.390 119.800 0.272 0.000 2.246 817 Q HA 0.328 4.683 4.340 0.026 0.000 0.222 817 Q C 0.718 176.907 176.000 0.314 0.000 0.851 817 Q CA -0.119 55.847 55.803 0.271 0.000 0.945 817 Q CB 0.564 29.470 28.738 0.280 0.000 1.122 817 Q HN 0.268 nan 8.270 nan 0.000 0.508 818 A N 1.929 124.944 122.820 0.326 0.000 2.584 818 A HA -0.082 4.254 4.320 0.026 0.000 0.239 818 A C -0.246 177.636 177.584 0.497 0.000 1.043 818 A CA 0.693 52.988 52.037 0.431 0.000 0.756 818 A CB 0.081 19.380 19.000 0.498 0.000 0.963 818 A HN 0.200 nan 8.150 nan 0.000 0.511 819 E N 1.279 121.694 120.200 0.359 0.000 2.133 819 E HA 0.457 4.823 4.350 0.026 0.000 0.274 819 E C -0.103 176.473 176.600 -0.040 0.000 0.930 819 E CA -0.500 56.026 56.400 0.210 0.000 0.770 819 E CB 1.684 31.467 29.700 0.139 0.000 1.104 819 E HN 0.798 nan 8.360 nan 0.000 0.403 820 A N 2.784 125.464 122.820 -0.232 0.000 2.451 820 A HA 0.459 4.795 4.320 0.026 0.000 0.266 820 A C -0.070 177.352 177.584 -0.269 0.000 1.119 820 A CA -0.123 51.453 52.037 -0.768 0.000 0.786 820 A CB 0.235 18.948 19.000 -0.477 0.000 1.061 820 A HN 0.599 nan 8.150 nan 0.000 0.503 821 A N 2.964 125.613 122.820 -0.285 0.000 2.303 821 A HA 0.587 4.923 4.320 0.026 0.000 0.320 821 A C -0.392 177.081 177.584 -0.185 0.000 1.192 821 A CA -0.581 51.371 52.037 -0.140 0.000 0.821 821 A CB 0.524 19.467 19.000 -0.095 0.000 1.188 821 A HN 1.171 nan 8.150 nan 0.000 0.492 822 L N 3.130 124.230 121.223 -0.206 0.000 2.360 822 L HA 0.319 4.675 4.340 0.026 0.000 0.276 822 L C 0.427 177.141 176.870 -0.259 0.000 1.121 822 L CA 0.348 54.952 54.840 -0.394 0.000 0.845 822 L CB 0.282 42.146 42.059 -0.324 0.000 1.143 822 L HN 0.771 nan 8.230 nan 0.000 0.452 823 L N 3.464 124.522 121.223 -0.274 0.000 2.575 823 L HA 0.344 4.700 4.340 0.026 0.000 0.228 823 L C 0.410 177.210 176.870 -0.117 0.000 1.075 823 L CA 0.022 54.779 54.840 -0.139 0.000 0.867 823 L CB 0.107 42.118 42.059 -0.080 0.000 1.097 823 L HN 0.715 nan 8.230 nan 0.000 0.485 824 Q N -0.508 119.194 119.800 -0.163 0.000 2.503 824 Q HA 0.297 4.653 4.340 0.026 0.000 0.268 824 Q C -2.094 173.849 176.000 -0.094 0.000 0.982 824 Q CA -0.502 55.245 55.803 -0.092 0.000 0.907 824 Q CB 2.896 31.609 28.738 -0.043 0.000 1.467 824 Q HN 0.034 nan 8.270 nan 0.000 0.394 825 C N 3.220 122.510 119.300 -0.018 0.000 3.102 825 C HA 0.683 5.158 4.460 0.026 0.000 0.363 825 C C -0.861 174.225 174.990 0.160 0.000 1.048 825 C CA 0.389 59.442 59.018 0.057 0.000 1.330 825 C CB 0.227 28.005 27.740 0.063 0.000 1.771 825 C HN 0.786 nan 8.230 nan 0.000 0.526 826 T N 2.104 116.679 114.554 0.036 0.000 2.916 826 T HA 0.904 5.270 4.350 0.026 0.000 0.292 826 T C -0.426 174.025 174.700 -0.416 0.000 1.055 826 T CA -0.328 61.733 62.100 -0.066 0.000 1.009 826 T CB 1.994 70.827 68.868 -0.058 0.000 1.118 826 T HN 1.550 nan 8.240 nan 0.000 0.497 827 A N 1.666 124.078 122.820 -0.680 0.000 2.356 827 A HA 0.746 5.081 4.320 0.026 0.000 0.310 827 A C -1.232 176.093 177.584 -0.431 0.000 1.075 827 A CA -0.735 50.802 52.037 -0.834 0.000 0.746 827 A CB 1.184 19.205 19.000 -1.632 0.000 1.221 827 A HN 0.830 nan 8.150 nan 0.000 0.443 828 D N 0.759 120.969 120.400 -0.316 0.000 2.527 828 D HA 0.595 5.251 4.640 0.026 0.000 0.233 828 D C -0.895 175.305 176.300 -0.167 0.000 1.063 828 D CA 0.062 53.947 54.000 -0.192 0.000 0.880 828 D CB 2.210 42.927 40.800 -0.138 0.000 1.457 828 D HN 0.347 nan 8.370 nan 0.000 0.475 829 T N 1.639 116.124 114.554 -0.115 0.000 2.772 829 T HA 0.476 4.841 4.350 0.026 0.000 0.288 829 T C 0.457 175.121 174.700 -0.059 0.000 0.994 829 T CA -0.481 61.567 62.100 -0.087 0.000 0.951 829 T CB 0.588 69.418 68.868 -0.064 0.000 0.933 829 T HN 0.062 nan 8.240 nan 0.000 0.447 830 L N 1.577 122.767 121.223 -0.054 0.000 2.440 830 L HA 0.567 4.923 4.340 0.026 0.000 0.262 830 L C 1.975 178.833 176.870 -0.020 0.000 1.072 830 L CA -1.012 53.806 54.840 -0.036 0.000 0.798 830 L CB 0.319 42.355 42.059 -0.038 0.000 1.307 830 L HN 0.689 nan 8.230 nan 0.000 0.475 831 A N 0.384 123.196 122.820 -0.012 0.000 1.972 831 A HA -0.161 4.175 4.320 0.026 0.000 0.219 831 A C 1.202 178.788 177.584 0.003 0.000 1.169 831 A CA 1.990 54.026 52.037 -0.002 0.000 0.635 831 A CB -0.437 18.563 19.000 0.000 0.000 0.810 831 A HN 0.911 nan 8.150 nan 0.000 0.446 832 D N -2.737 117.663 120.400 -0.001 0.000 2.556 832 D HA 0.518 5.173 4.640 0.026 0.000 0.237 832 D C 0.015 176.311 176.300 -0.006 0.000 1.296 832 D CA 0.738 54.741 54.000 0.006 0.000 0.807 832 D CB -0.001 40.806 40.800 0.012 0.000 1.084 832 D HN 0.467 nan 8.370 nan 0.000 0.510 833 A N -0.385 122.421 122.820 -0.023 0.000 2.566 833 A HA 0.549 4.885 4.320 0.026 0.000 0.290 833 A C -1.788 175.753 177.584 -0.073 0.000 1.071 833 A CA -0.666 51.342 52.037 -0.049 0.000 0.658 833 A CB 1.457 20.424 19.000 -0.056 0.000 1.285 833 A HN -0.008 nan 8.150 nan 0.000 0.427 834 V N 0.850 120.699 119.914 -0.109 0.000 2.435 834 V HA 0.585 4.720 4.120 0.026 0.000 0.290 834 V C -0.759 175.231 176.094 -0.173 0.000 1.030 834 V CA -0.426 61.786 62.300 -0.146 0.000 0.881 834 V CB 1.283 33.008 31.823 -0.164 0.000 0.983 834 V HN 0.802 nan 8.190 nan 0.000 0.445 835 L N 6.608 127.722 121.223 -0.183 0.000 2.305 835 L HA 0.613 4.969 4.340 0.026 0.000 0.284 835 L C -0.681 176.034 176.870 -0.258 0.000 1.013 835 L CA 0.047 54.783 54.840 -0.173 0.000 0.819 835 L CB 1.182 43.169 42.059 -0.119 0.000 1.227 835 L HN 0.402 nan 8.230 nan 0.000 0.417 836 I N 4.369 124.779 120.570 -0.267 0.000 2.362 836 I HA 0.378 4.564 4.170 0.026 0.000 0.289 836 I C -0.155 175.900 176.117 -0.104 0.000 0.994 836 I CA -0.226 60.850 61.300 -0.373 0.000 1.158 836 I CB 1.501 39.006 38.000 -0.824 0.000 1.315 836 I HN 0.554 nan 8.210 nan 0.000 0.451 837 T N 4.880 119.375 114.554 -0.099 0.000 2.792 837 T HA 0.627 4.993 4.350 0.026 0.000 0.280 837 T C 0.201 174.931 174.700 0.049 0.000 0.990 837 T CA -0.545 61.560 62.100 0.009 0.000 0.960 837 T CB 1.717 70.572 68.868 -0.023 0.000 0.939 837 T HN 0.759 nan 8.240 nan 0.000 0.439 838 T N -0.529 114.106 114.554 0.135 0.000 2.903 838 T HA 0.854 5.219 4.350 0.026 0.000 0.299 838 T C -1.232 173.546 174.700 0.131 0.000 1.093 838 T CA -1.064 61.111 62.100 0.125 0.000 1.002 838 T CB 2.005 71.032 68.868 0.265 0.000 1.127 838 T HN 0.773 nan 8.240 nan 0.000 0.488 839 A N 1.783 124.605 122.820 0.003 0.000 2.408 839 A HA 0.754 5.090 4.320 0.026 0.000 0.295 839 A C -1.371 176.133 177.584 -0.134 0.000 1.040 839 A CA -0.754 51.315 52.037 0.052 0.000 0.707 839 A CB 0.809 19.827 19.000 0.029 0.000 1.235 839 A HN 0.988 nan 8.150 nan 0.000 0.418 840 H N 0.220 119.328 119.070 0.063 0.000 2.797 840 H HA 0.838 5.410 4.556 0.026 0.000 0.372 840 H C -0.048 175.272 175.328 -0.012 0.000 1.168 840 H CA 0.221 56.210 56.048 -0.098 0.000 1.163 840 H CB 2.152 31.730 29.762 -0.306 0.000 1.778 840 H HN 0.996 nan 8.280 nan 0.000 0.551 841 A N 1.430 124.225 122.820 -0.042 0.000 2.359 841 A HA 0.387 4.723 4.320 0.026 0.000 0.303 841 A C -1.531 176.036 177.584 -0.027 0.000 1.066 841 A CA -0.712 51.378 52.037 0.089 0.000 0.730 841 A CB 1.156 20.189 19.000 0.055 0.000 1.211 841 A HN 0.563 nan 8.150 nan 0.000 0.439 842 W N 2.504 123.905 121.300 0.169 0.000 2.314 842 W HA 0.412 5.088 4.660 0.026 0.000 0.310 842 W C -0.302 176.233 176.519 0.026 0.000 1.075 842 W CA -0.085 57.352 57.345 0.153 0.000 1.253 842 W CB 1.517 31.123 29.460 0.244 0.000 1.238 842 W HN 0.759 nan 8.180 nan 0.000 0.440 843 Q N 1.598 121.516 119.800 0.197 0.000 2.416 843 Q HA 0.434 4.789 4.340 0.026 0.000 0.279 843 Q C -0.773 175.351 176.000 0.207 0.000 1.101 843 Q CA -0.858 55.027 55.803 0.136 0.000 0.830 843 Q CB 3.513 32.295 28.738 0.074 0.000 1.402 843 Q HN 0.360 nan 8.270 nan 0.000 0.445 844 H N 1.343 120.449 119.070 0.060 0.000 3.149 844 H HA 0.080 4.651 4.556 0.026 0.000 0.334 844 H C -1.075 174.284 175.328 0.052 0.000 1.000 844 H CA -0.093 56.000 56.048 0.075 0.000 1.415 844 H CB 1.000 30.819 29.762 0.095 0.000 1.819 844 H HN 0.856 nan 8.280 nan 0.000 0.486 845 Q N 3.383 122.983 119.800 -0.333 0.000 2.451 845 Q HA -0.231 4.124 4.340 0.026 0.000 0.305 845 Q C 0.958 176.913 176.000 -0.075 0.000 1.345 845 Q CA 1.164 56.826 55.803 -0.236 0.000 0.854 845 Q CB -1.413 27.134 28.738 -0.318 0.000 1.162 845 Q HN 1.186 nan 8.270 nan 0.000 0.440 846 G N -0.496 108.283 108.800 -0.035 0.000 2.205 846 G HA2 -0.372 3.603 3.960 0.026 0.000 0.261 846 G HA3 -0.372 3.603 3.960 0.026 0.000 0.261 846 G C 0.028 174.936 174.900 0.014 0.000 0.980 846 G CA 0.593 45.690 45.100 -0.006 0.000 0.632 846 G HN 0.322 nan 8.290 nan 0.000 0.533 847 K N 1.663 122.082 120.400 0.032 0.000 2.240 847 K HA 0.624 4.960 4.320 0.026 0.000 0.271 847 K C 0.068 176.684 176.600 0.027 0.000 1.018 847 K CA -0.215 56.094 56.287 0.036 0.000 0.874 847 K CB 0.805 33.340 32.500 0.058 0.000 1.098 847 K HN -0.011 nan 8.250 nan 0.000 0.458 848 T N 6.510 121.068 114.554 0.008 0.000 2.738 848 T HA 0.179 4.545 4.350 0.026 0.000 0.294 848 T C 1.190 175.835 174.700 -0.092 0.000 0.914 848 T CA -0.254 61.844 62.100 -0.003 0.000 1.052 848 T CB 0.159 69.041 68.868 0.024 0.000 0.897 848 T HN 0.530 nan 8.240 nan 0.000 0.522 849 L N 2.577 123.658 121.223 -0.237 0.000 2.084 849 L HA 0.257 4.613 4.340 0.026 0.000 0.202 849 L C -0.088 176.271 176.870 -0.853 0.000 1.074 849 L CA 1.022 55.439 54.840 -0.705 0.000 0.757 849 L CB -0.001 41.323 42.059 -1.225 0.000 0.918 849 L HN 0.492 nan 8.230 nan 0.000 0.444 850 F N -1.319 118.591 119.950 -0.067 0.000 2.613 850 F HA 0.581 5.124 4.527 0.026 0.000 0.310 850 F C -0.452 175.449 175.800 0.169 0.000 1.085 850 F CA -1.024 56.886 58.000 -0.148 0.000 0.945 850 F CB 1.521 40.033 39.000 -0.812 0.000 1.298 850 F HN -0.318 nan 8.300 nan 0.000 0.455 851 I N 1.401 122.200 120.570 0.381 0.000 2.499 851 I HA 0.401 4.586 4.170 0.026 0.000 0.288 851 I C -0.852 175.534 176.117 0.448 0.000 1.048 851 I CA -0.539 61.002 61.300 0.402 0.000 1.062 851 I CB 2.192 40.339 38.000 0.246 0.000 1.238 851 I HN 0.567 nan 8.210 nan 0.000 0.426 852 S N 6.873 122.930 115.700 0.596 0.000 2.498 852 S HA 0.580 5.066 4.470 0.026 0.000 0.317 852 S C -0.706 174.143 174.600 0.414 0.000 1.090 852 S CA -0.675 57.855 58.200 0.549 0.000 1.089 852 S CB 0.744 64.410 63.200 0.777 0.000 0.997 852 S HN 0.552 nan 8.310 nan 0.000 0.470 853 R N 3.526 124.195 120.500 0.282 0.000 2.437 853 R HA 0.575 4.931 4.340 0.026 0.000 0.310 853 R C -0.753 175.634 176.300 0.146 0.000 0.955 853 R CA -0.779 55.443 56.100 0.203 0.000 0.851 853 R CB 1.841 32.231 30.300 0.151 0.000 1.161 853 R HN 0.564 nan 8.270 nan 0.000 0.446 854 K N 0.652 121.135 120.400 0.139 0.000 2.480 854 K HA 0.508 4.844 4.320 0.026 0.000 0.258 854 K C -0.899 175.713 176.600 0.019 0.000 0.990 854 K CA -0.974 55.325 56.287 0.020 0.000 0.857 854 K CB 2.535 35.020 32.500 -0.024 0.000 1.384 854 K HN 0.635 nan 8.250 nan 0.000 0.446 855 T N -1.349 113.138 114.554 -0.111 0.000 2.991 855 T HA 0.477 4.842 4.350 0.026 0.000 0.303 855 T C -1.425 173.196 174.700 -0.131 0.000 1.015 855 T CA -0.772 61.309 62.100 -0.031 0.000 1.007 855 T CB 0.305 69.159 68.868 -0.023 0.000 1.034 855 T HN 0.378 nan 8.240 nan 0.000 0.446 856 Y N 1.521 121.787 120.300 -0.058 0.000 2.334 856 Y HA 0.621 5.187 4.550 0.026 0.000 0.336 856 Y C 0.645 176.470 175.900 -0.125 0.000 0.960 856 Y CA -1.187 56.891 58.100 -0.036 0.000 1.164 856 Y CB 1.622 40.098 38.460 0.028 0.000 1.155 856 Y HN 0.647 nan 8.280 nan 0.000 0.478 857 R N 4.706 125.219 120.500 0.021 0.000 2.288 857 R HA 0.598 4.953 4.340 0.026 0.000 0.326 857 R C -1.533 174.705 176.300 -0.103 0.000 0.959 857 R CA -0.333 55.736 56.100 -0.052 0.000 0.834 857 R CB 0.402 30.682 30.300 -0.034 0.000 1.157 857 R HN 0.766 nan 8.270 nan 0.000 0.470 858 I N 5.034 125.489 120.570 -0.192 0.000 2.339 858 I HA 0.217 4.403 4.170 0.026 0.000 0.290 858 I C -0.347 175.649 176.117 -0.200 0.000 0.994 858 I CA -0.802 60.307 61.300 -0.317 0.000 1.191 858 I CB 1.513 39.142 38.000 -0.620 0.000 1.343 858 I HN 0.676 nan 8.210 nan 0.000 0.458 859 D N 4.063 124.381 120.400 -0.136 0.000 2.494 859 D HA 0.281 4.937 4.640 0.026 0.000 0.259 859 D C 1.244 177.529 176.300 -0.026 0.000 1.109 859 D CA -0.764 53.200 54.000 -0.060 0.000 1.040 859 D CB 0.826 41.612 40.800 -0.024 0.000 1.175 859 D HN 0.471 nan 8.370 nan 0.000 0.584 860 G N -1.268 107.540 108.800 0.013 0.000 2.586 860 G HA2 -0.169 3.807 3.960 0.026 0.000 0.215 860 G HA3 -0.169 3.807 3.960 0.026 0.000 0.215 860 G C 1.064 175.993 174.900 0.049 0.000 1.128 860 G CA 0.960 46.086 45.100 0.043 0.000 0.774 860 G HN 0.523 nan 8.290 nan 0.000 0.543 861 S N -1.057 114.666 115.700 0.039 0.000 2.593 861 S HA 0.368 4.853 4.470 0.026 0.000 0.217 861 S C 1.818 176.467 174.600 0.082 0.000 0.966 861 S CA 0.863 59.090 58.200 0.045 0.000 0.914 861 S CB 0.038 63.260 63.200 0.036 0.000 0.776 861 S HN 1.400 nan 8.310 nan 0.000 0.523 862 G N 0.554 109.421 108.800 0.111 0.000 2.143 862 G HA2 -0.247 3.729 3.960 0.026 0.000 0.249 862 G HA3 -0.247 3.729 3.960 0.026 0.000 0.249 862 G C -0.210 174.815 174.900 0.208 0.000 0.981 862 G CA 0.119 45.364 45.100 0.242 0.000 0.665 862 G HN 0.604 nan 8.290 nan 0.000 0.528 863 Q N -0.514 119.334 119.800 0.081 0.000 2.241 863 Q HA 0.657 5.013 4.340 0.026 0.000 0.254 863 Q C 0.161 176.153 176.000 -0.013 0.000 0.917 863 Q CA -0.364 55.488 55.803 0.081 0.000 0.919 863 Q CB 1.526 30.308 28.738 0.073 0.000 1.237 863 Q HN 0.435 nan 8.270 nan 0.000 0.434 864 M N 2.185 121.818 119.600 0.054 0.000 2.078 864 M HA 0.521 5.016 4.480 0.026 0.000 0.320 864 M C -1.462 174.912 176.300 0.124 0.000 0.969 864 M CA -0.515 54.790 55.300 0.007 0.000 0.929 864 M CB 1.033 33.633 32.600 0.000 0.000 1.504 864 M HN 0.682 nan 8.290 nan 0.000 0.419 865 A N 6.815 129.675 122.820 0.067 0.000 2.276 865 A HA 0.663 4.999 4.320 0.026 0.000 0.300 865 A C -0.757 176.842 177.584 0.026 0.000 1.235 865 A CA -0.569 51.510 52.037 0.069 0.000 0.867 865 A CB 0.062 19.088 19.000 0.043 0.000 1.137 865 A HN 0.922 nan 8.150 nan 0.000 0.527 866 I N 2.599 123.172 120.570 0.004 0.000 2.362 866 I HA 0.291 4.477 4.170 0.026 0.000 0.289 866 I C -0.121 175.874 176.117 -0.203 0.000 0.994 866 I CA -0.134 61.063 61.300 -0.172 0.000 1.158 866 I CB 1.997 39.908 38.000 -0.148 0.000 1.315 866 I HN 0.497 nan 8.210 nan 0.000 0.451 867 T N 5.937 120.345 114.554 -0.244 0.000 2.771 867 T HA 0.535 4.901 4.350 0.026 0.000 0.281 867 T C -0.256 174.259 174.700 -0.308 0.000 0.982 867 T CA -0.473 61.493 62.100 -0.224 0.000 0.978 867 T CB 1.651 70.488 68.868 -0.051 0.000 0.930 867 T HN 0.205 nan 8.240 nan 0.000 0.447 868 V N 3.491 123.099 119.914 -0.510 0.000 2.531 868 V HA 0.477 4.613 4.120 0.026 0.000 0.301 868 V C -0.859 175.091 176.094 -0.241 0.000 1.034 868 V CA -0.969 61.057 62.300 -0.458 0.000 0.865 868 V CB 1.967 33.255 31.823 -0.892 0.000 0.995 868 V HN 0.861 nan 8.190 nan 0.000 0.424 869 D N 3.047 123.469 120.400 0.036 0.000 2.492 869 D HA 0.633 5.288 4.640 0.026 0.000 0.248 869 D C -0.818 175.619 176.300 0.228 0.000 1.101 869 D CA -0.197 53.916 54.000 0.188 0.000 0.840 869 D CB 2.343 43.271 40.800 0.213 0.000 1.209 869 D HN 0.324 nan 8.370 nan 0.000 0.524 870 V N 2.264 122.350 119.914 0.287 0.000 2.555 870 V HA 0.385 4.521 4.120 0.026 0.000 0.302 870 V C -0.066 176.185 176.094 0.261 0.000 1.038 870 V CA -0.778 61.705 62.300 0.305 0.000 0.887 870 V CB 1.963 34.004 31.823 0.362 0.000 0.991 870 V HN 0.455 nan 8.190 nan 0.000 0.434 871 E N 2.380 122.719 120.200 0.233 0.000 2.171 871 E HA 0.624 4.990 4.350 0.026 0.000 0.271 871 E C -1.493 175.235 176.600 0.212 0.000 0.916 871 E CA -0.543 55.972 56.400 0.191 0.000 0.774 871 E CB 2.462 32.255 29.700 0.156 0.000 1.128 871 E HN 0.433 nan 8.360 nan 0.000 0.403 872 V N 2.298 122.340 119.914 0.214 0.000 2.444 872 V HA 0.354 4.490 4.120 0.026 0.000 0.294 872 V C 0.023 176.221 176.094 0.174 0.000 1.022 872 V CA -0.938 61.518 62.300 0.261 0.000 0.850 872 V CB 1.504 33.515 31.823 0.312 0.000 0.992 872 V HN 0.830 nan 8.190 nan 0.000 0.426 873 A N 3.562 126.439 122.820 0.096 0.000 2.545 873 A HA 0.250 4.586 4.320 0.026 0.000 0.253 873 A C 1.603 179.257 177.584 0.117 0.000 1.074 873 A CA 0.601 52.677 52.037 0.065 0.000 0.760 873 A CB 0.154 19.151 19.000 -0.004 0.000 1.005 873 A HN 1.348 nan 8.150 nan 0.000 0.506 874 S N 1.574 117.342 115.700 0.113 0.000 2.442 874 S HA -0.156 4.330 4.470 0.026 0.000 0.236 874 S C 0.868 175.540 174.600 0.121 0.000 1.007 874 S CA 1.266 59.550 58.200 0.140 0.000 0.965 874 S CB -0.231 63.032 63.200 0.104 0.000 0.773 874 S HN 0.827 nan 8.310 nan 0.000 0.504 875 D N 0.195 120.643 120.400 0.080 0.000 2.342 875 D HA 0.127 4.783 4.640 0.026 0.000 0.221 875 D C 0.317 176.645 176.300 0.046 0.000 1.101 875 D CA -0.053 53.976 54.000 0.049 0.000 0.837 875 D CB -0.153 40.666 40.800 0.032 0.000 0.938 875 D HN 0.294 nan 8.370 nan 0.000 0.508 876 T N 1.735 116.341 114.554 0.086 0.000 2.895 876 T HA 0.389 4.755 4.350 0.026 0.000 0.283 876 T C -2.651 172.154 174.700 0.175 0.000 1.014 876 T CA -1.928 60.248 62.100 0.128 0.000 1.037 876 T CB 1.564 70.515 68.868 0.138 0.000 1.006 876 T HN -0.125 nan 8.240 nan 0.000 0.468 877 P HA 0.058 nan 4.420 nan 0.000 0.266 877 P C -0.623 176.998 177.300 0.536 0.000 1.195 877 P CA 0.031 63.248 63.100 0.194 0.000 0.768 877 P CB 0.049 31.832 31.700 0.139 0.000 0.838 878 H N 3.685 123.143 119.070 0.646 0.000 3.034 878 H HA 0.058 4.630 4.556 0.026 0.000 0.324 878 H C -1.461 174.216 175.328 0.582 0.000 1.015 878 H CA -1.202 55.162 56.048 0.527 0.000 1.429 878 H CB -0.457 29.559 29.762 0.424 0.000 1.429 878 H HN 0.390 nan 8.280 nan 0.000 0.585 879 P HA -0.017 nan 4.420 nan 0.000 0.272 879 P C 0.140 177.307 177.300 -0.222 0.000 1.223 879 P CA -0.216 62.900 63.100 0.026 0.000 0.784 879 P CB 1.150 32.706 31.700 -0.240 0.000 0.923 880 A N 3.574 126.001 122.820 -0.655 0.000 1.972 880 A HA -0.108 4.228 4.320 0.026 0.000 0.219 880 A C 1.098 178.292 177.584 -0.650 0.000 1.169 880 A CA 1.360 52.988 52.037 -0.681 0.000 0.635 880 A CB -0.540 17.846 19.000 -1.023 0.000 0.810 880 A HN 0.771 nan 8.150 nan 0.000 0.446 881 R N -2.738 117.419 120.500 -0.571 0.000 2.712 881 R HA 0.648 5.004 4.340 0.026 0.000 0.272 881 R C -1.746 174.309 176.300 -0.409 0.000 1.032 881 R CA -0.869 54.925 56.100 -0.510 0.000 0.874 881 R CB 0.758 30.739 30.300 -0.532 0.000 1.256 881 R HN -0.080 nan 8.270 nan 0.000 0.468 882 I N 1.301 121.663 120.570 -0.347 0.000 2.493 882 I HA 0.684 4.869 4.170 0.026 0.000 0.279 882 I C -0.181 175.694 176.117 -0.403 0.000 1.045 882 I CA -0.132 60.982 61.300 -0.311 0.000 1.106 882 I CB 0.659 38.539 38.000 -0.200 0.000 1.216 882 I HN 1.020 nan 8.210 nan 0.000 0.459 883 G N 5.932 114.432 108.800 -0.500 0.000 2.578 883 G HA2 0.738 4.713 3.960 0.026 0.000 0.302 883 G HA3 0.738 4.713 3.960 0.026 0.000 0.302 883 G C -1.674 173.033 174.900 -0.321 0.000 1.243 883 G CA -0.515 44.328 45.100 -0.428 0.000 0.843 883 G HN 0.263 nan 8.290 nan 0.000 0.486 884 L N 0.861 121.949 121.223 -0.225 0.000 2.309 884 L HA 0.676 5.032 4.340 0.026 0.000 0.261 884 L C -0.749 176.009 176.870 -0.187 0.000 1.021 884 L CA -1.138 53.604 54.840 -0.163 0.000 0.823 884 L CB 2.478 44.524 42.059 -0.021 0.000 1.366 884 L HN 0.829 nan 8.230 nan 0.000 0.423 885 N N 0.490 119.111 118.700 -0.130 0.000 2.484 885 N HA 0.657 5.413 4.740 0.026 0.000 0.269 885 N C -1.365 174.146 175.510 0.002 0.000 1.237 885 N CA -0.505 52.501 53.050 -0.072 0.000 0.838 885 N CB 2.485 40.945 38.487 -0.045 0.000 1.593 885 N HN 0.865 nan 8.380 nan 0.000 0.485 886 C N -1.102 118.221 119.300 0.038 0.000 3.303 886 C HA 0.536 5.012 4.460 0.026 0.000 0.340 886 C C -1.206 173.643 174.990 -0.236 0.000 1.274 886 C CA -0.841 58.157 59.018 -0.034 0.000 1.234 886 C CB 1.094 28.836 27.740 0.004 0.000 1.532 886 C HN 0.865 nan 8.230 nan 0.000 0.483 887 Q N 1.439 120.881 119.800 -0.596 0.000 2.372 887 Q HA 0.655 5.010 4.340 0.026 0.000 0.259 887 Q C -1.072 174.643 176.000 -0.476 0.000 0.993 887 Q CA -0.442 54.756 55.803 -1.008 0.000 0.854 887 Q CB 0.892 28.586 28.738 -1.740 0.000 1.231 887 Q HN 0.777 nan 8.270 nan 0.000 0.462 888 L N 2.812 123.862 121.223 -0.287 0.000 2.371 888 L HA 0.276 4.632 4.340 0.026 0.000 0.272 888 L C 1.188 178.003 176.870 -0.091 0.000 1.124 888 L CA -0.238 54.557 54.840 -0.075 0.000 0.816 888 L CB 0.954 43.084 42.059 0.118 0.000 1.129 888 L HN 0.824 nan 8.230 nan 0.000 0.448 889 A N 2.126 124.913 122.820 -0.055 0.000 2.015 889 A HA -0.102 4.234 4.320 0.026 0.000 0.219 889 A C 1.093 178.664 177.584 -0.021 0.000 1.163 889 A CA 0.743 52.740 52.037 -0.066 0.000 0.646 889 A CB -0.212 18.740 19.000 -0.079 0.000 0.806 889 A HN 0.737 nan 8.150 nan 0.000 0.448 890 Q N -0.494 119.331 119.800 0.040 0.000 2.306 890 Q HA 0.496 4.852 4.340 0.026 0.000 0.241 890 Q C -1.153 174.882 176.000 0.058 0.000 0.948 890 Q CA 0.163 55.979 55.803 0.022 0.000 0.886 890 Q CB 1.219 29.957 28.738 0.001 0.000 1.227 890 Q HN 0.107 nan 8.270 nan 0.000 0.457 891 V N 2.796 122.706 119.914 -0.007 0.000 2.419 891 V HA 0.768 4.904 4.120 0.026 0.000 0.287 891 V C -0.715 175.343 176.094 -0.060 0.000 1.017 891 V CA -0.485 61.844 62.300 0.048 0.000 0.844 891 V CB 1.034 32.873 31.823 0.027 0.000 1.011 891 V HN 0.872 nan 8.190 nan 0.000 0.429 892 A N 3.169 125.891 122.820 -0.163 0.000 2.299 892 A HA 0.753 5.088 4.320 0.026 0.000 0.332 892 A C 0.695 178.299 177.584 0.033 0.000 1.131 892 A CA -0.469 51.425 52.037 -0.238 0.000 0.844 892 A CB 1.117 19.711 19.000 -0.676 0.000 1.251 892 A HN 0.803 nan 8.150 nan 0.000 0.486 893 E N -0.006 120.206 120.200 0.019 0.000 2.170 893 E HA -0.010 4.355 4.350 0.026 0.000 0.191 893 E C 0.112 176.786 176.600 0.123 0.000 0.981 893 E CA 0.574 57.015 56.400 0.069 0.000 0.830 893 E CB 0.157 29.876 29.700 0.032 0.000 0.775 893 E HN 0.415 nan 8.360 nan 0.000 0.470 894 R N 0.468 121.050 120.500 0.137 0.000 2.832 894 R HA 0.537 4.892 4.340 0.026 0.000 0.271 894 R C -0.744 175.744 176.300 0.313 0.000 0.996 894 R CA -0.881 55.330 56.100 0.186 0.000 0.977 894 R CB 1.865 32.240 30.300 0.126 0.000 1.168 894 R HN -0.174 nan 8.270 nan 0.000 0.482 895 V N 2.083 122.187 119.914 0.317 0.000 2.482 895 V HA 0.329 4.465 4.120 0.026 0.000 0.295 895 V C -0.411 175.951 176.094 0.446 0.000 1.026 895 V CA -0.953 61.574 62.300 0.378 0.000 0.856 895 V CB 1.855 33.840 31.823 0.270 0.000 1.001 895 V HN 0.660 nan 8.190 nan 0.000 0.424 896 N N 4.648 123.586 118.700 0.397 0.000 2.342 896 N HA 0.554 5.310 4.740 0.026 0.000 0.293 896 N C -1.345 174.417 175.510 0.420 0.000 1.026 896 N CA -0.405 52.847 53.050 0.337 0.000 0.857 896 N CB 2.669 41.248 38.487 0.154 0.000 1.256 896 N HN 0.802 nan 8.380 nan 0.000 0.484 897 W N 3.287 124.627 121.300 0.067 0.000 3.167 897 W HA 0.545 5.221 4.660 0.026 0.000 0.324 897 W C -2.073 174.417 176.519 -0.049 0.000 1.230 897 W CA -1.125 56.235 57.345 0.025 0.000 1.184 897 W CB 0.634 30.140 29.460 0.077 0.000 1.414 897 W HN 0.228 nan 8.180 nan 0.000 0.551 898 L N 4.601 125.796 121.223 -0.047 0.000 2.283 898 L HA 0.897 5.253 4.340 0.026 0.000 0.281 898 L C -0.001 176.710 176.870 -0.266 0.000 1.033 898 L CA 0.370 54.992 54.840 -0.362 0.000 0.848 898 L CB 0.376 42.288 42.059 -0.244 0.000 1.226 898 L HN 0.956 nan 8.230 nan 0.000 0.429 899 G N 3.699 112.266 108.800 -0.390 0.000 2.428 899 G HA2 0.245 4.220 3.960 0.026 0.000 0.305 899 G HA3 0.245 4.220 3.960 0.026 0.000 0.305 899 G C -1.572 173.417 174.900 0.148 0.000 1.260 899 G CA -1.031 44.069 45.100 0.000 0.000 0.853 899 G HN 0.374 nan 8.290 nan 0.000 0.480 900 L N 1.127 122.548 121.223 0.330 0.000 2.367 900 L HA 0.601 4.957 4.340 0.026 0.000 0.275 900 L C 1.060 178.065 176.870 0.224 0.000 1.129 900 L CA 0.742 55.732 54.840 0.249 0.000 0.839 900 L CB 0.540 42.684 42.059 0.142 0.000 1.133 900 L HN 1.139 nan 8.230 nan 0.000 0.453 901 G N 2.989 111.721 108.800 -0.114 0.000 2.364 901 G HA2 0.187 4.163 3.960 0.026 0.000 0.286 901 G HA3 0.187 4.163 3.960 0.026 0.000 0.286 901 G C -2.686 171.456 174.900 -1.264 0.000 1.241 901 G CA -0.194 44.531 45.100 -0.625 0.000 0.887 901 G HN 0.331 nan 8.290 nan 0.000 0.484 902 P HA 0.047 nan 4.420 nan 0.000 0.231 902 P C 0.416 177.515 177.300 -0.335 0.000 1.168 902 P CA 0.721 63.164 63.100 -1.095 0.000 0.779 902 P CB 0.430 31.566 31.700 -0.941 0.000 0.844 903 Q N 0.508 120.103 119.800 -0.343 0.000 2.318 903 Q HA 0.152 4.508 4.340 0.026 0.000 0.222 903 Q C 0.410 176.296 176.000 -0.191 0.000 1.003 903 Q CA -0.620 55.060 55.803 -0.205 0.000 0.936 903 Q CB 0.721 29.357 28.738 -0.169 0.000 1.204 903 Q HN 0.138 nan 8.270 nan 0.000 0.524 904 E N 1.405 121.499 120.200 -0.175 0.000 2.502 904 E HA -0.107 4.259 4.350 0.026 0.000 0.261 904 E C -1.154 175.365 176.600 -0.136 0.000 0.974 904 E CA 0.281 56.566 56.400 -0.191 0.000 0.936 904 E CB 0.238 29.886 29.700 -0.086 0.000 0.926 904 E HN 0.606 nan 8.360 nan 0.000 0.459 905 N N 2.757 121.306 118.700 -0.252 0.000 2.371 905 N HA 0.271 5.026 4.740 0.026 0.000 0.280 905 N C -1.895 173.407 175.510 -0.346 0.000 1.084 905 N CA -0.673 52.285 53.050 -0.153 0.000 0.892 905 N CB 0.663 39.078 38.487 -0.120 0.000 1.653 905 N HN 0.212 nan 8.380 nan 0.000 0.480 906 Y N 0.480 120.694 120.300 -0.143 0.000 2.587 906 Y HA 0.543 5.108 4.550 0.026 0.000 0.337 906 Y C -1.422 174.408 175.900 -0.116 0.000 1.065 906 Y CA -2.042 55.965 58.100 -0.155 0.000 1.126 906 Y CB 1.448 39.819 38.460 -0.149 0.000 1.279 906 Y HN 0.432 nan 8.280 nan 0.000 0.489 907 P HA -0.220 nan 4.420 nan 0.000 0.216 907 P C 0.306 177.472 177.300 -0.224 0.000 1.154 907 P CA 2.254 65.382 63.100 0.047 0.000 0.865 907 P CB 0.201 32.028 31.700 0.212 0.000 0.789 908 D N -1.982 118.058 120.400 -0.601 0.000 2.325 908 D HA -0.004 4.652 4.640 0.026 0.000 0.225 908 D C 0.908 177.041 176.300 -0.278 0.000 1.096 908 D CA -0.014 53.409 54.000 -0.962 0.000 0.844 908 D CB -0.290 39.699 40.800 -1.351 0.000 0.925 908 D HN 0.177 nan 8.370 nan 0.000 0.513 909 R N 1.053 121.498 120.500 -0.093 0.000 2.684 909 R HA 0.190 4.546 4.340 0.026 0.000 0.252 909 R C -0.685 175.650 176.300 0.058 0.000 1.628 909 R CA -0.174 55.942 56.100 0.027 0.000 1.622 909 R CB 0.066 30.390 30.300 0.039 0.000 1.418 909 R HN 0.100 nan 8.270 nan 0.000 0.697 910 L N -1.608 119.655 121.223 0.068 0.000 3.410 910 L HA 0.328 4.684 4.340 0.026 0.000 0.309 910 L C 1.271 178.204 176.870 0.106 0.000 1.254 910 L CA 0.096 54.977 54.840 0.067 0.000 1.048 910 L CB 0.080 42.166 42.059 0.046 0.000 1.442 910 L HN 0.092 nan 8.230 nan 0.000 0.615 911 T N -2.640 112.005 114.554 0.151 0.000 2.867 911 T HA 0.017 4.383 4.350 0.026 0.000 0.268 911 T C 1.772 176.545 174.700 0.121 0.000 1.057 911 T CA 1.318 63.537 62.100 0.199 0.000 1.136 911 T CB -0.299 68.738 68.868 0.282 0.000 0.874 911 T HN 0.386 nan 8.240 nan 0.000 0.466 912 A N 1.603 124.496 122.820 0.122 0.000 2.067 912 A HA 0.647 4.983 4.320 0.026 0.000 0.217 912 A C 1.626 179.292 177.584 0.137 0.000 1.156 912 A CA 0.520 52.591 52.037 0.057 0.000 0.683 912 A CB -0.904 18.250 19.000 0.256 0.000 0.808 912 A HN 0.832 nan 8.150 nan 0.000 0.455 913 A N -0.970 121.881 122.820 0.052 0.000 2.425 913 A HA 0.453 4.789 4.320 0.026 0.000 0.249 913 A C -0.006 177.602 177.584 0.040 0.000 1.084 913 A CA -0.132 51.893 52.037 -0.019 0.000 0.781 913 A CB -0.120 18.861 19.000 -0.033 0.000 1.019 913 A HN 0.452 nan 8.150 nan 0.000 0.490 914 C N 1.105 120.424 119.300 0.032 0.000 2.435 914 C HA 0.535 5.010 4.460 0.026 0.000 0.333 914 C C -0.046 175.069 174.990 0.208 0.000 1.202 914 C CA -0.448 58.655 59.018 0.142 0.000 1.830 914 C CB 0.579 28.412 27.740 0.155 0.000 2.326 914 C HN 0.783 nan 8.230 nan 0.000 0.507 915 F N 4.034 123.853 119.950 -0.218 0.000 2.444 915 F HA 0.484 5.027 4.527 0.026 0.000 0.360 915 F C 0.352 175.809 175.800 -0.573 0.000 1.106 915 F CA 1.100 58.791 58.000 -0.516 0.000 1.170 915 F CB -0.053 38.102 39.000 -1.408 0.000 1.113 915 F HN 0.633 nan 8.300 nan 0.000 0.521 916 D N 3.304 123.021 120.400 -1.138 0.000 2.809 916 D HA 0.142 4.797 4.640 0.026 0.000 0.336 916 D C -1.684 173.689 176.300 -1.544 0.000 1.367 916 D CA -0.726 52.508 54.000 -1.276 0.000 0.815 916 D CB 1.346 41.370 40.800 -1.293 0.000 1.381 916 D HN 0.439 nan 8.370 nan 0.000 0.471 917 R N 0.894 120.615 120.500 -1.298 0.000 2.196 917 R HA 0.469 4.825 4.340 0.026 0.000 0.340 917 R C -1.340 174.241 176.300 -1.198 0.000 1.043 917 R CA -0.100 55.394 56.100 -1.010 0.000 0.883 917 R CB -0.018 29.924 30.300 -0.597 0.000 1.078 917 R HN 0.262 nan 8.270 nan 0.000 0.462 918 W N 2.791 123.561 121.300 -0.884 0.000 2.627 918 W HA 0.417 5.093 4.660 0.026 0.000 0.339 918 W C -0.323 175.810 176.519 -0.645 0.000 1.058 918 W CA -0.702 56.065 57.345 -0.963 0.000 1.223 918 W CB 1.629 30.031 29.460 -1.762 0.000 1.389 918 W HN 0.370 nan 8.180 nan 0.000 0.541 919 D N 2.876 123.234 120.400 -0.069 0.000 2.736 919 D HA 0.479 5.135 4.640 0.026 0.000 0.243 919 D C -1.500 174.895 176.300 0.159 0.000 1.304 919 D CA -0.181 53.868 54.000 0.082 0.000 0.934 919 D CB 1.158 41.970 40.800 0.021 0.000 1.382 919 D HN 0.375 nan 8.370 nan 0.000 0.571 920 L N 3.422 124.813 121.223 0.280 0.000 2.376 920 L HA 0.565 4.921 4.340 0.026 0.000 0.258 920 L C -2.269 174.715 176.870 0.190 0.000 1.013 920 L CA -1.991 52.983 54.840 0.223 0.000 0.822 920 L CB 2.953 45.177 42.059 0.275 0.000 1.388 920 L HN 0.190 nan 8.230 nan 0.000 0.413 921 P HA 0.013 nan 4.420 nan 0.000 0.272 921 P C 0.533 177.905 177.300 0.121 0.000 1.223 921 P CA -0.406 62.763 63.100 0.114 0.000 0.784 921 P CB 1.225 32.972 31.700 0.078 0.000 0.923 922 L N 3.334 124.633 121.223 0.126 0.000 2.081 922 L HA -0.233 4.123 4.340 0.026 0.000 0.212 922 L C 2.471 179.380 176.870 0.065 0.000 1.080 922 L CA 2.709 57.609 54.840 0.100 0.000 0.754 922 L CB -1.570 40.563 42.059 0.124 0.000 0.893 922 L HN 0.488 nan 8.230 nan 0.000 0.433 923 S N -1.616 114.128 115.700 0.073 0.000 2.400 923 S HA -0.193 4.292 4.470 0.026 0.000 0.232 923 S C 1.567 176.231 174.600 0.106 0.000 1.025 923 S CA 1.277 59.534 58.200 0.096 0.000 0.993 923 S CB -0.791 62.460 63.200 0.084 0.000 0.808 923 S HN 0.535 nan 8.310 nan 0.000 0.478 924 D N 0.973 121.412 120.400 0.064 0.000 2.363 924 D HA 0.118 4.774 4.640 0.026 0.000 0.226 924 D C 1.062 177.356 176.300 -0.010 0.000 1.020 924 D CA 0.490 54.505 54.000 0.024 0.000 0.892 924 D CB -0.106 40.714 40.800 0.032 0.000 0.900 924 D HN 0.385 nan 8.370 nan 0.000 0.531 925 M N -0.369 119.233 119.600 0.003 0.000 2.494 925 M HA 0.069 4.565 4.480 0.026 0.000 0.232 925 M C -0.161 176.128 176.300 -0.017 0.000 1.137 925 M CA -0.104 55.148 55.300 -0.080 0.000 1.012 925 M CB -0.768 31.771 32.600 -0.102 0.000 1.567 925 M HN -0.053 nan 8.290 nan 0.000 0.486 926 Y N 0.060 120.309 120.300 -0.084 0.000 2.361 926 Y HA 0.486 5.052 4.550 0.026 0.000 0.337 926 Y C -0.775 175.079 175.900 -0.076 0.000 0.965 926 Y CA -1.078 56.998 58.100 -0.040 0.000 1.091 926 Y CB 1.238 39.730 38.460 0.054 0.000 1.182 926 Y HN -0.119 nan 8.280 nan 0.000 0.450 927 T N 9.324 123.458 114.554 -0.700 0.000 2.753 927 T HA 0.259 4.624 4.350 0.026 0.000 0.297 927 T C -2.601 171.372 174.700 -1.211 0.000 0.981 927 T CA -1.443 60.151 62.100 -0.843 0.000 0.956 927 T CB 0.920 69.364 68.868 -0.707 0.000 0.936 927 T HN 0.471 nan 8.240 nan 0.000 0.463 928 P HA 0.071 nan 4.420 nan 0.000 0.232 928 P C -0.686 176.475 177.300 -0.232 0.000 1.738 928 P CA -0.412 62.278 63.100 -0.685 0.000 0.948 928 P CB -0.571 30.841 31.700 -0.479 0.000 1.943 929 Y N -0.126 120.126 120.300 -0.079 0.000 2.610 929 Y HA -0.092 4.474 4.550 0.026 0.000 0.332 929 Y C 2.260 178.221 175.900 0.102 0.000 1.201 929 Y CA 0.029 58.145 58.100 0.026 0.000 1.465 929 Y CB 0.209 38.610 38.460 -0.097 0.000 1.283 929 Y HN -0.081 nan 8.280 nan 0.000 0.563 930 V N 3.187 123.330 119.914 0.380 0.000 2.332 930 V HA -0.294 3.842 4.120 0.026 0.000 0.248 930 V C 0.608 176.885 176.094 0.304 0.000 1.055 930 V CA 1.448 63.950 62.300 0.337 0.000 1.038 930 V CB -0.617 31.442 31.823 0.393 0.000 0.651 930 V HN 0.594 nan 8.190 nan 0.000 0.450 931 F N 2.856 122.875 119.950 0.116 0.000 2.350 931 F HA 0.514 5.057 4.527 0.026 0.000 0.365 931 F C -2.471 173.352 175.800 0.039 0.000 1.122 931 F CA -3.679 54.335 58.000 0.023 0.000 1.139 931 F CB 0.667 39.595 39.000 -0.119 0.000 1.220 931 F HN -0.003 nan 8.300 nan 0.000 0.499 932 P HA 0.202 nan 4.420 nan 0.000 0.266 932 P C -1.004 175.988 177.300 -0.513 0.000 1.195 932 P CA 0.293 63.165 63.100 -0.380 0.000 0.768 932 P CB 0.959 32.456 31.700 -0.339 0.000 0.838 933 S N 0.192 115.775 115.700 -0.195 0.000 2.655 933 S HA 0.428 4.913 4.470 0.026 0.000 0.266 933 S C -0.887 173.707 174.600 -0.010 0.000 1.149 933 S CA -1.022 57.104 58.200 -0.123 0.000 0.818 933 S CB 0.459 63.606 63.200 -0.087 0.000 1.130 933 S HN 0.337 nan 8.310 nan 0.000 0.476 934 E N 1.216 121.425 120.200 0.015 0.000 2.502 934 E HA 0.356 4.722 4.350 0.026 0.000 0.261 934 E C -0.156 176.513 176.600 0.115 0.000 0.974 934 E CA 0.854 57.295 56.400 0.068 0.000 0.936 934 E CB -0.213 29.555 29.700 0.112 0.000 0.926 934 E HN 0.811 nan 8.360 nan 0.000 0.459 935 N N 1.353 120.151 118.700 0.163 0.000 3.116 935 N HA 0.471 5.226 4.740 0.026 0.000 0.244 935 N C 0.173 175.738 175.510 0.090 0.000 1.485 935 N CA -0.548 52.637 53.050 0.225 0.000 0.884 935 N CB 0.749 39.373 38.487 0.229 0.000 1.415 935 N HN 0.752 nan 8.380 nan 0.000 0.524 936 G N -1.326 107.485 108.800 0.019 0.000 2.155 936 G HA2 -0.271 3.704 3.960 0.026 0.000 0.257 936 G HA3 -0.271 3.704 3.960 0.026 0.000 0.257 936 G C -0.226 174.406 174.900 -0.446 0.000 0.983 936 G CA 0.549 45.537 45.100 -0.187 0.000 0.676 936 G HN 0.734 nan 8.290 nan 0.000 0.528 937 L N -0.175 120.701 121.223 -0.577 0.000 2.483 937 L HA 0.699 5.055 4.340 0.026 0.000 0.275 937 L C 0.613 176.901 176.870 -0.970 0.000 1.220 937 L CA 0.271 54.538 54.840 -0.956 0.000 0.833 937 L CB 0.598 41.791 42.059 -1.443 0.000 1.102 937 L HN 0.232 nan 8.230 nan 0.000 0.490 938 R N 2.513 122.365 120.500 -1.080 0.000 2.532 938 R HA 0.508 4.863 4.340 0.026 0.000 0.297 938 R C -1.074 174.897 176.300 -0.548 0.000 0.984 938 R CA -0.270 55.333 56.100 -0.827 0.000 0.884 938 R CB 1.401 31.020 30.300 -1.135 0.000 1.182 938 R HN 0.728 nan 8.270 nan 0.000 0.442 939 C N 0.274 119.399 119.300 -0.292 0.000 2.380 939 C HA 0.723 5.199 4.460 0.026 0.000 0.393 939 C C 1.259 176.242 174.990 -0.012 0.000 1.284 939 C CA -0.110 58.816 59.018 -0.154 0.000 2.033 939 C CB 1.339 29.004 27.740 -0.125 0.000 2.165 939 C HN 1.022 nan 8.230 nan 0.000 0.540 940 G N 1.751 110.548 108.800 -0.005 0.000 2.390 940 G HA2 -0.188 3.788 3.960 0.026 0.000 0.299 940 G HA3 -0.188 3.788 3.960 0.026 0.000 0.299 940 G C -0.047 174.910 174.900 0.096 0.000 1.002 940 G CA 0.631 45.766 45.100 0.059 0.000 0.979 940 G HN 0.803 nan 8.290 nan 0.000 0.513 941 T N -0.022 114.475 114.554 -0.095 0.000 2.806 941 T HA 0.508 4.874 4.350 0.026 0.000 0.290 941 T C 1.344 175.742 174.700 -0.503 0.000 0.966 941 T CA -0.614 61.386 62.100 -0.167 0.000 1.060 941 T CB 1.362 70.164 68.868 -0.109 0.000 0.927 941 T HN 0.229 nan 8.240 nan 0.000 0.485 942 R N 1.514 121.924 120.500 -0.151 0.000 2.254 942 R HA 0.293 4.648 4.340 0.026 0.000 0.193 942 R C 0.526 176.829 176.300 0.004 0.000 0.929 942 R CA 0.212 56.266 56.100 -0.076 0.000 1.038 942 R CB 0.379 30.764 30.300 0.143 0.000 1.009 942 R HN 0.685 nan 8.270 nan 0.000 0.512 943 E N 0.511 120.735 120.200 0.041 0.000 2.321 943 E HA 0.332 4.698 4.350 0.026 0.000 0.281 943 E C -1.833 174.899 176.600 0.219 0.000 0.910 943 E CA -0.671 55.832 56.400 0.172 0.000 0.770 943 E CB 1.536 31.305 29.700 0.114 0.000 1.225 943 E HN -0.103 nan 8.360 nan 0.000 0.417 944 L N 4.108 125.516 121.223 0.308 0.000 2.410 944 L HA 0.593 4.949 4.340 0.026 0.000 0.270 944 L C -1.802 175.266 176.870 0.330 0.000 0.983 944 L CA -0.416 54.557 54.840 0.222 0.000 0.822 944 L CB 1.744 43.786 42.059 -0.028 0.000 1.285 944 L HN 0.475 nan 8.230 nan 0.000 0.409 945 N N 4.399 123.266 118.700 0.279 0.000 2.296 945 N HA 0.425 5.181 4.740 0.026 0.000 0.294 945 N C -2.010 173.724 175.510 0.374 0.000 1.033 945 N CA -0.278 52.925 53.050 0.255 0.000 0.839 945 N CB 2.318 40.894 38.487 0.149 0.000 1.395 945 N HN 0.592 nan 8.380 nan 0.000 0.479 946 Y N 1.124 121.548 120.300 0.207 0.000 2.298 946 Y HA 0.390 4.956 4.550 0.026 0.000 0.322 946 Y C 0.611 176.595 175.900 0.140 0.000 1.138 946 Y CA 0.146 58.372 58.100 0.210 0.000 1.127 946 Y CB 0.493 39.150 38.460 0.329 0.000 1.178 946 Y HN 0.853 nan 8.280 nan 0.000 0.428 947 G N 6.583 115.206 108.800 -0.296 0.000 2.591 947 G HA2 -0.308 3.668 3.960 0.026 0.000 0.298 947 G HA3 -0.308 3.668 3.960 0.026 0.000 0.298 947 G C -1.616 173.157 174.900 -0.211 0.000 1.195 947 G CA 0.234 45.144 45.100 -0.316 0.000 0.989 947 G HN 0.618 nan 8.290 nan 0.000 0.551 948 P HA 0.155 nan 4.420 nan 0.000 0.251 948 P C 0.158 177.250 177.300 -0.346 0.000 1.223 948 P CA 0.655 63.559 63.100 -0.326 0.000 0.796 948 P CB 0.091 31.553 31.700 -0.396 0.000 1.068 949 H N 0.521 119.501 119.070 -0.149 0.000 2.482 949 H HA 0.466 5.037 4.556 0.026 0.000 0.344 949 H C -0.047 174.943 175.328 -0.563 0.000 1.151 949 H CA 0.095 55.909 56.048 -0.390 0.000 1.300 949 H CB 1.542 30.886 29.762 -0.697 0.000 1.494 949 H HN 0.105 nan 8.280 nan 0.000 0.542 950 Q N 2.283 121.737 119.800 -0.576 0.000 2.289 950 Q HA 0.213 4.568 4.340 0.026 0.000 0.270 950 Q C -1.653 174.047 176.000 -0.501 0.000 1.038 950 Q CA -0.673 54.909 55.803 -0.368 0.000 0.812 950 Q CB 2.085 30.769 28.738 -0.090 0.000 1.300 950 Q HN 0.584 nan 8.270 nan 0.000 0.427 951 W N 3.910 125.161 121.300 -0.081 0.000 2.587 951 W HA 0.576 5.252 4.660 0.026 0.000 0.324 951 W C -0.174 176.424 176.519 0.132 0.000 1.040 951 W CA -0.686 56.588 57.345 -0.118 0.000 1.222 951 W CB 1.907 31.105 29.460 -0.438 0.000 1.381 951 W HN 0.496 nan 8.180 nan 0.000 0.483 952 R N 0.825 121.552 120.500 0.379 0.000 2.750 952 R HA 0.777 5.132 4.340 0.026 0.000 0.281 952 R C 0.199 176.754 176.300 0.425 0.000 0.972 952 R CA -0.487 55.839 56.100 0.377 0.000 0.912 952 R CB 2.404 32.837 30.300 0.221 0.000 1.187 952 R HN 0.756 nan 8.270 nan 0.000 0.464 953 G N 0.819 109.842 108.800 0.372 0.000 2.534 953 G HA2 -0.018 3.957 3.960 0.026 0.000 0.142 953 G HA3 -0.018 3.957 3.960 0.026 0.000 0.142 953 G C -1.759 173.222 174.900 0.135 0.000 1.178 953 G CA -0.385 44.902 45.100 0.312 0.000 1.037 953 G HN 0.492 nan 8.290 nan 0.000 0.474 954 D N 0.089 120.569 120.400 0.134 0.000 2.381 954 D HA 0.590 5.246 4.640 0.026 0.000 0.245 954 D C -0.686 175.585 176.300 -0.049 0.000 1.297 954 D CA -0.448 53.520 54.000 -0.053 0.000 0.931 954 D CB 0.172 40.987 40.800 0.026 0.000 1.334 954 D HN 0.557 nan 8.370 nan 0.000 0.535 955 F N -0.207 119.726 119.950 -0.029 0.000 2.706 955 F HA 0.758 5.301 4.527 0.026 0.000 0.328 955 F C -0.968 174.785 175.800 -0.078 0.000 1.123 955 F CA -1.000 56.925 58.000 -0.126 0.000 0.978 955 F CB 0.756 39.677 39.000 -0.131 0.000 1.404 955 F HN -0.164 nan 8.300 nan 0.000 0.497 956 Q N 1.397 121.293 119.800 0.160 0.000 2.348 956 Q HA 0.675 5.031 4.340 0.026 0.000 0.271 956 Q C -1.264 174.817 176.000 0.134 0.000 1.067 956 Q CA -0.545 55.266 55.803 0.013 0.000 0.839 956 Q CB 2.749 31.379 28.738 -0.180 0.000 1.354 956 Q HN 0.867 nan 8.270 nan 0.000 0.447 957 F N -1.294 118.527 119.950 -0.215 0.000 2.713 957 F HA 0.728 5.271 4.527 0.026 0.000 0.311 957 F C -1.771 173.794 175.800 -0.392 0.000 1.141 957 F CA -1.107 56.717 58.000 -0.293 0.000 0.939 957 F CB 1.364 40.207 39.000 -0.262 0.000 1.325 957 F HN 0.584 nan 8.300 nan 0.000 0.453 958 N N 1.603 120.088 118.700 -0.358 0.000 2.329 958 N HA 0.734 5.490 4.740 0.026 0.000 0.282 958 N C -2.155 173.266 175.510 -0.148 0.000 1.198 958 N CA -0.735 52.075 53.050 -0.399 0.000 0.790 958 N CB 2.619 40.909 38.487 -0.329 0.000 1.579 958 N HN 1.145 nan 8.380 nan 0.000 0.475 959 I N 0.457 120.936 120.570 -0.151 0.000 2.649 959 I HA 0.686 4.872 4.170 0.026 0.000 0.289 959 I C -1.440 174.583 176.117 -0.155 0.000 1.222 959 I CA -0.009 61.185 61.300 -0.177 0.000 1.046 959 I CB 1.357 39.184 38.000 -0.289 0.000 1.272 959 I HN 1.044 nan 8.210 nan 0.000 0.425 960 S N 6.255 121.881 115.700 -0.122 0.000 2.661 960 S HA 0.534 5.020 4.470 0.026 0.000 0.268 960 S C -0.089 174.406 174.600 -0.174 0.000 1.162 960 S CA -0.973 57.138 58.200 -0.149 0.000 0.817 960 S CB 1.740 64.890 63.200 -0.083 0.000 1.141 960 S HN 0.634 nan 8.310 nan 0.000 0.477 961 R N -0.357 119.876 120.500 -0.445 0.000 2.310 961 R HA 0.234 4.590 4.340 0.026 0.000 0.202 961 R C -0.861 175.215 176.300 -0.372 0.000 0.933 961 R CA 0.383 56.234 56.100 -0.414 0.000 1.054 961 R CB -0.889 29.072 30.300 -0.565 0.000 0.985 961 R HN 0.628 nan 8.270 nan 0.000 0.489 962 Y N 0.200 120.496 120.300 -0.007 0.000 2.341 962 Y HA 0.255 4.820 4.550 0.026 0.000 0.338 962 Y C 0.797 176.521 175.900 -0.295 0.000 0.965 962 Y CA -1.582 56.444 58.100 -0.123 0.000 1.108 962 Y CB 1.229 39.558 38.460 -0.220 0.000 1.180 962 Y HN -0.112 nan 8.280 nan 0.000 0.458 963 S N 1.736 117.127 115.700 -0.516 0.000 2.614 963 S HA 0.097 4.582 4.470 0.026 0.000 0.265 963 S C 0.892 175.173 174.600 -0.533 0.000 1.303 963 S CA -0.737 56.776 58.200 -1.145 0.000 1.000 963 S CB 1.111 63.339 63.200 -1.621 0.000 0.935 963 S HN 0.696 nan 8.310 nan 0.000 0.551 964 Q N 0.527 120.034 119.800 -0.488 0.000 2.170 964 Q HA -0.173 4.183 4.340 0.026 0.000 0.203 964 Q C 2.175 178.043 176.000 -0.220 0.000 0.976 964 Q CA 1.574 57.224 55.803 -0.254 0.000 0.858 964 Q CB -0.500 28.124 28.738 -0.189 0.000 0.907 964 Q HN 0.927 nan 8.270 nan 0.000 0.433 965 Q N 0.659 120.289 119.800 -0.284 0.000 2.050 965 Q HA -0.227 4.129 4.340 0.026 0.000 0.202 965 Q C 2.145 178.043 176.000 -0.169 0.000 0.980 965 Q CA 1.618 57.307 55.803 -0.191 0.000 0.840 965 Q CB 0.030 28.655 28.738 -0.189 0.000 0.898 965 Q HN 0.406 nan 8.270 nan 0.000 0.424 966 Q N 0.025 119.707 119.800 -0.198 0.000 2.084 966 Q HA -0.175 4.181 4.340 0.026 0.000 0.202 966 Q C 2.211 178.102 176.000 -0.182 0.000 0.978 966 Q CA 1.272 56.982 55.803 -0.154 0.000 0.844 966 Q CB -0.096 28.572 28.738 -0.117 0.000 0.898 966 Q HN 0.457 nan 8.270 nan 0.000 0.426 967 L N 0.504 121.611 121.223 -0.193 0.000 2.042 967 L HA -0.229 4.127 4.340 0.026 0.000 0.210 967 L C 2.711 179.448 176.870 -0.222 0.000 1.076 967 L CA 1.714 56.428 54.840 -0.210 0.000 0.749 967 L CB -0.531 41.437 42.059 -0.151 0.000 0.893 967 L HN 0.491 nan 8.230 nan 0.000 0.432 968 M N -1.974 117.527 119.600 -0.165 0.000 2.558 968 M HA -0.025 4.471 4.480 0.026 0.000 0.255 968 M C 1.295 177.524 176.300 -0.119 0.000 1.113 968 M CA 1.435 56.650 55.300 -0.140 0.000 1.097 968 M CB -0.187 32.351 32.600 -0.104 0.000 1.426 968 M HN 0.115 nan 8.290 nan 0.000 0.488 969 E N 0.961 121.089 120.200 -0.120 0.000 2.472 969 E HA 0.117 4.482 4.350 0.026 0.000 0.196 969 E C -0.305 176.244 176.600 -0.084 0.000 1.033 969 E CA 0.140 56.490 56.400 -0.082 0.000 0.886 969 E CB 0.608 30.264 29.700 -0.073 0.000 0.944 969 E HN 0.406 nan 8.360 nan 0.000 0.492 970 T N 0.433 114.903 114.554 -0.140 0.000 2.794 970 T HA 0.109 4.475 4.350 0.026 0.000 0.280 970 T C 1.064 175.684 174.700 -0.132 0.000 0.987 970 T CA -0.449 61.563 62.100 -0.145 0.000 0.993 970 T CB 1.690 70.423 68.868 -0.225 0.000 0.939 970 T HN 0.017 nan 8.240 nan 0.000 0.449 971 S N 1.678 117.404 115.700 0.043 0.000 2.486 971 S HA 0.089 4.575 4.470 0.026 0.000 0.220 971 S C 0.243 174.954 174.600 0.185 0.000 1.011 971 S CA 0.184 58.526 58.200 0.237 0.000 0.921 971 S CB -0.208 63.260 63.200 0.447 0.000 0.785 971 S HN 0.735 nan 8.310 nan 0.000 0.517 972 H N 0.773 119.855 119.070 0.020 0.000 2.667 972 H HA 0.508 5.080 4.556 0.026 0.000 0.353 972 H C 0.954 176.225 175.328 -0.094 0.000 1.072 972 H CA -0.786 55.306 56.048 0.074 0.000 1.214 972 H CB 1.510 31.310 29.762 0.063 0.000 1.600 972 H HN 0.150 nan 8.280 nan 0.000 0.527 973 R N 2.005 122.583 120.500 0.130 0.000 2.127 973 R HA -0.179 4.177 4.340 0.026 0.000 0.238 973 R C 1.169 177.443 176.300 -0.043 0.000 1.134 973 R CA 1.913 58.023 56.100 0.016 0.000 0.975 973 R CB -0.439 29.925 30.300 0.106 0.000 0.865 973 R HN 0.779 nan 8.270 nan 0.000 0.447 974 H N 0.915 119.961 119.070 -0.040 0.000 2.546 974 H HA 0.035 4.606 4.556 0.026 0.000 0.277 974 H C 1.446 176.632 175.328 -0.238 0.000 1.004 974 H CA 0.742 56.728 56.048 -0.104 0.000 1.231 974 H CB -0.107 29.610 29.762 -0.074 0.000 1.382 974 H HN 0.324 nan 8.280 nan 0.000 0.580 975 L N 0.897 121.637 121.223 -0.806 0.000 2.592 975 L HA 0.216 4.571 4.340 0.026 0.000 0.227 975 L C 0.659 177.053 176.870 -0.793 0.000 1.127 975 L CA -0.137 54.229 54.840 -0.789 0.000 0.884 975 L CB 0.137 41.773 42.059 -0.704 0.000 1.065 975 L HN 0.055 nan 8.230 nan 0.000 0.457 976 L N -0.230 120.620 121.223 -0.622 0.000 2.417 976 L HA 0.150 4.506 4.340 0.026 0.000 0.268 976 L C -0.458 176.111 176.870 -0.501 0.000 1.158 976 L CA 0.087 54.574 54.840 -0.588 0.000 0.819 976 L CB 0.460 42.068 42.059 -0.752 0.000 1.112 976 L HN 0.136 nan 8.230 nan 0.000 0.458 977 H N 1.055 120.143 119.070 0.031 0.000 2.689 977 H HA 0.433 5.005 4.556 0.026 0.000 0.346 977 H C -0.269 175.182 175.328 0.205 0.000 1.037 977 H CA -0.920 55.192 56.048 0.107 0.000 1.234 977 H CB 1.669 31.446 29.762 0.026 0.000 1.572 977 H HN 0.759 nan 8.280 nan 0.000 0.524 978 A N 3.360 126.330 122.820 0.250 0.000 2.548 978 A HA 0.044 4.380 4.320 0.026 0.000 0.247 978 A C 0.236 177.857 177.584 0.060 0.000 1.067 978 A CA -0.005 52.037 52.037 0.008 0.000 0.757 978 A CB -0.052 18.899 19.000 -0.080 0.000 0.996 978 A HN 0.790 nan 8.150 nan 0.000 0.504 979 E N 1.126 121.368 120.200 0.070 0.000 2.312 979 E HA 0.280 4.646 4.350 0.026 0.000 0.259 979 E C 0.130 176.758 176.600 0.047 0.000 1.122 979 E CA -0.511 55.962 56.400 0.122 0.000 0.922 979 E CB 0.678 30.548 29.700 0.284 0.000 1.109 979 E HN 0.840 nan 8.360 nan 0.000 0.442 980 E N 0.505 120.722 120.200 0.028 0.000 2.392 980 E HA 0.337 4.703 4.350 0.026 0.000 0.264 980 E C 0.529 177.084 176.600 -0.075 0.000 1.024 980 E CA -0.145 56.242 56.400 -0.022 0.000 0.903 980 E CB 0.561 30.247 29.700 -0.024 0.000 0.963 980 E HN 0.689 nan 8.360 nan 0.000 0.432 981 G N 2.158 110.914 108.800 -0.073 0.000 2.642 981 G HA2 -0.199 3.777 3.960 0.026 0.000 0.231 981 G HA3 -0.199 3.777 3.960 0.026 0.000 0.231 981 G C -0.620 174.221 174.900 -0.099 0.000 1.338 981 G CA -0.168 44.872 45.100 -0.099 0.000 0.883 981 G HN 0.798 nan 8.290 nan 0.000 0.570 982 T N 0.202 114.682 114.554 -0.123 0.000 2.879 982 T HA 0.510 4.876 4.350 0.026 0.000 0.290 982 T C -0.769 173.805 174.700 -0.210 0.000 0.993 982 T CA -0.178 61.864 62.100 -0.096 0.000 0.975 982 T CB 1.349 70.244 68.868 0.044 0.000 0.981 982 T HN 0.574 nan 8.240 nan 0.000 0.439 983 W N 3.177 124.399 121.300 -0.131 0.000 2.322 983 W HA 0.587 5.263 4.660 0.026 0.000 0.307 983 W C -0.235 176.164 176.519 -0.201 0.000 1.220 983 W CA -0.654 56.609 57.345 -0.136 0.000 1.210 983 W CB 0.657 30.049 29.460 -0.114 0.000 1.223 983 W HN 0.365 nan 8.180 nan 0.000 0.511 984 L N 5.516 126.728 121.223 -0.017 0.000 2.341 984 L HA 0.513 4.869 4.340 0.026 0.000 0.278 984 L C -0.942 175.821 176.870 -0.179 0.000 1.005 984 L CA -0.477 54.235 54.840 -0.213 0.000 0.818 984 L CB 0.937 42.732 42.059 -0.440 0.000 1.259 984 L HN 0.311 nan 8.230 nan 0.000 0.418 985 N N 6.675 125.250 118.700 -0.208 0.000 2.524 985 N HA 0.449 5.205 4.740 0.026 0.000 0.261 985 N C -1.231 174.121 175.510 -0.263 0.000 0.998 985 N CA -0.144 52.785 53.050 -0.202 0.000 0.915 985 N CB 2.000 40.399 38.487 -0.147 0.000 1.187 985 N HN 0.566 nan 8.380 nan 0.000 0.507 986 I N 1.889 122.250 120.570 -0.348 0.000 2.355 986 I HA 0.228 4.414 4.170 0.026 0.000 0.288 986 I C -0.571 175.344 176.117 -0.337 0.000 0.999 986 I CA -0.602 60.451 61.300 -0.411 0.000 1.163 986 I CB 1.303 38.857 38.000 -0.743 0.000 1.316 986 I HN 0.149 nan 8.210 nan 0.000 0.454 987 D N 4.779 125.021 120.400 -0.263 0.000 2.192 987 D HA 0.253 4.909 4.640 0.026 0.000 0.246 987 D C 0.878 176.894 176.300 -0.474 0.000 1.042 987 D CA -0.295 53.496 54.000 -0.349 0.000 0.847 987 D CB 2.470 43.162 40.800 -0.180 0.000 1.186 987 D HN 0.676 nan 8.370 nan 0.000 0.461 988 G N 0.956 109.203 108.800 -0.921 0.000 2.430 988 G HA2 0.010 3.986 3.960 0.026 0.000 0.216 988 G HA3 0.010 3.986 3.960 0.026 0.000 0.216 988 G C 0.083 174.290 174.900 -1.155 0.000 1.146 988 G CA 0.508 44.936 45.100 -1.119 0.000 0.793 988 G HN 0.363 nan 8.290 nan 0.000 0.537 989 F N -1.962 117.791 119.950 -0.329 0.000 2.601 989 F HA 0.598 5.140 4.527 0.026 0.000 0.309 989 F C -0.610 175.089 175.800 -0.168 0.000 1.089 989 F CA -1.240 56.645 58.000 -0.192 0.000 0.940 989 F CB 2.074 40.904 39.000 -0.283 0.000 1.273 989 F HN 0.014 nan 8.300 nan 0.000 0.450 990 H N 1.915 120.985 119.070 0.000 0.000 2.759 990 H HA 0.521 5.093 4.556 0.026 0.000 0.354 990 H C -0.785 174.563 175.328 0.034 0.000 1.074 990 H CA -0.842 55.184 56.048 -0.038 0.000 1.226 990 H CB 1.815 31.537 29.762 -0.066 0.000 1.648 990 H HN 0.780 nan 8.280 nan 0.000 0.529 991 M N 3.521 123.032 119.600 -0.148 0.000 2.248 991 M HA 0.278 4.773 4.480 0.026 0.000 0.337 991 M C 0.458 176.837 176.300 0.132 0.000 1.121 991 M CA 0.277 55.566 55.300 -0.019 0.000 1.155 991 M CB 0.348 32.846 32.600 -0.170 0.000 1.514 991 M HN 0.844 nan 8.290 nan 0.000 0.452 992 G N 3.255 112.125 108.800 0.117 0.000 2.664 992 G HA2 0.236 4.211 3.960 0.026 0.000 0.242 992 G HA3 0.236 4.211 3.960 0.026 0.000 0.242 992 G C 0.608 175.487 174.900 -0.034 0.000 1.225 992 G CA -0.510 44.603 45.100 0.021 0.000 0.849 992 G HN 0.898 nan 8.290 nan 0.000 0.581 993 I N -0.912 119.595 120.570 -0.105 0.000 3.783 993 I HA 0.299 4.485 4.170 0.026 0.000 0.310 993 I C 1.117 177.174 176.117 -0.101 0.000 1.274 993 I CA 1.015 62.221 61.300 -0.157 0.000 1.294 993 I CB -1.324 36.474 38.000 -0.336 0.000 1.051 993 I HN 1.035 nan 8.210 nan 0.000 0.435 994 G N 1.690 110.451 108.800 -0.064 0.000 2.601 994 G HA2 0.024 3.999 3.960 0.026 0.000 0.252 994 G HA3 0.024 3.999 3.960 0.026 0.000 0.252 994 G C 0.640 175.547 174.900 0.011 0.000 1.294 994 G CA 0.611 45.711 45.100 0.001 0.000 0.912 994 G HN 1.493 nan 8.290 nan 0.000 0.574 995 G N -2.517 106.304 108.800 0.033 0.000 2.613 995 G HA2 -0.013 3.962 3.960 0.026 0.000 0.199 995 G HA3 -0.013 3.962 3.960 0.026 0.000 0.199 995 G C 0.694 175.656 174.900 0.103 0.000 0.991 995 G CA 0.918 46.050 45.100 0.053 0.000 0.756 995 G HN 0.987 nan 8.290 nan 0.000 0.515 996 D N 1.299 121.781 120.400 0.137 0.000 2.239 996 D HA 0.079 4.735 4.640 0.026 0.000 0.202 996 D C 0.939 177.280 176.300 0.069 0.000 0.993 996 D CA 2.168 56.312 54.000 0.240 0.000 0.874 996 D CB 0.099 41.040 40.800 0.235 0.000 0.922 996 D HN 0.831 nan 8.370 nan 0.000 0.464 997 D N -3.625 116.605 120.400 -0.284 0.000 2.653 997 D HA 0.244 4.900 4.640 0.026 0.000 0.258 997 D C -0.927 174.871 176.300 -0.836 0.000 1.252 997 D CA -0.725 52.663 54.000 -1.020 0.000 0.777 997 D CB 0.729 40.484 40.800 -1.741 0.000 1.339 997 D HN -0.295 nan 8.370 nan 0.000 0.422 998 S N -0.124 114.971 115.700 -1.009 0.000 2.624 998 S HA 0.268 4.754 4.470 0.026 0.000 0.246 998 S C -0.628 173.979 174.600 0.013 0.000 1.072 998 S CA -0.657 57.403 58.200 -0.234 0.000 1.045 998 S CB -0.562 62.731 63.200 0.155 0.000 0.851 998 S HN 0.591 nan 8.310 nan 0.000 0.480 999 W N 0.945 122.166 121.300 -0.133 0.000 2.007 999 W HA 0.572 5.247 4.660 0.025 0.000 0.301 999 W C -0.124 176.328 176.519 -0.113 0.000 0.887 999 W CA -0.617 56.636 57.345 -0.153 0.000 1.625 999 W CB -0.569 28.747 29.460 -0.240 0.000 1.078 999 W HN 0.171 nan 8.180 nan 0.000 0.502 1000 S N -1.379 114.222 115.700 -0.166 0.000 2.552 1000 S HA 0.550 5.036 4.470 0.026 0.000 0.272 1000 S C -3.183 171.354 174.600 -0.104 0.000 1.150 1000 S CA -1.467 56.669 58.200 -0.107 0.000 0.849 1000 S CB 1.512 64.666 63.200 -0.077 0.000 1.113 1000 S HN -0.199 nan 8.310 nan 0.000 0.458 1001 P HA 0.158 nan 4.420 nan 0.000 0.261 1001 P C 0.448 177.792 177.300 0.073 0.000 1.183 1001 P CA 0.139 63.252 63.100 0.022 0.000 0.761 1001 P CB 0.549 32.153 31.700 -0.160 0.000 0.785 1002 S N 0.769 116.552 115.700 0.137 0.000 2.733 1002 S HA 0.131 4.617 4.470 0.026 0.000 0.247 1002 S C 0.235 174.922 174.600 0.144 0.000 1.043 1002 S CA -0.298 57.956 58.200 0.089 0.000 1.066 1002 S CB -0.217 62.984 63.200 0.000 0.000 1.045 1002 S HN 0.116 nan 8.310 nan 0.000 0.586 1003 V N 2.965 123.009 119.914 0.217 0.000 2.470 1003 V HA 0.358 4.494 4.120 0.026 0.000 0.276 1003 V C 0.827 177.074 176.094 0.255 0.000 1.040 1003 V CA -0.206 62.207 62.300 0.188 0.000 1.008 1003 V CB 0.935 32.809 31.823 0.084 0.000 0.990 1003 V HN 0.522 nan 8.190 nan 0.000 0.477 1004 S N 4.071 119.934 115.700 0.271 0.000 2.573 1004 S HA 0.304 4.790 4.470 0.026 0.000 0.277 1004 S C 1.539 176.279 174.600 0.232 0.000 1.346 1004 S CA 0.082 58.432 58.200 0.251 0.000 1.034 1004 S CB 1.153 64.523 63.200 0.284 0.000 0.879 1004 S HN 0.981 nan 8.310 nan 0.000 0.528 1005 A N 3.430 126.341 122.820 0.153 0.000 1.892 1005 A HA -0.167 4.169 4.320 0.026 0.000 0.218 1005 A C 2.011 179.615 177.584 0.033 0.000 1.188 1005 A CA 1.952 54.061 52.037 0.120 0.000 0.631 1005 A CB -0.798 18.251 19.000 0.081 0.000 0.822 1005 A HN 0.969 nan 8.150 nan 0.000 0.447 1006 E N -1.095 119.053 120.200 -0.086 0.000 2.401 1006 E HA -0.150 4.215 4.350 0.026 0.000 0.199 1006 E C 0.658 177.018 176.600 -0.400 0.000 1.023 1006 E CA 0.879 57.111 56.400 -0.280 0.000 0.859 1006 E CB -0.390 29.040 29.700 -0.450 0.000 0.780 1006 E HN 0.620 nan 8.360 nan 0.000 0.523 1007 F N 1.150 121.145 119.950 0.075 0.000 2.653 1007 F HA 0.302 4.844 4.527 0.026 0.000 0.304 1007 F C 0.766 176.594 175.800 0.046 0.000 1.092 1007 F CA -0.337 57.706 58.000 0.073 0.000 1.279 1007 F CB 0.413 39.458 39.000 0.075 0.000 1.044 1007 F HN -0.162 nan 8.300 nan 0.000 0.564 1008 Q N 0.950 120.846 119.800 0.162 0.000 2.230 1008 Q HA 0.426 4.782 4.340 0.026 0.000 0.253 1008 Q C -0.202 175.809 176.000 0.019 0.000 0.919 1008 Q CA -0.524 55.340 55.803 0.103 0.000 0.908 1008 Q CB 1.915 30.792 28.738 0.232 0.000 1.245 1008 Q HN 0.184 nan 8.270 nan 0.000 0.437 1009 L N 2.509 123.733 121.223 0.002 0.000 2.384 1009 L HA 0.099 4.455 4.340 0.026 0.000 0.258 1009 L C 0.650 177.493 176.870 -0.046 0.000 1.266 1009 L CA -0.030 54.812 54.840 0.004 0.000 1.162 1009 L CB -0.453 41.505 42.059 -0.169 0.000 1.375 1009 L HN 0.681 nan 8.230 nan 0.000 0.420 1010 S N -1.008 114.566 115.700 -0.209 0.000 2.578 1010 S HA 0.161 4.647 4.470 0.026 0.000 0.231 1010 S C 1.639 176.180 174.600 -0.098 0.000 0.994 1010 S CA 0.153 58.100 58.200 -0.421 0.000 0.956 1010 S CB 0.769 63.531 63.200 -0.730 0.000 0.870 1010 S HN 0.526 nan 8.310 nan 0.000 0.494 1011 A N 1.598 124.373 122.820 -0.076 0.000 2.070 1011 A HA 0.414 4.749 4.320 0.026 0.000 0.220 1011 A C 2.159 179.589 177.584 -0.256 0.000 1.159 1011 A CA 1.344 53.191 52.037 -0.317 0.000 0.656 1011 A CB -1.321 17.192 19.000 -0.812 0.000 0.800 1011 A HN 1.498 nan 8.150 nan 0.000 0.453 1012 G N -1.389 107.374 108.800 -0.062 0.000 2.550 1012 G HA2 -0.306 3.670 3.960 0.026 0.000 0.233 1012 G HA3 -0.306 3.670 3.960 0.026 0.000 0.233 1012 G C 0.475 175.383 174.900 0.013 0.000 1.170 1012 G CA 0.496 45.616 45.100 0.033 0.000 0.693 1012 G HN 0.693 nan 8.290 nan 0.000 0.512 1013 R N -0.388 119.992 120.500 -0.199 0.000 2.513 1013 R HA 0.655 5.011 4.340 0.026 0.000 0.301 1013 R C -1.501 174.579 176.300 -0.366 0.000 0.968 1013 R CA -0.573 55.456 56.100 -0.120 0.000 0.872 1013 R CB 1.458 31.717 30.300 -0.068 0.000 1.177 1013 R HN 0.251 nan 8.270 nan 0.000 0.444 1014 Y N 0.300 120.591 120.300 -0.014 0.000 2.536 1014 Y HA 0.391 4.956 4.550 0.026 0.000 0.347 1014 Y C -0.268 175.773 175.900 0.235 0.000 1.000 1014 Y CA -0.834 57.226 58.100 -0.066 0.000 1.051 1014 Y CB 2.187 40.450 38.460 -0.328 0.000 1.259 1014 Y HN 0.576 nan 8.280 nan 0.000 0.468 1015 H N 1.990 121.331 119.070 0.452 0.000 2.865 1015 H HA 0.606 5.177 4.556 0.026 0.000 0.362 1015 H C -1.863 173.854 175.328 0.649 0.000 1.114 1015 H CA -0.905 55.399 56.048 0.426 0.000 1.208 1015 H CB 1.340 31.242 29.762 0.234 0.000 1.727 1015 H HN 0.548 nan 8.280 nan 0.000 0.534 1016 Y N 1.571 121.667 120.300 -0.340 0.000 2.592 1016 Y HA 0.405 4.970 4.550 0.026 0.000 0.334 1016 Y C -2.108 173.594 175.900 -0.331 0.000 1.136 1016 Y CA -1.112 56.867 58.100 -0.202 0.000 1.042 1016 Y CB 1.226 39.671 38.460 -0.025 0.000 1.325 1016 Y HN 0.750 nan 8.280 nan 0.000 0.457 1017 Q N 3.368 123.139 119.800 -0.047 0.000 2.331 1017 Q HA 0.811 5.167 4.340 0.026 0.000 0.272 1017 Q C -2.004 174.068 176.000 0.121 0.000 1.062 1017 Q CA -1.052 54.718 55.803 -0.056 0.000 0.806 1017 Q CB 3.222 31.967 28.738 0.011 0.000 1.312 1017 Q HN 0.833 nan 8.270 nan 0.000 0.431 1018 L N 1.311 122.591 121.223 0.094 0.000 2.370 1018 L HA 0.717 5.073 4.340 0.026 0.000 0.266 1018 L C -0.841 176.136 176.870 0.177 0.000 1.002 1018 L CA -1.301 53.639 54.840 0.167 0.000 0.818 1018 L CB 2.482 44.614 42.059 0.122 0.000 1.325 1018 L HN 0.443 nan 8.230 nan 0.000 0.418 1019 V N 1.094 121.140 119.914 0.219 0.000 2.409 1019 V HA 0.368 4.503 4.120 0.026 0.000 0.291 1019 V C -1.126 175.130 176.094 0.270 0.000 1.020 1019 V CA -0.396 62.035 62.300 0.218 0.000 0.848 1019 V CB 1.866 33.792 31.823 0.172 0.000 0.990 1019 V HN 0.600 nan 8.190 nan 0.000 0.430 1020 W N 7.166 128.522 121.300 0.093 0.000 2.429 1020 W HA 0.715 5.391 4.660 0.026 0.000 0.314 1020 W C -0.250 176.276 176.519 0.012 0.000 1.062 1020 W CA -1.093 56.249 57.345 -0.005 0.000 1.211 1020 W CB 1.418 30.939 29.460 0.101 0.000 1.305 1020 W HN 0.860 nan 8.180 nan 0.000 0.476 1021 C N 3.837 123.395 119.300 0.431 0.000 3.320 1021 C HA 0.682 5.157 4.460 0.026 0.000 0.335 1021 C C -0.574 174.530 174.990 0.189 0.000 1.430 1021 C CA -0.877 58.309 59.018 0.279 0.000 1.271 1021 C CB 1.576 29.414 27.740 0.164 0.000 1.609 1021 C HN 0.741 nan 8.230 nan 0.000 0.457 1022 Q N 1.219 121.088 119.800 0.115 0.000 2.204 1022 Q HA 0.790 5.145 4.340 0.026 0.000 0.254 1022 Q C -0.624 175.374 176.000 -0.004 0.000 0.981 1022 Q CA -0.421 55.393 55.803 0.019 0.000 0.897 1022 Q CB 1.604 30.332 28.738 -0.016 0.000 1.273 1022 Q HN 0.877 nan 8.270 nan 0.000 0.464 1023 K N 0.000 120.375 120.400 -0.042 0.000 2.780 1023 K HA 0.000 4.336 4.320 0.026 0.000 0.191 1023 K CA 0.000 56.269 56.287 -0.031 0.000 0.838 1023 K CB 0.000 32.484 32.500 -0.027 0.000 1.064 1023 K HN 0.000 nan 8.250 nan 0.000 0.543