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 1jz1_1_M DATA FIRST_RESID 3 DATA SEQUENCE ITDSLAVVLQ RRDWENPGVT QLNRLAAHPP FASWRNSEEA RTDRPSQQLR DATA SEQUENCE SLNGEWRFAW FPAPEAVPES WLECDLPEAD TVVVPSNWQM HGYDAPIYTN DATA SEQUENCE VTYPITVNPP FVPTENPTGC YSLTFNVDES WLQEGQTRII FDGVNSAFHL DATA SEQUENCE WCNGRWVGYG QDSRLPSEFD LSAFLRAGEN RLAVMVLRWS DGSYLEDQDM DATA SEQUENCE WRMSGIFRDV SLLHKPTTQI SDFHVATRFN DDFSRAVLEA EVQMCGELRD DATA SEQUENCE YLRVTVSLWQ GETQVASGTA PFGGEIIDER GGYADRVTLR LNVENPKLWS DATA SEQUENCE AEIPNLYRAV VELHTADGTL IEAEACDVGF REVRIENGLL LLNGKPLLIR DATA SEQUENCE GVNRHEHHPL HGQVMDEQTM VQDILLMKQN NFNAVRCSHY PNHPLWYTLC DATA SEQUENCE DRYGLYVVDE ANIETHGMVP MNRLTDDPRW LPAMSERVTR MVQRDRNHPS DATA SEQUENCE VIIWSLGNES GHGANHDALY RWIKSVDPSR PVQYEGGGAD TTATDIICPM DATA SEQUENCE YARVDEDQPF PAVPKWSIKK WLSLPGETRP LILCEYAHAM GNSLGGFAKY DATA SEQUENCE WQAFRQYPRL QGGFVWDWVD QSLIKYDENG NPWSAYGGDF GDTPNDRQFC DATA SEQUENCE MNGLVFADRT PHPALTEAKH QQQFFQFRLS GQTIEVTSEY LFRHSDNELL DATA SEQUENCE HWMVALDGKP LASGEVPLDV APQGKQLIEL PELPQPESAG QLWLTVRVVQ DATA SEQUENCE PNATAWSEAG HISAWQQWRL AENLSVTLPA ASHAIPHLTT SEMDFXIELG DATA SEQUENCE NKRWQFNRQS GFLSQMWIGD KKQLLTPLRD QFTRAPLDND IGVSEATRID DATA SEQUENCE PNAWVERWKA AGHYQAEAAL LQCTADTLAD AVLITTAHAW QHQGKTLFIS DATA SEQUENCE RKTYRIDGSG QMAITVDVEV ASDTPHPARI GLNCQLAQVA ERVNWLGLGP DATA SEQUENCE QENYPDRLTA AXFDRWDLPL SDMYTPYVFP SENGLRCGTR ELNYGPHQWR DATA SEQUENCE GDFQFNISRY SQQQLMETSH RHLLHAEEGT WLNIDGFHMG IGGDDSWSPS DATA SEQUENCE VSAEFQLSAG RYHYQLVWXQ 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 3 I HA 0.000 nan 4.170 nan 0.000 0.288 3 I C 0.000 176.143 176.117 0.043 0.000 1.063 3 I CA 0.000 61.325 61.300 0.041 0.000 1.566 3 I CB 0.000 38.016 38.000 0.027 0.000 1.214 4 T N -1.957 112.629 114.554 0.053 0.000 3.100 4 T HA 0.205 4.555 4.350 -0.000 0.000 0.253 4 T C 0.791 175.528 174.700 0.062 0.000 1.118 4 T CA 0.999 63.118 62.100 0.031 0.000 1.058 4 T CB -0.466 68.417 68.868 0.026 0.000 0.953 4 T HN 0.313 nan 8.240 nan 0.000 0.515 5 D N 2.302 122.795 120.400 0.156 0.000 2.340 5 D HA 0.089 4.729 4.640 -0.000 0.000 0.220 5 D C 0.976 177.474 176.300 0.330 0.000 1.039 5 D CA 0.121 54.323 54.000 0.337 0.000 0.866 5 D CB 0.001 41.051 40.800 0.417 0.000 0.913 5 D HN 0.564 nan 8.370 nan 0.000 0.523 6 S N 0.312 116.096 115.700 0.139 0.000 2.549 6 S HA 0.045 4.515 4.470 -0.000 0.000 0.283 6 S C 1.374 176.022 174.600 0.080 0.000 1.320 6 S CA -0.648 57.596 58.200 0.073 0.000 1.058 6 S CB 1.067 64.282 63.200 0.025 0.000 0.882 6 S HN -0.116 nan 8.310 nan 0.000 0.498 7 L N 4.148 125.402 121.223 0.051 0.000 1.997 7 L HA -0.128 4.212 4.340 -0.000 0.000 0.216 7 L C 3.017 179.905 176.870 0.030 0.000 1.074 7 L CA 2.601 57.478 54.840 0.061 0.000 0.763 7 L CB -1.791 40.262 42.059 -0.009 0.000 0.890 7 L HN 1.000 nan 8.230 nan 0.000 0.434 8 A N -1.380 121.446 122.820 0.010 0.000 1.940 8 A HA -0.237 4.083 4.320 -0.000 0.000 0.221 8 A C 2.490 180.070 177.584 -0.006 0.000 1.190 8 A CA 2.434 54.474 52.037 0.005 0.000 0.647 8 A CB -1.062 17.937 19.000 -0.001 0.000 0.821 8 A HN 0.263 nan 8.150 nan 0.000 0.457 9 V N -0.912 118.989 119.914 -0.022 0.000 2.273 9 V HA -0.164 3.956 4.120 -0.000 0.000 0.242 9 V C 2.572 178.596 176.094 -0.117 0.000 1.035 9 V CA 1.721 63.986 62.300 -0.058 0.000 1.013 9 V CB -0.392 31.401 31.823 -0.050 0.000 0.652 9 V HN 0.368 nan 8.190 nan 0.000 0.452 10 V N 0.684 120.499 119.914 -0.165 0.000 2.231 10 V HA -0.305 3.815 4.120 -0.000 0.000 0.250 10 V C 2.187 178.169 176.094 -0.188 0.000 1.058 10 V CA 2.340 64.432 62.300 -0.346 0.000 1.022 10 V CB -0.756 30.801 31.823 -0.443 0.000 0.640 10 V HN 0.493 nan 8.190 nan 0.000 0.445 11 L N 0.351 121.567 121.223 -0.011 0.000 2.633 11 L HA -0.123 4.217 4.340 -0.000 0.000 0.235 11 L C 2.385 179.335 176.870 0.133 0.000 1.163 11 L CA 0.813 55.789 54.840 0.226 0.000 0.859 11 L CB -0.799 41.432 42.059 0.286 0.000 0.973 11 L HN 0.432 nan 8.230 nan 0.000 0.451 12 Q N 1.044 120.844 119.800 -0.000 0.000 2.079 12 Q HA -0.149 4.191 4.340 -0.000 0.000 0.200 12 Q C 2.312 178.253 176.000 -0.098 0.000 0.974 12 Q CA 1.495 57.277 55.803 -0.034 0.000 0.840 12 Q CB -0.044 28.661 28.738 -0.054 0.000 0.898 12 Q HN 0.223 nan 8.270 nan 0.000 0.430 13 R N 0.369 120.787 120.500 -0.136 0.000 2.105 13 R HA -0.007 4.333 4.340 -0.000 0.000 0.239 13 R C 0.340 176.444 176.300 -0.327 0.000 1.135 13 R CA 1.159 57.143 56.100 -0.193 0.000 0.967 13 R CB -0.265 29.921 30.300 -0.190 0.000 0.861 13 R HN 0.356 nan 8.270 nan 0.000 0.442 14 R N 0.749 120.943 120.500 -0.511 0.000 3.261 14 R HA -0.126 4.214 4.340 -0.000 0.000 0.257 14 R C -0.050 175.694 176.300 -0.926 0.000 1.014 14 R CA 0.411 55.734 56.100 -1.296 0.000 0.681 14 R CB -1.206 28.542 30.300 -0.919 0.000 1.155 14 R HN 0.335 nan 8.270 nan 0.000 0.424 15 D N -0.276 119.803 120.400 -0.534 0.000 2.182 15 D HA -0.191 4.449 4.640 -0.000 0.000 0.201 15 D C 1.606 177.851 176.300 -0.093 0.000 0.986 15 D CA 1.843 55.631 54.000 -0.353 0.000 0.847 15 D CB -0.153 40.231 40.800 -0.692 0.000 0.942 15 D HN 0.731 nan 8.370 nan 0.000 0.467 16 W N 1.596 122.934 121.300 0.064 0.000 3.204 16 W HA 0.133 4.793 4.660 -0.000 0.000 0.249 16 W C 0.459 177.093 176.519 0.190 0.000 1.322 16 W CA -0.113 57.370 57.345 0.229 0.000 1.593 16 W CB -0.245 29.379 29.460 0.274 0.000 1.122 16 W HN -0.166 nan 8.180 nan 0.000 0.710 17 E N 0.941 120.970 120.200 -0.284 0.000 2.995 17 E HA 0.058 4.408 4.350 -0.000 0.000 0.203 17 E C -0.772 175.720 176.600 -0.180 0.000 0.980 17 E CA -0.224 56.091 56.400 -0.141 0.000 1.172 17 E CB -0.179 29.474 29.700 -0.079 0.000 1.088 17 E HN 0.094 nan 8.360 nan 0.000 0.463 18 N N 1.226 119.839 118.700 -0.145 0.000 2.594 18 N HA 0.136 4.876 4.740 -0.000 0.000 0.280 18 N C -2.242 173.149 175.510 -0.197 0.000 1.156 18 N CA -1.951 50.979 53.050 -0.200 0.000 0.831 18 N CB 1.478 39.852 38.487 -0.190 0.000 1.379 18 N HN -0.234 nan 8.380 nan 0.000 0.536 19 P HA -0.047 nan 4.420 nan 0.000 0.220 19 P C 1.175 178.248 177.300 -0.380 0.000 1.144 19 P CA 1.058 63.834 63.100 -0.541 0.000 0.800 19 P CB 0.131 31.065 31.700 -1.278 0.000 0.772 20 G N -0.596 108.018 108.800 -0.309 0.000 2.484 20 G HA2 0.001 3.961 3.960 -0.000 0.000 0.218 20 G HA3 0.001 3.961 3.960 -0.000 0.000 0.218 20 G C 0.354 175.183 174.900 -0.118 0.000 1.130 20 G CA 0.208 45.181 45.100 -0.211 0.000 0.784 20 G HN 0.239 nan 8.290 nan 0.000 0.543 21 V N 1.224 121.090 119.914 -0.080 0.000 2.350 21 V HA 0.401 4.521 4.120 -0.000 0.000 0.285 21 V C 0.855 177.017 176.094 0.114 0.000 1.014 21 V CA 0.183 62.492 62.300 0.014 0.000 0.831 21 V CB 1.308 33.135 31.823 0.006 0.000 1.000 21 V HN 0.299 nan 8.190 nan 0.000 0.433 22 T N 0.756 115.364 114.554 0.091 0.000 3.003 22 T HA 0.354 4.704 4.350 -0.000 0.000 0.261 22 T C 0.236 174.963 174.700 0.044 0.000 1.003 22 T CA 0.235 62.383 62.100 0.080 0.000 0.917 22 T CB 0.401 69.275 68.868 0.009 0.000 1.084 22 T HN 0.704 nan 8.240 nan 0.000 0.522 23 Q N 0.393 120.266 119.800 0.121 0.000 2.687 23 Q HA 0.702 5.042 4.340 -0.000 0.000 0.295 23 Q C -2.251 173.877 176.000 0.214 0.000 0.920 23 Q CA -1.064 54.799 55.803 0.100 0.000 0.766 23 Q CB 0.981 29.702 28.738 -0.030 0.000 1.467 23 Q HN 0.239 nan 8.270 nan 0.000 0.415 24 L N 1.728 123.099 121.223 0.247 0.000 2.528 24 L HA 0.560 4.900 4.340 -0.000 0.000 0.267 24 L C -0.747 176.267 176.870 0.239 0.000 0.961 24 L CA -0.842 54.160 54.840 0.270 0.000 0.866 24 L CB 1.922 44.245 42.059 0.440 0.000 1.248 24 L HN 0.858 nan 8.230 nan 0.000 0.404 25 N N 0.885 119.684 118.700 0.165 0.000 2.741 25 N HA -0.219 4.521 4.740 -0.000 0.000 0.251 25 N C 0.180 175.769 175.510 0.131 0.000 1.112 25 N CA 0.817 53.963 53.050 0.160 0.000 0.750 25 N CB -0.767 37.808 38.487 0.148 0.000 1.119 25 N HN 0.694 nan 8.380 nan 0.000 0.561 26 R N 1.162 121.614 120.500 -0.081 0.000 2.390 26 R HA 0.401 4.741 4.340 -0.000 0.000 0.291 26 R C 0.773 176.901 176.300 -0.286 0.000 1.070 26 R CA -0.442 55.340 56.100 -0.529 0.000 1.014 26 R CB 0.610 30.601 30.300 -0.516 0.000 1.007 26 R HN 0.110 nan 8.270 nan 0.000 0.466 27 L N 2.573 123.614 121.223 -0.303 0.000 2.456 27 L HA 0.280 4.620 4.340 -0.000 0.000 0.246 27 L C 0.751 177.577 176.870 -0.073 0.000 1.238 27 L CA -0.510 54.264 54.840 -0.111 0.000 0.826 27 L CB 0.229 42.265 42.059 -0.039 0.000 1.150 27 L HN 0.739 nan 8.230 nan 0.000 0.514 28 A N 0.240 123.066 122.820 0.010 0.000 2.322 28 A HA 0.615 4.935 4.320 -0.000 0.000 0.269 28 A C 0.104 177.751 177.584 0.105 0.000 1.094 28 A CA -0.175 51.886 52.037 0.039 0.000 0.807 28 A CB 0.547 19.587 19.000 0.067 0.000 1.047 28 A HN 0.758 nan 8.150 nan 0.000 0.487 29 A N 0.820 123.656 122.820 0.027 0.000 2.332 29 A HA 0.692 5.012 4.320 -0.000 0.000 0.258 29 A C 0.064 177.644 177.584 -0.008 0.000 1.087 29 A CA 0.565 52.559 52.037 -0.071 0.000 0.802 29 A CB -0.113 18.817 19.000 -0.118 0.000 1.042 29 A HN 2.035 nan 8.150 nan 0.000 0.489 30 H N -2.450 116.534 119.070 -0.143 0.000 2.921 30 H HA 0.546 5.102 4.556 -0.000 0.000 0.287 30 H C -3.418 171.683 175.328 -0.378 0.000 1.434 30 H CA -1.511 54.408 56.048 -0.216 0.000 1.178 30 H CB 0.066 29.705 29.762 -0.204 0.000 1.836 30 H HN 0.428 nan 8.280 nan 0.000 0.495 31 P HA 0.208 nan 4.420 nan 0.000 0.272 31 P C -2.609 174.402 177.300 -0.482 0.000 1.240 31 P CA -1.525 61.347 63.100 -0.380 0.000 0.791 31 P CB -0.406 31.057 31.700 -0.396 0.000 0.978 32 P HA 0.072 nan 4.420 nan 0.000 0.261 32 P C -0.769 176.539 177.300 0.013 0.000 1.183 32 P CA 1.006 64.015 63.100 -0.153 0.000 0.761 32 P CB -0.182 31.515 31.700 -0.006 0.000 0.785 33 F N 1.236 121.317 119.950 0.217 0.000 2.538 33 F HA 0.597 5.124 4.527 -0.000 0.000 0.325 33 F C 1.139 176.917 175.800 -0.036 0.000 1.066 33 F CA -0.963 57.111 58.000 0.123 0.000 0.946 33 F CB 1.997 41.031 39.000 0.057 0.000 1.199 33 F HN 0.223 nan 8.300 nan 0.000 0.473 34 A N 0.254 123.093 122.820 0.032 0.000 2.140 34 A HA 0.274 4.594 4.320 -0.000 0.000 0.199 34 A C 0.879 178.250 177.584 -0.355 0.000 1.416 34 A CA 0.611 52.402 52.037 -0.410 0.000 1.018 34 A CB -0.064 18.117 19.000 -1.364 0.000 1.117 34 A HN 0.820 nan 8.150 nan 0.000 0.480 35 S N -0.597 115.006 115.700 -0.161 0.000 3.748 35 S HA -0.131 4.339 4.470 -0.000 0.000 0.329 35 S C 0.019 174.597 174.600 -0.036 0.000 1.104 35 S CA 0.388 58.523 58.200 -0.110 0.000 0.954 35 S CB -1.849 61.253 63.200 -0.164 0.000 0.910 35 S HN 0.504 nan 8.310 nan 0.000 0.494 36 W N 1.121 122.425 121.300 0.007 0.000 2.226 36 W HA 0.116 4.776 4.660 -0.000 0.000 0.352 36 W C 1.584 178.102 176.519 -0.002 0.000 1.277 36 W CA -0.008 57.346 57.345 0.014 0.000 1.305 36 W CB 0.104 29.572 29.460 0.013 0.000 1.193 36 W HN 0.354 nan 8.180 nan 0.000 0.596 37 R N 1.219 121.889 120.500 0.282 0.000 2.535 37 R HA 0.084 4.424 4.340 -0.000 0.000 0.323 37 R C 0.035 176.418 176.300 0.139 0.000 0.979 37 R CA -0.086 56.111 56.100 0.161 0.000 1.120 37 R CB 0.359 30.723 30.300 0.107 0.000 1.306 37 R HN 0.407 nan 8.270 nan 0.000 0.540 38 N N 0.899 119.701 118.700 0.170 0.000 2.454 38 N HA -0.011 4.729 4.740 -0.000 0.000 0.291 38 N C 0.584 176.081 175.510 -0.021 0.000 1.079 38 N CA 0.168 53.262 53.050 0.073 0.000 0.893 38 N CB 2.111 40.635 38.487 0.062 0.000 1.512 38 N HN -0.080 nan 8.380 nan 0.000 0.497 39 S N 3.251 118.918 115.700 -0.055 0.000 2.369 39 S HA -0.218 4.252 4.470 -0.000 0.000 0.225 39 S C 1.297 175.748 174.600 -0.249 0.000 1.043 39 S CA 1.340 59.462 58.200 -0.132 0.000 1.074 39 S CB -0.331 62.825 63.200 -0.073 0.000 0.962 39 S HN 0.666 nan 8.310 nan 0.000 0.433 40 E N 1.248 121.330 120.200 -0.196 0.000 2.086 40 E HA -0.178 4.172 4.350 -0.000 0.000 0.200 40 E C 2.223 178.649 176.600 -0.290 0.000 1.012 40 E CA 1.684 57.938 56.400 -0.243 0.000 0.812 40 E CB -0.620 28.987 29.700 -0.155 0.000 0.743 40 E HN 0.778 nan 8.360 nan 0.000 0.453 41 E N 0.213 120.274 120.200 -0.233 0.000 2.038 41 E HA -0.194 4.156 4.350 -0.000 0.000 0.195 41 E C 2.055 178.235 176.600 -0.700 0.000 1.000 41 E CA 1.168 57.440 56.400 -0.213 0.000 0.803 41 E CB -0.157 29.603 29.700 0.099 0.000 0.750 41 E HN 0.232 nan 8.360 nan 0.000 0.448 42 A N 1.581 123.586 122.820 -1.357 0.000 1.877 42 A HA -0.237 4.083 4.320 -0.000 0.000 0.216 42 A C 2.121 179.064 177.584 -1.068 0.000 1.186 42 A CA 1.806 52.490 52.037 -2.254 0.000 0.620 42 A CB -0.583 17.531 19.000 -1.476 0.000 0.822 42 A HN 0.137 nan 8.150 nan 0.000 0.443 43 R N -0.110 119.988 120.500 -0.670 0.000 2.127 43 R HA -0.135 4.205 4.340 -0.000 0.000 0.238 43 R C 1.451 177.509 176.300 -0.403 0.000 1.134 43 R CA 2.072 57.865 56.100 -0.512 0.000 0.975 43 R CB -0.419 29.522 30.300 -0.598 0.000 0.865 43 R HN 0.593 nan 8.270 nan 0.000 0.447 44 T N -2.780 111.564 114.554 -0.350 0.000 3.134 44 T HA 0.122 4.472 4.350 -0.000 0.000 0.260 44 T C -0.006 174.636 174.700 -0.096 0.000 1.027 44 T CA 0.121 62.102 62.100 -0.198 0.000 0.913 44 T CB 0.265 69.041 68.868 -0.154 0.000 1.046 44 T HN 0.272 nan 8.240 nan 0.000 0.553 45 D N 1.477 121.797 120.400 -0.132 0.000 2.723 45 D HA -0.152 4.488 4.640 -0.000 0.000 0.236 45 D C 0.340 176.790 176.300 0.251 0.000 1.138 45 D CA 0.395 54.464 54.000 0.116 0.000 0.676 45 D CB -0.619 40.262 40.800 0.136 0.000 1.069 45 D HN 0.504 nan 8.370 nan 0.000 0.430 46 R N -0.365 120.300 120.500 0.275 0.000 2.745 46 R HA 0.559 4.899 4.340 -0.000 0.000 0.251 46 R C -2.083 174.484 176.300 0.445 0.000 1.257 46 R CA -0.940 55.344 56.100 0.308 0.000 1.102 46 R CB -0.375 30.060 30.300 0.224 0.000 1.151 46 R HN 0.136 nan 8.270 nan 0.000 0.571 47 P HA 0.153 nan 4.420 nan 0.000 0.301 47 P C -0.985 176.360 177.300 0.074 0.000 1.337 47 P CA -0.420 62.773 63.100 0.155 0.000 0.889 47 P CB 1.681 33.443 31.700 0.102 0.000 1.050 48 S N 1.845 117.448 115.700 -0.163 0.000 2.508 48 S HA 0.133 4.603 4.470 -0.000 0.000 0.284 48 S C 1.048 175.610 174.600 -0.064 0.000 1.192 48 S CA -0.454 57.597 58.200 -0.249 0.000 1.070 48 S CB 0.592 63.357 63.200 -0.725 0.000 1.004 48 S HN 0.320 nan 8.310 nan 0.000 0.493 49 Q N 2.346 122.164 119.800 0.029 0.000 2.369 49 Q HA -0.052 4.288 4.340 -0.000 0.000 0.206 49 Q C 0.925 177.069 176.000 0.240 0.000 0.963 49 Q CA 0.521 56.401 55.803 0.128 0.000 0.894 49 Q CB -0.162 28.663 28.738 0.146 0.000 0.965 49 Q HN 0.782 nan 8.270 nan 0.000 0.475 50 Q N 0.528 120.397 119.800 0.116 0.000 2.444 50 Q HA 0.116 4.456 4.340 -0.000 0.000 0.206 50 Q C 0.149 176.200 176.000 0.085 0.000 0.948 50 Q CA 0.225 56.074 55.803 0.078 0.000 0.946 50 Q CB -0.055 28.625 28.738 -0.097 0.000 1.027 50 Q HN 0.167 nan 8.270 nan 0.000 0.513 51 L N 1.007 122.300 121.223 0.115 0.000 2.343 51 L HA 0.481 4.821 4.340 -0.000 0.000 0.278 51 L C -1.170 175.783 176.870 0.140 0.000 0.996 51 L CA -0.390 54.506 54.840 0.093 0.000 0.831 51 L CB 1.531 43.565 42.059 -0.042 0.000 1.232 51 L HN -0.110 nan 8.230 nan 0.000 0.413 52 R N 2.728 123.333 120.500 0.175 0.000 2.575 52 R HA 0.469 4.809 4.340 -0.000 0.000 0.293 52 R C -1.045 175.288 176.300 0.055 0.000 0.983 52 R CA -0.544 55.626 56.100 0.116 0.000 0.887 52 R CB 2.269 32.653 30.300 0.140 0.000 1.184 52 R HN 0.707 nan 8.270 nan 0.000 0.445 53 S N 3.145 118.865 115.700 0.034 0.000 2.562 53 S HA 0.308 4.778 4.470 -0.000 0.000 0.275 53 S C 0.859 175.472 174.600 0.023 0.000 1.281 53 S CA -0.528 57.686 58.200 0.023 0.000 1.045 53 S CB 0.565 63.786 63.200 0.035 0.000 0.962 53 S HN 0.566 nan 8.310 nan 0.000 0.503 54 L N 3.491 124.737 121.223 0.039 0.000 2.910 54 L HA 0.299 4.639 4.340 -0.000 0.000 0.252 54 L C 0.081 177.154 176.870 0.338 0.000 1.195 54 L CA -0.316 54.588 54.840 0.107 0.000 1.003 54 L CB -0.506 41.590 42.059 0.062 0.000 1.328 54 L HN 0.521 nan 8.230 nan 0.000 0.540 55 N N 1.696 120.513 118.700 0.194 0.000 2.513 55 N HA 0.480 5.220 4.740 -0.000 0.000 0.268 55 N C 0.641 176.297 175.510 0.243 0.000 1.180 55 N CA 0.757 53.920 53.050 0.188 0.000 0.948 55 N CB 1.790 40.319 38.487 0.069 0.000 1.083 55 N HN 0.337 nan 8.380 nan 0.000 0.455 56 G N 0.924 109.908 108.800 0.307 0.000 2.403 56 G HA2 -0.050 3.910 3.960 -0.000 0.000 0.223 56 G HA3 -0.050 3.910 3.960 -0.000 0.000 0.223 56 G C -1.378 173.777 174.900 0.425 0.000 1.287 56 G CA -0.766 44.504 45.100 0.282 0.000 0.982 56 G HN 0.452 nan 8.290 nan 0.000 0.471 57 E N -0.412 119.979 120.200 0.320 0.000 2.338 57 E HA 0.516 4.866 4.350 -0.000 0.000 0.272 57 E C -1.061 175.791 176.600 0.420 0.000 1.029 57 E CA 0.039 56.627 56.400 0.314 0.000 0.872 57 E CB 0.774 30.574 29.700 0.167 0.000 1.015 57 E HN 0.390 nan 8.360 nan 0.000 0.417 58 W N 1.399 122.773 121.300 0.125 0.000 3.038 58 W HA 0.408 5.068 4.660 -0.000 0.000 0.347 58 W C -0.570 176.050 176.519 0.169 0.000 1.219 58 W CA -0.689 56.759 57.345 0.171 0.000 1.142 58 W CB 1.005 30.615 29.460 0.249 0.000 1.484 58 W HN 0.273 nan 8.180 nan 0.000 0.586 59 R N 1.604 122.362 120.500 0.430 0.000 2.460 59 R HA 0.643 4.983 4.340 -0.000 0.000 0.303 59 R C -1.520 174.970 176.300 0.317 0.000 0.968 59 R CA -0.835 55.448 56.100 0.304 0.000 0.889 59 R CB 1.991 32.412 30.300 0.201 0.000 1.123 59 R HN 0.368 nan 8.270 nan 0.000 0.455 60 F N 1.124 121.073 119.950 -0.002 0.000 2.563 60 F HA 0.698 5.225 4.527 -0.000 0.000 0.316 60 F C -1.386 174.264 175.800 -0.250 0.000 1.076 60 F CA -0.683 57.173 58.000 -0.240 0.000 0.921 60 F CB 2.088 40.802 39.000 -0.477 0.000 1.209 60 F HN 0.657 nan 8.300 nan 0.000 0.462 61 A N 4.471 126.333 122.820 -1.595 0.000 2.517 61 A HA 0.522 4.842 4.320 -0.000 0.000 0.297 61 A C -2.422 174.281 177.584 -1.468 0.000 1.050 61 A CA -0.519 50.783 52.037 -1.224 0.000 0.694 61 A CB 0.525 19.220 19.000 -0.510 0.000 1.277 61 A HN 0.968 nan 8.150 nan 0.000 0.400 62 W N 2.644 123.167 121.300 -1.294 0.000 2.551 62 W HA 0.779 5.439 4.660 -0.000 0.000 0.330 62 W C -1.901 174.140 176.519 -0.796 0.000 1.063 62 W CA -0.439 56.364 57.345 -0.903 0.000 1.222 62 W CB 1.205 30.321 29.460 -0.574 0.000 1.349 62 W HN 0.494 nan 8.180 nan 0.000 0.536 63 F N 5.791 125.096 119.950 -1.075 0.000 2.578 63 F HA 0.335 4.862 4.527 -0.000 0.000 0.311 63 F C -1.388 173.539 175.800 -1.454 0.000 1.094 63 F CA -2.669 54.817 58.000 -0.857 0.000 0.923 63 F CB 1.479 40.157 39.000 -0.537 0.000 1.230 63 F HN 0.193 nan 8.300 nan 0.000 0.450 64 P HA 0.026 nan 4.420 nan 0.000 0.225 64 P C -0.184 177.016 177.300 -0.167 0.000 1.148 64 P CA 1.120 64.037 63.100 -0.304 0.000 0.779 64 P CB 0.548 32.317 31.700 0.115 0.000 0.780 65 A N -1.246 121.477 122.820 -0.161 0.000 2.599 65 A HA 0.503 4.823 4.320 -0.000 0.000 0.294 65 A C -2.411 175.071 177.584 -0.170 0.000 1.055 65 A CA -1.003 50.969 52.037 -0.107 0.000 0.683 65 A CB 0.489 19.488 19.000 -0.001 0.000 1.278 65 A HN -0.289 nan 8.150 nan 0.000 0.412 66 P HA -0.145 nan 4.420 nan 0.000 0.215 66 P C 0.891 178.080 177.300 -0.185 0.000 1.153 66 P CA 1.773 64.724 63.100 -0.248 0.000 0.853 66 P CB 0.199 31.724 31.700 -0.291 0.000 0.788 67 E N 0.712 120.869 120.200 -0.073 0.000 2.070 67 E HA -0.167 4.183 4.350 -0.000 0.000 0.197 67 E C 2.271 178.830 176.600 -0.068 0.000 1.004 67 E CA 1.761 58.143 56.400 -0.031 0.000 0.805 67 E CB -1.286 28.432 29.700 0.030 0.000 0.744 67 E HN 0.184 nan 8.360 nan 0.000 0.451 68 A N 1.114 123.900 122.820 -0.057 0.000 2.139 68 A HA -0.098 4.222 4.320 -0.000 0.000 0.221 68 A C 0.994 178.466 177.584 -0.188 0.000 1.159 68 A CA 0.560 52.594 52.037 -0.006 0.000 0.662 68 A CB -0.600 18.492 19.000 0.154 0.000 0.796 68 A HN 0.078 nan 8.150 nan 0.000 0.463 69 V N 1.968 121.597 119.914 -0.475 0.000 2.655 69 V HA 0.209 4.329 4.120 -0.000 0.000 0.300 69 V C -2.068 173.845 176.094 -0.302 0.000 1.044 69 V CA -1.196 60.655 62.300 -0.747 0.000 1.095 69 V CB 0.634 31.897 31.823 -0.933 0.000 0.952 69 V HN 0.352 nan 8.190 nan 0.000 0.485 70 P HA 0.337 nan 4.420 nan 0.000 0.296 70 P C 0.390 177.681 177.300 -0.016 0.000 1.306 70 P CA -0.548 62.522 63.100 -0.050 0.000 0.818 70 P CB 1.641 33.357 31.700 0.027 0.000 0.969 71 E N 1.870 122.052 120.200 -0.029 0.000 2.169 71 E HA -0.232 4.118 4.350 -0.000 0.000 0.202 71 E C 1.634 178.202 176.600 -0.053 0.000 1.016 71 E CA 2.416 58.788 56.400 -0.047 0.000 0.817 71 E CB -0.274 29.399 29.700 -0.046 0.000 0.736 71 E HN 0.453 nan 8.360 nan 0.000 0.462 72 S N -0.230 115.462 115.700 -0.013 0.000 2.400 72 S HA -0.224 4.246 4.470 -0.000 0.000 0.232 72 S C 1.442 176.026 174.600 -0.027 0.000 1.025 72 S CA 1.048 59.238 58.200 -0.016 0.000 0.993 72 S CB -0.735 62.479 63.200 0.024 0.000 0.808 72 S HN 0.546 nan 8.310 nan 0.000 0.478 73 W N 2.730 123.940 121.300 -0.149 0.000 2.308 73 W HA -0.177 4.483 4.660 -0.000 0.000 0.301 73 W C 1.594 177.996 176.519 -0.196 0.000 1.220 73 W CA 1.044 58.290 57.345 -0.165 0.000 1.240 73 W CB -0.667 28.663 29.460 -0.217 0.000 1.142 73 W HN 0.252 nan 8.180 nan 0.000 0.521 74 L N 0.045 120.960 121.223 -0.513 0.000 2.083 74 L HA -0.214 4.126 4.340 -0.000 0.000 0.209 74 L C 2.620 179.205 176.870 -0.474 0.000 1.083 74 L CA 1.521 55.938 54.840 -0.704 0.000 0.752 74 L CB -0.748 40.971 42.059 -0.565 0.000 0.899 74 L HN -0.066 nan 8.230 nan 0.000 0.433 75 E N -1.094 118.929 120.200 -0.296 0.000 2.057 75 E HA 0.053 4.403 4.350 -0.000 0.000 0.190 75 E C 0.346 176.854 176.600 -0.155 0.000 0.969 75 E CA 0.512 56.803 56.400 -0.181 0.000 0.812 75 E CB 0.111 29.744 29.700 -0.111 0.000 0.777 75 E HN 0.336 nan 8.360 nan 0.000 0.455 76 C N 1.546 120.771 119.300 -0.125 0.000 2.712 76 C HA 0.371 4.831 4.460 -0.000 0.000 0.308 76 C C -0.077 174.906 174.990 -0.012 0.000 1.201 76 C CA -1.327 57.653 59.018 -0.063 0.000 1.554 76 C CB 1.681 29.408 27.740 -0.022 0.000 2.117 76 C HN 0.232 nan 8.230 nan 0.000 0.480 77 D N 1.196 121.608 120.400 0.021 0.000 2.378 77 D HA 0.237 4.877 4.640 -0.000 0.000 0.238 77 D C -0.048 176.329 176.300 0.128 0.000 1.180 77 D CA 0.420 54.486 54.000 0.108 0.000 0.895 77 D CB 0.607 41.459 40.800 0.086 0.000 1.192 77 D HN 0.342 nan 8.370 nan 0.000 0.438 78 L N 2.234 123.558 121.223 0.168 0.000 2.439 78 L HA 0.203 4.543 4.340 -0.000 0.000 0.259 78 L C -1.107 175.802 176.870 0.065 0.000 1.129 78 L CA -1.566 53.342 54.840 0.114 0.000 0.803 78 L CB 0.581 42.710 42.059 0.115 0.000 1.161 78 L HN 0.236 nan 8.230 nan 0.000 0.462 79 P HA -0.087 nan 4.420 nan 0.000 0.215 79 P C 0.574 177.885 177.300 0.018 0.000 1.157 79 P CA 1.059 64.175 63.100 0.027 0.000 0.856 79 P CB 0.159 31.871 31.700 0.020 0.000 0.786 80 E N 0.036 120.239 120.200 0.005 0.000 2.485 80 E HA 0.274 4.624 4.350 -0.000 0.000 0.194 80 E C 0.707 177.291 176.600 -0.026 0.000 1.098 80 E CA -0.127 56.262 56.400 -0.018 0.000 0.878 80 E CB -0.681 28.992 29.700 -0.045 0.000 0.939 80 E HN 0.207 nan 8.360 nan 0.000 0.503 81 A N 1.132 123.952 122.820 -0.001 0.000 2.351 81 A HA 0.207 4.527 4.320 -0.000 0.000 0.257 81 A C -0.095 177.513 177.584 0.040 0.000 1.087 81 A CA -0.427 51.609 52.037 -0.001 0.000 0.798 81 A CB 0.490 19.518 19.000 0.046 0.000 1.033 81 A HN 0.061 nan 8.150 nan 0.000 0.488 82 D N 0.008 120.453 120.400 0.075 0.000 2.299 82 D HA 0.433 5.073 4.640 -0.000 0.000 0.243 82 D C -0.745 175.641 176.300 0.143 0.000 0.982 82 D CA -0.098 53.977 54.000 0.125 0.000 0.924 82 D CB 1.740 42.669 40.800 0.214 0.000 1.238 82 D HN 0.419 nan 8.370 nan 0.000 0.484 83 T N 0.874 115.499 114.554 0.118 0.000 2.799 83 T HA 0.473 4.823 4.350 -0.000 0.000 0.286 83 T C -0.124 174.644 174.700 0.114 0.000 0.973 83 T CA -0.389 61.788 62.100 0.128 0.000 1.035 83 T CB 1.053 69.978 68.868 0.096 0.000 0.932 83 T HN 0.059 nan 8.240 nan 0.000 0.469 84 V N 3.247 123.256 119.914 0.158 0.000 3.078 84 V HA 0.501 4.621 4.120 -0.000 0.000 0.311 84 V C -0.384 175.808 176.094 0.164 0.000 1.138 84 V CA -0.954 61.405 62.300 0.098 0.000 1.007 84 V CB 2.441 34.315 31.823 0.084 0.000 1.045 84 V HN 0.639 nan 8.190 nan 0.000 0.432 85 V N 2.385 122.363 119.914 0.107 0.000 2.509 85 V HA 0.523 4.643 4.120 -0.000 0.000 0.284 85 V C -0.204 175.941 176.094 0.085 0.000 1.047 85 V CA -0.379 61.994 62.300 0.122 0.000 0.952 85 V CB 1.553 33.423 31.823 0.077 0.000 0.988 85 V HN 0.562 nan 8.190 nan 0.000 0.469 86 V N 7.045 126.954 119.914 -0.008 0.000 2.540 86 V HA 0.518 4.638 4.120 -0.000 0.000 0.302 86 V C -2.245 173.758 176.094 -0.152 0.000 1.035 86 V CA -1.570 60.604 62.300 -0.210 0.000 0.873 86 V CB 2.658 34.025 31.823 -0.759 0.000 0.992 86 V HN 0.797 nan 8.190 nan 0.000 0.428 87 P HA 0.657 nan 4.420 nan 0.000 0.281 87 P C -0.991 176.266 177.300 -0.072 0.000 1.264 87 P CA -0.373 62.635 63.100 -0.154 0.000 0.824 87 P CB 1.848 33.458 31.700 -0.150 0.000 1.092 88 S N -0.558 115.123 115.700 -0.030 0.000 2.656 88 S HA 0.386 4.856 4.470 -0.000 0.000 0.265 88 S C -1.523 173.064 174.600 -0.021 0.000 1.110 88 S CA -0.995 57.186 58.200 -0.032 0.000 0.821 88 S CB 0.006 63.212 63.200 0.011 0.000 1.099 88 S HN 0.366 nan 8.310 nan 0.000 0.471 89 N N 0.980 119.589 118.700 -0.151 0.000 2.392 89 N HA 0.469 5.209 4.740 -0.000 0.000 0.283 89 N C 0.386 175.767 175.510 -0.215 0.000 1.003 89 N CA -0.734 52.192 53.050 -0.207 0.000 0.892 89 N CB 0.796 39.103 38.487 -0.300 0.000 1.193 89 N HN 0.827 nan 8.380 nan 0.000 0.487 90 W N 2.741 123.925 121.300 -0.194 0.000 2.392 90 W HA -0.060 4.600 4.660 -0.000 0.000 0.279 90 W C 0.863 177.369 176.519 -0.023 0.000 1.225 90 W CA 0.904 58.147 57.345 -0.170 0.000 1.233 90 W CB -0.369 28.905 29.460 -0.309 0.000 1.122 90 W HN 0.485 nan 8.180 nan 0.000 0.561 91 Q N 0.418 120.217 119.800 -0.003 0.000 2.291 91 Q HA -0.121 4.219 4.340 -0.000 0.000 0.206 91 Q C 1.981 177.958 176.000 -0.039 0.000 0.976 91 Q CA 1.519 57.343 55.803 0.035 0.000 0.875 91 Q CB -0.686 27.950 28.738 -0.171 0.000 0.927 91 Q HN 0.212 nan 8.270 nan 0.000 0.450 92 M N -0.779 118.718 119.600 -0.172 0.000 2.630 92 M HA -0.044 4.436 4.480 -0.000 0.000 0.254 92 M C 0.327 176.559 176.300 -0.113 0.000 1.092 92 M CA 1.231 56.395 55.300 -0.227 0.000 1.087 92 M CB -0.540 31.846 32.600 -0.357 0.000 1.453 92 M HN 0.329 nan 8.290 nan 0.000 0.509 93 H N -1.754 117.377 119.070 0.101 0.000 2.581 93 H HA 0.381 4.937 4.556 -0.000 0.000 0.275 93 H C 1.275 176.510 175.328 -0.155 0.000 1.126 93 H CA 0.100 56.180 56.048 0.054 0.000 1.097 93 H CB 0.539 30.464 29.762 0.271 0.000 1.626 93 H HN 0.465 nan 8.280 nan 0.000 0.565 94 G N 0.580 109.402 108.800 0.035 0.000 2.199 94 G HA2 -0.425 3.535 3.960 -0.000 0.000 0.254 94 G HA3 -0.425 3.535 3.960 -0.000 0.000 0.254 94 G C 0.632 175.433 174.900 -0.165 0.000 0.982 94 G CA 0.628 45.665 45.100 -0.105 0.000 0.632 94 G HN 0.470 nan 8.290 nan 0.000 0.529 95 Y N 1.998 122.320 120.300 0.036 0.000 2.151 95 Y HA 0.160 4.710 4.550 -0.000 0.000 0.284 95 Y C 1.761 177.451 175.900 -0.349 0.000 1.166 95 Y CA 1.750 59.736 58.100 -0.190 0.000 1.163 95 Y CB -0.189 38.156 38.460 -0.192 0.000 0.974 95 Y HN 0.681 nan 8.280 nan 0.000 0.511 96 D N -2.583 117.938 120.400 0.202 0.000 2.768 96 D HA 0.510 5.150 4.640 -0.000 0.000 0.327 96 D C -1.182 175.237 176.300 0.198 0.000 1.302 96 D CA -0.699 53.418 54.000 0.196 0.000 0.897 96 D CB 0.651 41.717 40.800 0.443 0.000 1.420 96 D HN 0.031 nan 8.370 nan 0.000 0.494 97 A N -0.295 122.642 122.820 0.196 0.000 2.327 97 A HA 0.685 5.005 4.320 -0.000 0.000 0.283 97 A C -2.401 175.231 177.584 0.081 0.000 1.127 97 A CA -1.058 51.072 52.037 0.154 0.000 0.810 97 A CB 0.015 19.151 19.000 0.227 0.000 1.066 97 A HN 0.479 nan 8.150 nan 0.000 0.492 98 P HA 0.569 nan 4.420 nan 0.000 0.286 98 P C -1.049 176.380 177.300 0.216 0.000 1.261 98 P CA -0.200 62.842 63.100 -0.097 0.000 0.821 98 P CB 0.968 32.346 31.700 -0.537 0.000 1.013 99 I N 2.377 123.169 120.570 0.369 0.000 2.474 99 I HA 0.321 4.491 4.170 -0.000 0.000 0.294 99 I C -0.444 175.890 176.117 0.361 0.000 1.005 99 I CA -0.810 60.722 61.300 0.387 0.000 1.113 99 I CB 1.473 39.622 38.000 0.247 0.000 1.289 99 I HN 0.273 nan 8.210 nan 0.000 0.436 100 Y N 5.385 125.677 120.300 -0.012 0.000 2.712 100 Y HA 0.583 5.133 4.550 -0.000 0.000 0.328 100 Y C -0.344 175.416 175.900 -0.234 0.000 0.995 100 Y CA -0.291 57.515 58.100 -0.490 0.000 1.283 100 Y CB 0.905 38.414 38.460 -1.584 0.000 1.092 100 Y HN 0.631 nan 8.280 nan 0.000 0.519 101 T N 4.173 118.207 114.554 -0.866 0.000 2.887 101 T HA 0.253 4.603 4.350 -0.000 0.000 0.288 101 T C 0.370 174.587 174.700 -0.805 0.000 1.021 101 T CA -0.541 61.094 62.100 -0.775 0.000 1.000 101 T CB 1.417 70.061 68.868 -0.373 0.000 1.034 101 T HN 0.869 nan 8.240 nan 0.000 0.467 102 N N 2.025 120.328 118.700 -0.661 0.000 2.324 102 N HA 0.021 4.761 4.740 -0.000 0.000 0.192 102 N C 1.359 176.618 175.510 -0.419 0.000 1.046 102 N CA 0.558 53.360 53.050 -0.414 0.000 0.898 102 N CB 0.261 38.528 38.487 -0.366 0.000 1.079 102 N HN 0.350 nan 8.380 nan 0.000 0.456 103 V N 0.395 119.987 119.914 -0.537 0.000 2.627 103 V HA 0.079 4.199 4.120 -0.000 0.000 0.239 103 V C 0.551 176.308 176.094 -0.560 0.000 1.077 103 V CA 0.661 62.541 62.300 -0.700 0.000 1.103 103 V CB -0.017 31.355 31.823 -0.752 0.000 0.802 103 V HN 0.276 nan 8.190 nan 0.000 0.482 104 T N 1.334 115.637 114.554 -0.418 0.000 2.867 104 T HA 0.130 4.480 4.350 -0.000 0.000 0.297 104 T C -0.409 174.139 174.700 -0.253 0.000 0.989 104 T CA 0.359 62.286 62.100 -0.287 0.000 1.159 104 T CB -0.334 68.407 68.868 -0.211 0.000 0.928 104 T HN 0.188 nan 8.240 nan 0.000 0.538 105 Y N 4.786 124.983 120.300 -0.170 0.000 2.610 105 Y HA 0.109 4.659 4.550 -0.000 0.000 0.332 105 Y C -0.999 174.770 175.900 -0.219 0.000 1.201 105 Y CA -1.861 56.126 58.100 -0.188 0.000 1.465 105 Y CB 0.400 38.750 38.460 -0.183 0.000 1.283 105 Y HN 0.560 nan 8.280 nan 0.000 0.563 106 P HA -0.125 nan 4.420 nan 0.000 0.218 106 P C 0.184 177.300 177.300 -0.307 0.000 1.149 106 P CA 1.346 64.334 63.100 -0.187 0.000 0.817 106 P CB 0.174 31.738 31.700 -0.226 0.000 0.785 107 I N -4.522 115.784 120.570 -0.441 0.000 3.205 107 I HA 0.445 4.615 4.170 -0.000 0.000 0.310 107 I C -0.446 175.534 176.117 -0.229 0.000 1.089 107 I CA -0.991 60.041 61.300 -0.448 0.000 1.023 107 I CB 1.280 38.840 38.000 -0.735 0.000 1.269 107 I HN -0.397 nan 8.210 nan 0.000 0.512 108 T N 2.349 116.811 114.554 -0.154 0.000 2.907 108 T HA 0.247 4.597 4.350 -0.000 0.000 0.298 108 T C 0.122 174.813 174.700 -0.016 0.000 1.017 108 T CA -0.413 61.655 62.100 -0.052 0.000 1.118 108 T CB 1.066 69.930 68.868 -0.006 0.000 0.948 108 T HN 0.392 nan 8.240 nan 0.000 0.531 109 V N 4.346 124.273 119.914 0.022 0.000 2.352 109 V HA 0.268 4.388 4.120 -0.000 0.000 0.253 109 V C 0.652 176.809 176.094 0.106 0.000 1.083 109 V CA -0.268 62.075 62.300 0.072 0.000 0.993 109 V CB -0.617 31.235 31.823 0.050 0.000 1.111 109 V HN 0.862 nan 8.190 nan 0.000 0.490 110 N N 5.316 124.140 118.700 0.207 0.000 2.679 110 N HA 0.244 4.984 4.740 -0.000 0.000 0.240 110 N C -2.974 172.621 175.510 0.142 0.000 1.537 110 N CA -1.185 51.973 53.050 0.180 0.000 0.793 110 N CB 1.463 40.106 38.487 0.261 0.000 1.391 110 N HN 0.284 nan 8.380 nan 0.000 0.524 111 P HA 0.189 nan 4.420 nan 0.000 0.266 111 P C -2.348 174.653 177.300 -0.498 0.000 1.195 111 P CA -0.738 61.917 63.100 -0.741 0.000 0.768 111 P CB 0.371 31.375 31.700 -1.159 0.000 0.838 112 P HA 0.262 nan 4.420 nan 0.000 0.248 112 P C -0.743 176.421 177.300 -0.227 0.000 1.708 112 P CA -0.276 62.575 63.100 -0.415 0.000 1.062 112 P CB -0.285 31.184 31.700 -0.386 0.000 1.562 113 F N -0.365 119.719 119.950 0.225 0.000 2.404 113 F HA 0.292 4.819 4.527 -0.000 0.000 0.345 113 F C 1.054 177.031 175.800 0.294 0.000 1.110 113 F CA -1.172 56.966 58.000 0.229 0.000 1.130 113 F CB 1.300 40.377 39.000 0.128 0.000 1.129 113 F HN -0.291 nan 8.300 nan 0.000 0.500 114 V N 4.205 124.417 119.914 0.496 0.000 2.863 114 V HA 0.345 4.465 4.120 -0.000 0.000 0.307 114 V C -1.857 174.423 176.094 0.310 0.000 1.061 114 V CA -1.797 60.720 62.300 0.361 0.000 1.024 114 V CB 1.519 33.652 31.823 0.516 0.000 1.049 114 V HN 0.542 nan 8.190 nan 0.000 0.471 115 P HA 0.096 nan 4.420 nan 0.000 0.274 115 P C 0.802 178.256 177.300 0.257 0.000 1.231 115 P CA 0.049 63.258 63.100 0.181 0.000 0.790 115 P CB 0.604 32.369 31.700 0.109 0.000 0.951 116 T N -0.260 114.410 114.554 0.192 0.000 2.759 116 T HA -0.168 4.182 4.350 -0.000 0.000 0.269 116 T C 0.314 175.128 174.700 0.190 0.000 1.042 116 T CA 1.259 63.472 62.100 0.188 0.000 1.140 116 T CB -0.638 68.306 68.868 0.126 0.000 0.864 116 T HN 0.398 nan 8.240 nan 0.000 0.455 117 E N 2.820 123.136 120.200 0.194 0.000 1.963 117 E HA 0.428 4.778 4.350 -0.000 0.000 0.274 117 E C -0.671 176.084 176.600 0.259 0.000 1.061 117 E CA -0.314 56.202 56.400 0.192 0.000 0.847 117 E CB 0.441 30.260 29.700 0.197 0.000 1.083 117 E HN 0.442 nan 8.360 nan 0.000 0.402 118 N N 3.347 122.154 118.700 0.177 0.000 2.540 118 N HA 0.295 5.035 4.740 -0.000 0.000 0.275 118 N C -2.818 172.667 175.510 -0.043 0.000 1.053 118 N CA -2.682 50.473 53.050 0.174 0.000 0.876 118 N CB 1.205 39.853 38.487 0.268 0.000 1.284 118 N HN -0.028 nan 8.380 nan 0.000 0.518 119 P HA -0.009 nan 4.420 nan 0.000 0.253 119 P C -0.721 176.457 177.300 -0.203 0.000 1.170 119 P CA 0.586 63.583 63.100 -0.172 0.000 0.806 119 P CB -0.041 31.843 31.700 0.306 0.000 0.775 120 T N 2.761 116.992 114.554 -0.538 0.000 2.829 120 T HA 0.581 4.931 4.350 -0.000 0.000 0.282 120 T C 0.598 174.883 174.700 -0.691 0.000 0.990 120 T CA -0.469 61.376 62.100 -0.426 0.000 1.028 120 T CB 1.528 70.153 68.868 -0.405 0.000 0.951 120 T HN 0.301 nan 8.240 nan 0.000 0.460 121 G N 0.974 109.514 108.800 -0.433 0.000 2.605 121 G HA2 0.487 4.447 3.960 -0.000 0.000 0.304 121 G HA3 0.487 4.447 3.960 -0.000 0.000 0.304 121 G C -0.380 174.460 174.900 -0.100 0.000 1.333 121 G CA -0.487 44.356 45.100 -0.429 0.000 0.973 121 G HN 0.904 nan 8.290 nan 0.000 0.507 122 C N 3.074 122.029 119.300 -0.575 0.000 2.246 122 C HA 0.513 4.973 4.460 -0.000 0.000 0.329 122 C C -0.576 174.360 174.990 -0.089 0.000 1.221 122 C CA -1.140 57.528 59.018 -0.584 0.000 1.697 122 C CB -1.699 25.033 27.740 -1.680 0.000 2.312 122 C HN 0.595 nan 8.230 nan 0.000 0.509 123 Y N 1.698 122.211 120.300 0.356 0.000 2.387 123 Y HA 0.628 5.178 4.550 -0.000 0.000 0.336 123 Y C 0.726 177.099 175.900 0.789 0.000 1.067 123 Y CA -0.514 57.953 58.100 0.613 0.000 1.114 123 Y CB 1.381 40.197 38.460 0.594 0.000 1.208 123 Y HN 0.701 nan 8.280 nan 0.000 0.458 124 S N 3.078 119.274 115.700 0.825 0.000 2.546 124 S HA 0.832 5.302 4.470 -0.000 0.000 0.274 124 S C -1.557 173.125 174.600 0.136 0.000 1.121 124 S CA -0.884 57.604 58.200 0.481 0.000 0.887 124 S CB 2.342 65.781 63.200 0.398 0.000 1.094 124 S HN 0.672 nan 8.310 nan 0.000 0.474 125 L N 0.826 121.981 121.223 -0.113 0.000 2.565 125 L HA 0.663 5.003 4.340 -0.000 0.000 0.261 125 L C -1.537 175.302 176.870 -0.052 0.000 0.932 125 L CA 0.004 54.603 54.840 -0.401 0.000 0.878 125 L CB 2.192 43.399 42.059 -1.421 0.000 1.333 125 L HN 0.770 nan 8.230 nan 0.000 0.409 126 T N 5.299 119.840 114.554 -0.021 0.000 2.771 126 T HA 0.780 5.130 4.350 -0.000 0.000 0.281 126 T C -0.885 173.908 174.700 0.154 0.000 0.982 126 T CA -0.080 62.054 62.100 0.058 0.000 0.978 126 T CB 0.618 69.466 68.868 -0.034 0.000 0.930 126 T HN 0.488 nan 8.240 nan 0.000 0.447 127 F N 0.679 120.548 119.950 -0.135 0.000 2.741 127 F HA 0.693 5.220 4.527 -0.000 0.000 0.313 127 F C -1.043 174.699 175.800 -0.096 0.000 1.153 127 F CA -1.509 56.418 58.000 -0.122 0.000 0.931 127 F CB 1.260 40.177 39.000 -0.139 0.000 1.335 127 F HN 0.272 nan 8.300 nan 0.000 0.460 128 N N -0.128 118.523 118.700 -0.081 0.000 2.456 128 N HA 0.750 5.490 4.740 -0.000 0.000 0.296 128 N C -1.739 173.720 175.510 -0.085 0.000 1.102 128 N CA -0.620 52.339 53.050 -0.152 0.000 0.924 128 N CB 2.213 40.639 38.487 -0.101 0.000 1.186 128 N HN 0.591 nan 8.380 nan 0.000 0.492 129 V N 0.960 120.781 119.914 -0.155 0.000 2.577 129 V HA 0.260 4.380 4.120 -0.000 0.000 0.303 129 V C -0.585 175.382 176.094 -0.211 0.000 1.042 129 V CA -1.031 61.170 62.300 -0.166 0.000 0.872 129 V CB 1.541 33.322 31.823 -0.070 0.000 0.998 129 V HN 0.671 nan 8.190 nan 0.000 0.423 130 D N 3.405 123.580 120.400 -0.376 0.000 2.455 130 D HA -0.012 4.628 4.640 -0.000 0.000 0.241 130 D C 1.274 177.491 176.300 -0.139 0.000 1.138 130 D CA 0.181 54.010 54.000 -0.285 0.000 0.877 130 D CB 1.301 41.881 40.800 -0.366 0.000 1.187 130 D HN 0.820 nan 8.370 nan 0.000 0.451 131 E N 2.592 122.758 120.200 -0.057 0.000 2.274 131 E HA -0.204 4.146 4.350 -0.000 0.000 0.194 131 E C 1.399 178.039 176.600 0.066 0.000 0.996 131 E CA 0.916 57.325 56.400 0.014 0.000 0.840 131 E CB -0.172 29.532 29.700 0.008 0.000 0.772 131 E HN 0.435 nan 8.360 nan 0.000 0.491 132 S N 0.337 116.071 115.700 0.055 0.000 2.380 132 S HA -0.205 4.265 4.470 -0.000 0.000 0.229 132 S C 1.557 176.261 174.600 0.172 0.000 1.043 132 S CA 1.491 59.756 58.200 0.109 0.000 1.038 132 S CB -0.746 62.525 63.200 0.118 0.000 0.872 132 S HN 0.539 nan 8.310 nan 0.000 0.456 133 W N 1.214 122.382 121.300 -0.220 0.000 2.402 133 W HA 0.240 4.900 4.660 -0.000 0.000 0.286 133 W C 2.275 178.751 176.519 -0.072 0.000 1.221 133 W CA 0.135 57.222 57.345 -0.431 0.000 1.257 133 W CB -0.963 28.268 29.460 -0.382 0.000 1.120 133 W HN 0.327 nan 8.180 nan 0.000 0.551 134 L N -0.274 121.090 121.223 0.235 0.000 2.291 134 L HA -0.188 4.152 4.340 -0.000 0.000 0.214 134 L C 2.247 179.198 176.870 0.135 0.000 1.120 134 L CA 0.989 55.935 54.840 0.176 0.000 0.799 134 L CB -0.358 41.771 42.059 0.116 0.000 0.925 134 L HN 0.027 nan 8.230 nan 0.000 0.446 135 Q N -0.324 119.549 119.800 0.122 0.000 1.864 135 Q HA -0.098 4.242 4.340 -0.000 0.000 0.219 135 Q C 0.898 176.960 176.000 0.103 0.000 0.975 135 Q CA 0.964 56.824 55.803 0.094 0.000 0.862 135 Q CB -0.115 28.670 28.738 0.078 0.000 0.913 135 Q HN 0.230 nan 8.270 nan 0.000 0.431 136 E N 0.675 120.947 120.200 0.120 0.000 2.292 136 E HA 0.398 4.748 4.350 -0.000 0.000 0.258 136 E C 0.489 177.188 176.600 0.164 0.000 1.115 136 E CA 0.136 56.603 56.400 0.111 0.000 0.929 136 E CB 0.475 30.226 29.700 0.084 0.000 1.161 136 E HN 0.411 nan 8.360 nan 0.000 0.453 137 G N 0.596 109.418 108.800 0.036 0.000 2.645 137 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.239 137 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.239 137 G C -0.830 173.974 174.900 -0.160 0.000 1.331 137 G CA 0.242 45.250 45.100 -0.153 0.000 0.890 137 G HN 0.844 nan 8.290 nan 0.000 0.572 138 Q N -0.572 118.974 119.800 -0.425 0.000 2.347 138 Q HA 0.644 4.984 4.340 -0.000 0.000 0.271 138 Q C -1.323 174.533 176.000 -0.241 0.000 1.064 138 Q CA -0.453 55.214 55.803 -0.227 0.000 0.800 138 Q CB 1.980 30.636 28.738 -0.136 0.000 1.304 138 Q HN 0.651 nan 8.270 nan 0.000 0.438 139 T N 4.732 119.297 114.554 0.018 0.000 2.815 139 T HA 0.517 4.867 4.350 -0.000 0.000 0.289 139 T C -0.749 174.030 174.700 0.133 0.000 1.000 139 T CA -0.643 61.526 62.100 0.115 0.000 0.958 139 T CB 0.679 69.746 68.868 0.331 0.000 0.944 139 T HN 0.640 nan 8.240 nan 0.000 0.442 140 R N 3.320 123.877 120.500 0.096 0.000 2.854 140 R HA 0.740 5.080 4.340 -0.000 0.000 0.271 140 R C -1.257 175.108 176.300 0.109 0.000 0.994 140 R CA -0.974 55.197 56.100 0.118 0.000 0.945 140 R CB 1.672 32.028 30.300 0.092 0.000 1.194 140 R HN 0.519 nan 8.270 nan 0.000 0.476 141 I N 2.651 123.290 120.570 0.114 0.000 2.525 141 I HA 0.478 4.648 4.170 -0.000 0.000 0.301 141 I C -1.077 175.037 176.117 -0.006 0.000 0.992 141 I CA -1.466 59.844 61.300 0.018 0.000 1.162 141 I CB 1.601 39.600 38.000 -0.002 0.000 1.332 141 I HN 0.661 nan 8.210 nan 0.000 0.458 142 I N 6.454 126.897 120.570 -0.211 0.000 2.512 142 I HA 0.263 4.433 4.170 -0.000 0.000 0.287 142 I C -1.360 174.491 176.117 -0.443 0.000 1.069 142 I CA -0.403 60.782 61.300 -0.192 0.000 1.056 142 I CB 1.865 39.807 38.000 -0.097 0.000 1.229 142 I HN 0.329 nan 8.210 nan 0.000 0.429 143 F N 4.333 124.281 119.950 -0.003 0.000 2.334 143 F HA 0.276 4.803 4.527 -0.000 0.000 0.367 143 F C 1.325 177.021 175.800 -0.173 0.000 1.115 143 F CA -0.431 57.496 58.000 -0.122 0.000 1.116 143 F CB 0.736 39.641 39.000 -0.159 0.000 1.230 143 F HN 0.469 nan 8.300 nan 0.000 0.484 144 D N 2.361 122.703 120.400 -0.097 0.000 2.310 144 D HA 0.056 4.696 4.640 -0.000 0.000 0.212 144 D C 0.951 177.097 176.300 -0.258 0.000 0.965 144 D CA 0.905 54.799 54.000 -0.175 0.000 0.879 144 D CB 0.367 41.025 40.800 -0.236 0.000 0.921 144 D HN 0.663 nan 8.370 nan 0.000 0.510 145 G N -0.704 107.871 108.800 -0.376 0.000 2.617 145 G HA2 0.408 4.368 3.960 -0.000 0.000 0.305 145 G HA3 0.408 4.368 3.960 -0.000 0.000 0.305 145 G C -1.588 172.849 174.900 -0.771 0.000 1.436 145 G CA -0.526 44.180 45.100 -0.657 0.000 1.036 145 G HN -0.060 nan 8.290 nan 0.000 0.589 146 V N 2.428 122.124 119.914 -0.362 0.000 2.567 146 V HA 0.541 4.661 4.120 -0.000 0.000 0.298 146 V C -0.803 175.341 176.094 0.084 0.000 1.047 146 V CA -1.167 60.992 62.300 -0.236 0.000 0.880 146 V CB 1.837 33.260 31.823 -0.667 0.000 1.009 146 V HN 0.782 nan 8.190 nan 0.000 0.429 147 N N 2.559 121.371 118.700 0.188 0.000 2.392 147 N HA 0.378 5.118 4.740 -0.000 0.000 0.283 147 N C 0.709 176.178 175.510 -0.068 0.000 1.003 147 N CA 0.171 53.263 53.050 0.070 0.000 0.892 147 N CB 2.406 40.856 38.487 -0.062 0.000 1.193 147 N HN 0.632 nan 8.380 nan 0.000 0.487 148 S N 2.243 117.926 115.700 -0.028 0.000 2.514 148 S HA 0.509 4.979 4.470 -0.000 0.000 0.223 148 S C 0.485 175.149 174.600 0.107 0.000 1.046 148 S CA 0.281 58.515 58.200 0.057 0.000 0.914 148 S CB 0.162 63.414 63.200 0.087 0.000 0.807 148 S HN 0.706 nan 8.310 nan 0.000 0.497 149 A N 0.717 123.611 122.820 0.124 0.000 2.566 149 A HA 0.849 5.169 4.320 -0.000 0.000 0.292 149 A C -1.168 176.560 177.584 0.240 0.000 1.112 149 A CA -0.968 51.133 52.037 0.107 0.000 0.707 149 A CB 1.079 20.162 19.000 0.138 0.000 1.302 149 A HN 1.218 nan 8.150 nan 0.000 0.409 150 F N -0.983 118.833 119.950 -0.223 0.000 2.746 150 F HA 0.625 5.152 4.527 -0.000 0.000 0.311 150 F C -1.463 174.324 175.800 -0.022 0.000 1.135 150 F CA -0.812 57.149 58.000 -0.065 0.000 0.954 150 F CB 0.874 39.811 39.000 -0.105 0.000 1.276 150 F HN 0.654 nan 8.300 nan 0.000 0.440 151 H N 1.945 121.190 119.070 0.291 0.000 2.533 151 H HA 0.821 5.377 4.556 -0.000 0.000 0.343 151 H C -1.350 174.060 175.328 0.135 0.000 1.160 151 H CA -0.677 55.488 56.048 0.196 0.000 1.218 151 H CB 2.325 32.273 29.762 0.309 0.000 1.566 151 H HN 0.859 nan 8.280 nan 0.000 0.522 152 L N 1.903 123.032 121.223 -0.157 0.000 2.455 152 L HA 0.409 4.749 4.340 -0.000 0.000 0.264 152 L C -1.871 174.715 176.870 -0.474 0.000 0.968 152 L CA -0.508 54.248 54.840 -0.141 0.000 0.827 152 L CB 1.872 43.790 42.059 -0.235 0.000 1.317 152 L HN 0.502 nan 8.230 nan 0.000 0.407 153 W N 4.029 125.301 121.300 -0.047 0.000 2.864 153 W HA 0.649 5.309 4.660 -0.000 0.000 0.343 153 W C -1.164 175.287 176.519 -0.114 0.000 1.109 153 W CA -0.826 56.460 57.345 -0.097 0.000 1.192 153 W CB 2.114 31.547 29.460 -0.045 0.000 1.426 153 W HN 0.689 nan 8.180 nan 0.000 0.529 154 C N 4.739 124.121 119.300 0.137 0.000 2.446 154 C HA 0.294 4.754 4.460 -0.000 0.000 0.329 154 C C 0.013 175.112 174.990 0.181 0.000 1.166 154 C CA -0.429 58.645 59.018 0.093 0.000 1.341 154 C CB -0.615 27.093 27.740 -0.052 0.000 1.970 154 C HN 0.795 nan 8.230 nan 0.000 0.452 155 N N 3.868 122.639 118.700 0.118 0.000 2.725 155 N HA -0.183 4.557 4.740 -0.000 0.000 0.251 155 N C 1.009 176.581 175.510 0.103 0.000 1.031 155 N CA 2.013 55.109 53.050 0.078 0.000 0.720 155 N CB -1.289 37.244 38.487 0.077 0.000 0.930 155 N HN 1.895 nan 8.380 nan 0.000 0.543 156 G N -1.205 107.641 108.800 0.077 0.000 2.234 156 G HA2 -0.386 3.574 3.960 -0.000 0.000 0.260 156 G HA3 -0.386 3.574 3.960 -0.000 0.000 0.260 156 G C 0.232 175.309 174.900 0.296 0.000 0.987 156 G CA 0.664 45.803 45.100 0.065 0.000 0.625 156 G HN 0.576 nan 8.290 nan 0.000 0.532 157 R N -0.730 120.012 120.500 0.402 0.000 2.297 157 R HA 0.432 4.772 4.340 -0.000 0.000 0.308 157 R C -0.051 176.570 176.300 0.534 0.000 1.029 157 R CA -0.873 55.542 56.100 0.525 0.000 0.929 157 R CB 0.608 31.235 30.300 0.545 0.000 1.046 157 R HN 0.260 nan 8.270 nan 0.000 0.461 158 W N 4.102 125.550 121.300 0.247 0.000 2.251 158 W HA 0.069 4.729 4.660 -0.000 0.000 0.327 158 W C -0.067 176.287 176.519 -0.276 0.000 1.361 158 W CA 0.055 57.121 57.345 -0.466 0.000 1.234 158 W CB 0.626 29.838 29.460 -0.413 0.000 1.212 158 W HN 0.349 nan 8.180 nan 0.000 0.557 159 V N 4.954 123.940 119.914 -1.546 0.000 2.840 159 V HA 0.585 4.705 4.120 -0.000 0.000 0.234 159 V C 0.971 176.014 176.094 -1.750 0.000 1.159 159 V CA 0.848 62.339 62.300 -1.349 0.000 1.194 159 V CB -0.333 30.790 31.823 -1.167 0.000 0.971 159 V HN 0.788 nan 8.190 nan 0.000 0.494 160 G N -1.699 105.904 108.800 -1.994 0.000 2.489 160 G HA2 0.507 4.467 3.960 -0.000 0.000 0.305 160 G HA3 0.507 4.467 3.960 -0.000 0.000 0.305 160 G C -2.454 172.173 174.900 -0.454 0.000 1.311 160 G CA -0.262 44.120 45.100 -1.196 0.000 0.813 160 G HN 0.034 nan 8.290 nan 0.000 0.480 161 Y N -0.686 119.499 120.300 -0.191 0.000 2.588 161 Y HA 0.725 5.275 4.550 -0.000 0.000 0.343 161 Y C -0.076 175.663 175.900 -0.268 0.000 1.065 161 Y CA -0.087 57.810 58.100 -0.339 0.000 1.038 161 Y CB 2.260 40.635 38.460 -0.142 0.000 1.297 161 Y HN 1.260 nan 8.280 nan 0.000 0.467 162 G N 3.086 111.107 108.800 -1.298 0.000 2.720 162 G HA2 0.575 4.535 3.960 -0.000 0.000 0.295 162 G HA3 0.575 4.535 3.960 -0.000 0.000 0.295 162 G C -2.229 172.215 174.900 -0.760 0.000 1.437 162 G CA -0.938 43.677 45.100 -0.807 0.000 0.886 162 G HN 0.620 nan 8.290 nan 0.000 0.509 163 Q N -0.216 119.386 119.800 -0.329 0.000 2.587 163 Q HA 0.613 4.953 4.340 -0.000 0.000 0.293 163 Q C -1.400 174.596 176.000 -0.007 0.000 1.083 163 Q CA -0.892 54.832 55.803 -0.131 0.000 0.792 163 Q CB 2.796 31.502 28.738 -0.053 0.000 1.484 163 Q HN 0.670 nan 8.270 nan 0.000 0.446 164 D N -0.122 120.312 120.400 0.057 0.000 4.370 164 D HA -0.101 4.539 4.640 -0.000 0.000 0.238 164 D C -0.328 176.031 176.300 0.099 0.000 1.104 164 D CA 0.668 54.718 54.000 0.084 0.000 1.101 164 D CB -0.683 40.154 40.800 0.062 0.000 0.749 164 D HN 0.568 nan 8.370 nan 0.000 0.351 165 S N 3.457 119.233 115.700 0.127 0.000 2.469 165 S HA -0.136 4.334 4.470 -0.000 0.000 0.238 165 S C 1.635 176.353 174.600 0.196 0.000 0.998 165 S CA 0.693 58.996 58.200 0.172 0.000 0.957 165 S CB 0.157 63.458 63.200 0.169 0.000 0.764 165 S HN 0.560 nan 8.310 nan 0.000 0.514 166 R N 0.027 120.613 120.500 0.143 0.000 2.334 166 R HA 0.406 4.746 4.340 -0.000 0.000 0.212 166 R C 0.044 176.399 176.300 0.092 0.000 0.897 166 R CA 0.095 56.279 56.100 0.139 0.000 1.056 166 R CB -0.067 30.335 30.300 0.171 0.000 1.046 166 R HN 0.368 nan 8.270 nan 0.000 0.513 167 L N 1.339 122.595 121.223 0.055 0.000 2.303 167 L HA 0.479 4.819 4.340 -0.000 0.000 0.266 167 L C -2.295 174.562 176.870 -0.022 0.000 1.011 167 L CA -2.413 52.433 54.840 0.009 0.000 0.818 167 L CB 1.838 43.895 42.059 -0.003 0.000 1.326 167 L HN -0.239 nan 8.230 nan 0.000 0.435 168 P HA 0.117 nan 4.420 nan 0.000 0.269 168 P C -1.118 176.167 177.300 -0.025 0.000 1.209 168 P CA -0.178 62.891 63.100 -0.052 0.000 0.776 168 P CB 0.873 32.505 31.700 -0.113 0.000 0.876 169 S N 1.418 117.161 115.700 0.072 0.000 2.502 169 S HA 0.384 4.854 4.470 -0.000 0.000 0.304 169 S C -0.637 173.986 174.600 0.039 0.000 1.097 169 S CA -0.626 57.606 58.200 0.053 0.000 1.045 169 S CB 1.047 64.400 63.200 0.255 0.000 1.019 169 S HN 0.348 nan 8.310 nan 0.000 0.481 170 E N 1.911 121.931 120.200 -0.300 0.000 2.266 170 E HA 0.648 4.998 4.350 -0.000 0.000 0.268 170 E C -1.515 174.772 176.600 -0.520 0.000 0.879 170 E CA -0.669 55.616 56.400 -0.192 0.000 0.762 170 E CB 1.691 31.375 29.700 -0.027 0.000 1.199 170 E HN 0.413 nan 8.360 nan 0.000 0.422 171 F N 0.063 120.065 119.950 0.086 0.000 2.588 171 F HA 0.265 4.792 4.527 -0.000 0.000 0.310 171 F C -0.208 175.616 175.800 0.039 0.000 1.082 171 F CA -1.303 56.721 58.000 0.041 0.000 0.929 171 F CB 1.196 40.188 39.000 -0.014 0.000 1.254 171 F HN 0.248 nan 8.300 nan 0.000 0.455 172 D N 2.175 122.729 120.400 0.258 0.000 2.336 172 D HA 0.238 4.878 4.640 -0.000 0.000 0.249 172 D C 0.519 176.950 176.300 0.218 0.000 1.213 172 D CA 0.347 54.464 54.000 0.194 0.000 0.870 172 D CB 0.965 41.865 40.800 0.166 0.000 1.076 172 D HN 0.594 nan 8.370 nan 0.000 0.483 173 L N 2.532 123.881 121.223 0.211 0.000 2.477 173 L HA -0.052 4.288 4.340 -0.000 0.000 0.220 173 L C 2.208 179.318 176.870 0.400 0.000 1.106 173 L CA -0.046 54.941 54.840 0.246 0.000 0.851 173 L CB -0.076 42.103 42.059 0.200 0.000 0.994 173 L HN 0.340 nan 8.230 nan 0.000 0.462 174 S N 1.126 116.998 115.700 0.287 0.000 2.461 174 S HA -0.365 4.105 4.470 -0.000 0.000 0.266 174 S C 1.789 176.514 174.600 0.208 0.000 1.138 174 S CA 2.126 60.461 58.200 0.224 0.000 1.146 174 S CB -0.315 62.974 63.200 0.148 0.000 1.042 174 S HN 0.588 nan 8.310 nan 0.000 0.448 175 A N -1.002 121.950 122.820 0.220 0.000 2.278 175 A HA 0.419 4.739 4.320 -0.000 0.000 0.212 175 A C 0.958 178.442 177.584 -0.166 0.000 1.213 175 A CA 0.145 52.159 52.037 -0.038 0.000 0.840 175 A CB -0.268 18.568 19.000 -0.275 0.000 0.866 175 A HN 0.484 nan 8.150 nan 0.000 0.489 176 F N -1.058 118.931 119.950 0.065 0.000 2.767 176 F HA 0.374 4.901 4.527 -0.000 0.000 0.323 176 F C 0.467 176.299 175.800 0.053 0.000 1.091 176 F CA -0.679 57.356 58.000 0.058 0.000 1.192 176 F CB -0.034 39.004 39.000 0.063 0.000 1.056 176 F HN -0.063 nan 8.300 nan 0.000 0.571 177 L N 1.822 123.212 121.223 0.277 0.000 2.417 177 L HA 0.422 4.762 4.340 -0.000 0.000 0.268 177 L C 0.260 177.182 176.870 0.088 0.000 1.158 177 L CA -0.205 54.735 54.840 0.167 0.000 0.819 177 L CB 0.788 42.964 42.059 0.196 0.000 1.112 177 L HN 0.020 nan 8.230 nan 0.000 0.458 178 R N 1.260 121.773 120.500 0.023 0.000 2.854 178 R HA 0.685 5.025 4.340 -0.000 0.000 0.271 178 R C -0.686 175.592 176.300 -0.036 0.000 0.996 178 R CA -0.943 55.152 56.100 -0.009 0.000 0.961 178 R CB 1.840 32.120 30.300 -0.035 0.000 1.182 178 R HN 0.700 nan 8.270 nan 0.000 0.479 179 A N 0.905 123.707 122.820 -0.030 0.000 2.407 179 A HA 0.547 4.867 4.320 -0.000 0.000 0.248 179 A C 0.943 178.477 177.584 -0.084 0.000 1.082 179 A CA 0.840 52.848 52.037 -0.047 0.000 0.785 179 A CB -0.118 18.864 19.000 -0.030 0.000 1.020 179 A HN 0.897 nan 8.150 nan 0.000 0.489 180 G N 0.809 109.545 108.800 -0.106 0.000 2.536 180 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.277 180 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.277 180 G C 0.137 174.916 174.900 -0.202 0.000 1.155 180 G CA 0.362 45.385 45.100 -0.129 0.000 0.960 180 G HN 1.005 nan 8.290 nan 0.000 0.544 181 E N 2.408 122.495 120.200 -0.189 0.000 2.265 181 E HA 0.266 4.616 4.350 -0.000 0.000 0.272 181 E C -0.063 176.336 176.600 -0.335 0.000 1.067 181 E CA -0.029 56.221 56.400 -0.249 0.000 0.900 181 E CB 0.009 29.611 29.700 -0.164 0.000 1.017 181 E HN 0.387 nan 8.360 nan 0.000 0.431 182 N N 3.084 121.413 118.700 -0.619 0.000 2.328 182 N HA 0.415 5.155 4.740 -0.000 0.000 0.299 182 N C -0.759 174.430 175.510 -0.535 0.000 1.179 182 N CA -0.671 51.986 53.050 -0.655 0.000 0.793 182 N CB 2.207 40.152 38.487 -0.903 0.000 1.366 182 N HN 0.287 nan 8.380 nan 0.000 0.493 183 R N 1.613 121.998 120.500 -0.191 0.000 2.538 183 R HA 0.422 4.762 4.340 -0.000 0.000 0.292 183 R C -1.317 175.055 176.300 0.119 0.000 1.008 183 R CA -0.477 55.624 56.100 0.000 0.000 0.896 183 R CB 1.065 31.327 30.300 -0.064 0.000 1.187 183 R HN 0.509 nan 8.270 nan 0.000 0.440 184 L N 2.941 124.298 121.223 0.222 0.000 2.325 184 L HA 0.726 5.066 4.340 -0.000 0.000 0.279 184 L C -0.074 176.885 176.870 0.148 0.000 1.054 184 L CA -0.916 54.048 54.840 0.207 0.000 0.804 184 L CB 1.812 44.020 42.059 0.247 0.000 1.200 184 L HN 0.664 nan 8.230 nan 0.000 0.436 185 A N 3.228 126.140 122.820 0.153 0.000 2.375 185 A HA 0.688 5.008 4.320 -0.000 0.000 0.291 185 A C -0.869 177.027 177.584 0.519 0.000 1.160 185 A CA -0.441 51.627 52.037 0.053 0.000 0.747 185 A CB 1.334 19.758 19.000 -0.961 0.000 1.170 185 A HN 0.390 nan 8.150 nan 0.000 0.458 186 V N 3.432 123.820 119.914 0.789 0.000 2.357 186 V HA 0.485 4.605 4.120 -0.000 0.000 0.284 186 V C 0.113 176.708 176.094 0.835 0.000 1.018 186 V CA -0.313 62.432 62.300 0.741 0.000 0.841 186 V CB 1.345 33.426 31.823 0.430 0.000 0.991 186 V HN 0.948 nan 8.190 nan 0.000 0.437 187 M N 6.119 126.212 119.600 0.821 0.000 2.088 187 M HA 0.600 5.080 4.480 -0.000 0.000 0.346 187 M C -1.436 175.119 176.300 0.424 0.000 1.111 187 M CA -0.331 55.286 55.300 0.529 0.000 1.017 187 M CB 1.287 34.240 32.600 0.588 0.000 1.568 187 M HN 0.476 nan 8.290 nan 0.000 0.445 188 V N 6.737 126.841 119.914 0.317 0.000 2.435 188 V HA 0.502 4.622 4.120 -0.000 0.000 0.290 188 V C -0.207 176.038 176.094 0.251 0.000 1.030 188 V CA -0.774 61.704 62.300 0.298 0.000 0.881 188 V CB 1.568 33.589 31.823 0.330 0.000 0.983 188 V HN 0.816 nan 8.190 nan 0.000 0.445 189 L N 3.092 124.407 121.223 0.153 0.000 2.334 189 L HA 0.664 5.004 4.340 -0.000 0.000 0.276 189 L C 1.194 178.027 176.870 -0.062 0.000 1.014 189 L CA -0.782 54.077 54.840 0.031 0.000 0.815 189 L CB 1.568 43.542 42.059 -0.141 0.000 1.268 189 L HN 0.468 nan 8.230 nan 0.000 0.428 190 R N 1.605 121.966 120.500 -0.230 0.000 2.075 190 R HA -0.007 4.333 4.340 -0.000 0.000 0.230 190 R C -0.279 175.637 176.300 -0.640 0.000 1.140 190 R CA 1.754 57.422 56.100 -0.720 0.000 0.928 190 R CB 0.064 29.590 30.300 -1.290 0.000 0.834 190 R HN 0.627 nan 8.270 nan 0.000 0.429 191 W N 0.291 121.646 121.300 0.091 0.000 2.449 191 W HA 0.320 4.980 4.660 -0.000 0.000 0.331 191 W C 0.060 176.689 176.519 0.182 0.000 1.119 191 W CA -0.788 56.621 57.345 0.106 0.000 1.240 191 W CB 1.313 30.837 29.460 0.108 0.000 1.251 191 W HN 0.084 nan 8.180 nan 0.000 0.576 192 S N -1.012 114.972 115.700 0.474 0.000 2.643 192 S HA 0.204 4.674 4.470 -0.000 0.000 0.270 192 S C 0.062 174.913 174.600 0.420 0.000 1.166 192 S CA -0.511 57.975 58.200 0.477 0.000 0.815 192 S CB 1.232 64.671 63.200 0.398 0.000 1.139 192 S HN 0.614 nan 8.310 nan 0.000 0.472 193 D N 0.564 121.212 120.400 0.414 0.000 2.218 193 D HA 0.063 4.703 4.640 -0.000 0.000 0.204 193 D C 1.839 178.433 176.300 0.490 0.000 0.976 193 D CA 1.194 55.471 54.000 0.461 0.000 0.853 193 D CB -0.797 40.162 40.800 0.265 0.000 0.939 193 D HN 0.712 nan 8.370 nan 0.000 0.481 194 G N 0.099 109.111 108.800 0.352 0.000 2.462 194 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.220 194 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.220 194 G C 1.742 176.817 174.900 0.293 0.000 1.121 194 G CA 0.873 46.153 45.100 0.300 0.000 0.758 194 G HN 0.316 nan 8.290 nan 0.000 0.559 195 S N -0.108 115.755 115.700 0.273 0.000 2.383 195 S HA -0.119 4.351 4.470 -0.000 0.000 0.229 195 S C 1.955 176.654 174.600 0.166 0.000 1.030 195 S CA 0.938 59.263 58.200 0.209 0.000 1.002 195 S CB -0.424 62.898 63.200 0.203 0.000 0.829 195 S HN 0.562 nan 8.310 nan 0.000 0.467 196 Y N 1.132 121.528 120.300 0.159 0.000 2.483 196 Y HA 0.026 4.576 4.550 -0.000 0.000 0.291 196 Y C 1.537 177.534 175.900 0.162 0.000 1.143 196 Y CA 0.619 58.739 58.100 0.032 0.000 1.289 196 Y CB -0.218 38.154 38.460 -0.145 0.000 0.983 196 Y HN 0.196 nan 8.280 nan 0.000 0.556 197 L N -0.011 121.403 121.223 0.318 0.000 2.700 197 L HA 0.121 4.461 4.340 -0.000 0.000 0.234 197 L C -0.002 177.010 176.870 0.237 0.000 1.156 197 L CA 0.371 55.356 54.840 0.241 0.000 0.946 197 L CB -0.006 42.190 42.059 0.228 0.000 1.216 197 L HN 0.204 nan 8.230 nan 0.000 0.493 198 E N -0.476 119.884 120.200 0.266 0.000 3.646 198 E HA 0.045 4.395 4.350 -0.000 0.000 0.211 198 E C -0.443 176.280 176.600 0.204 0.000 1.034 198 E CA -0.095 56.446 56.400 0.235 0.000 1.341 198 E CB 0.469 30.299 29.700 0.217 0.000 1.202 198 E HN 0.019 nan 8.360 nan 0.000 0.447 199 D N 1.384 121.871 120.400 0.145 0.000 2.519 199 D HA 0.005 4.645 4.640 -0.000 0.000 0.238 199 D C -0.222 176.082 176.300 0.006 0.000 1.192 199 D CA -0.009 53.965 54.000 -0.044 0.000 0.835 199 D CB 0.065 40.603 40.800 -0.437 0.000 0.975 199 D HN 0.083 nan 8.370 nan 0.000 0.490 200 Q N 0.510 120.400 119.800 0.149 0.000 2.361 200 Q HA 0.070 4.410 4.340 -0.000 0.000 0.276 200 Q C -0.037 176.084 176.000 0.202 0.000 1.022 200 Q CA 0.169 56.124 55.803 0.252 0.000 0.898 200 Q CB 0.557 29.578 28.738 0.473 0.000 1.246 200 Q HN 0.053 nan 8.270 nan 0.000 0.410 201 D N 3.396 123.946 120.400 0.251 0.000 2.489 201 D HA 0.137 4.777 4.640 -0.000 0.000 0.237 201 D C -0.788 175.695 176.300 0.305 0.000 1.212 201 D CA 0.222 54.356 54.000 0.223 0.000 1.058 201 D CB -0.415 40.546 40.800 0.268 0.000 1.098 201 D HN 0.482 nan 8.370 nan 0.000 0.509 202 M N 0.086 119.808 119.600 0.203 0.000 3.008 202 M HA 0.453 4.933 4.480 -0.000 0.000 0.271 202 M C -1.206 175.201 176.300 0.177 0.000 1.265 202 M CA -1.212 54.158 55.300 0.118 0.000 0.817 202 M CB 1.145 33.719 32.600 -0.043 0.000 1.638 202 M HN -0.103 nan 8.290 nan 0.000 0.479 203 W N 1.969 123.356 121.300 0.145 0.000 2.216 203 W HA 0.392 5.052 4.660 -0.000 0.000 0.326 203 W C 0.127 176.655 176.519 0.016 0.000 1.319 203 W CA -0.277 57.135 57.345 0.111 0.000 1.213 203 W CB 0.550 30.020 29.460 0.016 0.000 1.171 203 W HN 0.255 nan 8.180 nan 0.000 0.557 204 R N 5.000 125.684 120.500 0.307 0.000 2.204 204 R HA 0.401 4.741 4.340 -0.000 0.000 0.341 204 R C -0.168 176.158 176.300 0.042 0.000 1.035 204 R CA -0.192 56.008 56.100 0.167 0.000 0.887 204 R CB 0.245 30.687 30.300 0.237 0.000 1.114 204 R HN 0.578 nan 8.270 nan 0.000 0.473 205 M N 0.368 119.891 119.600 -0.128 0.000 2.655 205 M HA 0.506 4.986 4.480 -0.000 0.000 0.271 205 M C -0.135 175.853 176.300 -0.519 0.000 1.013 205 M CA -0.727 54.377 55.300 -0.326 0.000 0.994 205 M CB 1.993 34.387 32.600 -0.343 0.000 1.585 205 M HN 0.658 nan 8.290 nan 0.000 0.569 206 S N -1.352 113.921 115.700 -0.711 0.000 2.611 206 S HA 0.848 5.318 4.470 -0.000 0.000 0.270 206 S C -0.629 173.547 174.600 -0.707 0.000 1.131 206 S CA -0.328 57.368 58.200 -0.839 0.000 0.826 206 S CB 1.444 63.956 63.200 -1.148 0.000 1.095 206 S HN 1.428 nan 8.310 nan 0.000 0.461 207 G N 0.241 108.835 108.800 -0.343 0.000 2.318 207 G HA2 0.157 4.117 3.960 -0.000 0.000 0.367 207 G HA3 0.157 4.117 3.960 -0.000 0.000 0.367 207 G C -1.507 173.386 174.900 -0.012 0.000 1.260 207 G CA -0.543 44.582 45.100 0.041 0.000 1.055 207 G HN 1.235 nan 8.290 nan 0.000 0.484 208 I N 2.161 122.613 120.570 -0.196 0.000 2.316 208 I HA 0.307 4.477 4.170 -0.000 0.000 0.286 208 I C 1.014 177.011 176.117 -0.200 0.000 1.107 208 I CA -0.309 60.769 61.300 -0.370 0.000 1.219 208 I CB -0.034 37.543 38.000 -0.706 0.000 1.455 208 I HN 0.514 nan 8.210 nan 0.000 0.498 209 F N 3.978 123.797 119.950 -0.218 0.000 2.727 209 F HA 0.427 4.954 4.527 -0.000 0.000 0.302 209 F C 0.698 176.434 175.800 -0.107 0.000 1.097 209 F CA -0.526 57.378 58.000 -0.160 0.000 1.330 209 F CB 0.070 38.974 39.000 -0.161 0.000 1.084 209 F HN 0.120 nan 8.300 nan 0.000 0.578 210 R N 0.683 120.783 120.500 -0.666 0.000 2.912 210 R HA 0.260 4.600 4.340 -0.000 0.000 0.262 210 R C -1.002 175.135 176.300 -0.271 0.000 1.057 210 R CA -1.158 54.702 56.100 -0.401 0.000 0.981 210 R CB 0.560 30.610 30.300 -0.418 0.000 1.201 210 R HN -0.032 nan 8.270 nan 0.000 0.484 211 D N 0.779 121.081 120.400 -0.162 0.000 2.474 211 D HA 0.091 4.731 4.640 -0.000 0.000 0.232 211 D C -0.274 175.922 176.300 -0.173 0.000 1.177 211 D CA 0.434 54.357 54.000 -0.128 0.000 0.876 211 D CB 0.403 41.164 40.800 -0.066 0.000 1.208 211 D HN 0.064 nan 8.370 nan 0.000 0.464 212 V N 0.927 120.747 119.914 -0.157 0.000 2.540 212 V HA 0.653 4.773 4.120 -0.000 0.000 0.302 212 V C -0.143 175.857 176.094 -0.156 0.000 1.035 212 V CA -0.591 61.570 62.300 -0.231 0.000 0.873 212 V CB 1.609 33.308 31.823 -0.207 0.000 0.992 212 V HN 0.752 nan 8.190 nan 0.000 0.428 213 S N 4.488 120.057 115.700 -0.219 0.000 2.625 213 S HA 0.827 5.297 4.470 -0.000 0.000 0.271 213 S C -1.247 173.304 174.600 -0.081 0.000 1.161 213 S CA -0.953 57.184 58.200 -0.106 0.000 0.820 213 S CB 1.922 65.089 63.200 -0.055 0.000 1.137 213 S HN 0.469 nan 8.310 nan 0.000 0.470 214 L N 1.299 122.540 121.223 0.030 0.000 2.386 214 L HA 0.697 5.037 4.340 -0.000 0.000 0.271 214 L C -1.590 175.390 176.870 0.183 0.000 0.993 214 L CA -0.790 54.132 54.840 0.138 0.000 0.819 214 L CB 1.869 44.098 42.059 0.284 0.000 1.294 214 L HN 0.673 nan 8.230 nan 0.000 0.414 215 L N 2.392 123.682 121.223 0.112 0.000 2.409 215 L HA 0.488 4.828 4.340 -0.000 0.000 0.272 215 L C -1.058 175.717 176.870 -0.159 0.000 0.980 215 L CA -0.287 54.552 54.840 -0.003 0.000 0.826 215 L CB 1.661 43.724 42.059 0.006 0.000 1.268 215 L HN 0.486 nan 8.230 nan 0.000 0.407 216 H N 4.035 122.776 119.070 -0.548 0.000 2.556 216 H HA 0.582 5.138 4.556 -0.000 0.000 0.310 216 H C -1.158 173.883 175.328 -0.478 0.000 1.057 216 H CA -0.142 55.416 56.048 -0.816 0.000 1.264 216 H CB 0.962 29.635 29.762 -1.816 0.000 1.404 216 H HN 0.617 nan 8.280 nan 0.000 0.462 217 K N 5.426 125.332 120.400 -0.823 0.000 2.435 217 K HA 0.418 4.738 4.320 -0.000 0.000 0.251 217 K C -2.742 173.505 176.600 -0.589 0.000 0.954 217 K CA -2.460 53.490 56.287 -0.561 0.000 0.820 217 K CB 1.809 34.090 32.500 -0.365 0.000 1.292 217 K HN 0.415 nan 8.250 nan 0.000 0.436 218 P HA -0.011 nan 4.420 nan 0.000 0.271 218 P C 0.148 177.317 177.300 -0.219 0.000 1.233 218 P CA -0.100 62.849 63.100 -0.250 0.000 0.789 218 P CB 0.444 32.050 31.700 -0.156 0.000 0.951 219 T N -2.981 111.482 114.554 -0.152 0.000 2.942 219 T HA -0.019 4.331 4.350 -0.000 0.000 0.265 219 T C 0.687 175.312 174.700 -0.125 0.000 1.062 219 T CA 1.182 63.208 62.100 -0.123 0.000 1.139 219 T CB -0.696 68.125 68.868 -0.079 0.000 0.883 219 T HN 0.308 nan 8.240 nan 0.000 0.468 220 T N 3.404 117.883 114.554 -0.124 0.000 2.853 220 T HA 0.442 4.792 4.350 -0.000 0.000 0.317 220 T C -0.338 174.270 174.700 -0.154 0.000 1.059 220 T CA -0.785 61.231 62.100 -0.140 0.000 0.954 220 T CB 0.713 69.505 68.868 -0.127 0.000 0.994 220 T HN 0.557 nan 8.240 nan 0.000 0.479 221 Q N 2.781 122.473 119.800 -0.179 0.000 2.683 221 Q HA 0.583 4.923 4.340 -0.000 0.000 0.302 221 Q C -1.031 174.849 176.000 -0.200 0.000 1.042 221 Q CA -1.172 54.511 55.803 -0.199 0.000 0.773 221 Q CB 1.400 29.986 28.738 -0.253 0.000 1.508 221 Q HN 0.427 nan 8.270 nan 0.000 0.459 222 I N 2.758 123.184 120.570 -0.239 0.000 2.436 222 I HA -0.021 4.149 4.170 -0.000 0.000 0.289 222 I C 0.984 176.902 176.117 -0.332 0.000 1.083 222 I CA 0.111 61.279 61.300 -0.221 0.000 1.372 222 I CB 1.026 38.860 38.000 -0.277 0.000 1.408 222 I HN 0.832 nan 8.210 nan 0.000 0.516 223 S N 3.127 118.747 115.700 -0.134 0.000 2.503 223 S HA 0.128 4.598 4.470 -0.000 0.000 0.217 223 S C 0.265 174.998 174.600 0.223 0.000 0.999 223 S CA -0.105 58.061 58.200 -0.058 0.000 0.914 223 S CB 0.239 63.426 63.200 -0.023 0.000 0.782 223 S HN 0.735 nan 8.310 nan 0.000 0.520 224 D N -0.608 119.966 120.400 0.292 0.000 2.766 224 D HA 0.440 5.080 4.640 -0.000 0.000 0.244 224 D C -1.768 174.755 176.300 0.372 0.000 1.198 224 D CA -0.698 53.558 54.000 0.427 0.000 0.739 224 D CB 1.128 42.060 40.800 0.221 0.000 1.379 224 D HN 0.248 nan 8.370 nan 0.000 0.437 225 F N -0.434 119.560 119.950 0.074 0.000 2.678 225 F HA 0.705 5.232 4.527 -0.000 0.000 0.308 225 F C -1.537 174.289 175.800 0.044 0.000 1.118 225 F CA -0.786 57.162 58.000 -0.086 0.000 0.959 225 F CB 1.409 40.419 39.000 0.016 0.000 1.305 225 F HN 0.298 nan 8.300 nan 0.000 0.443 226 H N 1.001 120.074 119.070 0.004 0.000 2.768 226 H HA 0.788 5.344 4.556 -0.000 0.000 0.371 226 H C -1.365 173.951 175.328 -0.020 0.000 1.151 226 H CA -1.520 54.456 56.048 -0.119 0.000 1.165 226 H CB 2.687 32.400 29.762 -0.082 0.000 1.722 226 H HN 0.616 nan 8.280 nan 0.000 0.543 227 V N 1.167 121.127 119.914 0.078 0.000 2.815 227 V HA 0.827 4.947 4.120 -0.000 0.000 0.314 227 V C -0.492 175.581 176.094 -0.035 0.000 1.064 227 V CA -0.584 61.729 62.300 0.021 0.000 0.952 227 V CB 1.679 33.492 31.823 -0.015 0.000 1.020 227 V HN 0.973 nan 8.190 nan 0.000 0.439 228 A N 1.970 124.748 122.820 -0.069 0.000 2.547 228 A HA 0.831 5.151 4.320 -0.000 0.000 0.297 228 A C -0.482 177.012 177.584 -0.151 0.000 1.056 228 A CA -0.391 51.592 52.037 -0.089 0.000 0.688 228 A CB 2.035 21.007 19.000 -0.047 0.000 1.282 228 A HN 0.934 nan 8.150 nan 0.000 0.400 229 T N 0.035 114.491 114.554 -0.163 0.000 2.807 229 T HA 0.795 5.145 4.350 -0.000 0.000 0.279 229 T C -0.377 174.155 174.700 -0.279 0.000 0.993 229 T CA -0.694 61.241 62.100 -0.275 0.000 0.970 229 T CB 1.263 69.927 68.868 -0.340 0.000 0.950 229 T HN 0.703 nan 8.240 nan 0.000 0.441 230 R N 1.646 121.879 120.500 -0.445 0.000 2.740 230 R HA 0.768 5.108 4.340 -0.000 0.000 0.282 230 R C -1.249 174.676 176.300 -0.626 0.000 0.969 230 R CA -0.747 55.162 56.100 -0.317 0.000 0.918 230 R CB 1.607 31.827 30.300 -0.135 0.000 1.175 230 R HN 0.555 nan 8.270 nan 0.000 0.464 231 F N 0.062 120.004 119.950 -0.014 0.000 2.640 231 F HA 0.360 4.887 4.527 -0.000 0.000 0.324 231 F C 0.362 176.042 175.800 -0.200 0.000 1.077 231 F CA -1.270 56.669 58.000 -0.101 0.000 0.965 231 F CB 0.850 39.710 39.000 -0.233 0.000 1.351 231 F HN 0.506 nan 8.300 nan 0.000 0.487 232 N N -0.208 118.490 118.700 -0.004 0.000 2.327 232 N HA 0.085 4.825 4.740 -0.000 0.000 0.257 232 N C 0.487 175.850 175.510 -0.246 0.000 1.281 232 N CA -0.215 52.783 53.050 -0.086 0.000 0.942 232 N CB 0.079 38.537 38.487 -0.048 0.000 1.199 232 N HN 0.647 nan 8.380 nan 0.000 0.532 233 D N -1.555 118.743 120.400 -0.170 0.000 2.265 233 D HA -0.226 4.414 4.640 -0.000 0.000 0.208 233 D C 0.111 176.279 176.300 -0.221 0.000 0.977 233 D CA 1.348 55.238 54.000 -0.183 0.000 0.871 233 D CB -0.420 40.340 40.800 -0.066 0.000 0.925 233 D HN 0.752 nan 8.370 nan 0.000 0.485 234 D N -1.494 118.810 120.400 -0.161 0.000 2.513 234 D HA -0.002 4.638 4.640 -0.000 0.000 0.222 234 D C 0.245 176.666 176.300 0.200 0.000 1.210 234 D CA -0.856 53.173 54.000 0.049 0.000 0.825 234 D CB -1.069 39.783 40.800 0.088 0.000 1.037 234 D HN 0.162 nan 8.370 nan 0.000 0.506 235 F N 0.716 120.723 119.950 0.097 0.000 3.006 235 F HA -0.301 4.226 4.527 -0.000 0.000 0.289 235 F C 1.786 177.668 175.800 0.136 0.000 0.772 235 F CA 0.801 58.880 58.000 0.133 0.000 1.162 235 F CB -2.478 36.502 39.000 -0.033 0.000 1.382 235 F HN 0.210 nan 8.300 nan 0.000 0.406 236 S N -0.416 115.394 115.700 0.183 0.000 2.522 236 S HA 0.121 4.591 4.470 -0.000 0.000 0.227 236 S C 0.701 175.356 174.600 0.092 0.000 0.986 236 S CA 0.754 59.028 58.200 0.124 0.000 0.929 236 S CB 0.357 63.604 63.200 0.077 0.000 0.769 236 S HN 0.587 nan 8.310 nan 0.000 0.529 237 R N -0.401 120.165 120.500 0.110 0.000 2.594 237 R HA 0.645 4.985 4.340 -0.000 0.000 0.265 237 R C -1.708 174.615 176.300 0.039 0.000 1.070 237 R CA -0.042 56.086 56.100 0.046 0.000 0.909 237 R CB 1.371 31.676 30.300 0.008 0.000 1.243 237 R HN 0.232 nan 8.270 nan 0.000 0.455 238 A N 2.490 125.271 122.820 -0.065 0.000 2.479 238 A HA 0.786 5.106 4.320 -0.000 0.000 0.296 238 A C -1.450 176.040 177.584 -0.156 0.000 1.121 238 A CA -0.677 51.236 52.037 -0.206 0.000 0.743 238 A CB 2.226 21.073 19.000 -0.255 0.000 1.323 238 A HN 0.361 nan 8.150 nan 0.000 0.415 239 V N 1.391 121.185 119.914 -0.200 0.000 2.483 239 V HA 0.426 4.546 4.120 -0.000 0.000 0.297 239 V C -1.031 175.005 176.094 -0.096 0.000 1.027 239 V CA -0.468 61.762 62.300 -0.117 0.000 0.855 239 V CB 1.355 33.111 31.823 -0.111 0.000 0.995 239 V HN 0.807 nan 8.190 nan 0.000 0.424 240 L N 5.226 126.429 121.223 -0.034 0.000 2.275 240 L HA 0.629 4.969 4.340 -0.000 0.000 0.288 240 L C -0.120 176.711 176.870 -0.063 0.000 1.046 240 L CA 0.180 54.984 54.840 -0.060 0.000 0.805 240 L CB 1.197 43.242 42.059 -0.022 0.000 1.193 240 L HN 0.857 nan 8.230 nan 0.000 0.426 241 E N 4.825 124.983 120.200 -0.071 0.000 2.218 241 E HA 0.752 5.102 4.350 -0.000 0.000 0.263 241 E C -1.791 174.796 176.600 -0.021 0.000 0.879 241 E CA -0.831 55.541 56.400 -0.046 0.000 0.762 241 E CB 1.565 31.237 29.700 -0.047 0.000 1.166 241 E HN 0.844 nan 8.360 nan 0.000 0.415 242 A N 4.386 127.200 122.820 -0.010 0.000 2.331 242 A HA 0.444 4.764 4.320 -0.000 0.000 0.320 242 A C -0.847 176.736 177.584 -0.003 0.000 1.138 242 A CA -0.708 51.344 52.037 0.026 0.000 0.790 242 A CB 1.458 20.484 19.000 0.044 0.000 1.206 242 A HN 0.735 nan 8.150 nan 0.000 0.470 243 E N 2.329 122.529 120.200 0.000 0.000 2.176 243 E HA 0.575 4.925 4.350 -0.000 0.000 0.267 243 E C -1.649 174.890 176.600 -0.102 0.000 0.893 243 E CA -0.409 55.944 56.400 -0.078 0.000 0.761 243 E CB 1.599 31.233 29.700 -0.108 0.000 1.133 243 E HN 0.410 nan 8.360 nan 0.000 0.409 244 V N 4.271 124.136 119.914 -0.082 0.000 2.604 244 V HA 0.362 4.482 4.120 -0.000 0.000 0.305 244 V C -0.498 175.624 176.094 0.046 0.000 1.043 244 V CA -0.809 61.480 62.300 -0.019 0.000 0.888 244 V CB 1.771 33.556 31.823 -0.063 0.000 0.995 244 V HN 0.694 nan 8.190 nan 0.000 0.429 245 Q N 4.132 123.986 119.800 0.090 0.000 2.377 245 Q HA 0.824 5.164 4.340 -0.000 0.000 0.271 245 Q C -0.848 175.231 176.000 0.131 0.000 1.077 245 Q CA -0.856 55.028 55.803 0.135 0.000 0.820 245 Q CB 2.846 31.594 28.738 0.018 0.000 1.347 245 Q HN 0.847 nan 8.270 nan 0.000 0.444 246 M N -0.878 118.756 119.600 0.056 0.000 2.664 246 M HA 0.762 5.242 4.480 -0.000 0.000 0.314 246 M C -1.302 174.892 176.300 -0.177 0.000 1.200 246 M CA -0.429 54.789 55.300 -0.136 0.000 0.916 246 M CB 2.040 34.363 32.600 -0.461 0.000 1.717 246 M HN 0.560 nan 8.290 nan 0.000 0.470 247 C N 1.425 120.619 119.300 -0.177 0.000 2.614 247 C HA 1.023 5.483 4.460 -0.000 0.000 0.320 247 C C 0.588 175.473 174.990 -0.174 0.000 1.200 247 C CA 0.893 59.822 59.018 -0.149 0.000 1.700 247 C CB 1.032 28.704 27.740 -0.114 0.000 2.275 247 C HN 1.355 nan 8.230 nan 0.000 0.492 248 G N 3.390 112.103 108.800 -0.145 0.000 2.396 248 G HA2 0.121 4.081 3.960 -0.000 0.000 0.254 248 G HA3 0.121 4.081 3.960 -0.000 0.000 0.254 248 G C -1.505 173.308 174.900 -0.144 0.000 1.248 248 G CA -0.291 44.726 45.100 -0.138 0.000 1.033 248 G HN 0.853 nan 8.290 nan 0.000 0.502 249 E N -0.337 119.785 120.200 -0.129 0.000 2.166 249 E HA 0.712 5.062 4.350 -0.000 0.000 0.275 249 E C 0.022 176.516 176.600 -0.176 0.000 0.941 249 E CA -0.957 55.365 56.400 -0.130 0.000 0.784 249 E CB 2.001 31.653 29.700 -0.079 0.000 1.115 249 E HN 0.631 nan 8.360 nan 0.000 0.399 250 L N 3.492 124.599 121.223 -0.194 0.000 2.455 250 L HA 0.256 4.596 4.340 -0.000 0.000 0.272 250 L C -0.068 176.679 176.870 -0.206 0.000 1.174 250 L CA 0.152 54.848 54.840 -0.241 0.000 0.869 250 L CB 0.226 42.164 42.059 -0.203 0.000 1.130 250 L HN 0.477 nan 8.230 nan 0.000 0.474 251 R N 2.684 123.000 120.500 -0.306 0.000 2.548 251 R HA 0.115 4.455 4.340 -0.000 0.000 0.280 251 R C 0.063 176.137 176.300 -0.376 0.000 1.061 251 R CA -0.617 55.280 56.100 -0.339 0.000 0.915 251 R CB 1.588 31.479 30.300 -0.682 0.000 1.210 251 R HN 0.713 nan 8.270 nan 0.000 0.442 252 D N 1.781 122.103 120.400 -0.129 0.000 2.393 252 D HA -0.205 4.435 4.640 -0.000 0.000 0.220 252 D C 0.885 177.191 176.300 0.010 0.000 0.974 252 D CA 1.461 55.446 54.000 -0.026 0.000 0.931 252 D CB -0.052 40.784 40.800 0.061 0.000 0.889 252 D HN 0.714 nan 8.370 nan 0.000 0.512 253 Y N -0.696 119.609 120.300 0.007 0.000 2.457 253 Y HA 0.394 4.944 4.550 -0.000 0.000 0.263 253 Y C 0.957 176.856 175.900 -0.001 0.000 1.164 253 Y CA -0.938 57.167 58.100 0.008 0.000 1.274 253 Y CB -0.320 38.146 38.460 0.010 0.000 1.097 253 Y HN -0.222 nan 8.280 nan 0.000 0.523 254 L N 2.946 123.984 121.223 -0.308 0.000 2.397 254 L HA 0.363 4.703 4.340 -0.000 0.000 0.271 254 L C 0.204 177.017 176.870 -0.095 0.000 1.148 254 L CA -0.100 54.623 54.840 -0.195 0.000 0.825 254 L CB 0.609 42.562 42.059 -0.178 0.000 1.117 254 L HN 0.252 nan 8.230 nan 0.000 0.456 255 R N 2.078 122.429 120.500 -0.248 0.000 2.799 255 R HA 0.750 5.090 4.340 -0.000 0.000 0.270 255 R C -1.543 174.434 176.300 -0.538 0.000 1.010 255 R CA -0.833 55.025 56.100 -0.403 0.000 0.916 255 R CB 2.389 32.417 30.300 -0.454 0.000 1.228 255 R HN 0.283 nan 8.270 nan 0.000 0.469 256 V N 0.789 120.480 119.914 -0.371 0.000 2.686 256 V HA 0.489 4.609 4.120 -0.000 0.000 0.306 256 V C -0.617 175.455 176.094 -0.037 0.000 1.065 256 V CA -0.610 61.550 62.300 -0.233 0.000 0.894 256 V CB 2.420 34.031 31.823 -0.353 0.000 1.004 256 V HN 0.788 nan 8.190 nan 0.000 0.424 257 T N 3.579 118.188 114.554 0.092 0.000 2.861 257 T HA 0.721 5.071 4.350 -0.000 0.000 0.287 257 T C -0.855 173.852 174.700 0.011 0.000 1.003 257 T CA -0.536 61.615 62.100 0.084 0.000 0.977 257 T CB 1.924 70.877 68.868 0.142 0.000 0.996 257 T HN 0.374 nan 8.240 nan 0.000 0.448 258 V N 3.060 122.965 119.914 -0.015 0.000 2.577 258 V HA 0.694 4.814 4.120 -0.000 0.000 0.303 258 V C -0.441 175.637 176.094 -0.027 0.000 1.042 258 V CA -0.870 61.416 62.300 -0.023 0.000 0.872 258 V CB 1.872 33.671 31.823 -0.040 0.000 0.998 258 V HN 1.077 nan 8.190 nan 0.000 0.423 259 S N 5.037 120.737 115.700 0.001 0.000 2.526 259 S HA 0.862 5.332 4.470 -0.000 0.000 0.293 259 S C -1.139 173.435 174.600 -0.044 0.000 1.092 259 S CA -0.770 57.388 58.200 -0.071 0.000 0.980 259 S CB 2.385 65.578 63.200 -0.011 0.000 1.048 259 S HN 0.474 nan 8.310 nan 0.000 0.483 260 L N 2.107 123.195 121.223 -0.225 0.000 2.322 260 L HA 0.731 5.071 4.340 -0.000 0.000 0.281 260 L C -1.839 174.864 176.870 -0.278 0.000 1.014 260 L CA -0.459 54.328 54.840 -0.089 0.000 0.815 260 L CB 0.795 42.828 42.059 -0.045 0.000 1.247 260 L HN 0.891 nan 8.230 nan 0.000 0.421 261 W N 3.274 124.669 121.300 0.158 0.000 2.736 261 W HA 0.574 5.234 4.660 -0.000 0.000 0.335 261 W C -0.488 176.159 176.519 0.214 0.000 1.059 261 W CA -0.580 56.853 57.345 0.147 0.000 1.226 261 W CB 1.619 31.121 29.460 0.070 0.000 1.416 261 W HN 0.434 nan 8.180 nan 0.000 0.505 262 Q N 2.668 122.717 119.800 0.416 0.000 2.644 262 Q HA 0.494 4.834 4.340 -0.000 0.000 0.245 262 Q C 0.682 176.773 176.000 0.151 0.000 1.064 262 Q CA 0.597 56.499 55.803 0.164 0.000 0.860 262 Q CB 0.344 29.132 28.738 0.084 0.000 1.145 262 Q HN 0.733 nan 8.270 nan 0.000 0.515 263 G N 2.323 111.205 108.800 0.135 0.000 2.595 263 G HA2 -0.366 3.594 3.960 -0.000 0.000 0.297 263 G HA3 -0.366 3.594 3.960 -0.000 0.000 0.297 263 G C 0.666 175.638 174.900 0.119 0.000 1.181 263 G CA 0.322 45.468 45.100 0.077 0.000 0.963 263 G HN 0.516 nan 8.290 nan 0.000 0.541 264 E N 1.559 121.832 120.200 0.122 0.000 2.385 264 E HA 0.195 4.545 4.350 -0.000 0.000 0.194 264 E C 1.263 178.083 176.600 0.368 0.000 1.013 264 E CA 0.924 57.409 56.400 0.140 0.000 0.866 264 E CB -0.125 29.622 29.700 0.080 0.000 0.832 264 E HN 0.473 nan 8.360 nan 0.000 0.500 265 T N 1.363 116.131 114.554 0.357 0.000 2.806 265 T HA 0.176 4.526 4.350 -0.000 0.000 0.290 265 T C 0.089 174.926 174.700 0.228 0.000 0.966 265 T CA -0.347 61.933 62.100 0.301 0.000 1.060 265 T CB 1.585 70.532 68.868 0.132 0.000 0.927 265 T HN -0.069 nan 8.240 nan 0.000 0.485 266 Q N 2.865 122.515 119.800 -0.249 0.000 2.296 266 Q HA 0.287 4.627 4.340 -0.000 0.000 0.257 266 Q C 0.317 176.041 176.000 -0.459 0.000 0.942 266 Q CA -0.396 54.781 55.803 -1.044 0.000 0.939 266 Q CB 0.928 28.754 28.738 -1.519 0.000 1.198 266 Q HN 0.583 nan 8.270 nan 0.000 0.429 267 V N 2.309 121.995 119.914 -0.379 0.000 2.685 267 V HA 0.333 4.453 4.120 -0.000 0.000 0.244 267 V C 0.418 176.401 176.094 -0.184 0.000 1.054 267 V CA 0.963 63.164 62.300 -0.164 0.000 1.076 267 V CB 0.099 31.917 31.823 -0.008 0.000 0.725 267 V HN 0.761 nan 8.190 nan 0.000 0.467 268 A N -1.202 121.464 122.820 -0.256 0.000 2.599 268 A HA 0.750 5.070 4.320 -0.000 0.000 0.294 268 A C -0.820 176.635 177.584 -0.216 0.000 1.055 268 A CA -0.048 51.872 52.037 -0.194 0.000 0.683 268 A CB 1.738 20.660 19.000 -0.129 0.000 1.278 268 A HN 0.029 nan 8.150 nan 0.000 0.412 269 S N -1.075 114.531 115.700 -0.157 0.000 2.579 269 S HA 0.895 5.365 4.470 -0.000 0.000 0.272 269 S C -0.491 174.059 174.600 -0.082 0.000 1.141 269 S CA 0.146 58.270 58.200 -0.125 0.000 0.843 269 S CB 1.964 65.086 63.200 -0.130 0.000 1.122 269 S HN 2.313 nan 8.310 nan 0.000 0.468 270 G N 1.216 109.980 108.800 -0.061 0.000 2.759 270 G HA2 0.596 4.556 3.960 -0.000 0.000 0.297 270 G HA3 0.596 4.556 3.960 -0.000 0.000 0.297 270 G C -1.518 173.363 174.900 -0.033 0.000 1.434 270 G CA -0.381 44.690 45.100 -0.049 0.000 0.980 270 G HN 0.685 nan 8.290 nan 0.000 0.531 271 T N -0.203 114.336 114.554 -0.025 0.000 2.900 271 T HA 0.910 5.260 4.350 -0.000 0.000 0.295 271 T C -0.170 174.505 174.700 -0.041 0.000 1.044 271 T CA 0.090 62.186 62.100 -0.007 0.000 0.995 271 T CB 1.870 70.768 68.868 0.050 0.000 1.072 271 T HN 1.780 nan 8.240 nan 0.000 0.473 272 A N 2.913 125.683 122.820 -0.083 0.000 2.566 272 A HA 0.915 5.235 4.320 -0.000 0.000 0.290 272 A C -3.246 174.228 177.584 -0.184 0.000 1.071 272 A CA -1.417 50.551 52.037 -0.116 0.000 0.658 272 A CB 1.150 20.071 19.000 -0.132 0.000 1.285 272 A HN 0.537 nan 8.150 nan 0.000 0.427 273 P HA 0.656 nan 4.420 nan 0.000 0.292 273 P C -0.772 176.441 177.300 -0.145 0.000 1.300 273 P CA -0.482 62.552 63.100 -0.110 0.000 0.900 273 P CB 0.590 32.276 31.700 -0.024 0.000 1.139 274 F N 0.829 120.729 119.950 -0.083 0.000 2.535 274 F HA 0.413 4.940 4.527 -0.000 0.000 0.332 274 F C 1.622 177.400 175.800 -0.036 0.000 1.208 274 F CA 1.926 59.888 58.000 -0.062 0.000 1.330 274 F CB -0.190 38.766 39.000 -0.074 0.000 1.167 274 F HN 0.629 nan 8.300 nan 0.000 0.597 275 G N 0.954 109.880 108.800 0.209 0.000 3.438 275 G HA2 0.374 4.334 3.960 -0.000 0.000 0.684 275 G HA3 0.374 4.334 3.960 -0.000 0.000 0.684 275 G C -0.482 174.462 174.900 0.073 0.000 1.192 275 G CA -0.792 44.383 45.100 0.126 0.000 1.013 275 G HN 1.060 nan 8.290 nan 0.000 0.530 276 G N 0.632 109.492 108.800 0.100 0.000 2.537 276 G HA2 0.755 4.715 3.960 -0.000 0.000 0.297 276 G HA3 0.755 4.715 3.960 -0.000 0.000 0.297 276 G C 0.061 174.994 174.900 0.055 0.000 1.310 276 G CA -0.323 44.827 45.100 0.084 0.000 1.027 276 G HN 0.895 nan 8.290 nan 0.000 0.505 277 E N -0.817 119.413 120.200 0.049 0.000 2.349 277 E HA 0.390 4.740 4.350 -0.000 0.000 0.262 277 E C -0.319 176.299 176.600 0.029 0.000 1.088 277 E CA -0.659 55.758 56.400 0.029 0.000 0.899 277 E CB 0.797 30.510 29.700 0.022 0.000 1.044 277 E HN 0.232 nan 8.360 nan 0.000 0.420 278 I N 1.694 122.271 120.570 0.011 0.000 2.710 278 I HA -0.058 4.112 4.170 -0.000 0.000 0.286 278 I C 1.004 177.125 176.117 0.007 0.000 1.181 278 I CA 0.580 61.879 61.300 -0.001 0.000 1.430 278 I CB 0.147 38.142 38.000 -0.007 0.000 1.367 278 I HN 0.651 nan 8.210 nan 0.000 0.577 279 I N 1.176 121.743 120.570 -0.005 0.000 4.124 279 I HA 0.416 4.586 4.170 -0.000 0.000 0.311 279 I C 0.005 176.119 176.117 -0.005 0.000 1.259 279 I CA 0.471 61.777 61.300 0.011 0.000 1.315 279 I CB 0.134 38.164 38.000 0.051 0.000 1.223 279 I HN 0.618 nan 8.210 nan 0.000 0.441 280 D N -0.547 119.837 120.400 -0.027 0.000 2.946 280 D HA 0.208 4.848 4.640 -0.000 0.000 0.337 280 D C 0.483 176.766 176.300 -0.029 0.000 1.332 280 D CA -0.431 53.554 54.000 -0.024 0.000 0.935 280 D CB 0.250 41.036 40.800 -0.023 0.000 1.440 280 D HN -0.086 nan 8.370 nan 0.000 0.540 281 E N -0.825 119.361 120.200 -0.025 0.000 2.209 281 E HA -0.076 4.274 4.350 -0.000 0.000 0.196 281 E C 1.590 178.170 176.600 -0.032 0.000 0.993 281 E CA 1.173 57.559 56.400 -0.024 0.000 0.819 281 E CB -0.033 29.656 29.700 -0.018 0.000 0.745 281 E HN 0.250 nan 8.360 nan 0.000 0.477 282 R N -0.468 120.004 120.500 -0.046 0.000 2.276 282 R HA 0.224 4.564 4.340 -0.000 0.000 0.196 282 R C 0.880 177.137 176.300 -0.071 0.000 0.961 282 R CA 0.698 56.764 56.100 -0.057 0.000 1.024 282 R CB 0.728 30.988 30.300 -0.067 0.000 0.940 282 R HN 0.213 nan 8.270 nan 0.000 0.480 283 G N -0.499 108.258 108.800 -0.073 0.000 2.295 283 G HA2 -0.079 3.881 3.960 -0.000 0.000 0.195 283 G HA3 -0.079 3.881 3.960 -0.000 0.000 0.195 283 G C -0.346 174.491 174.900 -0.104 0.000 1.269 283 G CA -0.639 44.417 45.100 -0.073 0.000 1.170 283 G HN 0.401 nan 8.290 nan 0.000 0.511 284 G N -1.812 106.921 108.800 -0.110 0.000 3.209 284 G HA2 0.635 4.595 3.960 -0.000 0.000 0.236 284 G HA3 0.635 4.595 3.960 -0.000 0.000 0.236 284 G C -1.523 173.229 174.900 -0.246 0.000 1.329 284 G CA -0.767 44.259 45.100 -0.124 0.000 1.015 284 G HN 0.721 nan 8.290 nan 0.000 0.571 285 Y N 0.767 121.080 120.300 0.022 0.000 2.404 285 Y HA 0.449 4.999 4.550 -0.000 0.000 0.344 285 Y C 1.373 177.300 175.900 0.046 0.000 0.970 285 Y CA 0.018 58.137 58.100 0.031 0.000 1.180 285 Y CB 1.875 40.360 38.460 0.041 0.000 1.138 285 Y HN 0.525 nan 8.280 nan 0.000 0.510 286 A N 1.849 124.750 122.820 0.134 0.000 1.968 286 A HA -0.138 4.182 4.320 -0.000 0.000 0.217 286 A C 1.278 178.950 177.584 0.146 0.000 1.169 286 A CA 1.495 53.593 52.037 0.102 0.000 0.638 286 A CB -0.237 18.780 19.000 0.029 0.000 0.812 286 A HN 0.788 nan 8.150 nan 0.000 0.446 287 D N -0.526 119.960 120.400 0.144 0.000 2.491 287 D HA 0.166 4.806 4.640 -0.000 0.000 0.228 287 D C 0.333 176.810 176.300 0.295 0.000 1.183 287 D CA -0.131 53.894 54.000 0.041 0.000 0.827 287 D CB -0.111 40.658 40.800 -0.052 0.000 0.989 287 D HN 0.424 nan 8.370 nan 0.000 0.494 288 R N -0.952 119.819 120.500 0.452 0.000 2.799 288 R HA 0.766 5.106 4.340 -0.000 0.000 0.270 288 R C -1.557 174.848 176.300 0.174 0.000 1.010 288 R CA -1.228 55.068 56.100 0.328 0.000 0.916 288 R CB 2.818 33.168 30.300 0.083 0.000 1.228 288 R HN -0.014 nan 8.270 nan 0.000 0.469 289 V N 0.158 120.031 119.914 -0.068 0.000 3.000 289 V HA 0.499 4.619 4.120 -0.000 0.000 0.300 289 V C -1.612 174.391 176.094 -0.152 0.000 1.251 289 V CA -0.249 61.937 62.300 -0.189 0.000 0.972 289 V CB 2.715 34.258 31.823 -0.466 0.000 1.065 289 V HN 0.833 nan 8.190 nan 0.000 0.431 290 T N 7.313 121.804 114.554 -0.105 0.000 2.812 290 T HA 0.750 5.100 4.350 -0.000 0.000 0.282 290 T C -0.970 173.682 174.700 -0.078 0.000 0.990 290 T CA -0.269 61.784 62.100 -0.079 0.000 0.960 290 T CB 1.186 70.028 68.868 -0.043 0.000 0.948 290 T HN 0.492 nan 8.240 nan 0.000 0.438 291 L N 2.924 124.103 121.223 -0.074 0.000 2.330 291 L HA 0.647 4.987 4.340 -0.000 0.000 0.271 291 L C 0.405 177.244 176.870 -0.051 0.000 1.013 291 L CA -0.684 54.116 54.840 -0.067 0.000 0.816 291 L CB 1.230 43.245 42.059 -0.074 0.000 1.287 291 L HN 0.415 nan 8.230 nan 0.000 0.435 292 R N 2.832 123.302 120.500 -0.050 0.000 2.451 292 R HA 0.660 5.000 4.340 -0.000 0.000 0.307 292 R C -1.499 174.772 176.300 -0.050 0.000 0.965 292 R CA -0.617 55.454 56.100 -0.048 0.000 0.865 292 R CB 1.461 31.734 30.300 -0.046 0.000 1.174 292 R HN 0.477 nan 8.270 nan 0.000 0.455 293 L N 2.618 123.812 121.223 -0.049 0.000 2.307 293 L HA 0.460 4.800 4.340 -0.000 0.000 0.284 293 L C 0.056 176.894 176.870 -0.053 0.000 1.023 293 L CA -0.944 53.865 54.840 -0.051 0.000 0.810 293 L CB 1.491 43.520 42.059 -0.051 0.000 1.231 293 L HN 0.467 nan 8.230 nan 0.000 0.423 294 N N 1.925 120.588 118.700 -0.061 0.000 2.498 294 N HA 0.471 5.211 4.740 -0.000 0.000 0.287 294 N C -1.004 174.454 175.510 -0.087 0.000 1.097 294 N CA -0.314 52.695 53.050 -0.068 0.000 0.973 294 N CB 2.848 41.299 38.487 -0.061 0.000 1.153 294 N HN 0.219 nan 8.380 nan 0.000 0.472 295 V N 2.017 121.864 119.914 -0.112 0.000 2.569 295 V HA 0.192 4.312 4.120 -0.000 0.000 0.301 295 V C -0.136 175.872 176.094 -0.142 0.000 1.044 295 V CA -0.843 61.357 62.300 -0.167 0.000 0.874 295 V CB 2.063 33.692 31.823 -0.322 0.000 1.002 295 V HN 0.535 nan 8.190 nan 0.000 0.424 296 E N 3.704 123.844 120.200 -0.099 0.000 2.301 296 E HA 0.281 4.631 4.350 -0.000 0.000 0.275 296 E C -0.091 176.479 176.600 -0.050 0.000 1.030 296 E CA -0.392 55.974 56.400 -0.057 0.000 0.852 296 E CB 0.661 30.340 29.700 -0.035 0.000 1.060 296 E HN 0.711 nan 8.360 nan 0.000 0.401 297 N N 1.347 120.040 118.700 -0.012 0.000 2.689 297 N HA -0.131 4.609 4.740 -0.000 0.000 0.263 297 N C -2.385 173.120 175.510 -0.008 0.000 0.987 297 N CA 0.359 53.418 53.050 0.015 0.000 0.782 297 N CB -1.363 37.137 38.487 0.022 0.000 0.903 297 N HN 0.318 nan 8.380 nan 0.000 0.547 298 P HA 0.130 nan 4.420 nan 0.000 0.272 298 P C 0.099 177.415 177.300 0.026 0.000 1.230 298 P CA 0.164 63.154 63.100 -0.184 0.000 0.788 298 P CB 0.854 32.192 31.700 -0.604 0.000 0.949 299 K N 1.342 121.839 120.400 0.162 0.000 2.234 299 K HA 0.393 4.713 4.320 -0.000 0.000 0.277 299 K C -0.156 176.611 176.600 0.278 0.000 1.038 299 K CA -0.540 55.853 56.287 0.178 0.000 0.888 299 K CB 0.494 33.066 32.500 0.120 0.000 1.091 299 K HN 0.382 nan 8.250 nan 0.000 0.467 300 L N 2.377 123.687 121.223 0.145 0.000 2.395 300 L HA 0.338 4.678 4.340 -0.000 0.000 0.269 300 L C -0.113 176.842 176.870 0.142 0.000 1.133 300 L CA -0.794 54.140 54.840 0.158 0.000 0.812 300 L CB 0.416 42.426 42.059 -0.082 0.000 1.125 300 L HN 0.599 nan 8.230 nan 0.000 0.452 301 W N 2.888 124.225 121.300 0.062 0.000 2.376 301 W HA 0.497 5.157 4.660 -0.000 0.000 0.322 301 W C -0.300 176.172 176.519 -0.079 0.000 1.160 301 W CA 0.128 57.487 57.345 0.024 0.000 1.218 301 W CB 1.268 30.790 29.460 0.102 0.000 1.205 301 W HN 0.609 nan 8.180 nan 0.000 0.559 302 S N 2.791 117.849 115.700 -1.071 0.000 2.588 302 S HA 0.611 5.081 4.470 -0.000 0.000 0.269 302 S C 0.028 173.813 174.600 -1.358 0.000 1.157 302 S CA -0.439 57.240 58.200 -0.869 0.000 0.824 302 S CB 1.261 64.201 63.200 -0.433 0.000 1.126 302 S HN 0.815 nan 8.310 nan 0.000 0.464 303 A N 0.343 122.572 122.820 -0.985 0.000 2.066 303 A HA 0.043 4.363 4.320 -0.000 0.000 0.218 303 A C 1.686 178.926 177.584 -0.574 0.000 1.157 303 A CA 1.269 52.693 52.037 -1.022 0.000 0.670 303 A CB -0.778 17.384 19.000 -1.396 0.000 0.804 303 A HN 0.863 nan 8.150 nan 0.000 0.453 304 E N -0.808 119.198 120.200 -0.324 0.000 2.106 304 E HA 0.030 4.380 4.350 -0.000 0.000 0.192 304 E C -0.280 176.168 176.600 -0.254 0.000 0.984 304 E CA 0.778 57.061 56.400 -0.195 0.000 0.806 304 E CB 0.020 29.745 29.700 0.042 0.000 0.750 304 E HN 0.604 nan 8.360 nan 0.000 0.458 305 I N 0.944 121.306 120.570 -0.346 0.000 2.588 305 I HA 0.140 4.310 4.170 -0.000 0.000 0.278 305 I C -2.624 173.222 176.117 -0.451 0.000 1.144 305 I CA -1.851 59.270 61.300 -0.299 0.000 1.074 305 I CB 2.154 40.039 38.000 -0.192 0.000 1.235 305 I HN -0.234 nan 8.210 nan 0.000 0.472 306 P HA 0.064 nan 4.420 nan 0.000 0.231 306 P C -0.497 176.794 177.300 -0.015 0.000 1.756 306 P CA -0.099 62.678 63.100 -0.539 0.000 0.990 306 P CB -0.371 31.233 31.700 -0.162 0.000 1.973 307 N N 1.783 120.494 118.700 0.018 0.000 2.468 307 N HA 0.128 4.868 4.740 -0.000 0.000 0.265 307 N C 0.077 175.805 175.510 0.363 0.000 1.199 307 N CA 0.374 53.508 53.050 0.141 0.000 0.928 307 N CB 0.619 39.171 38.487 0.110 0.000 1.059 307 N HN 0.266 nan 8.380 nan 0.000 0.467 308 L N 2.370 123.716 121.223 0.205 0.000 2.319 308 L HA 0.525 4.865 4.340 -0.000 0.000 0.267 308 L C -0.804 176.143 176.870 0.128 0.000 1.011 308 L CA -0.880 54.111 54.840 0.252 0.000 0.818 308 L CB 1.165 43.346 42.059 0.204 0.000 1.316 308 L HN 0.400 nan 8.230 nan 0.000 0.432 309 Y N -0.027 120.402 120.300 0.215 0.000 2.576 309 Y HA 0.567 5.117 4.550 -0.000 0.000 0.346 309 Y C -0.338 175.670 175.900 0.180 0.000 1.018 309 Y CA -0.809 57.425 58.100 0.224 0.000 1.050 309 Y CB 2.096 40.743 38.460 0.310 0.000 1.280 309 Y HN 0.385 nan 8.280 nan 0.000 0.474 310 R N 1.243 121.979 120.500 0.394 0.000 2.445 310 R HA 0.869 5.209 4.340 -0.000 0.000 0.308 310 R C -1.500 174.992 176.300 0.321 0.000 0.961 310 R CA -0.667 55.599 56.100 0.278 0.000 0.862 310 R CB 1.114 31.503 30.300 0.149 0.000 1.144 310 R HN 0.804 nan 8.270 nan 0.000 0.447 311 A N 3.799 126.750 122.820 0.218 0.000 2.331 311 A HA 0.588 4.908 4.320 -0.000 0.000 0.320 311 A C -1.114 176.544 177.584 0.124 0.000 1.138 311 A CA -0.657 51.495 52.037 0.192 0.000 0.790 311 A CB 1.509 20.600 19.000 0.151 0.000 1.206 311 A HN 0.456 nan 8.150 nan 0.000 0.470 312 V N 2.169 122.160 119.914 0.130 0.000 2.448 312 V HA 0.526 4.646 4.120 -0.000 0.000 0.295 312 V C -0.374 175.706 176.094 -0.024 0.000 1.025 312 V CA -0.693 61.628 62.300 0.034 0.000 0.859 312 V CB 1.398 33.247 31.823 0.044 0.000 0.988 312 V HN 0.582 nan 8.190 nan 0.000 0.431 313 V N 5.007 124.849 119.914 -0.121 0.000 2.334 313 V HA 0.439 4.559 4.120 -0.000 0.000 0.281 313 V C -0.035 176.002 176.094 -0.096 0.000 1.016 313 V CA -0.479 61.719 62.300 -0.169 0.000 0.832 313 V CB 1.146 32.720 31.823 -0.414 0.000 0.999 313 V HN 1.046 nan 8.190 nan 0.000 0.439 314 E N 5.059 125.251 120.200 -0.013 0.000 2.176 314 E HA 0.576 4.926 4.350 -0.000 0.000 0.267 314 E C -1.112 175.577 176.600 0.147 0.000 0.893 314 E CA -1.069 55.372 56.400 0.069 0.000 0.761 314 E CB 2.790 32.545 29.700 0.093 0.000 1.133 314 E HN 0.411 nan 8.360 nan 0.000 0.409 315 L N 5.315 126.594 121.223 0.093 0.000 2.255 315 L HA 0.285 4.625 4.340 -0.000 0.000 0.289 315 L C -0.687 176.247 176.870 0.106 0.000 1.046 315 L CA 0.067 54.935 54.840 0.047 0.000 0.816 315 L CB -0.097 41.968 42.059 0.009 0.000 1.197 315 L HN 0.699 nan 8.230 nan 0.000 0.427 316 H N 1.206 120.295 119.070 0.032 0.000 2.942 316 H HA 0.618 5.174 4.556 -0.000 0.000 0.316 316 H C -0.966 174.405 175.328 0.071 0.000 1.323 316 H CA -0.342 55.732 56.048 0.044 0.000 1.144 316 H CB 0.987 30.770 29.762 0.035 0.000 1.866 316 H HN 0.474 nan 8.280 nan 0.000 0.545 317 T N -2.825 111.865 114.554 0.227 0.000 2.927 317 T HA 0.526 4.876 4.350 -0.000 0.000 0.281 317 T C 1.440 176.317 174.700 0.295 0.000 0.998 317 T CA -0.196 62.048 62.100 0.240 0.000 1.019 317 T CB 1.389 70.448 68.868 0.317 0.000 1.061 317 T HN 0.776 nan 8.240 nan 0.000 0.518 318 A N 1.006 123.971 122.820 0.240 0.000 2.024 318 A HA -0.086 4.234 4.320 -0.000 0.000 0.220 318 A C 1.817 179.500 177.584 0.165 0.000 1.164 318 A CA 1.979 54.133 52.037 0.194 0.000 0.643 318 A CB -1.284 17.812 19.000 0.160 0.000 0.806 318 A HN 1.035 nan 8.150 nan 0.000 0.451 319 D N -2.968 117.517 120.400 0.142 0.000 2.269 319 D HA 0.268 4.908 4.640 -0.000 0.000 0.208 319 D C 1.255 177.603 176.300 0.081 0.000 0.963 319 D CA 1.361 55.411 54.000 0.084 0.000 0.864 319 D CB -0.146 40.681 40.800 0.046 0.000 0.936 319 D HN 0.670 nan 8.370 nan 0.000 0.505 320 G N -1.272 107.603 108.800 0.125 0.000 2.367 320 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.181 320 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.181 320 G C 0.328 175.260 174.900 0.054 0.000 1.000 320 G CA -0.042 45.090 45.100 0.052 0.000 0.693 320 G HN 0.329 nan 8.290 nan 0.000 0.480 321 T N 2.139 116.754 114.554 0.101 0.000 2.817 321 T HA 0.405 4.755 4.350 -0.000 0.000 0.295 321 T C 0.507 175.289 174.700 0.138 0.000 0.958 321 T CA 0.154 62.310 62.100 0.094 0.000 1.157 321 T CB 1.068 69.989 68.868 0.088 0.000 0.898 321 T HN 0.483 nan 8.240 nan 0.000 0.536 322 L N 4.857 126.138 121.223 0.097 0.000 2.331 322 L HA 0.256 4.596 4.340 -0.000 0.000 0.278 322 L C 0.618 177.547 176.870 0.099 0.000 1.106 322 L CA -0.463 54.447 54.840 0.118 0.000 0.824 322 L CB 0.465 42.563 42.059 0.066 0.000 1.142 322 L HN 0.578 nan 8.230 nan 0.000 0.443 323 I N 3.314 123.943 120.570 0.099 0.000 2.494 323 I HA 0.104 4.274 4.170 -0.000 0.000 0.250 323 I C 0.601 176.733 176.117 0.025 0.000 1.112 323 I CA 0.801 62.131 61.300 0.049 0.000 1.438 323 I CB -0.175 37.839 38.000 0.022 0.000 1.111 323 I HN 0.801 nan 8.210 nan 0.000 0.431 324 E N -0.593 119.626 120.200 0.032 0.000 2.421 324 E HA 0.675 5.025 4.350 -0.000 0.000 0.278 324 E C -1.675 174.949 176.600 0.040 0.000 1.141 324 E CA -1.035 55.381 56.400 0.027 0.000 0.880 324 E CB 0.981 30.662 29.700 -0.031 0.000 1.381 324 E HN -0.073 nan 8.360 nan 0.000 0.436 325 A N 0.926 123.797 122.820 0.084 0.000 2.539 325 A HA 0.738 5.058 4.320 -0.000 0.000 0.296 325 A C -1.255 176.453 177.584 0.208 0.000 1.073 325 A CA -0.687 51.407 52.037 0.094 0.000 0.700 325 A CB 1.910 20.954 19.000 0.072 0.000 1.296 325 A HN 0.515 nan 8.150 nan 0.000 0.405 326 E N -0.450 119.804 120.200 0.090 0.000 2.393 326 E HA 0.766 5.116 4.350 -0.000 0.000 0.273 326 E C -0.631 175.993 176.600 0.039 0.000 0.918 326 E CA -0.621 55.902 56.400 0.205 0.000 0.773 326 E CB 2.510 32.277 29.700 0.113 0.000 1.275 326 E HN 1.162 nan 8.360 nan 0.000 0.451 327 A N 0.179 123.135 122.820 0.227 0.000 2.588 327 A HA 0.859 5.179 4.320 -0.000 0.000 0.290 327 A C -1.116 176.648 177.584 0.300 0.000 1.136 327 A CA -0.392 51.712 52.037 0.112 0.000 0.681 327 A CB 1.194 20.131 19.000 -0.105 0.000 1.282 327 A HN 0.936 nan 8.150 nan 0.000 0.421 328 C N -0.815 118.620 119.300 0.226 0.000 3.292 328 C HA 0.728 5.188 4.460 -0.000 0.000 0.338 328 C C -1.545 173.532 174.990 0.144 0.000 1.323 328 C CA -0.987 58.157 59.018 0.211 0.000 1.232 328 C CB 0.886 28.765 27.740 0.232 0.000 1.517 328 C HN 0.829 nan 8.230 nan 0.000 0.470 329 D N 0.831 121.294 120.400 0.105 0.000 2.264 329 D HA 0.572 5.212 4.640 -0.000 0.000 0.249 329 D C -0.506 175.831 176.300 0.061 0.000 1.070 329 D CA 0.155 54.217 54.000 0.104 0.000 0.912 329 D CB 2.080 42.941 40.800 0.101 0.000 1.193 329 D HN 0.529 nan 8.370 nan 0.000 0.427 330 V N 0.698 120.676 119.914 0.107 0.000 2.656 330 V HA 0.645 4.765 4.120 -0.000 0.000 0.307 330 V C 0.370 176.503 176.094 0.065 0.000 1.051 330 V CA -0.732 61.577 62.300 0.015 0.000 0.893 330 V CB 2.196 34.016 31.823 -0.004 0.000 0.999 330 V HN 0.645 nan 8.190 nan 0.000 0.426 331 G N 2.763 111.489 108.800 -0.124 0.000 2.544 331 G HA2 0.642 4.602 3.960 -0.000 0.000 0.313 331 G HA3 0.642 4.602 3.960 -0.000 0.000 0.313 331 G C -1.240 173.647 174.900 -0.022 0.000 1.316 331 G CA -0.399 44.702 45.100 0.001 0.000 0.944 331 G HN 0.410 nan 8.290 nan 0.000 0.489 332 F N 2.258 122.390 119.950 0.303 0.000 2.404 332 F HA 0.560 5.087 4.527 -0.000 0.000 0.359 332 F C 0.919 176.959 175.800 0.400 0.000 1.134 332 F CA -0.299 57.934 58.000 0.388 0.000 1.160 332 F CB 1.106 40.353 39.000 0.412 0.000 1.186 332 F HN 0.552 nan 8.300 nan 0.000 0.526 333 R N 1.214 122.015 120.500 0.502 0.000 2.634 333 R HA 0.461 4.801 4.340 -0.000 0.000 0.263 333 R C -1.761 174.685 176.300 0.244 0.000 1.060 333 R CA -1.073 55.172 56.100 0.242 0.000 0.898 333 R CB 1.424 31.886 30.300 0.271 0.000 1.253 333 R HN 0.458 nan 8.270 nan 0.000 0.461 334 E N 2.098 122.342 120.200 0.075 0.000 2.199 334 E HA 0.475 4.825 4.350 -0.000 0.000 0.265 334 E C -1.290 175.366 176.600 0.093 0.000 0.882 334 E CA -1.019 55.478 56.400 0.162 0.000 0.759 334 E CB 2.022 31.853 29.700 0.219 0.000 1.148 334 E HN 0.430 nan 8.360 nan 0.000 0.412 335 V N 5.486 125.454 119.914 0.090 0.000 2.417 335 V HA 0.584 4.704 4.120 -0.000 0.000 0.291 335 V C -0.183 175.943 176.094 0.054 0.000 1.024 335 V CA -0.558 61.770 62.300 0.045 0.000 0.861 335 V CB 1.262 33.092 31.823 0.013 0.000 0.985 335 V HN 0.752 nan 8.190 nan 0.000 0.436 336 R N 4.461 124.988 120.500 0.046 0.000 2.692 336 R HA 0.689 5.029 4.340 -0.000 0.000 0.269 336 R C -2.105 174.216 176.300 0.034 0.000 1.030 336 R CA -0.864 55.266 56.100 0.050 0.000 0.882 336 R CB 1.742 32.085 30.300 0.072 0.000 1.250 336 R HN 0.531 nan 8.270 nan 0.000 0.465 337 I N 1.833 122.424 120.570 0.035 0.000 2.330 337 I HA 0.329 4.499 4.170 -0.000 0.000 0.289 337 I C -0.560 175.576 176.117 0.031 0.000 1.001 337 I CA -0.357 60.959 61.300 0.027 0.000 1.193 337 I CB 1.700 39.717 38.000 0.029 0.000 1.345 337 I HN 0.668 nan 8.210 nan 0.000 0.461 338 E N 6.266 126.481 120.200 0.024 0.000 2.263 338 E HA 0.222 4.572 4.350 -0.000 0.000 0.268 338 E C -0.388 176.223 176.600 0.018 0.000 0.884 338 E CA -0.626 55.789 56.400 0.026 0.000 0.766 338 E CB 1.048 30.768 29.700 0.034 0.000 1.196 338 E HN 0.549 nan 8.360 nan 0.000 0.416 339 N N 3.443 122.154 118.700 0.018 0.000 2.725 339 N HA -0.233 4.507 4.740 -0.000 0.000 0.251 339 N C 0.427 175.941 175.510 0.007 0.000 1.031 339 N CA 1.961 55.018 53.050 0.013 0.000 0.720 339 N CB -1.236 37.258 38.487 0.011 0.000 0.930 339 N HN 0.973 nan 8.380 nan 0.000 0.543 340 G N -1.982 106.822 108.800 0.008 0.000 2.179 340 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.260 340 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.260 340 G C -0.029 174.865 174.900 -0.010 0.000 0.977 340 G CA 0.622 45.723 45.100 0.001 0.000 0.641 340 G HN 0.520 nan 8.290 nan 0.000 0.533 341 L N -0.163 121.055 121.223 -0.008 0.000 2.354 341 L HA 0.747 5.087 4.340 -0.000 0.000 0.269 341 L C -0.102 176.757 176.870 -0.018 0.000 1.005 341 L CA -1.360 53.467 54.840 -0.021 0.000 0.819 341 L CB 1.899 43.944 42.059 -0.022 0.000 1.311 341 L HN 0.077 nan 8.230 nan 0.000 0.423 342 L N 3.742 124.943 121.223 -0.038 0.000 2.260 342 L HA 0.514 4.854 4.340 -0.000 0.000 0.289 342 L C -0.862 175.982 176.870 -0.043 0.000 1.057 342 L CA 0.297 55.114 54.840 -0.039 0.000 0.811 342 L CB 0.479 42.501 42.059 -0.061 0.000 1.184 342 L HN 0.378 nan 8.230 nan 0.000 0.429 343 L N 5.674 126.887 121.223 -0.017 0.000 2.333 343 L HA 0.612 4.952 4.340 -0.000 0.000 0.269 343 L C -0.869 176.002 176.870 0.001 0.000 1.010 343 L CA -0.842 53.995 54.840 -0.004 0.000 0.818 343 L CB 1.993 44.070 42.059 0.031 0.000 1.306 343 L HN 0.558 nan 8.230 nan 0.000 0.430 344 L N 2.699 123.933 121.223 0.019 0.000 2.376 344 L HA 0.495 4.835 4.340 -0.000 0.000 0.275 344 L C -0.473 176.428 176.870 0.052 0.000 0.987 344 L CA -0.233 54.629 54.840 0.036 0.000 0.828 344 L CB 1.097 43.174 42.059 0.031 0.000 1.249 344 L HN 0.648 nan 8.230 nan 0.000 0.409 345 N N 4.115 122.741 118.700 -0.123 0.000 2.716 345 N HA -0.226 4.514 4.740 -0.000 0.000 0.250 345 N C 0.895 176.163 175.510 -0.402 0.000 1.033 345 N CA 1.412 54.134 53.050 -0.546 0.000 0.727 345 N CB -1.161 36.890 38.487 -0.727 0.000 0.950 345 N HN 1.172 nan 8.380 nan 0.000 0.541 346 G N -1.992 106.794 108.800 -0.023 0.000 2.225 346 G HA2 -0.346 3.614 3.960 -0.000 0.000 0.254 346 G HA3 -0.346 3.614 3.960 -0.000 0.000 0.254 346 G C -0.057 174.880 174.900 0.063 0.000 0.988 346 G CA 0.841 46.007 45.100 0.109 0.000 0.625 346 G HN 0.501 nan 8.290 nan 0.000 0.527 347 K N 0.995 121.425 120.400 0.050 0.000 2.208 347 K HA 0.547 4.867 4.320 -0.000 0.000 0.247 347 K C -3.019 173.562 176.600 -0.032 0.000 0.953 347 K CA -2.111 54.163 56.287 -0.021 0.000 0.837 347 K CB 2.675 35.085 32.500 -0.150 0.000 1.131 347 K HN 0.048 nan 8.250 nan 0.000 0.431 348 P HA 0.216 nan 4.420 nan 0.000 0.282 348 P C -0.251 176.989 177.300 -0.101 0.000 1.274 348 P CA -0.174 62.883 63.100 -0.072 0.000 0.770 348 P CB 0.551 32.210 31.700 -0.069 0.000 0.867 349 L N 3.414 124.572 121.223 -0.109 0.000 2.456 349 L HA 0.421 4.761 4.340 -0.000 0.000 0.257 349 L C 0.432 177.219 176.870 -0.139 0.000 1.162 349 L CA -0.804 53.959 54.840 -0.128 0.000 0.808 349 L CB 0.569 42.519 42.059 -0.181 0.000 1.136 349 L HN 0.235 nan 8.230 nan 0.000 0.466 350 L N 2.783 123.936 121.223 -0.117 0.000 2.471 350 L HA 0.414 4.754 4.340 -0.000 0.000 0.263 350 L C -0.706 176.104 176.870 -0.099 0.000 0.985 350 L CA -0.199 54.557 54.840 -0.141 0.000 0.868 350 L CB 0.999 43.002 42.059 -0.094 0.000 1.203 350 L HN 0.217 nan 8.230 nan 0.000 0.429 351 I N 4.519 124.967 120.570 -0.203 0.000 2.436 351 I HA 0.214 4.384 4.170 -0.000 0.000 0.289 351 I C 0.565 176.609 176.117 -0.122 0.000 1.083 351 I CA 0.127 61.314 61.300 -0.189 0.000 1.372 351 I CB 0.525 38.290 38.000 -0.393 0.000 1.408 351 I HN 0.553 nan 8.210 nan 0.000 0.516 352 R N 4.745 125.250 120.500 0.010 0.000 3.070 352 R HA 0.448 4.788 4.340 -0.000 0.000 0.252 352 R C 0.544 176.917 176.300 0.123 0.000 1.370 352 R CA -0.262 55.868 56.100 0.051 0.000 1.482 352 R CB 0.753 30.950 30.300 -0.172 0.000 1.220 352 R HN 0.774 nan 8.270 nan 0.000 0.622 353 G N 0.077 108.898 108.800 0.036 0.000 2.509 353 G HA2 0.591 4.551 3.960 -0.000 0.000 0.328 353 G HA3 0.591 4.551 3.960 -0.000 0.000 0.328 353 G C -1.264 173.925 174.900 0.482 0.000 1.194 353 G CA -0.481 44.647 45.100 0.047 0.000 0.967 353 G HN 0.229 nan 8.290 nan 0.000 0.488 354 V N 0.226 120.463 119.914 0.538 0.000 3.012 354 V HA 0.462 4.582 4.120 -0.000 0.000 0.307 354 V C -1.167 175.071 176.094 0.240 0.000 1.166 354 V CA -1.197 61.293 62.300 0.316 0.000 0.974 354 V CB 2.242 33.971 31.823 -0.158 0.000 1.040 354 V HN 0.783 nan 8.190 nan 0.000 0.428 355 N N 4.274 123.023 118.700 0.082 0.000 2.518 355 N HA 0.518 5.258 4.740 -0.000 0.000 0.283 355 N C -0.799 174.500 175.510 -0.352 0.000 1.119 355 N CA -0.423 52.532 53.050 -0.159 0.000 0.983 355 N CB 1.755 40.133 38.487 -0.180 0.000 1.139 355 N HN 0.669 nan 8.380 nan 0.000 0.465 356 R N 1.689 121.944 120.500 -0.408 0.000 2.533 356 R HA 0.251 4.591 4.340 -0.000 0.000 0.288 356 R C -1.193 174.858 176.300 -0.415 0.000 1.039 356 R CA -0.557 55.317 56.100 -0.378 0.000 0.909 356 R CB 1.090 31.176 30.300 -0.357 0.000 1.195 356 R HN 0.579 nan 8.270 nan 0.000 0.438 357 H N 2.001 120.917 119.070 -0.257 0.000 2.495 357 H HA 0.172 4.728 4.556 -0.000 0.000 0.350 357 H C -0.550 174.760 175.328 -0.030 0.000 1.202 357 H CA -0.214 55.770 56.048 -0.106 0.000 1.322 357 H CB 1.668 31.423 29.762 -0.012 0.000 1.544 357 H HN 0.566 nan 8.280 nan 0.000 0.565 358 E N 1.655 122.036 120.200 0.302 0.000 1.963 358 E HA 0.106 4.456 4.350 -0.000 0.000 0.274 358 E C -0.767 175.958 176.600 0.207 0.000 1.061 358 E CA 0.007 56.498 56.400 0.151 0.000 0.847 358 E CB 0.149 29.945 29.700 0.160 0.000 1.083 358 E HN 0.398 nan 8.360 nan 0.000 0.402 359 H N 1.603 120.710 119.070 0.062 0.000 2.947 359 H HA 0.229 4.785 4.556 -0.000 0.000 0.354 359 H C -1.647 173.706 175.328 0.043 0.000 1.085 359 H CA -0.696 55.383 56.048 0.052 0.000 1.253 359 H CB 1.027 30.810 29.762 0.035 0.000 1.757 359 H HN 0.362 nan 8.280 nan 0.000 0.523 360 H N 6.531 125.279 119.070 -0.537 0.000 2.744 360 H HA 0.196 4.752 4.556 -0.000 0.000 0.339 360 H C -2.215 172.700 175.328 -0.689 0.000 1.004 360 H CA -2.441 53.338 56.048 -0.448 0.000 1.257 360 H CB 2.439 32.057 29.762 -0.240 0.000 1.552 360 H HN 0.558 nan 8.280 nan 0.000 0.522 361 P HA -0.154 nan 4.420 nan 0.000 0.216 361 P C 1.392 178.579 177.300 -0.188 0.000 1.150 361 P CA 1.021 63.932 63.100 -0.315 0.000 0.843 361 P CB 0.797 32.339 31.700 -0.263 0.000 0.787 362 L N -2.012 119.231 121.223 0.033 0.000 2.262 362 L HA 0.051 4.391 4.340 -0.000 0.000 0.197 362 L C 2.445 179.227 176.870 -0.147 0.000 1.073 362 L CA 0.845 55.633 54.840 -0.087 0.000 0.800 362 L CB -0.767 41.126 42.059 -0.277 0.000 0.987 362 L HN 0.013 nan 8.230 nan 0.000 0.470 363 H N -0.484 118.511 119.070 -0.125 0.000 2.547 363 H HA 0.161 4.717 4.556 -0.000 0.000 0.266 363 H C 1.450 176.644 175.328 -0.223 0.000 0.988 363 H CA 0.078 55.958 56.048 -0.280 0.000 1.147 363 H CB 0.240 29.712 29.762 -0.482 0.000 1.365 363 H HN 0.471 nan 8.280 nan 0.000 0.589 364 G N 1.551 110.254 108.800 -0.162 0.000 2.543 364 G HA2 -0.403 3.557 3.960 -0.000 0.000 0.286 364 G HA3 -0.403 3.557 3.960 -0.000 0.000 0.286 364 G C 0.582 175.372 174.900 -0.183 0.000 1.153 364 G CA 0.351 45.291 45.100 -0.267 0.000 0.968 364 G HN 0.478 nan 8.290 nan 0.000 0.544 365 Q N 0.080 119.785 119.800 -0.158 0.000 2.247 365 Q HA 0.444 4.784 4.340 -0.000 0.000 0.205 365 Q C 0.305 176.325 176.000 0.034 0.000 0.896 365 Q CA -0.036 55.703 55.803 -0.107 0.000 0.950 365 Q CB 0.768 29.334 28.738 -0.286 0.000 1.054 365 Q HN 0.372 nan 8.270 nan 0.000 0.482 366 V N 1.867 121.809 119.914 0.046 0.000 2.432 366 V HA 0.211 4.331 4.120 -0.000 0.000 0.275 366 V C 0.126 176.259 176.094 0.064 0.000 1.043 366 V CA -0.255 62.097 62.300 0.087 0.000 0.925 366 V CB 0.999 32.825 31.823 0.006 0.000 0.985 366 V HN 0.323 nan 8.190 nan 0.000 0.466 367 M N 4.442 124.081 119.600 0.064 0.000 2.471 367 M HA 0.562 5.042 4.480 -0.000 0.000 0.309 367 M C -0.445 175.811 176.300 -0.072 0.000 1.186 367 M CA -0.600 54.697 55.300 -0.005 0.000 1.008 367 M CB 1.453 34.007 32.600 -0.077 0.000 1.551 367 M HN 0.973 nan 8.290 nan 0.000 0.477 368 D N -2.280 118.083 120.400 -0.062 0.000 2.655 368 D HA 0.213 4.853 4.640 -0.000 0.000 0.229 368 D C 0.195 176.490 176.300 -0.008 0.000 1.229 368 D CA -0.692 53.279 54.000 -0.049 0.000 0.807 368 D CB 1.293 42.099 40.800 0.010 0.000 1.514 368 D HN 0.665 nan 8.370 nan 0.000 0.444 369 E N 0.118 120.322 120.200 0.008 0.000 2.086 369 E HA -0.410 3.940 4.350 -0.000 0.000 0.205 369 E C 1.627 178.282 176.600 0.091 0.000 1.027 369 E CA 1.843 58.281 56.400 0.064 0.000 0.830 369 E CB 0.064 29.814 29.700 0.084 0.000 0.751 369 E HN 0.570 nan 8.360 nan 0.000 0.456 370 Q N -0.330 119.522 119.800 0.087 0.000 2.077 370 Q HA -0.199 4.141 4.340 -0.000 0.000 0.206 370 Q C 2.216 178.279 176.000 0.106 0.000 0.989 370 Q CA 2.503 58.364 55.803 0.097 0.000 0.853 370 Q CB -0.332 28.463 28.738 0.095 0.000 0.907 370 Q HN 0.375 nan 8.270 nan 0.000 0.418 371 T N 1.161 115.786 114.554 0.118 0.000 2.674 371 T HA -0.153 4.197 4.350 -0.000 0.000 0.265 371 T C 2.010 176.788 174.700 0.131 0.000 1.039 371 T CA 1.634 63.812 62.100 0.130 0.000 1.150 371 T CB -0.246 68.715 68.868 0.155 0.000 0.864 371 T HN 0.299 nan 8.240 nan 0.000 0.427 372 M N 0.713 120.394 119.600 0.134 0.000 2.113 372 M HA -0.182 4.298 4.480 -0.000 0.000 0.255 372 M C 2.450 178.879 176.300 0.215 0.000 1.073 372 M CA 1.682 57.124 55.300 0.238 0.000 1.091 372 M CB -0.924 31.845 32.600 0.281 0.000 1.309 372 M HN 0.125 nan 8.290 nan 0.000 0.407 373 V N -0.134 119.853 119.914 0.122 0.000 2.332 373 V HA -0.306 3.814 4.120 -0.000 0.000 0.248 373 V C 2.289 178.378 176.094 -0.008 0.000 1.055 373 V CA 2.053 64.359 62.300 0.009 0.000 1.038 373 V CB -0.966 30.884 31.823 0.045 0.000 0.651 373 V HN 0.552 nan 8.190 nan 0.000 0.450 374 Q N -0.193 119.648 119.800 0.068 0.000 2.045 374 Q HA -0.288 4.052 4.340 -0.000 0.000 0.206 374 Q C 2.115 178.192 176.000 0.128 0.000 0.991 374 Q CA 2.280 58.137 55.803 0.090 0.000 0.851 374 Q CB -0.178 28.627 28.738 0.112 0.000 0.911 374 Q HN 0.626 nan 8.270 nan 0.000 0.418 375 D N 0.248 120.751 120.400 0.172 0.000 2.116 375 D HA -0.190 4.450 4.640 -0.000 0.000 0.193 375 D C 1.884 178.178 176.300 -0.010 0.000 0.998 375 D CA 1.222 55.346 54.000 0.206 0.000 0.836 375 D CB -0.314 40.580 40.800 0.157 0.000 0.951 375 D HN 0.336 nan 8.370 nan 0.000 0.449 376 I N 0.643 121.182 120.570 -0.052 0.000 2.163 376 I HA -0.263 3.907 4.170 -0.000 0.000 0.243 376 I C 2.467 178.475 176.117 -0.182 0.000 1.085 376 I CA 0.712 61.885 61.300 -0.211 0.000 1.347 376 I CB -0.208 37.571 38.000 -0.367 0.000 1.044 376 I HN 0.062 nan 8.210 nan 0.000 0.408 377 L N 0.210 121.360 121.223 -0.122 0.000 2.012 377 L HA -0.262 4.078 4.340 -0.000 0.000 0.210 377 L C 2.642 179.583 176.870 0.117 0.000 1.073 377 L CA 1.729 56.570 54.840 0.003 0.000 0.748 377 L CB -0.820 41.254 42.059 0.025 0.000 0.891 377 L HN 0.341 nan 8.230 nan 0.000 0.431 378 L N -0.859 120.461 121.223 0.162 0.000 1.989 378 L HA -0.299 4.041 4.340 -0.000 0.000 0.211 378 L C 2.808 179.852 176.870 0.289 0.000 1.071 378 L CA 1.575 56.589 54.840 0.289 0.000 0.749 378 L CB -0.409 41.946 42.059 0.493 0.000 0.890 378 L HN 0.313 nan 8.230 nan 0.000 0.431 379 M N -0.620 119.016 119.600 0.060 0.000 2.073 379 M HA -0.280 4.200 4.480 -0.000 0.000 0.258 379 M C 2.348 178.726 176.300 0.131 0.000 1.070 379 M CA 1.877 57.130 55.300 -0.078 0.000 1.103 379 M CB -0.504 31.829 32.600 -0.444 0.000 1.321 379 M HN 0.135 nan 8.290 nan 0.000 0.405 380 K N 0.200 120.575 120.400 -0.042 0.000 2.063 380 K HA -0.212 4.108 4.320 -0.000 0.000 0.208 380 K C 1.903 178.474 176.600 -0.048 0.000 1.048 380 K CA 1.599 57.753 56.287 -0.222 0.000 0.928 380 K CB -0.329 31.852 32.500 -0.532 0.000 0.713 380 K HN 0.557 nan 8.250 nan 0.000 0.442 381 Q N 0.114 120.050 119.800 0.226 0.000 2.291 381 Q HA -0.035 4.305 4.340 -0.000 0.000 0.205 381 Q C 0.993 177.271 176.000 0.463 0.000 0.970 381 Q CA 0.628 56.685 55.803 0.423 0.000 0.876 381 Q CB 0.069 29.037 28.738 0.384 0.000 0.935 381 Q HN 0.287 nan 8.270 nan 0.000 0.455 382 N N 0.678 119.621 118.700 0.404 0.000 2.251 382 N HA 0.039 4.779 4.740 -0.000 0.000 0.217 382 N C -0.536 175.109 175.510 0.224 0.000 1.124 382 N CA 0.073 53.362 53.050 0.399 0.000 0.843 382 N CB 0.647 39.443 38.487 0.514 0.000 1.024 382 N HN 0.176 nan 8.380 nan 0.000 0.501 383 N N -0.134 118.688 118.700 0.203 0.000 2.882 383 N HA -0.168 4.572 4.740 -0.000 0.000 0.249 383 N C -0.768 174.654 175.510 -0.147 0.000 1.079 383 N CA 0.629 53.717 53.050 0.064 0.000 0.800 383 N CB -1.798 36.626 38.487 -0.104 0.000 1.124 383 N HN 0.213 nan 8.380 nan 0.000 0.557 384 F N 1.341 121.302 119.950 0.018 0.000 2.371 384 F HA 0.338 4.865 4.527 -0.000 0.000 0.329 384 F C 1.833 177.619 175.800 -0.023 0.000 1.107 384 F CA -0.308 57.686 58.000 -0.011 0.000 1.137 384 F CB 0.775 39.743 39.000 -0.054 0.000 1.214 384 F HN 0.067 nan 8.300 nan 0.000 0.536 385 N N 0.420 119.239 118.700 0.198 0.000 2.118 385 N HA 0.406 5.146 4.740 -0.000 0.000 0.226 385 N C -0.872 174.701 175.510 0.105 0.000 1.305 385 N CA 0.063 53.163 53.050 0.084 0.000 0.890 385 N CB 0.703 39.281 38.487 0.151 0.000 1.118 385 N HN 0.472 nan 8.380 nan 0.000 0.511 386 A N -0.349 122.598 122.820 0.211 0.000 2.606 386 A HA 0.769 5.089 4.320 -0.000 0.000 0.293 386 A C -1.705 176.100 177.584 0.369 0.000 1.082 386 A CA -0.607 51.613 52.037 0.304 0.000 0.685 386 A CB 1.789 21.017 19.000 0.379 0.000 1.284 386 A HN 0.365 nan 8.150 nan 0.000 0.408 387 V N 0.965 121.119 119.914 0.402 0.000 2.971 387 V HA 0.832 4.952 4.120 -0.000 0.000 0.309 387 V C -0.828 175.352 176.094 0.143 0.000 1.130 387 V CA -0.741 61.744 62.300 0.308 0.000 0.964 387 V CB 1.947 33.841 31.823 0.119 0.000 1.029 387 V HN 1.173 nan 8.190 nan 0.000 0.427 388 R N 4.709 125.125 120.500 -0.141 0.000 2.387 388 R HA 0.497 4.837 4.340 -0.000 0.000 0.314 388 R C -0.765 175.369 176.300 -0.277 0.000 0.958 388 R CA -0.476 55.387 56.100 -0.394 0.000 0.846 388 R CB 1.158 30.944 30.300 -0.858 0.000 1.147 388 R HN 0.855 nan 8.270 nan 0.000 0.447 389 C N 4.342 123.519 119.300 -0.206 0.000 3.329 389 C HA 0.100 4.560 4.460 -0.000 0.000 0.537 389 C C 0.516 175.210 174.990 -0.493 0.000 1.034 389 C CA -0.453 58.397 59.018 -0.280 0.000 1.086 389 C CB -2.178 25.507 27.740 -0.091 0.000 1.392 389 C HN 0.700 nan 8.230 nan 0.000 0.612 390 S N 1.473 116.760 115.700 -0.689 0.000 2.465 390 S HA 0.167 4.637 4.470 -0.000 0.000 0.280 390 S C -0.123 173.614 174.600 -1.438 0.000 1.232 390 S CA 0.153 57.669 58.200 -1.141 0.000 1.066 390 S CB 0.067 62.496 63.200 -1.285 0.000 0.929 390 S HN 0.738 nan 8.310 nan 0.000 0.494 391 H N 3.491 121.936 119.070 -1.042 0.000 2.597 391 H HA 0.302 4.858 4.556 -0.000 0.000 0.225 391 H C -1.179 173.997 175.328 -0.253 0.000 1.422 391 H CA -0.364 55.443 56.048 -0.401 0.000 1.335 391 H CB -0.054 29.682 29.762 -0.042 0.000 1.783 391 H HN 0.895 nan 8.280 nan 0.000 0.513 392 Y N -2.671 117.740 120.300 0.184 0.000 2.841 392 Y HA 0.378 4.928 4.550 -0.000 0.000 0.373 392 Y C -3.328 172.681 175.900 0.181 0.000 1.170 392 Y CA -2.901 55.313 58.100 0.189 0.000 1.196 392 Y CB -0.064 38.513 38.460 0.194 0.000 1.433 392 Y HN -0.081 nan 8.280 nan 0.000 0.479 393 P HA 0.187 nan 4.420 nan 0.000 0.271 393 P C -0.688 176.922 177.300 0.517 0.000 1.216 393 P CA 0.131 63.501 63.100 0.449 0.000 0.776 393 P CB 0.648 32.540 31.700 0.320 0.000 0.881 394 N N 0.297 119.314 118.700 0.528 0.000 2.478 394 N HA 0.103 4.843 4.740 -0.000 0.000 0.275 394 N C 0.047 175.817 175.510 0.434 0.000 1.221 394 N CA -0.609 52.659 53.050 0.362 0.000 0.979 394 N CB 0.415 38.884 38.487 -0.031 0.000 1.202 394 N HN 0.595 nan 8.380 nan 0.000 0.564 395 H N 1.966 121.153 119.070 0.195 0.000 3.034 395 H HA 0.007 4.563 4.556 -0.000 0.000 0.324 395 H C -1.747 173.792 175.328 0.351 0.000 1.015 395 H CA -0.822 55.344 56.048 0.198 0.000 1.429 395 H CB 0.985 30.814 29.762 0.112 0.000 1.429 395 H HN 0.411 nan 8.280 nan 0.000 0.585 396 P HA -0.227 nan 4.420 nan 0.000 0.217 396 P C 1.847 179.488 177.300 0.569 0.000 1.151 396 P CA 0.845 64.188 63.100 0.404 0.000 0.849 396 P CB 0.166 31.897 31.700 0.051 0.000 0.787 397 L N -1.219 120.428 121.223 0.707 0.000 2.131 397 L HA -0.080 4.260 4.340 -0.000 0.000 0.210 397 L C 2.317 179.427 176.870 0.400 0.000 1.092 397 L CA 1.478 56.623 54.840 0.509 0.000 0.759 397 L CB -1.418 40.928 42.059 0.480 0.000 0.903 397 L HN 0.060 nan 8.230 nan 0.000 0.435 398 W N -0.264 121.136 121.300 0.167 0.000 2.302 398 W HA -0.395 4.265 4.660 -0.000 0.000 0.320 398 W C 2.209 178.636 176.519 -0.153 0.000 1.241 398 W CA 2.204 59.496 57.345 -0.089 0.000 1.264 398 W CB -0.489 28.786 29.460 -0.309 0.000 1.154 398 W HN 0.283 nan 8.180 nan 0.000 0.483 399 Y N 0.633 120.891 120.300 -0.071 0.000 2.207 399 Y HA -0.243 4.307 4.550 -0.000 0.000 0.287 399 Y C 2.848 178.531 175.900 -0.362 0.000 1.156 399 Y CA 2.140 59.963 58.100 -0.462 0.000 1.182 399 Y CB -1.426 36.465 38.460 -0.949 0.000 0.979 399 Y HN -0.173 nan 8.280 nan 0.000 0.521 400 T N 0.582 115.174 114.554 0.064 0.000 2.777 400 T HA -0.134 4.216 4.350 -0.000 0.000 0.266 400 T C 2.047 176.786 174.700 0.065 0.000 1.040 400 T CA 1.272 63.464 62.100 0.153 0.000 1.141 400 T CB -0.548 68.459 68.868 0.232 0.000 0.868 400 T HN 0.223 nan 8.240 nan 0.000 0.444 401 L N 0.507 121.745 121.223 0.024 0.000 2.012 401 L HA -0.160 4.180 4.340 -0.000 0.000 0.210 401 L C 2.906 179.780 176.870 0.006 0.000 1.073 401 L CA 1.138 56.016 54.840 0.063 0.000 0.748 401 L CB -0.803 41.257 42.059 0.001 0.000 0.891 401 L HN 0.387 nan 8.230 nan 0.000 0.431 402 C N -0.359 118.769 119.300 -0.285 0.000 2.425 402 C HA -0.155 4.305 4.460 -0.000 0.000 0.277 402 C C 2.426 177.436 174.990 0.033 0.000 1.280 402 C CA 0.392 59.259 59.018 -0.252 0.000 1.744 402 C CB -0.868 26.595 27.740 -0.462 0.000 1.989 402 C HN 0.543 nan 8.230 nan 0.000 0.491 403 D N 0.492 120.911 120.400 0.033 0.000 2.117 403 D HA -0.099 4.541 4.640 -0.000 0.000 0.197 403 D C 2.408 178.873 176.300 0.275 0.000 0.987 403 D CA 1.159 55.242 54.000 0.138 0.000 0.829 403 D CB -0.339 40.511 40.800 0.084 0.000 0.961 403 D HN 0.575 nan 8.370 nan 0.000 0.460 404 R N -0.749 119.820 120.500 0.114 0.000 2.075 404 R HA -0.022 4.318 4.340 -0.000 0.000 0.226 404 R C 2.267 178.496 176.300 -0.119 0.000 1.114 404 R CA 0.593 56.689 56.100 -0.008 0.000 0.972 404 R CB -0.367 29.847 30.300 -0.144 0.000 0.869 404 R HN 0.305 nan 8.270 nan 0.000 0.437 405 Y N 0.411 120.726 120.300 0.025 0.000 2.337 405 Y HA 0.093 4.643 4.550 -0.000 0.000 0.293 405 Y C 1.078 176.908 175.900 -0.116 0.000 1.123 405 Y CA 0.919 59.002 58.100 -0.029 0.000 1.201 405 Y CB 0.472 38.884 38.460 -0.079 0.000 1.011 405 Y HN 0.309 nan 8.280 nan 0.000 0.545 406 G N 1.111 109.939 108.800 0.047 0.000 2.858 406 G HA2 -0.133 3.827 3.960 -0.000 0.000 0.272 406 G HA3 -0.133 3.827 3.960 -0.000 0.000 0.272 406 G C -1.172 173.559 174.900 -0.281 0.000 1.003 406 G CA -0.592 44.397 45.100 -0.185 0.000 1.241 406 G HN 0.147 nan 8.290 nan 0.000 0.569 407 L N 1.036 122.164 121.223 -0.157 0.000 2.464 407 L HA 0.465 4.805 4.340 -0.000 0.000 0.266 407 L C 0.008 176.834 176.870 -0.073 0.000 0.965 407 L CA -1.265 53.433 54.840 -0.237 0.000 0.833 407 L CB 1.996 43.942 42.059 -0.188 0.000 1.296 407 L HN 0.457 nan 8.230 nan 0.000 0.405 408 Y N 2.079 122.475 120.300 0.159 0.000 2.411 408 Y HA 0.373 4.923 4.550 -0.000 0.000 0.333 408 Y C 0.275 176.265 175.900 0.150 0.000 1.186 408 Y CA -0.586 57.635 58.100 0.202 0.000 1.381 408 Y CB 1.138 39.707 38.460 0.182 0.000 1.273 408 Y HN 0.155 nan 8.280 nan 0.000 0.546 409 V N 3.627 123.702 119.914 0.268 0.000 2.735 409 V HA 0.374 4.494 4.120 -0.000 0.000 0.310 409 V C -0.711 175.440 176.094 0.096 0.000 1.061 409 V CA -1.052 61.343 62.300 0.158 0.000 0.913 409 V CB 2.023 33.895 31.823 0.082 0.000 1.005 409 V HN 0.454 nan 8.190 nan 0.000 0.428 410 V N 2.595 122.545 119.914 0.061 0.000 2.328 410 V HA 0.358 4.478 4.120 -0.000 0.000 0.278 410 V C -0.388 175.732 176.094 0.044 0.000 1.021 410 V CA -0.409 61.889 62.300 -0.004 0.000 0.838 410 V CB 1.425 33.173 31.823 -0.126 0.000 0.999 410 V HN 0.878 nan 8.190 nan 0.000 0.447 411 D N 4.021 124.478 120.400 0.095 0.000 2.264 411 D HA 0.316 4.956 4.640 -0.000 0.000 0.250 411 D C -0.216 176.255 176.300 0.286 0.000 1.113 411 D CA 0.038 54.189 54.000 0.253 0.000 0.871 411 D CB 1.294 42.291 40.800 0.329 0.000 1.167 411 D HN 0.710 nan 8.370 nan 0.000 0.447 412 E N 1.711 122.056 120.200 0.242 0.000 2.248 412 E HA 0.616 4.966 4.350 -0.000 0.000 0.267 412 E C -1.131 175.607 176.600 0.231 0.000 0.877 412 E CA -1.074 55.457 56.400 0.218 0.000 0.759 412 E CB 1.418 31.198 29.700 0.132 0.000 1.182 412 E HN 0.451 nan 8.360 nan 0.000 0.418 413 A N 3.646 126.598 122.820 0.220 0.000 2.445 413 A HA 0.078 4.398 4.320 -0.000 0.000 0.242 413 A C 0.337 178.048 177.584 0.211 0.000 1.075 413 A CA -0.274 51.875 52.037 0.188 0.000 0.777 413 A CB 0.173 19.251 19.000 0.130 0.000 1.013 413 A HN 0.685 nan 8.150 nan 0.000 0.493 414 N N 1.470 120.304 118.700 0.223 0.000 2.892 414 N HA 0.193 4.933 4.740 -0.000 0.000 0.300 414 N C -0.920 174.718 175.510 0.214 0.000 1.211 414 N CA 0.280 53.491 53.050 0.269 0.000 1.158 414 N CB -0.901 37.753 38.487 0.278 0.000 1.455 414 N HN 0.469 nan 8.380 nan 0.000 0.524 415 I N 0.671 121.360 120.570 0.199 0.000 2.534 415 I HA 0.270 4.440 4.170 -0.000 0.000 0.286 415 I C -0.621 175.590 176.117 0.156 0.000 1.094 415 I CA -0.688 60.710 61.300 0.163 0.000 1.055 415 I CB 1.974 40.045 38.000 0.118 0.000 1.225 415 I HN 0.215 nan 8.210 nan 0.000 0.435 416 E N 4.188 124.477 120.200 0.149 0.000 2.278 416 E HA 0.414 4.764 4.350 -0.000 0.000 0.272 416 E C -0.530 176.142 176.600 0.120 0.000 0.890 416 E CA -0.438 56.024 56.400 0.104 0.000 0.770 416 E CB 1.863 31.601 29.700 0.062 0.000 1.212 416 E HN 0.671 nan 8.360 nan 0.000 0.415 417 T N 0.536 115.153 114.554 0.105 0.000 3.380 417 T HA 0.138 4.488 4.350 -0.000 0.000 0.289 417 T C 0.972 175.735 174.700 0.106 0.000 1.012 417 T CA -0.286 61.902 62.100 0.147 0.000 0.944 417 T CB -0.329 68.595 68.868 0.093 0.000 1.172 417 T HN 0.679 nan 8.240 nan 0.000 0.502 418 H N 1.189 120.190 119.070 -0.116 0.000 2.362 418 H HA -0.133 4.423 4.556 -0.000 0.000 0.294 418 H C 2.264 177.469 175.328 -0.205 0.000 1.113 418 H CA 1.442 57.387 56.048 -0.171 0.000 1.253 418 H CB -0.234 29.399 29.762 -0.215 0.000 1.363 418 H HN 0.576 nan 8.280 nan 0.000 0.494 419 G N 0.230 108.868 108.800 -0.270 0.000 2.650 419 G HA2 -0.041 3.919 3.960 -0.000 0.000 0.214 419 G HA3 -0.041 3.919 3.960 -0.000 0.000 0.214 419 G C 0.644 175.625 174.900 0.135 0.000 1.136 419 G CA -0.141 44.819 45.100 -0.232 0.000 0.789 419 G HN 0.148 nan 8.290 nan 0.000 0.536 420 M N 0.151 119.883 119.600 0.219 0.000 2.131 420 M HA 0.314 4.794 4.480 -0.000 0.000 0.283 420 M C -0.314 176.021 176.300 0.058 0.000 1.225 420 M CA 0.144 55.536 55.300 0.154 0.000 1.153 420 M CB 1.083 33.729 32.600 0.077 0.000 1.380 420 M HN -0.161 nan 8.290 nan 0.000 0.458 421 V N 2.159 122.086 119.914 0.021 0.000 2.653 421 V HA 0.296 4.416 4.120 -0.000 0.000 0.298 421 V C -2.113 173.973 176.094 -0.014 0.000 1.097 421 V CA -1.310 60.990 62.300 0.000 0.000 0.908 421 V CB 1.934 33.755 31.823 -0.004 0.000 1.024 421 V HN 0.748 nan 8.190 nan 0.000 0.435 422 P HA 0.214 nan 4.420 nan 0.000 0.273 422 P C 1.134 178.435 177.300 0.001 0.000 1.250 422 P CA -0.457 62.639 63.100 -0.007 0.000 0.793 422 P CB 0.858 32.556 31.700 -0.004 0.000 1.011 423 M N 0.888 120.495 119.600 0.012 0.000 2.255 423 M HA -0.233 4.247 4.480 -0.000 0.000 0.259 423 M C 1.089 177.407 176.300 0.029 0.000 1.071 423 M CA 2.162 57.479 55.300 0.029 0.000 1.074 423 M CB -0.420 32.195 32.600 0.025 0.000 1.384 423 M HN 0.399 nan 8.290 nan 0.000 0.415 424 N N -0.260 118.453 118.700 0.023 0.000 2.251 424 N HA -0.040 4.699 4.740 -0.000 0.000 0.217 424 N C 1.054 176.530 175.510 -0.057 0.000 1.124 424 N CA 0.074 53.132 53.050 0.013 0.000 0.843 424 N CB -0.593 37.924 38.487 0.050 0.000 1.024 424 N HN 0.349 nan 8.380 nan 0.000 0.501 425 R N 0.616 121.072 120.500 -0.074 0.000 2.134 425 R HA -0.090 4.250 4.340 -0.000 0.000 0.248 425 R C 1.549 177.728 176.300 -0.201 0.000 1.143 425 R CA 1.889 57.920 56.100 -0.115 0.000 0.957 425 R CB -0.160 30.070 30.300 -0.117 0.000 0.867 425 R HN 0.327 nan 8.270 nan 0.000 0.441 426 L N -0.992 120.044 121.223 -0.311 0.000 2.168 426 L HA 0.004 4.344 4.340 -0.000 0.000 0.203 426 L C 2.477 179.164 176.870 -0.305 0.000 1.078 426 L CA 1.284 55.810 54.840 -0.523 0.000 0.780 426 L CB -0.772 40.696 42.059 -0.985 0.000 0.939 426 L HN 0.366 nan 8.230 nan 0.000 0.451 427 T N -3.658 110.755 114.554 -0.235 0.000 2.897 427 T HA -0.209 4.141 4.350 -0.000 0.000 0.271 427 T C 1.242 175.820 174.700 -0.204 0.000 1.084 427 T CA 1.441 63.383 62.100 -0.263 0.000 1.123 427 T CB -0.352 68.327 68.868 -0.315 0.000 0.865 427 T HN 0.133 nan 8.240 nan 0.000 0.496 428 D N 1.308 121.629 120.400 -0.131 0.000 2.342 428 D HA 0.138 4.778 4.640 -0.000 0.000 0.221 428 D C -0.493 175.777 176.300 -0.051 0.000 1.101 428 D CA -0.224 53.719 54.000 -0.094 0.000 0.837 428 D CB -0.031 40.725 40.800 -0.073 0.000 0.938 428 D HN 0.342 nan 8.370 nan 0.000 0.508 429 D N -0.594 119.791 120.400 -0.026 0.000 2.481 429 D HA 0.187 4.827 4.640 -0.000 0.000 0.246 429 D C -1.829 174.537 176.300 0.109 0.000 1.109 429 D CA -2.320 51.715 54.000 0.057 0.000 0.845 429 D CB 2.236 43.108 40.800 0.120 0.000 1.160 429 D HN -0.149 nan 8.370 nan 0.000 0.534 430 P HA -0.186 nan 4.420 nan 0.000 0.216 430 P C 1.105 178.415 177.300 0.016 0.000 1.154 430 P CA 1.250 64.362 63.100 0.021 0.000 0.865 430 P CB 0.170 31.871 31.700 0.001 0.000 0.789 431 R N -1.800 118.715 120.500 0.025 0.000 2.211 431 R HA -0.143 4.197 4.340 -0.000 0.000 0.240 431 R C 1.771 177.927 176.300 -0.240 0.000 1.144 431 R CA 1.459 57.492 56.100 -0.110 0.000 0.992 431 R CB -0.832 29.375 30.300 -0.155 0.000 0.869 431 R HN 0.365 nan 8.270 nan 0.000 0.462 432 W N -0.042 121.199 121.300 -0.098 0.000 3.278 432 W HA 0.147 4.807 4.660 -0.000 0.000 0.308 432 W C 1.586 178.043 176.519 -0.103 0.000 1.253 432 W CA -0.603 56.683 57.345 -0.099 0.000 1.759 432 W CB -0.033 29.363 29.460 -0.106 0.000 1.093 432 W HN -0.002 nan 8.180 nan 0.000 0.648 433 L N 2.380 123.650 121.223 0.077 0.000 2.042 433 L HA -0.078 4.262 4.340 -0.000 0.000 0.210 433 L C -0.749 176.093 176.870 -0.047 0.000 1.076 433 L CA 2.307 57.145 54.840 -0.002 0.000 0.749 433 L CB -1.690 40.354 42.059 -0.025 0.000 0.893 433 L HN -0.230 nan 8.230 nan 0.000 0.432 434 P HA -0.105 nan 4.420 nan 0.000 0.215 434 P C 1.663 178.916 177.300 -0.080 0.000 1.157 434 P CA 2.076 65.120 63.100 -0.092 0.000 0.863 434 P CB -0.252 31.384 31.700 -0.105 0.000 0.787 435 A N -0.342 122.445 122.820 -0.055 0.000 1.873 435 A HA -0.241 4.079 4.320 -0.000 0.000 0.218 435 A C 2.296 179.890 177.584 0.017 0.000 1.193 435 A CA 2.312 54.348 52.037 -0.002 0.000 0.629 435 A CB -1.642 17.405 19.000 0.078 0.000 0.826 435 A HN 0.075 nan 8.150 nan 0.000 0.447 436 M N -0.172 119.450 119.600 0.036 0.000 2.108 436 M HA -0.184 4.296 4.480 -0.000 0.000 0.261 436 M C 2.601 178.851 176.300 -0.084 0.000 1.066 436 M CA 1.918 57.213 55.300 -0.009 0.000 1.107 436 M CB -0.565 32.010 32.600 -0.043 0.000 1.356 436 M HN 0.689 nan 8.290 nan 0.000 0.406 437 S N 0.531 116.156 115.700 -0.124 0.000 2.365 437 S HA -0.221 4.249 4.470 -0.000 0.000 0.225 437 S C 1.696 176.139 174.600 -0.262 0.000 1.039 437 S CA 1.715 59.779 58.200 -0.227 0.000 1.033 437 S CB -0.416 62.642 63.200 -0.237 0.000 0.887 437 S HN 0.488 nan 8.310 nan 0.000 0.447 438 E N 0.648 120.743 120.200 -0.176 0.000 2.110 438 E HA -0.136 4.214 4.350 -0.000 0.000 0.193 438 E C 2.454 178.975 176.600 -0.131 0.000 0.988 438 E CA 1.012 57.318 56.400 -0.157 0.000 0.804 438 E CB -0.224 29.418 29.700 -0.096 0.000 0.745 438 E HN 0.582 nan 8.360 nan 0.000 0.458 439 R N 0.172 120.623 120.500 -0.083 0.000 2.120 439 R HA -0.106 4.234 4.340 -0.000 0.000 0.234 439 R C 2.348 178.608 176.300 -0.067 0.000 1.123 439 R CA 0.917 56.996 56.100 -0.036 0.000 0.975 439 R CB -0.015 30.297 30.300 0.021 0.000 0.866 439 R HN 0.019 nan 8.270 nan 0.000 0.446 440 V N -0.001 119.826 119.914 -0.145 0.000 2.426 440 V HA -0.174 3.946 4.120 -0.000 0.000 0.242 440 V C 2.356 178.297 176.094 -0.255 0.000 1.036 440 V CA 2.009 64.210 62.300 -0.165 0.000 1.044 440 V CB -0.394 31.316 31.823 -0.188 0.000 0.688 440 V HN 0.513 nan 8.190 nan 0.000 0.462 441 T N -0.217 114.066 114.554 -0.451 0.000 2.665 441 T HA -0.309 4.041 4.350 -0.000 0.000 0.268 441 T C 1.945 176.516 174.700 -0.215 0.000 1.035 441 T CA 1.770 63.544 62.100 -0.544 0.000 1.151 441 T CB -0.486 67.954 68.868 -0.714 0.000 0.862 441 T HN 0.402 nan 8.240 nan 0.000 0.438 442 R N 0.463 120.852 120.500 -0.184 0.000 2.081 442 R HA 0.074 4.414 4.340 -0.000 0.000 0.235 442 R C 2.718 178.955 176.300 -0.106 0.000 1.131 442 R CA 1.635 57.661 56.100 -0.124 0.000 0.960 442 R CB -0.544 29.691 30.300 -0.108 0.000 0.856 442 R HN 0.487 nan 8.270 nan 0.000 0.436 443 M N 0.813 120.360 119.600 -0.090 0.000 2.080 443 M HA -0.183 4.297 4.480 -0.000 0.000 0.260 443 M C 2.009 178.252 176.300 -0.094 0.000 1.068 443 M CA 1.748 57.022 55.300 -0.044 0.000 1.109 443 M CB -0.034 32.579 32.600 0.022 0.000 1.342 443 M HN -0.019 nan 8.290 nan 0.000 0.405 444 V N 0.739 120.503 119.914 -0.250 0.000 2.332 444 V HA -0.316 3.804 4.120 -0.000 0.000 0.248 444 V C 2.318 178.302 176.094 -0.184 0.000 1.055 444 V CA 2.184 64.209 62.300 -0.459 0.000 1.038 444 V CB -0.965 30.570 31.823 -0.480 0.000 0.651 444 V HN 0.599 nan 8.190 nan 0.000 0.450 445 Q N -0.752 118.978 119.800 -0.116 0.000 2.135 445 Q HA -0.242 4.098 4.340 -0.000 0.000 0.204 445 Q C 2.513 178.440 176.000 -0.123 0.000 0.981 445 Q CA 1.787 57.537 55.803 -0.089 0.000 0.856 445 Q CB -0.161 28.547 28.738 -0.051 0.000 0.902 445 Q HN 0.540 nan 8.270 nan 0.000 0.425 446 R N 0.102 120.522 120.500 -0.134 0.000 2.075 446 R HA -0.094 4.246 4.340 -0.000 0.000 0.226 446 R C 0.584 176.804 176.300 -0.133 0.000 1.114 446 R CA 1.406 57.399 56.100 -0.177 0.000 0.972 446 R CB 0.366 30.560 30.300 -0.176 0.000 0.869 446 R HN 0.147 nan 8.270 nan 0.000 0.437 447 D N -0.187 120.200 120.400 -0.022 0.000 2.369 447 D HA -0.009 4.631 4.640 -0.000 0.000 0.211 447 D C 1.406 177.806 176.300 0.167 0.000 1.077 447 D CA 0.176 54.212 54.000 0.060 0.000 0.842 447 D CB 0.297 41.105 40.800 0.014 0.000 0.947 447 D HN 0.325 nan 8.370 nan 0.000 0.509 448 R N 0.809 121.419 120.500 0.185 0.000 2.303 448 R HA -0.002 4.338 4.340 -0.000 0.000 0.225 448 R C 0.994 177.283 176.300 -0.019 0.000 1.114 448 R CA 1.096 57.318 56.100 0.204 0.000 1.007 448 R CB -0.420 29.967 30.300 0.145 0.000 0.861 448 R HN -0.029 nan 8.270 nan 0.000 0.471 449 N N 0.285 118.888 118.700 -0.162 0.000 2.412 449 N HA -0.033 4.707 4.740 -0.000 0.000 0.184 449 N C -0.407 174.956 175.510 -0.245 0.000 1.101 449 N CA 0.253 53.161 53.050 -0.235 0.000 0.881 449 N CB 0.060 38.357 38.487 -0.317 0.000 0.969 449 N HN 0.369 nan 8.380 nan 0.000 0.459 450 H N 1.575 120.560 119.070 -0.142 0.000 2.742 450 H HA 0.096 4.652 4.556 -0.000 0.000 0.302 450 H C -1.202 173.962 175.328 -0.274 0.000 1.069 450 H CA -1.204 54.742 56.048 -0.171 0.000 1.446 450 H CB 1.539 31.237 29.762 -0.107 0.000 1.462 450 H HN 0.030 nan 8.280 nan 0.000 0.499 451 P HA -0.154 nan 4.420 nan 0.000 0.218 451 P C 1.384 178.265 177.300 -0.698 0.000 1.148 451 P CA 1.165 63.921 63.100 -0.574 0.000 0.822 451 P CB 0.213 31.319 31.700 -0.990 0.000 0.784 452 S N -1.312 114.048 115.700 -0.566 0.000 2.447 452 S HA -0.013 4.457 4.470 -0.000 0.000 0.233 452 S C 1.052 175.615 174.600 -0.061 0.000 1.006 452 S CA 0.168 58.211 58.200 -0.262 0.000 0.957 452 S CB -1.310 61.855 63.200 -0.058 0.000 0.773 452 S HN -0.070 nan 8.310 nan 0.000 0.507 453 V N 3.478 123.316 119.914 -0.127 0.000 2.470 453 V HA 0.262 4.382 4.120 -0.000 0.000 0.276 453 V C 0.984 176.929 176.094 -0.248 0.000 1.040 453 V CA -0.078 62.113 62.300 -0.181 0.000 1.008 453 V CB 0.613 32.234 31.823 -0.337 0.000 0.990 453 V HN 0.627 nan 8.190 nan 0.000 0.477 454 I N 2.662 123.128 120.570 -0.173 0.000 4.327 454 I HA 0.526 4.696 4.170 -0.000 0.000 0.331 454 I C 0.240 176.231 176.117 -0.210 0.000 1.348 454 I CA 0.336 61.542 61.300 -0.157 0.000 1.152 454 I CB 0.495 38.481 38.000 -0.023 0.000 1.151 454 I HN 0.311 nan 8.210 nan 0.000 0.410 455 I N 0.246 120.663 120.570 -0.254 0.000 2.752 455 I HA 0.369 4.539 4.170 -0.000 0.000 0.295 455 I C -1.626 174.372 176.117 -0.199 0.000 1.219 455 I CA -0.434 60.760 61.300 -0.177 0.000 1.030 455 I CB 2.167 40.162 38.000 -0.009 0.000 1.259 455 I HN 0.014 nan 8.210 nan 0.000 0.423 456 W N 3.549 124.894 121.300 0.075 0.000 2.496 456 W HA 0.637 5.297 4.660 -0.000 0.000 0.327 456 W C 0.311 176.893 176.519 0.105 0.000 1.086 456 W CA -0.703 56.693 57.345 0.085 0.000 1.222 456 W CB 1.724 31.228 29.460 0.074 0.000 1.304 456 W HN 0.309 nan 8.180 nan 0.000 0.547 457 S N 2.898 118.828 115.700 0.383 0.000 2.532 457 S HA 0.390 4.860 4.470 -0.000 0.000 0.299 457 S C 0.250 175.020 174.600 0.283 0.000 1.105 457 S CA -0.710 57.665 58.200 0.291 0.000 1.018 457 S CB 0.814 64.139 63.200 0.208 0.000 1.021 457 S HN 0.595 nan 8.310 nan 0.000 0.483 458 L N 4.100 125.488 121.223 0.275 0.000 2.610 458 L HA 0.317 4.657 4.340 -0.000 0.000 0.232 458 L C 1.425 178.390 176.870 0.159 0.000 1.149 458 L CA 0.577 55.516 54.840 0.165 0.000 0.872 458 L CB -1.218 40.845 42.059 0.007 0.000 0.992 458 L HN 0.998 nan 8.230 nan 0.000 0.447 459 G N -0.004 108.961 108.800 0.274 0.000 2.250 459 G HA2 -0.099 3.861 3.960 -0.000 0.000 0.252 459 G HA3 -0.099 3.861 3.960 -0.000 0.000 0.252 459 G C -1.661 173.431 174.900 0.320 0.000 1.325 459 G CA -0.528 44.728 45.100 0.262 0.000 1.091 459 G HN 0.183 nan 8.290 nan 0.000 0.476 460 N N 0.185 119.025 118.700 0.234 0.000 2.504 460 N HA 0.438 5.178 4.740 -0.000 0.000 0.268 460 N C -0.530 174.944 175.510 -0.060 0.000 1.184 460 N CA 0.149 53.195 53.050 -0.007 0.000 0.875 460 N CB 1.397 39.620 38.487 -0.441 0.000 1.630 460 N HN 0.948 nan 8.380 nan 0.000 0.486 461 E N 0.720 120.791 120.200 -0.216 0.000 2.131 461 E HA -0.198 4.152 4.350 -0.000 0.000 0.166 461 E C -0.840 175.691 176.600 -0.115 0.000 1.514 461 E CA 0.791 56.993 56.400 -0.330 0.000 0.646 461 E CB -1.564 27.643 29.700 -0.821 0.000 1.051 461 E HN 0.417 nan 8.360 nan 0.000 0.315 462 S N 0.054 115.831 115.700 0.128 0.000 2.941 462 S HA 0.415 4.885 4.470 -0.000 0.000 0.251 462 S C 0.762 175.534 174.600 0.287 0.000 1.029 462 S CA -0.177 58.148 58.200 0.208 0.000 1.062 462 S CB 1.405 64.776 63.200 0.285 0.000 0.977 462 S HN 0.903 nan 8.310 nan 0.000 0.552 463 G N 2.060 110.974 108.800 0.190 0.000 2.575 463 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.267 463 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.267 463 G C -0.501 174.619 174.900 0.366 0.000 1.264 463 G CA 0.020 45.233 45.100 0.190 0.000 0.935 463 G HN 0.648 nan 8.290 nan 0.000 0.568 464 H N 0.498 119.697 119.070 0.215 0.000 2.840 464 H HA 0.582 5.138 4.556 -0.000 0.000 0.340 464 H C 0.157 175.663 175.328 0.297 0.000 1.004 464 H CA 0.089 56.291 56.048 0.257 0.000 1.288 464 H CB 0.936 30.777 29.762 0.132 0.000 1.607 464 H HN 1.219 nan 8.280 nan 0.000 0.522 465 G N 1.400 110.203 108.800 0.005 0.000 2.680 465 G HA2 0.458 4.418 3.960 -0.000 0.000 0.290 465 G HA3 0.458 4.418 3.960 -0.000 0.000 0.290 465 G C 0.502 175.232 174.900 -0.283 0.000 1.355 465 G CA -0.162 44.795 45.100 -0.237 0.000 0.903 465 G HN 0.657 nan 8.290 nan 0.000 0.474 466 A N 0.372 123.073 122.820 -0.197 0.000 1.986 466 A HA -0.121 4.199 4.320 -0.000 0.000 0.220 466 A C 2.117 179.664 177.584 -0.061 0.000 1.171 466 A CA 2.049 54.028 52.037 -0.097 0.000 0.640 466 A CB -0.461 18.508 19.000 -0.052 0.000 0.811 466 A HN 0.549 nan 8.150 nan 0.000 0.451 467 N N -0.298 118.323 118.700 -0.133 0.000 2.205 467 N HA -0.156 4.584 4.740 -0.000 0.000 0.186 467 N C 1.372 176.819 175.510 -0.106 0.000 1.015 467 N CA 1.728 54.694 53.050 -0.141 0.000 0.862 467 N CB -0.705 37.667 38.487 -0.192 0.000 0.986 467 N HN 0.802 nan 8.380 nan 0.000 0.429 468 H N 0.487 119.511 119.070 -0.076 0.000 2.321 468 H HA -0.038 4.518 4.556 -0.000 0.000 0.300 468 H C 1.275 176.655 175.328 0.086 0.000 1.087 468 H CA 1.329 57.348 56.048 -0.048 0.000 1.319 468 H CB 0.130 29.855 29.762 -0.061 0.000 1.379 468 H HN 0.164 nan 8.280 nan 0.000 0.501 469 D N 0.497 121.042 120.400 0.242 0.000 2.104 469 D HA -0.159 4.481 4.640 -0.000 0.000 0.194 469 D C 2.301 178.749 176.300 0.248 0.000 0.994 469 D CA 1.245 55.387 54.000 0.236 0.000 0.830 469 D CB -0.561 40.347 40.800 0.181 0.000 0.959 469 D HN 0.431 nan 8.370 nan 0.000 0.452 470 A N 0.700 123.616 122.820 0.160 0.000 1.908 470 A HA -0.137 4.183 4.320 -0.000 0.000 0.218 470 A C 2.408 180.102 177.584 0.184 0.000 1.181 470 A CA 1.018 53.142 52.037 0.145 0.000 0.627 470 A CB -0.741 18.302 19.000 0.072 0.000 0.818 470 A HN 0.217 nan 8.150 nan 0.000 0.445 471 L N -2.315 119.005 121.223 0.162 0.000 2.109 471 L HA -0.131 4.209 4.340 -0.000 0.000 0.207 471 L C 2.561 179.580 176.870 0.249 0.000 1.086 471 L CA 1.476 56.412 54.840 0.161 0.000 0.760 471 L CB -0.682 41.406 42.059 0.048 0.000 0.910 471 L HN 0.599 nan 8.230 nan 0.000 0.437 472 Y N 0.910 121.296 120.300 0.143 0.000 2.081 472 Y HA -0.309 4.241 4.550 -0.000 0.000 0.280 472 Y C 2.899 178.881 175.900 0.137 0.000 1.163 472 Y CA 1.599 59.785 58.100 0.142 0.000 1.135 472 Y CB -0.206 38.337 38.460 0.139 0.000 0.970 472 Y HN -0.058 nan 8.280 nan 0.000 0.498 473 R N 0.054 120.682 120.500 0.213 0.000 2.083 473 R HA -0.253 4.087 4.340 -0.000 0.000 0.237 473 R C 2.116 178.419 176.300 0.005 0.000 1.137 473 R CA 2.049 58.200 56.100 0.086 0.000 0.951 473 R CB -1.735 28.686 30.300 0.202 0.000 0.851 473 R HN 0.681 nan 8.270 nan 0.000 0.434 474 W N 1.242 122.503 121.300 -0.065 0.000 2.318 474 W HA -0.197 4.463 4.660 -0.000 0.000 0.313 474 W C 1.963 178.391 176.519 -0.152 0.000 1.221 474 W CA 1.952 59.243 57.345 -0.090 0.000 1.266 474 W CB -0.442 28.970 29.460 -0.081 0.000 1.150 474 W HN 0.035 nan 8.180 nan 0.000 0.496 475 I N 0.650 121.205 120.570 -0.024 0.000 2.226 475 I HA -0.335 3.835 4.170 -0.000 0.000 0.245 475 I C 2.405 178.288 176.117 -0.390 0.000 1.100 475 I CA 1.337 62.450 61.300 -0.311 0.000 1.374 475 I CB -0.911 36.988 38.000 -0.169 0.000 1.057 475 I HN -0.092 nan 8.210 nan 0.000 0.413 476 K N 1.104 121.303 120.400 -0.335 0.000 2.113 476 K HA -0.140 4.180 4.320 -0.000 0.000 0.208 476 K C 2.221 178.670 176.600 -0.251 0.000 1.047 476 K CA 1.662 57.778 56.287 -0.285 0.000 0.928 476 K CB -0.590 31.729 32.500 -0.301 0.000 0.716 476 K HN 0.354 nan 8.250 nan 0.000 0.446 477 S N 0.402 115.913 115.700 -0.316 0.000 2.395 477 S HA -0.037 4.433 4.470 -0.000 0.000 0.225 477 S C 2.230 176.605 174.600 -0.375 0.000 1.027 477 S CA 0.798 58.819 58.200 -0.298 0.000 0.965 477 S CB -0.171 62.866 63.200 -0.272 0.000 0.812 477 S HN -0.013 nan 8.310 nan 0.000 0.482 478 V N 1.379 120.929 119.914 -0.607 0.000 2.488 478 V HA 0.057 4.177 4.120 -0.000 0.000 0.246 478 V C 0.380 176.237 176.094 -0.395 0.000 1.046 478 V CA 1.251 63.181 62.300 -0.616 0.000 1.053 478 V CB -0.257 30.877 31.823 -1.148 0.000 0.679 478 V HN 0.394 nan 8.190 nan 0.000 0.458 479 D N -0.880 119.324 120.400 -0.326 0.000 2.336 479 D HA 0.264 4.904 4.640 -0.000 0.000 0.248 479 D C -2.239 174.042 176.300 -0.031 0.000 1.326 479 D CA -1.656 52.269 54.000 -0.125 0.000 0.973 479 D CB 1.902 42.710 40.800 0.013 0.000 1.255 479 D HN 0.070 nan 8.370 nan 0.000 0.558 480 P HA 0.003 nan 4.420 nan 0.000 0.240 480 P C 1.201 178.518 177.300 0.028 0.000 1.190 480 P CA 0.286 63.375 63.100 -0.019 0.000 0.781 480 P CB 0.288 31.968 31.700 -0.034 0.000 0.931 481 S N -0.603 115.126 115.700 0.047 0.000 2.481 481 S HA -0.004 4.466 4.470 -0.000 0.000 0.231 481 S C 0.890 175.520 174.600 0.049 0.000 0.996 481 S CA 0.102 58.334 58.200 0.053 0.000 0.942 481 S CB -0.434 62.792 63.200 0.043 0.000 0.768 481 S HN 0.088 nan 8.310 nan 0.000 0.520 482 R N 0.825 121.374 120.500 0.082 0.000 2.725 482 R HA 0.599 4.939 4.340 -0.000 0.000 0.277 482 R C -3.210 173.155 176.300 0.109 0.000 0.987 482 R CA -2.322 53.800 56.100 0.036 0.000 0.901 482 R CB 1.439 31.651 30.300 -0.145 0.000 1.207 482 R HN 0.142 nan 8.270 nan 0.000 0.463 483 P HA 0.218 nan 4.420 nan 0.000 0.276 483 P C -0.820 176.582 177.300 0.170 0.000 1.244 483 P CA -0.525 62.639 63.100 0.105 0.000 0.801 483 P CB 0.866 32.611 31.700 0.075 0.000 1.006 484 V N 2.143 122.181 119.914 0.207 0.000 2.555 484 V HA 0.451 4.571 4.120 -0.000 0.000 0.302 484 V C 0.170 176.442 176.094 0.297 0.000 1.038 484 V CA -0.388 62.081 62.300 0.282 0.000 0.887 484 V CB 1.376 33.350 31.823 0.252 0.000 0.991 484 V HN 0.652 nan 8.190 nan 0.000 0.434 485 Q N 3.432 123.393 119.800 0.268 0.000 2.451 485 Q HA 0.820 5.160 4.340 -0.000 0.000 0.281 485 Q C -1.798 174.364 176.000 0.271 0.000 1.099 485 Q CA -0.980 54.952 55.803 0.215 0.000 0.806 485 Q CB 2.955 31.765 28.738 0.121 0.000 1.419 485 Q HN 0.651 nan 8.270 nan 0.000 0.427 486 Y N 0.128 120.447 120.300 0.032 0.000 2.357 486 Y HA 0.145 4.695 4.550 -0.000 0.000 0.319 486 Y C -0.443 175.409 175.900 -0.080 0.000 1.225 486 Y CA -0.634 57.454 58.100 -0.021 0.000 1.095 486 Y CB 2.015 40.457 38.460 -0.030 0.000 1.302 486 Y HN 0.958 nan 8.280 nan 0.000 0.429 487 E N 3.554 123.281 120.200 -0.789 0.000 2.250 487 E HA 0.113 4.463 4.350 -0.000 0.000 0.192 487 E C 0.749 176.918 176.600 -0.718 0.000 0.986 487 E CA 0.800 56.839 56.400 -0.602 0.000 0.849 487 E CB 0.186 29.648 29.700 -0.397 0.000 0.797 487 E HN 0.900 nan 8.360 nan 0.000 0.482 488 G N 0.000 107.973 108.800 -1.379 0.000 2.464 488 G HA2 0.174 4.134 3.960 -0.000 0.000 0.231 488 G HA3 0.174 4.134 3.960 -0.000 0.000 0.231 488 G C 0.789 175.552 174.900 -0.229 0.000 1.267 488 G CA 0.372 45.061 45.100 -0.684 0.000 0.863 488 G HN 0.383 nan 8.290 nan 0.000 0.559 489 G N -0.359 108.405 108.800 -0.060 0.000 2.221 489 G HA2 0.233 4.193 3.960 -0.000 0.000 0.265 489 G HA3 0.233 4.193 3.960 -0.000 0.000 0.265 489 G C 1.291 176.188 174.900 -0.004 0.000 1.041 489 G CA 1.001 46.121 45.100 0.033 0.000 0.807 489 G HN 2.636 nan 8.290 nan 0.000 0.502 490 G N -1.662 107.132 108.800 -0.010 0.000 2.229 490 G HA2 0.410 4.370 3.960 -0.000 0.000 0.189 490 G HA3 0.410 4.370 3.960 -0.000 0.000 0.189 490 G C 1.104 176.102 174.900 0.164 0.000 1.000 490 G CA 1.307 46.456 45.100 0.082 0.000 0.663 490 G HN 2.356 nan 8.290 nan 0.000 0.493 491 A N -0.222 122.590 122.820 -0.013 0.000 3.413 491 A HA -0.108 4.212 4.320 -0.000 0.000 0.268 491 A C 1.104 178.648 177.584 -0.066 0.000 1.128 491 A CA 2.658 54.641 52.037 -0.091 0.000 1.062 491 A CB -1.804 17.107 19.000 -0.148 0.000 1.121 491 A HN 2.109 nan 8.150 nan 0.000 0.895 492 D N -1.162 119.266 120.400 0.047 0.000 2.636 492 D HA 0.295 4.935 4.640 -0.000 0.000 0.270 492 D C 0.460 176.755 176.300 -0.008 0.000 1.430 492 D CA 0.824 54.862 54.000 0.063 0.000 0.796 492 D CB -1.158 39.821 40.800 0.298 0.000 1.117 492 D HN 0.839 nan 8.370 nan 0.000 0.480 493 T N -2.663 111.820 114.554 -0.118 0.000 2.698 493 T HA 0.129 4.479 4.350 -0.000 0.000 0.295 493 T C 1.624 176.197 174.700 -0.212 0.000 1.007 493 T CA 0.564 62.522 62.100 -0.236 0.000 0.980 493 T CB 1.092 69.608 68.868 -0.586 0.000 1.036 493 T HN 0.056 nan 8.240 nan 0.000 0.526 494 T N -1.570 112.844 114.554 -0.233 0.000 3.007 494 T HA 0.039 4.389 4.350 -0.000 0.000 0.270 494 T C 1.714 176.148 174.700 -0.442 0.000 1.107 494 T CA 0.881 62.851 62.100 -0.215 0.000 1.118 494 T CB -0.893 67.919 68.868 -0.093 0.000 0.889 494 T HN 0.845 nan 8.240 nan 0.000 0.506 495 A N 0.112 122.703 122.820 -0.381 0.000 2.337 495 A HA 0.451 4.771 4.320 -0.000 0.000 0.227 495 A C 1.009 178.404 177.584 -0.314 0.000 1.259 495 A CA 0.115 51.872 52.037 -0.467 0.000 0.870 495 A CB -0.223 18.774 19.000 -0.006 0.000 0.927 495 A HN 0.504 nan 8.150 nan 0.000 0.497 496 T N -1.693 112.717 114.554 -0.241 0.000 2.912 496 T HA 0.390 4.740 4.350 -0.000 0.000 0.299 496 T C -0.545 174.185 174.700 0.050 0.000 1.052 496 T CA -0.469 61.638 62.100 0.011 0.000 0.996 496 T CB 1.351 70.225 68.868 0.011 0.000 1.070 496 T HN 0.071 nan 8.240 nan 0.000 0.465 497 D N 2.534 123.041 120.400 0.179 0.000 2.348 497 D HA 0.306 4.946 4.640 -0.000 0.000 0.211 497 D C 0.277 176.615 176.300 0.062 0.000 0.998 497 D CA 0.672 54.762 54.000 0.150 0.000 0.873 497 D CB 0.397 41.313 40.800 0.193 0.000 0.925 497 D HN 0.524 nan 8.370 nan 0.000 0.524 498 I N 0.602 121.189 120.570 0.030 0.000 2.686 498 I HA 0.262 4.432 4.170 -0.000 0.000 0.295 498 I C -0.382 175.680 176.117 -0.091 0.000 1.114 498 I CA -0.947 60.336 61.300 -0.029 0.000 1.038 498 I CB 2.977 40.967 38.000 -0.016 0.000 1.238 498 I HN -0.358 nan 8.210 nan 0.000 0.420 499 I N 5.156 125.628 120.570 -0.163 0.000 2.436 499 I HA 0.097 4.267 4.170 -0.000 0.000 0.289 499 I C -0.002 175.923 176.117 -0.319 0.000 1.083 499 I CA -0.055 61.063 61.300 -0.302 0.000 1.372 499 I CB 0.165 37.890 38.000 -0.459 0.000 1.408 499 I HN 0.633 nan 8.210 nan 0.000 0.516 500 C N 5.492 124.619 119.300 -0.288 0.000 3.414 500 C HA 0.486 4.946 4.460 -0.000 0.000 0.208 500 C C -2.224 172.627 174.990 -0.231 0.000 1.422 500 C CA -2.273 56.615 59.018 -0.215 0.000 1.437 500 C CB -0.924 26.747 27.740 -0.114 0.000 1.850 500 C HN 0.399 nan 8.230 nan 0.000 0.481 501 P HA 0.372 nan 4.420 nan 0.000 0.274 501 P C -0.464 176.762 177.300 -0.124 0.000 1.256 501 P CA 0.073 63.050 63.100 -0.206 0.000 0.795 501 P CB 0.726 32.281 31.700 -0.242 0.000 1.038 502 M N -0.159 119.396 119.600 -0.075 0.000 2.181 502 M HA 0.462 4.942 4.480 -0.000 0.000 0.323 502 M C -0.943 175.332 176.300 -0.042 0.000 1.004 502 M CA -0.598 54.576 55.300 -0.210 0.000 0.941 502 M CB 1.275 33.726 32.600 -0.249 0.000 1.579 502 M HN 0.349 nan 8.290 nan 0.000 0.427 503 Y N -0.114 120.325 120.300 0.232 0.000 4.490 503 Y HA -0.214 4.336 4.550 -0.000 0.000 0.233 503 Y C 0.478 176.525 175.900 0.245 0.000 1.101 503 Y CA 0.426 58.667 58.100 0.235 0.000 2.010 503 Y CB -2.256 36.312 38.460 0.181 0.000 1.622 503 Y HN 0.988 nan 8.280 nan 0.000 0.675 504 A N 1.273 124.291 122.820 0.330 0.000 2.425 504 A HA 0.580 4.900 4.320 -0.000 0.000 0.249 504 A C 0.707 178.485 177.584 0.324 0.000 1.084 504 A CA -0.475 51.758 52.037 0.327 0.000 0.781 504 A CB 0.394 19.612 19.000 0.364 0.000 1.019 504 A HN 0.398 nan 8.150 nan 0.000 0.490 505 R N 1.567 122.194 120.500 0.212 0.000 2.577 505 R HA 0.300 4.640 4.340 -0.000 0.000 0.269 505 R C 0.981 177.252 176.300 -0.048 0.000 1.084 505 R CA -0.732 55.428 56.100 0.101 0.000 1.163 505 R CB 0.579 30.914 30.300 0.058 0.000 1.100 505 R HN 0.480 nan 8.270 nan 0.000 0.547 506 V N 0.861 120.596 119.914 -0.299 0.000 2.261 506 V HA -0.228 3.892 4.120 -0.000 0.000 0.246 506 V C 1.027 177.001 176.094 -0.201 0.000 1.047 506 V CA 1.934 64.004 62.300 -0.384 0.000 1.015 506 V CB -0.244 31.238 31.823 -0.568 0.000 0.642 506 V HN 0.780 nan 8.190 nan 0.000 0.446 507 D N -0.969 119.346 120.400 -0.141 0.000 2.474 507 D HA 0.107 4.747 4.640 -0.000 0.000 0.213 507 D C 0.624 176.905 176.300 -0.032 0.000 1.120 507 D CA 0.069 54.021 54.000 -0.080 0.000 0.836 507 D CB 0.595 41.352 40.800 -0.071 0.000 1.019 507 D HN 0.690 nan 8.370 nan 0.000 0.507 508 E N 1.186 121.375 120.200 -0.019 0.000 2.191 508 E HA 0.367 4.717 4.350 -0.000 0.000 0.274 508 E C -0.856 175.750 176.600 0.009 0.000 0.948 508 E CA -0.773 55.625 56.400 -0.004 0.000 0.802 508 E CB 1.617 31.311 29.700 -0.010 0.000 1.137 508 E HN -0.295 nan 8.360 nan 0.000 0.397 509 D N 2.343 122.745 120.400 0.003 0.000 2.225 509 D HA 0.149 4.789 4.640 -0.000 0.000 0.249 509 D C -0.607 175.590 176.300 -0.170 0.000 1.052 509 D CA -0.219 53.773 54.000 -0.014 0.000 0.909 509 D CB 1.357 42.215 40.800 0.097 0.000 1.186 509 D HN 0.407 nan 8.370 nan 0.000 0.431 510 Q N 1.573 121.158 119.800 -0.358 0.000 2.558 510 Q HA 0.267 4.607 4.340 -0.000 0.000 0.252 510 Q C -2.286 173.039 176.000 -1.125 0.000 1.015 510 Q CA -1.595 53.788 55.803 -0.701 0.000 0.720 510 Q CB 2.451 30.814 28.738 -0.625 0.000 1.215 510 Q HN 0.133 nan 8.270 nan 0.000 0.500 511 P HA 0.066 nan 4.420 nan 0.000 0.214 511 P C -0.782 176.170 177.300 -0.581 0.000 1.826 511 P CA -0.153 62.510 63.100 -0.729 0.000 0.977 511 P CB -0.545 30.932 31.700 -0.372 0.000 1.930 512 F N 2.293 122.095 119.950 -0.247 0.000 2.459 512 F HA 0.240 4.767 4.527 -0.000 0.000 0.346 512 F C -1.188 174.507 175.800 -0.176 0.000 1.128 512 F CA -2.603 55.296 58.000 -0.168 0.000 1.268 512 F CB -0.450 38.468 39.000 -0.136 0.000 1.161 512 F HN 0.045 nan 8.300 nan 0.000 0.583 513 P HA 0.064 nan 4.420 nan 0.000 0.268 513 P C 0.338 177.656 177.300 0.029 0.000 1.204 513 P CA 0.912 64.031 63.100 0.031 0.000 0.768 513 P CB 1.153 32.873 31.700 0.032 0.000 0.842 514 A N 3.018 125.841 122.820 0.005 0.000 3.292 514 A HA -0.247 4.073 4.320 -0.000 0.000 0.241 514 A C 0.687 178.271 177.584 -0.000 0.000 0.569 514 A CA 2.062 54.105 52.037 0.010 0.000 1.149 514 A CB -2.637 16.372 19.000 0.016 0.000 1.321 514 A HN 0.736 nan 8.150 nan 0.000 0.679 515 V N -3.725 116.189 119.914 0.001 0.000 2.703 515 V HA 0.542 4.662 4.120 -0.000 0.000 0.290 515 V C -2.640 173.456 176.094 0.004 0.000 1.035 515 V CA -1.103 61.196 62.300 -0.002 0.000 1.185 515 V CB 0.824 32.660 31.823 0.022 0.000 1.178 515 V HN 0.444 nan 8.190 nan 0.000 0.562 516 P HA 0.342 nan 4.420 nan 0.000 0.272 516 P C -0.712 176.118 177.300 -0.785 0.000 1.230 516 P CA 0.091 62.809 63.100 -0.636 0.000 0.788 516 P CB 0.990 31.918 31.700 -1.287 0.000 0.949 517 K N 1.912 121.871 120.400 -0.736 0.000 2.464 517 K HA 0.234 4.554 4.320 -0.000 0.000 0.252 517 K C -0.517 175.789 176.600 -0.489 0.000 1.000 517 K CA -0.263 55.785 56.287 -0.399 0.000 0.951 517 K CB 0.698 33.254 32.500 0.094 0.000 1.183 517 K HN 0.488 nan 8.250 nan 0.000 0.445 518 W N 1.584 122.623 121.300 -0.435 0.000 2.126 518 W HA 0.046 4.706 4.660 -0.000 0.000 0.346 518 W C 1.346 177.892 176.519 0.045 0.000 1.279 518 W CA -0.672 56.506 57.345 -0.278 0.000 1.259 518 W CB 0.533 29.669 29.460 -0.539 0.000 1.133 518 W HN 0.441 nan 8.180 nan 0.000 0.592 519 S N 3.202 119.071 115.700 0.282 0.000 2.558 519 S HA -0.077 4.393 4.470 -0.000 0.000 0.288 519 S C 1.081 175.831 174.600 0.249 0.000 1.318 519 S CA -0.209 58.094 58.200 0.172 0.000 1.056 519 S CB 0.286 63.519 63.200 0.055 0.000 0.853 519 S HN 0.554 nan 8.310 nan 0.000 0.505 520 I N 1.103 121.776 120.570 0.171 0.000 2.454 520 I HA -0.160 4.010 4.170 -0.000 0.000 0.254 520 I C 1.855 177.988 176.117 0.027 0.000 1.156 520 I CA 1.109 62.508 61.300 0.166 0.000 1.433 520 I CB -0.573 37.457 38.000 0.051 0.000 1.082 520 I HN 0.664 nan 8.210 nan 0.000 0.432 521 K N 2.137 122.458 120.400 -0.133 0.000 2.097 521 K HA -0.173 4.147 4.320 -0.000 0.000 0.205 521 K C 2.152 178.728 176.600 -0.039 0.000 1.050 521 K CA 1.607 57.739 56.287 -0.258 0.000 0.938 521 K CB -0.338 31.896 32.500 -0.442 0.000 0.718 521 K HN 0.440 nan 8.250 nan 0.000 0.442 522 K N 0.699 121.103 120.400 0.007 0.000 2.103 522 K HA -0.150 4.170 4.320 -0.000 0.000 0.204 522 K C 1.924 178.525 176.600 0.002 0.000 1.052 522 K CA 0.678 56.952 56.287 -0.023 0.000 0.945 522 K CB -0.091 32.366 32.500 -0.073 0.000 0.722 522 K HN 0.195 nan 8.250 nan 0.000 0.443 523 W N 2.038 123.297 121.300 -0.068 0.000 2.321 523 W HA -0.208 4.452 4.660 -0.000 0.000 0.306 523 W C 1.551 178.029 176.519 -0.068 0.000 1.217 523 W CA 1.295 58.609 57.345 -0.051 0.000 1.257 523 W CB -0.575 28.955 29.460 0.117 0.000 1.145 523 W HN 0.120 nan 8.180 nan 0.000 0.509 524 L N 0.853 122.218 121.223 0.237 0.000 2.127 524 L HA -0.255 4.085 4.340 -0.000 0.000 0.211 524 L C 2.565 179.487 176.870 0.087 0.000 1.089 524 L CA 1.911 56.831 54.840 0.133 0.000 0.757 524 L CB -0.990 41.126 42.059 0.095 0.000 0.899 524 L HN -0.004 nan 8.230 nan 0.000 0.434 525 S N -0.955 114.773 115.700 0.047 0.000 2.558 525 S HA 0.108 4.578 4.470 -0.000 0.000 0.217 525 S C 0.824 175.396 174.600 -0.048 0.000 0.975 525 S CA -0.407 57.794 58.200 0.001 0.000 0.912 525 S CB -0.463 62.732 63.200 -0.008 0.000 0.776 525 S HN 0.205 nan 8.310 nan 0.000 0.526 526 L N 2.521 123.698 121.223 -0.076 0.000 2.543 526 L HA 0.195 4.535 4.340 -0.000 0.000 0.285 526 L C -2.227 174.606 176.870 -0.062 0.000 1.236 526 L CA -1.543 53.217 54.840 -0.134 0.000 0.871 526 L CB -0.418 41.526 42.059 -0.192 0.000 1.121 526 L HN 0.065 nan 8.230 nan 0.000 0.501 527 P HA -0.010 nan 4.420 nan 0.000 0.260 527 P C 0.840 178.129 177.300 -0.019 0.000 1.185 527 P CA 0.928 64.002 63.100 -0.044 0.000 0.763 527 P CB 0.628 32.297 31.700 -0.051 0.000 0.776 528 G N 2.069 110.865 108.800 -0.006 0.000 2.225 528 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.254 528 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.254 528 G C 0.242 175.155 174.900 0.022 0.000 0.988 528 G CA 0.074 45.179 45.100 0.008 0.000 0.625 528 G HN 0.626 nan 8.290 nan 0.000 0.527 529 E N 1.241 121.459 120.200 0.030 0.000 2.344 529 E HA 0.556 4.906 4.350 -0.000 0.000 0.270 529 E C 1.420 178.043 176.600 0.038 0.000 1.021 529 E CA 0.833 57.265 56.400 0.053 0.000 0.887 529 E CB 0.768 30.529 29.700 0.101 0.000 0.997 529 E HN 0.577 nan 8.360 nan 0.000 0.429 530 T N 0.749 115.322 114.554 0.033 0.000 3.009 530 T HA 0.311 4.661 4.350 -0.000 0.000 0.267 530 T C 0.625 175.333 174.700 0.014 0.000 0.942 530 T CA -0.429 61.684 62.100 0.022 0.000 0.883 530 T CB 0.091 68.971 68.868 0.020 0.000 1.192 530 T HN 0.265 nan 8.240 nan 0.000 0.524 531 R N 2.270 122.776 120.500 0.009 0.000 2.707 531 R HA 0.436 4.776 4.340 -0.000 0.000 0.270 531 R C -2.522 173.759 176.300 -0.031 0.000 1.083 531 R CA -1.589 54.505 56.100 -0.009 0.000 1.182 531 R CB -0.001 30.289 30.300 -0.018 0.000 1.084 531 R HN 0.254 nan 8.270 nan 0.000 0.528 532 P HA 0.168 nan 4.420 nan 0.000 0.278 532 P C -1.152 176.079 177.300 -0.115 0.000 1.258 532 P CA -0.279 62.779 63.100 -0.069 0.000 0.811 532 P CB 0.736 32.395 31.700 -0.068 0.000 1.063 533 L N 1.965 123.099 121.223 -0.148 0.000 2.381 533 L HA 0.611 4.951 4.340 -0.000 0.000 0.274 533 L C -1.237 175.495 176.870 -0.231 0.000 0.988 533 L CA -0.685 54.029 54.840 -0.210 0.000 0.824 533 L CB 0.856 42.775 42.059 -0.234 0.000 1.263 533 L HN 0.228 nan 8.230 nan 0.000 0.410 534 I N 5.331 125.768 120.570 -0.222 0.000 2.512 534 I HA 0.280 4.450 4.170 -0.000 0.000 0.287 534 I C -0.907 175.110 176.117 -0.167 0.000 1.069 534 I CA -0.538 60.620 61.300 -0.235 0.000 1.056 534 I CB 2.098 40.006 38.000 -0.153 0.000 1.229 534 I HN 0.463 nan 8.210 nan 0.000 0.429 535 L N 5.560 126.656 121.223 -0.212 0.000 2.367 535 L HA 0.117 4.457 4.340 -0.000 0.000 0.275 535 L C 1.382 178.315 176.870 0.105 0.000 1.129 535 L CA -0.214 54.565 54.840 -0.101 0.000 0.839 535 L CB 0.766 42.746 42.059 -0.132 0.000 1.133 535 L HN 0.862 nan 8.230 nan 0.000 0.453 536 C N 0.021 119.364 119.300 0.070 0.000 2.464 536 C HA 0.175 4.635 4.460 -0.000 0.000 0.278 536 C C 0.679 175.784 174.990 0.191 0.000 1.375 536 C CA -0.147 58.956 59.018 0.141 0.000 1.761 536 C CB -0.963 26.776 27.740 -0.000 0.000 1.944 536 C HN 0.843 nan 8.230 nan 0.000 0.509 537 E N -0.898 119.335 120.200 0.056 0.000 2.304 537 E HA 0.635 4.985 4.350 -0.000 0.000 0.277 537 E C -1.271 175.245 176.600 -0.139 0.000 0.898 537 E CA -0.398 55.999 56.400 -0.006 0.000 0.764 537 E CB 2.034 31.485 29.700 -0.415 0.000 1.216 537 E HN 0.645 nan 8.360 nan 0.000 0.419 538 Y N -0.386 119.873 120.300 -0.068 0.000 2.656 538 Y HA 0.630 5.180 4.550 -0.000 0.000 0.334 538 Y C -0.733 175.324 175.900 0.262 0.000 1.179 538 Y CA -0.893 57.203 58.100 -0.007 0.000 1.050 538 Y CB 0.978 39.311 38.460 -0.211 0.000 1.308 538 Y HN 0.660 nan 8.280 nan 0.000 0.456 539 A N 2.227 125.102 122.820 0.092 0.000 2.303 539 A HA -0.273 4.047 4.320 -0.000 0.000 0.286 539 A C -0.248 177.453 177.584 0.194 0.000 1.429 539 A CA 1.075 53.154 52.037 0.070 0.000 0.738 539 A CB -2.498 16.421 19.000 -0.135 0.000 1.149 539 A HN 1.114 nan 8.150 nan 0.000 0.364 540 H N 0.554 119.766 119.070 0.237 0.000 3.257 540 H HA 0.160 4.716 4.556 -0.000 0.000 0.256 540 H C 1.267 176.638 175.328 0.071 0.000 0.885 540 H CA 0.800 56.982 56.048 0.223 0.000 1.406 540 H CB 0.386 30.155 29.762 0.012 0.000 1.506 540 H HN 0.840 nan 8.280 nan 0.000 0.527 541 A N 6.453 129.145 122.820 -0.214 0.000 2.416 541 A HA 0.030 4.350 4.320 -0.000 0.000 0.252 541 A C 0.982 178.387 177.584 -0.299 0.000 1.353 541 A CA -0.342 51.550 52.037 -0.242 0.000 0.996 541 A CB -0.537 18.316 19.000 -0.246 0.000 0.961 541 A HN 0.791 nan 8.150 nan 0.000 0.523 542 M N 1.314 120.702 119.600 -0.353 0.000 2.220 542 M HA 0.425 4.905 4.480 -0.000 0.000 0.343 542 M C 0.982 177.141 176.300 -0.235 0.000 1.470 542 M CA 1.241 56.369 55.300 -0.286 0.000 1.161 542 M CB -0.375 32.087 32.600 -0.230 0.000 1.737 542 M HN 0.771 nan 8.290 nan 0.000 0.464 543 G N 4.508 113.159 108.800 -0.248 0.000 2.550 543 G HA2 -0.339 3.621 3.960 -0.000 0.000 0.277 543 G HA3 -0.339 3.621 3.960 -0.000 0.000 0.277 543 G C -0.186 174.284 174.900 -0.715 0.000 1.190 543 G CA 0.069 44.888 45.100 -0.470 0.000 0.971 543 G HN 0.826 nan 8.290 nan 0.000 0.559 544 N N 1.497 119.602 118.700 -0.992 0.000 2.466 544 N HA 0.507 5.247 4.740 -0.000 0.000 0.263 544 N C 0.022 175.283 175.510 -0.415 0.000 1.178 544 N CA 1.111 53.699 53.050 -0.770 0.000 0.983 544 N CB 0.421 38.461 38.487 -0.745 0.000 1.331 544 N HN 0.747 nan 8.380 nan 0.000 0.500 545 S N 1.700 117.235 115.700 -0.275 0.000 3.144 545 S HA 0.580 5.050 4.470 -0.000 0.000 0.325 545 S C -0.111 174.413 174.600 -0.127 0.000 1.161 545 S CA -0.388 57.701 58.200 -0.184 0.000 0.920 545 S CB 0.165 63.275 63.200 -0.150 0.000 1.340 545 S HN 0.377 nan 8.310 nan 0.000 0.681 546 L N 0.207 121.383 121.223 -0.078 0.000 4.613 546 L HA -0.070 4.270 4.340 -0.000 0.000 0.409 546 L C 0.451 177.349 176.870 0.046 0.000 1.100 546 L CA 0.915 55.731 54.840 -0.040 0.000 1.029 546 L CB -1.729 40.225 42.059 -0.174 0.000 2.137 546 L HN 0.694 nan 8.230 nan 0.000 0.713 547 G N -0.760 108.040 108.800 -0.000 0.000 2.343 547 G HA2 0.486 4.446 3.960 -0.000 0.000 0.254 547 G HA3 0.486 4.446 3.960 -0.000 0.000 0.254 547 G C 1.214 176.157 174.900 0.070 0.000 1.277 547 G CA 0.191 45.276 45.100 -0.025 0.000 0.909 547 G HN 1.382 nan 8.290 nan 0.000 0.502 548 G N 1.873 110.727 108.800 0.091 0.000 2.179 548 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.220 548 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.220 548 G C 1.026 176.127 174.900 0.336 0.000 0.990 548 G CA 0.642 45.848 45.100 0.176 0.000 0.646 548 G HN 0.736 nan 8.290 nan 0.000 0.517 549 F N 2.071 122.151 119.950 0.216 0.000 2.087 549 F HA 0.015 4.542 4.527 -0.000 0.000 0.299 549 F C 2.740 178.772 175.800 0.387 0.000 1.100 549 F CA 2.851 61.048 58.000 0.328 0.000 1.226 549 F CB -0.532 38.587 39.000 0.199 0.000 0.983 549 F HN 0.382 nan 8.300 nan 0.000 0.479 550 A N -0.192 122.788 122.820 0.266 0.000 1.978 550 A HA -0.226 4.094 4.320 -0.000 0.000 0.220 550 A C 2.313 179.909 177.584 0.021 0.000 1.170 550 A CA 1.720 53.842 52.037 0.141 0.000 0.636 550 A CB -0.692 18.397 19.000 0.149 0.000 0.810 550 A HN 0.421 nan 8.150 nan 0.000 0.448 551 K N -1.389 119.007 120.400 -0.006 0.000 2.044 551 K HA -0.215 4.105 4.320 -0.000 0.000 0.210 551 K C 1.844 178.203 176.600 -0.401 0.000 1.049 551 K CA 2.048 58.238 56.287 -0.162 0.000 0.927 551 K CB -0.434 31.948 32.500 -0.196 0.000 0.713 551 K HN 0.665 nan 8.250 nan 0.000 0.443 552 Y N -0.518 119.493 120.300 -0.482 0.000 2.097 552 Y HA -0.279 4.271 4.550 -0.000 0.000 0.282 552 Y C 2.296 177.185 175.900 -1.685 0.000 1.152 552 Y CA 1.542 58.978 58.100 -1.106 0.000 1.136 552 Y CB -0.577 37.244 38.460 -1.065 0.000 0.975 552 Y HN 0.184 nan 8.280 nan 0.000 0.498 553 W N 0.365 121.227 121.300 -0.731 0.000 2.338 553 W HA -0.254 4.406 4.660 -0.000 0.000 0.304 553 W C 2.714 179.044 176.519 -0.314 0.000 1.212 553 W CA 2.042 59.090 57.345 -0.495 0.000 1.264 553 W CB -0.740 28.517 29.460 -0.339 0.000 1.142 553 W HN 0.153 nan 8.180 nan 0.000 0.512 554 Q N 0.205 119.896 119.800 -0.181 0.000 2.079 554 Q HA -0.187 4.153 4.340 -0.000 0.000 0.200 554 Q C 2.275 178.197 176.000 -0.130 0.000 0.974 554 Q CA 1.933 57.676 55.803 -0.100 0.000 0.840 554 Q CB -0.398 28.298 28.738 -0.070 0.000 0.898 554 Q HN 0.228 nan 8.270 nan 0.000 0.430 555 A N 0.359 123.003 122.820 -0.294 0.000 1.902 555 A HA -0.136 4.184 4.320 -0.000 0.000 0.217 555 A C 1.865 179.404 177.584 -0.074 0.000 1.181 555 A CA 1.128 53.036 52.037 -0.214 0.000 0.623 555 A CB -1.072 17.675 19.000 -0.422 0.000 0.818 555 A HN 0.536 nan 8.150 nan 0.000 0.443 556 F N -0.297 119.468 119.950 -0.308 0.000 2.120 556 F HA -0.242 4.285 4.527 -0.000 0.000 0.300 556 F C 2.757 178.451 175.800 -0.175 0.000 1.095 556 F CA 1.228 59.016 58.000 -0.353 0.000 1.249 556 F CB -0.191 38.395 39.000 -0.690 0.000 0.995 556 F HN 0.158 nan 8.300 nan 0.000 0.480 557 R N 0.036 120.590 120.500 0.089 0.000 2.148 557 R HA -0.182 4.158 4.340 -0.000 0.000 0.227 557 R C 2.068 178.400 176.300 0.054 0.000 1.103 557 R CA 1.282 57.420 56.100 0.064 0.000 0.983 557 R CB -0.382 29.951 30.300 0.055 0.000 0.874 557 R HN 0.429 nan 8.270 nan 0.000 0.451 558 Q N -0.415 119.446 119.800 0.103 0.000 2.376 558 Q HA -0.016 4.324 4.340 -0.000 0.000 0.206 558 Q C -0.581 175.442 176.000 0.040 0.000 0.921 558 Q CA 0.536 56.384 55.803 0.074 0.000 0.911 558 Q CB 0.533 29.331 28.738 0.100 0.000 1.032 558 Q HN 0.177 nan 8.270 nan 0.000 0.510 559 Y N 0.336 120.612 120.300 -0.040 0.000 2.334 559 Y HA 0.312 4.862 4.550 -0.000 0.000 0.336 559 Y C -1.806 174.065 175.900 -0.049 0.000 0.960 559 Y CA -2.915 55.162 58.100 -0.039 0.000 1.164 559 Y CB 1.504 39.944 38.460 -0.034 0.000 1.155 559 Y HN 0.073 nan 8.280 nan 0.000 0.478 560 P HA -0.221 nan 4.420 nan 0.000 0.215 560 P C 1.264 178.564 177.300 -0.001 0.000 1.163 560 P CA 1.884 64.986 63.100 0.004 0.000 0.894 560 P CB 0.335 32.022 31.700 -0.021 0.000 0.791 561 R N -1.098 119.419 120.500 0.028 0.000 2.316 561 R HA 0.066 4.406 4.340 -0.000 0.000 0.202 561 R C 0.542 176.819 176.300 -0.039 0.000 1.029 561 R CA 0.240 56.337 56.100 -0.003 0.000 1.018 561 R CB -0.552 29.757 30.300 0.015 0.000 0.888 561 R HN 0.289 nan 8.270 nan 0.000 0.471 562 L N 2.039 123.253 121.223 -0.014 0.000 2.282 562 L HA 0.131 4.471 4.340 -0.000 0.000 0.287 562 L C 0.681 177.412 176.870 -0.232 0.000 1.075 562 L CA 0.107 54.893 54.840 -0.090 0.000 0.839 562 L CB 1.184 43.259 42.059 0.026 0.000 1.219 562 L HN 0.023 nan 8.230 nan 0.000 0.434 563 Q N 2.881 122.476 119.800 -0.342 0.000 2.201 563 Q HA 0.332 4.672 4.340 -0.000 0.000 0.217 563 Q C 0.843 176.439 176.000 -0.675 0.000 0.860 563 Q CA 0.100 55.658 55.803 -0.409 0.000 0.984 563 Q CB 0.980 29.566 28.738 -0.254 0.000 1.095 563 Q HN 0.941 nan 8.270 nan 0.000 0.477 564 G N -0.290 107.752 108.800 -1.264 0.000 2.416 564 G HA2 0.143 4.103 3.960 -0.000 0.000 0.203 564 G HA3 0.143 4.103 3.960 -0.000 0.000 0.203 564 G C -0.338 173.805 174.900 -1.263 0.000 1.227 564 G CA -0.740 43.302 45.100 -1.763 0.000 1.041 564 G HN 0.583 nan 8.290 nan 0.000 0.546 565 G N -2.233 106.049 108.800 -0.863 0.000 2.342 565 G HA2 0.654 4.614 3.960 -0.000 0.000 0.297 565 G HA3 0.654 4.614 3.960 -0.000 0.000 0.297 565 G C -1.872 172.900 174.900 -0.213 0.000 1.313 565 G CA -0.324 44.479 45.100 -0.496 0.000 0.830 565 G HN 1.132 nan 8.290 nan 0.000 0.506 566 F N 0.493 120.669 119.950 0.376 0.000 2.449 566 F HA 0.542 5.069 4.527 -0.000 0.000 0.342 566 F C 0.677 176.753 175.800 0.460 0.000 1.127 566 F CA -0.773 57.472 58.000 0.408 0.000 0.975 566 F CB 2.234 41.372 39.000 0.230 0.000 1.146 566 F HN 0.253 nan 8.300 nan 0.000 0.444 567 V N 3.174 123.382 119.914 0.490 0.000 2.811 567 V HA -0.051 4.069 4.120 -0.000 0.000 0.302 567 V C -0.402 175.840 176.094 0.247 0.000 1.063 567 V CA -0.440 61.960 62.300 0.165 0.000 1.088 567 V CB 1.010 32.904 31.823 0.119 0.000 0.982 567 V HN 0.765 nan 8.190 nan 0.000 0.485 568 W N 6.473 127.831 121.300 0.097 0.000 2.336 568 W HA 0.471 5.131 4.660 -0.000 0.000 0.315 568 W C -0.927 175.586 176.519 -0.010 0.000 1.016 568 W CA -0.627 56.800 57.345 0.137 0.000 1.318 568 W CB 1.380 31.055 29.460 0.357 0.000 1.247 568 W HN 0.901 nan 8.180 nan 0.000 0.414 569 D N 3.054 123.119 120.400 -0.560 0.000 2.752 569 D HA 0.071 4.711 4.640 -0.000 0.000 0.313 569 D C 0.664 176.726 176.300 -0.396 0.000 1.225 569 D CA -0.530 53.021 54.000 -0.749 0.000 0.976 569 D CB 0.306 40.033 40.800 -1.789 0.000 1.443 569 D HN 0.447 nan 8.370 nan 0.000 0.515 570 W N 0.726 121.695 121.300 -0.551 0.000 2.322 570 W HA -0.006 4.654 4.660 -0.000 0.000 0.326 570 W C -0.026 176.242 176.519 -0.418 0.000 1.224 570 W CA 1.513 58.589 57.345 -0.448 0.000 1.257 570 W CB 0.136 29.366 29.460 -0.383 0.000 1.174 570 W HN 0.216 nan 8.180 nan 0.000 0.460 571 V N 0.916 120.625 119.914 -0.343 0.000 2.769 571 V HA 0.273 4.393 4.120 -0.000 0.000 0.312 571 V C -0.500 175.384 176.094 -0.351 0.000 1.061 571 V CA -1.175 60.851 62.300 -0.457 0.000 0.931 571 V CB 1.385 33.060 31.823 -0.248 0.000 1.010 571 V HN -0.072 nan 8.190 nan 0.000 0.433 572 D N 2.053 122.262 120.400 -0.319 0.000 2.443 572 D HA 0.102 4.742 4.640 -0.000 0.000 0.239 572 D C 0.092 176.224 176.300 -0.281 0.000 1.136 572 D CA 0.367 54.227 54.000 -0.233 0.000 0.879 572 D CB 1.120 41.880 40.800 -0.066 0.000 1.195 572 D HN 0.630 nan 8.370 nan 0.000 0.443 573 Q N 0.980 120.562 119.800 -0.365 0.000 3.207 573 Q HA 0.150 4.490 4.340 -0.000 0.000 0.335 573 Q C -0.368 175.626 176.000 -0.010 0.000 1.374 573 Q CA -0.325 55.088 55.803 -0.649 0.000 1.023 573 Q CB 0.189 28.611 28.738 -0.526 0.000 1.576 573 Q HN 0.359 nan 8.270 nan 0.000 0.515 574 S N -0.012 115.791 115.700 0.172 0.000 2.549 574 S HA 0.689 5.159 4.470 -0.000 0.000 0.297 574 S C -0.246 174.549 174.600 0.325 0.000 1.115 574 S CA -0.834 57.574 58.200 0.347 0.000 1.059 574 S CB 1.644 65.008 63.200 0.273 0.000 1.046 574 S HN 0.312 nan 8.310 nan 0.000 0.506 575 L N 1.719 123.054 121.223 0.186 0.000 2.330 575 L HA 0.593 4.933 4.340 -0.000 0.000 0.271 575 L C -0.424 176.365 176.870 -0.135 0.000 1.013 575 L CA -1.098 53.713 54.840 -0.049 0.000 0.816 575 L CB 1.434 43.334 42.059 -0.265 0.000 1.287 575 L HN 0.626 nan 8.230 nan 0.000 0.435 576 I N 1.731 122.159 120.570 -0.236 0.000 2.472 576 I HA 0.253 4.423 4.170 -0.000 0.000 0.290 576 I C 0.057 175.793 176.117 -0.635 0.000 1.016 576 I CA 0.159 61.195 61.300 -0.441 0.000 1.348 576 I CB 0.888 38.648 38.000 -0.400 0.000 1.417 576 I HN 0.518 nan 8.210 nan 0.000 0.521 577 K N 4.307 124.026 120.400 -1.136 0.000 2.466 577 K HA 0.585 4.905 4.320 -0.000 0.000 0.260 577 K C -1.778 174.049 176.600 -1.288 0.000 1.011 577 K CA -0.872 54.699 56.287 -1.195 0.000 0.871 577 K CB 2.315 33.816 32.500 -1.665 0.000 1.404 577 K HN 0.245 nan 8.250 nan 0.000 0.450 578 Y N 0.340 120.433 120.300 -0.345 0.000 2.499 578 Y HA 0.198 4.748 4.550 -0.000 0.000 0.347 578 Y C -0.026 176.016 175.900 0.237 0.000 0.987 578 Y CA -1.230 56.862 58.100 -0.015 0.000 1.044 578 Y CB 1.225 39.677 38.460 -0.014 0.000 1.245 578 Y HN 0.640 nan 8.280 nan 0.000 0.461 579 D N -0.373 120.306 120.400 0.466 0.000 2.432 579 D HA 0.157 4.797 4.640 -0.000 0.000 0.258 579 D C 0.469 176.889 176.300 0.199 0.000 1.146 579 D CA -0.566 53.617 54.000 0.305 0.000 1.015 579 D CB 0.756 41.672 40.800 0.193 0.000 1.107 579 D HN 0.539 nan 8.370 nan 0.000 0.529 580 E N -0.023 120.247 120.200 0.117 0.000 2.130 580 E HA -0.213 4.137 4.350 -0.000 0.000 0.196 580 E C 0.783 177.421 176.600 0.063 0.000 0.998 580 E CA 1.365 57.806 56.400 0.069 0.000 0.806 580 E CB -0.665 29.058 29.700 0.038 0.000 0.738 580 E HN 0.427 nan 8.360 nan 0.000 0.459 581 N N 0.529 119.276 118.700 0.078 0.000 2.434 581 N HA 0.114 4.854 4.740 -0.000 0.000 0.196 581 N C 0.637 176.201 175.510 0.090 0.000 1.183 581 N CA 0.828 53.918 53.050 0.068 0.000 0.849 581 N CB 0.306 38.828 38.487 0.058 0.000 0.992 581 N HN 0.315 nan 8.380 nan 0.000 0.460 582 G N 0.725 109.596 108.800 0.118 0.000 2.273 582 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.280 582 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.280 582 G C -0.468 174.613 174.900 0.303 0.000 1.047 582 G CA -0.261 44.918 45.100 0.131 0.000 0.869 582 G HN 0.307 nan 8.290 nan 0.000 0.502 583 N N 1.023 119.921 118.700 0.329 0.000 2.421 583 N HA 0.489 5.229 4.740 -0.000 0.000 0.285 583 N C -2.464 173.222 175.510 0.294 0.000 1.027 583 N CA -1.483 51.745 53.050 0.298 0.000 0.918 583 N CB 2.117 40.721 38.487 0.196 0.000 1.152 583 N HN 0.129 nan 8.380 nan 0.000 0.485 584 P HA 0.299 nan 4.420 nan 0.000 0.279 584 P C -0.559 176.657 177.300 -0.139 0.000 1.239 584 P CA -0.315 62.504 63.100 -0.468 0.000 0.789 584 P CB 0.631 32.118 31.700 -0.356 0.000 0.933 585 W N -0.165 120.862 121.300 -0.454 0.000 3.213 585 W HA 0.382 5.042 4.660 -0.000 0.000 0.318 585 W C -1.492 174.841 176.519 -0.310 0.000 1.248 585 W CA -1.013 56.103 57.345 -0.381 0.000 1.187 585 W CB 0.263 29.361 29.460 -0.602 0.000 1.403 585 W HN 0.149 nan 8.180 nan 0.000 0.556 586 S N 1.891 117.660 115.700 0.114 0.000 2.481 586 S HA 0.556 5.026 4.470 -0.000 0.000 0.276 586 S C 0.198 174.980 174.600 0.303 0.000 1.247 586 S CA -0.245 58.025 58.200 0.117 0.000 1.053 586 S CB 0.975 64.280 63.200 0.175 0.000 0.925 586 S HN 0.664 nan 8.310 nan 0.000 0.491 587 A N 2.834 125.693 122.820 0.066 0.000 2.337 587 A HA 0.878 5.198 4.320 -0.000 0.000 0.331 587 A C -0.630 177.255 177.584 0.501 0.000 1.137 587 A CA -0.822 51.317 52.037 0.170 0.000 0.807 587 A CB 0.704 19.541 19.000 -0.271 0.000 1.250 587 A HN 0.870 nan 8.150 nan 0.000 0.468 588 Y N -0.760 119.896 120.300 0.594 0.000 2.965 588 Y HA 0.766 5.316 4.550 -0.000 0.000 0.310 588 Y C 0.620 176.900 175.900 0.633 0.000 1.480 588 Y CA -1.362 57.072 58.100 0.557 0.000 1.094 588 Y CB -0.019 38.591 38.460 0.250 0.000 1.377 588 Y HN 0.959 nan 8.280 nan 0.000 0.514 589 G N 0.014 109.213 108.800 0.665 0.000 2.224 589 G HA2 0.355 4.315 3.960 -0.000 0.000 0.239 589 G HA3 0.355 4.315 3.960 -0.000 0.000 0.239 589 G C 1.002 176.243 174.900 0.568 0.000 1.240 589 G CA 0.503 45.929 45.100 0.543 0.000 0.896 589 G HN 2.021 nan 8.290 nan 0.000 0.496 590 G N 2.279 111.384 108.800 0.508 0.000 2.234 590 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.260 590 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.260 590 G C 0.882 175.996 174.900 0.357 0.000 0.987 590 G CA 0.717 46.050 45.100 0.388 0.000 0.625 590 G HN 0.669 nan 8.290 nan 0.000 0.532 591 D N -0.360 120.288 120.400 0.413 0.000 2.392 591 D HA 0.145 4.785 4.640 -0.000 0.000 0.228 591 D C 1.250 177.409 176.300 -0.236 0.000 1.003 591 D CA 0.557 54.630 54.000 0.121 0.000 0.917 591 D CB -0.200 40.634 40.800 0.056 0.000 0.890 591 D HN 0.480 nan 8.370 nan 0.000 0.532 592 F N -1.065 118.999 119.950 0.190 0.000 2.735 592 F HA 0.313 4.840 4.527 -0.000 0.000 0.308 592 F C 1.740 177.622 175.800 0.137 0.000 1.112 592 F CA -0.295 57.781 58.000 0.127 0.000 1.235 592 F CB 0.597 39.666 39.000 0.116 0.000 1.027 592 F HN -0.070 nan 8.300 nan 0.000 0.528 593 G N 0.746 109.706 108.800 0.267 0.000 2.155 593 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.257 593 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.257 593 G C -0.140 174.902 174.900 0.238 0.000 0.983 593 G CA 0.306 45.530 45.100 0.207 0.000 0.676 593 G HN 0.431 nan 8.290 nan 0.000 0.528 594 D N 0.447 121.043 120.400 0.327 0.000 2.425 594 D HA 0.429 5.069 4.640 -0.000 0.000 0.247 594 D C 0.010 176.442 176.300 0.219 0.000 1.147 594 D CA 0.534 54.713 54.000 0.299 0.000 0.879 594 D CB 1.187 42.223 40.800 0.392 0.000 1.179 594 D HN 0.059 nan 8.370 nan 0.000 0.456 595 T N 2.332 116.985 114.554 0.166 0.000 2.952 595 T HA 0.482 4.832 4.350 -0.000 0.000 0.305 595 T C -2.360 172.384 174.700 0.073 0.000 1.064 595 T CA -0.950 61.215 62.100 0.107 0.000 1.008 595 T CB 1.975 70.900 68.868 0.095 0.000 1.078 595 T HN 0.382 nan 8.240 nan 0.000 0.459 596 P HA 0.531 nan 4.420 nan 0.000 0.281 596 P C -1.149 176.140 177.300 -0.018 0.000 1.281 596 P CA -0.725 62.376 63.100 0.001 0.000 0.811 596 P CB 0.787 32.461 31.700 -0.044 0.000 1.154 597 N N -1.164 117.525 118.700 -0.019 0.000 2.610 597 N HA 0.172 4.912 4.740 -0.000 0.000 0.264 597 N C -1.063 174.408 175.510 -0.064 0.000 1.348 597 N CA -0.533 52.492 53.050 -0.042 0.000 0.819 597 N CB 1.534 40.095 38.487 0.124 0.000 1.521 597 N HN 0.202 nan 8.380 nan 0.000 0.497 598 D N 0.010 120.350 120.400 -0.101 0.000 2.462 598 D HA 0.187 4.827 4.640 -0.000 0.000 0.221 598 D C 0.372 176.851 176.300 0.298 0.000 1.173 598 D CA -0.197 53.807 54.000 0.007 0.000 0.831 598 D CB 0.942 41.612 40.800 -0.215 0.000 1.001 598 D HN 0.552 nan 8.370 nan 0.000 0.499 599 R N 0.116 120.825 120.500 0.349 0.000 3.853 599 R HA -0.333 4.007 4.340 -0.000 0.000 0.440 599 R C 1.389 177.721 176.300 0.053 0.000 0.241 599 R CA 1.823 58.126 56.100 0.339 0.000 1.395 599 R CB -1.334 29.097 30.300 0.218 0.000 0.984 599 R HN 0.052 nan 8.270 nan 0.000 0.570 600 Q N 0.267 119.801 119.800 -0.444 0.000 2.291 600 Q HA -0.028 4.312 4.340 -0.000 0.000 0.206 600 Q C 1.717 177.536 176.000 -0.302 0.000 0.976 600 Q CA 1.659 57.074 55.803 -0.646 0.000 0.875 600 Q CB -0.259 28.043 28.738 -0.727 0.000 0.927 600 Q HN 0.423 nan 8.270 nan 0.000 0.450 601 F N 1.090 120.914 119.950 -0.210 0.000 2.214 601 F HA -0.300 4.227 4.527 -0.000 0.000 0.302 601 F C 1.691 177.397 175.800 -0.156 0.000 1.063 601 F CA 1.227 59.185 58.000 -0.069 0.000 1.319 601 F CB -0.232 38.814 39.000 0.078 0.000 1.046 601 F HN 0.357 nan 8.300 nan 0.000 0.505 602 C N -1.350 117.575 119.300 -0.624 0.000 2.576 602 C HA 0.223 4.683 4.460 -0.000 0.000 0.267 602 C C 0.973 175.702 174.990 -0.436 0.000 1.364 602 C CA -0.522 58.024 59.018 -0.786 0.000 1.723 602 C CB -1.934 24.888 27.740 -1.529 0.000 1.778 602 C HN 0.200 nan 8.230 nan 0.000 0.572 603 M N 2.965 122.352 119.600 -0.356 0.000 2.036 603 M HA 0.340 4.820 4.480 -0.000 0.000 0.337 603 M C -0.474 175.657 176.300 -0.281 0.000 1.012 603 M CA 0.245 55.393 55.300 -0.254 0.000 0.962 603 M CB 0.512 33.022 32.600 -0.150 0.000 1.423 603 M HN 0.218 nan 8.290 nan 0.000 0.405 604 N N 1.577 120.094 118.700 -0.306 0.000 2.232 604 N HA 0.163 4.903 4.740 -0.000 0.000 0.240 604 N C 0.210 175.473 175.510 -0.411 0.000 1.307 604 N CA -0.098 52.724 53.050 -0.381 0.000 0.859 604 N CB 1.348 39.651 38.487 -0.308 0.000 1.260 604 N HN 0.712 nan 8.380 nan 0.000 0.501 605 G N -0.011 108.531 108.800 -0.430 0.000 2.504 605 G HA2 0.449 4.409 3.960 -0.000 0.000 0.288 605 G HA3 0.449 4.409 3.960 -0.000 0.000 0.288 605 G C 0.890 175.330 174.900 -0.767 0.000 1.182 605 G CA -0.473 44.286 45.100 -0.569 0.000 0.894 605 G HN 0.108 nan 8.290 nan 0.000 0.521 606 L N -0.241 120.525 121.223 -0.762 0.000 2.418 606 L HA 0.155 4.495 4.340 -0.000 0.000 0.218 606 L C 0.715 176.908 176.870 -1.128 0.000 1.125 606 L CA 0.275 54.657 54.840 -0.763 0.000 0.835 606 L CB -0.088 41.681 42.059 -0.483 0.000 0.953 606 L HN 0.394 nan 8.230 nan 0.000 0.454 607 V N -5.282 113.870 119.914 -1.269 0.000 3.040 607 V HA 0.461 4.581 4.120 -0.000 0.000 0.312 607 V C -0.434 175.171 176.094 -0.815 0.000 1.115 607 V CA -1.243 60.433 62.300 -1.040 0.000 0.998 607 V CB 1.682 32.967 31.823 -0.896 0.000 1.042 607 V HN -0.132 nan 8.190 nan 0.000 0.433 608 F N 1.468 121.265 119.950 -0.254 0.000 2.450 608 F HA 0.543 5.070 4.527 -0.000 0.000 0.339 608 F C 1.956 177.664 175.800 -0.154 0.000 1.146 608 F CA 0.414 58.386 58.000 -0.047 0.000 1.267 608 F CB 1.391 40.395 39.000 0.007 0.000 1.178 608 F HN 0.826 nan 8.300 nan 0.000 0.585 609 A N 1.270 124.170 122.820 0.133 0.000 1.997 609 A HA -0.295 4.025 4.320 -0.000 0.000 0.221 609 A C 1.537 179.086 177.584 -0.059 0.000 1.172 609 A CA 2.185 54.239 52.037 0.028 0.000 0.645 609 A CB -1.112 17.943 19.000 0.092 0.000 0.813 609 A HN 0.862 nan 8.150 nan 0.000 0.454 610 D N -3.097 117.289 120.400 -0.024 0.000 2.336 610 D HA 0.199 4.839 4.640 -0.000 0.000 0.229 610 D C 0.529 176.804 176.300 -0.042 0.000 1.061 610 D CA 0.015 53.976 54.000 -0.065 0.000 0.875 610 D CB -0.069 40.699 40.800 -0.054 0.000 0.904 610 D HN 0.185 nan 8.370 nan 0.000 0.525 611 R N -0.799 119.669 120.500 -0.053 0.000 3.527 611 R HA -0.118 4.222 4.340 -0.000 0.000 0.288 611 R C -0.620 175.656 176.300 -0.039 0.000 1.146 611 R CA 1.024 57.069 56.100 -0.093 0.000 0.778 611 R CB -3.269 27.012 30.300 -0.032 0.000 1.289 611 R HN 0.562 nan 8.270 nan 0.000 0.454 612 T N -2.341 112.251 114.554 0.064 0.000 2.797 612 T HA 0.729 5.079 4.350 -0.000 0.000 0.279 612 T C -2.513 172.334 174.700 0.245 0.000 0.991 612 T CA -2.452 59.738 62.100 0.150 0.000 0.979 612 T CB 2.606 71.548 68.868 0.125 0.000 0.943 612 T HN -0.180 nan 8.240 nan 0.000 0.444 613 P HA 0.145 nan 4.420 nan 0.000 0.268 613 P C -0.143 177.201 177.300 0.073 0.000 1.205 613 P CA -0.082 62.997 63.100 -0.035 0.000 0.771 613 P CB 0.237 31.928 31.700 -0.016 0.000 0.858 614 H N 2.945 121.802 119.070 -0.355 0.000 2.495 614 H HA 0.159 4.715 4.556 -0.000 0.000 0.350 614 H C -1.260 173.958 175.328 -0.183 0.000 1.202 614 H CA -2.084 53.747 56.048 -0.362 0.000 1.322 614 H CB 0.583 30.101 29.762 -0.406 0.000 1.544 614 H HN 0.300 nan 8.280 nan 0.000 0.565 615 P HA -0.120 nan 4.420 nan 0.000 0.219 615 P C 1.243 178.539 177.300 -0.007 0.000 1.150 615 P CA 1.275 64.363 63.100 -0.020 0.000 0.814 615 P CB -0.035 31.649 31.700 -0.026 0.000 0.787 616 A N 0.044 122.860 122.820 -0.006 0.000 1.986 616 A HA -0.217 4.103 4.320 -0.000 0.000 0.220 616 A C 2.119 179.646 177.584 -0.096 0.000 1.171 616 A CA 1.542 53.540 52.037 -0.065 0.000 0.640 616 A CB -1.744 17.196 19.000 -0.101 0.000 0.811 616 A HN 0.168 nan 8.150 nan 0.000 0.451 617 L N -0.040 121.141 121.223 -0.071 0.000 2.137 617 L HA -0.190 4.150 4.340 -0.000 0.000 0.213 617 L C 2.437 179.333 176.870 0.043 0.000 1.085 617 L CA 2.743 57.569 54.840 -0.025 0.000 0.760 617 L CB -0.808 41.232 42.059 -0.031 0.000 0.893 617 L HN 0.434 nan 8.230 nan 0.000 0.434 618 T N -1.521 113.066 114.554 0.053 0.000 2.812 618 T HA -0.162 4.188 4.350 -0.000 0.000 0.264 618 T C 1.697 176.491 174.700 0.155 0.000 1.042 618 T CA 1.202 63.387 62.100 0.142 0.000 1.140 618 T CB -0.159 68.777 68.868 0.113 0.000 0.870 618 T HN 0.335 nan 8.240 nan 0.000 0.445 619 E N 1.709 121.948 120.200 0.065 0.000 2.085 619 E HA -0.100 4.250 4.350 -0.000 0.000 0.194 619 E C 2.230 178.836 176.600 0.011 0.000 0.994 619 E CA 1.404 57.848 56.400 0.074 0.000 0.801 619 E CB -0.535 29.175 29.700 0.018 0.000 0.743 619 E HN 0.447 nan 8.360 nan 0.000 0.453 620 A N 0.908 123.624 122.820 -0.174 0.000 1.877 620 A HA -0.250 4.070 4.320 -0.000 0.000 0.216 620 A C 2.178 179.661 177.584 -0.169 0.000 1.186 620 A CA 2.045 53.931 52.037 -0.252 0.000 0.620 620 A CB -0.700 18.132 19.000 -0.280 0.000 0.822 620 A HN 0.290 nan 8.150 nan 0.000 0.443 621 K N -1.247 119.128 120.400 -0.042 0.000 2.074 621 K HA -0.303 4.017 4.320 -0.000 0.000 0.209 621 K C 2.060 178.573 176.600 -0.146 0.000 1.048 621 K CA 2.124 58.400 56.287 -0.018 0.000 0.926 621 K CB -0.352 32.272 32.500 0.206 0.000 0.713 621 K HN 0.660 nan 8.250 nan 0.000 0.444 622 H N 0.310 119.217 119.070 -0.271 0.000 2.326 622 H HA -0.019 4.537 4.556 -0.000 0.000 0.301 622 H C 1.920 176.974 175.328 -0.456 0.000 1.081 622 H CA 1.818 57.518 56.048 -0.580 0.000 1.334 622 H CB 0.011 29.439 29.762 -0.557 0.000 1.385 622 H HN 0.236 nan 8.280 nan 0.000 0.504 623 Q N 0.235 119.760 119.800 -0.459 0.000 2.291 623 Q HA -0.105 4.235 4.340 -0.000 0.000 0.206 623 Q C 1.652 177.113 176.000 -0.899 0.000 0.976 623 Q CA 1.241 56.683 55.803 -0.601 0.000 0.875 623 Q CB 0.015 28.512 28.738 -0.402 0.000 0.927 623 Q HN 0.731 nan 8.270 nan 0.000 0.450 624 Q N 0.755 120.021 119.800 -0.890 0.000 2.360 624 Q HA 0.027 4.367 4.340 -0.000 0.000 0.202 624 Q C 0.119 175.570 176.000 -0.915 0.000 0.915 624 Q CA -0.244 54.904 55.803 -1.093 0.000 0.943 624 Q CB 0.232 28.355 28.738 -1.025 0.000 1.064 624 Q HN 0.456 nan 8.270 nan 0.000 0.511 625 Q N -0.414 118.990 119.800 -0.660 0.000 2.428 625 Q HA -0.037 4.303 4.340 -0.000 0.000 0.276 625 Q C -0.268 175.332 176.000 -0.667 0.000 1.059 625 Q CA 0.321 55.842 55.803 -0.470 0.000 0.923 625 Q CB 0.323 28.934 28.738 -0.212 0.000 1.283 625 Q HN 0.167 nan 8.270 nan 0.000 0.447 626 F N -0.072 119.623 119.950 -0.425 0.000 2.797 626 F HA 0.260 4.787 4.527 -0.000 0.000 0.302 626 F C -0.106 175.122 175.800 -0.953 0.000 1.130 626 F CA 0.001 57.515 58.000 -0.809 0.000 1.387 626 F CB 0.387 38.570 39.000 -1.362 0.000 1.107 626 F HN 0.352 nan 8.300 nan 0.000 0.577 627 F N 0.209 120.068 119.950 -0.153 0.000 2.495 627 F HA 0.488 5.015 4.527 -0.000 0.000 0.327 627 F C -0.087 175.374 175.800 -0.565 0.000 1.103 627 F CA -1.038 56.777 58.000 -0.308 0.000 0.949 627 F CB 1.276 40.110 39.000 -0.276 0.000 1.142 627 F HN -0.320 nan 8.300 nan 0.000 0.457 628 Q N 3.136 122.664 119.800 -0.453 0.000 2.365 628 Q HA 0.525 4.865 4.340 -0.000 0.000 0.269 628 Q C -1.432 174.224 176.000 -0.575 0.000 1.061 628 Q CA -0.661 54.876 55.803 -0.443 0.000 0.816 628 Q CB 3.046 31.675 28.738 -0.182 0.000 1.325 628 Q HN 0.539 nan 8.270 nan 0.000 0.446 629 F N 0.347 120.415 119.950 0.197 0.000 2.522 629 F HA 0.601 5.128 4.527 -0.000 0.000 0.324 629 F C 0.496 176.520 175.800 0.374 0.000 1.077 629 F CA -0.852 57.337 58.000 0.316 0.000 0.944 629 F CB 1.987 41.286 39.000 0.497 0.000 1.175 629 F HN 0.102 nan 8.300 nan 0.000 0.468 630 R N 1.840 122.654 120.500 0.523 0.000 2.628 630 R HA 0.622 4.962 4.340 -0.000 0.000 0.288 630 R C -1.986 174.397 176.300 0.138 0.000 0.980 630 R CA -1.161 55.146 56.100 0.344 0.000 0.891 630 R CB 2.651 33.059 30.300 0.179 0.000 1.188 630 R HN 0.610 nan 8.270 nan 0.000 0.450 631 L N 1.506 122.702 121.223 -0.045 0.000 2.313 631 L HA 0.476 4.816 4.340 -0.000 0.000 0.283 631 L C -0.981 175.740 176.870 -0.249 0.000 1.013 631 L CA 0.151 54.730 54.840 -0.435 0.000 0.816 631 L CB 1.950 43.279 42.059 -1.217 0.000 1.236 631 L HN 0.468 nan 8.230 nan 0.000 0.419 632 S N 3.903 119.480 115.700 -0.206 0.000 2.774 632 S HA 0.696 5.166 4.470 -0.000 0.000 0.297 632 S C 0.376 174.891 174.600 -0.141 0.000 1.143 632 S CA 0.225 58.343 58.200 -0.135 0.000 1.090 632 S CB 0.224 63.380 63.200 -0.073 0.000 1.019 632 S HN 1.475 nan 8.310 nan 0.000 0.482 633 G N 4.247 112.962 108.800 -0.142 0.000 2.574 633 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.301 633 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.301 633 G C 0.381 175.181 174.900 -0.168 0.000 1.166 633 G CA 0.588 45.611 45.100 -0.130 0.000 0.971 633 G HN 0.645 nan 8.290 nan 0.000 0.542 634 Q N 1.243 120.952 119.800 -0.152 0.000 2.198 634 Q HA 0.239 4.579 4.340 -0.000 0.000 0.209 634 Q C -0.068 175.814 176.000 -0.197 0.000 0.848 634 Q CA 0.607 56.301 55.803 -0.182 0.000 0.974 634 Q CB 0.707 29.356 28.738 -0.149 0.000 1.115 634 Q HN 0.547 nan 8.270 nan 0.000 0.494 635 T N 0.747 115.195 114.554 -0.177 0.000 2.797 635 T HA 0.522 4.872 4.350 -0.000 0.000 0.279 635 T C 0.022 174.623 174.700 -0.165 0.000 0.991 635 T CA -0.400 61.611 62.100 -0.148 0.000 0.979 635 T CB 1.573 70.386 68.868 -0.092 0.000 0.943 635 T HN 0.034 nan 8.240 nan 0.000 0.444 636 I N 2.400 122.895 120.570 -0.125 0.000 2.359 636 I HA 0.350 4.520 4.170 -0.000 0.000 0.294 636 I C 0.446 176.595 176.117 0.053 0.000 0.987 636 I CA -0.717 60.546 61.300 -0.062 0.000 1.225 636 I CB 1.542 39.533 38.000 -0.015 0.000 1.366 636 I HN 0.632 nan 8.210 nan 0.000 0.466 637 E N 6.380 126.642 120.200 0.103 0.000 2.134 637 E HA 0.476 4.826 4.350 -0.000 0.000 0.278 637 E C -1.555 175.156 176.600 0.185 0.000 0.959 637 E CA -0.578 55.892 56.400 0.117 0.000 0.783 637 E CB 1.617 31.364 29.700 0.079 0.000 1.095 637 E HN 0.367 nan 8.360 nan 0.000 0.399 638 V N 3.804 123.804 119.914 0.144 0.000 2.513 638 V HA 0.411 4.531 4.120 -0.000 0.000 0.299 638 V C -0.116 176.002 176.094 0.041 0.000 1.035 638 V CA -0.621 61.733 62.300 0.091 0.000 0.889 638 V CB 1.929 33.833 31.823 0.135 0.000 0.988 638 V HN 0.741 nan 8.190 nan 0.000 0.440 639 T N 2.678 117.212 114.554 -0.033 0.000 2.848 639 T HA 0.373 4.723 4.350 -0.000 0.000 0.285 639 T C -0.313 174.379 174.700 -0.013 0.000 0.995 639 T CA -0.349 61.742 62.100 -0.015 0.000 0.970 639 T CB 1.646 70.486 68.868 -0.047 0.000 0.976 639 T HN 0.677 nan 8.240 nan 0.000 0.441 640 S N 1.593 117.294 115.700 0.000 0.000 2.480 640 S HA 0.261 4.731 4.470 -0.000 0.000 0.286 640 S C 0.619 175.109 174.600 -0.184 0.000 1.180 640 S CA -0.586 57.558 58.200 -0.093 0.000 1.075 640 S CB 0.579 63.800 63.200 0.035 0.000 0.996 640 S HN 0.708 nan 8.310 nan 0.000 0.487 641 E N 3.216 123.207 120.200 -0.349 0.000 2.451 641 E HA 0.100 4.450 4.350 -0.000 0.000 0.194 641 E C -0.904 175.532 176.600 -0.273 0.000 1.027 641 E CA -0.075 56.153 56.400 -0.287 0.000 0.914 641 E CB 0.353 29.858 29.700 -0.324 0.000 1.054 641 E HN 0.673 nan 8.360 nan 0.000 0.461 642 Y N 0.450 120.652 120.300 -0.163 0.000 2.319 642 Y HA 0.092 4.642 4.550 -0.000 0.000 0.328 642 Y C 1.396 177.144 175.900 -0.254 0.000 1.133 642 Y CA -0.252 57.730 58.100 -0.195 0.000 1.265 642 Y CB 0.976 39.300 38.460 -0.227 0.000 1.218 642 Y HN -0.023 nan 8.280 nan 0.000 0.508 643 L N 1.709 122.789 121.223 -0.238 0.000 2.298 643 L HA 0.019 4.359 4.340 -0.000 0.000 0.209 643 L C 0.669 177.087 176.870 -0.753 0.000 1.084 643 L CA 0.931 55.361 54.840 -0.684 0.000 0.816 643 L CB 0.005 41.209 42.059 -1.425 0.000 0.967 643 L HN 0.679 nan 8.230 nan 0.000 0.460 644 F N -0.606 119.364 119.950 0.033 0.000 2.747 644 F HA 0.197 4.724 4.527 -0.000 0.000 0.305 644 F C 1.265 177.044 175.800 -0.034 0.000 1.065 644 F CA -0.793 57.196 58.000 -0.018 0.000 1.230 644 F CB 0.363 39.328 39.000 -0.057 0.000 1.027 644 F HN -0.110 nan 8.300 nan 0.000 0.607 645 R N -0.222 120.311 120.500 0.055 0.000 2.674 645 R HA 0.521 4.861 4.340 -0.000 0.000 0.266 645 R C -1.114 175.172 176.300 -0.024 0.000 1.016 645 R CA -0.727 55.344 56.100 -0.048 0.000 1.062 645 R CB 0.775 30.943 30.300 -0.220 0.000 1.142 645 R HN 0.045 nan 8.270 nan 0.000 0.517 646 H N -0.159 118.878 119.070 -0.055 0.000 2.483 646 H HA 0.171 4.727 4.556 -0.000 0.000 0.338 646 H C -0.168 175.168 175.328 0.014 0.000 1.152 646 H CA -0.321 55.733 56.048 0.009 0.000 1.264 646 H CB 1.413 31.189 29.762 0.024 0.000 1.510 646 H HN 0.747 nan 8.280 nan 0.000 0.530 647 S N 2.168 117.734 115.700 -0.222 0.000 4.053 647 S HA -0.052 4.418 4.470 -0.000 0.000 0.184 647 S C 0.202 174.918 174.600 0.192 0.000 1.324 647 S CA -0.105 58.145 58.200 0.084 0.000 0.956 647 S CB -0.865 62.387 63.200 0.087 0.000 1.503 647 S HN 0.732 nan 8.310 nan 0.000 0.440 648 D N 0.556 121.074 120.400 0.197 0.000 2.328 648 D HA 0.012 4.652 4.640 -0.000 0.000 0.226 648 D C 0.433 176.792 176.300 0.099 0.000 1.066 648 D CA -0.119 53.981 54.000 0.167 0.000 0.861 648 D CB -0.252 40.627 40.800 0.132 0.000 0.912 648 D HN 0.490 nan 8.370 nan 0.000 0.521 649 N N 0.006 118.765 118.700 0.098 0.000 2.622 649 N HA 0.125 4.865 4.740 -0.000 0.000 0.293 649 N C -1.580 173.987 175.510 0.094 0.000 1.788 649 N CA -0.246 52.851 53.050 0.079 0.000 0.860 649 N CB 0.276 38.797 38.487 0.057 0.000 1.388 649 N HN -0.068 nan 8.380 nan 0.000 0.496 650 E N 0.088 120.340 120.200 0.086 0.000 2.246 650 E HA 0.448 4.798 4.350 -0.000 0.000 0.266 650 E C -1.575 175.054 176.600 0.048 0.000 0.880 650 E CA -0.598 55.836 56.400 0.057 0.000 0.762 650 E CB 1.957 31.658 29.700 0.003 0.000 1.180 650 E HN 0.076 nan 8.360 nan 0.000 0.416 651 L N 3.427 124.679 121.223 0.049 0.000 2.341 651 L HA 0.541 4.881 4.340 -0.000 0.000 0.278 651 L C -1.512 175.421 176.870 0.106 0.000 1.005 651 L CA -0.922 53.973 54.840 0.092 0.000 0.818 651 L CB 1.543 43.672 42.059 0.116 0.000 1.259 651 L HN 0.595 nan 8.230 nan 0.000 0.418 652 L N 5.129 126.459 121.223 0.178 0.000 2.262 652 L HA 0.445 4.785 4.340 -0.000 0.000 0.288 652 L C -0.665 176.421 176.870 0.360 0.000 1.035 652 L CA 0.078 55.052 54.840 0.224 0.000 0.820 652 L CB 0.378 42.565 42.059 0.212 0.000 1.204 652 L HN 0.568 nan 8.230 nan 0.000 0.424 653 H N 5.755 124.885 119.070 0.100 0.000 2.467 653 H HA 0.380 4.936 4.556 -0.000 0.000 0.326 653 H C -1.096 174.306 175.328 0.124 0.000 1.094 653 H CA -0.704 55.364 56.048 0.033 0.000 1.253 653 H CB 0.965 30.711 29.762 -0.025 0.000 1.439 653 H HN 0.706 nan 8.280 nan 0.000 0.479 654 W N 3.439 124.807 121.300 0.114 0.000 2.929 654 W HA 0.588 5.248 4.660 -0.000 0.000 0.345 654 W C -1.405 175.153 176.519 0.064 0.000 1.151 654 W CA -1.439 55.963 57.345 0.094 0.000 1.111 654 W CB 1.576 31.082 29.460 0.078 0.000 1.449 654 W HN 0.605 nan 8.180 nan 0.000 0.572 655 M N 1.191 121.145 119.600 0.591 0.000 2.569 655 M HA 0.528 5.008 4.480 -0.000 0.000 0.287 655 M C -2.642 173.904 176.300 0.410 0.000 1.130 655 M CA -0.521 54.988 55.300 0.348 0.000 0.885 655 M CB 1.767 34.373 32.600 0.009 0.000 1.759 655 M HN 0.133 nan 8.290 nan 0.000 0.515 656 V N 2.488 122.619 119.914 0.363 0.000 2.495 656 V HA 1.039 5.159 4.120 -0.000 0.000 0.298 656 V C -0.187 176.023 176.094 0.193 0.000 1.031 656 V CA 0.020 62.495 62.300 0.291 0.000 0.871 656 V CB 1.173 33.171 31.823 0.293 0.000 0.988 656 V HN 1.135 nan 8.190 nan 0.000 0.432 657 A N 4.169 127.115 122.820 0.209 0.000 2.539 657 A HA 0.899 5.219 4.320 -0.000 0.000 0.296 657 A C -1.648 176.069 177.584 0.221 0.000 1.073 657 A CA -0.614 51.518 52.037 0.158 0.000 0.700 657 A CB 1.831 20.877 19.000 0.078 0.000 1.296 657 A HN 0.842 nan 8.150 nan 0.000 0.405 658 L N 1.254 122.572 121.223 0.159 0.000 2.294 658 L HA 0.580 4.920 4.340 -0.000 0.000 0.283 658 L C -0.459 176.517 176.870 0.177 0.000 1.015 658 L CA 0.284 55.233 54.840 0.181 0.000 0.831 658 L CB 0.503 42.632 42.059 0.115 0.000 1.217 658 L HN 0.769 nan 8.230 nan 0.000 0.420 659 D N 4.662 125.238 120.400 0.293 0.000 2.733 659 D HA -0.211 4.429 4.640 -0.000 0.000 0.232 659 D C 1.172 177.504 176.300 0.053 0.000 1.161 659 D CA 1.656 55.807 54.000 0.252 0.000 0.653 659 D CB -0.991 39.923 40.800 0.191 0.000 1.052 659 D HN 1.179 nan 8.370 nan 0.000 0.424 660 G N -1.379 107.414 108.800 -0.011 0.000 2.254 660 G HA2 -0.344 3.616 3.960 -0.000 0.000 0.225 660 G HA3 -0.344 3.616 3.960 -0.000 0.000 0.225 660 G C 0.202 175.031 174.900 -0.117 0.000 1.003 660 G CA 0.240 45.231 45.100 -0.182 0.000 0.622 660 G HN 0.429 nan 8.290 nan 0.000 0.507 661 K N 2.435 122.815 120.400 -0.034 0.000 2.285 661 K HA 0.542 4.862 4.320 -0.000 0.000 0.286 661 K C -2.555 174.046 176.600 0.001 0.000 1.072 661 K CA -1.888 54.383 56.287 -0.026 0.000 0.913 661 K CB 1.563 34.060 32.500 -0.005 0.000 1.067 661 K HN 0.131 nan 8.250 nan 0.000 0.479 662 P HA 0.078 nan 4.420 nan 0.000 0.276 662 P C -0.218 177.087 177.300 0.010 0.000 1.243 662 P CA -0.074 63.020 63.100 -0.010 0.000 0.768 662 P CB 0.760 32.429 31.700 -0.051 0.000 0.856 663 L N 1.445 122.695 121.223 0.045 0.000 2.642 663 L HA 0.524 4.864 4.340 -0.000 0.000 0.233 663 L C 0.862 177.769 176.870 0.062 0.000 1.077 663 L CA 0.210 55.081 54.840 0.053 0.000 0.879 663 L CB 0.213 42.319 42.059 0.080 0.000 1.151 663 L HN 0.368 nan 8.230 nan 0.000 0.495 664 A N 0.163 123.031 122.820 0.081 0.000 2.594 664 A HA 0.619 4.939 4.320 -0.000 0.000 0.296 664 A C -0.802 176.734 177.584 -0.079 0.000 1.056 664 A CA -0.120 51.965 52.037 0.081 0.000 0.693 664 A CB 1.554 20.725 19.000 0.286 0.000 1.278 664 A HN 0.051 nan 8.150 nan 0.000 0.408 665 S N 0.266 115.686 115.700 -0.466 0.000 2.588 665 S HA 0.968 5.438 4.470 -0.000 0.000 0.275 665 S C -0.159 173.467 174.600 -1.623 0.000 1.130 665 S CA -0.014 57.548 58.200 -1.064 0.000 0.855 665 S CB 1.613 64.482 63.200 -0.552 0.000 1.116 665 S HN 2.460 nan 8.310 nan 0.000 0.472 666 G N -0.155 107.251 108.800 -2.323 0.000 2.687 666 G HA2 0.671 4.631 3.960 -0.000 0.000 0.291 666 G HA3 0.671 4.631 3.960 -0.000 0.000 0.291 666 G C -2.019 172.346 174.900 -0.890 0.000 1.420 666 G CA -0.705 43.523 45.100 -1.453 0.000 0.796 666 G HN 0.813 nan 8.290 nan 0.000 0.485 667 E N -1.164 118.887 120.200 -0.248 0.000 2.304 667 E HA 0.571 4.921 4.350 -0.000 0.000 0.277 667 E C -1.631 175.040 176.600 0.119 0.000 0.898 667 E CA -0.506 55.836 56.400 -0.096 0.000 0.764 667 E CB 2.904 32.483 29.700 -0.201 0.000 1.216 667 E HN 0.355 nan 8.360 nan 0.000 0.419 668 V N 4.766 124.797 119.914 0.194 0.000 2.777 668 V HA 0.463 4.583 4.120 -0.000 0.000 0.306 668 V C -2.486 173.700 176.094 0.153 0.000 1.112 668 V CA -1.682 60.723 62.300 0.174 0.000 0.917 668 V CB 2.170 34.112 31.823 0.198 0.000 1.018 668 V HN 0.576 nan 8.190 nan 0.000 0.426 669 P HA 0.337 nan 4.420 nan 0.000 0.280 669 P C -0.838 176.520 177.300 0.097 0.000 1.244 669 P CA -0.187 62.975 63.100 0.103 0.000 0.784 669 P CB 1.046 32.801 31.700 0.091 0.000 0.913 670 L N 2.832 124.100 121.223 0.077 0.000 2.350 670 L HA 0.352 4.692 4.340 -0.000 0.000 0.275 670 L C 0.476 177.405 176.870 0.099 0.000 1.099 670 L CA 0.200 55.075 54.840 0.059 0.000 0.808 670 L CB 0.624 42.666 42.059 -0.029 0.000 1.149 670 L HN 0.361 nan 8.230 nan 0.000 0.442 671 D N 2.312 122.777 120.400 0.108 0.000 2.517 671 D HA 0.382 5.022 4.640 -0.000 0.000 0.263 671 D C -1.335 175.008 176.300 0.072 0.000 1.233 671 D CA -0.119 54.004 54.000 0.205 0.000 0.849 671 D CB 0.943 41.880 40.800 0.228 0.000 1.261 671 D HN 0.100 nan 8.370 nan 0.000 0.516 672 V N 0.522 120.304 119.914 -0.221 0.000 2.656 672 V HA 0.930 5.050 4.120 -0.000 0.000 0.307 672 V C 0.590 176.380 176.094 -0.506 0.000 1.051 672 V CA -1.337 60.850 62.300 -0.188 0.000 0.893 672 V CB 1.456 33.295 31.823 0.027 0.000 0.999 672 V HN 0.454 nan 8.190 nan 0.000 0.426 673 A N 4.976 127.701 122.820 -0.160 0.000 2.322 673 A HA 0.812 5.132 4.320 -0.000 0.000 0.269 673 A C -2.402 175.178 177.584 -0.008 0.000 1.094 673 A CA -1.723 50.296 52.037 -0.030 0.000 0.807 673 A CB -0.040 19.032 19.000 0.120 0.000 1.047 673 A HN 0.724 nan 8.150 nan 0.000 0.487 674 P HA -0.033 nan 4.420 nan 0.000 0.261 674 P C -0.429 176.864 177.300 -0.012 0.000 1.173 674 P CA 0.732 63.844 63.100 0.020 0.000 0.760 674 P CB 0.211 31.909 31.700 -0.003 0.000 0.783 675 Q N -1.224 118.555 119.800 -0.035 0.000 2.406 675 Q HA -0.185 4.155 4.340 -0.000 0.000 0.236 675 Q C 0.696 176.685 176.000 -0.018 0.000 0.799 675 Q CA 1.490 57.265 55.803 -0.047 0.000 1.286 675 Q CB -2.472 26.230 28.738 -0.060 0.000 1.615 675 Q HN 0.758 nan 8.270 nan 0.000 0.621 676 G N 0.231 109.033 108.800 0.003 0.000 2.552 676 G HA2 0.594 4.554 3.960 -0.000 0.000 0.318 676 G HA3 0.594 4.554 3.960 -0.000 0.000 0.318 676 G C -0.513 174.404 174.900 0.028 0.000 1.240 676 G CA -0.688 44.423 45.100 0.019 0.000 1.002 676 G HN -0.027 nan 8.290 nan 0.000 0.493 677 K N -0.408 120.013 120.400 0.035 0.000 2.267 677 K HA 0.468 4.788 4.320 -0.000 0.000 0.246 677 K C -0.869 175.764 176.600 0.056 0.000 0.954 677 K CA -0.570 55.743 56.287 0.044 0.000 0.824 677 K CB 2.373 34.894 32.500 0.034 0.000 1.167 677 K HN 0.556 nan 8.250 nan 0.000 0.431 678 Q N 3.174 123.014 119.800 0.068 0.000 2.305 678 Q HA 0.354 4.694 4.340 -0.000 0.000 0.271 678 Q C -1.596 174.447 176.000 0.073 0.000 1.046 678 Q CA -0.638 55.208 55.803 0.073 0.000 0.798 678 Q CB 1.353 30.140 28.738 0.082 0.000 1.286 678 Q HN 0.532 nan 8.270 nan 0.000 0.435 679 L N 5.056 126.313 121.223 0.056 0.000 2.289 679 L HA 0.557 4.897 4.340 -0.000 0.000 0.285 679 L C -0.336 176.555 176.870 0.036 0.000 1.049 679 L CA -0.761 54.103 54.840 0.041 0.000 0.804 679 L CB 1.186 43.258 42.059 0.022 0.000 1.195 679 L HN 0.627 nan 8.230 nan 0.000 0.428 680 I N 2.811 123.394 120.570 0.022 0.000 2.439 680 I HA 0.248 4.418 4.170 -0.000 0.000 0.285 680 I C -0.252 175.831 176.117 -0.056 0.000 1.021 680 I CA -0.700 60.601 61.300 0.002 0.000 1.091 680 I CB 2.104 40.120 38.000 0.027 0.000 1.242 680 I HN 0.492 nan 8.210 nan 0.000 0.439 681 E N 6.511 126.681 120.200 -0.051 0.000 2.223 681 E HA 0.410 4.760 4.350 -0.000 0.000 0.282 681 E C -0.662 175.861 176.600 -0.128 0.000 1.046 681 E CA -0.313 56.040 56.400 -0.078 0.000 0.857 681 E CB 1.423 31.097 29.700 -0.044 0.000 1.055 681 E HN 0.474 nan 8.360 nan 0.000 0.409 682 L N 6.010 127.122 121.223 -0.184 0.000 2.325 682 L HA 0.361 4.701 4.340 -0.000 0.000 0.279 682 L C -1.917 174.845 176.870 -0.180 0.000 1.054 682 L CA -1.946 52.732 54.840 -0.271 0.000 0.804 682 L CB 1.331 43.147 42.059 -0.405 0.000 1.200 682 L HN 0.238 nan 8.230 nan 0.000 0.436 683 P HA 0.030 nan 4.420 nan 0.000 0.272 683 P C -0.476 176.775 177.300 -0.083 0.000 1.223 683 P CA -0.432 62.625 63.100 -0.071 0.000 0.784 683 P CB 0.509 32.214 31.700 0.008 0.000 0.923 684 E N 1.433 121.608 120.200 -0.043 0.000 2.652 684 E HA -0.044 4.306 4.350 -0.000 0.000 0.255 684 E C -0.157 176.426 176.600 -0.027 0.000 0.952 684 E CA 0.621 56.998 56.400 -0.038 0.000 0.947 684 E CB 0.110 29.800 29.700 -0.017 0.000 0.912 684 E HN 0.342 nan 8.360 nan 0.000 0.489 685 L N 6.297 127.493 121.223 -0.044 0.000 2.357 685 L HA 0.314 4.654 4.340 -0.000 0.000 0.273 685 L C -1.909 174.962 176.870 0.002 0.000 1.080 685 L CA -2.136 52.690 54.840 -0.023 0.000 0.803 685 L CB 0.682 42.708 42.059 -0.054 0.000 1.174 685 L HN 0.323 nan 8.230 nan 0.000 0.443 686 P HA 0.044 nan 4.420 nan 0.000 0.268 686 P C -0.887 176.426 177.300 0.022 0.000 1.204 686 P CA -0.218 62.902 63.100 0.034 0.000 0.768 686 P CB 0.610 32.344 31.700 0.057 0.000 0.842 687 Q N 2.487 122.297 119.800 0.016 0.000 2.647 687 Q HA 0.247 4.587 4.340 -0.000 0.000 0.400 687 Q C -2.033 173.976 176.000 0.015 0.000 0.959 687 Q CA -1.708 54.102 55.803 0.010 0.000 1.079 687 Q CB -0.439 28.300 28.738 0.002 0.000 1.351 687 Q HN 0.401 nan 8.270 nan 0.000 0.411 688 P HA -0.157 nan 4.420 nan 0.000 0.268 688 P C 0.103 177.416 177.300 0.022 0.000 1.171 688 P CA 0.413 63.529 63.100 0.027 0.000 0.761 688 P CB 1.163 32.885 31.700 0.037 0.000 0.786 689 E N 0.538 120.751 120.200 0.022 0.000 2.127 689 E HA 0.007 4.357 4.350 -0.000 0.000 0.191 689 E C 0.612 177.226 176.600 0.023 0.000 0.964 689 E CA 0.480 56.892 56.400 0.019 0.000 0.832 689 E CB -0.443 29.267 29.700 0.017 0.000 0.790 689 E HN 0.562 nan 8.360 nan 0.000 0.465 690 S N 1.286 117.003 115.700 0.028 0.000 2.537 690 S HA 0.156 4.626 4.470 -0.000 0.000 0.280 690 S C 0.404 175.027 174.600 0.039 0.000 1.335 690 S CA 0.161 58.382 58.200 0.034 0.000 1.025 690 S CB 0.518 63.740 63.200 0.037 0.000 0.836 690 S HN 0.292 nan 8.310 nan 0.000 0.523 691 A N 0.997 123.844 122.820 0.044 0.000 2.302 691 A HA 0.818 5.138 4.320 -0.000 0.000 0.285 691 A C 0.810 178.433 177.584 0.065 0.000 1.105 691 A CA 0.176 52.242 52.037 0.049 0.000 0.816 691 A CB 0.223 19.253 19.000 0.049 0.000 1.067 691 A HN 1.772 nan 8.150 nan 0.000 0.489 692 G N -0.037 108.804 108.800 0.068 0.000 2.357 692 G HA2 0.324 4.284 3.960 -0.000 0.000 0.289 692 G HA3 0.324 4.284 3.960 -0.000 0.000 0.289 692 G C -1.381 173.569 174.900 0.083 0.000 1.302 692 G CA -0.881 44.278 45.100 0.098 0.000 0.936 692 G HN 0.839 nan 8.290 nan 0.000 0.513 693 Q N -0.574 119.312 119.800 0.142 0.000 2.293 693 Q HA 0.615 4.955 4.340 -0.000 0.000 0.261 693 Q C -0.918 175.181 176.000 0.165 0.000 0.960 693 Q CA -0.761 55.092 55.803 0.084 0.000 0.882 693 Q CB 2.402 31.241 28.738 0.169 0.000 1.275 693 Q HN 0.463 nan 8.270 nan 0.000 0.445 694 L N 3.628 124.824 121.223 -0.045 0.000 2.272 694 L HA 0.484 4.824 4.340 -0.000 0.000 0.289 694 L C -1.790 175.029 176.870 -0.084 0.000 1.032 694 L CA 0.016 54.877 54.840 0.036 0.000 0.810 694 L CB 0.450 42.506 42.059 -0.006 0.000 1.205 694 L HN 0.567 nan 8.230 nan 0.000 0.422 695 W N 5.423 126.793 121.300 0.117 0.000 2.819 695 W HA 0.567 5.227 4.660 -0.000 0.000 0.337 695 W C -1.055 175.575 176.519 0.185 0.000 1.077 695 W CA -0.703 56.735 57.345 0.155 0.000 1.226 695 W CB 1.702 31.281 29.460 0.199 0.000 1.419 695 W HN 0.278 nan 8.180 nan 0.000 0.502 696 L N 3.046 124.570 121.223 0.501 0.000 2.295 696 L HA 0.817 5.157 4.340 -0.000 0.000 0.285 696 L C -0.365 176.820 176.870 0.525 0.000 1.035 696 L CA 0.145 55.255 54.840 0.449 0.000 0.806 696 L CB 1.311 43.574 42.059 0.339 0.000 1.214 696 L HN 0.372 nan 8.230 nan 0.000 0.426 697 T N 4.792 119.598 114.554 0.419 0.000 2.886 697 T HA 0.662 5.012 4.350 -0.000 0.000 0.292 697 T C -0.878 174.008 174.700 0.311 0.000 1.012 697 T CA -0.479 61.818 62.100 0.328 0.000 0.982 697 T CB 1.642 70.636 68.868 0.210 0.000 1.018 697 T HN 0.619 nan 8.240 nan 0.000 0.451 698 V N 1.258 121.308 119.914 0.227 0.000 2.680 698 V HA 0.864 4.984 4.120 -0.000 0.000 0.309 698 V C -0.772 175.387 176.094 0.109 0.000 1.052 698 V CA -1.118 61.278 62.300 0.160 0.000 0.908 698 V CB 1.902 33.743 31.823 0.030 0.000 1.001 698 V HN 0.841 nan 8.190 nan 0.000 0.431 699 R N 2.202 122.788 120.500 0.144 0.000 2.771 699 R HA 0.836 5.176 4.340 -0.000 0.000 0.274 699 R C -1.716 174.663 176.300 0.131 0.000 0.987 699 R CA -0.835 55.359 56.100 0.158 0.000 0.908 699 R CB 2.759 33.103 30.300 0.074 0.000 1.213 699 R HN 0.657 nan 8.270 nan 0.000 0.468 700 V N 2.864 122.879 119.914 0.169 0.000 2.384 700 V HA 0.433 4.553 4.120 -0.000 0.000 0.287 700 V C -0.457 175.670 176.094 0.056 0.000 1.020 700 V CA -0.659 61.710 62.300 0.114 0.000 0.850 700 V CB 1.738 33.645 31.823 0.141 0.000 0.987 700 V HN 0.442 nan 8.190 nan 0.000 0.436 701 V N 4.468 124.364 119.914 -0.030 0.000 2.680 701 V HA 0.479 4.599 4.120 -0.000 0.000 0.309 701 V C -0.401 175.707 176.094 0.022 0.000 1.052 701 V CA -0.847 61.421 62.300 -0.053 0.000 0.908 701 V CB 1.987 33.677 31.823 -0.222 0.000 1.001 701 V HN 0.867 nan 8.190 nan 0.000 0.431 702 Q N 4.135 123.974 119.800 0.066 0.000 2.465 702 Q HA 0.278 4.618 4.340 -0.000 0.000 0.237 702 Q C -1.838 174.183 176.000 0.035 0.000 1.051 702 Q CA -1.810 54.041 55.803 0.079 0.000 0.874 702 Q CB 1.901 30.714 28.738 0.125 0.000 1.207 702 Q HN 0.493 nan 8.270 nan 0.000 0.508 703 P HA -0.210 nan 4.420 nan 0.000 0.214 703 P C -0.514 176.789 177.300 0.005 0.000 1.163 703 P CA 1.393 64.506 63.100 0.022 0.000 0.889 703 P CB 0.285 32.006 31.700 0.034 0.000 0.790 704 N N -0.852 117.845 118.700 -0.005 0.000 2.492 704 N HA 0.442 5.182 4.740 -0.000 0.000 0.289 704 N C -0.272 175.195 175.510 -0.072 0.000 1.133 704 N CA -0.645 52.388 53.050 -0.028 0.000 0.961 704 N CB 0.676 39.150 38.487 -0.022 0.000 1.186 704 N HN 0.015 nan 8.380 nan 0.000 0.493 705 A N 0.414 123.181 122.820 -0.088 0.000 2.346 705 A HA 0.547 4.867 4.320 -0.000 0.000 0.252 705 A C 0.555 178.011 177.584 -0.213 0.000 1.089 705 A CA -0.140 51.802 52.037 -0.157 0.000 0.797 705 A CB 0.007 18.933 19.000 -0.123 0.000 1.047 705 A HN 0.735 nan 8.150 nan 0.000 0.494 706 T N -3.528 110.802 114.554 -0.375 0.000 2.773 706 T HA 0.619 4.969 4.350 -0.000 0.000 0.278 706 T C 0.897 175.383 174.700 -0.356 0.000 1.011 706 T CA 0.056 61.900 62.100 -0.427 0.000 1.014 706 T CB 1.116 69.446 68.868 -0.897 0.000 1.293 706 T HN 1.366 nan 8.240 nan 0.000 0.554 707 A N -0.166 122.537 122.820 -0.195 0.000 2.121 707 A HA 0.137 4.457 4.320 -0.000 0.000 0.218 707 A C 1.485 179.166 177.584 0.163 0.000 1.154 707 A CA 0.890 52.965 52.037 0.062 0.000 0.679 707 A CB -0.828 18.316 19.000 0.239 0.000 0.795 707 A HN 0.905 nan 8.150 nan 0.000 0.458 708 W N -0.975 120.371 121.300 0.077 0.000 2.518 708 W HA 0.430 5.090 4.660 -0.000 0.000 0.352 708 W C -0.185 176.293 176.519 -0.068 0.000 0.952 708 W CA 0.405 57.757 57.345 0.012 0.000 1.624 708 W CB -1.170 28.284 29.460 -0.011 0.000 1.135 708 W HN 0.404 nan 8.180 nan 0.000 0.540 709 S N 0.232 115.435 115.700 -0.827 0.000 2.556 709 S HA 0.450 4.920 4.470 -0.000 0.000 0.271 709 S C -0.560 173.773 174.600 -0.445 0.000 1.135 709 S CA -0.616 57.134 58.200 -0.751 0.000 0.858 709 S CB 2.815 65.176 63.200 -1.399 0.000 1.114 709 S HN 0.063 nan 8.310 nan 0.000 0.468 710 E N 0.871 120.928 120.200 -0.238 0.000 2.342 710 E HA 0.533 4.883 4.350 -0.000 0.000 0.257 710 E C 0.396 176.949 176.600 -0.079 0.000 1.150 710 E CA -0.562 55.772 56.400 -0.111 0.000 0.926 710 E CB 1.136 30.823 29.700 -0.023 0.000 1.074 710 E HN 0.881 nan 8.360 nan 0.000 0.449 711 A N -0.125 122.667 122.820 -0.047 0.000 2.407 711 A HA 0.443 4.763 4.320 -0.000 0.000 0.248 711 A C 1.006 178.597 177.584 0.012 0.000 1.082 711 A CA 0.555 52.578 52.037 -0.024 0.000 0.785 711 A CB -0.152 18.837 19.000 -0.019 0.000 1.020 711 A HN 0.745 nan 8.150 nan 0.000 0.489 712 G N 0.330 109.143 108.800 0.021 0.000 2.160 712 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.244 712 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.244 712 G C 0.065 174.995 174.900 0.050 0.000 1.022 712 G CA 0.713 45.823 45.100 0.017 0.000 0.741 712 G HN 1.676 nan 8.290 nan 0.000 0.508 713 H N 0.088 119.148 119.070 -0.018 0.000 2.652 713 H HA 0.542 5.098 4.556 -0.000 0.000 0.349 713 H C 0.443 175.815 175.328 0.073 0.000 1.099 713 H CA -0.686 55.377 56.048 0.026 0.000 1.417 713 H CB 0.372 30.139 29.762 0.009 0.000 1.457 713 H HN 0.047 nan 8.280 nan 0.000 0.568 714 I N 4.586 124.851 120.570 -0.507 0.000 2.325 714 I HA 0.037 4.207 4.170 -0.000 0.000 0.291 714 I C 1.072 177.037 176.117 -0.255 0.000 1.019 714 I CA -0.027 61.119 61.300 -0.256 0.000 1.302 714 I CB 0.778 38.702 38.000 -0.126 0.000 1.401 714 I HN 0.839 nan 8.210 nan 0.000 0.485 715 S N 3.796 119.564 115.700 0.113 0.000 2.526 715 S HA 0.664 5.134 4.470 -0.000 0.000 0.220 715 S C 0.488 175.343 174.600 0.424 0.000 1.017 715 S CA 0.117 58.514 58.200 0.329 0.000 0.930 715 S CB 0.635 64.140 63.200 0.507 0.000 0.856 715 S HN 0.754 nan 8.310 nan 0.000 0.497 716 A N 0.610 123.716 122.820 0.477 0.000 2.605 716 A HA 0.675 4.995 4.320 -0.000 0.000 0.294 716 A C -1.732 176.216 177.584 0.605 0.000 1.062 716 A CA -0.903 51.405 52.037 0.452 0.000 0.682 716 A CB 0.439 19.755 19.000 0.526 0.000 1.278 716 A HN 0.918 nan 8.150 nan 0.000 0.410 717 W N -0.011 121.460 121.300 0.285 0.000 3.005 717 W HA 0.809 5.469 4.660 -0.000 0.000 0.343 717 W C -1.183 175.376 176.519 0.067 0.000 1.243 717 W CA -0.643 56.757 57.345 0.091 0.000 1.186 717 W CB 1.202 30.659 29.460 -0.005 0.000 1.453 717 W HN 1.105 nan 8.180 nan 0.000 0.575 718 Q N 1.709 121.567 119.800 0.096 0.000 2.574 718 Q HA 0.302 4.642 4.340 -0.000 0.000 0.265 718 Q C -1.562 174.233 176.000 -0.342 0.000 0.975 718 Q CA -0.575 55.102 55.803 -0.210 0.000 0.923 718 Q CB 1.975 30.426 28.738 -0.479 0.000 1.518 718 Q HN 0.674 nan 8.270 nan 0.000 0.401 719 Q N 2.608 122.181 119.800 -0.379 0.000 2.458 719 Q HA 0.758 5.098 4.340 -0.000 0.000 0.282 719 Q C -1.223 174.673 176.000 -0.174 0.000 1.106 719 Q CA -0.664 55.065 55.803 -0.124 0.000 0.814 719 Q CB 2.027 30.877 28.738 0.186 0.000 1.425 719 Q HN 0.633 nan 8.270 nan 0.000 0.437 720 W N 1.200 122.704 121.300 0.339 0.000 3.127 720 W HA 0.437 5.097 4.660 -0.000 0.000 0.330 720 W C -0.608 175.926 176.519 0.026 0.000 1.187 720 W CA -0.800 56.663 57.345 0.197 0.000 1.198 720 W CB 2.214 31.722 29.460 0.080 0.000 1.408 720 W HN 0.680 nan 8.180 nan 0.000 0.529 721 R N 2.600 122.999 120.500 -0.167 0.000 2.202 721 R HA 0.291 4.631 4.340 -0.000 0.000 0.334 721 R C 0.763 176.839 176.300 -0.374 0.000 1.036 721 R CA -0.141 55.451 56.100 -0.846 0.000 0.878 721 R CB 0.612 30.043 30.300 -1.448 0.000 1.067 721 R HN 0.607 nan 8.270 nan 0.000 0.457 722 L N 2.770 123.824 121.223 -0.282 0.000 2.049 722 L HA 0.178 4.518 4.340 -0.000 0.000 0.203 722 L C 0.896 177.666 176.870 -0.168 0.000 1.074 722 L CA 1.018 55.764 54.840 -0.156 0.000 0.749 722 L CB -0.162 41.848 42.059 -0.082 0.000 0.907 722 L HN 0.664 nan 8.230 nan 0.000 0.439 723 A N -0.807 121.897 122.820 -0.194 0.000 2.588 723 A HA 0.622 4.942 4.320 -0.000 0.000 0.290 723 A C -1.420 176.075 177.584 -0.149 0.000 1.136 723 A CA -0.437 51.514 52.037 -0.142 0.000 0.681 723 A CB 1.855 20.806 19.000 -0.081 0.000 1.282 723 A HN 0.056 nan 8.150 nan 0.000 0.421 724 E N 0.411 120.554 120.200 -0.095 0.000 2.275 724 E HA 0.425 4.775 4.350 -0.000 0.000 0.270 724 E C -1.676 174.909 176.600 -0.026 0.000 0.882 724 E CA -0.640 55.722 56.400 -0.064 0.000 0.758 724 E CB 1.272 30.931 29.700 -0.068 0.000 1.195 724 E HN 0.544 nan 8.360 nan 0.000 0.419 725 N N 4.598 123.296 118.700 -0.002 0.000 2.564 725 N HA 0.295 5.035 4.740 -0.000 0.000 0.248 725 N C -0.658 174.865 175.510 0.021 0.000 0.986 725 N CA -0.317 52.739 53.050 0.010 0.000 0.921 725 N CB 1.044 39.542 38.487 0.018 0.000 1.136 725 N HN 0.476 nan 8.380 nan 0.000 0.509 726 L N 0.675 121.909 121.223 0.018 0.000 2.456 726 L HA 0.131 4.471 4.340 -0.000 0.000 0.272 726 L C 1.199 178.089 176.870 0.033 0.000 1.189 726 L CA 0.111 54.968 54.840 0.028 0.000 0.846 726 L CB 0.545 42.619 42.059 0.025 0.000 1.111 726 L HN 0.331 nan 8.230 nan 0.000 0.475 727 S N 1.399 117.124 115.700 0.042 0.000 2.465 727 S HA 0.278 4.747 4.470 -0.000 0.000 0.279 727 S C 0.558 175.181 174.600 0.038 0.000 1.201 727 S CA -0.898 57.328 58.200 0.043 0.000 1.053 727 S CB 0.808 64.039 63.200 0.052 0.000 0.953 727 S HN 0.437 nan 8.310 nan 0.000 0.488 728 V N 2.575 122.508 119.914 0.032 0.000 3.376 728 V HA 0.299 4.419 4.120 -0.000 0.000 0.313 728 V C 0.869 176.980 176.094 0.028 0.000 1.393 728 V CA -0.015 62.302 62.300 0.028 0.000 1.125 728 V CB -1.062 30.774 31.823 0.023 0.000 1.037 728 V HN 0.838 nan 8.190 nan 0.000 0.440 729 T N 0.109 114.682 114.554 0.031 0.000 2.902 729 T HA 0.756 5.106 4.350 -0.000 0.000 0.280 729 T C -0.515 174.202 174.700 0.029 0.000 0.992 729 T CA -0.497 61.620 62.100 0.029 0.000 1.015 729 T CB 1.907 70.792 68.868 0.028 0.000 1.044 729 T HN 0.210 nan 8.240 nan 0.000 0.520 730 L N 1.810 123.048 121.223 0.025 0.000 2.334 730 L HA 0.599 4.939 4.340 -0.000 0.000 0.273 730 L C -1.969 174.912 176.870 0.019 0.000 1.013 730 L CA -2.125 52.728 54.840 0.022 0.000 0.816 730 L CB 0.530 42.599 42.059 0.017 0.000 1.278 730 L HN 0.593 nan 8.230 nan 0.000 0.431 731 P HA 0.335 nan 4.420 nan 0.000 0.271 731 P C -0.717 176.583 177.300 -0.001 0.000 1.216 731 P CA -0.410 62.697 63.100 0.011 0.000 0.771 731 P CB 0.964 32.670 31.700 0.011 0.000 0.864 732 A N 2.649 125.465 122.820 -0.006 0.000 2.332 732 A HA 0.554 4.874 4.320 -0.000 0.000 0.258 732 A C 0.573 178.124 177.584 -0.055 0.000 1.087 732 A CA -0.194 51.832 52.037 -0.019 0.000 0.802 732 A CB -0.155 18.839 19.000 -0.009 0.000 1.042 732 A HN 0.738 nan 8.150 nan 0.000 0.489 733 A N 1.175 123.954 122.820 -0.068 0.000 2.520 733 A HA 0.487 4.807 4.320 -0.000 0.000 0.235 733 A C 0.787 178.203 177.584 -0.280 0.000 1.065 733 A CA 0.475 52.440 52.037 -0.119 0.000 0.764 733 A CB -0.423 18.532 19.000 -0.076 0.000 1.002 733 A HN 1.512 nan 8.150 nan 0.000 0.502 734 S N 0.715 116.256 115.700 -0.265 0.000 2.608 734 S HA 0.494 4.964 4.470 -0.000 0.000 0.291 734 S C 0.231 174.592 174.600 -0.398 0.000 1.146 734 S CA -0.727 57.267 58.200 -0.344 0.000 1.043 734 S CB 0.832 63.950 63.200 -0.136 0.000 1.037 734 S HN 0.668 nan 8.310 nan 0.000 0.520 735 H N 0.202 119.283 119.070 0.017 0.000 2.539 735 H HA 0.557 5.113 4.556 -0.000 0.000 0.269 735 H C 0.585 175.921 175.328 0.013 0.000 0.980 735 H CA 0.554 56.609 56.048 0.013 0.000 1.152 735 H CB -0.092 29.676 29.762 0.011 0.000 1.407 735 H HN 0.775 nan 8.280 nan 0.000 0.564 736 A N 0.951 123.803 122.820 0.054 0.000 2.599 736 A HA 0.618 4.938 4.320 -0.000 0.000 0.290 736 A C -1.063 176.538 177.584 0.028 0.000 1.101 736 A CA -0.777 51.291 52.037 0.051 0.000 0.674 736 A CB 1.470 20.511 19.000 0.068 0.000 1.277 736 A HN 0.215 nan 8.150 nan 0.000 0.419 737 I N -1.553 119.039 120.570 0.036 0.000 2.865 737 I HA 0.790 4.960 4.170 -0.000 0.000 0.302 737 I C -2.875 173.280 176.117 0.062 0.000 1.140 737 I CA -2.582 58.737 61.300 0.032 0.000 1.021 737 I CB 2.402 40.410 38.000 0.013 0.000 1.233 737 I HN 0.392 nan 8.210 nan 0.000 0.427 738 P HA 0.014 nan 4.420 nan 0.000 0.269 738 P C -1.327 176.061 177.300 0.147 0.000 1.211 738 P CA 0.383 63.540 63.100 0.096 0.000 0.781 738 P CB 0.190 31.904 31.700 0.023 0.000 0.877 739 H N 1.898 120.997 119.070 0.048 0.000 2.587 739 H HA 0.370 4.926 4.556 -0.000 0.000 0.325 739 H C -1.016 174.339 175.328 0.045 0.000 1.012 739 H CA -1.110 54.960 56.048 0.036 0.000 1.213 739 H CB 0.954 30.739 29.762 0.038 0.000 1.431 739 H HN 0.201 nan 8.280 nan 0.000 0.492 740 L N 5.070 126.169 121.223 -0.206 0.000 2.326 740 L HA 0.316 4.656 4.340 -0.000 0.000 0.278 740 L C -0.737 175.926 176.870 -0.346 0.000 1.092 740 L CA 0.275 54.970 54.840 -0.242 0.000 0.810 740 L CB 1.389 43.372 42.059 -0.127 0.000 1.153 740 L HN 0.644 nan 8.230 nan 0.000 0.439 741 T N 3.025 117.466 114.554 -0.187 0.000 2.921 741 T HA 0.427 4.777 4.350 -0.000 0.000 0.297 741 T C -0.634 174.115 174.700 0.081 0.000 1.013 741 T CA -0.459 61.586 62.100 -0.091 0.000 0.990 741 T CB 1.387 70.184 68.868 -0.118 0.000 1.023 741 T HN 0.610 nan 8.240 nan 0.000 0.447 742 T N 2.595 117.216 114.554 0.112 0.000 2.821 742 T HA 0.486 4.836 4.350 -0.000 0.000 0.307 742 T C 0.607 175.369 174.700 0.104 0.000 1.034 742 T CA -0.478 61.747 62.100 0.208 0.000 0.953 742 T CB 1.026 70.046 68.868 0.252 0.000 0.968 742 T HN 0.636 nan 8.240 nan 0.000 0.462 743 S N 2.161 117.896 115.700 0.059 0.000 2.598 743 S HA 0.250 4.720 4.470 -0.000 0.000 0.267 743 S C 1.291 175.869 174.600 -0.036 0.000 1.189 743 S CA -0.333 57.871 58.200 0.006 0.000 1.010 743 S CB 0.994 64.192 63.200 -0.004 0.000 1.084 743 S HN 0.779 nan 8.310 nan 0.000 0.541 744 E N -0.988 119.183 120.200 -0.048 0.000 2.364 744 E HA 0.065 4.415 4.350 -0.000 0.000 0.196 744 E C 1.397 177.929 176.600 -0.114 0.000 0.990 744 E CA 0.122 56.482 56.400 -0.067 0.000 0.886 744 E CB -0.015 29.663 29.700 -0.037 0.000 0.866 744 E HN 0.578 nan 8.360 nan 0.000 0.493 745 M N 1.252 120.792 119.600 -0.101 0.000 2.501 745 M HA 0.161 4.641 4.480 -0.000 0.000 0.261 745 M C -0.317 175.893 176.300 -0.150 0.000 1.129 745 M CA 0.789 56.030 55.300 -0.098 0.000 1.126 745 M CB -0.255 32.320 32.600 -0.042 0.000 1.359 745 M HN 0.112 nan 8.290 nan 0.000 0.471 746 D N -2.092 118.185 120.400 -0.204 0.000 2.879 746 D HA 0.389 5.029 4.640 -0.000 0.000 0.346 746 D C -0.975 175.178 176.300 -0.245 0.000 1.390 746 D CA -0.701 53.142 54.000 -0.262 0.000 0.838 746 D CB 0.636 41.419 40.800 -0.029 0.000 1.416 746 D HN -0.039 nan 8.370 nan 0.000 0.493 750 E N 4.341 124.685 120.200 0.240 0.000 2.277 750 E HA 0.881 5.231 4.350 -0.000 0.000 0.266 750 E C -1.681 175.092 176.600 0.288 0.000 0.901 750 E CA -0.834 55.713 56.400 0.245 0.000 0.782 750 E CB 2.924 32.702 29.700 0.130 0.000 1.228 750 E HN 0.554 nan 8.360 nan 0.000 0.424 751 L N 3.798 125.179 121.223 0.264 0.000 2.929 751 L HA 0.461 4.801 4.340 -0.000 0.000 0.246 751 L C -0.148 176.804 176.870 0.136 0.000 0.960 751 L CA 0.720 55.696 54.840 0.226 0.000 1.056 751 L CB 0.801 43.046 42.059 0.310 0.000 1.437 751 L HN 0.757 nan 8.230 nan 0.000 0.514 752 G N 3.806 112.655 108.800 0.082 0.000 2.527 752 G HA2 -0.385 3.575 3.960 -0.000 0.000 0.268 752 G HA3 -0.385 3.575 3.960 -0.000 0.000 0.268 752 G C 0.565 175.465 174.900 0.000 0.000 1.175 752 G CA 0.475 45.597 45.100 0.038 0.000 0.962 752 G HN 1.059 nan 8.290 nan 0.000 0.560 753 N N 1.010 119.695 118.700 -0.025 0.000 2.396 753 N HA 0.006 4.746 4.740 -0.000 0.000 0.180 753 N C 0.834 176.282 175.510 -0.103 0.000 1.028 753 N CA 1.448 54.463 53.050 -0.057 0.000 0.893 753 N CB -0.155 38.301 38.487 -0.052 0.000 0.967 753 N HN 0.777 nan 8.380 nan 0.000 0.440 754 K N 0.386 120.705 120.400 -0.135 0.000 2.270 754 K HA 0.316 4.636 4.320 -0.000 0.000 0.276 754 K C -0.136 176.247 176.600 -0.362 0.000 1.023 754 K CA -0.076 56.005 56.287 -0.343 0.000 0.955 754 K CB 1.003 33.234 32.500 -0.447 0.000 0.975 754 K HN 0.047 nan 8.250 nan 0.000 0.471 755 R N 1.667 121.829 120.500 -0.564 0.000 2.604 755 R HA 0.356 4.696 4.340 -0.000 0.000 0.270 755 R C -1.698 174.470 176.300 -0.219 0.000 1.052 755 R CA -0.648 55.330 56.100 -0.204 0.000 0.902 755 R CB 1.349 31.596 30.300 -0.088 0.000 1.233 755 R HN 0.598 nan 8.270 nan 0.000 0.455 756 W N 3.035 124.441 121.300 0.177 0.000 2.883 756 W HA 0.344 5.004 4.660 -0.000 0.000 0.335 756 W C -0.746 175.853 176.519 0.132 0.000 1.083 756 W CA -0.555 56.851 57.345 0.101 0.000 1.233 756 W CB 2.258 31.748 29.460 0.050 0.000 1.412 756 W HN 0.428 nan 8.180 nan 0.000 0.490 757 Q N 2.649 122.583 119.800 0.223 0.000 2.337 757 Q HA 0.481 4.821 4.340 -0.000 0.000 0.270 757 Q C -2.021 173.904 176.000 -0.124 0.000 1.043 757 Q CA -0.504 55.411 55.803 0.186 0.000 0.794 757 Q CB 1.807 30.722 28.738 0.294 0.000 1.281 757 Q HN 0.372 nan 8.270 nan 0.000 0.446 758 F N 2.782 122.825 119.950 0.155 0.000 2.426 758 F HA 0.316 4.843 4.527 -0.000 0.000 0.348 758 F C 0.624 176.444 175.800 0.035 0.000 1.124 758 F CA -0.813 57.244 58.000 0.096 0.000 1.008 758 F CB 1.380 40.456 39.000 0.126 0.000 1.139 758 F HN 0.518 nan 8.300 nan 0.000 0.452 759 N N 3.477 122.275 118.700 0.164 0.000 2.497 759 N HA 0.076 4.816 4.740 -0.000 0.000 0.268 759 N C 0.885 176.396 175.510 0.001 0.000 1.171 759 N CA 0.049 53.140 53.050 0.069 0.000 0.948 759 N CB 0.794 39.332 38.487 0.085 0.000 1.069 759 N HN 0.708 nan 8.380 nan 0.000 0.460 760 R N 1.362 121.784 120.500 -0.130 0.000 2.236 760 R HA -0.029 4.311 4.340 -0.000 0.000 0.208 760 R C 1.458 177.681 176.300 -0.127 0.000 1.036 760 R CA 0.963 56.928 56.100 -0.225 0.000 1.001 760 R CB 0.242 30.292 30.300 -0.416 0.000 0.896 760 R HN 0.698 nan 8.270 nan 0.000 0.464 761 Q N -0.479 119.281 119.800 -0.067 0.000 2.373 761 Q HA 0.040 4.380 4.340 -0.000 0.000 0.210 761 Q C 1.741 177.724 176.000 -0.028 0.000 0.913 761 Q CA 1.212 56.987 55.803 -0.048 0.000 0.911 761 Q CB 0.241 28.966 28.738 -0.022 0.000 1.040 761 Q HN 0.223 nan 8.270 nan 0.000 0.521 762 S N 0.297 116.006 115.700 0.015 0.000 2.439 762 S HA 0.227 4.697 4.470 -0.000 0.000 0.224 762 S C 1.599 176.114 174.600 -0.141 0.000 1.029 762 S CA 0.791 59.030 58.200 0.064 0.000 0.946 762 S CB -0.078 63.284 63.200 0.270 0.000 0.797 762 S HN 0.585 nan 8.310 nan 0.000 0.504 763 G N 0.432 109.164 108.800 -0.113 0.000 2.143 763 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.248 763 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.248 763 G C -0.106 174.653 174.900 -0.235 0.000 0.991 763 G CA 0.365 45.363 45.100 -0.170 0.000 0.689 763 G HN 0.534 nan 8.290 nan 0.000 0.522 764 F N -1.361 118.774 119.950 0.309 0.000 2.575 764 F HA 0.680 5.207 4.527 -0.000 0.000 0.330 764 F C 0.465 176.338 175.800 0.123 0.000 1.056 764 F CA -1.470 56.690 58.000 0.265 0.000 0.964 764 F CB 1.383 40.484 39.000 0.168 0.000 1.258 764 F HN 0.011 nan 8.300 nan 0.000 0.484 765 L N 1.556 122.906 121.223 0.213 0.000 2.456 765 L HA 0.210 4.550 4.340 -0.000 0.000 0.277 765 L C 0.558 177.347 176.870 -0.136 0.000 1.124 765 L CA 0.785 55.365 54.840 -0.434 0.000 0.880 765 L CB 0.246 42.064 42.059 -0.402 0.000 1.192 765 L HN 0.635 nan 8.230 nan 0.000 0.463 766 S N 2.659 118.264 115.700 -0.158 0.000 2.456 766 S HA 0.144 4.614 4.470 -0.000 0.000 0.224 766 S C 0.343 174.849 174.600 -0.156 0.000 1.035 766 S CA 0.330 58.489 58.200 -0.068 0.000 0.940 766 S CB 0.040 63.240 63.200 0.001 0.000 0.799 766 S HN 0.741 nan 8.310 nan 0.000 0.508 767 Q N -0.152 119.502 119.800 -0.242 0.000 2.633 767 Q HA 0.626 4.966 4.340 -0.000 0.000 0.289 767 Q C -1.655 174.038 176.000 -0.512 0.000 0.940 767 Q CA -0.607 54.931 55.803 -0.441 0.000 0.785 767 Q CB 1.349 29.711 28.738 -0.627 0.000 1.467 767 Q HN 0.262 nan 8.270 nan 0.000 0.401 768 M N 0.324 119.481 119.600 -0.739 0.000 2.465 768 M HA 0.782 5.262 4.480 -0.000 0.000 0.284 768 M C -1.963 173.919 176.300 -0.696 0.000 1.212 768 M CA -0.288 54.659 55.300 -0.588 0.000 0.910 768 M CB 1.999 34.286 32.600 -0.521 0.000 1.725 768 M HN 0.510 nan 8.290 nan 0.000 0.477 769 W N 3.277 124.351 121.300 -0.376 0.000 2.844 769 W HA 0.693 5.353 4.660 -0.000 0.000 0.340 769 W C -1.524 174.789 176.519 -0.345 0.000 1.093 769 W CA -0.897 56.278 57.345 -0.283 0.000 1.212 769 W CB 2.001 31.330 29.460 -0.219 0.000 1.422 769 W HN 0.578 nan 8.180 nan 0.000 0.515 770 I N 2.140 122.716 120.570 0.010 0.000 2.418 770 I HA 0.452 4.622 4.170 -0.000 0.000 0.287 770 I C 0.829 176.945 176.117 -0.002 0.000 1.008 770 I CA 0.250 61.508 61.300 -0.071 0.000 1.104 770 I CB 1.269 39.199 38.000 -0.116 0.000 1.264 770 I HN 0.722 nan 8.210 nan 0.000 0.438 771 G N 5.595 114.381 108.800 -0.022 0.000 2.583 771 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.292 771 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.292 771 G C 0.322 175.244 174.900 0.036 0.000 1.203 771 G CA 0.518 45.611 45.100 -0.011 0.000 0.987 771 G HN 0.787 nan 8.290 nan 0.000 0.554 772 D N 0.745 121.180 120.400 0.058 0.000 2.402 772 D HA 0.231 4.871 4.640 -0.000 0.000 0.216 772 D C 0.585 177.025 176.300 0.233 0.000 1.128 772 D CA 0.133 54.202 54.000 0.114 0.000 0.833 772 D CB 0.376 41.199 40.800 0.037 0.000 0.971 772 D HN 0.440 nan 8.370 nan 0.000 0.503 773 K N 0.995 121.502 120.400 0.178 0.000 2.211 773 K HA 0.295 4.615 4.320 -0.000 0.000 0.275 773 K C -0.070 176.503 176.600 -0.045 0.000 1.024 773 K CA -0.505 55.826 56.287 0.073 0.000 0.887 773 K CB 1.851 34.350 32.500 -0.001 0.000 1.084 773 K HN -0.155 nan 8.250 nan 0.000 0.463 774 K N 1.812 122.090 120.400 -0.202 0.000 2.258 774 K HA 0.048 4.368 4.320 -0.000 0.000 0.264 774 K C 0.757 177.149 176.600 -0.348 0.000 1.007 774 K CA -0.157 55.792 56.287 -0.563 0.000 0.941 774 K CB 0.725 32.944 32.500 -0.469 0.000 0.966 774 K HN 0.434 nan 8.250 nan 0.000 0.480 775 Q N 0.987 120.555 119.800 -0.387 0.000 2.316 775 Q HA 0.214 4.554 4.340 -0.000 0.000 0.235 775 Q C -0.136 175.780 176.000 -0.140 0.000 0.863 775 Q CA 0.414 56.112 55.803 -0.174 0.000 0.939 775 Q CB 0.590 29.280 28.738 -0.080 0.000 1.108 775 Q HN 0.465 nan 8.270 nan 0.000 0.522 776 L N 0.748 121.837 121.223 -0.224 0.000 2.362 776 L HA 0.426 4.766 4.340 -0.000 0.000 0.271 776 L C 0.840 177.585 176.870 -0.208 0.000 1.002 776 L CA -0.462 54.268 54.840 -0.183 0.000 0.818 776 L CB 1.679 43.636 42.059 -0.170 0.000 1.298 776 L HN -0.119 nan 8.230 nan 0.000 0.420 777 L N -0.547 120.544 121.223 -0.220 0.000 2.513 777 L HA 0.275 4.615 4.340 -0.000 0.000 0.222 777 L C 0.429 177.186 176.870 -0.188 0.000 1.096 777 L CA 0.561 55.276 54.840 -0.208 0.000 0.857 777 L CB 0.053 41.974 42.059 -0.229 0.000 1.026 777 L HN 0.577 nan 8.230 nan 0.000 0.469 778 T N 0.605 115.033 114.554 -0.210 0.000 2.912 778 T HA 0.428 4.778 4.350 -0.000 0.000 0.299 778 T C -2.655 171.989 174.700 -0.092 0.000 1.052 778 T CA -1.166 60.853 62.100 -0.135 0.000 0.996 778 T CB 2.631 71.396 68.868 -0.171 0.000 1.070 778 T HN -0.225 nan 8.240 nan 0.000 0.465 779 P HA 0.229 nan 4.420 nan 0.000 0.272 779 P C -0.669 176.605 177.300 -0.043 0.000 1.223 779 P CA -0.734 62.348 63.100 -0.031 0.000 0.784 779 P CB 0.445 32.153 31.700 0.013 0.000 0.923 780 L N 3.925 125.160 121.223 0.020 0.000 2.361 780 L HA 0.291 4.631 4.340 -0.000 0.000 0.278 780 L C 0.578 177.390 176.870 -0.096 0.000 1.113 780 L CA 0.586 55.459 54.840 0.055 0.000 0.849 780 L CB -0.541 41.661 42.059 0.238 0.000 1.155 780 L HN 0.465 nan 8.230 nan 0.000 0.452 781 R N 2.098 122.486 120.500 -0.187 0.000 2.734 781 R HA 0.487 4.827 4.340 -0.000 0.000 0.271 781 R C -1.215 174.963 176.300 -0.203 0.000 1.021 781 R CA -0.970 54.901 56.100 -0.382 0.000 0.893 781 R CB 0.409 30.131 30.300 -0.963 0.000 1.244 781 R HN 0.436 nan 8.270 nan 0.000 0.464 782 D N 0.986 121.311 120.400 -0.126 0.000 2.423 782 D HA 0.094 4.734 4.640 -0.000 0.000 0.238 782 D C -0.443 175.495 176.300 -0.604 0.000 1.142 782 D CA 0.455 54.241 54.000 -0.357 0.000 0.884 782 D CB 0.636 41.190 40.800 -0.411 0.000 1.199 782 D HN 0.353 nan 8.370 nan 0.000 0.438 783 Q N 1.134 120.356 119.800 -0.964 0.000 2.271 783 Q HA 0.320 4.660 4.340 -0.000 0.000 0.268 783 Q C -1.224 174.047 176.000 -1.215 0.000 1.021 783 Q CA -0.580 54.705 55.803 -0.862 0.000 0.802 783 Q CB 0.794 29.252 28.738 -0.466 0.000 1.282 783 Q HN 0.547 nan 8.270 nan 0.000 0.431 784 F N 0.736 120.344 119.950 -0.570 0.000 2.706 784 F HA 0.198 4.725 4.527 -0.000 0.000 0.313 784 F C 0.774 176.190 175.800 -0.641 0.000 1.096 784 F CA -0.124 57.447 58.000 -0.715 0.000 1.219 784 F CB 1.425 39.758 39.000 -1.111 0.000 1.051 784 F HN 0.452 nan 8.300 nan 0.000 0.568 785 T N -0.981 113.314 114.554 -0.432 0.000 2.858 785 T HA 0.764 5.114 4.350 -0.000 0.000 0.285 785 T C -0.586 173.888 174.700 -0.377 0.000 1.052 785 T CA -0.983 60.787 62.100 -0.550 0.000 1.009 785 T CB 2.757 71.255 68.868 -0.617 0.000 1.241 785 T HN 0.227 nan 8.240 nan 0.000 0.542 786 R N -0.413 119.901 120.500 -0.310 0.000 2.774 786 R HA 0.751 5.091 4.340 -0.000 0.000 0.272 786 R C -1.093 175.273 176.300 0.110 0.000 1.000 786 R CA -1.176 54.871 56.100 -0.089 0.000 0.906 786 R CB 1.502 31.755 30.300 -0.078 0.000 1.227 786 R HN 0.846 nan 8.270 nan 0.000 0.468 787 A N 3.253 126.119 122.820 0.077 0.000 2.444 787 A HA 0.329 4.649 4.320 -0.000 0.000 0.287 787 A C -2.060 175.599 177.584 0.125 0.000 1.195 787 A CA -1.459 50.625 52.037 0.079 0.000 0.858 787 A CB -0.456 18.544 19.000 0.000 0.000 1.117 787 A HN 0.519 nan 8.150 nan 0.000 0.521 788 P HA 0.017 nan 4.420 nan 0.000 0.263 788 P C -0.276 177.143 177.300 0.198 0.000 1.168 788 P CA 0.586 63.846 63.100 0.267 0.000 0.759 788 P CB 0.294 32.172 31.700 0.297 0.000 0.782 789 L N 2.395 123.706 121.223 0.147 0.000 2.416 789 L HA 0.226 4.566 4.340 -0.000 0.000 0.262 789 L C 1.755 178.649 176.870 0.040 0.000 1.093 789 L CA -0.623 54.243 54.840 0.044 0.000 0.801 789 L CB 0.252 42.271 42.059 -0.066 0.000 1.191 789 L HN 0.311 nan 8.230 nan 0.000 0.459 790 D N 0.582 120.954 120.400 -0.046 0.000 2.116 790 D HA -0.183 4.457 4.640 -0.000 0.000 0.193 790 D C 1.587 177.870 176.300 -0.028 0.000 0.998 790 D CA 1.584 55.520 54.000 -0.107 0.000 0.836 790 D CB 0.059 40.754 40.800 -0.176 0.000 0.951 790 D HN 0.503 nan 8.370 nan 0.000 0.449 791 N N 1.186 119.868 118.700 -0.029 0.000 2.149 791 N HA -0.133 4.607 4.740 -0.000 0.000 0.188 791 N C 1.230 176.771 175.510 0.051 0.000 1.019 791 N CA 0.867 53.918 53.050 0.001 0.000 0.857 791 N CB -0.329 38.137 38.487 -0.035 0.000 0.997 791 N HN 0.286 nan 8.380 nan 0.000 0.426 792 D N 0.309 120.755 120.400 0.077 0.000 2.224 792 D HA 0.006 4.646 4.640 -0.000 0.000 0.205 792 D C 2.001 178.368 176.300 0.112 0.000 0.965 792 D CA 0.381 54.465 54.000 0.141 0.000 0.852 792 D CB 0.023 40.980 40.800 0.262 0.000 0.947 792 D HN 0.333 nan 8.370 nan 0.000 0.494 793 I N 0.472 121.092 120.570 0.082 0.000 2.400 793 I HA -0.007 4.163 4.170 -0.000 0.000 0.248 793 I C 1.108 177.238 176.117 0.021 0.000 1.109 793 I CA 0.451 61.781 61.300 0.050 0.000 1.425 793 I CB -0.276 37.734 38.000 0.017 0.000 1.094 793 I HN -0.018 nan 8.210 nan 0.000 0.425 794 G N 2.830 111.652 108.800 0.037 0.000 2.247 794 G HA2 -0.124 3.836 3.960 -0.000 0.000 0.260 794 G HA3 -0.124 3.836 3.960 -0.000 0.000 0.260 794 G C -0.146 174.790 174.900 0.060 0.000 0.852 794 G CA 0.579 45.718 45.100 0.064 0.000 1.281 794 G HN 0.442 nan 8.290 nan 0.000 0.378 795 V N -1.047 118.899 119.914 0.053 0.000 2.841 795 V HA 0.903 5.023 4.120 -0.000 0.000 0.310 795 V C 0.630 176.614 176.094 -0.183 0.000 1.090 795 V CA 0.194 62.463 62.300 -0.051 0.000 0.930 795 V CB 1.743 33.508 31.823 -0.097 0.000 1.014 795 V HN 1.097 nan 8.190 nan 0.000 0.425 796 S N 1.367 116.777 115.700 -0.483 0.000 2.506 796 S HA 0.363 4.833 4.470 -0.000 0.000 0.219 796 S C 0.281 174.190 174.600 -1.153 0.000 1.031 796 S CA -0.115 57.302 58.200 -1.304 0.000 0.911 796 S CB -0.079 62.253 63.200 -1.445 0.000 0.812 796 S HN 0.858 nan 8.310 nan 0.000 0.497 797 E N 0.785 120.611 120.200 -0.622 0.000 2.241 797 E HA 0.586 4.936 4.350 -0.000 0.000 0.263 797 E C 0.356 176.790 176.600 -0.277 0.000 0.882 797 E CA -0.285 55.852 56.400 -0.439 0.000 0.769 797 E CB 1.860 31.331 29.700 -0.381 0.000 1.185 797 E HN 0.221 nan 8.360 nan 0.000 0.415 798 A N 2.820 125.515 122.820 -0.208 0.000 1.971 798 A HA -0.267 4.053 4.320 -0.000 0.000 0.222 798 A C 2.003 179.530 177.584 -0.096 0.000 1.182 798 A CA 2.613 54.581 52.037 -0.114 0.000 0.649 798 A CB -0.801 18.162 19.000 -0.063 0.000 0.818 798 A HN 0.653 nan 8.150 nan 0.000 0.458 799 T N -0.165 114.318 114.554 -0.118 0.000 2.708 799 T HA -0.067 4.283 4.350 -0.000 0.000 0.266 799 T C 0.961 175.603 174.700 -0.097 0.000 1.037 799 T CA 1.270 63.310 62.100 -0.100 0.000 1.146 799 T CB -0.192 68.603 68.868 -0.122 0.000 0.865 799 T HN 0.593 nan 8.240 nan 0.000 0.435 800 R N 1.954 122.378 120.500 -0.127 0.000 2.207 800 R HA 0.527 4.867 4.340 -0.000 0.000 0.334 800 R C -0.664 175.575 176.300 -0.102 0.000 1.013 800 R CA -0.600 55.431 56.100 -0.115 0.000 0.858 800 R CB 0.512 30.729 30.300 -0.139 0.000 1.094 800 R HN 0.374 nan 8.270 nan 0.000 0.457 801 I N -1.286 119.239 120.570 -0.075 0.000 2.385 801 I HA 0.349 4.519 4.170 -0.000 0.000 0.294 801 I C -0.479 175.600 176.117 -0.063 0.000 0.988 801 I CA -0.455 60.808 61.300 -0.062 0.000 1.265 801 I CB 1.464 39.438 38.000 -0.044 0.000 1.388 801 I HN 0.326 nan 8.210 nan 0.000 0.480 802 D N 7.680 128.041 120.400 -0.065 0.000 2.427 802 D HA 0.431 5.071 4.640 -0.000 0.000 0.226 802 D C -1.820 174.421 176.300 -0.098 0.000 1.076 802 D CA -2.413 51.540 54.000 -0.078 0.000 0.849 802 D CB 1.712 42.468 40.800 -0.075 0.000 1.052 802 D HN 0.373 nan 8.370 nan 0.000 0.515 803 P HA -0.103 nan 4.420 nan 0.000 0.223 803 P C 0.568 177.768 177.300 -0.166 0.000 1.144 803 P CA 0.734 63.770 63.100 -0.107 0.000 0.783 803 P CB 0.410 32.056 31.700 -0.089 0.000 0.771 804 N N -0.514 118.072 118.700 -0.191 0.000 2.353 804 N HA 0.086 4.826 4.740 -0.000 0.000 0.185 804 N C 0.754 176.027 175.510 -0.395 0.000 1.098 804 N CA 0.087 52.964 53.050 -0.287 0.000 0.872 804 N CB -0.054 38.286 38.487 -0.246 0.000 0.970 804 N HN 0.098 nan 8.380 nan 0.000 0.467 805 A N 0.073 122.724 122.820 -0.281 0.000 2.498 805 A HA 0.029 4.349 4.320 -0.000 0.000 0.239 805 A C 0.833 178.170 177.584 -0.413 0.000 1.068 805 A CA -0.327 51.544 52.037 -0.276 0.000 0.766 805 A CB 0.028 18.953 19.000 -0.125 0.000 1.003 805 A HN 0.330 nan 8.150 nan 0.000 0.497 806 W N 1.770 122.788 121.300 -0.470 0.000 2.302 806 W HA -0.225 4.435 4.660 -0.000 0.000 0.320 806 W C 2.254 178.172 176.519 -1.001 0.000 1.241 806 W CA 1.926 58.688 57.345 -0.971 0.000 1.264 806 W CB -0.459 28.298 29.460 -1.171 0.000 1.154 806 W HN 0.551 nan 8.180 nan 0.000 0.483 807 V N 0.626 120.426 119.914 -0.191 0.000 2.332 807 V HA -0.294 3.826 4.120 -0.000 0.000 0.248 807 V C 2.303 178.477 176.094 0.133 0.000 1.055 807 V CA 2.209 64.622 62.300 0.188 0.000 1.038 807 V CB -0.466 31.506 31.823 0.249 0.000 0.651 807 V HN 0.072 nan 8.190 nan 0.000 0.450 808 E N 0.187 120.369 120.200 -0.030 0.000 2.058 808 E HA -0.189 4.161 4.350 -0.000 0.000 0.194 808 E C 2.379 178.944 176.600 -0.058 0.000 0.997 808 E CA 1.442 57.819 56.400 -0.037 0.000 0.801 808 E CB -0.370 29.272 29.700 -0.096 0.000 0.746 808 E HN 0.628 nan 8.360 nan 0.000 0.450 809 R N -0.445 119.938 120.500 -0.195 0.000 2.075 809 R HA -0.125 4.215 4.340 -0.000 0.000 0.232 809 R C 2.315 178.561 176.300 -0.090 0.000 1.126 809 R CA 1.113 57.083 56.100 -0.217 0.000 0.963 809 R CB -0.434 29.613 30.300 -0.422 0.000 0.858 809 R HN 0.274 nan 8.270 nan 0.000 0.435 810 W N 1.983 123.239 121.300 -0.073 0.000 2.358 810 W HA -0.033 4.627 4.660 -0.000 0.000 0.303 810 W C 2.062 178.547 176.519 -0.057 0.000 1.208 810 W CA 0.388 57.596 57.345 -0.228 0.000 1.274 810 W CB -0.577 28.867 29.460 -0.026 0.000 1.138 810 W HN 0.120 nan 8.180 nan 0.000 0.515 811 K N -0.002 120.628 120.400 0.384 0.000 1.985 811 K HA -0.119 4.201 4.320 -0.000 0.000 0.210 811 K C 2.200 178.886 176.600 0.144 0.000 1.047 811 K CA 1.739 58.219 56.287 0.322 0.000 0.932 811 K CB -0.649 31.983 32.500 0.220 0.000 0.716 811 K HN -0.025 nan 8.250 nan 0.000 0.439 812 A N 1.197 124.067 122.820 0.082 0.000 2.024 812 A HA -0.139 4.181 4.320 -0.000 0.000 0.220 812 A C 2.186 179.781 177.584 0.018 0.000 1.164 812 A CA 1.928 53.990 52.037 0.043 0.000 0.643 812 A CB -0.491 18.515 19.000 0.010 0.000 0.806 812 A HN 0.392 nan 8.150 nan 0.000 0.451 813 A N -2.125 120.688 122.820 -0.011 0.000 2.123 813 A HA 0.395 4.715 4.320 -0.000 0.000 0.214 813 A C 1.891 179.408 177.584 -0.112 0.000 1.152 813 A CA 1.305 53.336 52.037 -0.011 0.000 0.728 813 A CB -0.717 18.260 19.000 -0.039 0.000 0.814 813 A HN 1.888 nan 8.150 nan 0.000 0.464 814 G N -1.821 106.857 108.800 -0.204 0.000 2.141 814 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.231 814 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.231 814 G C 0.611 175.478 174.900 -0.054 0.000 0.984 814 G CA 0.612 45.386 45.100 -0.543 0.000 0.660 814 G HN 0.705 nan 8.290 nan 0.000 0.525 815 H N -1.302 117.721 119.070 -0.078 0.000 2.387 815 H HA -0.112 4.444 4.556 -0.000 0.000 0.299 815 H C 2.177 177.458 175.328 -0.079 0.000 1.099 815 H CA 1.650 57.654 56.048 -0.074 0.000 1.315 815 H CB 0.091 29.732 29.762 -0.201 0.000 1.380 815 H HN 0.615 nan 8.280 nan 0.000 0.513 816 Y N 0.738 121.156 120.300 0.196 0.000 2.509 816 Y HA -0.103 4.447 4.550 -0.000 0.000 0.293 816 Y C 1.800 177.779 175.900 0.133 0.000 1.133 816 Y CA 0.669 58.849 58.100 0.133 0.000 1.283 816 Y CB 0.414 38.941 38.460 0.113 0.000 1.001 816 Y HN 0.358 nan 8.280 nan 0.000 0.555 817 Q N -0.648 119.311 119.800 0.265 0.000 2.106 817 Q HA 0.464 4.804 4.340 -0.000 0.000 0.273 817 Q C -0.290 175.889 176.000 0.298 0.000 0.853 817 Q CA -0.378 55.581 55.803 0.259 0.000 1.118 817 Q CB 0.416 29.299 28.738 0.242 0.000 1.240 817 Q HN 0.127 nan 8.270 nan 0.000 0.445 818 A N 1.154 124.160 122.820 0.309 0.000 2.351 818 A HA 0.375 4.696 4.320 -0.000 0.000 0.257 818 A C -0.094 177.753 177.584 0.439 0.000 1.087 818 A CA -0.217 52.050 52.037 0.383 0.000 0.798 818 A CB 0.538 19.762 19.000 0.373 0.000 1.033 818 A HN 0.313 nan 8.150 nan 0.000 0.488 819 E N 0.699 121.096 120.200 0.328 0.000 2.156 819 E HA 0.473 4.823 4.350 -0.000 0.000 0.279 819 E C -0.095 176.486 176.600 -0.033 0.000 0.965 819 E CA -0.233 56.276 56.400 0.180 0.000 0.789 819 E CB 1.770 31.542 29.700 0.120 0.000 1.098 819 E HN 0.725 nan 8.360 nan 0.000 0.397 820 A N 2.339 125.005 122.820 -0.257 0.000 2.371 820 A HA 0.604 4.924 4.320 -0.000 0.000 0.257 820 A C -0.255 177.154 177.584 -0.291 0.000 1.089 820 A CA -0.121 51.462 52.037 -0.757 0.000 0.794 820 A CB 0.571 19.063 19.000 -0.847 0.000 1.029 820 A HN 0.561 nan 8.150 nan 0.000 0.488 821 A N 1.891 124.543 122.820 -0.280 0.000 2.375 821 A HA 0.559 4.879 4.320 -0.000 0.000 0.295 821 A C -0.786 176.710 177.584 -0.146 0.000 1.066 821 A CA -0.551 51.409 52.037 -0.128 0.000 0.722 821 A CB 0.756 19.708 19.000 -0.080 0.000 1.206 821 A HN 1.170 nan 8.150 nan 0.000 0.435 822 L N 3.373 124.492 121.223 -0.174 0.000 2.418 822 L HA 0.284 4.624 4.340 -0.000 0.000 0.274 822 L C 0.568 177.302 176.870 -0.227 0.000 1.135 822 L CA 0.029 54.660 54.840 -0.347 0.000 0.870 822 L CB 0.091 41.959 42.059 -0.317 0.000 1.154 822 L HN 0.804 nan 8.230 nan 0.000 0.462 823 L N 3.652 124.732 121.223 -0.237 0.000 2.357 823 L HA 0.225 4.565 4.340 -0.000 0.000 0.211 823 L C 0.472 177.275 176.870 -0.112 0.000 1.075 823 L CA 0.185 54.953 54.840 -0.120 0.000 0.830 823 L CB 0.085 42.108 42.059 -0.061 0.000 0.996 823 L HN 0.800 nan 8.230 nan 0.000 0.467 824 Q N -0.655 119.045 119.800 -0.166 0.000 2.617 824 Q HA 0.296 4.636 4.340 -0.000 0.000 0.270 824 Q C -1.935 173.999 176.000 -0.111 0.000 0.967 824 Q CA -0.762 54.979 55.803 -0.104 0.000 0.887 824 Q CB 2.284 30.993 28.738 -0.049 0.000 1.516 824 Q HN 0.016 nan 8.270 nan 0.000 0.395 825 C N 2.766 122.041 119.300 -0.041 0.000 2.705 825 C HA 0.893 5.353 4.460 -0.000 0.000 0.369 825 C C -1.099 173.955 174.990 0.107 0.000 1.069 825 C CA 0.758 59.790 59.018 0.023 0.000 1.260 825 C CB 0.846 28.596 27.740 0.017 0.000 1.764 825 C HN 0.906 nan 8.230 nan 0.000 0.469 826 T N 2.790 117.373 114.554 0.048 0.000 2.883 826 T HA 0.891 5.241 4.350 -0.000 0.000 0.301 826 T C -0.593 173.954 174.700 -0.256 0.000 1.158 826 T CA -0.061 62.023 62.100 -0.026 0.000 1.007 826 T CB 1.804 70.650 68.868 -0.037 0.000 1.186 826 T HN 1.987 nan 8.240 nan 0.000 0.499 827 A N 1.661 124.206 122.820 -0.458 0.000 2.401 827 A HA 0.841 5.161 4.320 -0.000 0.000 0.310 827 A C -1.236 176.127 177.584 -0.369 0.000 1.075 827 A CA -0.645 51.013 52.037 -0.633 0.000 0.746 827 A CB 1.450 19.654 19.000 -1.327 0.000 1.277 827 A HN 0.894 nan 8.150 nan 0.000 0.425 828 D N 0.291 120.520 120.400 -0.285 0.000 2.736 828 D HA 0.451 5.091 4.640 -0.000 0.000 0.223 828 D C -1.311 174.903 176.300 -0.142 0.000 1.231 828 D CA -0.011 53.884 54.000 -0.174 0.000 0.818 828 D CB 2.436 43.164 40.800 -0.121 0.000 1.587 828 D HN 0.448 nan 8.370 nan 0.000 0.463 829 T N 1.513 116.008 114.554 -0.098 0.000 2.758 829 T HA 0.513 4.863 4.350 -0.000 0.000 0.285 829 T C 0.122 174.793 174.700 -0.049 0.000 0.981 829 T CA -0.584 61.474 62.100 -0.069 0.000 0.965 829 T CB 1.091 69.934 68.868 -0.043 0.000 0.927 829 T HN 0.057 nan 8.240 nan 0.000 0.448 830 L N 1.674 122.869 121.223 -0.047 0.000 2.376 830 L HA 0.679 5.019 4.340 -0.000 0.000 0.267 830 L C 1.807 178.663 176.870 -0.024 0.000 1.035 830 L CA -0.501 54.319 54.840 -0.034 0.000 0.800 830 L CB 0.110 42.147 42.059 -0.036 0.000 1.290 830 L HN 0.721 nan 8.230 nan 0.000 0.462 831 A N -0.173 122.636 122.820 -0.018 0.000 1.933 831 A HA -0.147 4.173 4.320 -0.000 0.000 0.218 831 A C 0.947 178.524 177.584 -0.012 0.000 1.175 831 A CA 2.033 54.062 52.037 -0.012 0.000 0.628 831 A CB -0.707 18.288 19.000 -0.009 0.000 0.814 831 A HN 0.862 nan 8.150 nan 0.000 0.444 832 D N -2.472 117.917 120.400 -0.017 0.000 2.500 832 D HA 0.564 5.204 4.640 -0.000 0.000 0.217 832 D C 0.235 176.519 176.300 -0.026 0.000 1.159 832 D CA 0.660 54.648 54.000 -0.019 0.000 0.828 832 D CB 0.501 41.290 40.800 -0.018 0.000 1.039 832 D HN 0.512 nan 8.370 nan 0.000 0.512 833 A N -0.410 122.390 122.820 -0.033 0.000 2.511 833 A HA 0.619 4.939 4.320 -0.000 0.000 0.293 833 A C -1.749 175.796 177.584 -0.066 0.000 1.098 833 A CA -0.787 51.219 52.037 -0.051 0.000 0.643 833 A CB 0.764 19.732 19.000 -0.054 0.000 1.302 833 A HN -0.015 nan 8.150 nan 0.000 0.446 834 V N 0.311 120.166 119.914 -0.097 0.000 2.547 834 V HA 0.690 4.810 4.120 -0.000 0.000 0.299 834 V C -0.873 175.135 176.094 -0.142 0.000 1.040 834 V CA -0.476 61.748 62.300 -0.127 0.000 0.913 834 V CB 1.358 33.091 31.823 -0.150 0.000 0.992 834 V HN 0.825 nan 8.190 nan 0.000 0.449 835 L N 5.780 126.909 121.223 -0.156 0.000 2.376 835 L HA 0.655 4.995 4.340 -0.000 0.000 0.275 835 L C -0.913 175.837 176.870 -0.201 0.000 0.987 835 L CA -0.068 54.688 54.840 -0.139 0.000 0.828 835 L CB 1.414 43.416 42.059 -0.096 0.000 1.249 835 L HN 0.405 nan 8.230 nan 0.000 0.409 836 I N 3.686 124.148 120.570 -0.180 0.000 2.441 836 I HA 0.530 4.700 4.170 -0.000 0.000 0.295 836 I C -0.045 176.061 176.117 -0.019 0.000 0.994 836 I CA -0.380 60.774 61.300 -0.242 0.000 1.144 836 I CB 1.723 39.365 38.000 -0.597 0.000 1.314 836 I HN 0.525 nan 8.210 nan 0.000 0.445 837 T N 4.522 119.052 114.554 -0.041 0.000 2.879 837 T HA 0.630 4.980 4.350 -0.000 0.000 0.290 837 T C -0.001 174.739 174.700 0.067 0.000 0.993 837 T CA -0.533 61.593 62.100 0.042 0.000 0.975 837 T CB 1.754 70.621 68.868 -0.002 0.000 0.981 837 T HN 0.805 nan 8.240 nan 0.000 0.439 838 T N -0.220 114.418 114.554 0.139 0.000 2.901 838 T HA 0.911 5.261 4.350 -0.000 0.000 0.293 838 T C -1.137 173.631 174.700 0.112 0.000 1.084 838 T CA -1.110 61.056 62.100 0.109 0.000 1.008 838 T CB 2.099 71.118 68.868 0.251 0.000 1.170 838 T HN 0.789 nan 8.240 nan 0.000 0.509 839 A N 1.434 124.244 122.820 -0.016 0.000 2.465 839 A HA 0.713 5.033 4.320 -0.000 0.000 0.292 839 A C -1.492 176.030 177.584 -0.104 0.000 1.041 839 A CA -0.790 51.286 52.037 0.066 0.000 0.718 839 A CB 0.723 19.748 19.000 0.042 0.000 1.266 839 A HN 0.985 nan 8.150 nan 0.000 0.403 840 H N 0.259 119.393 119.070 0.107 0.000 2.797 840 H HA 0.850 5.406 4.556 -0.000 0.000 0.372 840 H C 0.029 175.411 175.328 0.090 0.000 1.168 840 H CA 0.157 56.191 56.048 -0.024 0.000 1.163 840 H CB 2.107 31.729 29.762 -0.234 0.000 1.778 840 H HN 1.015 nan 8.280 nan 0.000 0.551 841 A N 1.332 124.198 122.820 0.076 0.000 2.371 841 A HA 0.468 4.788 4.320 -0.000 0.000 0.311 841 A C -1.414 176.239 177.584 0.115 0.000 1.068 841 A CA -0.721 51.437 52.037 0.203 0.000 0.744 841 A CB 1.209 20.281 19.000 0.119 0.000 1.239 841 A HN 0.582 nan 8.150 nan 0.000 0.435 842 W N 2.220 123.611 121.300 0.151 0.000 2.429 842 W HA 0.420 5.080 4.660 -0.000 0.000 0.314 842 W C -0.316 176.189 176.519 -0.023 0.000 1.062 842 W CA -0.298 57.117 57.345 0.117 0.000 1.211 842 W CB 1.697 31.270 29.460 0.187 0.000 1.305 842 W HN 0.773 nan 8.180 nan 0.000 0.476 843 Q N 1.857 121.785 119.800 0.214 0.000 2.496 843 Q HA 0.479 4.819 4.340 -0.000 0.000 0.286 843 Q C -1.027 175.099 176.000 0.210 0.000 1.103 843 Q CA -0.970 54.913 55.803 0.135 0.000 0.813 843 Q CB 3.500 32.285 28.738 0.079 0.000 1.444 843 Q HN 0.447 nan 8.270 nan 0.000 0.443 844 H N 0.799 119.892 119.070 0.039 0.000 3.240 844 H HA 0.051 4.607 4.556 -0.000 0.000 0.329 844 H C -0.968 174.385 175.328 0.042 0.000 1.024 844 H CA 0.029 56.111 56.048 0.056 0.000 1.487 844 H CB 0.960 30.763 29.762 0.068 0.000 1.909 844 H HN 0.865 nan 8.280 nan 0.000 0.465 845 Q N 3.218 122.803 119.800 -0.358 0.000 2.453 845 Q HA -0.236 4.104 4.340 -0.000 0.000 0.294 845 Q C 0.944 176.900 176.000 -0.074 0.000 1.295 845 Q CA 1.137 56.795 55.803 -0.241 0.000 0.853 845 Q CB -1.464 27.095 28.738 -0.299 0.000 1.193 845 Q HN 1.171 nan 8.270 nan 0.000 0.461 846 G N -0.190 108.587 108.800 -0.037 0.000 2.205 846 G HA2 -0.378 3.582 3.960 -0.000 0.000 0.261 846 G HA3 -0.378 3.582 3.960 -0.000 0.000 0.261 846 G C 0.069 174.977 174.900 0.014 0.000 0.980 846 G CA 0.675 45.772 45.100 -0.006 0.000 0.632 846 G HN 0.378 nan 8.290 nan 0.000 0.533 847 K N 1.227 121.645 120.400 0.030 0.000 2.156 847 K HA 0.620 4.940 4.320 -0.000 0.000 0.271 847 K C -0.132 176.480 176.600 0.020 0.000 0.995 847 K CA -0.122 56.184 56.287 0.032 0.000 0.890 847 K CB 0.860 33.386 32.500 0.044 0.000 1.073 847 K HN 0.011 nan 8.250 nan 0.000 0.454 848 T N 5.732 120.288 114.554 0.002 0.000 2.728 848 T HA 0.231 4.581 4.350 -0.000 0.000 0.296 848 T C 1.094 175.728 174.700 -0.110 0.000 0.940 848 T CA -0.565 61.527 62.100 -0.012 0.000 1.013 848 T CB 0.539 69.422 68.868 0.026 0.000 0.912 848 T HN 0.529 nan 8.240 nan 0.000 0.484 849 L N 1.994 123.035 121.223 -0.304 0.000 2.168 849 L HA 0.355 4.695 4.340 -0.000 0.000 0.203 849 L C -0.072 176.310 176.870 -0.814 0.000 1.078 849 L CA 0.860 55.249 54.840 -0.752 0.000 0.780 849 L CB -0.035 41.105 42.059 -1.532 0.000 0.939 849 L HN 0.527 nan 8.230 nan 0.000 0.451 850 F N -1.084 118.817 119.950 -0.082 0.000 2.626 850 F HA 0.593 5.120 4.527 -0.000 0.000 0.311 850 F C -0.519 175.377 175.800 0.159 0.000 1.088 850 F CA -0.865 57.053 58.000 -0.137 0.000 0.949 850 F CB 1.983 40.567 39.000 -0.694 0.000 1.322 850 F HN -0.326 nan 8.300 nan 0.000 0.461 851 I N 1.422 122.229 120.570 0.394 0.000 2.466 851 I HA 0.404 4.574 4.170 -0.000 0.000 0.289 851 I C -0.888 175.493 176.117 0.440 0.000 1.026 851 I CA -0.573 60.980 61.300 0.421 0.000 1.078 851 I CB 2.227 40.390 38.000 0.271 0.000 1.249 851 I HN 0.568 nan 8.210 nan 0.000 0.429 852 S N 6.717 122.773 115.700 0.594 0.000 2.552 852 S HA 0.605 5.075 4.470 -0.000 0.000 0.314 852 S C -0.768 174.084 174.600 0.420 0.000 1.099 852 S CA -0.670 57.849 58.200 0.532 0.000 1.070 852 S CB 0.790 64.422 63.200 0.718 0.000 0.998 852 S HN 0.583 nan 8.310 nan 0.000 0.474 853 R N 3.433 124.102 120.500 0.282 0.000 2.480 853 R HA 0.556 4.896 4.340 -0.000 0.000 0.306 853 R C -0.756 175.623 176.300 0.130 0.000 0.958 853 R CA -0.777 55.447 56.100 0.206 0.000 0.861 853 R CB 1.931 32.325 30.300 0.157 0.000 1.171 853 R HN 0.550 nan 8.270 nan 0.000 0.445 854 K N 0.669 121.142 120.400 0.122 0.000 2.433 854 K HA 0.558 4.878 4.320 -0.000 0.000 0.252 854 K C -0.730 175.856 176.600 -0.024 0.000 1.015 854 K CA -0.970 55.307 56.287 -0.016 0.000 0.860 854 K CB 2.445 34.889 32.500 -0.095 0.000 1.359 854 K HN 0.624 nan 8.250 nan 0.000 0.452 855 T N -1.414 113.037 114.554 -0.171 0.000 2.952 855 T HA 0.534 4.884 4.350 -0.000 0.000 0.305 855 T C -1.456 173.118 174.700 -0.210 0.000 1.064 855 T CA -0.786 61.265 62.100 -0.082 0.000 1.008 855 T CB 0.430 69.281 68.868 -0.028 0.000 1.078 855 T HN 0.408 nan 8.240 nan 0.000 0.459 856 Y N 1.249 121.530 120.300 -0.032 0.000 2.350 856 Y HA 0.704 5.254 4.550 -0.000 0.000 0.338 856 Y C 0.392 176.239 175.900 -0.088 0.000 0.961 856 Y CA -1.100 56.989 58.100 -0.019 0.000 1.100 856 Y CB 2.016 40.481 38.460 0.009 0.000 1.179 856 Y HN 0.807 nan 8.280 nan 0.000 0.454 857 R N 4.905 125.453 120.500 0.079 0.000 2.483 857 R HA 0.632 4.972 4.340 -0.000 0.000 0.303 857 R C -2.000 174.261 176.300 -0.065 0.000 0.987 857 R CA -0.382 55.710 56.100 -0.013 0.000 0.881 857 R CB 0.834 31.127 30.300 -0.013 0.000 1.177 857 R HN 0.819 nan 8.270 nan 0.000 0.451 858 I N 4.590 125.067 120.570 -0.154 0.000 2.362 858 I HA 0.267 4.437 4.170 -0.000 0.000 0.289 858 I C -0.382 175.635 176.117 -0.167 0.000 0.994 858 I CA -0.944 60.203 61.300 -0.254 0.000 1.158 858 I CB 1.609 39.294 38.000 -0.526 0.000 1.315 858 I HN 0.708 nan 8.210 nan 0.000 0.451 859 D N 4.028 124.360 120.400 -0.113 0.000 2.506 859 D HA 0.296 4.936 4.640 -0.000 0.000 0.254 859 D C 1.232 177.513 176.300 -0.032 0.000 1.089 859 D CA -0.693 53.272 54.000 -0.059 0.000 1.050 859 D CB 0.960 41.741 40.800 -0.032 0.000 1.221 859 D HN 0.501 nan 8.370 nan 0.000 0.589 860 G N -1.217 107.572 108.800 -0.019 0.000 2.498 860 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.219 860 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.219 860 G C 1.172 176.076 174.900 0.008 0.000 1.119 860 G CA 1.081 46.179 45.100 -0.004 0.000 0.766 860 G HN 0.557 nan 8.290 nan 0.000 0.552 861 S N -0.862 114.842 115.700 0.007 0.000 2.593 861 S HA 0.371 4.841 4.470 -0.000 0.000 0.217 861 S C 1.699 176.339 174.600 0.066 0.000 0.966 861 S CA 0.891 59.106 58.200 0.024 0.000 0.914 861 S CB -0.007 63.203 63.200 0.016 0.000 0.776 861 S HN 1.471 nan 8.310 nan 0.000 0.523 862 G N 0.855 109.707 108.800 0.087 0.000 2.160 862 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.244 862 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.244 862 G C -0.356 174.646 174.900 0.171 0.000 1.022 862 G CA -0.004 45.211 45.100 0.192 0.000 0.741 862 G HN 0.623 nan 8.290 nan 0.000 0.508 863 Q N -0.785 119.058 119.800 0.072 0.000 2.274 863 Q HA 0.683 5.023 4.340 -0.000 0.000 0.260 863 Q C 0.059 176.071 176.000 0.020 0.000 0.974 863 Q CA -0.607 55.245 55.803 0.082 0.000 0.876 863 Q CB 1.996 30.783 28.738 0.081 0.000 1.297 863 Q HN 0.391 nan 8.270 nan 0.000 0.446 864 M N 2.017 121.666 119.600 0.081 0.000 2.114 864 M HA 0.566 5.046 4.480 -0.000 0.000 0.332 864 M C -1.514 174.886 176.300 0.167 0.000 1.014 864 M CA -0.513 54.826 55.300 0.064 0.000 0.956 864 M CB 1.105 33.739 32.600 0.056 0.000 1.551 864 M HN 0.756 nan 8.290 nan 0.000 0.427 865 A N 6.973 129.860 122.820 0.111 0.000 2.288 865 A HA 0.772 5.092 4.320 -0.000 0.000 0.320 865 A C -0.892 176.732 177.584 0.066 0.000 1.217 865 A CA -0.695 51.405 52.037 0.106 0.000 0.840 865 A CB 0.552 19.594 19.000 0.070 0.000 1.179 865 A HN 0.908 nan 8.150 nan 0.000 0.504 866 I N 1.456 122.049 120.570 0.037 0.000 2.474 866 I HA 0.462 4.632 4.170 -0.000 0.000 0.294 866 I C -0.178 175.835 176.117 -0.174 0.000 1.005 866 I CA -0.382 60.846 61.300 -0.119 0.000 1.113 866 I CB 2.379 40.325 38.000 -0.090 0.000 1.289 866 I HN 0.491 nan 8.210 nan 0.000 0.436 867 T N 5.032 119.429 114.554 -0.262 0.000 2.841 867 T HA 0.550 4.900 4.350 -0.000 0.000 0.285 867 T C -0.613 173.882 174.700 -0.341 0.000 0.991 867 T CA -0.383 61.564 62.100 -0.256 0.000 0.966 867 T CB 1.867 70.677 68.868 -0.096 0.000 0.962 867 T HN 0.251 nan 8.240 nan 0.000 0.438 868 V N 3.965 123.549 119.914 -0.550 0.000 2.540 868 V HA 0.593 4.713 4.120 -0.000 0.000 0.302 868 V C -0.784 175.140 176.094 -0.284 0.000 1.035 868 V CA -0.913 61.088 62.300 -0.497 0.000 0.873 868 V CB 2.114 33.383 31.823 -0.923 0.000 0.992 868 V HN 0.833 nan 8.190 nan 0.000 0.428 869 D N 3.062 123.464 120.400 0.004 0.000 2.686 869 D HA 0.513 5.153 4.640 -0.000 0.000 0.249 869 D C -1.124 175.306 176.300 0.216 0.000 1.260 869 D CA -0.120 53.984 54.000 0.173 0.000 0.910 869 D CB 2.789 43.721 40.800 0.221 0.000 1.323 869 D HN 0.275 nan 8.370 nan 0.000 0.561 870 V N 1.889 121.968 119.914 0.275 0.000 2.628 870 V HA 0.368 4.488 4.120 -0.000 0.000 0.306 870 V C 0.047 176.290 176.094 0.248 0.000 1.045 870 V CA -0.705 61.765 62.300 0.283 0.000 0.905 870 V CB 2.532 34.547 31.823 0.320 0.000 0.997 870 V HN 0.384 nan 8.190 nan 0.000 0.436 871 E N 1.927 122.261 120.200 0.222 0.000 2.187 871 E HA 0.678 5.028 4.350 -0.000 0.000 0.268 871 E C -1.591 175.134 176.600 0.209 0.000 0.896 871 E CA -0.488 56.023 56.400 0.185 0.000 0.766 871 E CB 2.385 32.179 29.700 0.157 0.000 1.142 871 E HN 0.471 nan 8.360 nan 0.000 0.408 872 V N 2.286 122.323 119.914 0.204 0.000 2.487 872 V HA 0.454 4.574 4.120 -0.000 0.000 0.298 872 V C -0.063 176.132 176.094 0.167 0.000 1.028 872 V CA -1.010 61.434 62.300 0.241 0.000 0.860 872 V CB 1.604 33.592 31.823 0.274 0.000 0.991 872 V HN 0.845 nan 8.190 nan 0.000 0.427 873 A N 3.220 126.109 122.820 0.114 0.000 2.548 873 A HA 0.294 4.614 4.320 -0.000 0.000 0.247 873 A C 1.676 179.338 177.584 0.129 0.000 1.067 873 A CA 0.639 52.726 52.037 0.083 0.000 0.757 873 A CB 0.248 19.264 19.000 0.026 0.000 0.996 873 A HN 1.398 nan 8.150 nan 0.000 0.504 874 S N 1.627 117.396 115.700 0.114 0.000 2.400 874 S HA -0.189 4.281 4.470 -0.000 0.000 0.232 874 S C 0.984 175.670 174.600 0.142 0.000 1.025 874 S CA 1.598 59.879 58.200 0.135 0.000 0.993 874 S CB -0.342 62.914 63.200 0.093 0.000 0.808 874 S HN 0.825 nan 8.310 nan 0.000 0.478 875 D N 0.278 120.739 120.400 0.101 0.000 2.325 875 D HA 0.153 4.793 4.640 -0.000 0.000 0.225 875 D C 0.506 176.856 176.300 0.084 0.000 1.096 875 D CA 0.017 54.063 54.000 0.078 0.000 0.844 875 D CB -0.329 40.501 40.800 0.049 0.000 0.925 875 D HN 0.332 nan 8.370 nan 0.000 0.513 876 T N 0.752 115.386 114.554 0.133 0.000 2.943 876 T HA 0.450 4.800 4.350 -0.000 0.000 0.284 876 T C -2.674 172.160 174.700 0.223 0.000 1.015 876 T CA -2.026 60.179 62.100 0.176 0.000 1.042 876 T CB 1.395 70.382 68.868 0.198 0.000 1.055 876 T HN -0.192 nan 8.240 nan 0.000 0.500 877 P HA 0.193 nan 4.420 nan 0.000 0.271 877 P C -0.640 176.971 177.300 0.518 0.000 1.216 877 P CA -0.235 62.974 63.100 0.183 0.000 0.776 877 P CB 0.149 31.937 31.700 0.146 0.000 0.881 878 H N 2.936 122.350 119.070 0.574 0.000 2.964 878 H HA 0.092 4.648 4.556 -0.000 0.000 0.328 878 H C -1.871 173.804 175.328 0.578 0.000 1.030 878 H CA -1.734 54.600 56.048 0.478 0.000 1.445 878 H CB -0.952 29.026 29.762 0.361 0.000 1.449 878 H HN 0.311 nan 8.280 nan 0.000 0.581 879 P HA 0.089 nan 4.420 nan 0.000 0.274 879 P C 0.386 177.608 177.300 -0.130 0.000 1.231 879 P CA -0.336 62.835 63.100 0.118 0.000 0.790 879 P CB 0.839 32.472 31.700 -0.112 0.000 0.951 880 A N 3.085 125.595 122.820 -0.517 0.000 1.969 880 A HA -0.087 4.233 4.320 -0.000 0.000 0.218 880 A C 1.069 178.282 177.584 -0.618 0.000 1.169 880 A CA 1.469 53.151 52.037 -0.592 0.000 0.635 880 A CB -0.558 17.897 19.000 -0.908 0.000 0.810 880 A HN 0.765 nan 8.150 nan 0.000 0.445 881 R N -2.938 117.236 120.500 -0.543 0.000 2.741 881 R HA 0.704 5.044 4.340 -0.000 0.000 0.274 881 R C -1.888 174.174 176.300 -0.397 0.000 1.029 881 R CA -0.819 54.973 56.100 -0.513 0.000 0.880 881 R CB 0.585 30.516 30.300 -0.614 0.000 1.264 881 R HN 0.026 nan 8.270 nan 0.000 0.465 882 I N 1.058 121.428 120.570 -0.334 0.000 2.540 882 I HA 0.639 4.809 4.170 -0.000 0.000 0.280 882 I C -0.474 175.415 176.117 -0.380 0.000 1.083 882 I CA -0.427 60.684 61.300 -0.316 0.000 1.080 882 I CB 1.789 39.677 38.000 -0.186 0.000 1.205 882 I HN 1.008 nan 8.210 nan 0.000 0.459 883 G N 5.769 114.302 108.800 -0.445 0.000 2.578 883 G HA2 0.732 4.692 3.960 -0.000 0.000 0.302 883 G HA3 0.732 4.692 3.960 -0.000 0.000 0.302 883 G C -1.763 172.964 174.900 -0.288 0.000 1.243 883 G CA -0.535 44.355 45.100 -0.351 0.000 0.843 883 G HN 0.294 nan 8.290 nan 0.000 0.486 884 L N 0.549 121.651 121.223 -0.201 0.000 2.303 884 L HA 0.707 5.047 4.340 -0.000 0.000 0.256 884 L C -0.705 176.063 176.870 -0.171 0.000 1.034 884 L CA -1.123 53.617 54.840 -0.166 0.000 0.832 884 L CB 2.603 44.631 42.059 -0.052 0.000 1.403 884 L HN 0.868 nan 8.230 nan 0.000 0.419 885 N N 0.096 118.724 118.700 -0.120 0.000 2.823 885 N HA 0.670 5.410 4.740 -0.000 0.000 0.251 885 N C -1.342 174.181 175.510 0.022 0.000 1.392 885 N CA -0.535 52.480 53.050 -0.058 0.000 0.864 885 N CB 2.157 40.621 38.487 -0.037 0.000 1.481 885 N HN 0.898 nan 8.380 nan 0.000 0.508 886 C N -1.639 117.716 119.300 0.092 0.000 3.253 886 C HA 0.578 5.038 4.460 -0.000 0.000 0.342 886 C C -1.379 173.537 174.990 -0.123 0.000 1.306 886 C CA -0.833 58.213 59.018 0.047 0.000 1.207 886 C CB 0.939 28.686 27.740 0.013 0.000 1.479 886 C HN 0.882 nan 8.230 nan 0.000 0.469 887 Q N 1.310 120.821 119.800 -0.482 0.000 2.347 887 Q HA 0.684 5.024 4.340 -0.000 0.000 0.262 887 Q C -1.044 174.678 176.000 -0.463 0.000 0.980 887 Q CA -0.442 54.805 55.803 -0.927 0.000 0.867 887 Q CB 0.899 28.710 28.738 -1.545 0.000 1.242 887 Q HN 0.747 nan 8.270 nan 0.000 0.453 888 L N 2.609 123.639 121.223 -0.322 0.000 2.375 888 L HA 0.355 4.695 4.340 -0.000 0.000 0.271 888 L C 1.184 177.961 176.870 -0.155 0.000 1.107 888 L CA -0.342 54.413 54.840 -0.142 0.000 0.806 888 L CB 0.972 43.043 42.059 0.020 0.000 1.146 888 L HN 0.807 nan 8.230 nan 0.000 0.447 889 A N 2.116 124.869 122.820 -0.111 0.000 1.930 889 A HA -0.140 4.180 4.320 -0.000 0.000 0.217 889 A C 1.164 178.713 177.584 -0.059 0.000 1.175 889 A CA 0.876 52.849 52.037 -0.107 0.000 0.627 889 A CB -0.318 18.619 19.000 -0.106 0.000 0.815 889 A HN 0.818 nan 8.150 nan 0.000 0.443 890 Q N -0.526 119.270 119.800 -0.008 0.000 2.368 890 Q HA 0.463 4.803 4.340 -0.000 0.000 0.237 890 Q C -1.141 174.877 176.000 0.030 0.000 0.987 890 Q CA 0.100 55.901 55.803 -0.004 0.000 0.896 890 Q CB 0.963 29.709 28.738 0.013 0.000 1.241 890 Q HN 0.152 nan 8.270 nan 0.000 0.485 891 V N 2.315 122.213 119.914 -0.027 0.000 2.612 891 V HA 0.789 4.909 4.120 -0.000 0.000 0.301 891 V C -0.832 175.211 176.094 -0.085 0.000 1.059 891 V CA -0.143 62.172 62.300 0.026 0.000 0.886 891 V CB 1.150 32.986 31.823 0.021 0.000 1.007 891 V HN 0.951 nan 8.190 nan 0.000 0.426 892 A N 3.237 125.971 122.820 -0.144 0.000 2.389 892 A HA 0.886 5.206 4.320 -0.000 0.000 0.293 892 A C 0.527 178.144 177.584 0.055 0.000 1.186 892 A CA -0.337 51.589 52.037 -0.185 0.000 0.828 892 A CB 1.643 20.328 19.000 -0.524 0.000 1.369 892 A HN 0.735 nan 8.150 nan 0.000 0.446 893 E N -0.236 119.987 120.200 0.038 0.000 2.060 893 E HA 0.071 4.421 4.350 -0.000 0.000 0.189 893 E C 0.615 177.300 176.600 0.142 0.000 0.974 893 E CA 0.989 57.439 56.400 0.083 0.000 0.808 893 E CB 0.142 29.869 29.700 0.045 0.000 0.768 893 E HN 0.538 nan 8.360 nan 0.000 0.453 894 R N -0.533 120.060 120.500 0.154 0.000 2.856 894 R HA 0.610 4.950 4.340 -0.000 0.000 0.258 894 R C -1.041 175.446 176.300 0.312 0.000 1.066 894 R CA -0.900 55.319 56.100 0.198 0.000 1.045 894 R CB 2.069 32.454 30.300 0.142 0.000 1.178 894 R HN -0.142 nan 8.270 nan 0.000 0.499 895 V N 1.443 121.547 119.914 0.317 0.000 2.623 895 V HA 0.324 4.444 4.120 -0.000 0.000 0.304 895 V C -0.712 175.653 176.094 0.452 0.000 1.054 895 V CA -0.968 61.562 62.300 0.382 0.000 0.882 895 V CB 1.920 33.927 31.823 0.307 0.000 1.002 895 V HN 0.741 nan 8.190 nan 0.000 0.424 896 N N 3.967 122.924 118.700 0.428 0.000 2.295 896 N HA 0.571 5.311 4.740 -0.000 0.000 0.293 896 N C -1.453 174.335 175.510 0.463 0.000 1.040 896 N CA -0.396 52.879 53.050 0.374 0.000 0.840 896 N CB 3.026 41.622 38.487 0.182 0.000 1.468 896 N HN 0.832 nan 8.380 nan 0.000 0.478 897 W N 3.008 124.371 121.300 0.104 0.000 3.074 897 W HA 0.611 5.271 4.660 -0.000 0.000 0.332 897 W C -2.166 174.362 176.519 0.016 0.000 1.253 897 W CA -1.066 56.326 57.345 0.079 0.000 1.180 897 W CB 0.726 30.266 29.460 0.134 0.000 1.445 897 W HN 0.247 nan 8.180 nan 0.000 0.573 898 L N 3.769 125.017 121.223 0.043 0.000 2.324 898 L HA 0.910 5.250 4.340 -0.000 0.000 0.274 898 L C -0.050 176.796 176.870 -0.040 0.000 1.012 898 L CA 0.376 55.076 54.840 -0.233 0.000 0.859 898 L CB 0.773 42.742 42.059 -0.149 0.000 1.224 898 L HN 1.026 nan 8.230 nan 0.000 0.429 899 G N 3.663 112.358 108.800 -0.175 0.000 2.393 899 G HA2 0.220 4.180 3.960 -0.000 0.000 0.264 899 G HA3 0.220 4.180 3.960 -0.000 0.000 0.264 899 G C -1.633 173.431 174.900 0.274 0.000 1.221 899 G CA -0.995 44.219 45.100 0.190 0.000 0.912 899 G HN 0.376 nan 8.290 nan 0.000 0.483 900 L N 1.265 122.721 121.223 0.389 0.000 2.331 900 L HA 0.624 4.964 4.340 -0.000 0.000 0.278 900 L C 0.965 177.888 176.870 0.089 0.000 1.106 900 L CA 0.451 55.434 54.840 0.238 0.000 0.824 900 L CB 0.669 42.797 42.059 0.114 0.000 1.142 900 L HN 1.038 nan 8.230 nan 0.000 0.443 901 G N 3.156 111.732 108.800 -0.374 0.000 2.554 901 G HA2 0.400 4.360 3.960 -0.000 0.000 0.306 901 G HA3 0.400 4.360 3.960 -0.000 0.000 0.306 901 G C -2.768 171.276 174.900 -1.426 0.000 1.320 901 G CA -0.304 44.156 45.100 -1.065 0.000 0.800 901 G HN 0.321 nan 8.290 nan 0.000 0.481 902 P HA 0.148 nan 4.420 nan 0.000 0.259 902 P C 0.402 177.485 177.300 -0.362 0.000 1.233 902 P CA 0.310 62.790 63.100 -1.033 0.000 0.827 902 P CB 0.783 32.045 31.700 -0.731 0.000 1.154 903 Q N 0.622 120.221 119.800 -0.335 0.000 2.318 903 Q HA 0.142 4.482 4.340 -0.000 0.000 0.222 903 Q C 0.381 176.258 176.000 -0.206 0.000 1.003 903 Q CA -0.552 55.129 55.803 -0.204 0.000 0.936 903 Q CB 0.695 29.343 28.738 -0.151 0.000 1.204 903 Q HN 0.108 nan 8.270 nan 0.000 0.524 904 E N 1.321 121.414 120.200 -0.178 0.000 2.608 904 E HA -0.128 4.222 4.350 -0.000 0.000 0.259 904 E C -1.179 175.339 176.600 -0.135 0.000 0.951 904 E CA 0.294 56.583 56.400 -0.185 0.000 0.945 904 E CB 0.210 29.872 29.700 -0.063 0.000 0.916 904 E HN 0.568 nan 8.360 nan 0.000 0.477 905 N N 2.805 121.346 118.700 -0.266 0.000 2.308 905 N HA 0.318 5.058 4.740 -0.000 0.000 0.283 905 N C -1.881 173.389 175.510 -0.400 0.000 1.105 905 N CA -0.685 52.258 53.050 -0.178 0.000 0.840 905 N CB 0.722 39.119 38.487 -0.150 0.000 1.633 905 N HN 0.237 nan 8.380 nan 0.000 0.476 906 Y N 0.076 120.284 120.300 -0.153 0.000 2.598 906 Y HA 0.513 5.063 4.550 -0.000 0.000 0.340 906 Y C -1.609 174.221 175.900 -0.116 0.000 1.038 906 Y CA -2.076 55.924 58.100 -0.168 0.000 1.100 906 Y CB 1.723 40.078 38.460 -0.174 0.000 1.281 906 Y HN 0.435 nan 8.280 nan 0.000 0.488 907 P HA -0.188 nan 4.420 nan 0.000 0.216 907 P C 0.413 177.664 177.300 -0.082 0.000 1.154 907 P CA 2.153 65.297 63.100 0.072 0.000 0.865 907 P CB 0.189 32.012 31.700 0.206 0.000 0.789 908 D N -2.151 118.015 120.400 -0.390 0.000 2.358 908 D HA 0.015 4.655 4.640 -0.000 0.000 0.224 908 D C 0.569 176.735 176.300 -0.223 0.000 1.123 908 D CA -0.015 53.550 54.000 -0.724 0.000 0.833 908 D CB -0.228 39.774 40.800 -1.331 0.000 0.946 908 D HN 0.128 nan 8.370 nan 0.000 0.505 909 R N 1.009 121.474 120.500 -0.059 0.000 2.837 909 R HA 0.208 4.548 4.340 -0.000 0.000 0.245 909 R C -0.806 175.527 176.300 0.056 0.000 1.712 909 R CA -0.209 55.909 56.100 0.030 0.000 1.539 909 R CB 0.077 30.396 30.300 0.032 0.000 1.490 909 R HN 0.111 nan 8.270 nan 0.000 0.667 910 L N -1.057 120.209 121.223 0.070 0.000 3.635 910 L HA 0.303 4.643 4.340 -0.000 0.000 0.338 910 L C 1.175 178.106 176.870 0.101 0.000 1.275 910 L CA 0.060 54.938 54.840 0.063 0.000 1.092 910 L CB 0.184 42.263 42.059 0.034 0.000 1.465 910 L HN 0.140 nan 8.230 nan 0.000 0.625 911 T N -2.580 112.062 114.554 0.146 0.000 2.915 911 T HA 0.059 4.409 4.350 -0.000 0.000 0.269 911 T C 1.698 176.492 174.700 0.157 0.000 1.071 911 T CA 1.275 63.489 62.100 0.191 0.000 1.132 911 T CB -0.193 68.826 68.868 0.252 0.000 0.878 911 T HN 0.403 nan 8.240 nan 0.000 0.479 912 A N 1.282 124.197 122.820 0.159 0.000 2.119 912 A HA 0.681 5.001 4.320 -0.000 0.000 0.216 912 A C 1.659 179.339 177.584 0.160 0.000 1.152 912 A CA 0.496 52.588 52.037 0.091 0.000 0.708 912 A CB -0.879 18.289 19.000 0.280 0.000 0.805 912 A HN 0.820 nan 8.150 nan 0.000 0.460 916 D N 3.073 122.864 120.400 -1.016 0.000 3.145 916 D HA 0.310 4.950 4.640 -0.000 0.000 0.345 916 D C -1.539 173.835 176.300 -1.543 0.000 1.391 916 D CA -0.753 52.466 54.000 -1.302 0.000 0.930 916 D CB 2.274 42.255 40.800 -1.365 0.000 1.451 916 D HN 0.622 nan 8.370 nan 0.000 0.555 917 R N 0.564 120.199 120.500 -1.442 0.000 2.255 917 R HA 0.466 4.806 4.340 -0.000 0.000 0.326 917 R C -1.372 174.096 176.300 -1.385 0.000 0.986 917 R CA -0.433 54.974 56.100 -1.155 0.000 0.847 917 R CB 0.576 30.479 30.300 -0.662 0.000 1.111 917 R HN 0.233 nan 8.270 nan 0.000 0.452 918 W N 2.623 123.359 121.300 -0.939 0.000 2.689 918 W HA 0.425 5.085 4.660 -0.000 0.000 0.340 918 W C -0.515 175.619 176.519 -0.642 0.000 1.060 918 W CA -0.665 56.086 57.345 -0.990 0.000 1.218 918 W CB 1.545 29.928 29.460 -1.796 0.000 1.410 918 W HN 0.313 nan 8.180 nan 0.000 0.528 919 D N 2.615 122.964 120.400 -0.086 0.000 2.736 919 D HA 0.521 5.161 4.640 -0.000 0.000 0.243 919 D C -1.285 175.111 176.300 0.160 0.000 1.304 919 D CA -0.129 53.919 54.000 0.080 0.000 0.934 919 D CB 1.215 42.027 40.800 0.021 0.000 1.382 919 D HN 0.401 nan 8.370 nan 0.000 0.571 920 L N 2.531 123.918 121.223 0.272 0.000 2.397 920 L HA 0.570 4.910 4.340 -0.000 0.000 0.251 920 L C -2.521 174.473 176.870 0.206 0.000 1.064 920 L CA -2.175 52.801 54.840 0.227 0.000 0.859 920 L CB 2.682 44.907 42.059 0.277 0.000 1.468 920 L HN 0.148 nan 8.230 nan 0.000 0.411 921 P HA 0.143 nan 4.420 nan 0.000 0.284 921 P C 0.491 177.875 177.300 0.140 0.000 1.253 921 P CA -0.476 62.705 63.100 0.135 0.000 0.800 921 P CB 1.206 32.965 31.700 0.098 0.000 0.961 922 L N 3.686 124.997 121.223 0.148 0.000 2.064 922 L HA -0.310 4.030 4.340 -0.000 0.000 0.216 922 L C 2.223 179.152 176.870 0.098 0.000 1.077 922 L CA 2.826 57.742 54.840 0.126 0.000 0.766 922 L CB -1.517 40.630 42.059 0.146 0.000 0.890 922 L HN 0.456 nan 8.230 nan 0.000 0.435 923 S N -1.528 114.231 115.700 0.097 0.000 2.374 923 S HA -0.224 4.246 4.470 -0.000 0.000 0.227 923 S C 1.652 176.329 174.600 0.127 0.000 1.037 923 S CA 1.347 59.612 58.200 0.110 0.000 1.024 923 S CB -0.925 62.329 63.200 0.090 0.000 0.861 923 S HN 0.542 nan 8.310 nan 0.000 0.456 924 D N 1.261 121.717 120.400 0.093 0.000 2.350 924 D HA 0.061 4.701 4.640 -0.000 0.000 0.216 924 D C 1.245 177.567 176.300 0.037 0.000 0.968 924 D CA 0.632 54.670 54.000 0.063 0.000 0.894 924 D CB -0.230 40.610 40.800 0.066 0.000 0.909 924 D HN 0.389 nan 8.370 nan 0.000 0.520 925 M N -0.375 119.258 119.600 0.055 0.000 2.568 925 M HA 0.065 4.545 4.480 -0.000 0.000 0.226 925 M C -0.115 176.215 176.300 0.049 0.000 1.148 925 M CA 0.027 55.321 55.300 -0.010 0.000 1.007 925 M CB -0.984 31.602 32.600 -0.024 0.000 1.651 925 M HN -0.023 nan 8.290 nan 0.000 0.488 926 Y N -0.444 119.822 120.300 -0.056 0.000 2.425 926 Y HA 0.476 5.026 4.550 -0.000 0.000 0.344 926 Y C -0.855 174.985 175.900 -0.100 0.000 0.969 926 Y CA -0.849 57.224 58.100 -0.044 0.000 1.052 926 Y CB 1.444 39.932 38.460 0.047 0.000 1.215 926 Y HN -0.111 nan 8.280 nan 0.000 0.451 927 T N 8.751 122.799 114.554 -0.842 0.000 2.801 927 T HA 0.273 4.623 4.350 -0.000 0.000 0.306 927 T C -2.651 171.224 174.700 -1.374 0.000 1.020 927 T CA -1.512 59.995 62.100 -0.989 0.000 0.948 927 T CB 0.986 69.367 68.868 -0.812 0.000 0.962 927 T HN 0.447 nan 8.240 nan 0.000 0.465 928 P HA 0.083 nan 4.420 nan 0.000 0.238 928 P C -0.584 176.554 177.300 -0.270 0.000 1.714 928 P CA -0.382 62.298 63.100 -0.701 0.000 0.908 928 P CB -0.837 30.601 31.700 -0.436 0.000 1.893 929 Y N -0.400 119.804 120.300 -0.159 0.000 2.717 929 Y HA -0.098 4.452 4.550 -0.000 0.000 0.330 929 Y C 2.278 178.218 175.900 0.067 0.000 1.217 929 Y CA -0.402 57.682 58.100 -0.027 0.000 1.506 929 Y CB 0.459 38.858 38.460 -0.101 0.000 1.268 929 Y HN -0.113 nan 8.280 nan 0.000 0.561 930 V N 4.043 124.163 119.914 0.344 0.000 2.278 930 V HA -0.330 3.790 4.120 -0.000 0.000 0.251 930 V C 0.629 176.887 176.094 0.274 0.000 1.062 930 V CA 1.609 64.093 62.300 0.306 0.000 1.038 930 V CB -0.534 31.505 31.823 0.359 0.000 0.646 930 V HN 0.608 nan 8.190 nan 0.000 0.447 931 F N 3.480 123.482 119.950 0.087 0.000 2.391 931 F HA 0.496 5.023 4.527 -0.000 0.000 0.359 931 F C -2.326 173.492 175.800 0.029 0.000 1.122 931 F CA -3.152 54.853 58.000 0.007 0.000 1.120 931 F CB 0.944 39.854 39.000 -0.151 0.000 1.142 931 F HN 0.001 nan 8.300 nan 0.000 0.483 932 P HA 0.349 nan 4.420 nan 0.000 0.278 932 P C -1.224 175.855 177.300 -0.368 0.000 1.238 932 P CA -0.191 62.717 63.100 -0.321 0.000 0.794 932 P CB 1.694 33.225 31.700 -0.281 0.000 0.955 933 S N -0.232 115.416 115.700 -0.085 0.000 2.683 933 S HA 0.378 4.848 4.470 -0.000 0.000 0.269 933 S C -0.837 173.780 174.600 0.028 0.000 1.165 933 S CA -0.913 57.276 58.200 -0.018 0.000 0.840 933 S CB 0.227 63.457 63.200 0.050 0.000 1.169 933 S HN 0.357 nan 8.310 nan 0.000 0.490 934 E N 1.304 121.524 120.200 0.034 0.000 2.652 934 E HA 0.322 4.672 4.350 -0.000 0.000 0.255 934 E C -0.086 176.572 176.600 0.096 0.000 0.952 934 E CA 1.095 57.533 56.400 0.064 0.000 0.947 934 E CB -0.495 29.260 29.700 0.093 0.000 0.912 934 E HN 0.788 nan 8.360 nan 0.000 0.489 935 N N 1.589 120.378 118.700 0.148 0.000 3.106 935 N HA 0.523 5.263 4.740 -0.000 0.000 0.253 935 N C 0.385 175.960 175.510 0.108 0.000 1.506 935 N CA -0.659 52.520 53.050 0.215 0.000 0.876 935 N CB 0.592 39.207 38.487 0.213 0.000 1.452 935 N HN 0.647 nan 8.380 nan 0.000 0.542 936 G N -1.366 107.458 108.800 0.040 0.000 2.189 936 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.267 936 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.267 936 G C -0.107 174.559 174.900 -0.389 0.000 0.975 936 G CA 0.558 45.568 45.100 -0.150 0.000 0.644 936 G HN 0.693 nan 8.290 nan 0.000 0.537 937 L N 1.208 122.138 121.223 -0.489 0.000 2.529 937 L HA 0.435 4.775 4.340 -0.000 0.000 0.287 937 L C 0.832 177.138 176.870 -0.940 0.000 1.241 937 L CA 0.529 54.836 54.840 -0.888 0.000 0.857 937 L CB 0.365 41.587 42.059 -1.396 0.000 1.113 937 L HN 0.352 nan 8.230 nan 0.000 0.504 938 R N 3.880 123.734 120.500 -1.076 0.000 2.575 938 R HA 0.488 4.828 4.340 -0.000 0.000 0.293 938 R C -1.155 174.766 176.300 -0.631 0.000 0.983 938 R CA -0.685 54.898 56.100 -0.862 0.000 0.887 938 R CB 0.776 30.538 30.300 -0.896 0.000 1.184 938 R HN 0.569 nan 8.270 nan 0.000 0.445 939 C N -0.226 118.856 119.300 -0.365 0.000 2.354 939 C HA 0.687 5.147 4.460 -0.000 0.000 0.381 939 C C 1.314 176.272 174.990 -0.054 0.000 1.240 939 C CA 0.225 59.118 59.018 -0.208 0.000 2.089 939 C CB 1.100 28.745 27.740 -0.158 0.000 2.234 939 C HN 1.065 nan 8.230 nan 0.000 0.544 940 G N 2.013 110.793 108.800 -0.033 0.000 2.366 940 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.299 940 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.299 940 G C -0.133 174.822 174.900 0.091 0.000 1.020 940 G CA 0.484 45.612 45.100 0.047 0.000 1.026 940 G HN 0.812 nan 8.290 nan 0.000 0.512 941 T N -0.295 114.180 114.554 -0.131 0.000 2.829 941 T HA 0.543 4.893 4.350 -0.000 0.000 0.282 941 T C 1.431 175.807 174.700 -0.539 0.000 0.990 941 T CA -0.604 61.363 62.100 -0.222 0.000 1.028 941 T CB 1.543 70.251 68.868 -0.267 0.000 0.951 941 T HN 0.343 nan 8.240 nan 0.000 0.460 942 R N 1.158 121.567 120.500 -0.151 0.000 2.279 942 R HA 0.267 4.607 4.340 -0.000 0.000 0.195 942 R C 0.439 176.798 176.300 0.099 0.000 0.905 942 R CA 0.145 56.228 56.100 -0.029 0.000 1.044 942 R CB 0.908 31.312 30.300 0.173 0.000 1.056 942 R HN 0.613 nan 8.270 nan 0.000 0.535 943 E N 1.016 121.291 120.200 0.125 0.000 2.321 943 E HA 0.283 4.633 4.350 -0.000 0.000 0.281 943 E C -2.022 174.746 176.600 0.281 0.000 0.910 943 E CA -0.592 55.958 56.400 0.249 0.000 0.770 943 E CB 1.797 31.607 29.700 0.184 0.000 1.225 943 E HN -0.103 nan 8.360 nan 0.000 0.417 944 L N 4.066 125.509 121.223 0.367 0.000 2.410 944 L HA 0.608 4.948 4.340 -0.000 0.000 0.270 944 L C -1.924 175.180 176.870 0.391 0.000 0.983 944 L CA -0.414 54.593 54.840 0.279 0.000 0.822 944 L CB 1.876 43.941 42.059 0.011 0.000 1.285 944 L HN 0.433 nan 8.230 nan 0.000 0.409 945 N N 4.264 123.159 118.700 0.324 0.000 2.399 945 N HA 0.424 5.164 4.740 -0.000 0.000 0.284 945 N C -2.036 173.725 175.510 0.419 0.000 1.025 945 N CA -0.206 53.039 53.050 0.325 0.000 0.885 945 N CB 2.023 40.639 38.487 0.214 0.000 1.339 945 N HN 0.619 nan 8.380 nan 0.000 0.487 946 Y N 1.388 121.859 120.300 0.284 0.000 2.323 946 Y HA 0.438 4.988 4.550 -0.000 0.000 0.322 946 Y C 0.562 176.601 175.900 0.233 0.000 1.133 946 Y CA 0.178 58.429 58.100 0.253 0.000 1.093 946 Y CB 0.599 39.239 38.460 0.300 0.000 1.203 946 Y HN 0.825 nan 8.280 nan 0.000 0.427 947 G N 6.337 115.048 108.800 -0.148 0.000 2.527 947 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.268 947 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.268 947 G C -1.885 172.954 174.900 -0.101 0.000 1.175 947 G CA -0.032 44.959 45.100 -0.181 0.000 0.962 947 G HN 0.547 nan 8.290 nan 0.000 0.560 948 P HA 0.144 nan 4.420 nan 0.000 0.241 948 P C 0.458 177.513 177.300 -0.408 0.000 1.191 948 P CA 0.968 63.889 63.100 -0.299 0.000 0.771 948 P CB -0.058 31.388 31.700 -0.424 0.000 0.929 949 H N -0.274 118.748 119.070 -0.080 0.000 2.505 949 H HA 0.527 5.083 4.556 -0.000 0.000 0.351 949 H C 0.315 175.422 175.328 -0.368 0.000 1.151 949 H CA -0.124 55.761 56.048 -0.272 0.000 1.339 949 H CB 0.828 30.242 29.762 -0.581 0.000 1.483 949 H HN -0.067 nan 8.280 nan 0.000 0.558 950 Q N 2.161 121.708 119.800 -0.422 0.000 2.284 950 Q HA 0.258 4.598 4.340 -0.000 0.000 0.269 950 Q C -1.954 173.804 176.000 -0.403 0.000 1.026 950 Q CA -0.753 54.901 55.803 -0.249 0.000 0.831 950 Q CB 1.755 30.484 28.738 -0.015 0.000 1.322 950 Q HN 0.625 nan 8.270 nan 0.000 0.419 951 W N 3.667 124.973 121.300 0.008 0.000 2.819 951 W HA 0.622 5.282 4.660 -0.000 0.000 0.337 951 W C -0.559 176.058 176.519 0.164 0.000 1.077 951 W CA -0.800 56.518 57.345 -0.046 0.000 1.226 951 W CB 2.203 31.449 29.460 -0.357 0.000 1.419 951 W HN 0.651 nan 8.180 nan 0.000 0.502 952 R N 0.972 121.730 120.500 0.430 0.000 2.725 952 R HA 0.877 5.217 4.340 -0.000 0.000 0.277 952 R C 0.079 176.664 176.300 0.475 0.000 0.987 952 R CA -0.685 55.683 56.100 0.446 0.000 0.901 952 R CB 2.298 32.770 30.300 0.287 0.000 1.207 952 R HN 0.690 nan 8.270 nan 0.000 0.463 953 G N 0.628 109.743 108.800 0.524 0.000 2.534 953 G HA2 0.041 4.001 3.960 -0.000 0.000 0.142 953 G HA3 0.041 4.001 3.960 -0.000 0.000 0.142 953 G C -1.703 173.380 174.900 0.304 0.000 1.178 953 G CA -0.398 44.964 45.100 0.436 0.000 1.037 953 G HN 0.512 nan 8.290 nan 0.000 0.474 954 D N 0.485 121.086 120.400 0.335 0.000 2.330 954 D HA 0.586 5.226 4.640 -0.000 0.000 0.249 954 D C -0.893 175.452 176.300 0.075 0.000 1.306 954 D CA -0.263 53.782 54.000 0.075 0.000 0.956 954 D CB 0.680 41.529 40.800 0.082 0.000 1.261 954 D HN 0.440 nan 8.370 nan 0.000 0.544 955 F N 0.018 119.966 119.950 -0.003 0.000 2.950 955 F HA 0.619 5.146 4.527 -0.000 0.000 0.327 955 F C -1.086 174.682 175.800 -0.055 0.000 1.197 955 F CA -1.012 56.926 58.000 -0.103 0.000 0.954 955 F CB 0.707 39.632 39.000 -0.124 0.000 1.442 955 F HN -0.155 nan 8.300 nan 0.000 0.509 956 Q N 1.352 121.237 119.800 0.141 0.000 2.413 956 Q HA 0.678 5.018 4.340 -0.000 0.000 0.276 956 Q C -1.409 174.679 176.000 0.146 0.000 1.099 956 Q CA -0.543 55.258 55.803 -0.005 0.000 0.814 956 Q CB 2.916 31.523 28.738 -0.219 0.000 1.379 956 Q HN 0.923 nan 8.270 nan 0.000 0.436 957 F N -1.146 118.683 119.950 -0.200 0.000 2.779 957 F HA 0.781 5.308 4.527 -0.000 0.000 0.316 957 F C -1.804 173.788 175.800 -0.348 0.000 1.164 957 F CA -1.007 56.842 58.000 -0.252 0.000 0.924 957 F CB 1.519 40.390 39.000 -0.215 0.000 1.348 957 F HN 0.629 nan 8.300 nan 0.000 0.467 958 N N 1.064 119.634 118.700 -0.216 0.000 2.494 958 N HA 0.723 5.463 4.740 -0.000 0.000 0.270 958 N C -2.164 173.330 175.510 -0.026 0.000 1.285 958 N CA -0.704 52.184 53.050 -0.271 0.000 0.812 958 N CB 2.496 40.814 38.487 -0.282 0.000 1.557 958 N HN 1.156 nan 8.380 nan 0.000 0.487 959 I N 0.248 120.784 120.570 -0.057 0.000 2.685 959 I HA 0.628 4.798 4.170 -0.000 0.000 0.289 959 I C -1.380 174.695 176.117 -0.070 0.000 1.292 959 I CA 0.089 61.335 61.300 -0.090 0.000 1.050 959 I CB 1.340 39.228 38.000 -0.187 0.000 1.301 959 I HN 1.089 nan 8.210 nan 0.000 0.425 960 S N 6.422 122.097 115.700 -0.042 0.000 2.714 960 S HA 0.531 5.001 4.470 -0.000 0.000 0.280 960 S C -0.435 174.109 174.600 -0.094 0.000 1.200 960 S CA -0.949 57.224 58.200 -0.044 0.000 0.900 960 S CB 1.601 64.845 63.200 0.073 0.000 1.235 960 S HN 0.635 nan 8.310 nan 0.000 0.512 961 R N 0.032 120.304 120.500 -0.381 0.000 2.466 961 R HA 0.300 4.640 4.340 -0.000 0.000 0.279 961 R C -1.069 174.884 176.300 -0.579 0.000 0.976 961 R CA 0.166 55.970 56.100 -0.495 0.000 1.081 961 R CB -0.626 29.225 30.300 -0.748 0.000 1.215 961 R HN 0.626 nan 8.270 nan 0.000 0.546 962 Y N 0.162 120.465 120.300 0.005 0.000 2.391 962 Y HA 0.237 4.787 4.550 -0.000 0.000 0.341 962 Y C 0.737 176.403 175.900 -0.390 0.000 0.965 962 Y CA -1.178 56.833 58.100 -0.149 0.000 1.067 962 Y CB 1.499 39.814 38.460 -0.241 0.000 1.199 962 Y HN -0.083 nan 8.280 nan 0.000 0.450 963 S N 1.606 117.001 115.700 -0.510 0.000 2.593 963 S HA 0.066 4.536 4.470 -0.000 0.000 0.269 963 S C 0.850 175.147 174.600 -0.505 0.000 1.334 963 S CA -0.658 56.901 58.200 -1.069 0.000 1.015 963 S CB 1.146 63.762 63.200 -0.972 0.000 0.912 963 S HN 0.767 nan 8.310 nan 0.000 0.541 964 Q N 0.573 120.071 119.800 -0.503 0.000 2.124 964 Q HA -0.185 4.155 4.340 -0.000 0.000 0.202 964 Q C 2.176 178.057 176.000 -0.198 0.000 0.977 964 Q CA 1.641 57.288 55.803 -0.259 0.000 0.850 964 Q CB -0.439 28.182 28.738 -0.195 0.000 0.901 964 Q HN 0.924 nan 8.270 nan 0.000 0.429 965 Q N 0.716 120.375 119.800 -0.236 0.000 2.084 965 Q HA -0.208 4.132 4.340 -0.000 0.000 0.202 965 Q C 2.063 177.987 176.000 -0.127 0.000 0.978 965 Q CA 1.299 57.015 55.803 -0.146 0.000 0.844 965 Q CB 0.037 28.707 28.738 -0.113 0.000 0.898 965 Q HN 0.415 nan 8.270 nan 0.000 0.426 966 Q N 0.112 119.821 119.800 -0.151 0.000 2.030 966 Q HA -0.177 4.163 4.340 -0.000 0.000 0.204 966 Q C 2.359 178.273 176.000 -0.144 0.000 0.986 966 Q CA 1.488 57.219 55.803 -0.121 0.000 0.843 966 Q CB -0.133 28.529 28.738 -0.126 0.000 0.904 966 Q HN 0.459 nan 8.270 nan 0.000 0.420 967 L N 0.084 121.210 121.223 -0.162 0.000 2.042 967 L HA -0.239 4.101 4.340 -0.000 0.000 0.210 967 L C 2.708 179.471 176.870 -0.178 0.000 1.076 967 L CA 1.341 56.075 54.840 -0.178 0.000 0.749 967 L CB -0.412 41.567 42.059 -0.133 0.000 0.893 967 L HN 0.415 nan 8.230 nan 0.000 0.432 968 M N -0.462 119.059 119.600 -0.132 0.000 2.296 968 M HA -0.183 4.297 4.480 -0.000 0.000 0.265 968 M C 1.682 177.918 176.300 -0.108 0.000 1.064 968 M CA 1.680 56.914 55.300 -0.110 0.000 1.109 968 M CB 0.091 32.632 32.600 -0.098 0.000 1.396 968 M HN 0.199 nan 8.290 nan 0.000 0.430 969 E N -0.766 119.372 120.200 -0.102 0.000 2.447 969 E HA 0.053 4.403 4.350 -0.000 0.000 0.195 969 E C -0.219 176.339 176.600 -0.070 0.000 1.028 969 E CA 0.155 56.514 56.400 -0.069 0.000 0.876 969 E CB 0.469 30.142 29.700 -0.045 0.000 0.885 969 E HN 0.337 nan 8.360 nan 0.000 0.500 970 T N 0.555 115.037 114.554 -0.121 0.000 2.799 970 T HA 0.086 4.436 4.350 -0.000 0.000 0.286 970 T C 1.127 175.725 174.700 -0.171 0.000 0.973 970 T CA -0.359 61.668 62.100 -0.122 0.000 1.035 970 T CB 1.618 70.394 68.868 -0.154 0.000 0.932 970 T HN 0.039 nan 8.240 nan 0.000 0.469 971 S N 1.869 117.553 115.700 -0.027 0.000 2.501 971 S HA 0.072 4.542 4.470 -0.000 0.000 0.220 971 S C 0.274 174.906 174.600 0.054 0.000 0.997 971 S CA 0.250 58.479 58.200 0.048 0.000 0.919 971 S CB -0.197 63.199 63.200 0.327 0.000 0.778 971 S HN 0.744 nan 8.310 nan 0.000 0.523 972 H N 0.384 119.443 119.070 -0.019 0.000 2.806 972 H HA 0.512 5.068 4.556 -0.000 0.000 0.367 972 H C 0.939 176.265 175.328 -0.002 0.000 1.136 972 H CA -0.741 55.376 56.048 0.114 0.000 1.178 972 H CB 1.509 31.410 29.762 0.232 0.000 1.718 972 H HN 0.108 nan 8.280 nan 0.000 0.540 973 R N 1.410 122.049 120.500 0.231 0.000 2.117 973 R HA -0.219 4.121 4.340 -0.000 0.000 0.243 973 R C 1.403 177.741 176.300 0.064 0.000 1.143 973 R CA 2.128 58.293 56.100 0.109 0.000 0.968 973 R CB -0.629 29.749 30.300 0.131 0.000 0.863 973 R HN 0.785 nan 8.270 nan 0.000 0.444 974 H N 1.593 120.677 119.070 0.023 0.000 2.489 974 H HA -0.020 4.536 4.556 -0.000 0.000 0.293 974 H C 1.620 176.881 175.328 -0.111 0.000 1.066 974 H CA 1.154 57.167 56.048 -0.057 0.000 1.305 974 H CB -0.282 29.425 29.762 -0.093 0.000 1.386 974 H HN 0.342 nan 8.280 nan 0.000 0.551 975 L N 0.848 121.679 121.223 -0.654 0.000 2.599 975 L HA 0.192 4.532 4.340 -0.000 0.000 0.230 975 L C 0.524 177.303 176.870 -0.152 0.000 1.141 975 L CA -0.077 54.500 54.840 -0.437 0.000 0.877 975 L CB -0.115 41.686 42.059 -0.430 0.000 1.009 975 L HN 0.036 nan 8.230 nan 0.000 0.447 976 L N 0.340 121.468 121.223 -0.159 0.000 2.399 976 L HA 0.324 4.664 4.340 -0.000 0.000 0.266 976 L C 0.109 176.999 176.870 0.033 0.000 1.114 976 L CA -0.460 54.283 54.840 -0.162 0.000 0.804 976 L CB 0.688 42.458 42.059 -0.481 0.000 1.146 976 L HN 0.124 nan 8.230 nan 0.000 0.451 977 H N 0.587 119.741 119.070 0.141 0.000 2.806 977 H HA 0.640 5.196 4.556 -0.000 0.000 0.367 977 H C -0.849 174.583 175.328 0.173 0.000 1.136 977 H CA -1.226 54.909 56.048 0.145 0.000 1.178 977 H CB 1.301 31.087 29.762 0.039 0.000 1.718 977 H HN 0.714 nan 8.280 nan 0.000 0.540 978 A N 2.840 125.693 122.820 0.055 0.000 2.531 978 A HA 0.095 4.415 4.320 -0.000 0.000 0.236 978 A C 0.368 177.921 177.584 -0.052 0.000 1.062 978 A CA -0.070 51.822 52.037 -0.241 0.000 0.760 978 A CB -0.009 18.859 19.000 -0.219 0.000 0.995 978 A HN 0.815 nan 8.150 nan 0.000 0.501 979 E N 0.499 120.623 120.200 -0.127 0.000 2.292 979 E HA 0.131 4.481 4.350 -0.000 0.000 0.258 979 E C 0.709 177.298 176.600 -0.019 0.000 1.115 979 E CA -0.699 55.728 56.400 0.045 0.000 0.929 979 E CB 0.658 30.481 29.700 0.204 0.000 1.161 979 E HN 0.826 nan 8.360 nan 0.000 0.453 980 E N 0.277 120.470 120.200 -0.012 0.000 2.065 980 E HA -0.217 4.133 4.350 -0.000 0.000 0.201 980 E C 0.922 177.454 176.600 -0.114 0.000 1.016 980 E CA 1.766 58.128 56.400 -0.063 0.000 0.818 980 E CB 0.016 29.683 29.700 -0.054 0.000 0.749 980 E HN 0.571 nan 8.360 nan 0.000 0.453 981 G N -1.408 107.273 108.800 -0.198 0.000 3.387 981 G HA2 0.249 4.209 3.960 -0.000 0.000 0.194 981 G HA3 0.249 4.209 3.960 -0.000 0.000 0.194 981 G C -0.643 174.152 174.900 -0.174 0.000 1.417 981 G CA -0.073 44.921 45.100 -0.175 0.000 0.777 981 G HN 0.120 nan 8.290 nan 0.000 0.721 982 T N 0.411 114.851 114.554 -0.189 0.000 2.841 982 T HA 0.397 4.747 4.350 -0.000 0.000 0.285 982 T C -1.583 172.969 174.700 -0.246 0.000 0.991 982 T CA -0.120 61.900 62.100 -0.134 0.000 0.966 982 T CB 1.653 70.547 68.868 0.044 0.000 0.962 982 T HN 0.322 nan 8.240 nan 0.000 0.438 983 W N 3.002 124.215 121.300 -0.145 0.000 2.351 983 W HA 0.636 5.296 4.660 -0.000 0.000 0.311 983 W C -0.414 175.988 176.519 -0.194 0.000 1.168 983 W CA -0.740 56.518 57.345 -0.146 0.000 1.200 983 W CB 0.916 30.301 29.460 -0.126 0.000 1.221 983 W HN 0.338 nan 8.180 nan 0.000 0.519 984 L N 5.494 126.781 121.223 0.107 0.000 2.381 984 L HA 0.485 4.825 4.340 -0.000 0.000 0.274 984 L C -1.070 175.734 176.870 -0.110 0.000 0.988 984 L CA -0.532 54.238 54.840 -0.117 0.000 0.824 984 L CB 1.020 42.879 42.059 -0.333 0.000 1.263 984 L HN 0.329 nan 8.230 nan 0.000 0.410 985 N N 6.911 125.527 118.700 -0.139 0.000 2.443 985 N HA 0.497 5.237 4.740 -0.000 0.000 0.269 985 N C -1.214 174.181 175.510 -0.193 0.000 0.985 985 N CA -0.293 52.664 53.050 -0.154 0.000 0.921 985 N CB 2.309 40.725 38.487 -0.118 0.000 1.195 985 N HN 0.502 nan 8.380 nan 0.000 0.492 986 I N 1.688 122.099 120.570 -0.265 0.000 2.382 986 I HA 0.261 4.431 4.170 -0.000 0.000 0.285 986 I C -0.656 175.298 176.117 -0.271 0.000 1.007 986 I CA -0.615 60.500 61.300 -0.309 0.000 1.142 986 I CB 1.604 39.284 38.000 -0.533 0.000 1.289 986 I HN 0.140 nan 8.210 nan 0.000 0.453 987 D N 4.602 124.873 120.400 -0.215 0.000 2.217 987 D HA 0.307 4.947 4.640 -0.000 0.000 0.243 987 D C 1.020 177.052 176.300 -0.448 0.000 1.054 987 D CA -0.192 53.629 54.000 -0.299 0.000 0.838 987 D CB 2.553 43.270 40.800 -0.138 0.000 1.162 987 D HN 0.709 nan 8.370 nan 0.000 0.472 988 G N 1.246 109.505 108.800 -0.901 0.000 2.430 988 G HA2 0.036 3.996 3.960 -0.000 0.000 0.216 988 G HA3 0.036 3.996 3.960 -0.000 0.000 0.216 988 G C 0.063 174.103 174.900 -1.434 0.000 1.146 988 G CA 0.489 44.775 45.100 -1.357 0.000 0.793 988 G HN 0.385 nan 8.290 nan 0.000 0.537 989 F N -1.809 117.934 119.950 -0.346 0.000 2.654 989 F HA 0.544 5.071 4.527 -0.000 0.000 0.308 989 F C -0.695 175.008 175.800 -0.161 0.000 1.108 989 F CA -1.215 56.665 58.000 -0.200 0.000 0.957 989 F CB 1.978 40.800 39.000 -0.296 0.000 1.309 989 F HN -0.074 nan 8.300 nan 0.000 0.446 990 H N 2.540 121.628 119.070 0.029 0.000 2.954 990 H HA 0.388 4.944 4.556 -0.000 0.000 0.361 990 H C -1.127 174.226 175.328 0.041 0.000 1.122 990 H CA -0.745 55.289 56.048 -0.022 0.000 1.217 990 H CB 2.395 32.123 29.762 -0.056 0.000 1.776 990 H HN 0.864 nan 8.280 nan 0.000 0.533 991 M N 2.764 122.326 119.600 -0.062 0.000 2.250 991 M HA 0.250 4.730 4.480 -0.000 0.000 0.325 991 M C 0.555 176.976 176.300 0.201 0.000 1.084 991 M CA 0.478 55.804 55.300 0.044 0.000 1.161 991 M CB 0.354 32.876 32.600 -0.131 0.000 1.481 991 M HN 0.728 nan 8.290 nan 0.000 0.449 992 G N 2.899 111.791 108.800 0.154 0.000 2.684 992 G HA2 0.325 4.285 3.960 -0.000 0.000 0.255 992 G HA3 0.325 4.285 3.960 -0.000 0.000 0.255 992 G C 0.550 175.428 174.900 -0.036 0.000 1.219 992 G CA -0.286 44.832 45.100 0.029 0.000 0.901 992 G HN 0.993 nan 8.290 nan 0.000 0.548 993 I N -2.461 118.035 120.570 -0.122 0.000 3.939 993 I HA 0.442 4.612 4.170 -0.000 0.000 0.313 993 I C 1.137 177.183 176.117 -0.119 0.000 1.274 993 I CA 0.503 61.704 61.300 -0.165 0.000 1.301 993 I CB -0.363 37.450 38.000 -0.312 0.000 1.105 993 I HN 0.963 nan 8.210 nan 0.000 0.427 994 G N 1.670 110.416 108.800 -0.090 0.000 2.645 994 G HA2 0.038 3.998 3.960 -0.000 0.000 0.239 994 G HA3 0.038 3.998 3.960 -0.000 0.000 0.239 994 G C 0.570 175.457 174.900 -0.022 0.000 1.331 994 G CA 0.124 45.208 45.100 -0.026 0.000 0.890 994 G HN 1.411 nan 8.290 nan 0.000 0.572 995 G N -2.291 106.508 108.800 -0.001 0.000 2.559 995 G HA2 0.045 4.005 3.960 -0.000 0.000 0.202 995 G HA3 0.045 4.005 3.960 -0.000 0.000 0.202 995 G C 0.586 175.515 174.900 0.048 0.000 0.992 995 G CA 0.917 46.022 45.100 0.008 0.000 0.764 995 G HN 0.969 nan 8.290 nan 0.000 0.525 996 D N 1.225 121.667 120.400 0.070 0.000 2.228 996 D HA 0.131 4.771 4.640 -0.000 0.000 0.203 996 D C 0.947 177.240 176.300 -0.012 0.000 0.988 996 D CA 2.112 56.208 54.000 0.160 0.000 0.864 996 D CB 0.129 41.039 40.800 0.184 0.000 0.928 996 D HN 0.846 nan 8.370 nan 0.000 0.469 997 D N -3.802 116.378 120.400 -0.366 0.000 2.694 997 D HA 0.265 4.905 4.640 -0.000 0.000 0.260 997 D C -0.874 174.840 176.300 -0.977 0.000 1.250 997 D CA -0.733 52.584 54.000 -1.138 0.000 0.763 997 D CB 0.761 40.439 40.800 -1.869 0.000 1.311 997 D HN -0.293 nan 8.370 nan 0.000 0.420 998 S N -0.145 114.764 115.700 -1.320 0.000 2.588 998 S HA 0.256 4.726 4.470 -0.000 0.000 0.245 998 S C -0.624 174.039 174.600 0.106 0.000 1.021 998 S CA -0.715 57.341 58.200 -0.239 0.000 1.006 998 S CB -0.617 62.751 63.200 0.281 0.000 0.830 998 S HN 0.597 nan 8.310 nan 0.000 0.468 999 W N 1.117 122.349 121.300 -0.113 0.000 1.832 999 W HA 0.597 5.257 4.660 -0.000 0.000 0.297 999 W C -0.059 176.398 176.519 -0.102 0.000 0.891 999 W CA -0.704 56.569 57.345 -0.120 0.000 2.000 999 W CB -0.578 28.769 29.460 -0.189 0.000 1.081 999 W HN 0.175 nan 8.180 nan 0.000 0.499 1000 S N -1.291 114.309 115.700 -0.167 0.000 2.595 1000 S HA 0.582 5.052 4.470 -0.000 0.000 0.270 1000 S C -3.256 171.274 174.600 -0.117 0.000 1.145 1000 S CA -1.478 56.642 58.200 -0.134 0.000 0.825 1000 S CB 1.511 64.633 63.200 -0.129 0.000 1.107 1000 S HN -0.196 nan 8.310 nan 0.000 0.461 1001 P HA 0.271 nan 4.420 nan 0.000 0.270 1001 P C 0.260 177.590 177.300 0.050 0.000 1.242 1001 P CA -0.110 62.996 63.100 0.010 0.000 0.768 1001 P CB 0.702 32.302 31.700 -0.167 0.000 0.820 1002 S N 1.064 116.826 115.700 0.102 0.000 2.846 1002 S HA 0.169 4.639 4.470 -0.000 0.000 0.249 1002 S C 0.160 174.830 174.600 0.117 0.000 1.028 1002 S CA -0.350 57.886 58.200 0.061 0.000 1.043 1002 S CB -0.261 62.919 63.200 -0.034 0.000 0.990 1002 S HN 0.099 nan 8.310 nan 0.000 0.564 1003 V N 4.143 124.176 119.914 0.197 0.000 2.385 1003 V HA 0.457 4.577 4.120 -0.000 0.000 0.269 1003 V C 0.790 177.042 176.094 0.264 0.000 1.043 1003 V CA -0.394 62.024 62.300 0.197 0.000 0.906 1003 V CB 0.764 32.669 31.823 0.137 0.000 0.995 1003 V HN 0.676 nan 8.190 nan 0.000 0.467 1004 S N 4.672 120.558 115.700 0.309 0.000 2.572 1004 S HA 0.330 4.800 4.470 -0.000 0.000 0.279 1004 S C 1.506 176.267 174.600 0.268 0.000 1.341 1004 S CA 0.033 58.410 58.200 0.296 0.000 1.043 1004 S CB 1.400 64.741 63.200 0.235 0.000 0.887 1004 S HN 1.063 nan 8.310 nan 0.000 0.516 1005 A N 2.150 125.066 122.820 0.159 0.000 1.958 1005 A HA -0.188 4.132 4.320 -0.000 0.000 0.221 1005 A C 1.915 179.509 177.584 0.016 0.000 1.178 1005 A CA 1.968 54.075 52.037 0.117 0.000 0.642 1005 A CB -1.169 17.879 19.000 0.080 0.000 0.816 1005 A HN 0.994 nan 8.150 nan 0.000 0.453 1006 E N -1.211 118.901 120.200 -0.147 0.000 2.409 1006 E HA -0.086 4.264 4.350 -0.000 0.000 0.198 1006 E C 0.776 176.997 176.600 -0.632 0.000 1.024 1006 E CA 0.991 57.134 56.400 -0.428 0.000 0.861 1006 E CB -0.312 28.974 29.700 -0.691 0.000 0.788 1006 E HN 0.793 nan 8.360 nan 0.000 0.521 1007 F N 0.870 120.872 119.950 0.087 0.000 2.678 1007 F HA 0.199 4.726 4.527 -0.000 0.000 0.305 1007 F C 0.667 176.509 175.800 0.071 0.000 1.090 1007 F CA -0.451 57.600 58.000 0.084 0.000 1.272 1007 F CB 0.370 39.418 39.000 0.080 0.000 1.060 1007 F HN -0.160 nan 8.300 nan 0.000 0.576 1008 Q N 1.188 121.108 119.800 0.200 0.000 2.227 1008 Q HA 0.408 4.748 4.340 -0.000 0.000 0.245 1008 Q C -0.225 175.819 176.000 0.073 0.000 0.926 1008 Q CA -0.540 55.366 55.803 0.173 0.000 0.895 1008 Q CB 1.829 30.767 28.738 0.334 0.000 1.230 1008 Q HN 0.236 nan 8.270 nan 0.000 0.450 1009 L N 2.356 123.594 121.223 0.025 0.000 2.422 1009 L HA 0.117 4.457 4.340 -0.000 0.000 0.256 1009 L C 0.612 177.382 176.870 -0.166 0.000 1.202 1009 L CA -0.064 54.750 54.840 -0.044 0.000 1.119 1009 L CB -0.295 41.638 42.059 -0.211 0.000 1.383 1009 L HN 0.732 nan 8.230 nan 0.000 0.411 1010 S N -1.064 114.498 115.700 -0.230 0.000 2.539 1010 S HA 0.115 4.585 4.470 -0.000 0.000 0.221 1010 S C 1.790 176.294 174.600 -0.161 0.000 0.987 1010 S CA 0.220 58.113 58.200 -0.511 0.000 0.929 1010 S CB 0.681 63.635 63.200 -0.410 0.000 0.832 1010 S HN 0.513 nan 8.310 nan 0.000 0.492 1011 A N 1.850 124.622 122.820 -0.081 0.000 2.024 1011 A HA 0.354 4.674 4.320 -0.000 0.000 0.220 1011 A C 2.203 179.631 177.584 -0.259 0.000 1.164 1011 A CA 1.629 53.489 52.037 -0.296 0.000 0.643 1011 A CB -1.401 17.145 19.000 -0.755 0.000 0.806 1011 A HN 1.528 nan 8.150 nan 0.000 0.451 1012 G N -1.860 106.878 108.800 -0.104 0.000 2.363 1012 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.238 1012 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.238 1012 G C 0.423 175.298 174.900 -0.043 0.000 1.062 1012 G CA 0.455 45.549 45.100 -0.009 0.000 0.629 1012 G HN 0.728 nan 8.290 nan 0.000 0.514 1013 R N -0.653 119.656 120.500 -0.319 0.000 2.574 1013 R HA 0.650 4.990 4.340 -0.000 0.000 0.288 1013 R C -1.626 174.333 176.300 -0.569 0.000 1.004 1013 R CA -0.632 55.333 56.100 -0.224 0.000 0.895 1013 R CB 1.581 31.817 30.300 -0.106 0.000 1.191 1013 R HN 0.215 nan 8.270 nan 0.000 0.444 1014 Y N 0.315 120.611 120.300 -0.006 0.000 2.477 1014 Y HA 0.377 4.927 4.550 -0.000 0.000 0.347 1014 Y C -0.370 175.703 175.900 0.287 0.000 0.981 1014 Y CA -0.899 57.193 58.100 -0.014 0.000 1.033 1014 Y CB 2.169 40.445 38.460 -0.307 0.000 1.245 1014 Y HN 0.591 nan 8.280 nan 0.000 0.455 1015 H N 2.599 121.970 119.070 0.501 0.000 2.771 1015 H HA 0.643 5.199 4.556 -0.000 0.000 0.361 1015 H C -1.743 173.955 175.328 0.618 0.000 1.108 1015 H CA -0.981 55.327 56.048 0.434 0.000 1.201 1015 H CB 1.321 31.228 29.762 0.242 0.000 1.681 1015 H HN 0.597 nan 8.280 nan 0.000 0.534 1016 Y N 1.280 121.281 120.300 -0.498 0.000 2.656 1016 Y HA 0.526 5.076 4.550 -0.000 0.000 0.334 1016 Y C -2.009 173.684 175.900 -0.346 0.000 1.179 1016 Y CA -1.096 56.826 58.100 -0.297 0.000 1.050 1016 Y CB 1.310 39.713 38.460 -0.095 0.000 1.308 1016 Y HN 0.700 nan 8.280 nan 0.000 0.456 1017 Q N 2.774 122.547 119.800 -0.044 0.000 2.416 1017 Q HA 0.805 5.145 4.340 -0.000 0.000 0.281 1017 Q C -1.929 174.138 176.000 0.111 0.000 1.067 1017 Q CA -1.124 54.655 55.803 -0.040 0.000 0.809 1017 Q CB 3.650 32.406 28.738 0.030 0.000 1.418 1017 Q HN 0.770 nan 8.270 nan 0.000 0.411 1018 L N 0.825 122.096 121.223 0.079 0.000 2.465 1018 L HA 0.695 5.035 4.340 -0.000 0.000 0.257 1018 L C -1.513 175.464 176.870 0.178 0.000 0.988 1018 L CA -1.132 53.792 54.840 0.140 0.000 0.827 1018 L CB 2.809 44.924 42.059 0.094 0.000 1.397 1018 L HN 0.475 nan 8.230 nan 0.000 0.410 1019 V N 1.427 121.480 119.914 0.233 0.000 2.531 1019 V HA 0.484 4.604 4.120 -0.000 0.000 0.301 1019 V C -1.039 175.250 176.094 0.326 0.000 1.034 1019 V CA -0.452 62.003 62.300 0.257 0.000 0.865 1019 V CB 2.136 34.082 31.823 0.205 0.000 0.995 1019 V HN 0.638 nan 8.190 nan 0.000 0.424 1023 K N 0.000 120.337 120.400 -0.105 0.000 2.780 1023 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 1023 K CA 0.000 56.245 56.287 -0.070 0.000 0.838 1023 K CB 0.000 32.468 32.500 -0.053 0.000 1.064 1023 K HN 0.000 nan 8.250 nan 0.000 0.543