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 1gho_1_O 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 0.000 176.142 176.117 0.041 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 0.026 0.000 1.214 4 T N -2.318 112.267 114.554 0.052 0.000 3.081 4 T HA 0.218 4.568 4.350 -0.000 0.000 0.250 4 T C 0.924 175.655 174.700 0.052 0.000 1.100 4 T CA 0.967 63.083 62.100 0.026 0.000 1.038 4 T CB -0.377 68.505 68.868 0.023 0.000 0.962 4 T HN 0.248 nan 8.240 nan 0.000 0.516 5 D N 2.373 122.863 120.400 0.149 0.000 2.340 5 D HA 0.087 4.727 4.640 -0.000 0.000 0.220 5 D C 0.960 177.472 176.300 0.353 0.000 1.039 5 D CA 0.158 54.352 54.000 0.323 0.000 0.866 5 D CB 0.055 41.064 40.800 0.349 0.000 0.913 5 D HN 0.567 nan 8.370 nan 0.000 0.523 6 S N 0.067 115.859 115.700 0.154 0.000 2.548 6 S HA 0.086 4.556 4.470 -0.000 0.000 0.277 6 S C 1.335 175.988 174.600 0.088 0.000 1.315 6 S CA -0.681 57.569 58.200 0.082 0.000 1.050 6 S CB 1.271 64.487 63.200 0.026 0.000 0.918 6 S HN -0.115 nan 8.310 nan 0.000 0.497 7 L N 3.574 124.826 121.223 0.049 0.000 2.051 7 L HA -0.126 4.214 4.340 -0.000 0.000 0.214 7 L C 2.898 179.787 176.870 0.032 0.000 1.076 7 L CA 2.503 57.377 54.840 0.057 0.000 0.758 7 L CB -1.543 40.502 42.059 -0.024 0.000 0.890 7 L HN 0.989 nan 8.230 nan 0.000 0.433 8 A N -1.825 121.000 122.820 0.008 0.000 2.015 8 A HA -0.097 4.223 4.320 -0.000 0.000 0.219 8 A C 2.393 179.971 177.584 -0.009 0.000 1.163 8 A CA 1.740 53.779 52.037 0.003 0.000 0.646 8 A CB -0.572 18.425 19.000 -0.004 0.000 0.806 8 A HN 0.233 nan 8.150 nan 0.000 0.448 9 V N -1.023 118.877 119.914 -0.023 0.000 2.341 9 V HA -0.129 3.991 4.120 -0.000 0.000 0.240 9 V C 2.541 178.562 176.094 -0.122 0.000 1.035 9 V CA 1.514 63.778 62.300 -0.061 0.000 1.033 9 V CB -0.377 31.413 31.823 -0.054 0.000 0.678 9 V HN 0.320 nan 8.190 nan 0.000 0.464 10 V N 0.754 120.567 119.914 -0.168 0.000 2.250 10 V HA -0.298 3.822 4.120 -0.000 0.000 0.250 10 V C 2.163 178.135 176.094 -0.204 0.000 1.060 10 V CA 2.243 64.328 62.300 -0.357 0.000 1.030 10 V CB -0.695 30.869 31.823 -0.432 0.000 0.643 10 V HN 0.482 nan 8.190 nan 0.000 0.445 11 L N 0.281 121.494 121.223 -0.017 0.000 2.622 11 L HA -0.104 4.236 4.340 -0.000 0.000 0.233 11 L C 2.337 179.279 176.870 0.121 0.000 1.156 11 L CA 0.798 55.761 54.840 0.205 0.000 0.866 11 L CB -0.710 41.516 42.059 0.279 0.000 0.980 11 L HN 0.443 nan 8.230 nan 0.000 0.448 12 Q N 0.713 120.510 119.800 -0.005 0.000 2.137 12 Q HA -0.103 4.237 4.340 -0.000 0.000 0.198 12 Q C 2.306 178.248 176.000 -0.098 0.000 0.960 12 Q CA 1.184 56.965 55.803 -0.037 0.000 0.847 12 Q CB 0.020 28.728 28.738 -0.050 0.000 0.915 12 Q HN 0.191 nan 8.270 nan 0.000 0.448 13 R N 0.511 120.933 120.500 -0.129 0.000 2.096 13 R HA 0.010 4.350 4.340 -0.000 0.000 0.235 13 R C 0.286 176.417 176.300 -0.282 0.000 1.127 13 R CA 1.134 57.130 56.100 -0.175 0.000 0.968 13 R CB -0.230 29.965 30.300 -0.174 0.000 0.861 13 R HN 0.352 nan 8.270 nan 0.000 0.440 14 R N 0.784 121.032 120.500 -0.420 0.000 3.261 14 R HA -0.122 4.218 4.340 -0.000 0.000 0.257 14 R C -0.136 175.698 176.300 -0.776 0.000 1.014 14 R CA 0.411 55.877 56.100 -1.057 0.000 0.681 14 R CB -1.232 28.581 30.300 -0.812 0.000 1.155 14 R HN 0.322 nan 8.270 nan 0.000 0.424 15 D N -0.316 119.821 120.400 -0.438 0.000 2.221 15 D HA -0.186 4.454 4.640 -0.000 0.000 0.204 15 D C 1.588 177.850 176.300 -0.063 0.000 0.982 15 D CA 1.765 55.575 54.000 -0.317 0.000 0.857 15 D CB -0.138 40.263 40.800 -0.664 0.000 0.934 15 D HN 0.726 nan 8.370 nan 0.000 0.475 16 W N 1.611 122.946 121.300 0.058 0.000 3.292 16 W HA 0.159 4.819 4.660 -0.000 0.000 0.263 16 W C 0.252 176.875 176.519 0.175 0.000 1.318 16 W CA -0.215 57.258 57.345 0.213 0.000 1.663 16 W CB -0.263 29.355 29.460 0.263 0.000 1.114 16 W HN -0.164 nan 8.180 nan 0.000 0.706 17 E N 1.027 121.057 120.200 -0.284 0.000 3.306 17 E HA 0.085 4.435 4.350 -0.000 0.000 0.197 17 E C -0.836 175.644 176.600 -0.200 0.000 0.980 17 E CA -0.285 56.014 56.400 -0.169 0.000 1.259 17 E CB -0.173 29.471 29.700 -0.093 0.000 1.112 17 E HN 0.077 nan 8.360 nan 0.000 0.458 18 N N 1.241 119.850 118.700 -0.153 0.000 2.572 18 N HA 0.140 4.880 4.740 -0.000 0.000 0.287 18 N C -2.373 173.015 175.510 -0.202 0.000 1.136 18 N CA -1.932 50.994 53.050 -0.206 0.000 0.900 18 N CB 1.627 40.000 38.487 -0.189 0.000 1.484 18 N HN -0.227 nan 8.380 nan 0.000 0.526 19 P HA 0.075 nan 4.420 nan 0.000 0.230 19 P C 1.074 178.144 177.300 -0.383 0.000 1.158 19 P CA 0.657 63.435 63.100 -0.537 0.000 0.769 19 P CB 0.169 31.094 31.700 -1.293 0.000 0.807 20 G N -0.343 108.277 108.800 -0.302 0.000 2.572 20 G HA2 0.036 3.996 3.960 -0.000 0.000 0.216 20 G HA3 0.036 3.996 3.960 -0.000 0.000 0.216 20 G C 0.322 175.151 174.900 -0.117 0.000 1.133 20 G CA 0.213 45.190 45.100 -0.206 0.000 0.791 20 G HN 0.211 nan 8.290 nan 0.000 0.538 21 V N 1.444 121.311 119.914 -0.080 0.000 2.326 21 V HA 0.355 4.475 4.120 -0.000 0.000 0.281 21 V C 0.850 177.005 176.094 0.102 0.000 1.015 21 V CA 0.153 62.461 62.300 0.013 0.000 0.823 21 V CB 1.214 33.041 31.823 0.007 0.000 1.009 21 V HN 0.304 nan 8.190 nan 0.000 0.436 22 T N 0.741 115.340 114.554 0.074 0.000 2.985 22 T HA 0.353 4.703 4.350 -0.000 0.000 0.254 22 T C 0.275 174.987 174.700 0.020 0.000 1.021 22 T CA 0.218 62.351 62.100 0.055 0.000 0.957 22 T CB 0.385 69.248 68.868 -0.010 0.000 1.047 22 T HN 0.691 nan 8.240 nan 0.000 0.511 23 Q N 0.339 120.199 119.800 0.099 0.000 2.756 23 Q HA 0.712 5.052 4.340 -0.000 0.000 0.295 23 Q C -2.191 173.929 176.000 0.200 0.000 0.903 23 Q CA -1.096 54.751 55.803 0.073 0.000 0.768 23 Q CB 1.078 29.786 28.738 -0.049 0.000 1.472 23 Q HN 0.230 nan 8.270 nan 0.000 0.416 24 L N 1.703 123.070 121.223 0.240 0.000 2.580 24 L HA 0.558 4.898 4.340 -0.000 0.000 0.266 24 L C -0.791 176.225 176.870 0.244 0.000 0.955 24 L CA -0.806 54.197 54.840 0.271 0.000 0.886 24 L CB 1.887 44.207 42.059 0.435 0.000 1.263 24 L HN 0.867 nan 8.230 nan 0.000 0.406 25 N N 0.578 119.380 118.700 0.171 0.000 2.800 25 N HA -0.204 4.536 4.740 -0.000 0.000 0.250 25 N C 0.220 175.807 175.510 0.129 0.000 1.078 25 N CA 0.730 53.880 53.050 0.167 0.000 0.804 25 N CB -0.744 37.828 38.487 0.142 0.000 1.135 25 N HN 0.690 nan 8.380 nan 0.000 0.565 26 R N 1.209 121.657 120.500 -0.086 0.000 2.340 26 R HA 0.402 4.742 4.340 -0.000 0.000 0.300 26 R C 0.700 176.854 176.300 -0.243 0.000 1.069 26 R CA -0.328 55.491 56.100 -0.469 0.000 0.984 26 R CB 0.558 30.579 30.300 -0.465 0.000 1.003 26 R HN 0.123 nan 8.270 nan 0.000 0.459 27 L N 2.751 123.824 121.223 -0.251 0.000 2.479 27 L HA 0.328 4.668 4.340 -0.000 0.000 0.248 27 L C 0.756 177.589 176.870 -0.061 0.000 1.205 27 L CA -0.629 54.160 54.840 -0.085 0.000 0.817 27 L CB 0.462 42.509 42.059 -0.020 0.000 1.162 27 L HN 0.738 nan 8.230 nan 0.000 0.486 28 A N 0.488 123.315 122.820 0.012 0.000 2.366 28 A HA 0.553 4.873 4.320 -0.000 0.000 0.249 28 A C 0.158 177.786 177.584 0.074 0.000 1.084 28 A CA -0.023 52.033 52.037 0.033 0.000 0.794 28 A CB 0.283 19.322 19.000 0.065 0.000 1.034 28 A HN 0.766 nan 8.150 nan 0.000 0.491 29 A N 0.731 123.544 122.820 -0.011 0.000 2.304 29 A HA 0.724 5.044 4.320 -0.000 0.000 0.271 29 A C 0.030 177.555 177.584 -0.098 0.000 1.091 29 A CA 0.364 52.321 52.037 -0.134 0.000 0.812 29 A CB -0.001 18.904 19.000 -0.159 0.000 1.056 29 A HN 1.791 nan 8.150 nan 0.000 0.489 30 H N -2.523 116.447 119.070 -0.167 0.000 2.904 30 H HA 0.597 5.153 4.556 -0.000 0.000 0.290 30 H C -3.352 171.749 175.328 -0.379 0.000 1.437 30 H CA -1.736 54.172 56.048 -0.234 0.000 1.147 30 H CB 0.016 29.606 29.762 -0.287 0.000 1.824 30 H HN 0.403 nan 8.280 nan 0.000 0.505 31 P HA 0.207 nan 4.420 nan 0.000 0.274 31 P C -2.592 174.458 177.300 -0.417 0.000 1.260 31 P CA -1.488 61.396 63.100 -0.360 0.000 0.793 31 P CB -0.376 31.086 31.700 -0.397 0.000 1.048 32 P HA 0.143 nan 4.420 nan 0.000 0.271 32 P C -0.845 176.517 177.300 0.103 0.000 1.226 32 P CA 0.774 63.822 63.100 -0.087 0.000 0.765 32 P CB -0.126 31.595 31.700 0.034 0.000 0.835 33 F N 1.389 121.461 119.950 0.203 0.000 2.492 33 F HA 0.584 5.111 4.527 -0.000 0.000 0.327 33 F C 1.138 176.889 175.800 -0.081 0.000 1.079 33 F CA -0.951 57.100 58.000 0.084 0.000 0.967 33 F CB 2.028 41.032 39.000 0.007 0.000 1.169 33 F HN 0.235 nan 8.300 nan 0.000 0.472 34 A N 0.564 123.351 122.820 -0.054 0.000 2.340 34 A HA 0.253 4.573 4.320 -0.000 0.000 0.213 34 A C 0.819 178.123 177.584 -0.467 0.000 1.299 34 A CA 0.486 52.232 52.037 -0.485 0.000 0.994 34 A CB -0.035 18.125 19.000 -1.400 0.000 1.132 34 A HN 0.772 nan 8.150 nan 0.000 0.519 35 S N -0.203 115.325 115.700 -0.287 0.000 3.783 35 S HA -0.131 4.339 4.470 -0.000 0.000 0.360 35 S C -0.057 174.461 174.600 -0.137 0.000 1.006 35 S CA 0.330 58.406 58.200 -0.206 0.000 1.115 35 S CB -1.707 61.357 63.200 -0.227 0.000 0.893 35 S HN 0.493 nan 8.310 nan 0.000 0.475 36 W N 1.366 122.659 121.300 -0.011 0.000 2.148 36 W HA 0.162 4.822 4.660 -0.000 0.000 0.347 36 W C 1.546 178.058 176.519 -0.011 0.000 1.288 36 W CA -0.197 57.150 57.345 0.002 0.000 1.252 36 W CB 0.168 29.629 29.460 0.001 0.000 1.156 36 W HN 0.375 nan 8.180 nan 0.000 0.580 37 R N 1.532 122.195 120.500 0.271 0.000 2.508 37 R HA 0.093 4.433 4.340 -0.000 0.000 0.300 37 R C 0.089 176.469 176.300 0.133 0.000 0.970 37 R CA -0.062 56.131 56.100 0.155 0.000 1.102 37 R CB 0.383 30.743 30.300 0.099 0.000 1.246 37 R HN 0.422 nan 8.270 nan 0.000 0.539 38 N N 0.510 119.306 118.700 0.160 0.000 2.425 38 N HA -0.022 4.718 4.740 -0.000 0.000 0.289 38 N C 0.378 175.880 175.510 -0.014 0.000 1.074 38 N CA 0.101 53.191 53.050 0.067 0.000 0.905 38 N CB 2.193 40.713 38.487 0.055 0.000 1.586 38 N HN -0.103 nan 8.380 nan 0.000 0.490 39 S N 2.760 118.431 115.700 -0.049 0.000 2.359 39 S HA -0.158 4.312 4.470 -0.000 0.000 0.224 39 S C 1.177 175.636 174.600 -0.235 0.000 1.035 39 S CA 1.267 59.397 58.200 -0.117 0.000 1.018 39 S CB -0.208 62.957 63.200 -0.058 0.000 0.876 39 S HN 0.670 nan 8.310 nan 0.000 0.448 40 E N 0.935 121.018 120.200 -0.196 0.000 2.110 40 E HA -0.124 4.226 4.350 -0.000 0.000 0.193 40 E C 2.206 178.623 176.600 -0.304 0.000 0.988 40 E CA 1.156 57.402 56.400 -0.256 0.000 0.804 40 E CB -0.334 29.258 29.700 -0.180 0.000 0.745 40 E HN 0.753 nan 8.360 nan 0.000 0.458 41 E N 0.620 120.663 120.200 -0.262 0.000 2.051 41 E HA -0.156 4.194 4.350 -0.000 0.000 0.192 41 E C 2.081 178.195 176.600 -0.810 0.000 0.991 41 E CA 0.980 57.211 56.400 -0.281 0.000 0.799 41 E CB -0.082 29.620 29.700 0.003 0.000 0.748 41 E HN 0.178 nan 8.360 nan 0.000 0.449 42 A N 1.580 123.627 122.820 -1.288 0.000 1.902 42 A HA -0.216 4.104 4.320 -0.000 0.000 0.217 42 A C 2.104 179.067 177.584 -1.035 0.000 1.181 42 A CA 1.634 52.446 52.037 -2.043 0.000 0.623 42 A CB -0.505 17.810 19.000 -1.140 0.000 0.818 42 A HN 0.113 nan 8.150 nan 0.000 0.443 43 R N -0.073 120.033 120.500 -0.656 0.000 2.152 43 R HA -0.110 4.230 4.340 -0.000 0.000 0.232 43 R C 1.440 177.493 176.300 -0.412 0.000 1.117 43 R CA 1.938 57.726 56.100 -0.520 0.000 0.981 43 R CB -0.354 29.563 30.300 -0.638 0.000 0.870 43 R HN 0.584 nan 8.270 nan 0.000 0.451 44 T N -2.845 111.488 114.554 -0.368 0.000 3.105 44 T HA 0.111 4.461 4.350 -0.000 0.000 0.253 44 T C 0.044 174.665 174.700 -0.132 0.000 1.047 44 T CA 0.150 62.119 62.100 -0.220 0.000 0.944 44 T CB 0.247 69.010 68.868 -0.175 0.000 1.016 44 T HN 0.254 nan 8.240 nan 0.000 0.544 45 D N 1.338 121.627 120.400 -0.185 0.000 2.800 45 D HA -0.151 4.489 4.640 -0.000 0.000 0.232 45 D C 0.051 176.457 176.300 0.176 0.000 1.137 45 D CA 0.387 54.409 54.000 0.037 0.000 0.718 45 D CB -0.855 40.002 40.800 0.096 0.000 1.084 45 D HN 0.553 nan 8.370 nan 0.000 0.432 46 R N -0.113 120.486 120.500 0.164 0.000 2.652 46 R HA 0.492 4.832 4.340 -0.000 0.000 0.271 46 R C -2.123 174.440 176.300 0.438 0.000 1.129 46 R CA -1.196 55.053 56.100 0.248 0.000 1.200 46 R CB -0.001 30.391 30.300 0.153 0.000 1.146 46 R HN 0.102 nan 8.270 nan 0.000 0.581 47 P HA 0.043 nan 4.420 nan 0.000 0.279 47 P C -0.650 176.763 177.300 0.188 0.000 1.239 47 P CA -0.136 63.089 63.100 0.208 0.000 0.789 47 P CB 1.145 32.925 31.700 0.132 0.000 0.933 48 S N 1.795 117.486 115.700 -0.014 0.000 2.525 48 S HA 0.166 4.636 4.470 -0.000 0.000 0.290 48 S C 0.935 175.520 174.600 -0.024 0.000 1.152 48 S CA -0.538 57.578 58.200 -0.139 0.000 1.072 48 S CB 0.884 63.645 63.200 -0.732 0.000 1.027 48 S HN 0.373 nan 8.310 nan 0.000 0.500 49 Q N 1.717 121.549 119.800 0.052 0.000 2.472 49 Q HA -0.009 4.331 4.340 -0.000 0.000 0.208 49 Q C 0.787 176.925 176.000 0.230 0.000 0.958 49 Q CA 0.348 56.231 55.803 0.135 0.000 0.932 49 Q CB -0.144 28.685 28.738 0.151 0.000 1.007 49 Q HN 0.781 nan 8.270 nan 0.000 0.508 50 Q N 0.493 120.356 119.800 0.105 0.000 2.365 50 Q HA 0.148 4.488 4.340 -0.000 0.000 0.203 50 Q C 0.012 176.054 176.000 0.070 0.000 0.929 50 Q CA 0.135 55.981 55.803 0.073 0.000 0.948 50 Q CB 0.102 28.779 28.738 -0.102 0.000 1.043 50 Q HN 0.160 nan 8.270 nan 0.000 0.505 51 L N 1.173 122.462 121.223 0.111 0.000 2.343 51 L HA 0.467 4.807 4.340 -0.000 0.000 0.278 51 L C -1.158 175.801 176.870 0.147 0.000 0.996 51 L CA -0.372 54.523 54.840 0.092 0.000 0.831 51 L CB 1.469 43.505 42.059 -0.038 0.000 1.232 51 L HN -0.101 nan 8.230 nan 0.000 0.413 52 R N 2.781 123.394 120.500 0.187 0.000 2.561 52 R HA 0.456 4.796 4.340 -0.000 0.000 0.297 52 R C -0.909 175.430 176.300 0.066 0.000 0.969 52 R CA -0.592 55.586 56.100 0.130 0.000 0.879 52 R CB 2.264 32.658 30.300 0.157 0.000 1.178 52 R HN 0.691 nan 8.270 nan 0.000 0.445 53 S N 2.690 118.418 115.700 0.046 0.000 2.565 53 S HA 0.276 4.746 4.470 -0.000 0.000 0.274 53 S C 0.971 175.590 174.600 0.033 0.000 1.309 53 S CA -0.430 57.791 58.200 0.034 0.000 1.043 53 S CB 0.509 63.737 63.200 0.046 0.000 0.939 53 S HN 0.540 nan 8.310 nan 0.000 0.504 54 L N 3.457 124.709 121.223 0.048 0.000 2.857 54 L HA 0.285 4.625 4.340 -0.000 0.000 0.249 54 L C -0.019 177.059 176.870 0.347 0.000 1.172 54 L CA -0.255 54.649 54.840 0.106 0.000 0.980 54 L CB -0.330 41.763 42.059 0.055 0.000 1.299 54 L HN 0.497 nan 8.230 nan 0.000 0.535 55 N N 1.380 120.207 118.700 0.212 0.000 2.530 55 N HA 0.512 5.252 4.740 -0.000 0.000 0.273 55 N C 0.634 176.294 175.510 0.251 0.000 1.173 55 N CA 0.770 53.949 53.050 0.215 0.000 0.967 55 N CB 1.688 40.226 38.487 0.085 0.000 1.109 55 N HN 0.304 nan 8.380 nan 0.000 0.453 56 G N 0.768 109.752 108.800 0.307 0.000 2.366 56 G HA2 -0.061 3.899 3.960 -0.000 0.000 0.190 56 G HA3 -0.061 3.899 3.960 -0.000 0.000 0.190 56 G C -1.349 173.790 174.900 0.399 0.000 1.299 56 G CA -0.750 44.511 45.100 0.267 0.000 1.056 56 G HN 0.467 nan 8.290 nan 0.000 0.468 57 E N -0.306 120.087 120.200 0.322 0.000 2.313 57 E HA 0.529 4.879 4.350 -0.000 0.000 0.276 57 E C -1.131 175.738 176.600 0.449 0.000 1.031 57 E CA -0.126 56.471 56.400 0.328 0.000 0.857 57 E CB 0.809 30.615 29.700 0.177 0.000 1.040 57 E HN 0.383 nan 8.360 nan 0.000 0.408 58 W N 1.656 123.045 121.300 0.147 0.000 3.047 58 W HA 0.402 5.062 4.660 -0.000 0.000 0.341 58 W C -0.530 176.106 176.519 0.196 0.000 1.225 58 W CA -0.740 56.721 57.345 0.195 0.000 1.150 58 W CB 0.879 30.511 29.460 0.286 0.000 1.470 58 W HN 0.265 nan 8.180 nan 0.000 0.578 59 R N 1.606 122.368 120.500 0.437 0.000 2.428 59 R HA 0.655 4.995 4.340 -0.000 0.000 0.294 59 R C -1.401 175.102 176.300 0.338 0.000 1.000 59 R CA -0.783 55.508 56.100 0.318 0.000 0.960 59 R CB 1.577 32.009 30.300 0.221 0.000 1.076 59 R HN 0.450 nan 8.270 nan 0.000 0.475 60 F N 0.526 120.495 119.950 0.033 0.000 2.578 60 F HA 0.664 5.191 4.527 -0.000 0.000 0.311 60 F C -1.480 174.180 175.800 -0.233 0.000 1.094 60 F CA -0.625 57.256 58.000 -0.199 0.000 0.923 60 F CB 2.082 40.852 39.000 -0.383 0.000 1.230 60 F HN 0.680 nan 8.300 nan 0.000 0.450 61 A N 4.228 126.168 122.820 -1.468 0.000 2.549 61 A HA 0.601 4.921 4.320 -0.000 0.000 0.297 61 A C -2.492 174.217 177.584 -1.457 0.000 1.061 61 A CA -0.560 50.802 52.037 -1.124 0.000 0.690 61 A CB 0.778 19.476 19.000 -0.503 0.000 1.287 61 A HN 0.970 nan 8.150 nan 0.000 0.402 62 W N 1.820 122.341 121.300 -1.299 0.000 2.689 62 W HA 0.793 5.453 4.660 -0.000 0.000 0.340 62 W C -1.967 173.956 176.519 -0.992 0.000 1.060 62 W CA -0.442 56.302 57.345 -1.002 0.000 1.218 62 W CB 1.448 30.505 29.460 -0.672 0.000 1.410 62 W HN 0.519 nan 8.180 nan 0.000 0.528 63 F N 4.806 124.120 119.950 -1.060 0.000 2.631 63 F HA 0.348 4.875 4.527 -0.000 0.000 0.308 63 F C -1.533 173.456 175.800 -1.352 0.000 1.097 63 F CA -2.390 55.116 58.000 -0.824 0.000 0.952 63 F CB 1.395 40.075 39.000 -0.534 0.000 1.307 63 F HN 0.142 nan 8.300 nan 0.000 0.450 64 P HA 0.078 nan 4.420 nan 0.000 0.226 64 P C -0.241 176.965 177.300 -0.157 0.000 1.153 64 P CA 1.038 63.958 63.100 -0.300 0.000 0.777 64 P CB 0.578 32.317 31.700 0.066 0.000 0.794 65 A N -1.051 121.682 122.820 -0.145 0.000 2.605 65 A HA 0.521 4.841 4.320 -0.000 0.000 0.294 65 A C -2.379 175.107 177.584 -0.162 0.000 1.062 65 A CA -1.088 50.893 52.037 -0.093 0.000 0.682 65 A CB 0.611 19.616 19.000 0.007 0.000 1.278 65 A HN -0.290 nan 8.150 nan 0.000 0.410 66 P HA -0.142 nan 4.420 nan 0.000 0.216 66 P C 0.846 178.035 177.300 -0.185 0.000 1.150 66 P CA 1.646 64.600 63.100 -0.243 0.000 0.837 66 P CB 0.203 31.733 31.700 -0.284 0.000 0.786 67 E N 0.291 120.448 120.200 -0.072 0.000 2.171 67 E HA -0.138 4.212 4.350 -0.000 0.000 0.197 67 E C 2.101 178.653 176.600 -0.080 0.000 0.997 67 E CA 1.538 57.917 56.400 -0.035 0.000 0.810 67 E CB -0.894 28.824 29.700 0.029 0.000 0.738 67 E HN 0.228 nan 8.360 nan 0.000 0.467 68 A N 0.730 123.488 122.820 -0.102 0.000 2.206 68 A HA 0.032 4.352 4.320 -0.000 0.000 0.211 68 A C 0.846 178.252 177.584 -0.297 0.000 1.158 68 A CA 0.071 52.065 52.037 -0.072 0.000 0.761 68 A CB -0.012 19.038 19.000 0.083 0.000 0.801 68 A HN 0.043 nan 8.150 nan 0.000 0.473 69 V N 2.527 122.105 119.914 -0.559 0.000 2.572 69 V HA 0.213 4.333 4.120 -0.000 0.000 0.291 69 V C -2.132 173.746 176.094 -0.358 0.000 1.039 69 V CA -1.307 60.487 62.300 -0.842 0.000 1.055 69 V CB 0.756 32.009 31.823 -0.951 0.000 0.969 69 V HN 0.338 nan 8.190 nan 0.000 0.482 70 P HA 0.330 nan 4.420 nan 0.000 0.294 70 P C 0.441 177.718 177.300 -0.038 0.000 1.294 70 P CA -0.521 62.529 63.100 -0.085 0.000 0.827 70 P CB 1.644 33.341 31.700 -0.006 0.000 0.992 71 E N 1.715 121.888 120.200 -0.045 0.000 2.169 71 E HA -0.234 4.116 4.350 -0.000 0.000 0.202 71 E C 1.672 178.234 176.600 -0.062 0.000 1.016 71 E CA 2.427 58.792 56.400 -0.058 0.000 0.817 71 E CB -0.293 29.374 29.700 -0.055 0.000 0.736 71 E HN 0.438 nan 8.360 nan 0.000 0.462 72 S N -0.202 115.486 115.700 -0.021 0.000 2.383 72 S HA -0.231 4.239 4.470 -0.000 0.000 0.229 72 S C 1.412 175.989 174.600 -0.038 0.000 1.030 72 S CA 1.125 59.312 58.200 -0.021 0.000 1.002 72 S CB -0.740 62.472 63.200 0.020 0.000 0.829 72 S HN 0.548 nan 8.310 nan 0.000 0.467 73 W N 2.693 123.902 121.300 -0.153 0.000 2.292 73 W HA -0.185 4.475 4.660 -0.000 0.000 0.304 73 W C 1.589 177.993 176.519 -0.192 0.000 1.228 73 W CA 1.103 58.349 57.345 -0.166 0.000 1.241 73 W CB -0.641 28.692 29.460 -0.212 0.000 1.142 73 W HN 0.246 nan 8.180 nan 0.000 0.520 74 L N 0.054 120.955 121.223 -0.537 0.000 2.083 74 L HA -0.206 4.134 4.340 -0.000 0.000 0.209 74 L C 2.516 179.106 176.870 -0.466 0.000 1.083 74 L CA 1.504 55.924 54.840 -0.700 0.000 0.752 74 L CB -0.669 41.039 42.059 -0.585 0.000 0.899 74 L HN -0.037 nan 8.230 nan 0.000 0.433 75 E N -1.458 118.565 120.200 -0.295 0.000 2.132 75 E HA 0.103 4.453 4.350 -0.000 0.000 0.193 75 E C 0.271 176.779 176.600 -0.153 0.000 0.951 75 E CA 0.388 56.678 56.400 -0.184 0.000 0.843 75 E CB 0.283 29.915 29.700 -0.113 0.000 0.807 75 E HN 0.307 nan 8.360 nan 0.000 0.467 76 C N 2.216 121.438 119.300 -0.131 0.000 2.563 76 C HA 0.362 4.822 4.460 -0.000 0.000 0.314 76 C C -0.093 174.883 174.990 -0.022 0.000 1.199 76 C CA -1.307 57.671 59.018 -0.067 0.000 1.564 76 C CB 1.445 29.169 27.740 -0.027 0.000 2.173 76 C HN 0.214 nan 8.230 nan 0.000 0.485 77 D N 1.602 122.009 120.400 0.011 0.000 2.419 77 D HA 0.193 4.833 4.640 -0.000 0.000 0.236 77 D C 0.025 176.398 176.300 0.121 0.000 1.165 77 D CA 0.503 54.561 54.000 0.096 0.000 0.882 77 D CB 0.621 41.474 40.800 0.088 0.000 1.201 77 D HN 0.367 nan 8.370 nan 0.000 0.443 78 L N 2.513 123.838 121.223 0.171 0.000 2.421 78 L HA 0.206 4.546 4.340 -0.000 0.000 0.263 78 L C -1.027 175.888 176.870 0.075 0.000 1.122 78 L CA -1.540 53.374 54.840 0.124 0.000 0.804 78 L CB 0.621 42.762 42.059 0.136 0.000 1.150 78 L HN 0.261 nan 8.230 nan 0.000 0.457 79 P HA -0.082 nan 4.420 nan 0.000 0.217 79 P C 0.635 177.951 177.300 0.027 0.000 1.154 79 P CA 1.032 64.153 63.100 0.036 0.000 0.841 79 P CB 0.186 31.903 31.700 0.028 0.000 0.788 80 E N 0.067 120.277 120.200 0.018 0.000 2.502 80 E HA 0.263 4.613 4.350 -0.000 0.000 0.194 80 E C 0.756 177.352 176.600 -0.008 0.000 1.062 80 E CA -0.141 56.257 56.400 -0.003 0.000 0.867 80 E CB -0.491 29.191 29.700 -0.030 0.000 0.888 80 E HN 0.177 nan 8.360 nan 0.000 0.510 81 A N 1.541 124.369 122.820 0.013 0.000 2.425 81 A HA 0.108 4.428 4.320 -0.000 0.000 0.249 81 A C -0.101 177.520 177.584 0.062 0.000 1.084 81 A CA -0.394 51.652 52.037 0.015 0.000 0.781 81 A CB 0.388 19.422 19.000 0.056 0.000 1.019 81 A HN 0.034 nan 8.150 nan 0.000 0.490 82 D N 0.537 121.000 120.400 0.105 0.000 2.387 82 D HA 0.418 5.058 4.640 -0.000 0.000 0.255 82 D C -0.516 175.881 176.300 0.163 0.000 1.081 82 D CA 0.109 54.196 54.000 0.146 0.000 0.994 82 D CB 1.335 42.268 40.800 0.221 0.000 1.127 82 D HN 0.423 nan 8.370 nan 0.000 0.513 83 T N 0.799 115.433 114.554 0.134 0.000 2.758 83 T HA 0.430 4.780 4.350 -0.000 0.000 0.285 83 T C -0.190 174.583 174.700 0.122 0.000 0.981 83 T CA -0.444 61.742 62.100 0.142 0.000 0.965 83 T CB 1.077 70.008 68.868 0.106 0.000 0.927 83 T HN 0.016 nan 8.240 nan 0.000 0.448 84 V N 3.705 123.723 119.914 0.173 0.000 3.001 84 V HA 0.513 4.633 4.120 -0.000 0.000 0.314 84 V C -0.264 175.939 176.094 0.181 0.000 1.099 84 V CA -0.801 61.564 62.300 0.108 0.000 0.989 84 V CB 2.588 34.488 31.823 0.127 0.000 1.040 84 V HN 0.631 nan 8.190 nan 0.000 0.434 85 V N 3.476 123.471 119.914 0.136 0.000 2.546 85 V HA 0.431 4.551 4.120 -0.000 0.000 0.284 85 V C -0.210 175.960 176.094 0.127 0.000 1.050 85 V CA -0.212 62.180 62.300 0.153 0.000 0.981 85 V CB 1.633 33.517 31.823 0.102 0.000 0.990 85 V HN 0.548 nan 8.190 nan 0.000 0.474 86 V N 7.609 127.532 119.914 0.015 0.000 2.487 86 V HA 0.478 4.598 4.120 -0.000 0.000 0.298 86 V C -2.254 173.754 176.094 -0.145 0.000 1.028 86 V CA -1.591 60.586 62.300 -0.205 0.000 0.860 86 V CB 2.459 33.808 31.823 -0.790 0.000 0.991 86 V HN 0.778 nan 8.190 nan 0.000 0.427 87 P HA 0.615 nan 4.420 nan 0.000 0.282 87 P C -0.899 176.353 177.300 -0.079 0.000 1.259 87 P CA -0.301 62.706 63.100 -0.155 0.000 0.826 87 P CB 1.740 33.351 31.700 -0.149 0.000 1.064 88 S N -0.077 115.594 115.700 -0.048 0.000 2.656 88 S HA 0.382 4.852 4.470 -0.000 0.000 0.265 88 S C -1.488 173.075 174.600 -0.062 0.000 1.110 88 S CA -1.012 57.145 58.200 -0.071 0.000 0.821 88 S CB 0.105 63.259 63.200 -0.076 0.000 1.099 88 S HN 0.357 nan 8.310 nan 0.000 0.471 89 N N 1.032 119.619 118.700 -0.189 0.000 2.417 89 N HA 0.449 5.189 4.740 -0.000 0.000 0.274 89 N C 0.429 175.791 175.510 -0.247 0.000 0.987 89 N CA -0.759 52.155 53.050 -0.227 0.000 0.912 89 N CB 0.761 39.072 38.487 -0.294 0.000 1.177 89 N HN 0.828 nan 8.380 nan 0.000 0.490 90 W N 2.781 123.962 121.300 -0.199 0.000 2.421 90 W HA -0.091 4.569 4.660 -0.000 0.000 0.270 90 W C 0.877 177.371 176.519 -0.042 0.000 1.233 90 W CA 0.912 58.139 57.345 -0.197 0.000 1.226 90 W CB -0.386 28.888 29.460 -0.311 0.000 1.121 90 W HN 0.509 nan 8.180 nan 0.000 0.579 91 Q N 0.296 120.086 119.800 -0.016 0.000 2.224 91 Q HA -0.105 4.235 4.340 -0.000 0.000 0.203 91 Q C 2.029 177.999 176.000 -0.050 0.000 0.970 91 Q CA 1.596 57.408 55.803 0.016 0.000 0.865 91 Q CB -0.565 28.065 28.738 -0.180 0.000 0.922 91 Q HN 0.211 nan 8.270 nan 0.000 0.445 92 M N -0.937 118.572 119.600 -0.151 0.000 2.630 92 M HA -0.024 4.456 4.480 -0.000 0.000 0.254 92 M C 0.473 176.773 176.300 -0.001 0.000 1.092 92 M CA 1.264 56.468 55.300 -0.159 0.000 1.087 92 M CB -0.519 31.925 32.600 -0.260 0.000 1.453 92 M HN 0.345 nan 8.290 nan 0.000 0.509 93 H N -1.621 117.484 119.070 0.059 0.000 2.755 93 H HA 0.358 4.914 4.556 -0.000 0.000 0.273 93 H C 1.322 176.542 175.328 -0.180 0.000 1.055 93 H CA 0.192 56.254 56.048 0.023 0.000 1.191 93 H CB 0.733 30.610 29.762 0.191 0.000 1.536 93 H HN 0.492 nan 8.280 nan 0.000 0.529 94 G N 0.466 109.261 108.800 -0.008 0.000 2.195 94 G HA2 -0.358 3.602 3.960 -0.000 0.000 0.224 94 G HA3 -0.358 3.602 3.960 -0.000 0.000 0.224 94 G C 0.529 175.286 174.900 -0.238 0.000 0.990 94 G CA 0.278 45.275 45.100 -0.171 0.000 0.639 94 G HN 0.406 nan 8.290 nan 0.000 0.514 95 Y N 2.153 122.423 120.300 -0.050 0.000 2.165 95 Y HA 0.201 4.751 4.550 -0.000 0.000 0.286 95 Y C 1.677 177.298 175.900 -0.465 0.000 1.155 95 Y CA 1.615 59.511 58.100 -0.340 0.000 1.164 95 Y CB -0.196 37.983 38.460 -0.467 0.000 0.978 95 Y HN 0.634 nan 8.280 nan 0.000 0.513 96 D N -2.311 118.167 120.400 0.130 0.000 2.692 96 D HA 0.549 5.189 4.640 -0.000 0.000 0.303 96 D C -1.189 175.214 176.300 0.171 0.000 1.278 96 D CA -0.818 53.281 54.000 0.166 0.000 0.852 96 D CB 0.806 41.876 40.800 0.450 0.000 1.375 96 D HN 0.038 nan 8.370 nan 0.000 0.453 97 A N -0.245 122.681 122.820 0.176 0.000 2.304 97 A HA 0.717 5.037 4.320 -0.000 0.000 0.301 97 A C -2.431 175.193 177.584 0.067 0.000 1.132 97 A CA -1.244 50.870 52.037 0.128 0.000 0.819 97 A CB 0.151 19.282 19.000 0.218 0.000 1.094 97 A HN 0.505 nan 8.150 nan 0.000 0.492 98 P HA 0.464 nan 4.420 nan 0.000 0.278 98 P C -0.872 176.576 177.300 0.247 0.000 1.238 98 P CA 0.061 63.110 63.100 -0.085 0.000 0.794 98 P CB 0.702 32.101 31.700 -0.503 0.000 0.955 99 I N 2.404 123.205 120.570 0.386 0.000 2.441 99 I HA 0.284 4.454 4.170 -0.000 0.000 0.295 99 I C -0.504 175.801 176.117 0.312 0.000 0.994 99 I CA -0.942 60.584 61.300 0.377 0.000 1.144 99 I CB 1.623 39.772 38.000 0.249 0.000 1.314 99 I HN 0.312 nan 8.210 nan 0.000 0.445 100 Y N 5.588 125.853 120.300 -0.059 0.000 2.842 100 Y HA 0.428 4.978 4.550 -0.000 0.000 0.334 100 Y C -0.250 175.495 175.900 -0.258 0.000 1.019 100 Y CA -0.324 57.461 58.100 -0.524 0.000 1.258 100 Y CB 0.973 38.499 38.460 -1.556 0.000 1.106 100 Y HN 0.549 nan 8.280 nan 0.000 0.545 101 T N 3.862 117.899 114.554 -0.861 0.000 2.887 101 T HA 0.270 4.620 4.350 -0.000 0.000 0.288 101 T C 0.329 174.521 174.700 -0.846 0.000 1.021 101 T CA -0.507 61.142 62.100 -0.753 0.000 1.000 101 T CB 1.398 70.046 68.868 -0.366 0.000 1.034 101 T HN 0.866 nan 8.240 nan 0.000 0.467 102 N N 2.096 120.374 118.700 -0.704 0.000 2.335 102 N HA 0.033 4.773 4.740 -0.000 0.000 0.197 102 N C 1.455 176.692 175.510 -0.455 0.000 1.045 102 N CA 0.484 53.234 53.050 -0.500 0.000 0.928 102 N CB 0.218 38.437 38.487 -0.448 0.000 1.118 102 N HN 0.354 nan 8.380 nan 0.000 0.471 103 V N 0.487 120.068 119.914 -0.555 0.000 2.436 103 V HA 0.053 4.173 4.120 -0.000 0.000 0.240 103 V C 0.557 176.310 176.094 -0.568 0.000 1.040 103 V CA 0.776 62.653 62.300 -0.705 0.000 1.052 103 V CB -0.060 31.275 31.823 -0.814 0.000 0.707 103 V HN 0.321 nan 8.190 nan 0.000 0.469 104 T N 1.226 115.523 114.554 -0.429 0.000 2.867 104 T HA 0.114 4.464 4.350 -0.000 0.000 0.297 104 T C -0.403 174.146 174.700 -0.252 0.000 0.989 104 T CA 0.326 62.254 62.100 -0.287 0.000 1.159 104 T CB -0.342 68.393 68.868 -0.221 0.000 0.928 104 T HN 0.192 nan 8.240 nan 0.000 0.538 105 Y N 5.201 125.392 120.300 -0.182 0.000 2.597 105 Y HA 0.111 4.661 4.550 -0.000 0.000 0.336 105 Y C -0.874 174.888 175.900 -0.229 0.000 1.216 105 Y CA -1.823 56.157 58.100 -0.200 0.000 1.463 105 Y CB 0.387 38.727 38.460 -0.200 0.000 1.303 105 Y HN 0.546 nan 8.280 nan 0.000 0.576 106 P HA -0.120 nan 4.420 nan 0.000 0.220 106 P C 0.167 177.278 177.300 -0.314 0.000 1.148 106 P CA 1.363 64.353 63.100 -0.183 0.000 0.803 106 P CB 0.149 31.749 31.700 -0.167 0.000 0.782 107 I N -4.401 115.901 120.570 -0.446 0.000 3.205 107 I HA 0.462 4.632 4.170 -0.000 0.000 0.310 107 I C -0.483 175.495 176.117 -0.232 0.000 1.089 107 I CA -1.043 59.983 61.300 -0.457 0.000 1.023 107 I CB 1.263 38.831 38.000 -0.721 0.000 1.269 107 I HN -0.418 nan 8.210 nan 0.000 0.512 108 T N 2.230 116.688 114.554 -0.160 0.000 2.884 108 T HA 0.242 4.592 4.350 -0.000 0.000 0.298 108 T C 0.139 174.819 174.700 -0.034 0.000 0.998 108 T CA -0.372 61.691 62.100 -0.061 0.000 1.124 108 T CB 1.142 70.002 68.868 -0.014 0.000 0.931 108 T HN 0.383 nan 8.240 nan 0.000 0.531 109 V N 4.612 124.524 119.914 -0.003 0.000 2.326 109 V HA 0.221 4.341 4.120 -0.000 0.000 0.249 109 V C 0.656 176.794 176.094 0.074 0.000 1.114 109 V CA -0.172 62.148 62.300 0.033 0.000 1.028 109 V CB -0.676 31.149 31.823 0.003 0.000 1.170 109 V HN 0.810 nan 8.190 nan 0.000 0.494 110 N N 5.405 124.210 118.700 0.174 0.000 2.673 110 N HA 0.277 5.017 4.740 -0.000 0.000 0.265 110 N C -2.974 172.581 175.510 0.075 0.000 1.709 110 N CA -1.455 51.684 53.050 0.149 0.000 0.792 110 N CB 1.462 40.093 38.487 0.240 0.000 1.286 110 N HN 0.250 nan 8.380 nan 0.000 0.506 111 P HA 0.150 nan 4.420 nan 0.000 0.262 111 P C -2.292 174.718 177.300 -0.483 0.000 1.182 111 P CA -0.686 61.950 63.100 -0.772 0.000 0.761 111 P CB 0.436 31.555 31.700 -0.970 0.000 0.795 112 P HA 0.250 nan 4.420 nan 0.000 0.266 112 P C -0.567 176.572 177.300 -0.268 0.000 1.561 112 P CA -0.344 62.500 63.100 -0.426 0.000 1.089 112 P CB 0.026 31.500 31.700 -0.377 0.000 1.534 113 F N -0.327 119.734 119.950 0.184 0.000 2.399 113 F HA 0.300 4.827 4.527 -0.000 0.000 0.342 113 F C 1.144 177.114 175.800 0.283 0.000 1.106 113 F CA -0.835 57.282 58.000 0.196 0.000 1.196 113 F CB 0.986 40.053 39.000 0.111 0.000 1.163 113 F HN -0.286 nan 8.300 nan 0.000 0.547 114 V N 3.177 123.380 119.914 0.482 0.000 2.975 114 V HA 0.450 4.570 4.120 -0.000 0.000 0.318 114 V C -1.957 174.322 176.094 0.309 0.000 1.077 114 V CA -1.943 60.567 62.300 0.350 0.000 1.000 114 V CB 2.095 34.221 31.823 0.504 0.000 1.066 114 V HN 0.550 nan 8.190 nan 0.000 0.452 115 P HA 0.141 nan 4.420 nan 0.000 0.274 115 P C 0.702 178.163 177.300 0.267 0.000 1.237 115 P CA 0.021 63.237 63.100 0.195 0.000 0.793 115 P CB 0.648 32.428 31.700 0.132 0.000 0.977 116 T N -1.055 113.620 114.554 0.201 0.000 2.833 116 T HA -0.141 4.209 4.350 -0.000 0.000 0.269 116 T C 0.308 175.123 174.700 0.193 0.000 1.054 116 T CA 1.113 63.332 62.100 0.197 0.000 1.135 116 T CB -0.653 68.296 68.868 0.135 0.000 0.869 116 T HN 0.372 nan 8.240 nan 0.000 0.466 117 E N 2.834 123.152 120.200 0.197 0.000 1.996 117 E HA 0.440 4.790 4.350 -0.000 0.000 0.280 117 E C -0.646 176.108 176.600 0.256 0.000 1.092 117 E CA -0.271 56.244 56.400 0.192 0.000 0.862 117 E CB 0.442 30.261 29.700 0.199 0.000 1.066 117 E HN 0.365 nan 8.360 nan 0.000 0.396 118 N N 3.625 122.426 118.700 0.168 0.000 2.577 118 N HA 0.267 5.007 4.740 -0.000 0.000 0.275 118 N C -2.849 172.629 175.510 -0.055 0.000 1.091 118 N CA -2.627 50.521 53.050 0.162 0.000 0.843 118 N CB 1.148 39.778 38.487 0.238 0.000 1.295 118 N HN -0.005 nan 8.380 nan 0.000 0.530 119 P HA -0.014 nan 4.420 nan 0.000 0.250 119 P C -0.651 176.524 177.300 -0.208 0.000 1.161 119 P CA 0.622 63.598 63.100 -0.207 0.000 0.863 119 P CB -0.104 31.751 31.700 0.257 0.000 0.827 120 T N 2.850 117.089 114.554 -0.525 0.000 2.837 120 T HA 0.550 4.900 4.350 -0.000 0.000 0.285 120 T C 0.691 174.952 174.700 -0.731 0.000 0.984 120 T CA -0.395 61.444 62.100 -0.435 0.000 1.049 120 T CB 1.346 69.969 68.868 -0.408 0.000 0.947 120 T HN 0.301 nan 8.240 nan 0.000 0.472 121 G N 1.127 109.616 108.800 -0.519 0.000 2.605 121 G HA2 0.476 4.436 3.960 -0.000 0.000 0.304 121 G HA3 0.476 4.436 3.960 -0.000 0.000 0.304 121 G C -0.320 174.386 174.900 -0.323 0.000 1.333 121 G CA -0.486 44.203 45.100 -0.684 0.000 0.973 121 G HN 0.899 nan 8.290 nan 0.000 0.507 122 C N 3.027 121.894 119.300 -0.721 0.000 2.281 122 C HA 0.511 4.971 4.460 -0.000 0.000 0.336 122 C C -0.386 174.472 174.990 -0.220 0.000 1.217 122 C CA -1.036 57.581 59.018 -0.668 0.000 1.730 122 C CB -1.751 24.991 27.740 -1.663 0.000 2.338 122 C HN 0.598 nan 8.230 nan 0.000 0.521 123 Y N 1.770 122.240 120.300 0.284 0.000 2.457 123 Y HA 0.670 5.220 4.550 -0.000 0.000 0.333 123 Y C 0.763 177.120 175.900 0.762 0.000 1.119 123 Y CA -0.432 58.005 58.100 0.562 0.000 1.143 123 Y CB 1.481 40.285 38.460 0.573 0.000 1.230 123 Y HN 0.732 nan 8.280 nan 0.000 0.469 124 S N 1.908 118.114 115.700 0.843 0.000 2.537 124 S HA 0.786 5.256 4.470 -0.000 0.000 0.271 124 S C -1.814 172.868 174.600 0.138 0.000 1.148 124 S CA -0.827 57.665 58.200 0.486 0.000 0.868 124 S CB 1.881 65.304 63.200 0.372 0.000 1.115 124 S HN 0.752 nan 8.310 nan 0.000 0.461 125 L N 0.664 121.810 121.223 -0.129 0.000 2.513 125 L HA 0.781 5.121 4.340 -0.000 0.000 0.261 125 L C -1.445 175.384 176.870 -0.069 0.000 0.945 125 L CA 0.025 54.623 54.840 -0.402 0.000 0.848 125 L CB 2.358 43.588 42.059 -1.383 0.000 1.334 125 L HN 0.863 nan 8.230 nan 0.000 0.407 126 T N 5.233 119.768 114.554 -0.033 0.000 2.770 126 T HA 0.748 5.098 4.350 -0.000 0.000 0.283 126 T C -0.915 173.853 174.700 0.112 0.000 0.988 126 T CA -0.078 62.046 62.100 0.040 0.000 0.957 126 T CB 0.378 69.226 68.868 -0.034 0.000 0.930 126 T HN 0.487 nan 8.240 nan 0.000 0.443 127 F N 0.848 120.714 119.950 -0.140 0.000 2.685 127 F HA 0.734 5.261 4.527 -0.000 0.000 0.315 127 F C -0.915 174.825 175.800 -0.100 0.000 1.126 127 F CA -1.514 56.410 58.000 -0.127 0.000 0.950 127 F CB 1.371 40.285 39.000 -0.143 0.000 1.360 127 F HN 0.228 nan 8.300 nan 0.000 0.469 128 N N 0.163 118.783 118.700 -0.132 0.000 2.399 128 N HA 0.665 5.405 4.740 -0.000 0.000 0.295 128 N C -1.643 173.789 175.510 -0.129 0.000 1.048 128 N CA -0.579 52.356 53.050 -0.191 0.000 0.886 128 N CB 2.182 40.599 38.487 -0.116 0.000 1.185 128 N HN 0.576 nan 8.380 nan 0.000 0.487 129 V N 1.495 121.296 119.914 -0.188 0.000 2.495 129 V HA 0.243 4.363 4.120 -0.000 0.000 0.298 129 V C -0.245 175.714 176.094 -0.224 0.000 1.031 129 V CA -0.951 61.246 62.300 -0.170 0.000 0.871 129 V CB 1.519 33.305 31.823 -0.061 0.000 0.988 129 V HN 0.661 nan 8.190 nan 0.000 0.432 130 D N 3.181 123.336 120.400 -0.407 0.000 2.424 130 D HA -0.014 4.626 4.640 -0.000 0.000 0.244 130 D C 1.300 177.506 176.300 -0.157 0.000 1.134 130 D CA 0.116 53.924 54.000 -0.321 0.000 0.881 130 D CB 1.202 41.748 40.800 -0.424 0.000 1.191 130 D HN 0.833 nan 8.370 nan 0.000 0.445 131 E N 2.235 122.389 120.200 -0.076 0.000 2.347 131 E HA -0.195 4.155 4.350 -0.000 0.000 0.196 131 E C 1.358 177.986 176.600 0.047 0.000 1.008 131 E CA 0.774 57.172 56.400 -0.004 0.000 0.852 131 E CB -0.031 29.665 29.700 -0.008 0.000 0.783 131 E HN 0.367 nan 8.360 nan 0.000 0.505 132 S N 0.340 116.066 115.700 0.043 0.000 2.370 132 S HA -0.184 4.286 4.470 -0.000 0.000 0.226 132 S C 1.442 176.140 174.600 0.163 0.000 1.033 132 S CA 1.308 59.569 58.200 0.101 0.000 1.011 132 S CB -0.596 62.673 63.200 0.115 0.000 0.852 132 S HN 0.585 nan 8.310 nan 0.000 0.457 133 W N 1.388 122.547 121.300 -0.236 0.000 2.392 133 W HA 0.196 4.856 4.660 -0.000 0.000 0.279 133 W C 2.120 178.586 176.519 -0.087 0.000 1.225 133 W CA 0.088 57.164 57.345 -0.448 0.000 1.233 133 W CB -0.798 28.428 29.460 -0.390 0.000 1.122 133 W HN 0.338 nan 8.180 nan 0.000 0.561 134 L N -0.542 120.811 121.223 0.217 0.000 2.341 134 L HA -0.138 4.202 4.340 -0.000 0.000 0.214 134 L C 2.197 179.143 176.870 0.125 0.000 1.115 134 L CA 0.873 55.812 54.840 0.165 0.000 0.820 134 L CB -0.255 41.872 42.059 0.112 0.000 0.944 134 L HN -0.000 nan 8.230 nan 0.000 0.452 135 Q N -0.258 119.609 119.800 0.112 0.000 2.008 135 Q HA -0.084 4.256 4.340 -0.000 0.000 0.196 135 Q C 0.842 176.898 176.000 0.094 0.000 0.973 135 Q CA 0.899 56.754 55.803 0.086 0.000 0.826 135 Q CB 0.011 28.790 28.738 0.068 0.000 0.894 135 Q HN 0.193 nan 8.270 nan 0.000 0.439 136 E N 0.593 120.866 120.200 0.122 0.000 2.235 136 E HA 0.463 4.813 4.350 -0.000 0.000 0.265 136 E C 0.296 177.000 176.600 0.175 0.000 0.940 136 E CA 0.015 56.485 56.400 0.116 0.000 0.819 136 E CB 1.265 31.018 29.700 0.089 0.000 1.206 136 E HN 0.287 nan 8.360 nan 0.000 0.409 137 G N 1.890 110.714 108.800 0.040 0.000 2.632 137 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.224 137 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.224 137 G C -0.946 173.887 174.900 -0.111 0.000 1.341 137 G CA 0.050 45.070 45.100 -0.133 0.000 0.880 137 G HN 0.783 nan 8.290 nan 0.000 0.566 138 Q N -0.397 119.208 119.800 -0.325 0.000 2.347 138 Q HA 0.646 4.986 4.340 -0.000 0.000 0.271 138 Q C -1.293 174.599 176.000 -0.179 0.000 1.064 138 Q CA -0.442 55.259 55.803 -0.170 0.000 0.800 138 Q CB 1.892 30.558 28.738 -0.120 0.000 1.304 138 Q HN 0.643 nan 8.270 nan 0.000 0.438 139 T N 4.965 119.544 114.554 0.040 0.000 2.815 139 T HA 0.483 4.833 4.350 -0.000 0.000 0.289 139 T C -0.716 174.066 174.700 0.137 0.000 1.000 139 T CA -0.630 61.545 62.100 0.125 0.000 0.958 139 T CB 0.565 69.624 68.868 0.317 0.000 0.944 139 T HN 0.625 nan 8.240 nan 0.000 0.442 140 R N 3.169 123.726 120.500 0.094 0.000 2.854 140 R HA 0.757 5.097 4.340 -0.000 0.000 0.271 140 R C -1.230 175.136 176.300 0.110 0.000 0.994 140 R CA -0.979 55.192 56.100 0.118 0.000 0.945 140 R CB 1.661 32.016 30.300 0.092 0.000 1.194 140 R HN 0.531 nan 8.270 nan 0.000 0.476 141 I N 2.728 123.371 120.570 0.123 0.000 2.460 141 I HA 0.431 4.601 4.170 -0.000 0.000 0.298 141 I C -1.029 175.096 176.117 0.013 0.000 0.989 141 I CA -1.364 59.951 61.300 0.025 0.000 1.173 141 I CB 1.397 39.391 38.000 -0.010 0.000 1.338 141 I HN 0.620 nan 8.210 nan 0.000 0.456 142 I N 7.228 127.703 120.570 -0.158 0.000 2.447 142 I HA 0.284 4.454 4.170 -0.000 0.000 0.287 142 I C -1.254 174.655 176.117 -0.347 0.000 1.023 142 I CA -0.406 60.816 61.300 -0.129 0.000 1.083 142 I CB 1.552 39.513 38.000 -0.064 0.000 1.245 142 I HN 0.369 nan 8.210 nan 0.000 0.434 143 F N 4.521 124.480 119.950 0.015 0.000 2.334 143 F HA 0.266 4.793 4.527 -0.000 0.000 0.367 143 F C 1.320 177.026 175.800 -0.156 0.000 1.115 143 F CA -0.493 57.448 58.000 -0.099 0.000 1.116 143 F CB 0.738 39.654 39.000 -0.141 0.000 1.230 143 F HN 0.461 nan 8.300 nan 0.000 0.484 144 D N 2.336 122.691 120.400 -0.075 0.000 2.263 144 D HA 0.016 4.656 4.640 -0.000 0.000 0.208 144 D C 1.003 177.157 176.300 -0.243 0.000 0.971 144 D CA 1.058 54.960 54.000 -0.163 0.000 0.867 144 D CB 0.285 40.946 40.800 -0.232 0.000 0.929 144 D HN 0.648 nan 8.370 nan 0.000 0.492 145 G N -0.882 107.704 108.800 -0.357 0.000 2.682 145 G HA2 0.431 4.391 3.960 -0.000 0.000 0.300 145 G HA3 0.431 4.391 3.960 -0.000 0.000 0.300 145 G C -1.622 172.907 174.900 -0.619 0.000 1.396 145 G CA -0.515 44.243 45.100 -0.571 0.000 1.104 145 G HN -0.051 nan 8.290 nan 0.000 0.587 146 V N 2.385 122.155 119.914 -0.241 0.000 2.612 146 V HA 0.556 4.676 4.120 -0.000 0.000 0.301 146 V C -0.897 175.258 176.094 0.103 0.000 1.059 146 V CA -1.164 61.030 62.300 -0.176 0.000 0.886 146 V CB 1.950 33.399 31.823 -0.623 0.000 1.007 146 V HN 0.756 nan 8.190 nan 0.000 0.426 147 N N 2.351 121.142 118.700 0.152 0.000 2.372 147 N HA 0.366 5.106 4.740 -0.000 0.000 0.285 147 N C 0.621 176.082 175.510 -0.083 0.000 1.008 147 N CA 0.187 53.258 53.050 0.035 0.000 0.880 147 N CB 2.377 40.785 38.487 -0.131 0.000 1.239 147 N HN 0.667 nan 8.380 nan 0.000 0.484 148 S N 2.056 117.736 115.700 -0.033 0.000 2.505 148 S HA 0.540 5.010 4.470 -0.000 0.000 0.216 148 S C 0.322 174.987 174.600 0.108 0.000 1.018 148 S CA 0.218 58.450 58.200 0.052 0.000 0.911 148 S CB 0.240 63.487 63.200 0.079 0.000 0.818 148 S HN 0.697 nan 8.310 nan 0.000 0.497 149 A N 0.723 123.620 122.820 0.129 0.000 2.606 149 A HA 0.795 5.115 4.320 -0.000 0.000 0.293 149 A C -1.268 176.459 177.584 0.239 0.000 1.082 149 A CA -0.934 51.166 52.037 0.105 0.000 0.685 149 A CB 0.939 20.020 19.000 0.134 0.000 1.284 149 A HN 1.188 nan 8.150 nan 0.000 0.408 150 F N -0.662 119.167 119.950 -0.203 0.000 2.725 150 F HA 0.695 5.222 4.527 -0.000 0.000 0.309 150 F C -1.364 174.442 175.800 0.009 0.000 1.132 150 F CA -0.777 57.192 58.000 -0.052 0.000 0.957 150 F CB 1.015 39.954 39.000 -0.101 0.000 1.286 150 F HN 0.643 nan 8.300 nan 0.000 0.440 151 H N 2.032 121.298 119.070 0.326 0.000 2.499 151 H HA 0.773 5.329 4.556 -0.000 0.000 0.340 151 H C -1.420 173.975 175.328 0.113 0.000 1.148 151 H CA -0.718 55.440 56.048 0.183 0.000 1.215 151 H CB 2.421 32.322 29.762 0.231 0.000 1.529 151 H HN 0.816 nan 8.280 nan 0.000 0.510 152 L N 2.407 123.526 121.223 -0.173 0.000 2.408 152 L HA 0.413 4.753 4.340 -0.000 0.000 0.268 152 L C -1.737 174.877 176.870 -0.426 0.000 0.986 152 L CA -0.529 54.242 54.840 -0.114 0.000 0.820 152 L CB 1.727 43.586 42.059 -0.333 0.000 1.303 152 L HN 0.513 nan 8.230 nan 0.000 0.411 153 W N 4.192 125.466 121.300 -0.043 0.000 2.761 153 W HA 0.624 5.284 4.660 -0.000 0.000 0.340 153 W C -1.138 175.315 176.519 -0.111 0.000 1.072 153 W CA -0.789 56.500 57.345 -0.094 0.000 1.215 153 W CB 2.094 31.529 29.460 -0.043 0.000 1.420 153 W HN 0.646 nan 8.180 nan 0.000 0.519 154 C N 4.835 124.207 119.300 0.119 0.000 2.397 154 C HA 0.298 4.758 4.460 -0.000 0.000 0.325 154 C C 0.162 175.253 174.990 0.168 0.000 1.201 154 C CA -0.389 58.683 59.018 0.091 0.000 1.377 154 C CB -0.498 27.218 27.740 -0.039 0.000 2.038 154 C HN 0.808 nan 8.230 nan 0.000 0.457 155 N N 3.713 122.482 118.700 0.115 0.000 2.727 155 N HA -0.187 4.553 4.740 -0.000 0.000 0.249 155 N C 0.985 176.554 175.510 0.097 0.000 1.048 155 N CA 2.063 55.160 53.050 0.078 0.000 0.714 155 N CB -1.330 37.207 38.487 0.083 0.000 0.959 155 N HN 1.873 nan 8.380 nan 0.000 0.544 156 G N -1.275 107.573 108.800 0.080 0.000 2.225 156 G HA2 -0.372 3.588 3.960 -0.000 0.000 0.254 156 G HA3 -0.372 3.588 3.960 -0.000 0.000 0.254 156 G C 0.174 175.243 174.900 0.281 0.000 0.988 156 G CA 0.552 45.693 45.100 0.069 0.000 0.625 156 G HN 0.551 nan 8.290 nan 0.000 0.527 157 R N -0.709 120.016 120.500 0.377 0.000 2.312 157 R HA 0.415 4.755 4.340 -0.000 0.000 0.311 157 R C -0.150 176.430 176.300 0.467 0.000 1.004 157 R CA -0.858 55.536 56.100 0.490 0.000 0.902 157 R CB 0.749 31.373 30.300 0.540 0.000 1.073 157 R HN 0.249 nan 8.270 nan 0.000 0.457 158 W N 4.188 125.620 121.300 0.220 0.000 2.308 158 W HA 0.055 4.715 4.660 -0.000 0.000 0.324 158 W C 0.025 176.386 176.519 -0.262 0.000 1.387 158 W CA 0.064 57.165 57.345 -0.405 0.000 1.250 158 W CB 0.616 29.849 29.460 -0.379 0.000 1.257 158 W HN 0.354 nan 8.180 nan 0.000 0.554 159 V N 5.520 124.578 119.914 -1.425 0.000 2.806 159 V HA 0.542 4.662 4.120 -0.000 0.000 0.239 159 V C 1.081 176.201 176.094 -1.624 0.000 1.113 159 V CA 0.974 62.491 62.300 -1.304 0.000 1.137 159 V CB -0.363 30.762 31.823 -1.163 0.000 0.865 159 V HN 0.801 nan 8.190 nan 0.000 0.482 160 G N -1.678 105.942 108.800 -1.967 0.000 2.340 160 G HA2 0.463 4.423 3.960 -0.000 0.000 0.299 160 G HA3 0.463 4.423 3.960 -0.000 0.000 0.299 160 G C -2.462 172.157 174.900 -0.468 0.000 1.291 160 G CA -0.281 44.137 45.100 -1.136 0.000 0.841 160 G HN -0.016 nan 8.290 nan 0.000 0.500 161 Y N -0.542 119.646 120.300 -0.187 0.000 2.562 161 Y HA 0.727 5.277 4.550 -0.000 0.000 0.345 161 Y C -0.076 175.649 175.900 -0.292 0.000 1.045 161 Y CA -0.144 57.761 58.100 -0.326 0.000 1.028 161 Y CB 2.266 40.664 38.460 -0.105 0.000 1.297 161 Y HN 1.290 nan 8.280 nan 0.000 0.463 162 G N 3.509 111.479 108.800 -1.383 0.000 2.733 162 G HA2 0.583 4.543 3.960 -0.000 0.000 0.297 162 G HA3 0.583 4.543 3.960 -0.000 0.000 0.297 162 G C -2.156 172.269 174.900 -0.792 0.000 1.422 162 G CA -0.902 43.663 45.100 -0.893 0.000 0.942 162 G HN 0.605 nan 8.290 nan 0.000 0.510 163 Q N -0.032 119.551 119.800 -0.363 0.000 2.496 163 Q HA 0.607 4.947 4.340 -0.000 0.000 0.286 163 Q C -1.330 174.658 176.000 -0.020 0.000 1.103 163 Q CA -0.882 54.832 55.803 -0.148 0.000 0.813 163 Q CB 2.735 31.431 28.738 -0.070 0.000 1.444 163 Q HN 0.637 nan 8.270 nan 0.000 0.443 164 D N -0.074 120.355 120.400 0.049 0.000 4.370 164 D HA -0.098 4.542 4.640 -0.000 0.000 0.238 164 D C -0.401 175.956 176.300 0.096 0.000 1.104 164 D CA 0.551 54.597 54.000 0.077 0.000 1.101 164 D CB -0.681 40.150 40.800 0.051 0.000 0.749 164 D HN 0.569 nan 8.370 nan 0.000 0.351 165 S N 3.112 118.885 115.700 0.122 0.000 2.500 165 S HA -0.162 4.308 4.470 -0.000 0.000 0.239 165 S C 1.696 176.415 174.600 0.199 0.000 0.989 165 S CA 0.999 59.300 58.200 0.169 0.000 0.951 165 S CB 0.025 63.315 63.200 0.151 0.000 0.759 165 S HN 0.642 nan 8.310 nan 0.000 0.523 166 R N 0.288 120.874 120.500 0.142 0.000 2.334 166 R HA 0.397 4.737 4.340 -0.000 0.000 0.212 166 R C 0.140 176.500 176.300 0.099 0.000 0.897 166 R CA 0.070 56.255 56.100 0.143 0.000 1.056 166 R CB -0.205 30.185 30.300 0.149 0.000 1.046 166 R HN 0.342 nan 8.270 nan 0.000 0.513 167 L N 1.919 123.176 121.223 0.056 0.000 2.333 167 L HA 0.501 4.841 4.340 -0.000 0.000 0.263 167 L C -2.431 174.427 176.870 -0.020 0.000 1.014 167 L CA -2.695 52.151 54.840 0.011 0.000 0.820 167 L CB 2.441 44.498 42.059 -0.004 0.000 1.352 167 L HN -0.210 nan 8.230 nan 0.000 0.421 168 P HA 0.055 nan 4.420 nan 0.000 0.265 168 P C -1.056 176.228 177.300 -0.027 0.000 1.193 168 P CA -0.042 63.029 63.100 -0.048 0.000 0.765 168 P CB 0.649 32.286 31.700 -0.105 0.000 0.823 169 S N 2.065 117.809 115.700 0.073 0.000 2.449 169 S HA 0.344 4.814 4.470 -0.000 0.000 0.310 169 S C -0.350 174.261 174.600 0.018 0.000 1.096 169 S CA -0.642 57.578 58.200 0.033 0.000 1.095 169 S CB 0.921 64.246 63.200 0.209 0.000 1.007 169 S HN 0.371 nan 8.310 nan 0.000 0.474 170 E N 1.911 121.936 120.200 -0.292 0.000 2.238 170 E HA 0.615 4.965 4.350 -0.000 0.000 0.267 170 E C -1.459 174.878 176.600 -0.439 0.000 0.887 170 E CA -0.629 55.674 56.400 -0.162 0.000 0.769 170 E CB 1.619 31.309 29.700 -0.016 0.000 1.187 170 E HN 0.428 nan 8.360 nan 0.000 0.416 171 F N 0.160 120.168 119.950 0.097 0.000 2.588 171 F HA 0.246 4.773 4.527 -0.000 0.000 0.310 171 F C -0.071 175.758 175.800 0.049 0.000 1.082 171 F CA -1.254 56.776 58.000 0.050 0.000 0.929 171 F CB 1.185 40.184 39.000 -0.002 0.000 1.254 171 F HN 0.234 nan 8.300 nan 0.000 0.455 172 D N 2.212 122.771 120.400 0.264 0.000 2.339 172 D HA 0.232 4.872 4.640 -0.000 0.000 0.256 172 D C 0.467 176.909 176.300 0.236 0.000 1.214 172 D CA 0.391 54.513 54.000 0.204 0.000 0.877 172 D CB 0.976 41.885 40.800 0.182 0.000 1.111 172 D HN 0.595 nan 8.370 nan 0.000 0.478 173 L N 2.533 123.893 121.223 0.229 0.000 2.554 173 L HA -0.038 4.302 4.340 -0.000 0.000 0.225 173 L C 2.216 179.338 176.870 0.419 0.000 1.104 173 L CA -0.084 54.925 54.840 0.282 0.000 0.866 173 L CB -0.001 42.189 42.059 0.218 0.000 1.047 173 L HN 0.321 nan 8.230 nan 0.000 0.468 174 S N 1.272 117.147 115.700 0.291 0.000 2.461 174 S HA -0.366 4.104 4.470 -0.000 0.000 0.266 174 S C 1.780 176.491 174.600 0.185 0.000 1.138 174 S CA 2.134 60.465 58.200 0.217 0.000 1.146 174 S CB -0.323 62.964 63.200 0.144 0.000 1.042 174 S HN 0.584 nan 8.310 nan 0.000 0.448 175 A N -0.934 121.989 122.820 0.171 0.000 2.307 175 A HA 0.456 4.776 4.320 -0.000 0.000 0.218 175 A C 0.928 178.388 177.584 -0.206 0.000 1.228 175 A CA 0.029 52.027 52.037 -0.064 0.000 0.857 175 A CB -0.273 18.566 19.000 -0.269 0.000 0.897 175 A HN 0.473 nan 8.150 nan 0.000 0.495 176 F N -1.042 118.949 119.950 0.068 0.000 2.746 176 F HA 0.370 4.897 4.527 -0.000 0.000 0.313 176 F C 0.507 176.341 175.800 0.056 0.000 1.095 176 F CA -0.656 57.380 58.000 0.061 0.000 1.224 176 F CB -0.014 39.026 39.000 0.065 0.000 1.060 176 F HN -0.057 nan 8.300 nan 0.000 0.584 177 L N 1.983 123.368 121.223 0.270 0.000 2.397 177 L HA 0.344 4.684 4.340 -0.000 0.000 0.271 177 L C 0.415 177.334 176.870 0.082 0.000 1.148 177 L CA -0.065 54.874 54.840 0.165 0.000 0.825 177 L CB 0.729 42.907 42.059 0.197 0.000 1.117 177 L HN 0.033 nan 8.230 nan 0.000 0.456 178 R N 1.462 121.972 120.500 0.018 0.000 2.787 178 R HA 0.680 5.020 4.340 -0.000 0.000 0.271 178 R C -0.541 175.735 176.300 -0.040 0.000 0.993 178 R CA -0.890 55.202 56.100 -0.015 0.000 0.993 178 R CB 1.798 32.071 30.300 -0.044 0.000 1.155 178 R HN 0.703 nan 8.270 nan 0.000 0.486 179 A N 0.795 123.594 122.820 -0.035 0.000 2.388 179 A HA 0.562 4.882 4.320 -0.000 0.000 0.257 179 A C 0.832 178.365 177.584 -0.085 0.000 1.095 179 A CA 0.705 52.712 52.037 -0.049 0.000 0.791 179 A CB 0.127 19.108 19.000 -0.032 0.000 1.029 179 A HN 0.870 nan 8.150 nan 0.000 0.489 180 G N 1.042 109.777 108.800 -0.108 0.000 2.536 180 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.277 180 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.277 180 G C 0.081 174.857 174.900 -0.206 0.000 1.155 180 G CA 0.302 45.322 45.100 -0.133 0.000 0.960 180 G HN 0.977 nan 8.290 nan 0.000 0.544 181 E N 2.334 122.419 120.200 -0.191 0.000 2.265 181 E HA 0.255 4.605 4.350 -0.000 0.000 0.272 181 E C -0.082 176.325 176.600 -0.322 0.000 1.067 181 E CA 0.025 56.276 56.400 -0.248 0.000 0.900 181 E CB 0.111 29.713 29.700 -0.164 0.000 1.017 181 E HN 0.368 nan 8.360 nan 0.000 0.431 182 N N 2.791 121.143 118.700 -0.580 0.000 2.328 182 N HA 0.396 5.136 4.740 -0.000 0.000 0.299 182 N C -0.789 174.438 175.510 -0.472 0.000 1.179 182 N CA -0.629 52.059 53.050 -0.604 0.000 0.793 182 N CB 2.182 40.085 38.487 -0.973 0.000 1.366 182 N HN 0.285 nan 8.380 nan 0.000 0.493 183 R N 1.540 121.945 120.500 -0.159 0.000 2.532 183 R HA 0.444 4.784 4.340 -0.000 0.000 0.297 183 R C -1.176 175.203 176.300 0.133 0.000 0.984 183 R CA -0.508 55.599 56.100 0.012 0.000 0.884 183 R CB 1.085 31.352 30.300 -0.055 0.000 1.182 183 R HN 0.489 nan 8.270 nan 0.000 0.442 184 L N 2.991 124.349 121.223 0.225 0.000 2.307 184 L HA 0.640 4.980 4.340 -0.000 0.000 0.282 184 L C -0.092 176.868 176.870 0.150 0.000 1.051 184 L CA -0.699 54.264 54.840 0.205 0.000 0.804 184 L CB 1.808 43.993 42.059 0.211 0.000 1.197 184 L HN 0.676 nan 8.230 nan 0.000 0.431 185 A N 3.679 126.593 122.820 0.156 0.000 2.375 185 A HA 0.669 4.989 4.320 -0.000 0.000 0.291 185 A C -0.882 177.025 177.584 0.539 0.000 1.160 185 A CA -0.441 51.629 52.037 0.055 0.000 0.747 185 A CB 1.239 19.672 19.000 -0.946 0.000 1.170 185 A HN 0.380 nan 8.150 nan 0.000 0.458 186 V N 3.532 123.927 119.914 0.803 0.000 2.347 186 V HA 0.451 4.571 4.120 -0.000 0.000 0.280 186 V C 0.132 176.716 176.094 0.818 0.000 1.021 186 V CA -0.243 62.505 62.300 0.746 0.000 0.847 186 V CB 1.203 33.308 31.823 0.471 0.000 0.990 186 V HN 0.944 nan 8.190 nan 0.000 0.444 187 M N 6.439 126.524 119.600 0.809 0.000 2.061 187 M HA 0.555 5.035 4.480 -0.000 0.000 0.346 187 M C -1.285 175.249 176.300 0.390 0.000 1.112 187 M CA -0.319 55.272 55.300 0.485 0.000 1.021 187 M CB 1.137 34.066 32.600 0.548 0.000 1.530 187 M HN 0.455 nan 8.290 nan 0.000 0.437 188 V N 6.765 126.867 119.914 0.314 0.000 2.439 188 V HA 0.417 4.537 4.120 -0.000 0.000 0.282 188 V C 0.032 176.278 176.094 0.253 0.000 1.039 188 V CA -0.744 61.741 62.300 0.307 0.000 0.913 188 V CB 1.183 33.226 31.823 0.368 0.000 0.983 188 V HN 0.791 nan 8.190 nan 0.000 0.460 189 L N 3.748 125.057 121.223 0.143 0.000 2.334 189 L HA 0.627 4.967 4.340 -0.000 0.000 0.275 189 L C 1.284 178.131 176.870 -0.038 0.000 1.036 189 L CA -0.728 54.122 54.840 0.015 0.000 0.807 189 L CB 1.317 43.267 42.059 -0.183 0.000 1.231 189 L HN 0.539 nan 8.230 nan 0.000 0.438 190 R N 1.638 122.024 120.500 -0.191 0.000 2.055 190 R HA 0.024 4.364 4.340 -0.000 0.000 0.228 190 R C -0.283 175.676 176.300 -0.567 0.000 1.143 190 R CA 1.410 57.138 56.100 -0.620 0.000 0.945 190 R CB 0.152 29.799 30.300 -1.089 0.000 0.841 190 R HN 0.613 nan 8.270 nan 0.000 0.429 191 W N 0.548 121.898 121.300 0.084 0.000 2.496 191 W HA 0.328 4.988 4.660 -0.000 0.000 0.327 191 W C -0.062 176.567 176.519 0.183 0.000 1.086 191 W CA -0.847 56.560 57.345 0.102 0.000 1.222 191 W CB 1.463 30.989 29.460 0.109 0.000 1.304 191 W HN 0.046 nan 8.180 nan 0.000 0.547 192 S N -0.902 115.085 115.700 0.478 0.000 2.688 192 S HA 0.217 4.687 4.470 -0.000 0.000 0.275 192 S C 0.149 175.000 174.600 0.420 0.000 1.175 192 S CA -0.545 57.948 58.200 0.488 0.000 0.818 192 S CB 1.297 64.748 63.200 0.419 0.000 1.157 192 S HN 0.620 nan 8.310 nan 0.000 0.482 193 D N 0.557 121.206 120.400 0.415 0.000 2.218 193 D HA 0.040 4.680 4.640 -0.000 0.000 0.204 193 D C 1.816 178.417 176.300 0.501 0.000 0.976 193 D CA 1.265 55.546 54.000 0.468 0.000 0.853 193 D CB -0.799 40.148 40.800 0.246 0.000 0.939 193 D HN 0.699 nan 8.370 nan 0.000 0.481 194 G N 0.053 109.067 108.800 0.356 0.000 2.462 194 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.220 194 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.220 194 G C 1.726 176.801 174.900 0.292 0.000 1.121 194 G CA 0.840 46.121 45.100 0.303 0.000 0.758 194 G HN 0.324 nan 8.290 nan 0.000 0.559 195 S N -0.143 115.717 115.700 0.266 0.000 2.399 195 S HA -0.103 4.367 4.470 -0.000 0.000 0.231 195 S C 1.901 176.586 174.600 0.142 0.000 1.022 195 S CA 0.764 59.082 58.200 0.197 0.000 0.983 195 S CB -0.400 62.910 63.200 0.184 0.000 0.803 195 S HN 0.566 nan 8.310 nan 0.000 0.480 196 Y N 1.020 121.422 120.300 0.171 0.000 2.483 196 Y HA 0.072 4.622 4.550 -0.000 0.000 0.291 196 Y C 1.502 177.498 175.900 0.160 0.000 1.143 196 Y CA 0.606 58.737 58.100 0.051 0.000 1.289 196 Y CB -0.166 38.203 38.460 -0.151 0.000 0.983 196 Y HN 0.194 nan 8.280 nan 0.000 0.556 197 L N -0.206 121.200 121.223 0.305 0.000 2.769 197 L HA 0.149 4.489 4.340 -0.000 0.000 0.240 197 L C 0.037 177.040 176.870 0.222 0.000 1.163 197 L CA 0.346 55.322 54.840 0.228 0.000 0.962 197 L CB 0.123 42.314 42.059 0.221 0.000 1.258 197 L HN 0.157 nan 8.230 nan 0.000 0.513 198 E N -0.300 120.046 120.200 0.244 0.000 3.646 198 E HA 0.041 4.391 4.350 -0.000 0.000 0.211 198 E C -0.452 176.254 176.600 0.176 0.000 1.034 198 E CA -0.071 56.457 56.400 0.213 0.000 1.341 198 E CB 0.528 30.347 29.700 0.199 0.000 1.202 198 E HN 0.030 nan 8.360 nan 0.000 0.447 199 D N 1.345 121.813 120.400 0.112 0.000 2.519 199 D HA 0.014 4.654 4.640 -0.000 0.000 0.238 199 D C -0.173 176.118 176.300 -0.015 0.000 1.192 199 D CA -0.003 53.950 54.000 -0.078 0.000 0.835 199 D CB 0.088 40.602 40.800 -0.476 0.000 0.975 199 D HN 0.065 nan 8.370 nan 0.000 0.490 200 Q N 0.362 120.244 119.800 0.137 0.000 2.421 200 Q HA 0.126 4.466 4.340 -0.000 0.000 0.255 200 Q C -0.087 176.022 176.000 0.181 0.000 1.013 200 Q CA 0.036 55.985 55.803 0.244 0.000 0.895 200 Q CB 0.544 29.569 28.738 0.479 0.000 1.271 200 Q HN 0.042 nan 8.270 nan 0.000 0.460 201 D N 2.706 123.242 120.400 0.228 0.000 2.441 201 D HA 0.195 4.835 4.640 -0.000 0.000 0.243 201 D C -0.816 175.635 176.300 0.251 0.000 1.257 201 D CA 0.155 54.255 54.000 0.167 0.000 1.027 201 D CB -0.401 40.520 40.800 0.200 0.000 1.084 201 D HN 0.485 nan 8.370 nan 0.000 0.514 202 M N 0.430 120.128 119.600 0.163 0.000 3.084 202 M HA 0.403 4.883 4.480 -0.000 0.000 0.273 202 M C -1.264 175.139 176.300 0.171 0.000 1.242 202 M CA -1.208 54.157 55.300 0.108 0.000 0.819 202 M CB 1.062 33.655 32.600 -0.012 0.000 1.625 202 M HN -0.076 nan 8.290 nan 0.000 0.493 203 W N 1.936 123.332 121.300 0.160 0.000 2.210 203 W HA 0.350 5.010 4.660 -0.000 0.000 0.330 203 W C 0.189 176.721 176.519 0.021 0.000 1.334 203 W CA -0.106 57.314 57.345 0.124 0.000 1.227 203 W CB 0.442 29.920 29.460 0.030 0.000 1.178 203 W HN 0.264 nan 8.180 nan 0.000 0.560 204 R N 4.829 125.499 120.500 0.283 0.000 2.205 204 R HA 0.394 4.734 4.340 -0.000 0.000 0.342 204 R C -0.154 176.171 176.300 0.042 0.000 1.058 204 R CA -0.181 56.016 56.100 0.163 0.000 0.904 204 R CB 0.099 30.547 30.300 0.246 0.000 1.089 204 R HN 0.564 nan 8.270 nan 0.000 0.471 205 M N 0.213 119.735 119.600 -0.130 0.000 2.792 205 M HA 0.527 5.007 4.480 -0.000 0.000 0.290 205 M C -0.119 175.867 176.300 -0.523 0.000 1.155 205 M CA -0.748 54.357 55.300 -0.326 0.000 0.781 205 M CB 2.223 34.621 32.600 -0.337 0.000 1.741 205 M HN 0.626 nan 8.290 nan 0.000 0.473 206 S N -1.260 114.000 115.700 -0.734 0.000 2.611 206 S HA 0.934 5.404 4.470 -0.000 0.000 0.268 206 S C -0.579 173.566 174.600 -0.758 0.000 1.156 206 S CA -0.272 57.398 58.200 -0.884 0.000 0.817 206 S CB 1.657 64.137 63.200 -1.199 0.000 1.122 206 S HN 1.421 nan 8.310 nan 0.000 0.466 207 G N 0.067 108.628 108.800 -0.398 0.000 2.362 207 G HA2 0.129 4.089 3.960 -0.000 0.000 0.517 207 G HA3 0.129 4.089 3.960 -0.000 0.000 0.517 207 G C -1.401 173.487 174.900 -0.021 0.000 1.256 207 G CA -0.576 44.548 45.100 0.040 0.000 1.027 207 G HN 1.179 nan 8.290 nan 0.000 0.491 208 I N 2.067 122.502 120.570 -0.226 0.000 2.316 208 I HA 0.290 4.460 4.170 -0.000 0.000 0.286 208 I C 1.131 177.117 176.117 -0.219 0.000 1.107 208 I CA -0.284 60.781 61.300 -0.392 0.000 1.219 208 I CB -0.129 37.415 38.000 -0.759 0.000 1.455 208 I HN 0.518 nan 8.210 nan 0.000 0.498 209 F N 4.100 123.915 119.950 -0.226 0.000 2.765 209 F HA 0.411 4.938 4.527 -0.000 0.000 0.302 209 F C 0.698 176.435 175.800 -0.105 0.000 1.111 209 F CA -0.460 57.442 58.000 -0.164 0.000 1.359 209 F CB 0.083 38.985 39.000 -0.164 0.000 1.097 209 F HN 0.133 nan 8.300 nan 0.000 0.577 210 R N 0.562 120.655 120.500 -0.678 0.000 2.888 210 R HA 0.238 4.578 4.340 -0.000 0.000 0.264 210 R C -1.037 175.097 176.300 -0.277 0.000 1.045 210 R CA -1.150 54.704 56.100 -0.411 0.000 0.962 210 R CB 0.500 30.532 30.300 -0.445 0.000 1.210 210 R HN -0.031 nan 8.270 nan 0.000 0.479 211 D N 0.770 121.073 120.400 -0.162 0.000 2.563 211 D HA 0.071 4.711 4.640 -0.000 0.000 0.229 211 D C -0.307 175.898 176.300 -0.158 0.000 1.159 211 D CA 0.535 54.463 54.000 -0.120 0.000 0.869 211 D CB 0.373 41.139 40.800 -0.057 0.000 1.203 211 D HN 0.062 nan 8.370 nan 0.000 0.478 212 V N 1.172 121.004 119.914 -0.137 0.000 2.487 212 V HA 0.601 4.721 4.120 -0.000 0.000 0.298 212 V C 0.006 176.014 176.094 -0.144 0.000 1.028 212 V CA -0.518 61.658 62.300 -0.208 0.000 0.860 212 V CB 1.796 33.518 31.823 -0.168 0.000 0.991 212 V HN 0.572 nan 8.190 nan 0.000 0.427 213 S N 4.199 119.777 115.700 -0.205 0.000 2.651 213 S HA 0.802 5.272 4.470 -0.000 0.000 0.279 213 S C -1.183 173.368 174.600 -0.081 0.000 1.148 213 S CA -0.716 57.426 58.200 -0.097 0.000 0.837 213 S CB 2.029 65.199 63.200 -0.050 0.000 1.138 213 S HN 0.522 nan 8.310 nan 0.000 0.478 214 L N 1.887 123.132 121.223 0.036 0.000 2.386 214 L HA 0.689 5.029 4.340 -0.000 0.000 0.271 214 L C -1.515 175.464 176.870 0.181 0.000 0.993 214 L CA -0.751 54.175 54.840 0.142 0.000 0.819 214 L CB 1.811 44.056 42.059 0.309 0.000 1.294 214 L HN 0.504 nan 8.230 nan 0.000 0.414 215 L N 2.297 123.578 121.223 0.097 0.000 2.410 215 L HA 0.503 4.843 4.340 -0.000 0.000 0.270 215 L C -1.091 175.665 176.870 -0.191 0.000 0.983 215 L CA -0.264 54.560 54.840 -0.027 0.000 0.822 215 L CB 1.731 43.785 42.059 -0.008 0.000 1.285 215 L HN 0.495 nan 8.230 nan 0.000 0.409 216 H N 3.904 122.634 119.070 -0.567 0.000 2.541 216 H HA 0.576 5.132 4.556 -0.000 0.000 0.316 216 H C -1.181 173.855 175.328 -0.487 0.000 1.043 216 H CA -0.187 55.367 56.048 -0.822 0.000 1.232 216 H CB 0.945 29.622 29.762 -1.808 0.000 1.406 216 H HN 0.624 nan 8.280 nan 0.000 0.469 217 K N 5.452 125.364 120.400 -0.813 0.000 2.385 217 K HA 0.424 4.744 4.320 -0.000 0.000 0.248 217 K C -2.720 173.514 176.600 -0.609 0.000 0.955 217 K CA -2.449 53.489 56.287 -0.581 0.000 0.816 217 K CB 1.775 34.047 32.500 -0.380 0.000 1.250 217 K HN 0.428 nan 8.250 nan 0.000 0.434 218 P HA -0.005 nan 4.420 nan 0.000 0.271 218 P C 0.194 177.364 177.300 -0.216 0.000 1.233 218 P CA -0.131 62.813 63.100 -0.260 0.000 0.789 218 P CB 0.484 32.086 31.700 -0.163 0.000 0.951 219 T N -2.604 111.861 114.554 -0.147 0.000 2.867 219 T HA -0.043 4.307 4.350 -0.000 0.000 0.268 219 T C 0.672 175.303 174.700 -0.115 0.000 1.057 219 T CA 1.269 63.301 62.100 -0.114 0.000 1.136 219 T CB -0.808 68.017 68.868 -0.071 0.000 0.874 219 T HN 0.318 nan 8.240 nan 0.000 0.466 220 T N 3.404 117.889 114.554 -0.115 0.000 2.853 220 T HA 0.437 4.787 4.350 -0.000 0.000 0.317 220 T C -0.280 174.334 174.700 -0.143 0.000 1.059 220 T CA -0.794 61.229 62.100 -0.128 0.000 0.954 220 T CB 0.670 69.473 68.868 -0.108 0.000 0.994 220 T HN 0.583 nan 8.240 nan 0.000 0.479 221 Q N 2.510 122.209 119.800 -0.168 0.000 2.605 221 Q HA 0.626 4.966 4.340 -0.000 0.000 0.296 221 Q C -0.959 174.931 176.000 -0.183 0.000 1.056 221 Q CA -1.228 54.461 55.803 -0.191 0.000 0.778 221 Q CB 1.494 30.081 28.738 -0.251 0.000 1.497 221 Q HN 0.413 nan 8.270 nan 0.000 0.443 222 I N 2.559 122.996 120.570 -0.222 0.000 2.436 222 I HA -0.001 4.169 4.170 -0.000 0.000 0.289 222 I C 0.678 176.627 176.117 -0.281 0.000 1.083 222 I CA 0.055 61.242 61.300 -0.189 0.000 1.372 222 I CB 0.996 38.851 38.000 -0.243 0.000 1.408 222 I HN 0.830 nan 8.210 nan 0.000 0.516 223 S N 2.841 118.495 115.700 -0.076 0.000 2.502 223 S HA 0.186 4.656 4.470 -0.000 0.000 0.215 223 S C 0.177 174.966 174.600 0.315 0.000 1.009 223 S CA -0.255 57.961 58.200 0.025 0.000 0.908 223 S CB 0.317 63.526 63.200 0.015 0.000 0.801 223 S HN 0.713 nan 8.310 nan 0.000 0.505 224 D N -0.332 120.263 120.400 0.325 0.000 2.720 224 D HA 0.503 5.143 4.640 -0.000 0.000 0.239 224 D C -1.833 174.676 176.300 0.349 0.000 1.218 224 D CA -0.734 53.503 54.000 0.396 0.000 0.748 224 D CB 1.473 42.396 40.800 0.205 0.000 1.387 224 D HN 0.219 nan 8.370 nan 0.000 0.438 225 F N -0.381 119.618 119.950 0.082 0.000 2.665 225 F HA 0.670 5.197 4.527 -0.000 0.000 0.308 225 F C -1.638 174.215 175.800 0.088 0.000 1.112 225 F CA -0.737 57.234 58.000 -0.049 0.000 0.972 225 F CB 1.314 40.342 39.000 0.047 0.000 1.295 225 F HN 0.303 nan 8.300 nan 0.000 0.440 226 H N 1.525 120.589 119.070 -0.009 0.000 2.768 226 H HA 0.783 5.339 4.556 -0.000 0.000 0.371 226 H C -1.426 173.888 175.328 -0.023 0.000 1.151 226 H CA -1.539 54.438 56.048 -0.118 0.000 1.165 226 H CB 2.748 32.463 29.762 -0.078 0.000 1.722 226 H HN 0.651 nan 8.280 nan 0.000 0.543 227 V N 1.327 121.286 119.914 0.075 0.000 2.715 227 V HA 0.808 4.928 4.120 -0.000 0.000 0.310 227 V C -0.712 175.360 176.094 -0.036 0.000 1.054 227 V CA -0.440 61.872 62.300 0.019 0.000 0.928 227 V CB 1.684 33.498 31.823 -0.015 0.000 1.007 227 V HN 0.965 nan 8.190 nan 0.000 0.437 228 A N 2.426 125.206 122.820 -0.067 0.000 2.520 228 A HA 0.841 5.161 4.320 -0.000 0.000 0.298 228 A C -0.486 177.011 177.584 -0.145 0.000 1.051 228 A CA -0.337 51.649 52.037 -0.085 0.000 0.690 228 A CB 2.082 21.056 19.000 -0.044 0.000 1.281 228 A HN 0.927 nan 8.150 nan 0.000 0.402 229 T N 0.025 114.486 114.554 -0.155 0.000 2.792 229 T HA 0.779 5.129 4.350 -0.000 0.000 0.280 229 T C -0.394 174.154 174.700 -0.253 0.000 0.990 229 T CA -0.665 61.279 62.100 -0.260 0.000 0.960 229 T CB 1.153 69.832 68.868 -0.316 0.000 0.939 229 T HN 0.694 nan 8.240 nan 0.000 0.439 230 R N 1.782 122.045 120.500 -0.396 0.000 2.711 230 R HA 0.773 5.113 4.340 -0.000 0.000 0.284 230 R C -1.180 174.752 176.300 -0.613 0.000 0.968 230 R CA -0.730 55.196 56.100 -0.290 0.000 0.924 230 R CB 1.558 31.786 30.300 -0.121 0.000 1.162 230 R HN 0.561 nan 8.270 nan 0.000 0.465 231 F N 0.230 120.186 119.950 0.011 0.000 2.631 231 F HA 0.387 4.914 4.527 -0.000 0.000 0.328 231 F C 0.418 176.110 175.800 -0.180 0.000 1.067 231 F CA -1.189 56.767 58.000 -0.073 0.000 0.969 231 F CB 0.933 39.826 39.000 -0.178 0.000 1.332 231 F HN 0.510 nan 8.300 nan 0.000 0.490 232 N N -0.024 118.679 118.700 0.003 0.000 2.448 232 N HA 0.087 4.827 4.740 -0.000 0.000 0.274 232 N C 0.586 175.953 175.510 -0.238 0.000 1.239 232 N CA -0.175 52.825 53.050 -0.084 0.000 0.982 232 N CB 0.082 38.542 38.487 -0.045 0.000 1.199 232 N HN 0.706 nan 8.380 nan 0.000 0.576 233 D N -0.625 119.675 120.400 -0.166 0.000 2.170 233 D HA -0.288 4.352 4.640 -0.000 0.000 0.193 233 D C 0.388 176.552 176.300 -0.226 0.000 1.004 233 D CA 2.071 55.968 54.000 -0.171 0.000 0.860 233 D CB -0.510 40.251 40.800 -0.065 0.000 0.931 233 D HN 0.761 nan 8.370 nan 0.000 0.448 234 D N -1.822 118.491 120.400 -0.145 0.000 2.431 234 D HA 0.010 4.650 4.640 -0.000 0.000 0.213 234 D C 0.395 176.801 176.300 0.176 0.000 1.130 234 D CA -0.708 53.311 54.000 0.032 0.000 0.834 234 D CB -1.008 39.838 40.800 0.076 0.000 0.985 234 D HN 0.287 nan 8.370 nan 0.000 0.504 235 F N 0.276 120.285 119.950 0.099 0.000 2.953 235 F HA -0.301 4.226 4.527 -0.000 0.000 0.292 235 F C 1.684 177.569 175.800 0.141 0.000 0.747 235 F CA 0.773 58.855 58.000 0.136 0.000 1.222 235 F CB -2.389 36.597 39.000 -0.023 0.000 1.457 235 F HN 0.198 nan 8.300 nan 0.000 0.383 236 S N -0.728 115.083 115.700 0.186 0.000 2.527 236 S HA 0.161 4.631 4.470 -0.000 0.000 0.222 236 S C 0.655 175.307 174.600 0.086 0.000 0.985 236 S CA 0.526 58.800 58.200 0.124 0.000 0.921 236 S CB 0.407 63.653 63.200 0.077 0.000 0.772 236 S HN 0.526 nan 8.310 nan 0.000 0.529 237 R N -0.151 120.408 120.500 0.098 0.000 2.584 237 R HA 0.687 5.027 4.340 -0.000 0.000 0.276 237 R C -1.603 174.711 176.300 0.022 0.000 1.046 237 R CA -0.104 56.015 56.100 0.032 0.000 0.906 237 R CB 1.803 32.105 30.300 0.004 0.000 1.215 237 R HN 0.264 nan 8.270 nan 0.000 0.449 238 A N 2.468 125.242 122.820 -0.077 0.000 2.479 238 A HA 0.781 5.101 4.320 -0.000 0.000 0.296 238 A C -1.491 176.003 177.584 -0.149 0.000 1.121 238 A CA -0.638 51.275 52.037 -0.207 0.000 0.743 238 A CB 2.191 21.028 19.000 -0.272 0.000 1.323 238 A HN 0.368 nan 8.150 nan 0.000 0.415 239 V N 1.215 121.022 119.914 -0.178 0.000 2.525 239 V HA 0.430 4.550 4.120 -0.000 0.000 0.299 239 V C -0.938 175.107 176.094 -0.083 0.000 1.034 239 V CA -0.366 61.874 62.300 -0.100 0.000 0.863 239 V CB 1.326 33.087 31.823 -0.102 0.000 0.999 239 V HN 0.848 nan 8.190 nan 0.000 0.423 240 L N 4.671 125.880 121.223 -0.023 0.000 2.292 240 L HA 0.659 4.999 4.340 -0.000 0.000 0.284 240 L C -0.093 176.741 176.870 -0.060 0.000 1.065 240 L CA 0.444 55.248 54.840 -0.059 0.000 0.806 240 L CB 1.258 43.304 42.059 -0.021 0.000 1.175 240 L HN 0.846 nan 8.230 nan 0.000 0.431 241 E N 4.736 124.895 120.200 -0.068 0.000 2.218 241 E HA 0.730 5.080 4.350 -0.000 0.000 0.263 241 E C -1.746 174.843 176.600 -0.018 0.000 0.879 241 E CA -0.839 55.536 56.400 -0.042 0.000 0.762 241 E CB 1.548 31.222 29.700 -0.043 0.000 1.166 241 E HN 0.848 nan 8.360 nan 0.000 0.415 242 A N 4.360 127.176 122.820 -0.006 0.000 2.331 242 A HA 0.475 4.795 4.320 -0.000 0.000 0.320 242 A C -0.852 176.736 177.584 0.006 0.000 1.138 242 A CA -0.711 51.345 52.037 0.031 0.000 0.790 242 A CB 1.352 20.383 19.000 0.051 0.000 1.206 242 A HN 0.761 nan 8.150 nan 0.000 0.470 243 E N 2.221 122.426 120.200 0.008 0.000 2.176 243 E HA 0.604 4.954 4.350 -0.000 0.000 0.267 243 E C -1.648 174.906 176.600 -0.078 0.000 0.893 243 E CA -0.518 55.844 56.400 -0.063 0.000 0.761 243 E CB 1.663 31.303 29.700 -0.101 0.000 1.133 243 E HN 0.388 nan 8.360 nan 0.000 0.409 244 V N 4.126 124.008 119.914 -0.053 0.000 2.604 244 V HA 0.374 4.494 4.120 -0.000 0.000 0.305 244 V C -0.523 175.615 176.094 0.075 0.000 1.043 244 V CA -0.787 61.522 62.300 0.015 0.000 0.888 244 V CB 1.682 33.493 31.823 -0.019 0.000 0.995 244 V HN 0.753 nan 8.190 nan 0.000 0.429 245 Q N 4.012 123.872 119.800 0.101 0.000 2.377 245 Q HA 0.843 5.183 4.340 -0.000 0.000 0.271 245 Q C -0.879 175.189 176.000 0.113 0.000 1.077 245 Q CA -0.881 54.995 55.803 0.121 0.000 0.820 245 Q CB 2.850 31.591 28.738 0.006 0.000 1.347 245 Q HN 0.842 nan 8.270 nan 0.000 0.444 246 M N -0.990 118.614 119.600 0.008 0.000 2.662 246 M HA 0.768 5.248 4.480 -0.000 0.000 0.310 246 M C -1.341 174.853 176.300 -0.176 0.000 1.204 246 M CA -0.463 54.743 55.300 -0.156 0.000 0.891 246 M CB 2.070 34.394 32.600 -0.460 0.000 1.732 246 M HN 0.556 nan 8.290 nan 0.000 0.467 247 C N 1.573 120.773 119.300 -0.166 0.000 2.561 247 C HA 1.016 5.476 4.460 -0.000 0.000 0.319 247 C C 0.657 175.551 174.990 -0.161 0.000 1.198 247 C CA 0.928 59.865 59.018 -0.135 0.000 1.665 247 C CB 0.876 28.557 27.740 -0.098 0.000 2.258 247 C HN 1.322 nan 8.230 nan 0.000 0.493 248 G N 3.466 112.185 108.800 -0.136 0.000 2.342 248 G HA2 0.081 4.041 3.960 -0.000 0.000 0.220 248 G HA3 0.081 4.041 3.960 -0.000 0.000 0.220 248 G C -1.173 173.645 174.900 -0.136 0.000 1.243 248 G CA -0.118 44.904 45.100 -0.130 0.000 1.083 248 G HN 0.902 nan 8.290 nan 0.000 0.500 249 E N 0.605 120.729 120.200 -0.128 0.000 2.001 249 E HA 0.624 4.974 4.350 -0.000 0.000 0.279 249 E C 0.143 176.639 176.600 -0.173 0.000 1.045 249 E CA -0.782 55.546 56.400 -0.119 0.000 0.833 249 E CB 1.096 30.753 29.700 -0.071 0.000 1.077 249 E HN 0.663 nan 8.360 nan 0.000 0.397 250 L N 4.428 125.538 121.223 -0.188 0.000 2.418 250 L HA 0.277 4.617 4.340 -0.000 0.000 0.274 250 L C -0.035 176.715 176.870 -0.200 0.000 1.135 250 L CA 0.024 54.723 54.840 -0.235 0.000 0.870 250 L CB 0.207 42.144 42.059 -0.205 0.000 1.154 250 L HN 0.491 nan 8.230 nan 0.000 0.462 251 R N 2.775 123.096 120.500 -0.298 0.000 2.725 251 R HA 0.164 4.504 4.340 -0.000 0.000 0.277 251 R C 0.098 176.164 176.300 -0.390 0.000 0.987 251 R CA -0.656 55.234 56.100 -0.349 0.000 0.901 251 R CB 1.649 31.558 30.300 -0.652 0.000 1.207 251 R HN 0.641 nan 8.270 nan 0.000 0.463 252 D N 1.268 121.555 120.400 -0.188 0.000 2.378 252 D HA -0.160 4.480 4.640 -0.000 0.000 0.222 252 D C 1.023 177.297 176.300 -0.043 0.000 0.980 252 D CA 1.198 55.157 54.000 -0.069 0.000 0.907 252 D CB -0.011 40.803 40.800 0.024 0.000 0.899 252 D HN 0.678 nan 8.370 nan 0.000 0.527 253 Y N -0.149 120.161 120.300 0.016 0.000 2.466 253 Y HA 0.355 4.905 4.550 -0.000 0.000 0.272 253 Y C 1.027 176.932 175.900 0.008 0.000 1.169 253 Y CA -0.874 57.235 58.100 0.015 0.000 1.285 253 Y CB -0.475 37.995 38.460 0.015 0.000 1.078 253 Y HN -0.230 nan 8.280 nan 0.000 0.523 254 L N 2.894 123.926 121.223 -0.317 0.000 2.461 254 L HA 0.282 4.622 4.340 -0.000 0.000 0.272 254 L C 0.256 177.074 176.870 -0.086 0.000 1.197 254 L CA 0.075 54.822 54.840 -0.155 0.000 0.836 254 L CB 0.433 42.430 42.059 -0.103 0.000 1.105 254 L HN 0.236 nan 8.230 nan 0.000 0.477 255 R N 1.933 122.289 120.500 -0.240 0.000 2.799 255 R HA 0.736 5.076 4.340 -0.000 0.000 0.270 255 R C -1.532 174.445 176.300 -0.538 0.000 1.010 255 R CA -0.823 55.021 56.100 -0.428 0.000 0.916 255 R CB 2.304 32.276 30.300 -0.548 0.000 1.228 255 R HN 0.286 nan 8.270 nan 0.000 0.469 256 V N 0.757 120.420 119.914 -0.418 0.000 2.709 256 V HA 0.522 4.642 4.120 -0.000 0.000 0.308 256 V C -0.535 175.505 176.094 -0.090 0.000 1.062 256 V CA -0.571 61.565 62.300 -0.274 0.000 0.901 256 V CB 2.432 34.021 31.823 -0.389 0.000 1.003 256 V HN 0.770 nan 8.190 nan 0.000 0.425 257 T N 3.511 118.098 114.554 0.055 0.000 2.861 257 T HA 0.689 5.039 4.350 -0.000 0.000 0.287 257 T C -0.908 173.802 174.700 0.016 0.000 1.003 257 T CA -0.463 61.683 62.100 0.076 0.000 0.977 257 T CB 1.905 70.875 68.868 0.170 0.000 0.996 257 T HN 0.362 nan 8.240 nan 0.000 0.448 258 V N 3.212 123.121 119.914 -0.010 0.000 2.531 258 V HA 0.704 4.824 4.120 -0.000 0.000 0.301 258 V C -0.423 175.661 176.094 -0.016 0.000 1.034 258 V CA -0.813 61.479 62.300 -0.014 0.000 0.865 258 V CB 1.899 33.704 31.823 -0.029 0.000 0.995 258 V HN 1.069 nan 8.190 nan 0.000 0.424 259 S N 5.097 120.806 115.700 0.016 0.000 2.536 259 S HA 0.864 5.334 4.470 -0.000 0.000 0.287 259 S C -1.091 173.491 174.600 -0.030 0.000 1.101 259 S CA -0.754 57.410 58.200 -0.061 0.000 0.950 259 S CB 2.369 65.564 63.200 -0.009 0.000 1.056 259 S HN 0.537 nan 8.310 nan 0.000 0.481 260 L N 2.078 123.177 121.223 -0.207 0.000 2.356 260 L HA 0.779 5.119 4.340 -0.000 0.000 0.277 260 L C -2.032 174.717 176.870 -0.202 0.000 0.996 260 L CA -0.305 54.511 54.840 -0.041 0.000 0.822 260 L CB 0.842 42.897 42.059 -0.006 0.000 1.256 260 L HN 0.877 nan 8.230 nan 0.000 0.413 261 W N 3.196 124.597 121.300 0.170 0.000 2.736 261 W HA 0.569 5.229 4.660 -0.000 0.000 0.335 261 W C -0.520 176.114 176.519 0.193 0.000 1.059 261 W CA -0.536 56.899 57.345 0.149 0.000 1.226 261 W CB 1.587 31.087 29.460 0.067 0.000 1.416 261 W HN 0.460 nan 8.180 nan 0.000 0.505 262 Q N 2.477 122.495 119.800 0.364 0.000 2.626 262 Q HA 0.490 4.830 4.340 -0.000 0.000 0.239 262 Q C 0.766 176.833 176.000 0.113 0.000 1.101 262 Q CA 0.684 56.547 55.803 0.100 0.000 0.918 262 Q CB 0.202 28.939 28.738 -0.001 0.000 1.151 262 Q HN 0.747 nan 8.270 nan 0.000 0.531 263 G N 2.434 111.301 108.800 0.111 0.000 2.950 263 G HA2 -0.357 3.603 3.960 -0.000 0.000 0.299 263 G HA3 -0.357 3.603 3.960 -0.000 0.000 0.299 263 G C 0.694 175.657 174.900 0.105 0.000 1.310 263 G CA 0.332 45.470 45.100 0.063 0.000 0.994 263 G HN 0.515 nan 8.290 nan 0.000 0.575 264 E N 1.315 121.588 120.200 0.122 0.000 2.307 264 E HA 0.215 4.565 4.350 -0.000 0.000 0.195 264 E C 1.273 178.077 176.600 0.341 0.000 0.975 264 E CA 0.982 57.467 56.400 0.142 0.000 0.878 264 E CB -0.055 29.689 29.700 0.074 0.000 0.845 264 E HN 0.523 nan 8.360 nan 0.000 0.488 265 T N 1.626 116.358 114.554 0.298 0.000 2.869 265 T HA 0.154 4.504 4.350 -0.000 0.000 0.295 265 T C 0.221 175.038 174.700 0.195 0.000 0.987 265 T CA -0.236 62.005 62.100 0.234 0.000 1.109 265 T CB 1.420 70.354 68.868 0.110 0.000 0.932 265 T HN -0.051 nan 8.240 nan 0.000 0.518 266 Q N 2.818 122.522 119.800 -0.159 0.000 2.296 266 Q HA 0.298 4.638 4.340 -0.000 0.000 0.257 266 Q C 0.177 175.942 176.000 -0.391 0.000 0.942 266 Q CA -0.486 54.829 55.803 -0.812 0.000 0.939 266 Q CB 0.917 28.867 28.738 -1.312 0.000 1.198 266 Q HN 0.558 nan 8.270 nan 0.000 0.429 267 V N 2.710 122.431 119.914 -0.322 0.000 2.685 267 V HA 0.298 4.418 4.120 -0.000 0.000 0.244 267 V C 0.415 176.414 176.094 -0.159 0.000 1.054 267 V CA 1.138 63.357 62.300 -0.135 0.000 1.076 267 V CB 0.159 31.999 31.823 0.029 0.000 0.725 267 V HN 0.797 nan 8.190 nan 0.000 0.467 268 A N -1.353 121.332 122.820 -0.225 0.000 2.599 268 A HA 0.751 5.071 4.320 -0.000 0.000 0.294 268 A C -0.828 176.636 177.584 -0.200 0.000 1.055 268 A CA -0.130 51.803 52.037 -0.173 0.000 0.683 268 A CB 1.795 20.729 19.000 -0.110 0.000 1.278 268 A HN 0.008 nan 8.150 nan 0.000 0.412 269 S N -1.176 114.438 115.700 -0.144 0.000 2.556 269 S HA 0.870 5.340 4.470 -0.000 0.000 0.271 269 S C -0.521 174.035 174.600 -0.074 0.000 1.135 269 S CA 0.148 58.278 58.200 -0.116 0.000 0.858 269 S CB 1.947 65.074 63.200 -0.122 0.000 1.114 269 S HN 2.266 nan 8.310 nan 0.000 0.468 270 G N 1.338 110.105 108.800 -0.055 0.000 2.759 270 G HA2 0.590 4.550 3.960 -0.000 0.000 0.297 270 G HA3 0.590 4.550 3.960 -0.000 0.000 0.297 270 G C -1.485 173.396 174.900 -0.031 0.000 1.434 270 G CA -0.349 44.724 45.100 -0.045 0.000 0.980 270 G HN 0.646 nan 8.290 nan 0.000 0.531 271 T N 0.047 114.586 114.554 -0.026 0.000 2.876 271 T HA 0.885 5.235 4.350 -0.000 0.000 0.289 271 T C -0.161 174.508 174.700 -0.051 0.000 1.014 271 T CA 0.127 62.219 62.100 -0.013 0.000 0.986 271 T CB 1.770 70.665 68.868 0.045 0.000 1.021 271 T HN 1.654 nan 8.240 nan 0.000 0.458 272 A N 3.596 126.354 122.820 -0.103 0.000 2.566 272 A HA 0.901 5.221 4.320 -0.000 0.000 0.290 272 A C -3.220 174.231 177.584 -0.222 0.000 1.071 272 A CA -1.460 50.495 52.037 -0.136 0.000 0.658 272 A CB 1.249 20.168 19.000 -0.137 0.000 1.285 272 A HN 0.524 nan 8.150 nan 0.000 0.427 273 P HA 0.631 nan 4.420 nan 0.000 0.287 273 P C -0.712 176.474 177.300 -0.191 0.000 1.279 273 P CA -0.452 62.558 63.100 -0.151 0.000 0.867 273 P CB 0.488 32.162 31.700 -0.044 0.000 1.127 274 F N 0.771 120.672 119.950 -0.082 0.000 2.539 274 F HA 0.406 4.933 4.527 -0.000 0.000 0.340 274 F C 1.586 177.364 175.800 -0.037 0.000 1.185 274 F CA 1.889 59.852 58.000 -0.062 0.000 1.333 274 F CB -0.086 38.870 39.000 -0.074 0.000 1.152 274 F HN 0.600 nan 8.300 nan 0.000 0.602 275 G N 1.343 110.263 108.800 0.200 0.000 3.393 275 G HA2 0.350 4.310 3.960 -0.000 0.000 0.676 275 G HA3 0.350 4.310 3.960 -0.000 0.000 0.676 275 G C -0.433 174.512 174.900 0.076 0.000 1.224 275 G CA -0.793 44.380 45.100 0.121 0.000 1.109 275 G HN 1.052 nan 8.290 nan 0.000 0.519 276 G N 0.624 109.488 108.800 0.107 0.000 2.588 276 G HA2 0.675 4.635 3.960 -0.000 0.000 0.281 276 G HA3 0.675 4.635 3.960 -0.000 0.000 0.281 276 G C 0.164 175.099 174.900 0.059 0.000 1.236 276 G CA -0.395 44.760 45.100 0.090 0.000 0.969 276 G HN 0.843 nan 8.290 nan 0.000 0.504 277 E N -0.941 119.290 120.200 0.052 0.000 2.374 277 E HA 0.311 4.661 4.350 -0.000 0.000 0.260 277 E C -0.271 176.348 176.600 0.032 0.000 1.101 277 E CA -0.482 55.938 56.400 0.032 0.000 0.907 277 E CB 0.818 30.534 29.700 0.027 0.000 1.014 277 E HN 0.219 nan 8.360 nan 0.000 0.427 278 I N 2.477 123.054 120.570 0.013 0.000 2.683 278 I HA -0.081 4.089 4.170 -0.000 0.000 0.286 278 I C 1.221 177.342 176.117 0.007 0.000 1.175 278 I CA 0.608 61.908 61.300 -0.000 0.000 1.429 278 I CB 0.153 38.149 38.000 -0.007 0.000 1.371 278 I HN 0.622 nan 8.210 nan 0.000 0.569 279 I N 1.754 122.321 120.570 -0.006 0.000 3.883 279 I HA 0.315 4.485 4.170 -0.000 0.000 0.305 279 I C -0.258 175.856 176.117 -0.006 0.000 1.247 279 I CA 0.316 61.622 61.300 0.011 0.000 1.350 279 I CB 0.387 38.416 38.000 0.049 0.000 1.194 279 I HN 0.636 nan 8.210 nan 0.000 0.441 280 D N -0.013 120.371 120.400 -0.027 0.000 2.921 280 D HA 0.180 4.820 4.640 -0.000 0.000 0.329 280 D C 0.275 176.558 176.300 -0.029 0.000 1.293 280 D CA -0.455 53.531 54.000 -0.023 0.000 0.964 280 D CB 0.615 41.401 40.800 -0.023 0.000 1.435 280 D HN -0.156 nan 8.370 nan 0.000 0.548 281 E N -0.882 119.304 120.200 -0.024 0.000 2.267 281 E HA -0.052 4.298 4.350 -0.000 0.000 0.197 281 E C 1.450 178.031 176.600 -0.032 0.000 0.998 281 E CA 1.008 57.394 56.400 -0.023 0.000 0.830 281 E CB -0.051 29.638 29.700 -0.018 0.000 0.751 281 E HN 0.246 nan 8.360 nan 0.000 0.491 282 R N -0.499 119.974 120.500 -0.046 0.000 2.300 282 R HA 0.252 4.592 4.340 -0.000 0.000 0.199 282 R C 0.767 177.024 176.300 -0.070 0.000 0.920 282 R CA 0.659 56.726 56.100 -0.056 0.000 1.046 282 R CB 0.800 31.062 30.300 -0.064 0.000 0.984 282 R HN 0.206 nan 8.270 nan 0.000 0.493 283 G N -0.487 108.270 108.800 -0.072 0.000 2.295 283 G HA2 -0.061 3.899 3.960 -0.000 0.000 0.195 283 G HA3 -0.061 3.899 3.960 -0.000 0.000 0.195 283 G C -0.508 174.331 174.900 -0.101 0.000 1.269 283 G CA -0.651 44.405 45.100 -0.073 0.000 1.170 283 G HN 0.380 nan 8.290 nan 0.000 0.511 284 G N -1.827 106.908 108.800 -0.108 0.000 3.140 284 G HA2 0.650 4.610 3.960 -0.000 0.000 0.271 284 G HA3 0.650 4.610 3.960 -0.000 0.000 0.271 284 G C -1.536 173.238 174.900 -0.210 0.000 1.370 284 G CA -0.804 44.228 45.100 -0.112 0.000 1.014 284 G HN 0.711 nan 8.290 nan 0.000 0.541 285 Y N 0.687 120.999 120.300 0.020 0.000 2.404 285 Y HA 0.417 4.967 4.550 -0.000 0.000 0.344 285 Y C 1.410 177.334 175.900 0.039 0.000 0.995 285 Y CA 0.190 58.305 58.100 0.026 0.000 1.201 285 Y CB 1.864 40.346 38.460 0.036 0.000 1.151 285 Y HN 0.539 nan 8.280 nan 0.000 0.517 286 A N 1.894 124.794 122.820 0.133 0.000 2.016 286 A HA -0.118 4.202 4.320 -0.000 0.000 0.217 286 A C 1.242 178.905 177.584 0.132 0.000 1.162 286 A CA 1.271 53.368 52.037 0.100 0.000 0.662 286 A CB -0.238 18.779 19.000 0.029 0.000 0.812 286 A HN 0.793 nan 8.150 nan 0.000 0.450 287 D N -0.322 120.153 120.400 0.126 0.000 2.561 287 D HA 0.160 4.800 4.640 -0.000 0.000 0.232 287 D C 0.327 176.759 176.300 0.221 0.000 1.198 287 D CA -0.110 53.900 54.000 0.017 0.000 0.826 287 D CB -0.136 40.624 40.800 -0.067 0.000 0.992 287 D HN 0.430 nan 8.370 nan 0.000 0.490 288 R N -1.041 119.696 120.500 0.396 0.000 2.817 288 R HA 0.754 5.094 4.340 -0.000 0.000 0.268 288 R C -1.600 174.825 176.300 0.209 0.000 1.027 288 R CA -1.227 55.063 56.100 0.318 0.000 0.928 288 R CB 2.742 33.089 30.300 0.078 0.000 1.228 288 R HN -0.015 nan 8.270 nan 0.000 0.469 289 V N 0.164 120.076 119.914 -0.003 0.000 3.000 289 V HA 0.497 4.617 4.120 -0.000 0.000 0.300 289 V C -1.597 174.427 176.094 -0.118 0.000 1.251 289 V CA -0.246 61.975 62.300 -0.132 0.000 0.972 289 V CB 2.682 34.268 31.823 -0.396 0.000 1.065 289 V HN 0.831 nan 8.190 nan 0.000 0.431 290 T N 7.453 121.957 114.554 -0.084 0.000 2.792 290 T HA 0.727 5.077 4.350 -0.000 0.000 0.280 290 T C -0.713 173.946 174.700 -0.069 0.000 0.990 290 T CA -0.208 61.853 62.100 -0.065 0.000 0.960 290 T CB 1.168 70.016 68.868 -0.034 0.000 0.939 290 T HN 0.534 nan 8.240 nan 0.000 0.439 291 L N 3.061 124.244 121.223 -0.066 0.000 2.330 291 L HA 0.640 4.980 4.340 -0.000 0.000 0.271 291 L C 0.409 177.251 176.870 -0.046 0.000 1.013 291 L CA -0.736 54.067 54.840 -0.061 0.000 0.816 291 L CB 1.440 43.458 42.059 -0.068 0.000 1.287 291 L HN 0.372 nan 8.230 nan 0.000 0.435 292 R N 3.227 123.699 120.500 -0.045 0.000 2.435 292 R HA 0.608 4.948 4.340 -0.000 0.000 0.308 292 R C -1.529 174.744 176.300 -0.044 0.000 0.975 292 R CA -0.606 55.468 56.100 -0.043 0.000 0.867 292 R CB 1.328 31.604 30.300 -0.041 0.000 1.171 292 R HN 0.474 nan 8.270 nan 0.000 0.470 293 L N 2.827 124.025 121.223 -0.041 0.000 2.307 293 L HA 0.459 4.799 4.340 -0.000 0.000 0.284 293 L C -0.025 176.819 176.870 -0.043 0.000 1.023 293 L CA -1.086 53.728 54.840 -0.043 0.000 0.810 293 L CB 1.331 43.365 42.059 -0.041 0.000 1.231 293 L HN 0.425 nan 8.230 nan 0.000 0.423 294 N N 2.353 121.021 118.700 -0.053 0.000 2.479 294 N HA 0.445 5.185 4.740 -0.000 0.000 0.285 294 N C -0.864 174.599 175.510 -0.078 0.000 1.075 294 N CA -0.308 52.705 53.050 -0.061 0.000 0.967 294 N CB 2.767 41.221 38.487 -0.056 0.000 1.137 294 N HN 0.221 nan 8.380 nan 0.000 0.472 295 V N 1.860 121.710 119.914 -0.107 0.000 2.525 295 V HA 0.219 4.339 4.120 -0.000 0.000 0.299 295 V C -0.099 175.908 176.094 -0.145 0.000 1.034 295 V CA -0.843 61.359 62.300 -0.163 0.000 0.863 295 V CB 2.104 33.733 31.823 -0.323 0.000 0.999 295 V HN 0.510 nan 8.190 nan 0.000 0.423 296 E N 3.672 123.812 120.200 -0.099 0.000 2.231 296 E HA 0.332 4.682 4.350 -0.000 0.000 0.277 296 E C -0.154 176.415 176.600 -0.052 0.000 0.999 296 E CA -0.498 55.866 56.400 -0.060 0.000 0.827 296 E CB 0.845 30.525 29.700 -0.034 0.000 1.101 296 E HN 0.669 nan 8.360 nan 0.000 0.393 297 N N 1.667 120.356 118.700 -0.018 0.000 2.688 297 N HA -0.115 4.625 4.740 -0.000 0.000 0.258 297 N C -2.339 173.164 175.510 -0.011 0.000 1.016 297 N CA 0.375 53.431 53.050 0.009 0.000 0.747 297 N CB -1.172 37.325 38.487 0.018 0.000 0.895 297 N HN 0.369 nan 8.380 nan 0.000 0.543 298 P HA 0.096 nan 4.420 nan 0.000 0.270 298 P C -0.016 177.299 177.300 0.024 0.000 1.223 298 P CA 0.287 63.270 63.100 -0.194 0.000 0.785 298 P CB 0.820 32.152 31.700 -0.614 0.000 0.923 299 K N 1.537 122.042 120.400 0.176 0.000 2.234 299 K HA 0.379 4.699 4.320 -0.000 0.000 0.277 299 K C -0.068 176.698 176.600 0.277 0.000 1.038 299 K CA -0.507 55.891 56.287 0.185 0.000 0.888 299 K CB 0.435 33.020 32.500 0.141 0.000 1.091 299 K HN 0.386 nan 8.250 nan 0.000 0.467 300 L N 2.570 123.881 121.223 0.148 0.000 2.395 300 L HA 0.297 4.637 4.340 -0.000 0.000 0.269 300 L C -0.076 176.873 176.870 0.132 0.000 1.133 300 L CA -0.689 54.239 54.840 0.146 0.000 0.812 300 L CB 0.399 42.389 42.059 -0.114 0.000 1.125 300 L HN 0.598 nan 8.230 nan 0.000 0.452 301 W N 3.187 124.511 121.300 0.041 0.000 2.376 301 W HA 0.478 5.138 4.660 -0.000 0.000 0.322 301 W C 0.086 176.542 176.519 -0.105 0.000 1.160 301 W CA 0.112 57.460 57.345 0.005 0.000 1.218 301 W CB 1.358 30.867 29.460 0.081 0.000 1.205 301 W HN 0.617 nan 8.180 nan 0.000 0.559 302 S N 2.874 117.979 115.700 -0.992 0.000 2.615 302 S HA 0.633 5.103 4.470 -0.000 0.000 0.269 302 S C -0.005 173.829 174.600 -1.278 0.000 1.161 302 S CA -0.336 57.363 58.200 -0.835 0.000 0.817 302 S CB 1.091 63.997 63.200 -0.490 0.000 1.131 302 S HN 1.036 nan 8.310 nan 0.000 0.467 303 A N 0.393 122.645 122.820 -0.947 0.000 2.066 303 A HA 0.126 4.446 4.320 -0.000 0.000 0.218 303 A C 1.701 178.970 177.584 -0.526 0.000 1.157 303 A CA 1.244 52.719 52.037 -0.937 0.000 0.670 303 A CB -0.850 17.472 19.000 -1.130 0.000 0.804 303 A HN 0.869 nan 8.150 nan 0.000 0.453 304 E N -0.777 119.241 120.200 -0.304 0.000 2.112 304 E HA 0.085 4.435 4.350 -0.000 0.000 0.190 304 E C -0.289 176.178 176.600 -0.223 0.000 0.979 304 E CA 0.680 56.969 56.400 -0.185 0.000 0.814 304 E CB 0.076 29.795 29.700 0.032 0.000 0.762 304 E HN 0.591 nan 8.360 nan 0.000 0.460 305 I N 1.416 121.807 120.570 -0.298 0.000 2.576 305 I HA 0.146 4.316 4.170 -0.000 0.000 0.279 305 I C -2.601 173.277 176.117 -0.398 0.000 1.114 305 I CA -1.865 59.282 61.300 -0.254 0.000 1.076 305 I CB 2.204 40.105 38.000 -0.165 0.000 1.212 305 I HN -0.235 nan 8.210 nan 0.000 0.472 306 P HA 0.081 nan 4.420 nan 0.000 0.226 306 P C -0.582 176.704 177.300 -0.022 0.000 1.783 306 P CA -0.160 62.646 63.100 -0.491 0.000 0.980 306 P CB -0.353 31.239 31.700 -0.180 0.000 1.967 307 N N 1.878 120.588 118.700 0.018 0.000 2.468 307 N HA 0.120 4.860 4.740 -0.000 0.000 0.265 307 N C 0.134 175.869 175.510 0.376 0.000 1.199 307 N CA 0.358 53.496 53.050 0.147 0.000 0.928 307 N CB 0.842 39.402 38.487 0.121 0.000 1.059 307 N HN 0.273 nan 8.380 nan 0.000 0.467 308 L N 2.239 123.602 121.223 0.235 0.000 2.323 308 L HA 0.526 4.865 4.340 -0.000 0.000 0.265 308 L C -0.803 176.155 176.870 0.147 0.000 1.012 308 L CA -0.890 54.116 54.840 0.278 0.000 0.820 308 L CB 1.154 43.340 42.059 0.211 0.000 1.334 308 L HN 0.390 nan 8.230 nan 0.000 0.427 309 Y N -0.077 120.349 120.300 0.211 0.000 2.602 309 Y HA 0.577 5.127 4.550 -0.000 0.000 0.342 309 Y C -0.324 175.683 175.900 0.179 0.000 1.029 309 Y CA -0.828 57.403 58.100 0.219 0.000 1.080 309 Y CB 2.052 40.691 38.460 0.298 0.000 1.284 309 Y HN 0.383 nan 8.280 nan 0.000 0.485 310 R N 1.186 121.923 120.500 0.395 0.000 2.445 310 R HA 0.860 5.200 4.340 -0.000 0.000 0.308 310 R C -1.515 174.989 176.300 0.340 0.000 0.961 310 R CA -0.618 55.651 56.100 0.283 0.000 0.862 310 R CB 1.044 31.428 30.300 0.141 0.000 1.144 310 R HN 0.794 nan 8.270 nan 0.000 0.447 311 A N 3.758 126.717 122.820 0.232 0.000 2.343 311 A HA 0.613 4.933 4.320 -0.000 0.000 0.316 311 A C -1.187 176.479 177.584 0.138 0.000 1.104 311 A CA -0.644 51.520 52.037 0.212 0.000 0.768 311 A CB 1.593 20.688 19.000 0.159 0.000 1.213 311 A HN 0.459 nan 8.150 nan 0.000 0.456 312 V N 2.389 122.392 119.914 0.149 0.000 2.540 312 V HA 0.525 4.645 4.120 -0.000 0.000 0.302 312 V C -0.448 175.643 176.094 -0.005 0.000 1.035 312 V CA -0.639 61.690 62.300 0.049 0.000 0.873 312 V CB 1.581 33.450 31.823 0.076 0.000 0.992 312 V HN 0.620 nan 8.190 nan 0.000 0.428 313 V N 4.726 124.577 119.914 -0.106 0.000 2.350 313 V HA 0.465 4.585 4.120 -0.000 0.000 0.285 313 V C -0.172 175.874 176.094 -0.079 0.000 1.014 313 V CA -0.545 61.667 62.300 -0.147 0.000 0.831 313 V CB 1.331 32.930 31.823 -0.374 0.000 1.000 313 V HN 1.028 nan 8.190 nan 0.000 0.433 314 E N 5.013 125.213 120.200 -0.000 0.000 2.176 314 E HA 0.563 4.913 4.350 -0.000 0.000 0.267 314 E C -1.118 175.565 176.600 0.138 0.000 0.893 314 E CA -1.063 55.381 56.400 0.074 0.000 0.761 314 E CB 2.809 32.572 29.700 0.104 0.000 1.133 314 E HN 0.417 nan 8.360 nan 0.000 0.409 315 L N 5.304 126.582 121.223 0.091 0.000 2.261 315 L HA 0.271 4.611 4.340 -0.000 0.000 0.289 315 L C -0.599 176.346 176.870 0.126 0.000 1.059 315 L CA 0.153 55.029 54.840 0.061 0.000 0.816 315 L CB -0.126 41.950 42.059 0.028 0.000 1.191 315 L HN 0.686 nan 8.230 nan 0.000 0.431 316 H N 1.243 120.340 119.070 0.045 0.000 2.942 316 H HA 0.615 5.171 4.556 -0.000 0.000 0.316 316 H C -1.060 174.322 175.328 0.090 0.000 1.323 316 H CA -0.358 55.724 56.048 0.057 0.000 1.144 316 H CB 1.032 30.819 29.762 0.041 0.000 1.866 316 H HN 0.488 nan 8.280 nan 0.000 0.545 317 T N -2.618 112.094 114.554 0.262 0.000 2.927 317 T HA 0.528 4.878 4.350 -0.000 0.000 0.281 317 T C 1.479 176.358 174.700 0.300 0.000 0.998 317 T CA -0.226 62.038 62.100 0.274 0.000 1.019 317 T CB 1.460 70.523 68.868 0.325 0.000 1.061 317 T HN 0.774 nan 8.240 nan 0.000 0.518 318 A N 1.193 124.160 122.820 0.246 0.000 1.978 318 A HA -0.140 4.180 4.320 -0.000 0.000 0.220 318 A C 2.048 179.729 177.584 0.163 0.000 1.170 318 A CA 1.829 53.980 52.037 0.189 0.000 0.636 318 A CB -1.071 18.025 19.000 0.159 0.000 0.810 318 A HN 0.998 nan 8.150 nan 0.000 0.448 319 D N -1.900 118.581 120.400 0.134 0.000 2.178 319 D HA 0.067 4.707 4.640 -0.000 0.000 0.201 319 D C 1.330 177.676 176.300 0.077 0.000 0.980 319 D CA 1.391 55.438 54.000 0.079 0.000 0.842 319 D CB -0.316 40.508 40.800 0.039 0.000 0.948 319 D HN 0.843 nan 8.370 nan 0.000 0.472 320 G N -0.074 108.798 108.800 0.121 0.000 2.227 320 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.168 320 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.168 320 G C 0.244 175.162 174.900 0.030 0.000 1.006 320 G CA 0.036 45.159 45.100 0.039 0.000 0.684 320 G HN 0.328 nan 8.290 nan 0.000 0.489 321 T N 2.043 116.652 114.554 0.092 0.000 2.769 321 T HA 0.427 4.777 4.350 -0.000 0.000 0.293 321 T C 0.589 175.364 174.700 0.125 0.000 0.931 321 T CA -0.006 62.144 62.100 0.083 0.000 1.139 321 T CB 1.094 70.008 68.868 0.076 0.000 0.881 321 T HN 0.399 nan 8.240 nan 0.000 0.532 322 L N 5.023 126.297 121.223 0.084 0.000 2.360 322 L HA 0.205 4.545 4.340 -0.000 0.000 0.276 322 L C 0.696 177.623 176.870 0.095 0.000 1.121 322 L CA -0.353 54.550 54.840 0.104 0.000 0.845 322 L CB 0.438 42.530 42.059 0.056 0.000 1.143 322 L HN 0.641 nan 8.230 nan 0.000 0.452 323 I N 3.495 124.126 120.570 0.102 0.000 2.339 323 I HA 0.027 4.197 4.170 -0.000 0.000 0.245 323 I C 0.611 176.742 176.117 0.023 0.000 1.096 323 I CA 0.852 62.185 61.300 0.055 0.000 1.408 323 I CB 0.009 38.032 38.000 0.039 0.000 1.092 323 I HN 0.751 nan 8.210 nan 0.000 0.423 324 E N -0.415 119.801 120.200 0.026 0.000 2.409 324 E HA 0.708 5.058 4.350 -0.000 0.000 0.280 324 E C -1.626 174.994 176.600 0.034 0.000 1.079 324 E CA -1.116 55.292 56.400 0.013 0.000 0.840 324 E CB 1.367 31.031 29.700 -0.059 0.000 1.309 324 E HN -0.048 nan 8.360 nan 0.000 0.447 325 A N 1.328 124.196 122.820 0.080 0.000 2.475 325 A HA 0.724 5.044 4.320 -0.000 0.000 0.301 325 A C -1.123 176.581 177.584 0.199 0.000 1.059 325 A CA -0.703 51.393 52.037 0.098 0.000 0.710 325 A CB 1.810 20.866 19.000 0.093 0.000 1.288 325 A HN 0.530 nan 8.150 nan 0.000 0.408 326 E N -0.380 119.873 120.200 0.088 0.000 2.392 326 E HA 0.792 5.142 4.350 -0.000 0.000 0.269 326 E C -0.585 176.051 176.600 0.060 0.000 0.924 326 E CA -0.610 55.902 56.400 0.187 0.000 0.784 326 E CB 2.501 32.222 29.700 0.035 0.000 1.292 326 E HN 1.123 nan 8.360 nan 0.000 0.447 327 A N 0.090 123.067 122.820 0.262 0.000 2.588 327 A HA 0.843 5.163 4.320 -0.000 0.000 0.290 327 A C -1.130 176.641 177.584 0.311 0.000 1.136 327 A CA -0.380 51.738 52.037 0.134 0.000 0.681 327 A CB 1.098 20.065 19.000 -0.054 0.000 1.282 327 A HN 0.921 nan 8.150 nan 0.000 0.421 328 C N -0.877 118.568 119.300 0.240 0.000 3.292 328 C HA 0.740 5.200 4.460 -0.000 0.000 0.338 328 C C -1.669 173.412 174.990 0.151 0.000 1.323 328 C CA -1.010 58.143 59.018 0.225 0.000 1.232 328 C CB 0.944 28.835 27.740 0.251 0.000 1.517 328 C HN 0.808 nan 8.230 nan 0.000 0.470 329 D N 1.060 121.525 120.400 0.109 0.000 2.256 329 D HA 0.567 5.207 4.640 -0.000 0.000 0.250 329 D C -0.424 175.913 176.300 0.062 0.000 1.093 329 D CA 0.120 54.185 54.000 0.107 0.000 0.882 329 D CB 2.027 42.889 40.800 0.104 0.000 1.185 329 D HN 0.536 nan 8.370 nan 0.000 0.437 330 V N 1.059 121.036 119.914 0.105 0.000 2.604 330 V HA 0.671 4.791 4.120 -0.000 0.000 0.305 330 V C 0.517 176.643 176.094 0.054 0.000 1.043 330 V CA -0.746 61.556 62.300 0.003 0.000 0.888 330 V CB 2.115 33.919 31.823 -0.032 0.000 0.995 330 V HN 0.633 nan 8.190 nan 0.000 0.429 331 G N 2.837 111.568 108.800 -0.115 0.000 2.478 331 G HA2 0.628 4.588 3.960 -0.000 0.000 0.317 331 G HA3 0.628 4.588 3.960 -0.000 0.000 0.317 331 G C -1.174 173.730 174.900 0.007 0.000 1.259 331 G CA -0.406 44.706 45.100 0.022 0.000 0.933 331 G HN 0.422 nan 8.290 nan 0.000 0.478 332 F N 2.230 122.343 119.950 0.271 0.000 2.404 332 F HA 0.507 5.034 4.527 -0.000 0.000 0.359 332 F C 1.007 177.034 175.800 0.378 0.000 1.134 332 F CA -0.233 57.976 58.000 0.347 0.000 1.160 332 F CB 0.947 40.170 39.000 0.373 0.000 1.186 332 F HN 0.478 nan 8.300 nan 0.000 0.526 333 R N 1.220 121.987 120.500 0.445 0.000 2.710 333 R HA 0.552 4.892 4.340 -0.000 0.000 0.270 333 R C -1.603 174.819 176.300 0.205 0.000 1.021 333 R CA -1.142 55.079 56.100 0.201 0.000 0.889 333 R CB 1.798 32.235 30.300 0.229 0.000 1.243 333 R HN 0.432 nan 8.270 nan 0.000 0.464 334 E N 1.727 121.944 120.200 0.029 0.000 2.199 334 E HA 0.420 4.770 4.350 -0.000 0.000 0.265 334 E C -1.342 175.306 176.600 0.079 0.000 0.882 334 E CA -0.938 55.545 56.400 0.139 0.000 0.759 334 E CB 2.149 31.969 29.700 0.199 0.000 1.148 334 E HN 0.415 nan 8.360 nan 0.000 0.412 335 V N 5.589 125.552 119.914 0.081 0.000 2.384 335 V HA 0.578 4.698 4.120 -0.000 0.000 0.287 335 V C -0.145 175.978 176.094 0.049 0.000 1.020 335 V CA -0.544 61.780 62.300 0.040 0.000 0.850 335 V CB 1.219 33.047 31.823 0.010 0.000 0.987 335 V HN 0.726 nan 8.190 nan 0.000 0.436 336 R N 4.340 124.866 120.500 0.044 0.000 2.710 336 R HA 0.707 5.047 4.340 -0.000 0.000 0.270 336 R C -2.012 174.308 176.300 0.033 0.000 1.021 336 R CA -0.939 55.189 56.100 0.047 0.000 0.889 336 R CB 1.857 32.197 30.300 0.067 0.000 1.243 336 R HN 0.501 nan 8.270 nan 0.000 0.464 337 I N 1.500 122.090 120.570 0.033 0.000 2.339 337 I HA 0.324 4.494 4.170 -0.000 0.000 0.290 337 I C -0.642 175.493 176.117 0.029 0.000 0.994 337 I CA -0.380 60.935 61.300 0.025 0.000 1.191 337 I CB 1.734 39.751 38.000 0.027 0.000 1.343 337 I HN 0.716 nan 8.210 nan 0.000 0.458 338 E N 6.508 126.722 120.200 0.024 0.000 2.278 338 E HA 0.243 4.593 4.350 -0.000 0.000 0.272 338 E C -0.311 176.300 176.600 0.018 0.000 0.890 338 E CA -0.566 55.850 56.400 0.026 0.000 0.770 338 E CB 1.037 30.757 29.700 0.033 0.000 1.212 338 E HN 0.536 nan 8.360 nan 0.000 0.415 339 N N 3.362 122.072 118.700 0.017 0.000 2.735 339 N HA -0.218 4.522 4.740 -0.000 0.000 0.248 339 N C 0.480 175.995 175.510 0.007 0.000 1.083 339 N CA 2.136 55.194 53.050 0.012 0.000 0.703 339 N CB -1.241 37.253 38.487 0.011 0.000 1.005 339 N HN 1.059 nan 8.380 nan 0.000 0.550 340 G N -2.247 106.557 108.800 0.007 0.000 2.176 340 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.253 340 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.253 340 G C -0.071 174.823 174.900 -0.009 0.000 0.979 340 G CA 0.521 45.621 45.100 0.000 0.000 0.641 340 G HN 0.478 nan 8.290 nan 0.000 0.530 341 L N -0.054 121.164 121.223 -0.007 0.000 2.354 341 L HA 0.750 5.090 4.340 -0.000 0.000 0.269 341 L C -0.039 176.821 176.870 -0.018 0.000 1.005 341 L CA -1.331 53.498 54.840 -0.019 0.000 0.819 341 L CB 1.950 43.997 42.059 -0.019 0.000 1.311 341 L HN 0.104 nan 8.230 nan 0.000 0.423 342 L N 3.683 124.885 121.223 -0.036 0.000 2.265 342 L HA 0.506 4.846 4.340 -0.000 0.000 0.288 342 L C -0.948 175.898 176.870 -0.039 0.000 1.058 342 L CA 0.336 55.154 54.840 -0.036 0.000 0.809 342 L CB 0.477 42.502 42.059 -0.057 0.000 1.179 342 L HN 0.389 nan 8.230 nan 0.000 0.429 343 L N 5.663 126.877 121.223 -0.015 0.000 2.342 343 L HA 0.587 4.927 4.340 -0.000 0.000 0.271 343 L C -0.908 175.964 176.870 0.002 0.000 1.008 343 L CA -0.859 53.979 54.840 -0.002 0.000 0.818 343 L CB 2.019 44.098 42.059 0.034 0.000 1.296 343 L HN 0.560 nan 8.230 nan 0.000 0.427 344 L N 2.975 124.210 121.223 0.019 0.000 2.376 344 L HA 0.495 4.835 4.340 -0.000 0.000 0.275 344 L C -0.277 176.618 176.870 0.041 0.000 0.987 344 L CA -0.092 54.766 54.840 0.030 0.000 0.828 344 L CB 1.032 43.113 42.059 0.037 0.000 1.249 344 L HN 0.614 nan 8.230 nan 0.000 0.409 345 N N 4.085 122.701 118.700 -0.140 0.000 2.721 345 N HA -0.221 4.519 4.740 -0.000 0.000 0.249 345 N C 0.880 176.162 175.510 -0.379 0.000 1.072 345 N CA 1.389 54.104 53.050 -0.558 0.000 0.710 345 N CB -1.222 36.815 38.487 -0.750 0.000 0.993 345 N HN 1.185 nan 8.380 nan 0.000 0.547 346 G N -1.952 106.845 108.800 -0.004 0.000 2.217 346 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.246 346 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.246 346 G C -0.091 174.857 174.900 0.080 0.000 0.990 346 G CA 0.784 45.963 45.100 0.132 0.000 0.627 346 G HN 0.465 nan 8.290 nan 0.000 0.522 347 K N 1.003 121.439 120.400 0.061 0.000 2.203 347 K HA 0.549 4.869 4.320 -0.000 0.000 0.251 347 K C -3.033 173.553 176.600 -0.024 0.000 0.944 347 K CA -2.090 54.192 56.287 -0.009 0.000 0.829 347 K CB 2.682 35.108 32.500 -0.124 0.000 1.125 347 K HN 0.031 nan 8.250 nan 0.000 0.430 348 P HA 0.224 nan 4.420 nan 0.000 0.282 348 P C -0.179 177.068 177.300 -0.089 0.000 1.262 348 P CA -0.212 62.850 63.100 -0.062 0.000 0.773 348 P CB 0.517 32.181 31.700 -0.060 0.000 0.879 349 L N 3.194 124.357 121.223 -0.100 0.000 2.468 349 L HA 0.388 4.728 4.340 -0.000 0.000 0.254 349 L C 0.509 177.304 176.870 -0.126 0.000 1.171 349 L CA -0.679 54.091 54.840 -0.117 0.000 0.809 349 L CB 0.328 42.279 42.059 -0.179 0.000 1.155 349 L HN 0.235 nan 8.230 nan 0.000 0.473 350 L N 2.485 123.647 121.223 -0.101 0.000 2.471 350 L HA 0.424 4.764 4.340 -0.000 0.000 0.263 350 L C -0.692 176.129 176.870 -0.082 0.000 0.985 350 L CA -0.134 54.633 54.840 -0.121 0.000 0.868 350 L CB 0.993 43.011 42.059 -0.069 0.000 1.203 350 L HN 0.229 nan 8.230 nan 0.000 0.429 351 I N 4.679 125.136 120.570 -0.189 0.000 2.379 351 I HA 0.235 4.405 4.170 -0.000 0.000 0.290 351 I C 0.435 176.496 176.117 -0.093 0.000 1.063 351 I CA -0.027 61.170 61.300 -0.172 0.000 1.351 351 I CB 0.637 38.417 38.000 -0.367 0.000 1.410 351 I HN 0.579 nan 8.210 nan 0.000 0.505 352 R N 4.746 125.267 120.500 0.035 0.000 3.070 352 R HA 0.451 4.791 4.340 -0.000 0.000 0.252 352 R C 0.503 176.887 176.300 0.141 0.000 1.370 352 R CA -0.239 55.911 56.100 0.084 0.000 1.482 352 R CB 0.849 31.047 30.300 -0.171 0.000 1.220 352 R HN 0.782 nan 8.270 nan 0.000 0.622 353 G N 0.059 108.900 108.800 0.069 0.000 2.537 353 G HA2 0.608 4.568 3.960 -0.000 0.000 0.323 353 G HA3 0.608 4.568 3.960 -0.000 0.000 0.323 353 G C -1.340 173.847 174.900 0.480 0.000 1.207 353 G CA -0.499 44.663 45.100 0.104 0.000 0.976 353 G HN 0.241 nan 8.290 nan 0.000 0.487 354 V N 0.031 120.224 119.914 0.465 0.000 2.971 354 V HA 0.481 4.601 4.120 -0.000 0.000 0.309 354 V C -1.143 175.089 176.094 0.231 0.000 1.130 354 V CA -1.204 61.259 62.300 0.271 0.000 0.964 354 V CB 2.211 33.917 31.823 -0.194 0.000 1.029 354 V HN 0.761 nan 8.190 nan 0.000 0.427 355 N N 4.375 123.142 118.700 0.112 0.000 2.499 355 N HA 0.474 5.214 4.740 -0.000 0.000 0.281 355 N C -0.794 174.530 175.510 -0.311 0.000 1.098 355 N CA -0.361 52.632 53.050 -0.096 0.000 0.979 355 N CB 1.659 40.100 38.487 -0.077 0.000 1.121 355 N HN 0.632 nan 8.380 nan 0.000 0.466 356 R N 2.026 122.312 120.500 -0.357 0.000 2.514 356 R HA 0.236 4.576 4.340 -0.000 0.000 0.296 356 R C -0.989 175.083 176.300 -0.380 0.000 1.012 356 R CA -0.549 55.351 56.100 -0.333 0.000 0.897 356 R CB 0.962 31.067 30.300 -0.324 0.000 1.184 356 R HN 0.588 nan 8.270 nan 0.000 0.440 357 H N 2.048 120.970 119.070 -0.246 0.000 2.508 357 H HA 0.142 4.698 4.556 -0.000 0.000 0.358 357 H C -0.507 174.809 175.328 -0.020 0.000 1.212 357 H CA -0.088 55.900 56.048 -0.101 0.000 1.356 357 H CB 1.518 31.274 29.762 -0.011 0.000 1.525 357 H HN 0.558 nan 8.280 nan 0.000 0.578 358 E N 1.591 121.978 120.200 0.312 0.000 1.941 358 E HA 0.104 4.454 4.350 -0.000 0.000 0.275 358 E C -0.777 175.961 176.600 0.229 0.000 1.113 358 E CA 0.009 56.511 56.400 0.170 0.000 0.878 358 E CB 0.164 29.968 29.700 0.173 0.000 1.070 358 E HN 0.382 nan 8.360 nan 0.000 0.399 359 H N 1.517 120.630 119.070 0.072 0.000 2.865 359 H HA 0.255 4.811 4.556 -0.000 0.000 0.362 359 H C -1.623 173.737 175.328 0.053 0.000 1.114 359 H CA -0.683 55.403 56.048 0.063 0.000 1.208 359 H CB 1.087 30.875 29.762 0.043 0.000 1.727 359 H HN 0.365 nan 8.280 nan 0.000 0.534 360 H N 6.274 124.993 119.070 -0.585 0.000 2.744 360 H HA 0.195 4.751 4.556 -0.000 0.000 0.339 360 H C -2.194 172.729 175.328 -0.675 0.000 1.004 360 H CA -2.395 53.386 56.048 -0.446 0.000 1.257 360 H CB 2.501 32.135 29.762 -0.214 0.000 1.552 360 H HN 0.561 nan 8.280 nan 0.000 0.522 361 P HA -0.134 nan 4.420 nan 0.000 0.217 361 P C 1.373 178.561 177.300 -0.187 0.000 1.148 361 P CA 0.923 63.860 63.100 -0.272 0.000 0.828 361 P CB 0.827 32.408 31.700 -0.198 0.000 0.783 362 L N -1.873 119.334 121.223 -0.027 0.000 2.269 362 L HA 0.047 4.387 4.340 -0.000 0.000 0.200 362 L C 2.384 179.109 176.870 -0.242 0.000 1.069 362 L CA 0.901 55.643 54.840 -0.163 0.000 0.804 362 L CB -0.691 41.163 42.059 -0.341 0.000 0.987 362 L HN 0.009 nan 8.230 nan 0.000 0.468 363 H N -0.697 118.314 119.070 -0.098 0.000 2.539 363 H HA 0.208 4.764 4.556 -0.000 0.000 0.267 363 H C 1.389 176.596 175.328 -0.201 0.000 0.982 363 H CA 0.135 56.042 56.048 -0.234 0.000 1.146 363 H CB 0.317 29.840 29.762 -0.399 0.000 1.382 363 H HN 0.446 nan 8.280 nan 0.000 0.577 364 G N 1.488 110.194 108.800 -0.157 0.000 2.543 364 G HA2 -0.392 3.568 3.960 -0.000 0.000 0.286 364 G HA3 -0.392 3.568 3.960 -0.000 0.000 0.286 364 G C 0.599 175.402 174.900 -0.162 0.000 1.153 364 G CA 0.305 45.258 45.100 -0.245 0.000 0.968 364 G HN 0.462 nan 8.290 nan 0.000 0.544 365 Q N 0.050 119.776 119.800 -0.122 0.000 2.280 365 Q HA 0.451 4.791 4.340 -0.000 0.000 0.202 365 Q C 0.455 176.504 176.000 0.082 0.000 0.903 365 Q CA -0.058 55.708 55.803 -0.061 0.000 0.948 365 Q CB 0.866 29.459 28.738 -0.241 0.000 1.058 365 Q HN 0.383 nan 8.270 nan 0.000 0.493 366 V N 1.851 121.811 119.914 0.076 0.000 2.498 366 V HA 0.188 4.308 4.120 -0.000 0.000 0.279 366 V C 0.162 176.299 176.094 0.072 0.000 1.048 366 V CA -0.025 62.340 62.300 0.107 0.000 0.967 366 V CB 1.020 32.850 31.823 0.011 0.000 0.988 366 V HN 0.315 nan 8.190 nan 0.000 0.473 367 M N 4.362 123.996 119.600 0.057 0.000 2.598 367 M HA 0.569 5.049 4.480 -0.000 0.000 0.317 367 M C -0.599 175.635 176.300 -0.110 0.000 1.201 367 M CA -0.743 54.545 55.300 -0.019 0.000 0.971 367 M CB 1.684 34.236 32.600 -0.080 0.000 1.657 367 M HN 0.967 nan 8.290 nan 0.000 0.470 368 D N -1.893 118.458 120.400 -0.082 0.000 2.602 368 D HA 0.223 4.863 4.640 -0.000 0.000 0.236 368 D C 0.286 176.574 176.300 -0.020 0.000 1.209 368 D CA -0.649 53.309 54.000 -0.071 0.000 0.831 368 D CB 1.232 42.023 40.800 -0.016 0.000 1.478 368 D HN 0.687 nan 8.370 nan 0.000 0.438 369 E N -0.011 120.191 120.200 0.003 0.000 2.086 369 E HA -0.369 3.981 4.350 -0.000 0.000 0.200 369 E C 1.545 178.200 176.600 0.091 0.000 1.012 369 E CA 1.571 58.007 56.400 0.061 0.000 0.812 369 E CB 0.082 29.831 29.700 0.082 0.000 0.743 369 E HN 0.567 nan 8.360 nan 0.000 0.453 370 Q N -0.353 119.499 119.800 0.087 0.000 2.061 370 Q HA -0.168 4.172 4.340 -0.000 0.000 0.204 370 Q C 2.221 178.289 176.000 0.113 0.000 0.984 370 Q CA 2.290 58.153 55.803 0.099 0.000 0.846 370 Q CB -0.180 28.616 28.738 0.097 0.000 0.902 370 Q HN 0.370 nan 8.270 nan 0.000 0.421 371 T N 1.140 115.772 114.554 0.131 0.000 2.622 371 T HA -0.182 4.168 4.350 -0.000 0.000 0.266 371 T C 1.956 176.745 174.700 0.147 0.000 1.047 371 T CA 1.688 63.877 62.100 0.148 0.000 1.159 371 T CB -0.259 68.721 68.868 0.186 0.000 0.863 371 T HN 0.293 nan 8.240 nan 0.000 0.422 372 M N 0.626 120.319 119.600 0.155 0.000 2.089 372 M HA -0.154 4.326 4.480 -0.000 0.000 0.257 372 M C 2.438 178.869 176.300 0.218 0.000 1.071 372 M CA 1.541 57.006 55.300 0.274 0.000 1.096 372 M CB -0.758 32.029 32.600 0.313 0.000 1.330 372 M HN 0.115 nan 8.290 nan 0.000 0.403 373 V N -0.252 119.732 119.914 0.116 0.000 2.515 373 V HA -0.264 3.856 4.120 -0.000 0.000 0.250 373 V C 2.261 178.346 176.094 -0.016 0.000 1.058 373 V CA 1.788 64.087 62.300 -0.001 0.000 1.064 373 V CB -0.814 31.031 31.823 0.037 0.000 0.675 373 V HN 0.541 nan 8.190 nan 0.000 0.461 374 Q N -0.221 119.620 119.800 0.068 0.000 2.050 374 Q HA -0.255 4.085 4.340 -0.000 0.000 0.202 374 Q C 2.030 178.110 176.000 0.133 0.000 0.980 374 Q CA 2.011 57.870 55.803 0.093 0.000 0.840 374 Q CB -0.088 28.721 28.738 0.119 0.000 0.898 374 Q HN 0.608 nan 8.270 nan 0.000 0.424 375 D N 0.372 120.875 120.400 0.172 0.000 2.092 375 D HA -0.177 4.463 4.640 -0.000 0.000 0.193 375 D C 1.866 178.144 176.300 -0.037 0.000 0.994 375 D CA 1.178 55.292 54.000 0.191 0.000 0.828 375 D CB -0.273 40.630 40.800 0.173 0.000 0.963 375 D HN 0.324 nan 8.370 nan 0.000 0.450 376 I N 0.664 121.188 120.570 -0.076 0.000 2.208 376 I HA -0.254 3.916 4.170 -0.000 0.000 0.245 376 I C 2.386 178.378 176.117 -0.208 0.000 1.097 376 I CA 0.682 61.836 61.300 -0.244 0.000 1.363 376 I CB -0.144 37.601 38.000 -0.426 0.000 1.051 376 I HN 0.050 nan 8.210 nan 0.000 0.413 377 L N -0.007 121.137 121.223 -0.131 0.000 2.027 377 L HA -0.217 4.123 4.340 -0.000 0.000 0.206 377 L C 2.594 179.536 176.870 0.121 0.000 1.074 377 L CA 1.514 56.358 54.840 0.006 0.000 0.745 377 L CB -0.741 41.339 42.059 0.035 0.000 0.898 377 L HN 0.317 nan 8.230 nan 0.000 0.433 378 L N -0.756 120.565 121.223 0.164 0.000 2.012 378 L HA -0.269 4.071 4.340 -0.000 0.000 0.210 378 L C 2.788 179.839 176.870 0.303 0.000 1.073 378 L CA 1.452 56.474 54.840 0.303 0.000 0.748 378 L CB -0.313 42.053 42.059 0.512 0.000 0.891 378 L HN 0.309 nan 8.230 nan 0.000 0.431 379 M N -0.640 118.980 119.600 0.033 0.000 2.065 379 M HA -0.260 4.220 4.480 -0.000 0.000 0.259 379 M C 2.338 178.712 176.300 0.123 0.000 1.071 379 M CA 1.870 57.109 55.300 -0.102 0.000 1.109 379 M CB -0.426 31.894 32.600 -0.468 0.000 1.313 379 M HN 0.104 nan 8.290 nan 0.000 0.408 380 K N 0.107 120.484 120.400 -0.038 0.000 2.103 380 K HA -0.205 4.115 4.320 -0.000 0.000 0.207 380 K C 1.891 178.481 176.600 -0.017 0.000 1.048 380 K CA 1.465 57.630 56.287 -0.202 0.000 0.930 380 K CB -0.288 31.902 32.500 -0.517 0.000 0.716 380 K HN 0.516 nan 8.250 nan 0.000 0.444 381 Q N 0.173 120.130 119.800 0.262 0.000 2.369 381 Q HA -0.018 4.322 4.340 -0.000 0.000 0.206 381 Q C 0.862 177.155 176.000 0.489 0.000 0.963 381 Q CA 0.574 56.651 55.803 0.456 0.000 0.894 381 Q CB 0.168 29.154 28.738 0.414 0.000 0.965 381 Q HN 0.245 nan 8.270 nan 0.000 0.475 382 N N 0.667 119.613 118.700 0.409 0.000 2.279 382 N HA 0.051 4.791 4.740 -0.000 0.000 0.226 382 N C -0.597 175.030 175.510 0.195 0.000 1.126 382 N CA 0.062 53.346 53.050 0.390 0.000 0.846 382 N CB 0.657 39.452 38.487 0.512 0.000 1.050 382 N HN 0.162 nan 8.380 nan 0.000 0.502 383 N N 0.004 118.810 118.700 0.177 0.000 2.829 383 N HA -0.181 4.559 4.740 -0.000 0.000 0.250 383 N C -0.847 174.561 175.510 -0.170 0.000 1.090 383 N CA 0.716 53.781 53.050 0.026 0.000 0.781 383 N CB -1.734 36.666 38.487 -0.144 0.000 1.124 383 N HN 0.228 nan 8.380 nan 0.000 0.559 384 F N 1.185 121.134 119.950 -0.002 0.000 2.375 384 F HA 0.323 4.850 4.527 -0.000 0.000 0.333 384 F C 1.789 177.573 175.800 -0.028 0.000 1.104 384 F CA -0.503 57.482 58.000 -0.025 0.000 1.149 384 F CB 0.811 39.776 39.000 -0.058 0.000 1.190 384 F HN 0.045 nan 8.300 nan 0.000 0.533 385 N N 0.617 119.432 118.700 0.191 0.000 2.160 385 N HA 0.436 5.176 4.740 -0.000 0.000 0.226 385 N C -0.858 174.716 175.510 0.107 0.000 1.256 385 N CA 0.017 53.121 53.050 0.091 0.000 0.890 385 N CB 0.727 39.317 38.487 0.172 0.000 1.116 385 N HN 0.483 nan 8.380 nan 0.000 0.517 386 A N -0.541 122.400 122.820 0.202 0.000 2.606 386 A HA 0.765 5.085 4.320 -0.000 0.000 0.293 386 A C -1.747 176.044 177.584 0.346 0.000 1.082 386 A CA -0.636 51.578 52.037 0.294 0.000 0.685 386 A CB 1.734 20.949 19.000 0.358 0.000 1.284 386 A HN 0.286 nan 8.150 nan 0.000 0.408 387 V N 0.787 120.950 119.914 0.415 0.000 2.971 387 V HA 0.834 4.954 4.120 -0.000 0.000 0.309 387 V C -0.880 175.357 176.094 0.238 0.000 1.130 387 V CA -0.723 61.782 62.300 0.342 0.000 0.964 387 V CB 2.002 33.934 31.823 0.181 0.000 1.029 387 V HN 1.167 nan 8.190 nan 0.000 0.427 388 R N 4.474 124.973 120.500 -0.003 0.000 2.387 388 R HA 0.493 4.833 4.340 -0.000 0.000 0.314 388 R C -0.804 175.368 176.300 -0.214 0.000 0.958 388 R CA -0.496 55.439 56.100 -0.275 0.000 0.846 388 R CB 1.276 31.156 30.300 -0.701 0.000 1.147 388 R HN 0.833 nan 8.270 nan 0.000 0.447 389 C N 4.222 123.422 119.300 -0.166 0.000 3.329 389 C HA 0.098 4.558 4.460 -0.000 0.000 0.537 389 C C 0.539 175.256 174.990 -0.455 0.000 1.034 389 C CA -0.423 58.442 59.018 -0.254 0.000 1.086 389 C CB -2.193 25.506 27.740 -0.068 0.000 1.392 389 C HN 0.687 nan 8.230 nan 0.000 0.612 390 S N 1.376 116.701 115.700 -0.626 0.000 2.481 390 S HA 0.155 4.625 4.470 -0.000 0.000 0.282 390 S C -0.114 173.624 174.600 -1.437 0.000 1.243 390 S CA 0.168 57.745 58.200 -1.039 0.000 1.078 390 S CB 0.078 62.608 63.200 -1.117 0.000 0.916 390 S HN 0.727 nan 8.310 nan 0.000 0.495 391 H N 3.536 121.990 119.070 -1.026 0.000 2.597 391 H HA 0.317 4.873 4.556 -0.000 0.000 0.225 391 H C -1.150 174.008 175.328 -0.284 0.000 1.422 391 H CA -0.379 55.427 56.048 -0.404 0.000 1.335 391 H CB -0.135 29.598 29.762 -0.048 0.000 1.783 391 H HN 0.889 nan 8.280 nan 0.000 0.513 392 Y N -2.749 117.649 120.300 0.163 0.000 2.765 392 Y HA 0.391 4.941 4.550 -0.000 0.000 0.350 392 Y C -3.303 172.699 175.900 0.170 0.000 1.196 392 Y CA -2.976 55.228 58.100 0.174 0.000 1.119 392 Y CB -0.023 38.543 38.460 0.176 0.000 1.368 392 Y HN -0.081 nan 8.280 nan 0.000 0.463 393 P HA 0.175 nan 4.420 nan 0.000 0.269 393 P C -0.668 176.923 177.300 0.484 0.000 1.209 393 P CA 0.133 63.486 63.100 0.422 0.000 0.776 393 P CB 0.628 32.511 31.700 0.305 0.000 0.876 394 N N 0.165 119.156 118.700 0.485 0.000 2.491 394 N HA 0.115 4.855 4.740 -0.000 0.000 0.279 394 N C -0.042 175.695 175.510 0.378 0.000 1.236 394 N CA -0.635 52.608 53.050 0.323 0.000 0.982 394 N CB 0.409 38.863 38.487 -0.054 0.000 1.194 394 N HN 0.592 nan 8.380 nan 0.000 0.582 395 H N 1.795 120.967 119.070 0.170 0.000 3.034 395 H HA 0.014 4.570 4.556 -0.000 0.000 0.324 395 H C -1.733 173.778 175.328 0.304 0.000 1.015 395 H CA -0.795 55.360 56.048 0.178 0.000 1.429 395 H CB 1.042 30.869 29.762 0.107 0.000 1.429 395 H HN 0.396 nan 8.280 nan 0.000 0.585 396 P HA -0.226 nan 4.420 nan 0.000 0.217 396 P C 1.770 179.365 177.300 0.492 0.000 1.151 396 P CA 0.878 64.186 63.100 0.348 0.000 0.849 396 P CB 0.155 31.892 31.700 0.062 0.000 0.787 397 L N -1.503 120.083 121.223 0.605 0.000 2.201 397 L HA -0.038 4.302 4.340 -0.000 0.000 0.212 397 L C 2.258 179.341 176.870 0.354 0.000 1.105 397 L CA 1.346 56.464 54.840 0.463 0.000 0.775 397 L CB -1.283 41.058 42.059 0.469 0.000 0.913 397 L HN 0.052 nan 8.230 nan 0.000 0.440 398 W N -0.284 121.085 121.300 0.116 0.000 2.318 398 W HA -0.360 4.300 4.660 -0.000 0.000 0.313 398 W C 2.104 178.503 176.519 -0.199 0.000 1.221 398 W CA 2.079 59.346 57.345 -0.130 0.000 1.266 398 W CB -0.424 28.825 29.460 -0.352 0.000 1.150 398 W HN 0.279 nan 8.180 nan 0.000 0.496 399 Y N 0.583 120.833 120.300 -0.083 0.000 2.224 399 Y HA -0.231 4.319 4.550 -0.000 0.000 0.289 399 Y C 2.853 178.523 175.900 -0.384 0.000 1.146 399 Y CA 2.107 59.933 58.100 -0.455 0.000 1.182 399 Y CB -1.334 36.580 38.460 -0.912 0.000 0.983 399 Y HN -0.198 nan 8.280 nan 0.000 0.524 400 T N 0.489 115.060 114.554 0.028 0.000 2.777 400 T HA -0.108 4.242 4.350 -0.000 0.000 0.266 400 T C 2.011 176.747 174.700 0.060 0.000 1.040 400 T CA 1.110 63.294 62.100 0.139 0.000 1.141 400 T CB -0.470 68.538 68.868 0.233 0.000 0.868 400 T HN 0.223 nan 8.240 nan 0.000 0.444 401 L N 0.446 121.672 121.223 0.006 0.000 2.046 401 L HA -0.135 4.205 4.340 -0.000 0.000 0.208 401 L C 2.864 179.725 176.870 -0.014 0.000 1.077 401 L CA 1.060 55.927 54.840 0.046 0.000 0.747 401 L CB -0.754 41.285 42.059 -0.033 0.000 0.896 401 L HN 0.383 nan 8.230 nan 0.000 0.432 402 C N -0.229 118.890 119.300 -0.301 0.000 2.425 402 C HA -0.144 4.316 4.460 -0.000 0.000 0.277 402 C C 2.397 177.422 174.990 0.059 0.000 1.280 402 C CA 0.380 59.259 59.018 -0.232 0.000 1.744 402 C CB -0.843 26.649 27.740 -0.412 0.000 1.989 402 C HN 0.543 nan 8.230 nan 0.000 0.491 403 D N 0.445 120.882 120.400 0.060 0.000 2.144 403 D HA -0.101 4.539 4.640 -0.000 0.000 0.199 403 D C 2.379 178.865 176.300 0.310 0.000 0.984 403 D CA 1.183 55.288 54.000 0.176 0.000 0.834 403 D CB -0.333 40.525 40.800 0.097 0.000 0.955 403 D HN 0.536 nan 8.370 nan 0.000 0.465 404 R N -0.966 119.612 120.500 0.130 0.000 2.080 404 R HA 0.012 4.352 4.340 -0.000 0.000 0.222 404 R C 2.172 178.396 176.300 -0.126 0.000 1.107 404 R CA 0.553 56.650 56.100 -0.005 0.000 0.980 404 R CB -0.173 30.038 30.300 -0.148 0.000 0.879 404 R HN 0.265 nan 8.270 nan 0.000 0.439 405 Y N -0.153 120.159 120.300 0.021 0.000 2.395 405 Y HA 0.127 4.677 4.550 -0.000 0.000 0.293 405 Y C 1.027 176.859 175.900 -0.114 0.000 1.123 405 Y CA 0.868 58.951 58.100 -0.028 0.000 1.227 405 Y CB 0.598 39.011 38.460 -0.078 0.000 1.012 405 Y HN 0.257 nan 8.280 nan 0.000 0.552 406 G N 1.137 109.959 108.800 0.037 0.000 2.980 406 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.255 406 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.255 406 G C -1.099 173.631 174.900 -0.284 0.000 1.020 406 G CA -0.551 44.424 45.100 -0.208 0.000 1.230 406 G HN 0.158 nan 8.290 nan 0.000 0.580 407 L N 0.748 121.877 121.223 -0.156 0.000 2.431 407 L HA 0.528 4.868 4.340 -0.000 0.000 0.266 407 L C 0.021 176.852 176.870 -0.065 0.000 0.978 407 L CA -1.334 53.376 54.840 -0.216 0.000 0.822 407 L CB 2.002 43.962 42.059 -0.166 0.000 1.310 407 L HN 0.414 nan 8.230 nan 0.000 0.409 408 Y N 1.787 122.193 120.300 0.177 0.000 2.319 408 Y HA 0.422 4.972 4.550 -0.000 0.000 0.328 408 Y C 0.205 176.216 175.900 0.185 0.000 1.133 408 Y CA -0.647 57.590 58.100 0.227 0.000 1.265 408 Y CB 1.377 39.956 38.460 0.198 0.000 1.218 408 Y HN 0.151 nan 8.280 nan 0.000 0.508 409 V N 3.752 123.846 119.914 0.300 0.000 2.735 409 V HA 0.384 4.504 4.120 -0.000 0.000 0.310 409 V C -0.703 175.476 176.094 0.142 0.000 1.061 409 V CA -1.039 61.386 62.300 0.208 0.000 0.913 409 V CB 2.068 33.981 31.823 0.151 0.000 1.005 409 V HN 0.450 nan 8.190 nan 0.000 0.428 410 V N 2.594 122.568 119.914 0.099 0.000 2.347 410 V HA 0.370 4.490 4.120 -0.000 0.000 0.280 410 V C -0.448 175.688 176.094 0.071 0.000 1.021 410 V CA -0.399 61.915 62.300 0.023 0.000 0.847 410 V CB 1.555 33.310 31.823 -0.112 0.000 0.990 410 V HN 0.889 nan 8.190 nan 0.000 0.444 411 D N 3.989 124.461 120.400 0.119 0.000 2.249 411 D HA 0.333 4.973 4.640 -0.000 0.000 0.246 411 D C -0.274 176.203 176.300 0.296 0.000 1.114 411 D CA -0.050 54.111 54.000 0.268 0.000 0.854 411 D CB 1.335 42.338 40.800 0.339 0.000 1.132 411 D HN 0.694 nan 8.370 nan 0.000 0.461 412 E N 1.844 122.189 120.200 0.242 0.000 2.210 412 E HA 0.609 4.959 4.350 -0.000 0.000 0.266 412 E C -1.017 175.714 176.600 0.219 0.000 0.883 412 E CA -1.061 55.467 56.400 0.213 0.000 0.761 412 E CB 1.356 31.133 29.700 0.128 0.000 1.156 412 E HN 0.473 nan 8.360 nan 0.000 0.412 413 A N 3.808 126.751 122.820 0.206 0.000 2.483 413 A HA 0.020 4.340 4.320 -0.000 0.000 0.238 413 A C 0.394 178.097 177.584 0.199 0.000 1.070 413 A CA -0.151 51.989 52.037 0.172 0.000 0.770 413 A CB 0.113 19.182 19.000 0.114 0.000 1.008 413 A HN 0.700 nan 8.150 nan 0.000 0.497 414 N N 1.316 120.142 118.700 0.209 0.000 3.103 414 N HA 0.226 4.966 4.740 -0.000 0.000 0.305 414 N C -0.950 174.683 175.510 0.204 0.000 1.232 414 N CA 0.228 53.432 53.050 0.258 0.000 1.190 414 N CB -0.868 37.778 38.487 0.265 0.000 1.461 414 N HN 0.476 nan 8.380 nan 0.000 0.538 415 I N 0.663 121.344 120.570 0.186 0.000 2.500 415 I HA 0.279 4.449 4.170 -0.000 0.000 0.286 415 I C -0.598 175.607 176.117 0.148 0.000 1.063 415 I CA -0.679 60.712 61.300 0.151 0.000 1.062 415 I CB 1.929 39.992 38.000 0.106 0.000 1.223 415 I HN 0.212 nan 8.210 nan 0.000 0.435 416 E N 4.272 124.556 120.200 0.140 0.000 2.294 416 E HA 0.299 4.649 4.350 -0.000 0.000 0.272 416 E C -0.487 176.171 176.600 0.098 0.000 0.896 416 E CA -0.434 56.024 56.400 0.097 0.000 0.802 416 E CB 1.595 31.339 29.700 0.072 0.000 1.267 416 E HN 0.654 nan 8.360 nan 0.000 0.406 417 T N 0.758 115.362 114.554 0.083 0.000 3.293 417 T HA 0.142 4.492 4.350 -0.000 0.000 0.276 417 T C 1.018 175.769 174.700 0.085 0.000 1.003 417 T CA -0.219 61.952 62.100 0.118 0.000 0.916 417 T CB -0.293 68.618 68.868 0.071 0.000 1.134 417 T HN 0.671 nan 8.240 nan 0.000 0.530 418 H N 1.257 120.248 119.070 -0.132 0.000 2.325 418 H HA -0.149 4.407 4.556 -0.000 0.000 0.293 418 H C 2.291 177.487 175.328 -0.220 0.000 1.106 418 H CA 1.448 57.380 56.048 -0.194 0.000 1.247 418 H CB -0.283 29.333 29.762 -0.244 0.000 1.359 418 H HN 0.584 nan 8.280 nan 0.000 0.488 419 G N 0.242 108.878 108.800 -0.272 0.000 2.776 419 G HA2 -0.051 3.909 3.960 -0.000 0.000 0.209 419 G HA3 -0.051 3.909 3.960 -0.000 0.000 0.209 419 G C 0.561 175.555 174.900 0.156 0.000 1.145 419 G CA -0.086 44.889 45.100 -0.209 0.000 0.791 419 G HN 0.151 nan 8.290 nan 0.000 0.530 420 M N 0.023 119.754 119.600 0.218 0.000 2.113 420 M HA 0.345 4.825 4.480 -0.000 0.000 0.288 420 M C -0.289 176.040 176.300 0.048 0.000 1.225 420 M CA -0.137 55.249 55.300 0.142 0.000 1.148 420 M CB 1.174 33.810 32.600 0.061 0.000 1.388 420 M HN -0.188 nan 8.290 nan 0.000 0.469 421 V N 2.205 122.126 119.914 0.012 0.000 2.567 421 V HA 0.325 4.445 4.120 -0.000 0.000 0.298 421 V C -2.142 173.939 176.094 -0.022 0.000 1.047 421 V CA -1.322 60.972 62.300 -0.009 0.000 0.880 421 V CB 1.930 33.744 31.823 -0.015 0.000 1.009 421 V HN 0.730 nan 8.190 nan 0.000 0.429 422 P HA 0.275 nan 4.420 nan 0.000 0.274 422 P C 1.099 178.394 177.300 -0.009 0.000 1.256 422 P CA -0.553 62.538 63.100 -0.016 0.000 0.795 422 P CB 0.753 32.445 31.700 -0.013 0.000 1.038 423 M N 0.813 120.413 119.600 0.001 0.000 2.260 423 M HA -0.206 4.274 4.480 -0.000 0.000 0.261 423 M C 0.963 177.274 176.300 0.018 0.000 1.066 423 M CA 1.926 57.235 55.300 0.016 0.000 1.082 423 M CB -0.380 32.223 32.600 0.004 0.000 1.388 423 M HN 0.386 nan 8.290 nan 0.000 0.419 424 N N -0.266 118.441 118.700 0.012 0.000 2.251 424 N HA -0.046 4.694 4.740 -0.000 0.000 0.217 424 N C 1.081 176.553 175.510 -0.063 0.000 1.124 424 N CA 0.056 53.107 53.050 0.003 0.000 0.843 424 N CB -0.639 37.868 38.487 0.034 0.000 1.024 424 N HN 0.353 nan 8.380 nan 0.000 0.501 425 R N 0.537 120.989 120.500 -0.079 0.000 2.103 425 R HA -0.026 4.314 4.340 -0.000 0.000 0.242 425 R C 1.422 177.600 176.300 -0.203 0.000 1.142 425 R CA 1.553 57.582 56.100 -0.119 0.000 0.960 425 R CB -0.082 30.149 30.300 -0.116 0.000 0.858 425 R HN 0.304 nan 8.270 nan 0.000 0.439 426 L N -0.730 120.306 121.223 -0.310 0.000 2.202 426 L HA 0.025 4.365 4.340 -0.000 0.000 0.205 426 L C 2.445 179.132 176.870 -0.305 0.000 1.083 426 L CA 1.187 55.709 54.840 -0.530 0.000 0.790 426 L CB -0.614 40.860 42.059 -0.974 0.000 0.942 426 L HN 0.362 nan 8.230 nan 0.000 0.452 427 T N -3.915 110.500 114.554 -0.232 0.000 2.977 427 T HA -0.194 4.156 4.350 -0.000 0.000 0.271 427 T C 1.219 175.799 174.700 -0.200 0.000 1.105 427 T CA 1.342 63.290 62.100 -0.254 0.000 1.116 427 T CB -0.294 68.379 68.868 -0.325 0.000 0.878 427 T HN 0.111 nan 8.240 nan 0.000 0.509 428 D N 1.208 121.530 120.400 -0.130 0.000 2.342 428 D HA 0.142 4.782 4.640 -0.000 0.000 0.221 428 D C -0.467 175.801 176.300 -0.054 0.000 1.101 428 D CA -0.248 53.695 54.000 -0.096 0.000 0.837 428 D CB -0.025 40.730 40.800 -0.076 0.000 0.938 428 D HN 0.341 nan 8.370 nan 0.000 0.508 429 D N -0.513 119.871 120.400 -0.026 0.000 2.408 429 D HA 0.178 4.818 4.640 -0.000 0.000 0.243 429 D C -1.799 174.555 176.300 0.090 0.000 1.075 429 D CA -2.280 51.749 54.000 0.048 0.000 0.832 429 D CB 2.310 43.176 40.800 0.110 0.000 1.162 429 D HN -0.128 nan 8.370 nan 0.000 0.515 430 P HA -0.120 nan 4.420 nan 0.000 0.217 430 P C 1.082 178.386 177.300 0.007 0.000 1.148 430 P CA 1.014 64.122 63.100 0.013 0.000 0.828 430 P CB 0.338 32.036 31.700 -0.005 0.000 0.783 431 R N -1.925 118.586 120.500 0.019 0.000 2.152 431 R HA -0.107 4.233 4.340 -0.000 0.000 0.232 431 R C 1.656 177.834 176.300 -0.203 0.000 1.117 431 R CA 1.256 57.298 56.100 -0.097 0.000 0.981 431 R CB -0.635 29.584 30.300 -0.136 0.000 0.870 431 R HN 0.317 nan 8.270 nan 0.000 0.451 432 W N -0.608 120.633 121.300 -0.099 0.000 3.278 432 W HA 0.161 4.821 4.660 -0.000 0.000 0.308 432 W C 1.352 177.808 176.519 -0.105 0.000 1.253 432 W CA -0.525 56.761 57.345 -0.100 0.000 1.759 432 W CB 0.038 29.435 29.460 -0.106 0.000 1.093 432 W HN 0.038 nan 8.180 nan 0.000 0.648 433 L N 2.323 123.586 121.223 0.066 0.000 2.012 433 L HA -0.083 4.257 4.340 -0.000 0.000 0.210 433 L C -0.668 176.173 176.870 -0.049 0.000 1.073 433 L CA 2.312 57.147 54.840 -0.008 0.000 0.748 433 L CB -1.688 40.352 42.059 -0.030 0.000 0.891 433 L HN -0.230 nan 8.230 nan 0.000 0.431 434 P HA -0.132 nan 4.420 nan 0.000 0.216 434 P C 1.612 178.861 177.300 -0.085 0.000 1.153 434 P CA 2.110 65.153 63.100 -0.096 0.000 0.848 434 P CB -0.249 31.385 31.700 -0.110 0.000 0.787 435 A N -0.692 122.092 122.820 -0.061 0.000 1.877 435 A HA -0.195 4.125 4.320 -0.000 0.000 0.216 435 A C 2.257 179.852 177.584 0.019 0.000 1.186 435 A CA 1.957 53.988 52.037 -0.009 0.000 0.620 435 A CB -1.492 17.537 19.000 0.048 0.000 0.822 435 A HN 0.088 nan 8.150 nan 0.000 0.443 436 M N -0.221 119.399 119.600 0.032 0.000 2.159 436 M HA -0.144 4.336 4.480 -0.000 0.000 0.263 436 M C 2.579 178.829 176.300 -0.085 0.000 1.063 436 M CA 1.717 57.011 55.300 -0.010 0.000 1.110 436 M CB -0.469 32.104 32.600 -0.046 0.000 1.374 436 M HN 0.658 nan 8.290 nan 0.000 0.411 437 S N 0.694 116.318 115.700 -0.127 0.000 2.365 437 S HA -0.199 4.271 4.470 -0.000 0.000 0.225 437 S C 1.683 176.120 174.600 -0.271 0.000 1.039 437 S CA 1.546 59.609 58.200 -0.229 0.000 1.033 437 S CB -0.360 62.700 63.200 -0.233 0.000 0.887 437 S HN 0.482 nan 8.310 nan 0.000 0.447 438 E N 0.733 120.821 120.200 -0.186 0.000 2.110 438 E HA -0.112 4.238 4.350 -0.000 0.000 0.193 438 E C 2.417 178.933 176.600 -0.141 0.000 0.988 438 E CA 0.916 57.214 56.400 -0.170 0.000 0.804 438 E CB -0.216 29.418 29.700 -0.110 0.000 0.745 438 E HN 0.590 nan 8.360 nan 0.000 0.458 439 R N 0.263 120.708 120.500 -0.091 0.000 2.120 439 R HA -0.086 4.254 4.340 -0.000 0.000 0.234 439 R C 2.340 178.596 176.300 -0.073 0.000 1.123 439 R CA 0.821 56.896 56.100 -0.043 0.000 0.975 439 R CB -0.031 30.279 30.300 0.017 0.000 0.866 439 R HN 0.007 nan 8.270 nan 0.000 0.446 440 V N 0.005 119.831 119.914 -0.147 0.000 2.374 440 V HA -0.168 3.952 4.120 -0.000 0.000 0.241 440 V C 2.411 178.340 176.094 -0.274 0.000 1.034 440 V CA 2.000 64.197 62.300 -0.172 0.000 1.037 440 V CB -0.304 31.414 31.823 -0.176 0.000 0.682 440 V HN 0.513 nan 8.190 nan 0.000 0.463 441 T N -0.381 113.885 114.554 -0.480 0.000 2.684 441 T HA -0.293 4.057 4.350 -0.000 0.000 0.267 441 T C 1.949 176.497 174.700 -0.253 0.000 1.036 441 T CA 1.692 63.434 62.100 -0.595 0.000 1.148 441 T CB -0.472 67.901 68.868 -0.825 0.000 0.863 441 T HN 0.394 nan 8.240 nan 0.000 0.436 442 R N 0.347 120.720 120.500 -0.212 0.000 2.096 442 R HA 0.119 4.459 4.340 -0.000 0.000 0.235 442 R C 2.697 178.920 176.300 -0.127 0.000 1.127 442 R CA 1.551 57.563 56.100 -0.147 0.000 0.968 442 R CB -0.501 29.723 30.300 -0.128 0.000 0.861 442 R HN 0.487 nan 8.270 nan 0.000 0.440 443 M N 0.652 120.183 119.600 -0.114 0.000 2.086 443 M HA -0.160 4.320 4.480 -0.000 0.000 0.261 443 M C 1.949 178.168 176.300 -0.136 0.000 1.067 443 M CA 1.662 56.919 55.300 -0.073 0.000 1.116 443 M CB 0.051 32.643 32.600 -0.015 0.000 1.348 443 M HN -0.015 nan 8.290 nan 0.000 0.407 444 V N 0.855 120.592 119.914 -0.295 0.000 2.343 444 V HA -0.305 3.815 4.120 -0.000 0.000 0.247 444 V C 2.283 178.261 176.094 -0.194 0.000 1.051 444 V CA 2.057 64.067 62.300 -0.483 0.000 1.036 444 V CB -0.922 30.589 31.823 -0.520 0.000 0.654 444 V HN 0.590 nan 8.190 nan 0.000 0.451 445 Q N -0.713 119.011 119.800 -0.128 0.000 2.181 445 Q HA -0.240 4.100 4.340 -0.000 0.000 0.205 445 Q C 2.492 178.406 176.000 -0.143 0.000 0.980 445 Q CA 1.712 57.451 55.803 -0.107 0.000 0.862 445 Q CB -0.172 28.523 28.738 -0.071 0.000 0.905 445 Q HN 0.534 nan 8.270 nan 0.000 0.429 446 R N 0.156 120.565 120.500 -0.153 0.000 2.100 446 R HA -0.085 4.255 4.340 -0.000 0.000 0.220 446 R C 0.559 176.778 176.300 -0.135 0.000 1.091 446 R CA 1.247 57.234 56.100 -0.189 0.000 0.986 446 R CB 0.414 30.607 30.300 -0.179 0.000 0.888 446 R HN 0.138 nan 8.270 nan 0.000 0.444 447 D N -0.143 120.236 120.400 -0.035 0.000 2.369 447 D HA -0.007 4.633 4.640 -0.000 0.000 0.211 447 D C 1.197 177.585 176.300 0.147 0.000 1.077 447 D CA 0.185 54.209 54.000 0.040 0.000 0.842 447 D CB 0.365 41.146 40.800 -0.033 0.000 0.947 447 D HN 0.317 nan 8.370 nan 0.000 0.509 448 R N 0.417 121.010 120.500 0.155 0.000 2.357 448 R HA 0.081 4.421 4.340 -0.000 0.000 0.202 448 R C 0.872 177.148 176.300 -0.039 0.000 1.047 448 R CA 0.849 57.052 56.100 0.171 0.000 1.034 448 R CB -0.280 30.117 30.300 0.162 0.000 0.875 448 R HN -0.112 nan 8.270 nan 0.000 0.473 449 N N 0.078 118.676 118.700 -0.169 0.000 2.280 449 N HA -0.009 4.731 4.740 -0.000 0.000 0.192 449 N C -0.527 174.827 175.510 -0.260 0.000 1.109 449 N CA 0.131 53.037 53.050 -0.239 0.000 0.855 449 N CB 0.146 38.435 38.487 -0.330 0.000 0.974 449 N HN 0.306 nan 8.380 nan 0.000 0.482 450 H N 1.721 120.700 119.070 -0.151 0.000 2.819 450 H HA 0.090 4.646 4.556 -0.000 0.000 0.303 450 H C -1.159 173.999 175.328 -0.283 0.000 1.058 450 H CA -1.121 54.820 56.048 -0.177 0.000 1.471 450 H CB 1.459 31.146 29.762 -0.125 0.000 1.480 450 H HN 0.065 nan 8.280 nan 0.000 0.517 451 P HA -0.152 nan 4.420 nan 0.000 0.218 451 P C 1.352 178.199 177.300 -0.755 0.000 1.149 451 P CA 1.161 63.904 63.100 -0.594 0.000 0.817 451 P CB 0.267 31.393 31.700 -0.958 0.000 0.785 452 S N -1.243 114.089 115.700 -0.613 0.000 2.481 452 S HA 0.001 4.471 4.470 -0.000 0.000 0.231 452 S C 1.022 175.593 174.600 -0.050 0.000 0.996 452 S CA 0.062 58.082 58.200 -0.299 0.000 0.942 452 S CB -1.229 61.948 63.200 -0.038 0.000 0.768 452 S HN -0.081 nan 8.310 nan 0.000 0.520 453 V N 3.510 123.355 119.914 -0.115 0.000 2.427 453 V HA 0.268 4.388 4.120 -0.000 0.000 0.268 453 V C 1.023 176.975 176.094 -0.237 0.000 1.046 453 V CA -0.131 62.071 62.300 -0.163 0.000 0.970 453 V CB 0.547 32.176 31.823 -0.323 0.000 1.001 453 V HN 0.628 nan 8.190 nan 0.000 0.476 454 I N 2.686 123.168 120.570 -0.148 0.000 4.288 454 I HA 0.511 4.681 4.170 -0.000 0.000 0.331 454 I C 0.321 176.320 176.117 -0.197 0.000 1.322 454 I CA 0.394 61.613 61.300 -0.134 0.000 1.149 454 I CB 0.480 38.479 38.000 -0.000 0.000 1.112 454 I HN 0.308 nan 8.210 nan 0.000 0.403 455 I N 0.067 120.500 120.570 -0.228 0.000 2.802 455 I HA 0.381 4.551 4.170 -0.000 0.000 0.298 455 I C -1.559 174.443 176.117 -0.193 0.000 1.176 455 I CA -0.432 60.767 61.300 -0.168 0.000 1.025 455 I CB 2.246 40.243 38.000 -0.005 0.000 1.243 455 I HN 0.014 nan 8.210 nan 0.000 0.424 456 W N 3.392 124.736 121.300 0.073 0.000 2.496 456 W HA 0.637 5.297 4.660 -0.000 0.000 0.327 456 W C 0.282 176.860 176.519 0.099 0.000 1.086 456 W CA -0.680 56.714 57.345 0.081 0.000 1.222 456 W CB 1.798 31.300 29.460 0.070 0.000 1.304 456 W HN 0.306 nan 8.180 nan 0.000 0.547 457 S N 2.636 118.564 115.700 0.380 0.000 2.521 457 S HA 0.411 4.881 4.470 -0.000 0.000 0.295 457 S C 0.143 174.903 174.600 0.267 0.000 1.098 457 S CA -0.698 57.669 58.200 0.279 0.000 0.999 457 S CB 0.853 64.170 63.200 0.195 0.000 1.034 457 S HN 0.581 nan 8.310 nan 0.000 0.483 458 L N 4.033 125.408 121.223 0.254 0.000 2.599 458 L HA 0.376 4.716 4.340 -0.000 0.000 0.230 458 L C 1.357 178.301 176.870 0.122 0.000 1.141 458 L CA 0.465 55.386 54.840 0.135 0.000 0.877 458 L CB -0.991 41.055 42.059 -0.022 0.000 1.009 458 L HN 0.977 nan 8.230 nan 0.000 0.447 459 G N -0.104 108.838 108.800 0.237 0.000 2.270 459 G HA2 -0.089 3.871 3.960 -0.000 0.000 0.268 459 G HA3 -0.089 3.871 3.960 -0.000 0.000 0.268 459 G C -1.783 173.289 174.900 0.286 0.000 1.312 459 G CA -0.649 44.589 45.100 0.230 0.000 1.050 459 G HN 0.140 nan 8.290 nan 0.000 0.474 460 N N -0.111 118.702 118.700 0.188 0.000 2.405 460 N HA 0.472 5.212 4.740 -0.000 0.000 0.274 460 N C -0.430 175.038 175.510 -0.070 0.000 1.170 460 N CA -0.022 53.004 53.050 -0.040 0.000 0.848 460 N CB 1.665 39.860 38.487 -0.486 0.000 1.629 460 N HN 0.846 nan 8.380 nan 0.000 0.481 461 E N 0.441 120.507 120.200 -0.224 0.000 2.106 461 E HA -0.192 4.158 4.350 -0.000 0.000 0.175 461 E C -0.762 175.756 176.600 -0.137 0.000 1.448 461 E CA 0.724 56.921 56.400 -0.338 0.000 0.672 461 E CB -1.252 27.971 29.700 -0.794 0.000 1.057 461 E HN 0.391 nan 8.360 nan 0.000 0.321 462 S N 0.053 115.818 115.700 0.108 0.000 2.843 462 S HA 0.392 4.862 4.470 -0.000 0.000 0.249 462 S C 0.730 175.493 174.600 0.272 0.000 1.047 462 S CA -0.167 58.148 58.200 0.192 0.000 1.042 462 S CB 1.324 64.694 63.200 0.283 0.000 0.936 462 S HN 0.829 nan 8.310 nan 0.000 0.531 463 G N 2.039 110.938 108.800 0.165 0.000 2.578 463 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.275 463 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.275 463 G C -0.479 174.630 174.900 0.348 0.000 1.271 463 G CA -0.030 45.169 45.100 0.165 0.000 0.941 463 G HN 0.628 nan 8.290 nan 0.000 0.564 464 H N 0.598 119.787 119.070 0.199 0.000 2.823 464 H HA 0.584 5.140 4.556 -0.000 0.000 0.332 464 H C 0.242 175.741 175.328 0.286 0.000 0.980 464 H CA 0.071 56.275 56.048 0.259 0.000 1.286 464 H CB 0.841 30.685 29.762 0.137 0.000 1.541 464 H HN 1.140 nan 8.280 nan 0.000 0.521 465 G N 1.414 110.218 108.800 0.006 0.000 2.730 465 G HA2 0.452 4.412 3.960 -0.000 0.000 0.289 465 G HA3 0.452 4.412 3.960 -0.000 0.000 0.289 465 G C 0.476 175.203 174.900 -0.287 0.000 1.341 465 G CA -0.158 44.797 45.100 -0.241 0.000 0.932 465 G HN 0.648 nan 8.290 nan 0.000 0.481 466 A N 0.089 122.794 122.820 -0.191 0.000 2.024 466 A HA -0.089 4.231 4.320 -0.000 0.000 0.220 466 A C 2.092 179.639 177.584 -0.060 0.000 1.164 466 A CA 1.929 53.908 52.037 -0.096 0.000 0.643 466 A CB -0.432 18.536 19.000 -0.052 0.000 0.806 466 A HN 0.515 nan 8.150 nan 0.000 0.451 467 N N -0.341 118.282 118.700 -0.128 0.000 2.223 467 N HA -0.135 4.604 4.740 -0.000 0.000 0.185 467 N C 1.393 176.840 175.510 -0.106 0.000 1.016 467 N CA 1.650 54.617 53.050 -0.138 0.000 0.863 467 N CB -0.619 37.739 38.487 -0.215 0.000 0.983 467 N HN 0.792 nan 8.380 nan 0.000 0.429 468 H N 0.259 119.286 119.070 -0.072 0.000 2.326 468 H HA -0.026 4.530 4.556 -0.000 0.000 0.301 468 H C 1.232 176.609 175.328 0.082 0.000 1.081 468 H CA 1.248 57.266 56.048 -0.049 0.000 1.334 468 H CB 0.165 29.888 29.762 -0.065 0.000 1.385 468 H HN 0.173 nan 8.280 nan 0.000 0.504 469 D N 0.485 121.029 120.400 0.240 0.000 2.123 469 D HA -0.148 4.492 4.640 -0.000 0.000 0.196 469 D C 2.304 178.750 176.300 0.244 0.000 0.992 469 D CA 1.230 55.370 54.000 0.234 0.000 0.833 469 D CB -0.506 40.403 40.800 0.181 0.000 0.954 469 D HN 0.426 nan 8.370 nan 0.000 0.455 470 A N 0.694 123.608 122.820 0.156 0.000 1.902 470 A HA -0.128 4.192 4.320 -0.000 0.000 0.217 470 A C 2.402 180.094 177.584 0.180 0.000 1.181 470 A CA 1.005 53.126 52.037 0.141 0.000 0.623 470 A CB -0.730 18.312 19.000 0.070 0.000 0.818 470 A HN 0.217 nan 8.150 nan 0.000 0.443 471 L N -2.280 119.039 121.223 0.160 0.000 2.179 471 L HA -0.111 4.229 4.340 -0.000 0.000 0.208 471 L C 2.547 179.566 176.870 0.247 0.000 1.096 471 L CA 1.344 56.284 54.840 0.167 0.000 0.779 471 L CB -0.646 41.447 42.059 0.057 0.000 0.922 471 L HN 0.596 nan 8.230 nan 0.000 0.443 472 Y N 0.827 121.208 120.300 0.135 0.000 2.128 472 Y HA -0.255 4.295 4.550 -0.000 0.000 0.284 472 Y C 2.846 178.821 175.900 0.125 0.000 1.154 472 Y CA 1.473 59.653 58.100 0.132 0.000 1.149 472 Y CB -0.161 38.377 38.460 0.131 0.000 0.976 472 Y HN -0.076 nan 8.280 nan 0.000 0.505 473 R N -0.020 120.581 120.500 0.169 0.000 2.096 473 R HA -0.228 4.112 4.340 -0.000 0.000 0.235 473 R C 2.069 178.361 176.300 -0.013 0.000 1.127 473 R CA 1.820 57.937 56.100 0.029 0.000 0.968 473 R CB -1.582 28.823 30.300 0.176 0.000 0.861 473 R HN 0.680 nan 8.270 nan 0.000 0.440 474 W N 1.018 122.273 121.300 -0.075 0.000 2.355 474 W HA -0.143 4.517 4.660 -0.000 0.000 0.309 474 W C 1.838 178.266 176.519 -0.152 0.000 1.206 474 W CA 1.568 58.857 57.345 -0.094 0.000 1.284 474 W CB -0.314 29.096 29.460 -0.084 0.000 1.145 474 W HN -0.017 nan 8.180 nan 0.000 0.502 475 I N 0.835 121.372 120.570 -0.055 0.000 2.226 475 I HA -0.325 3.845 4.170 -0.000 0.000 0.245 475 I C 2.357 178.247 176.117 -0.379 0.000 1.100 475 I CA 1.279 62.384 61.300 -0.325 0.000 1.374 475 I CB -0.825 37.069 38.000 -0.177 0.000 1.057 475 I HN -0.093 nan 8.210 nan 0.000 0.413 476 K N 0.901 121.097 120.400 -0.340 0.000 2.152 476 K HA -0.095 4.225 4.320 -0.000 0.000 0.206 476 K C 2.217 178.665 176.600 -0.254 0.000 1.048 476 K CA 1.333 57.444 56.287 -0.292 0.000 0.933 476 K CB -0.410 31.887 32.500 -0.338 0.000 0.721 476 K HN 0.302 nan 8.250 nan 0.000 0.447 477 S N 0.529 116.040 115.700 -0.316 0.000 2.395 477 S HA -0.032 4.438 4.470 -0.000 0.000 0.225 477 S C 2.168 176.546 174.600 -0.371 0.000 1.027 477 S CA 0.622 58.645 58.200 -0.295 0.000 0.965 477 S CB -0.026 63.009 63.200 -0.276 0.000 0.812 477 S HN -0.016 nan 8.310 nan 0.000 0.482 478 V N 1.265 120.818 119.914 -0.602 0.000 2.649 478 V HA 0.065 4.185 4.120 -0.000 0.000 0.248 478 V C 0.308 176.171 176.094 -0.386 0.000 1.054 478 V CA 1.159 63.097 62.300 -0.603 0.000 1.073 478 V CB -0.123 31.008 31.823 -1.153 0.000 0.699 478 V HN 0.368 nan 8.190 nan 0.000 0.463 479 D N -0.884 119.330 120.400 -0.309 0.000 2.364 479 D HA 0.248 4.888 4.640 -0.000 0.000 0.251 479 D C -2.169 174.118 176.300 -0.021 0.000 1.282 479 D CA -1.553 52.381 54.000 -0.110 0.000 0.927 479 D CB 1.686 42.513 40.800 0.045 0.000 1.267 479 D HN 0.087 nan 8.370 nan 0.000 0.531 480 P HA -0.009 nan 4.420 nan 0.000 0.241 480 P C 1.030 178.344 177.300 0.022 0.000 1.191 480 P CA 0.345 63.433 63.100 -0.020 0.000 0.771 480 P CB 0.158 31.839 31.700 -0.033 0.000 0.929 481 S N -1.244 114.479 115.700 0.038 0.000 2.561 481 S HA 0.080 4.550 4.470 -0.000 0.000 0.225 481 S C 0.876 175.496 174.600 0.034 0.000 0.977 481 S CA -0.097 58.130 58.200 0.044 0.000 0.926 481 S CB -0.358 62.864 63.200 0.035 0.000 0.769 481 S HN 0.079 nan 8.310 nan 0.000 0.533 482 R N 1.010 121.542 120.500 0.053 0.000 2.673 482 R HA 0.550 4.890 4.340 -0.000 0.000 0.281 482 R C -3.235 173.105 176.300 0.068 0.000 0.991 482 R CA -2.177 53.919 56.100 -0.006 0.000 0.896 482 R CB 1.583 31.767 30.300 -0.193 0.000 1.201 482 R HN 0.129 nan 8.270 nan 0.000 0.457 483 P HA 0.169 nan 4.420 nan 0.000 0.274 483 P C -0.789 176.609 177.300 0.163 0.000 1.246 483 P CA -0.477 62.680 63.100 0.094 0.000 0.795 483 P CB 0.723 32.465 31.700 0.070 0.000 1.006 484 V N 1.624 121.665 119.914 0.211 0.000 2.555 484 V HA 0.455 4.575 4.120 -0.000 0.000 0.302 484 V C 0.185 176.454 176.094 0.291 0.000 1.038 484 V CA -0.354 62.121 62.300 0.292 0.000 0.887 484 V CB 1.278 33.273 31.823 0.288 0.000 0.991 484 V HN 0.648 nan 8.190 nan 0.000 0.434 485 Q N 3.461 123.416 119.800 0.258 0.000 2.451 485 Q HA 0.800 5.140 4.340 -0.000 0.000 0.281 485 Q C -1.881 174.267 176.000 0.246 0.000 1.099 485 Q CA -0.942 54.977 55.803 0.194 0.000 0.806 485 Q CB 2.972 31.772 28.738 0.104 0.000 1.419 485 Q HN 0.661 nan 8.270 nan 0.000 0.427 486 Y N 0.340 120.642 120.300 0.004 0.000 2.314 486 Y HA 0.139 4.689 4.550 -0.000 0.000 0.317 486 Y C -0.506 175.330 175.900 -0.107 0.000 1.234 486 Y CA -0.666 57.404 58.100 -0.049 0.000 1.111 486 Y CB 1.969 40.389 38.460 -0.066 0.000 1.283 486 Y HN 0.963 nan 8.280 nan 0.000 0.418 487 E N 3.495 123.239 120.200 -0.759 0.000 2.299 487 E HA 0.109 4.459 4.350 -0.000 0.000 0.193 487 E C 0.712 176.856 176.600 -0.760 0.000 0.998 487 E CA 0.748 56.778 56.400 -0.617 0.000 0.851 487 E CB 0.238 29.686 29.700 -0.420 0.000 0.795 487 E HN 0.888 nan 8.360 nan 0.000 0.492 488 G N -0.190 107.737 108.800 -1.454 0.000 2.559 488 G HA2 0.223 4.183 3.960 -0.000 0.000 0.235 488 G HA3 0.223 4.183 3.960 -0.000 0.000 0.235 488 G C 0.772 175.509 174.900 -0.271 0.000 1.266 488 G CA 0.257 44.913 45.100 -0.739 0.000 0.847 488 G HN 0.328 nan 8.290 nan 0.000 0.583 489 G N -0.646 108.101 108.800 -0.088 0.000 2.198 489 G HA2 0.228 4.188 3.960 -0.000 0.000 0.260 489 G HA3 0.228 4.188 3.960 -0.000 0.000 0.260 489 G C 1.267 176.157 174.900 -0.016 0.000 1.025 489 G CA 1.034 46.145 45.100 0.019 0.000 0.769 489 G HN 2.600 nan 8.290 nan 0.000 0.507 490 G N -1.680 107.104 108.800 -0.027 0.000 2.229 490 G HA2 0.418 4.378 3.960 -0.000 0.000 0.189 490 G HA3 0.418 4.378 3.960 -0.000 0.000 0.189 490 G C 1.071 176.057 174.900 0.144 0.000 1.000 490 G CA 1.326 46.467 45.100 0.068 0.000 0.663 490 G HN 2.348 nan 8.290 nan 0.000 0.493 491 A N -0.184 122.614 122.820 -0.037 0.000 3.413 491 A HA -0.103 4.217 4.320 -0.000 0.000 0.268 491 A C 1.116 178.633 177.584 -0.111 0.000 1.128 491 A CA 2.660 54.625 52.037 -0.120 0.000 1.062 491 A CB -1.804 17.107 19.000 -0.150 0.000 1.121 491 A HN 2.131 nan 8.150 nan 0.000 0.895 492 D N -1.118 119.287 120.400 0.008 0.000 2.636 492 D HA 0.285 4.925 4.640 -0.000 0.000 0.270 492 D C 0.461 176.744 176.300 -0.027 0.000 1.430 492 D CA 0.903 54.917 54.000 0.023 0.000 0.796 492 D CB -1.173 39.771 40.800 0.241 0.000 1.117 492 D HN 0.863 nan 8.370 nan 0.000 0.480 493 T N -2.067 112.406 114.554 -0.136 0.000 2.652 493 T HA 0.153 4.503 4.350 -0.000 0.000 0.319 493 T C 1.622 176.186 174.700 -0.227 0.000 1.029 493 T CA 0.665 62.614 62.100 -0.251 0.000 0.990 493 T CB 0.694 69.190 68.868 -0.619 0.000 1.098 493 T HN 0.085 nan 8.240 nan 0.000 0.520 494 T N -2.345 112.061 114.554 -0.248 0.000 3.113 494 T HA 0.211 4.561 4.350 -0.000 0.000 0.263 494 T C 1.666 176.087 174.700 -0.466 0.000 1.143 494 T CA 0.359 62.321 62.100 -0.230 0.000 1.090 494 T CB -0.478 68.329 68.868 -0.101 0.000 0.922 494 T HN 0.828 nan 8.240 nan 0.000 0.521 495 A N 0.469 123.041 122.820 -0.413 0.000 2.379 495 A HA 0.480 4.800 4.320 -0.000 0.000 0.236 495 A C 0.929 178.302 177.584 -0.352 0.000 1.272 495 A CA -0.169 51.570 52.037 -0.496 0.000 0.886 495 A CB 0.023 19.010 19.000 -0.023 0.000 0.962 495 A HN 0.433 nan 8.150 nan 0.000 0.504 496 T N -1.542 112.851 114.554 -0.269 0.000 2.912 496 T HA 0.393 4.743 4.350 -0.000 0.000 0.299 496 T C -0.592 174.122 174.700 0.025 0.000 1.052 496 T CA -0.453 61.637 62.100 -0.017 0.000 0.996 496 T CB 1.328 70.185 68.868 -0.018 0.000 1.070 496 T HN 0.066 nan 8.240 nan 0.000 0.465 497 D N 2.663 123.155 120.400 0.153 0.000 2.354 497 D HA 0.298 4.938 4.640 -0.000 0.000 0.209 497 D C 0.266 176.594 176.300 0.047 0.000 1.015 497 D CA 0.658 54.736 54.000 0.131 0.000 0.867 497 D CB 0.393 41.299 40.800 0.176 0.000 0.933 497 D HN 0.529 nan 8.370 nan 0.000 0.520 498 I N 0.804 121.382 120.570 0.013 0.000 2.582 498 I HA 0.259 4.429 4.170 -0.000 0.000 0.292 498 I C -0.304 175.746 176.117 -0.111 0.000 1.066 498 I CA -0.906 60.367 61.300 -0.044 0.000 1.053 498 I CB 2.937 40.922 38.000 -0.025 0.000 1.241 498 I HN -0.356 nan 8.210 nan 0.000 0.421 499 I N 5.436 125.894 120.570 -0.185 0.000 2.436 499 I HA 0.082 4.252 4.170 -0.000 0.000 0.289 499 I C 0.028 175.937 176.117 -0.346 0.000 1.083 499 I CA -0.044 61.056 61.300 -0.333 0.000 1.372 499 I CB 0.164 37.863 38.000 -0.502 0.000 1.408 499 I HN 0.653 nan 8.210 nan 0.000 0.516 500 C N 5.529 124.641 119.300 -0.314 0.000 3.414 500 C HA 0.480 4.940 4.460 -0.000 0.000 0.208 500 C C -2.224 172.621 174.990 -0.243 0.000 1.422 500 C CA -2.288 56.590 59.018 -0.234 0.000 1.437 500 C CB -0.874 26.786 27.740 -0.132 0.000 1.850 500 C HN 0.401 nan 8.230 nan 0.000 0.481 501 P HA 0.381 nan 4.420 nan 0.000 0.275 501 P C -0.466 176.765 177.300 -0.115 0.000 1.266 501 P CA 0.128 63.113 63.100 -0.192 0.000 0.793 501 P CB 0.684 32.281 31.700 -0.172 0.000 1.074 502 M N -0.429 119.130 119.600 -0.069 0.000 2.197 502 M HA 0.475 4.955 4.480 -0.000 0.000 0.301 502 M C -0.985 175.273 176.300 -0.071 0.000 0.987 502 M CA -0.651 54.516 55.300 -0.221 0.000 0.921 502 M CB 1.527 33.966 32.600 -0.268 0.000 1.569 502 M HN 0.341 nan 8.290 nan 0.000 0.431 503 Y N -0.303 120.143 120.300 0.243 0.000 4.569 503 Y HA -0.201 4.349 4.550 -0.000 0.000 0.237 503 Y C 0.448 176.500 175.900 0.253 0.000 1.090 503 Y CA 0.436 58.680 58.100 0.240 0.000 2.052 503 Y CB -2.270 36.295 38.460 0.175 0.000 1.621 503 Y HN 0.994 nan 8.280 nan 0.000 0.682 504 A N 1.221 124.235 122.820 0.324 0.000 2.425 504 A HA 0.606 4.926 4.320 -0.000 0.000 0.249 504 A C 0.723 178.501 177.584 0.323 0.000 1.084 504 A CA -0.470 51.764 52.037 0.329 0.000 0.781 504 A CB 0.423 19.651 19.000 0.381 0.000 1.019 504 A HN 0.405 nan 8.150 nan 0.000 0.490 505 R N 1.373 122.000 120.500 0.211 0.000 2.546 505 R HA 0.333 4.673 4.340 -0.000 0.000 0.266 505 R C 0.952 177.224 176.300 -0.048 0.000 1.086 505 R CA -0.753 55.411 56.100 0.106 0.000 1.160 505 R CB 0.539 30.873 30.300 0.057 0.000 1.138 505 R HN 0.469 nan 8.270 nan 0.000 0.567 506 V N 0.631 120.369 119.914 -0.292 0.000 2.283 506 V HA -0.191 3.929 4.120 -0.000 0.000 0.243 506 V C 0.929 176.906 176.094 -0.194 0.000 1.039 506 V CA 1.877 63.956 62.300 -0.368 0.000 1.016 506 V CB -0.248 31.240 31.823 -0.559 0.000 0.650 506 V HN 0.751 nan 8.190 nan 0.000 0.449 507 D N -1.587 118.731 120.400 -0.136 0.000 2.479 507 D HA 0.156 4.796 4.640 -0.000 0.000 0.216 507 D C 0.649 176.928 176.300 -0.035 0.000 1.110 507 D CA 0.065 54.017 54.000 -0.080 0.000 0.841 507 D CB 0.839 41.596 40.800 -0.071 0.000 1.040 507 D HN 0.482 nan 8.370 nan 0.000 0.505 508 E N 1.221 121.407 120.200 -0.024 0.000 2.242 508 E HA 0.223 4.573 4.350 -0.000 0.000 0.275 508 E C -0.805 175.796 176.600 0.001 0.000 1.002 508 E CA -0.582 55.813 56.400 -0.010 0.000 0.841 508 E CB 1.501 31.194 29.700 -0.011 0.000 1.109 508 E HN -0.122 nan 8.360 nan 0.000 0.394 509 D N 1.957 122.353 120.400 -0.005 0.000 2.193 509 D HA 0.175 4.815 4.640 -0.000 0.000 0.249 509 D C -0.646 175.553 176.300 -0.169 0.000 1.034 509 D CA -0.165 53.825 54.000 -0.017 0.000 0.902 509 D CB 1.184 42.038 40.800 0.089 0.000 1.182 509 D HN 0.236 nan 8.370 nan 0.000 0.436 510 Q N 1.688 121.274 119.800 -0.357 0.000 2.616 510 Q HA 0.275 4.615 4.340 -0.000 0.000 0.250 510 Q C -2.313 173.041 176.000 -1.077 0.000 0.991 510 Q CA -1.607 53.790 55.803 -0.676 0.000 0.707 510 Q CB 2.528 30.866 28.738 -0.666 0.000 1.247 510 Q HN 0.138 nan 8.270 nan 0.000 0.491 511 P HA 0.084 nan 4.420 nan 0.000 0.214 511 P C -0.773 176.204 177.300 -0.537 0.000 1.826 511 P CA -0.168 62.516 63.100 -0.694 0.000 0.977 511 P CB -0.523 30.966 31.700 -0.352 0.000 1.930 512 F N 2.613 122.416 119.950 -0.244 0.000 2.459 512 F HA 0.243 4.770 4.527 -0.000 0.000 0.346 512 F C -1.168 174.526 175.800 -0.175 0.000 1.128 512 F CA -2.565 55.336 58.000 -0.166 0.000 1.268 512 F CB -0.347 38.569 39.000 -0.140 0.000 1.161 512 F HN 0.073 nan 8.300 nan 0.000 0.583 513 P HA 0.076 nan 4.420 nan 0.000 0.268 513 P C 0.321 177.637 177.300 0.026 0.000 1.204 513 P CA 0.858 63.976 63.100 0.029 0.000 0.768 513 P CB 1.177 32.894 31.700 0.029 0.000 0.842 514 A N 3.009 125.831 122.820 0.004 0.000 2.617 514 A HA -0.253 4.067 4.320 -0.000 0.000 0.236 514 A C 0.722 178.306 177.584 -0.001 0.000 0.514 514 A CA 2.089 54.131 52.037 0.008 0.000 1.126 514 A CB -2.699 16.309 19.000 0.013 0.000 1.393 514 A HN 0.716 nan 8.150 nan 0.000 0.693 515 V N -3.222 116.692 119.914 -0.000 0.000 2.502 515 V HA 0.567 4.687 4.120 -0.000 0.000 0.261 515 V C -2.434 173.658 176.094 -0.004 0.000 0.996 515 V CA -1.205 61.093 62.300 -0.003 0.000 1.095 515 V CB 0.751 32.580 31.823 0.011 0.000 1.325 515 V HN 0.479 nan 8.190 nan 0.000 0.574 516 P HA 0.351 nan 4.420 nan 0.000 0.274 516 P C -0.755 176.098 177.300 -0.744 0.000 1.246 516 P CA -0.022 62.715 63.100 -0.606 0.000 0.795 516 P CB 1.055 31.982 31.700 -1.287 0.000 1.006 517 K N 1.650 121.620 120.400 -0.717 0.000 2.521 517 K HA 0.252 4.572 4.320 -0.000 0.000 0.248 517 K C -0.529 175.752 176.600 -0.532 0.000 0.978 517 K CA -0.282 55.747 56.287 -0.430 0.000 0.947 517 K CB 0.719 33.267 32.500 0.080 0.000 1.165 517 K HN 0.473 nan 8.250 nan 0.000 0.445 518 W N 1.390 122.376 121.300 -0.523 0.000 2.129 518 W HA 0.078 4.738 4.660 -0.000 0.000 0.349 518 W C 1.303 177.815 176.519 -0.012 0.000 1.279 518 W CA -0.684 56.451 57.345 -0.349 0.000 1.306 518 W CB 0.556 29.632 29.460 -0.640 0.000 1.140 518 W HN 0.409 nan 8.180 nan 0.000 0.613 519 S N 3.075 118.928 115.700 0.255 0.000 2.552 519 S HA -0.071 4.399 4.470 -0.000 0.000 0.289 519 S C 1.149 175.887 174.600 0.229 0.000 1.304 519 S CA -0.293 58.000 58.200 0.155 0.000 1.063 519 S CB 0.146 63.380 63.200 0.056 0.000 0.848 519 S HN 0.522 nan 8.310 nan 0.000 0.499 520 I N 2.348 123.021 120.570 0.172 0.000 2.454 520 I HA -0.157 4.013 4.170 -0.000 0.000 0.254 520 I C 1.834 177.968 176.117 0.028 0.000 1.156 520 I CA 1.146 62.550 61.300 0.174 0.000 1.433 520 I CB -0.494 37.548 38.000 0.071 0.000 1.082 520 I HN 0.625 nan 8.210 nan 0.000 0.432 521 K N 2.053 122.375 120.400 -0.129 0.000 2.155 521 K HA -0.150 4.170 4.320 -0.000 0.000 0.203 521 K C 2.154 178.731 176.600 -0.039 0.000 1.052 521 K CA 1.522 57.653 56.287 -0.261 0.000 0.948 521 K CB -0.281 31.969 32.500 -0.417 0.000 0.728 521 K HN 0.451 nan 8.250 nan 0.000 0.448 522 K N 0.589 120.993 120.400 0.006 0.000 2.167 522 K HA -0.134 4.186 4.320 -0.000 0.000 0.203 522 K C 1.866 178.464 176.600 -0.003 0.000 1.052 522 K CA 0.511 56.785 56.287 -0.022 0.000 0.956 522 K CB -0.060 32.393 32.500 -0.078 0.000 0.735 522 K HN 0.169 nan 8.250 nan 0.000 0.451 523 W N 2.022 123.280 121.300 -0.072 0.000 2.342 523 W HA -0.175 4.484 4.660 -0.000 0.000 0.297 523 W C 1.453 177.936 176.519 -0.061 0.000 1.213 523 W CA 1.200 58.514 57.345 -0.052 0.000 1.251 523 W CB -0.406 29.115 29.460 0.102 0.000 1.136 523 W HN 0.108 nan 8.180 nan 0.000 0.526 524 L N 0.765 122.138 121.223 0.251 0.000 2.191 524 L HA -0.211 4.129 4.340 -0.000 0.000 0.212 524 L C 2.478 179.405 176.870 0.095 0.000 1.103 524 L CA 1.771 56.696 54.840 0.142 0.000 0.769 524 L CB -0.980 41.142 42.059 0.106 0.000 0.908 524 L HN -0.031 nan 8.230 nan 0.000 0.438 525 S N -0.929 114.806 115.700 0.058 0.000 2.575 525 S HA 0.158 4.628 4.470 -0.000 0.000 0.215 525 S C 0.766 175.343 174.600 -0.038 0.000 0.966 525 S CA -0.464 57.743 58.200 0.011 0.000 0.911 525 S CB -0.431 62.771 63.200 0.003 0.000 0.780 525 S HN 0.187 nan 8.310 nan 0.000 0.514 526 L N 2.146 123.333 121.223 -0.060 0.000 2.506 526 L HA 0.241 4.581 4.340 -0.000 0.000 0.281 526 L C -2.235 174.601 176.870 -0.056 0.000 1.228 526 L CA -1.727 53.038 54.840 -0.124 0.000 0.850 526 L CB -0.431 41.518 42.059 -0.184 0.000 1.110 526 L HN 0.039 nan 8.230 nan 0.000 0.496 527 P HA -0.000 nan 4.420 nan 0.000 0.260 527 P C 0.795 178.086 177.300 -0.015 0.000 1.185 527 P CA 0.915 63.991 63.100 -0.040 0.000 0.763 527 P CB 0.570 32.241 31.700 -0.048 0.000 0.776 528 G N 1.986 110.783 108.800 -0.004 0.000 2.199 528 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.254 528 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.254 528 G C 0.254 175.167 174.900 0.022 0.000 0.982 528 G CA 0.000 45.106 45.100 0.009 0.000 0.632 528 G HN 0.605 nan 8.290 nan 0.000 0.529 529 E N 1.136 121.354 120.200 0.031 0.000 2.338 529 E HA 0.587 4.937 4.350 -0.000 0.000 0.272 529 E C 1.377 177.999 176.600 0.037 0.000 1.029 529 E CA 0.641 57.071 56.400 0.051 0.000 0.872 529 E CB 0.836 30.593 29.700 0.095 0.000 1.015 529 E HN 0.561 nan 8.360 nan 0.000 0.417 530 T N 0.627 115.199 114.554 0.030 0.000 3.087 530 T HA 0.332 4.682 4.350 -0.000 0.000 0.283 530 T C 0.602 175.309 174.700 0.011 0.000 0.956 530 T CA -0.435 61.677 62.100 0.020 0.000 0.894 530 T CB 0.108 68.987 68.868 0.019 0.000 1.160 530 T HN 0.243 nan 8.240 nan 0.000 0.532 531 R N 2.168 122.670 120.500 0.004 0.000 2.707 531 R HA 0.469 4.809 4.340 -0.000 0.000 0.270 531 R C -2.542 173.736 176.300 -0.036 0.000 1.083 531 R CA -1.735 54.357 56.100 -0.015 0.000 1.182 531 R CB 0.038 30.322 30.300 -0.027 0.000 1.084 531 R HN 0.228 nan 8.270 nan 0.000 0.528 532 P HA 0.135 nan 4.420 nan 0.000 0.276 532 P C -1.118 176.110 177.300 -0.119 0.000 1.252 532 P CA -0.229 62.828 63.100 -0.072 0.000 0.802 532 P CB 0.660 32.318 31.700 -0.070 0.000 1.035 533 L N 2.057 123.190 121.223 -0.150 0.000 2.376 533 L HA 0.583 4.923 4.340 -0.000 0.000 0.275 533 L C -1.169 175.563 176.870 -0.232 0.000 0.987 533 L CA -0.566 54.146 54.840 -0.213 0.000 0.828 533 L CB 0.638 42.562 42.059 -0.225 0.000 1.249 533 L HN 0.222 nan 8.230 nan 0.000 0.409 534 I N 5.743 126.180 120.570 -0.221 0.000 2.500 534 I HA 0.264 4.434 4.170 -0.000 0.000 0.286 534 I C -0.790 175.234 176.117 -0.154 0.000 1.063 534 I CA -0.557 60.606 61.300 -0.229 0.000 1.062 534 I CB 2.041 39.961 38.000 -0.134 0.000 1.223 534 I HN 0.482 nan 8.210 nan 0.000 0.435 535 L N 5.669 126.773 121.223 -0.198 0.000 2.410 535 L HA 0.052 4.392 4.340 -0.000 0.000 0.273 535 L C 1.501 178.440 176.870 0.115 0.000 1.144 535 L CA -0.184 54.601 54.840 -0.092 0.000 0.863 535 L CB 0.735 42.708 42.059 -0.143 0.000 1.140 535 L HN 0.870 nan 8.230 nan 0.000 0.463 536 C N 0.603 119.948 119.300 0.075 0.000 2.446 536 C HA 0.096 4.556 4.460 -0.000 0.000 0.279 536 C C 0.647 175.756 174.990 0.200 0.000 1.366 536 C CA -0.080 59.015 59.018 0.128 0.000 1.763 536 C CB -0.984 26.744 27.740 -0.021 0.000 1.929 536 C HN 0.825 nan 8.230 nan 0.000 0.509 537 E N -0.827 119.421 120.200 0.081 0.000 2.304 537 E HA 0.608 4.958 4.350 -0.000 0.000 0.277 537 E C -1.302 175.250 176.600 -0.081 0.000 0.898 537 E CA -0.397 56.045 56.400 0.070 0.000 0.764 537 E CB 1.834 31.413 29.700 -0.202 0.000 1.216 537 E HN 0.693 nan 8.360 nan 0.000 0.419 538 Y N -0.914 119.377 120.300 -0.014 0.000 2.670 538 Y HA 0.668 5.218 4.550 -0.000 0.000 0.334 538 Y C -0.594 175.474 175.900 0.280 0.000 1.185 538 Y CA -0.997 57.106 58.100 0.004 0.000 1.053 538 Y CB 1.023 39.365 38.460 -0.197 0.000 1.298 538 Y HN 0.653 nan 8.280 nan 0.000 0.459 539 A N 1.929 124.810 122.820 0.101 0.000 2.303 539 A HA -0.270 4.050 4.320 -0.000 0.000 0.286 539 A C -0.355 177.362 177.584 0.222 0.000 1.429 539 A CA 1.039 53.128 52.037 0.086 0.000 0.738 539 A CB -2.495 16.419 19.000 -0.144 0.000 1.149 539 A HN 1.058 nan 8.150 nan 0.000 0.364 540 H N 0.862 120.085 119.070 0.255 0.000 3.226 540 H HA 0.224 4.780 4.556 -0.000 0.000 0.260 540 H C 1.227 176.624 175.328 0.115 0.000 0.967 540 H CA 0.794 57.002 56.048 0.267 0.000 1.435 540 H CB 0.347 30.145 29.762 0.060 0.000 1.533 540 H HN 0.816 nan 8.280 nan 0.000 0.525 541 A N 6.442 129.197 122.820 -0.107 0.000 2.426 541 A HA 0.019 4.339 4.320 -0.000 0.000 0.247 541 A C 0.987 178.441 177.584 -0.216 0.000 1.389 541 A CA -0.291 51.646 52.037 -0.166 0.000 1.129 541 A CB -0.672 18.212 19.000 -0.194 0.000 0.928 541 A HN 0.793 nan 8.150 nan 0.000 0.557 542 M N 1.347 120.808 119.600 -0.232 0.000 2.156 542 M HA 0.432 4.912 4.480 -0.000 0.000 0.345 542 M C 0.976 177.126 176.300 -0.251 0.000 1.398 542 M CA 1.239 56.405 55.300 -0.223 0.000 1.148 542 M CB -0.323 32.191 32.600 -0.143 0.000 1.663 542 M HN 0.796 nan 8.290 nan 0.000 0.464 543 G N 4.329 112.958 108.800 -0.284 0.000 2.528 543 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.262 543 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.262 543 G C -0.279 174.158 174.900 -0.772 0.000 1.200 543 G CA -0.045 44.732 45.100 -0.538 0.000 0.951 543 G HN 0.817 nan 8.290 nan 0.000 0.566 544 N N 1.349 119.449 118.700 -1.000 0.000 2.421 544 N HA 0.525 5.265 4.740 -0.000 0.000 0.260 544 N C -0.008 175.246 175.510 -0.427 0.000 1.173 544 N CA 1.086 53.677 53.050 -0.764 0.000 0.960 544 N CB 0.526 38.572 38.487 -0.736 0.000 1.273 544 N HN 0.792 nan 8.380 nan 0.000 0.497 545 S N 1.911 117.441 115.700 -0.283 0.000 2.998 545 S HA 0.588 5.058 4.470 -0.000 0.000 0.321 545 S C -0.193 174.334 174.600 -0.122 0.000 1.171 545 S CA -0.396 57.695 58.200 -0.182 0.000 0.882 545 S CB 0.170 63.285 63.200 -0.141 0.000 1.301 545 S HN 0.396 nan 8.310 nan 0.000 0.629 546 L N 0.194 121.377 121.223 -0.067 0.000 4.613 546 L HA -0.067 4.273 4.340 -0.000 0.000 0.409 546 L C 0.460 177.361 176.870 0.051 0.000 1.100 546 L CA 0.893 55.714 54.840 -0.033 0.000 1.029 546 L CB -1.711 40.241 42.059 -0.178 0.000 2.137 546 L HN 0.702 nan 8.230 nan 0.000 0.713 547 G N -0.854 107.951 108.800 0.009 0.000 2.378 547 G HA2 0.486 4.446 3.960 -0.000 0.000 0.255 547 G HA3 0.486 4.446 3.960 -0.000 0.000 0.255 547 G C 1.211 176.162 174.900 0.086 0.000 1.270 547 G CA 0.149 45.238 45.100 -0.019 0.000 0.876 547 G HN 1.375 nan 8.290 nan 0.000 0.521 548 G N 1.586 110.442 108.800 0.092 0.000 2.175 548 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.244 548 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.244 548 G C 1.002 176.106 174.900 0.341 0.000 0.982 548 G CA 0.719 45.933 45.100 0.190 0.000 0.641 548 G HN 0.775 nan 8.290 nan 0.000 0.527 549 F N 1.875 121.954 119.950 0.214 0.000 2.126 549 F HA 0.117 4.644 4.527 -0.000 0.000 0.299 549 F C 2.670 178.693 175.800 0.371 0.000 1.096 549 F CA 2.554 60.748 58.000 0.322 0.000 1.255 549 F CB -0.440 38.678 39.000 0.197 0.000 0.997 549 F HN 0.351 nan 8.300 nan 0.000 0.479 550 A N -0.125 122.853 122.820 0.263 0.000 1.972 550 A HA -0.207 4.113 4.320 -0.000 0.000 0.219 550 A C 2.298 179.901 177.584 0.032 0.000 1.169 550 A CA 1.623 53.744 52.037 0.140 0.000 0.635 550 A CB -0.665 18.427 19.000 0.152 0.000 0.810 550 A HN 0.409 nan 8.150 nan 0.000 0.446 551 K N -1.450 118.957 120.400 0.012 0.000 2.063 551 K HA -0.201 4.119 4.320 -0.000 0.000 0.208 551 K C 1.809 178.191 176.600 -0.363 0.000 1.048 551 K CA 1.934 58.138 56.287 -0.139 0.000 0.928 551 K CB -0.384 32.009 32.500 -0.178 0.000 0.713 551 K HN 0.673 nan 8.250 nan 0.000 0.442 552 Y N -0.690 119.346 120.300 -0.441 0.000 2.145 552 Y HA -0.258 4.292 4.550 -0.000 0.000 0.286 552 Y C 2.172 177.143 175.900 -1.548 0.000 1.145 552 Y CA 1.361 58.849 58.100 -1.021 0.000 1.148 552 Y CB -0.396 37.467 38.460 -0.994 0.000 0.981 552 Y HN 0.169 nan 8.280 nan 0.000 0.507 553 W N 0.147 121.042 121.300 -0.676 0.000 2.374 553 W HA -0.191 4.469 4.660 -0.000 0.000 0.288 553 W C 2.592 178.933 176.519 -0.298 0.000 1.218 553 W CA 1.584 58.646 57.345 -0.471 0.000 1.245 553 W CB -0.546 28.723 29.460 -0.317 0.000 1.126 553 W HN 0.112 nan 8.180 nan 0.000 0.545 554 Q N -0.027 119.674 119.800 -0.164 0.000 2.079 554 Q HA -0.149 4.191 4.340 -0.000 0.000 0.200 554 Q C 2.330 178.259 176.000 -0.118 0.000 0.974 554 Q CA 1.688 57.438 55.803 -0.088 0.000 0.840 554 Q CB -0.331 28.370 28.738 -0.062 0.000 0.898 554 Q HN 0.258 nan 8.270 nan 0.000 0.430 555 A N 0.153 122.809 122.820 -0.274 0.000 1.902 555 A HA -0.145 4.175 4.320 -0.000 0.000 0.217 555 A C 1.828 179.367 177.584 -0.076 0.000 1.181 555 A CA 1.026 52.939 52.037 -0.207 0.000 0.623 555 A CB -1.002 17.750 19.000 -0.414 0.000 0.818 555 A HN 0.471 nan 8.150 nan 0.000 0.443 556 F N -0.591 119.185 119.950 -0.290 0.000 2.161 556 F HA -0.188 4.339 4.527 -0.000 0.000 0.300 556 F C 2.720 178.421 175.800 -0.164 0.000 1.089 556 F CA 1.084 58.884 58.000 -0.333 0.000 1.282 556 F CB -0.134 38.462 39.000 -0.674 0.000 1.010 556 F HN 0.143 nan 8.300 nan 0.000 0.485 557 R N -0.002 120.556 120.500 0.097 0.000 2.148 557 R HA -0.149 4.191 4.340 -0.000 0.000 0.223 557 R C 2.113 178.451 176.300 0.064 0.000 1.088 557 R CA 1.005 57.150 56.100 0.075 0.000 0.985 557 R CB -0.247 30.093 30.300 0.066 0.000 0.880 557 R HN 0.374 nan 8.270 nan 0.000 0.451 558 Q N -0.571 119.294 119.800 0.109 0.000 2.302 558 Q HA -0.022 4.318 4.340 -0.000 0.000 0.202 558 Q C -0.560 175.471 176.000 0.051 0.000 0.936 558 Q CA 0.700 56.557 55.803 0.089 0.000 0.886 558 Q CB 0.472 29.286 28.738 0.127 0.000 0.986 558 Q HN 0.167 nan 8.270 nan 0.000 0.487 559 Y N 0.112 120.394 120.300 -0.030 0.000 2.331 559 Y HA 0.297 4.847 4.550 -0.000 0.000 0.338 559 Y C -1.800 174.076 175.900 -0.039 0.000 0.976 559 Y CA -2.860 55.222 58.100 -0.030 0.000 1.137 559 Y CB 1.513 39.958 38.460 -0.024 0.000 1.172 559 Y HN 0.081 nan 8.280 nan 0.000 0.478 560 P HA -0.150 nan 4.420 nan 0.000 0.215 560 P C 1.109 178.415 177.300 0.009 0.000 1.157 560 P CA 1.755 64.863 63.100 0.015 0.000 0.868 560 P CB 0.323 32.015 31.700 -0.014 0.000 0.788 561 R N -0.947 119.575 120.500 0.037 0.000 2.339 561 R HA 0.089 4.429 4.340 -0.000 0.000 0.199 561 R C 0.423 176.702 176.300 -0.034 0.000 1.018 561 R CA 0.197 56.297 56.100 0.001 0.000 1.036 561 R CB -0.538 29.771 30.300 0.015 0.000 0.899 561 R HN 0.280 nan 8.270 nan 0.000 0.473 562 L N 1.981 123.199 121.223 -0.010 0.000 2.302 562 L HA 0.147 4.487 4.340 -0.000 0.000 0.285 562 L C 0.723 177.452 176.870 -0.234 0.000 1.090 562 L CA 0.061 54.848 54.840 -0.087 0.000 0.866 562 L CB 1.181 43.261 42.059 0.034 0.000 1.244 562 L HN 0.035 nan 8.230 nan 0.000 0.435 563 Q N 2.683 122.280 119.800 -0.339 0.000 2.222 563 Q HA 0.309 4.649 4.340 -0.000 0.000 0.206 563 Q C 0.854 176.448 176.000 -0.677 0.000 0.877 563 Q CA 0.126 55.689 55.803 -0.400 0.000 0.958 563 Q CB 0.942 29.531 28.738 -0.248 0.000 1.075 563 Q HN 0.938 nan 8.270 nan 0.000 0.483 564 G N -0.387 107.650 108.800 -1.271 0.000 2.337 564 G HA2 0.169 4.129 3.960 -0.000 0.000 0.197 564 G HA3 0.169 4.129 3.960 -0.000 0.000 0.197 564 G C -0.434 173.681 174.900 -1.308 0.000 1.238 564 G CA -0.738 43.297 45.100 -1.775 0.000 1.119 564 G HN 0.525 nan 8.290 nan 0.000 0.514 565 G N -2.166 106.123 108.800 -0.852 0.000 2.342 565 G HA2 0.651 4.611 3.960 -0.000 0.000 0.297 565 G HA3 0.651 4.611 3.960 -0.000 0.000 0.297 565 G C -1.934 172.867 174.900 -0.165 0.000 1.313 565 G CA -0.351 44.465 45.100 -0.474 0.000 0.830 565 G HN 1.124 nan 8.290 nan 0.000 0.506 566 F N 0.613 120.794 119.950 0.385 0.000 2.427 566 F HA 0.533 5.060 4.527 -0.000 0.000 0.348 566 F C 0.725 176.818 175.800 0.488 0.000 1.125 566 F CA -0.754 57.501 58.000 0.426 0.000 0.989 566 F CB 2.115 41.268 39.000 0.254 0.000 1.165 566 F HN 0.260 nan 8.300 nan 0.000 0.442 567 V N 3.081 123.307 119.914 0.520 0.000 2.963 567 V HA -0.091 4.029 4.120 -0.000 0.000 0.306 567 V C -0.320 175.954 176.094 0.300 0.000 1.077 567 V CA -0.334 62.088 62.300 0.203 0.000 1.124 567 V CB 0.944 32.865 31.823 0.165 0.000 0.987 567 V HN 0.779 nan 8.190 nan 0.000 0.487 568 W N 5.993 127.368 121.300 0.126 0.000 2.336 568 W HA 0.468 5.128 4.660 -0.000 0.000 0.315 568 W C -1.048 175.490 176.519 0.031 0.000 1.016 568 W CA -0.686 56.765 57.345 0.176 0.000 1.318 568 W CB 1.430 31.138 29.460 0.413 0.000 1.247 568 W HN 0.916 nan 8.180 nan 0.000 0.414 569 D N 2.646 122.717 120.400 -0.548 0.000 2.812 569 D HA 0.123 4.763 4.640 -0.000 0.000 0.318 569 D C 0.677 176.762 176.300 -0.358 0.000 1.234 569 D CA -0.558 53.012 54.000 -0.717 0.000 0.989 569 D CB 0.283 40.126 40.800 -1.595 0.000 1.442 569 D HN 0.411 nan 8.370 nan 0.000 0.537 570 W N 0.569 121.562 121.300 -0.512 0.000 2.381 570 W HA 0.080 4.740 4.660 -0.000 0.000 0.321 570 W C -0.124 176.169 176.519 -0.377 0.000 1.196 570 W CA 1.361 58.459 57.345 -0.411 0.000 1.304 570 W CB 0.196 29.444 29.460 -0.354 0.000 1.166 570 W HN 0.224 nan 8.180 nan 0.000 0.473 571 V N 0.802 120.524 119.914 -0.321 0.000 2.715 571 V HA 0.295 4.415 4.120 -0.000 0.000 0.310 571 V C -0.538 175.358 176.094 -0.331 0.000 1.054 571 V CA -1.125 60.917 62.300 -0.431 0.000 0.928 571 V CB 1.321 33.013 31.823 -0.219 0.000 1.007 571 V HN -0.125 nan 8.190 nan 0.000 0.437 572 D N 2.060 122.270 120.400 -0.317 0.000 2.455 572 D HA 0.129 4.769 4.640 -0.000 0.000 0.241 572 D C 0.194 176.345 176.300 -0.248 0.000 1.138 572 D CA 0.535 54.403 54.000 -0.221 0.000 0.877 572 D CB 1.061 41.816 40.800 -0.076 0.000 1.187 572 D HN 0.651 nan 8.370 nan 0.000 0.451 573 Q N 1.166 120.772 119.800 -0.323 0.000 3.135 573 Q HA 0.162 4.502 4.340 -0.000 0.000 0.344 573 Q C -0.367 175.630 176.000 -0.005 0.000 1.321 573 Q CA -0.374 55.070 55.803 -0.599 0.000 1.050 573 Q CB 0.198 28.634 28.738 -0.504 0.000 1.498 573 Q HN 0.350 nan 8.270 nan 0.000 0.503 574 S N -0.068 115.731 115.700 0.165 0.000 2.565 574 S HA 0.669 5.139 4.470 -0.000 0.000 0.290 574 S C -0.227 174.558 174.600 0.307 0.000 1.150 574 S CA -0.821 57.572 58.200 0.323 0.000 1.058 574 S CB 1.611 64.971 63.200 0.267 0.000 1.032 574 S HN 0.328 nan 8.310 nan 0.000 0.510 575 L N 1.799 123.136 121.223 0.190 0.000 2.334 575 L HA 0.573 4.913 4.340 -0.000 0.000 0.273 575 L C -0.377 176.420 176.870 -0.123 0.000 1.013 575 L CA -1.065 53.754 54.840 -0.035 0.000 0.816 575 L CB 1.546 43.454 42.059 -0.253 0.000 1.278 575 L HN 0.645 nan 8.230 nan 0.000 0.431 576 I N 2.276 122.714 120.570 -0.219 0.000 2.474 576 I HA 0.200 4.370 4.170 -0.000 0.000 0.287 576 I C 0.072 175.836 176.117 -0.588 0.000 1.048 576 I CA 0.200 61.253 61.300 -0.412 0.000 1.383 576 I CB 0.735 38.508 38.000 -0.379 0.000 1.412 576 I HN 0.525 nan 8.210 nan 0.000 0.531 577 K N 4.796 124.563 120.400 -1.056 0.000 2.433 577 K HA 0.585 4.905 4.320 -0.000 0.000 0.252 577 K C -1.746 174.088 176.600 -1.277 0.000 1.015 577 K CA -0.865 54.729 56.287 -1.155 0.000 0.860 577 K CB 2.345 33.861 32.500 -1.641 0.000 1.359 577 K HN 0.249 nan 8.250 nan 0.000 0.452 578 Y N 0.400 120.457 120.300 -0.406 0.000 2.499 578 Y HA 0.185 4.735 4.550 -0.000 0.000 0.347 578 Y C -0.154 175.860 175.900 0.189 0.000 0.987 578 Y CA -1.225 56.831 58.100 -0.072 0.000 1.044 578 Y CB 1.358 39.790 38.460 -0.046 0.000 1.245 578 Y HN 0.630 nan 8.280 nan 0.000 0.461 579 D N -0.274 120.390 120.400 0.440 0.000 2.340 579 D HA 0.163 4.803 4.640 -0.000 0.000 0.251 579 D C 0.480 176.894 176.300 0.189 0.000 1.080 579 D CA -0.660 53.519 54.000 0.298 0.000 0.971 579 D CB 0.989 41.900 40.800 0.186 0.000 1.137 579 D HN 0.562 nan 8.370 nan 0.000 0.475 580 E N 0.438 120.707 120.200 0.114 0.000 2.253 580 E HA -0.249 4.101 4.350 -0.000 0.000 0.202 580 E C 0.660 177.294 176.600 0.057 0.000 1.014 580 E CA 1.399 57.838 56.400 0.066 0.000 0.823 580 E CB -0.613 29.110 29.700 0.037 0.000 0.736 580 E HN 0.432 nan 8.360 nan 0.000 0.478 581 N N 0.267 119.011 118.700 0.073 0.000 2.370 581 N HA 0.109 4.849 4.740 -0.000 0.000 0.198 581 N C 0.703 176.259 175.510 0.076 0.000 1.156 581 N CA 0.818 53.904 53.050 0.061 0.000 0.839 581 N CB 0.743 39.262 38.487 0.053 0.000 0.989 581 N HN 0.346 nan 8.380 nan 0.000 0.468 582 G N 1.065 109.927 108.800 0.103 0.000 2.221 582 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.265 582 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.265 582 G C -0.396 174.659 174.900 0.259 0.000 1.041 582 G CA -0.307 44.858 45.100 0.107 0.000 0.807 582 G HN 0.272 nan 8.290 nan 0.000 0.502 583 N N 1.167 120.040 118.700 0.289 0.000 2.438 583 N HA 0.514 5.254 4.740 -0.000 0.000 0.282 583 N C -2.528 173.143 175.510 0.267 0.000 1.037 583 N CA -1.419 51.789 53.050 0.263 0.000 0.942 583 N CB 2.171 40.762 38.487 0.173 0.000 1.136 583 N HN 0.145 nan 8.380 nan 0.000 0.481 584 P HA 0.361 nan 4.420 nan 0.000 0.288 584 P C -0.568 176.671 177.300 -0.102 0.000 1.267 584 P CA -0.451 62.413 63.100 -0.393 0.000 0.815 584 P CB 0.840 32.296 31.700 -0.407 0.000 0.989 585 W N -0.281 120.749 121.300 -0.451 0.000 3.083 585 W HA 0.472 5.132 4.660 -0.000 0.000 0.333 585 W C -1.413 174.918 176.519 -0.313 0.000 1.217 585 W CA -1.125 55.977 57.345 -0.405 0.000 1.170 585 W CB 0.444 29.462 29.460 -0.737 0.000 1.437 585 W HN 0.096 nan 8.180 nan 0.000 0.557 586 S N 1.493 117.283 115.700 0.151 0.000 2.474 586 S HA 0.557 5.027 4.470 -0.000 0.000 0.276 586 S C 0.124 174.916 174.600 0.321 0.000 1.227 586 S CA -0.212 58.076 58.200 0.145 0.000 1.050 586 S CB 0.672 63.999 63.200 0.212 0.000 0.939 586 S HN 0.589 nan 8.310 nan 0.000 0.490 587 A N 3.260 126.126 122.820 0.077 0.000 2.340 587 A HA 0.867 5.187 4.320 -0.000 0.000 0.331 587 A C -0.743 177.118 177.584 0.463 0.000 1.140 587 A CA -0.725 51.392 52.037 0.134 0.000 0.801 587 A CB 0.669 19.472 19.000 -0.329 0.000 1.234 587 A HN 0.840 nan 8.150 nan 0.000 0.469 588 Y N -0.556 120.079 120.300 0.559 0.000 2.857 588 Y HA 0.771 5.321 4.550 -0.000 0.000 0.318 588 Y C 0.600 176.849 175.900 0.582 0.000 1.313 588 Y CA -1.432 56.977 58.100 0.515 0.000 1.117 588 Y CB 0.016 38.602 38.460 0.209 0.000 1.344 588 Y HN 0.946 nan 8.280 nan 0.000 0.525 589 G N 0.007 109.166 108.800 0.598 0.000 2.224 589 G HA2 0.360 4.320 3.960 -0.000 0.000 0.239 589 G HA3 0.360 4.320 3.960 -0.000 0.000 0.239 589 G C 0.985 176.211 174.900 0.543 0.000 1.240 589 G CA 0.491 45.878 45.100 0.478 0.000 0.896 589 G HN 2.020 nan 8.290 nan 0.000 0.496 590 G N 2.186 111.277 108.800 0.485 0.000 2.225 590 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.254 590 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.254 590 G C 0.915 176.020 174.900 0.341 0.000 0.988 590 G CA 0.712 46.036 45.100 0.374 0.000 0.625 590 G HN 0.656 nan 8.290 nan 0.000 0.527 591 D N -0.282 120.345 120.400 0.377 0.000 2.371 591 D HA 0.142 4.782 4.640 -0.000 0.000 0.221 591 D C 1.315 177.497 176.300 -0.197 0.000 0.986 591 D CA 0.547 54.603 54.000 0.094 0.000 0.899 591 D CB -0.189 40.608 40.800 -0.006 0.000 0.902 591 D HN 0.480 nan 8.370 nan 0.000 0.530 592 F N -1.022 119.050 119.950 0.203 0.000 2.683 592 F HA 0.313 4.840 4.527 -0.000 0.000 0.306 592 F C 1.771 177.655 175.800 0.140 0.000 1.102 592 F CA -0.174 57.907 58.000 0.135 0.000 1.244 592 F CB 0.722 39.796 39.000 0.125 0.000 1.029 592 F HN -0.058 nan 8.300 nan 0.000 0.545 593 G N 0.548 109.514 108.800 0.276 0.000 2.159 593 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.256 593 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.256 593 G C -0.159 174.882 174.900 0.234 0.000 0.977 593 G CA 0.134 45.360 45.100 0.210 0.000 0.652 593 G HN 0.423 nan 8.290 nan 0.000 0.531 594 D N 0.745 121.336 120.400 0.317 0.000 2.450 594 D HA 0.406 5.046 4.640 -0.000 0.000 0.247 594 D C -0.091 176.336 176.300 0.211 0.000 1.162 594 D CA 0.694 54.869 54.000 0.293 0.000 0.879 594 D CB 1.060 42.094 40.800 0.389 0.000 1.163 594 D HN 0.085 nan 8.370 nan 0.000 0.472 595 T N 2.839 117.489 114.554 0.160 0.000 2.971 595 T HA 0.451 4.801 4.350 -0.000 0.000 0.304 595 T C -2.368 172.375 174.700 0.071 0.000 1.038 595 T CA -0.979 61.183 62.100 0.104 0.000 1.007 595 T CB 1.965 70.889 68.868 0.093 0.000 1.055 595 T HN 0.400 nan 8.240 nan 0.000 0.451 596 P HA 0.501 nan 4.420 nan 0.000 0.278 596 P C -1.095 176.192 177.300 -0.021 0.000 1.258 596 P CA -0.692 62.408 63.100 -0.001 0.000 0.811 596 P CB 0.847 32.518 31.700 -0.047 0.000 1.063 597 N N -0.548 118.147 118.700 -0.008 0.000 2.571 597 N HA 0.201 4.941 4.740 -0.000 0.000 0.273 597 N C -1.016 174.470 175.510 -0.040 0.000 1.340 597 N CA -0.562 52.474 53.050 -0.024 0.000 0.789 597 N CB 1.636 40.203 38.487 0.133 0.000 1.514 597 N HN 0.231 nan 8.380 nan 0.000 0.499 598 D N -0.144 120.228 120.400 -0.048 0.000 2.593 598 D HA 0.124 4.764 4.640 -0.000 0.000 0.241 598 D C 0.570 177.104 176.300 0.390 0.000 1.257 598 D CA -0.190 53.858 54.000 0.080 0.000 0.828 598 D CB 1.041 41.748 40.800 -0.156 0.000 1.049 598 D HN 0.648 nan 8.370 nan 0.000 0.490 599 R N 0.346 121.053 120.500 0.344 0.000 3.682 599 R HA -0.374 3.966 4.340 -0.000 0.000 0.519 599 R C 0.992 177.285 176.300 -0.011 0.000 0.241 599 R CA 1.496 57.767 56.100 0.284 0.000 1.619 599 R CB -1.401 28.993 30.300 0.156 0.000 0.923 599 R HN 0.012 nan 8.270 nan 0.000 0.598 600 Q N 0.638 120.123 119.800 -0.525 0.000 2.437 600 Q HA 0.095 4.435 4.340 -0.000 0.000 0.210 600 Q C 1.832 177.536 176.000 -0.493 0.000 0.972 600 Q CA 1.750 57.081 55.803 -0.787 0.000 0.903 600 Q CB -0.251 27.900 28.738 -0.979 0.000 0.967 600 Q HN 0.458 nan 8.270 nan 0.000 0.486 601 F N 0.506 120.343 119.950 -0.188 0.000 2.323 601 F HA -0.246 4.281 4.527 -0.000 0.000 0.301 601 F C 1.907 177.639 175.800 -0.113 0.000 1.060 601 F CA 1.011 58.991 58.000 -0.034 0.000 1.398 601 F CB -0.459 38.598 39.000 0.094 0.000 1.075 601 F HN 0.338 nan 8.300 nan 0.000 0.540 602 C N -1.573 117.446 119.300 -0.468 0.000 2.562 602 C HA 0.233 4.693 4.460 -0.000 0.000 0.266 602 C C 0.991 175.786 174.990 -0.325 0.000 1.382 602 C CA -0.532 58.061 59.018 -0.709 0.000 1.742 602 C CB -1.622 25.155 27.740 -1.604 0.000 1.812 602 C HN 0.200 nan 8.230 nan 0.000 0.559 603 M N 2.948 122.399 119.600 -0.247 0.000 2.060 603 M HA 0.346 4.826 4.480 -0.000 0.000 0.342 603 M C -0.528 175.665 176.300 -0.179 0.000 1.031 603 M CA 0.216 55.408 55.300 -0.181 0.000 0.981 603 M CB 0.548 33.072 32.600 -0.126 0.000 1.376 603 M HN 0.179 nan 8.290 nan 0.000 0.397 604 N N 1.531 120.122 118.700 -0.182 0.000 2.307 604 N HA 0.195 4.935 4.740 -0.000 0.000 0.248 604 N C 0.119 175.434 175.510 -0.324 0.000 1.322 604 N CA -0.099 52.809 53.050 -0.236 0.000 0.861 604 N CB 1.394 39.827 38.487 -0.091 0.000 1.303 604 N HN 0.705 nan 8.380 nan 0.000 0.498 605 G N -0.251 108.320 108.800 -0.382 0.000 2.502 605 G HA2 0.485 4.445 3.960 -0.000 0.000 0.305 605 G HA3 0.485 4.445 3.960 -0.000 0.000 0.305 605 G C 0.820 175.288 174.900 -0.720 0.000 1.190 605 G CA -0.498 44.282 45.100 -0.533 0.000 0.933 605 G HN 0.115 nan 8.290 nan 0.000 0.503 606 L N -0.316 120.488 121.223 -0.699 0.000 2.446 606 L HA 0.162 4.502 4.340 -0.000 0.000 0.219 606 L C 0.684 176.957 176.870 -0.995 0.000 1.116 606 L CA 0.239 54.670 54.840 -0.682 0.000 0.844 606 L CB -0.104 41.700 42.059 -0.425 0.000 0.970 606 L HN 0.376 nan 8.230 nan 0.000 0.457 607 V N -5.065 114.147 119.914 -1.171 0.000 2.962 607 V HA 0.470 4.590 4.120 -0.000 0.000 0.313 607 V C -0.372 175.233 176.094 -0.814 0.000 1.099 607 V CA -1.219 60.494 62.300 -0.979 0.000 0.971 607 V CB 1.681 32.978 31.823 -0.876 0.000 1.028 607 V HN -0.132 nan 8.190 nan 0.000 0.430 608 F N 1.676 121.454 119.950 -0.287 0.000 2.444 608 F HA 0.531 5.058 4.527 -0.000 0.000 0.331 608 F C 1.972 177.681 175.800 -0.152 0.000 1.167 608 F CA 0.510 58.469 58.000 -0.068 0.000 1.262 608 F CB 1.253 40.257 39.000 0.006 0.000 1.196 608 F HN 0.818 nan 8.300 nan 0.000 0.583 609 A N 1.082 123.991 122.820 0.147 0.000 2.042 609 A HA -0.286 4.034 4.320 -0.000 0.000 0.222 609 A C 1.530 179.089 177.584 -0.041 0.000 1.167 609 A CA 2.147 54.212 52.037 0.047 0.000 0.649 609 A CB -1.117 17.951 19.000 0.112 0.000 0.809 609 A HN 0.849 nan 8.150 nan 0.000 0.457 610 D N -3.268 117.127 120.400 -0.008 0.000 2.340 610 D HA 0.202 4.842 4.640 -0.000 0.000 0.220 610 D C 0.606 176.886 176.300 -0.034 0.000 1.039 610 D CA -0.019 53.949 54.000 -0.053 0.000 0.866 610 D CB -0.058 40.714 40.800 -0.047 0.000 0.913 610 D HN 0.208 nan 8.370 nan 0.000 0.523 611 R N -1.000 119.473 120.500 -0.045 0.000 3.774 611 R HA -0.123 4.217 4.340 -0.000 0.000 0.320 611 R C -0.502 175.780 176.300 -0.030 0.000 1.175 611 R CA 1.139 57.193 56.100 -0.076 0.000 0.849 611 R CB -3.278 27.012 30.300 -0.017 0.000 1.365 611 R HN 0.566 nan 8.270 nan 0.000 0.502 612 T N -2.539 112.047 114.554 0.054 0.000 2.824 612 T HA 0.724 5.074 4.350 -0.000 0.000 0.280 612 T C -2.570 172.255 174.700 0.210 0.000 0.995 612 T CA -2.463 59.711 62.100 0.124 0.000 1.009 612 T CB 2.535 71.472 68.868 0.115 0.000 0.955 612 T HN -0.207 nan 8.240 nan 0.000 0.452 613 P HA 0.165 nan 4.420 nan 0.000 0.268 613 P C -0.156 177.187 177.300 0.072 0.000 1.204 613 P CA -0.094 62.995 63.100 -0.018 0.000 0.768 613 P CB 0.158 31.858 31.700 -0.001 0.000 0.842 614 H N 3.793 122.667 119.070 -0.327 0.000 2.505 614 H HA 0.132 4.688 4.556 -0.000 0.000 0.355 614 H C -1.169 174.057 175.328 -0.169 0.000 1.179 614 H CA -2.018 53.825 56.048 -0.341 0.000 1.343 614 H CB 0.707 30.231 29.762 -0.397 0.000 1.501 614 H HN 0.324 nan 8.280 nan 0.000 0.569 615 P HA -0.125 nan 4.420 nan 0.000 0.220 615 P C 1.165 178.462 177.300 -0.006 0.000 1.148 615 P CA 1.124 64.213 63.100 -0.018 0.000 0.803 615 P CB -0.016 31.664 31.700 -0.033 0.000 0.782 616 A N -0.031 122.786 122.820 -0.004 0.000 2.024 616 A HA -0.188 4.132 4.320 -0.000 0.000 0.220 616 A C 2.092 179.624 177.584 -0.087 0.000 1.164 616 A CA 1.324 53.324 52.037 -0.061 0.000 0.643 616 A CB -1.647 17.294 19.000 -0.099 0.000 0.806 616 A HN 0.186 nan 8.150 nan 0.000 0.451 617 L N -0.106 121.084 121.223 -0.055 0.000 2.127 617 L HA -0.141 4.199 4.340 -0.000 0.000 0.211 617 L C 2.351 179.253 176.870 0.053 0.000 1.089 617 L CA 2.654 57.489 54.840 -0.008 0.000 0.757 617 L CB -0.773 41.279 42.059 -0.012 0.000 0.899 617 L HN 0.387 nan 8.230 nan 0.000 0.434 618 T N -1.356 113.236 114.554 0.063 0.000 2.904 618 T HA -0.159 4.191 4.350 -0.000 0.000 0.267 618 T C 1.692 176.486 174.700 0.157 0.000 1.059 618 T CA 1.267 63.458 62.100 0.152 0.000 1.137 618 T CB -0.117 68.830 68.868 0.132 0.000 0.879 618 T HN 0.346 nan 8.240 nan 0.000 0.467 619 E N 1.678 121.915 120.200 0.062 0.000 2.077 619 E HA -0.020 4.330 4.350 -0.000 0.000 0.193 619 E C 2.267 178.872 176.600 0.008 0.000 0.989 619 E CA 1.257 57.697 56.400 0.066 0.000 0.800 619 E CB -0.524 29.186 29.700 0.016 0.000 0.746 619 E HN 0.428 nan 8.360 nan 0.000 0.452 620 A N 1.022 123.741 122.820 -0.169 0.000 1.902 620 A HA -0.245 4.075 4.320 -0.000 0.000 0.217 620 A C 2.172 179.647 177.584 -0.181 0.000 1.181 620 A CA 1.980 53.883 52.037 -0.224 0.000 0.623 620 A CB -0.651 18.203 19.000 -0.243 0.000 0.818 620 A HN 0.275 nan 8.150 nan 0.000 0.443 621 K N -1.311 119.051 120.400 -0.063 0.000 2.063 621 K HA -0.276 4.044 4.320 -0.000 0.000 0.208 621 K C 2.067 178.561 176.600 -0.176 0.000 1.048 621 K CA 1.944 58.199 56.287 -0.054 0.000 0.928 621 K CB -0.325 32.281 32.500 0.177 0.000 0.713 621 K HN 0.643 nan 8.250 nan 0.000 0.442 622 H N 0.469 119.346 119.070 -0.321 0.000 2.299 622 H HA -0.007 4.549 4.556 -0.000 0.000 0.302 622 H C 1.969 177.013 175.328 -0.474 0.000 1.078 622 H CA 1.727 57.399 56.048 -0.626 0.000 1.323 622 H CB -0.004 29.388 29.762 -0.617 0.000 1.381 622 H HN 0.206 nan 8.280 nan 0.000 0.498 623 Q N 0.336 119.841 119.800 -0.493 0.000 2.226 623 Q HA -0.120 4.220 4.340 -0.000 0.000 0.204 623 Q C 1.632 177.097 176.000 -0.892 0.000 0.975 623 Q CA 1.343 56.785 55.803 -0.602 0.000 0.866 623 Q CB -0.052 28.476 28.738 -0.350 0.000 0.915 623 Q HN 0.718 nan 8.270 nan 0.000 0.440 624 Q N 0.886 120.138 119.800 -0.913 0.000 2.320 624 Q HA 0.027 4.367 4.340 -0.000 0.000 0.201 624 Q C 0.181 175.629 176.000 -0.921 0.000 0.910 624 Q CA -0.267 54.851 55.803 -1.140 0.000 0.946 624 Q CB 0.191 28.285 28.738 -1.073 0.000 1.062 624 Q HN 0.425 nan 8.270 nan 0.000 0.503 625 Q N -0.533 118.868 119.800 -0.665 0.000 2.428 625 Q HA -0.031 4.309 4.340 -0.000 0.000 0.276 625 Q C -0.354 175.291 176.000 -0.591 0.000 1.059 625 Q CA 0.266 55.791 55.803 -0.465 0.000 0.923 625 Q CB 0.410 29.015 28.738 -0.222 0.000 1.283 625 Q HN 0.177 nan 8.270 nan 0.000 0.447 626 F N 0.369 120.070 119.950 -0.414 0.000 2.797 626 F HA 0.290 4.817 4.527 -0.000 0.000 0.302 626 F C -0.237 175.002 175.800 -0.935 0.000 1.130 626 F CA -0.065 57.463 58.000 -0.787 0.000 1.387 626 F CB 0.373 38.557 39.000 -1.360 0.000 1.107 626 F HN 0.347 nan 8.300 nan 0.000 0.577 627 F N 0.180 120.056 119.950 -0.123 0.000 2.520 627 F HA 0.481 5.008 4.527 -0.000 0.000 0.322 627 F C -0.095 175.389 175.800 -0.526 0.000 1.103 627 F CA -1.045 56.790 58.000 -0.276 0.000 0.926 627 F CB 1.348 40.199 39.000 -0.248 0.000 1.154 627 F HN -0.319 nan 8.300 nan 0.000 0.453 628 Q N 3.050 122.600 119.800 -0.417 0.000 2.377 628 Q HA 0.552 4.892 4.340 -0.000 0.000 0.271 628 Q C -1.456 174.199 176.000 -0.575 0.000 1.077 628 Q CA -0.703 54.850 55.803 -0.416 0.000 0.820 628 Q CB 3.151 31.792 28.738 -0.161 0.000 1.347 628 Q HN 0.552 nan 8.270 nan 0.000 0.444 629 F N 0.224 120.299 119.950 0.209 0.000 2.546 629 F HA 0.598 5.125 4.527 -0.000 0.000 0.320 629 F C 0.391 176.418 175.800 0.379 0.000 1.076 629 F CA -0.841 57.352 58.000 0.321 0.000 0.928 629 F CB 2.123 41.421 39.000 0.497 0.000 1.189 629 F HN 0.123 nan 8.300 nan 0.000 0.465 630 R N 1.731 122.537 120.500 0.510 0.000 2.686 630 R HA 0.654 4.994 4.340 -0.000 0.000 0.283 630 R C -2.007 174.360 176.300 0.113 0.000 0.978 630 R CA -1.192 55.109 56.100 0.335 0.000 0.897 630 R CB 2.688 33.090 30.300 0.170 0.000 1.192 630 R HN 0.591 nan 8.270 nan 0.000 0.457 631 L N 1.342 122.502 121.223 -0.105 0.000 2.325 631 L HA 0.474 4.814 4.340 -0.000 0.000 0.281 631 L C -1.025 175.688 176.870 -0.262 0.000 1.004 631 L CA 0.169 54.724 54.840 -0.476 0.000 0.823 631 L CB 1.959 43.281 42.059 -1.229 0.000 1.236 631 L HN 0.458 nan 8.230 nan 0.000 0.415 632 S N 3.715 119.290 115.700 -0.208 0.000 2.774 632 S HA 0.688 5.158 4.470 -0.000 0.000 0.297 632 S C 0.407 174.922 174.600 -0.142 0.000 1.143 632 S CA 0.206 58.325 58.200 -0.135 0.000 1.090 632 S CB 0.378 63.533 63.200 -0.075 0.000 1.019 632 S HN 1.379 nan 8.310 nan 0.000 0.482 633 G N 4.198 112.912 108.800 -0.143 0.000 2.601 633 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.306 633 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.306 633 G C 0.389 175.187 174.900 -0.170 0.000 1.172 633 G CA 0.567 45.588 45.100 -0.132 0.000 0.966 633 G HN 0.623 nan 8.290 nan 0.000 0.542 634 Q N 1.129 120.835 119.800 -0.157 0.000 2.194 634 Q HA 0.214 4.554 4.340 -0.000 0.000 0.214 634 Q C 0.058 175.936 176.000 -0.203 0.000 0.838 634 Q CA 0.638 56.328 55.803 -0.187 0.000 0.972 634 Q CB 1.058 29.706 28.738 -0.151 0.000 1.131 634 Q HN 0.553 nan 8.270 nan 0.000 0.498 635 T N 1.191 115.638 114.554 -0.178 0.000 2.767 635 T HA 0.517 4.867 4.350 -0.000 0.000 0.284 635 T C 0.135 174.736 174.700 -0.166 0.000 0.973 635 T CA -0.289 61.722 62.100 -0.148 0.000 0.996 635 T CB 1.400 70.212 68.868 -0.094 0.000 0.927 635 T HN 0.020 nan 8.240 nan 0.000 0.456 636 I N 2.607 123.100 120.570 -0.128 0.000 2.359 636 I HA 0.311 4.481 4.170 -0.000 0.000 0.294 636 I C 0.479 176.627 176.117 0.051 0.000 0.987 636 I CA -0.611 60.647 61.300 -0.070 0.000 1.225 636 I CB 1.426 39.416 38.000 -0.018 0.000 1.366 636 I HN 0.615 nan 8.210 nan 0.000 0.466 637 E N 6.579 126.839 120.200 0.100 0.000 2.133 637 E HA 0.434 4.784 4.350 -0.000 0.000 0.274 637 E C -1.541 175.166 176.600 0.178 0.000 0.930 637 E CA -0.600 55.868 56.400 0.114 0.000 0.770 637 E CB 1.578 31.323 29.700 0.075 0.000 1.104 637 E HN 0.339 nan 8.360 nan 0.000 0.403 638 V N 4.077 124.077 119.914 0.143 0.000 2.427 638 V HA 0.347 4.467 4.120 -0.000 0.000 0.286 638 V C -0.001 176.114 176.094 0.035 0.000 1.034 638 V CA -0.488 61.858 62.300 0.077 0.000 0.893 638 V CB 1.769 33.662 31.823 0.117 0.000 0.982 638 V HN 0.730 nan 8.190 nan 0.000 0.452 639 T N 3.142 117.676 114.554 -0.033 0.000 2.841 639 T HA 0.385 4.735 4.350 -0.000 0.000 0.283 639 T C -0.232 174.476 174.700 0.014 0.000 1.000 639 T CA -0.321 61.777 62.100 -0.003 0.000 0.977 639 T CB 1.633 70.479 68.868 -0.038 0.000 0.979 639 T HN 0.688 nan 8.240 nan 0.000 0.446 640 S N 1.608 117.327 115.700 0.032 0.000 2.508 640 S HA 0.282 4.752 4.470 -0.000 0.000 0.284 640 S C 0.504 175.009 174.600 -0.159 0.000 1.192 640 S CA -0.613 57.554 58.200 -0.054 0.000 1.070 640 S CB 0.645 63.890 63.200 0.075 0.000 1.004 640 S HN 0.710 nan 8.310 nan 0.000 0.493 641 E N 3.045 123.053 120.200 -0.319 0.000 2.496 641 E HA 0.118 4.468 4.350 -0.000 0.000 0.200 641 E C -0.966 175.486 176.600 -0.247 0.000 1.016 641 E CA -0.098 56.153 56.400 -0.248 0.000 0.962 641 E CB 0.349 29.893 29.700 -0.260 0.000 1.071 641 E HN 0.660 nan 8.360 nan 0.000 0.457 642 Y N 0.356 120.553 120.300 -0.171 0.000 2.299 642 Y HA 0.111 4.661 4.550 -0.000 0.000 0.326 642 Y C 1.356 177.099 175.900 -0.262 0.000 1.164 642 Y CA -0.275 57.697 58.100 -0.212 0.000 1.234 642 Y CB 0.988 39.301 38.460 -0.246 0.000 1.219 642 Y HN -0.003 nan 8.280 nan 0.000 0.497 643 L N 1.732 122.806 121.223 -0.249 0.000 2.463 643 L HA 0.059 4.399 4.340 -0.000 0.000 0.219 643 L C 0.601 176.998 176.870 -0.789 0.000 1.088 643 L CA 0.687 55.127 54.840 -0.666 0.000 0.849 643 L CB 0.051 41.334 42.059 -1.293 0.000 1.012 643 L HN 0.663 nan 8.230 nan 0.000 0.468 644 F N -0.388 119.581 119.950 0.031 0.000 2.699 644 F HA 0.199 4.726 4.527 -0.000 0.000 0.295 644 F C 1.288 177.070 175.800 -0.031 0.000 1.052 644 F CA -0.801 57.189 58.000 -0.017 0.000 1.239 644 F CB 0.332 39.299 39.000 -0.056 0.000 1.018 644 F HN -0.121 nan 8.300 nan 0.000 0.627 645 R N 0.091 120.625 120.500 0.056 0.000 2.573 645 R HA 0.464 4.804 4.340 -0.000 0.000 0.272 645 R C -0.991 175.299 176.300 -0.017 0.000 1.009 645 R CA -0.672 55.405 56.100 -0.038 0.000 1.059 645 R CB 0.785 30.961 30.300 -0.207 0.000 1.112 645 R HN 0.073 nan 8.270 nan 0.000 0.517 646 H N 0.394 119.436 119.070 -0.045 0.000 2.505 646 H HA 0.160 4.716 4.556 -0.000 0.000 0.351 646 H C -0.262 175.076 175.328 0.016 0.000 1.151 646 H CA -0.203 55.854 56.048 0.014 0.000 1.339 646 H CB 1.263 31.041 29.762 0.026 0.000 1.483 646 H HN 0.760 nan 8.280 nan 0.000 0.558 647 S N 2.460 118.015 115.700 -0.241 0.000 3.829 647 S HA -0.014 4.456 4.470 -0.000 0.000 0.250 647 S C -0.085 174.608 174.600 0.154 0.000 1.263 647 S CA -0.237 57.996 58.200 0.055 0.000 0.955 647 S CB -0.660 62.583 63.200 0.072 0.000 1.611 647 S HN 0.727 nan 8.310 nan 0.000 0.483 648 D N 0.717 121.219 120.400 0.169 0.000 2.427 648 D HA 0.110 4.750 4.640 -0.000 0.000 0.224 648 D C 0.225 176.585 176.300 0.100 0.000 1.157 648 D CA -0.459 53.644 54.000 0.171 0.000 0.828 648 D CB -0.247 40.649 40.800 0.160 0.000 0.974 648 D HN 0.485 nan 8.370 nan 0.000 0.498 649 N N 0.169 118.926 118.700 0.096 0.000 2.605 649 N HA 0.133 4.873 4.740 -0.000 0.000 0.265 649 N C -1.629 173.938 175.510 0.095 0.000 1.625 649 N CA -0.151 52.945 53.050 0.077 0.000 0.862 649 N CB 0.278 38.798 38.487 0.054 0.000 1.415 649 N HN -0.024 nan 8.380 nan 0.000 0.513 650 E N 0.087 120.338 120.200 0.085 0.000 2.278 650 E HA 0.462 4.812 4.350 -0.000 0.000 0.272 650 E C -1.717 174.914 176.600 0.052 0.000 0.890 650 E CA -0.597 55.839 56.400 0.061 0.000 0.770 650 E CB 1.957 31.660 29.700 0.006 0.000 1.212 650 E HN 0.085 nan 8.360 nan 0.000 0.415 651 L N 3.126 124.387 121.223 0.064 0.000 2.362 651 L HA 0.554 4.894 4.340 -0.000 0.000 0.275 651 L C -1.508 175.448 176.870 0.143 0.000 0.998 651 L CA -0.925 53.984 54.840 0.117 0.000 0.820 651 L CB 1.633 43.788 42.059 0.159 0.000 1.270 651 L HN 0.594 nan 8.230 nan 0.000 0.415 652 L N 4.879 126.222 121.223 0.200 0.000 2.265 652 L HA 0.422 4.762 4.340 -0.000 0.000 0.289 652 L C -0.598 176.500 176.870 0.380 0.000 1.033 652 L CA 0.140 55.129 54.840 0.248 0.000 0.814 652 L CB 0.387 42.584 42.059 0.231 0.000 1.203 652 L HN 0.547 nan 8.230 nan 0.000 0.423 653 H N 5.936 125.071 119.070 0.107 0.000 2.488 653 H HA 0.345 4.901 4.556 -0.000 0.000 0.322 653 H C -1.084 174.326 175.328 0.136 0.000 1.078 653 H CA -0.714 55.359 56.048 0.041 0.000 1.260 653 H CB 0.926 30.679 29.762 -0.015 0.000 1.425 653 H HN 0.702 nan 8.280 nan 0.000 0.471 654 W N 3.669 125.035 121.300 0.109 0.000 2.850 654 W HA 0.593 5.253 4.660 -0.000 0.000 0.349 654 W C -1.312 175.249 176.519 0.070 0.000 1.133 654 W CA -1.452 55.950 57.345 0.095 0.000 1.117 654 W CB 1.570 31.079 29.460 0.081 0.000 1.442 654 W HN 0.559 nan 8.180 nan 0.000 0.575 655 M N 1.466 121.419 119.600 0.588 0.000 2.389 655 M HA 0.518 4.998 4.480 -0.000 0.000 0.291 655 M C -2.668 173.874 176.300 0.402 0.000 1.128 655 M CA -0.465 55.040 55.300 0.341 0.000 0.942 655 M CB 1.856 34.489 32.600 0.055 0.000 1.783 655 M HN 0.129 nan 8.290 nan 0.000 0.501 656 V N 3.159 123.293 119.914 0.367 0.000 2.459 656 V HA 1.024 5.144 4.120 -0.000 0.000 0.295 656 V C -0.175 176.039 176.094 0.199 0.000 1.029 656 V CA 0.006 62.483 62.300 0.295 0.000 0.874 656 V CB 1.230 33.227 31.823 0.290 0.000 0.985 656 V HN 1.084 nan 8.190 nan 0.000 0.438 657 A N 4.488 127.435 122.820 0.212 0.000 2.515 657 A HA 0.879 5.199 4.320 -0.000 0.000 0.298 657 A C -1.525 176.192 177.584 0.220 0.000 1.059 657 A CA -0.592 51.540 52.037 0.159 0.000 0.698 657 A CB 1.767 20.821 19.000 0.089 0.000 1.289 657 A HN 0.870 nan 8.150 nan 0.000 0.404 658 L N 1.495 122.813 121.223 0.158 0.000 2.295 658 L HA 0.581 4.921 4.340 -0.000 0.000 0.281 658 L C -0.631 176.343 176.870 0.174 0.000 1.018 658 L CA 0.264 55.212 54.840 0.180 0.000 0.841 658 L CB 0.419 42.547 42.059 0.115 0.000 1.218 658 L HN 0.760 nan 8.230 nan 0.000 0.424 659 D N 4.476 125.047 120.400 0.285 0.000 2.751 659 D HA -0.198 4.442 4.640 -0.000 0.000 0.233 659 D C 1.115 177.439 176.300 0.041 0.000 1.149 659 D CA 1.624 55.771 54.000 0.245 0.000 0.682 659 D CB -1.114 39.802 40.800 0.192 0.000 1.068 659 D HN 1.168 nan 8.370 nan 0.000 0.429 660 G N -1.378 107.404 108.800 -0.030 0.000 2.234 660 G HA2 -0.350 3.610 3.960 -0.000 0.000 0.235 660 G HA3 -0.350 3.610 3.960 -0.000 0.000 0.235 660 G C 0.211 175.032 174.900 -0.132 0.000 0.997 660 G CA 0.378 45.354 45.100 -0.205 0.000 0.623 660 G HN 0.449 nan 8.290 nan 0.000 0.514 661 K N 1.985 122.361 120.400 -0.040 0.000 2.211 661 K HA 0.588 4.908 4.320 -0.000 0.000 0.275 661 K C -2.683 173.917 176.600 0.000 0.000 1.024 661 K CA -2.023 54.246 56.287 -0.030 0.000 0.887 661 K CB 1.923 34.417 32.500 -0.010 0.000 1.084 661 K HN 0.065 nan 8.250 nan 0.000 0.463 662 P HA 0.150 nan 4.420 nan 0.000 0.281 662 P C -0.258 177.050 177.300 0.013 0.000 1.252 662 P CA -0.213 62.884 63.100 -0.005 0.000 0.778 662 P CB 0.825 32.499 31.700 -0.043 0.000 0.895 663 L N 1.346 122.597 121.223 0.047 0.000 2.685 663 L HA 0.536 4.876 4.340 -0.000 0.000 0.235 663 L C 0.812 177.720 176.870 0.063 0.000 1.070 663 L CA 0.202 55.075 54.840 0.055 0.000 0.888 663 L CB 0.214 42.322 42.059 0.081 0.000 1.203 663 L HN 0.346 nan 8.230 nan 0.000 0.499 664 A N -0.143 122.727 122.820 0.083 0.000 2.577 664 A HA 0.718 5.038 4.320 -0.000 0.000 0.297 664 A C -0.964 176.559 177.584 -0.102 0.000 1.060 664 A CA -0.340 51.744 52.037 0.078 0.000 0.697 664 A CB 1.492 20.665 19.000 0.287 0.000 1.281 664 A HN -0.001 nan 8.150 nan 0.000 0.402 665 S N -0.283 115.130 115.700 -0.478 0.000 2.595 665 S HA 0.985 5.455 4.470 -0.000 0.000 0.281 665 S C -0.077 173.661 174.600 -1.438 0.000 1.117 665 S CA -0.318 57.319 58.200 -0.939 0.000 0.873 665 S CB 2.015 64.920 63.200 -0.492 0.000 1.108 665 S HN 2.156 nan 8.310 nan 0.000 0.477 666 G N 0.032 107.702 108.800 -1.884 0.000 2.623 666 G HA2 0.633 4.593 3.960 -0.000 0.000 0.290 666 G HA3 0.633 4.593 3.960 -0.000 0.000 0.290 666 G C -2.223 172.160 174.900 -0.862 0.000 1.437 666 G CA -0.654 43.666 45.100 -1.300 0.000 0.798 666 G HN 0.608 nan 8.290 nan 0.000 0.488 667 E N -1.006 119.010 120.200 -0.306 0.000 2.292 667 E HA 0.626 4.976 4.350 -0.000 0.000 0.272 667 E C -1.343 175.306 176.600 0.082 0.000 0.881 667 E CA -0.649 55.664 56.400 -0.145 0.000 0.754 667 E CB 3.066 32.620 29.700 -0.242 0.000 1.201 667 E HN 0.348 nan 8.360 nan 0.000 0.425 668 V N 3.812 123.824 119.914 0.164 0.000 2.808 668 V HA 0.464 4.584 4.120 -0.000 0.000 0.308 668 V C -2.548 173.633 176.094 0.144 0.000 1.099 668 V CA -1.778 60.618 62.300 0.161 0.000 0.920 668 V CB 2.215 34.154 31.823 0.193 0.000 1.014 668 V HN 0.569 nan 8.190 nan 0.000 0.425 669 P HA 0.428 nan 4.420 nan 0.000 0.290 669 P C -0.885 176.467 177.300 0.087 0.000 1.276 669 P CA -0.376 62.782 63.100 0.097 0.000 0.808 669 P CB 1.132 32.884 31.700 0.086 0.000 0.966 670 L N 2.735 123.995 121.223 0.062 0.000 2.371 670 L HA 0.302 4.642 4.340 -0.000 0.000 0.272 670 L C 0.437 177.346 176.870 0.065 0.000 1.124 670 L CA 0.367 55.227 54.840 0.032 0.000 0.816 670 L CB 0.402 42.418 42.059 -0.071 0.000 1.129 670 L HN 0.351 nan 8.230 nan 0.000 0.448 671 D N 2.272 122.711 120.400 0.065 0.000 2.517 671 D HA 0.355 4.995 4.640 -0.000 0.000 0.263 671 D C -1.268 175.024 176.300 -0.014 0.000 1.233 671 D CA -0.089 53.984 54.000 0.123 0.000 0.849 671 D CB 0.904 41.822 40.800 0.197 0.000 1.261 671 D HN 0.084 nan 8.370 nan 0.000 0.516 672 V N 0.566 120.327 119.914 -0.256 0.000 2.540 672 V HA 0.901 5.021 4.120 -0.000 0.000 0.302 672 V C 0.645 176.469 176.094 -0.449 0.000 1.035 672 V CA -1.362 60.829 62.300 -0.181 0.000 0.873 672 V CB 1.423 33.273 31.823 0.045 0.000 0.992 672 V HN 0.420 nan 8.190 nan 0.000 0.428 673 A N 5.653 128.382 122.820 -0.152 0.000 2.351 673 A HA 0.766 5.086 4.320 -0.000 0.000 0.257 673 A C -2.341 175.255 177.584 0.020 0.000 1.087 673 A CA -1.623 50.424 52.037 0.017 0.000 0.798 673 A CB -0.068 19.012 19.000 0.132 0.000 1.033 673 A HN 0.719 nan 8.150 nan 0.000 0.488 674 P HA 0.030 nan 4.420 nan 0.000 0.261 674 P C -0.486 176.813 177.300 -0.002 0.000 1.183 674 P CA 0.662 63.778 63.100 0.026 0.000 0.761 674 P CB 0.362 32.060 31.700 -0.002 0.000 0.785 675 Q N -0.762 119.026 119.800 -0.020 0.000 2.416 675 Q HA -0.161 4.179 4.340 -0.000 0.000 0.235 675 Q C 0.690 176.686 176.000 -0.006 0.000 0.773 675 Q CA 1.301 57.085 55.803 -0.031 0.000 1.286 675 Q CB -2.213 26.494 28.738 -0.051 0.000 1.556 675 Q HN 0.762 nan 8.270 nan 0.000 0.650 676 G N 0.267 109.075 108.800 0.015 0.000 2.705 676 G HA2 0.641 4.601 3.960 -0.000 0.000 0.299 676 G HA3 0.641 4.601 3.960 -0.000 0.000 0.299 676 G C -0.638 174.283 174.900 0.035 0.000 1.315 676 G CA -0.626 44.490 45.100 0.027 0.000 1.045 676 G HN -0.036 nan 8.290 nan 0.000 0.517 677 K N -0.542 119.881 120.400 0.040 0.000 2.328 677 K HA 0.499 4.819 4.320 -0.000 0.000 0.246 677 K C -0.912 175.720 176.600 0.054 0.000 0.955 677 K CA -0.567 55.748 56.287 0.045 0.000 0.817 677 K CB 2.408 34.930 32.500 0.036 0.000 1.208 677 K HN 0.511 nan 8.250 nan 0.000 0.432 678 Q N 3.114 122.952 119.800 0.063 0.000 2.289 678 Q HA 0.359 4.699 4.340 -0.000 0.000 0.270 678 Q C -1.665 174.375 176.000 0.067 0.000 1.038 678 Q CA -0.628 55.214 55.803 0.066 0.000 0.812 678 Q CB 1.355 30.136 28.738 0.072 0.000 1.300 678 Q HN 0.534 nan 8.270 nan 0.000 0.427 679 L N 5.220 126.474 121.223 0.052 0.000 2.282 679 L HA 0.546 4.886 4.340 -0.000 0.000 0.288 679 L C -0.437 176.453 176.870 0.034 0.000 1.033 679 L CA -0.648 54.215 54.840 0.038 0.000 0.807 679 L CB 1.239 43.310 42.059 0.021 0.000 1.209 679 L HN 0.605 nan 8.230 nan 0.000 0.423 680 I N 3.174 123.759 120.570 0.025 0.000 2.382 680 I HA 0.228 4.398 4.170 -0.000 0.000 0.286 680 I C -0.151 175.937 176.117 -0.049 0.000 1.002 680 I CA -0.680 60.626 61.300 0.008 0.000 1.135 680 I CB 1.897 39.919 38.000 0.037 0.000 1.288 680 I HN 0.485 nan 8.210 nan 0.000 0.448 681 E N 6.792 126.964 120.200 -0.046 0.000 2.180 681 E HA 0.356 4.706 4.350 -0.000 0.000 0.283 681 E C -0.590 175.937 176.600 -0.122 0.000 1.061 681 E CA -0.290 56.065 56.400 -0.075 0.000 0.861 681 E CB 1.296 30.971 29.700 -0.041 0.000 1.056 681 E HN 0.474 nan 8.360 nan 0.000 0.407 682 L N 6.128 127.235 121.223 -0.193 0.000 2.326 682 L HA 0.296 4.636 4.340 -0.000 0.000 0.278 682 L C -1.775 174.981 176.870 -0.189 0.000 1.092 682 L CA -1.825 52.838 54.840 -0.296 0.000 0.810 682 L CB 1.027 42.815 42.059 -0.453 0.000 1.153 682 L HN 0.245 nan 8.230 nan 0.000 0.439 683 P HA -0.021 nan 4.420 nan 0.000 0.270 683 P C -0.472 176.783 177.300 -0.074 0.000 1.223 683 P CA -0.295 62.775 63.100 -0.051 0.000 0.785 683 P CB 0.509 32.238 31.700 0.047 0.000 0.923 684 E N 0.818 120.998 120.200 -0.033 0.000 2.480 684 E HA 0.039 4.389 4.350 -0.000 0.000 0.258 684 E C -0.251 176.339 176.600 -0.017 0.000 0.984 684 E CA 0.014 56.394 56.400 -0.034 0.000 0.930 684 E CB 0.144 29.832 29.700 -0.019 0.000 0.936 684 E HN 0.325 nan 8.360 nan 0.000 0.466 685 L N 6.451 127.651 121.223 -0.039 0.000 2.350 685 L HA 0.303 4.643 4.340 -0.000 0.000 0.275 685 L C -1.869 175.008 176.870 0.012 0.000 1.099 685 L CA -2.112 52.719 54.840 -0.014 0.000 0.808 685 L CB 0.528 42.557 42.059 -0.050 0.000 1.149 685 L HN 0.424 nan 8.230 nan 0.000 0.442 686 P HA 0.055 nan 4.420 nan 0.000 0.268 686 P C -1.140 176.177 177.300 0.028 0.000 1.205 686 P CA -0.196 62.929 63.100 0.042 0.000 0.771 686 P CB 0.529 32.268 31.700 0.064 0.000 0.858 687 Q N 2.218 122.030 119.800 0.020 0.000 2.965 687 Q HA 0.265 4.605 4.340 -0.000 0.000 0.288 687 Q C -2.070 173.940 176.000 0.017 0.000 0.974 687 Q CA -1.505 54.306 55.803 0.013 0.000 0.849 687 Q CB 0.410 29.149 28.738 0.002 0.000 1.280 687 Q HN 0.424 nan 8.270 nan 0.000 0.441 688 P HA -0.045 nan 4.420 nan 0.000 0.267 688 P C -0.012 177.301 177.300 0.022 0.000 1.201 688 P CA 0.150 63.266 63.100 0.027 0.000 0.775 688 P CB 1.239 32.961 31.700 0.037 0.000 0.854 689 E N -0.119 120.094 120.200 0.021 0.000 2.201 689 E HA 0.024 4.374 4.350 -0.000 0.000 0.193 689 E C 0.470 177.084 176.600 0.023 0.000 0.957 689 E CA 0.380 56.791 56.400 0.019 0.000 0.858 689 E CB -0.322 29.388 29.700 0.017 0.000 0.816 689 E HN 0.525 nan 8.360 nan 0.000 0.475 690 S N 1.630 117.347 115.700 0.027 0.000 2.550 690 S HA 0.179 4.649 4.470 -0.000 0.000 0.285 690 S C 0.409 175.032 174.600 0.038 0.000 1.326 690 S CA 0.018 58.238 58.200 0.033 0.000 1.037 690 S CB 0.661 63.883 63.200 0.035 0.000 0.838 690 S HN 0.275 nan 8.310 nan 0.000 0.519 691 A N 1.578 124.423 122.820 0.042 0.000 2.322 691 A HA 0.793 5.113 4.320 -0.000 0.000 0.269 691 A C 0.889 178.510 177.584 0.062 0.000 1.094 691 A CA 0.210 52.274 52.037 0.047 0.000 0.807 691 A CB -0.049 18.980 19.000 0.048 0.000 1.047 691 A HN 1.883 nan 8.150 nan 0.000 0.487 692 G N -0.141 108.698 108.800 0.065 0.000 2.346 692 G HA2 0.304 4.264 3.960 -0.000 0.000 0.294 692 G HA3 0.304 4.264 3.960 -0.000 0.000 0.294 692 G C -1.283 173.664 174.900 0.079 0.000 1.294 692 G CA -0.855 44.302 45.100 0.095 0.000 0.962 692 G HN 0.859 nan 8.290 nan 0.000 0.508 693 Q N -0.632 119.248 119.800 0.134 0.000 2.307 693 Q HA 0.620 4.960 4.340 -0.000 0.000 0.262 693 Q C -0.800 175.291 176.000 0.153 0.000 0.961 693 Q CA -0.761 55.083 55.803 0.069 0.000 0.882 693 Q CB 2.351 31.161 28.738 0.120 0.000 1.264 693 Q HN 0.513 nan 8.270 nan 0.000 0.446 694 L N 3.520 124.725 121.223 -0.030 0.000 2.275 694 L HA 0.499 4.839 4.340 -0.000 0.000 0.288 694 L C -1.787 175.046 176.870 -0.061 0.000 1.046 694 L CA 0.058 54.931 54.840 0.055 0.000 0.805 694 L CB 0.497 42.559 42.059 0.006 0.000 1.193 694 L HN 0.569 nan 8.230 nan 0.000 0.426 695 W N 5.447 126.813 121.300 0.111 0.000 2.915 695 W HA 0.565 5.225 4.660 -0.000 0.000 0.337 695 W C -1.117 175.510 176.519 0.179 0.000 1.102 695 W CA -0.680 56.754 57.345 0.148 0.000 1.224 695 W CB 1.726 31.299 29.460 0.188 0.000 1.416 695 W HN 0.292 nan 8.180 nan 0.000 0.503 696 L N 2.986 124.506 121.223 0.496 0.000 2.307 696 L HA 0.792 5.132 4.340 -0.000 0.000 0.284 696 L C -0.370 176.804 176.870 0.507 0.000 1.023 696 L CA 0.176 55.281 54.840 0.443 0.000 0.810 696 L CB 1.355 43.621 42.059 0.345 0.000 1.231 696 L HN 0.340 nan 8.230 nan 0.000 0.423 697 T N 4.962 119.756 114.554 0.401 0.000 2.848 697 T HA 0.663 5.013 4.350 -0.000 0.000 0.285 697 T C -0.830 174.046 174.700 0.294 0.000 0.995 697 T CA -0.430 61.852 62.100 0.303 0.000 0.970 697 T CB 1.576 70.560 68.868 0.193 0.000 0.976 697 T HN 0.601 nan 8.240 nan 0.000 0.441 698 V N 1.686 121.726 119.914 0.209 0.000 2.715 698 V HA 0.855 4.975 4.120 -0.000 0.000 0.310 698 V C -0.631 175.520 176.094 0.094 0.000 1.054 698 V CA -1.127 61.265 62.300 0.154 0.000 0.928 698 V CB 1.858 33.696 31.823 0.025 0.000 1.007 698 V HN 0.795 nan 8.190 nan 0.000 0.437 699 R N 2.098 122.680 120.500 0.137 0.000 2.673 699 R HA 0.802 5.142 4.340 -0.000 0.000 0.281 699 R C -1.630 174.749 176.300 0.131 0.000 0.991 699 R CA -0.666 55.522 56.100 0.147 0.000 0.896 699 R CB 2.684 33.018 30.300 0.056 0.000 1.201 699 R HN 0.712 nan 8.270 nan 0.000 0.457 700 V N 3.723 123.746 119.914 0.182 0.000 2.398 700 V HA 0.444 4.564 4.120 -0.000 0.000 0.286 700 V C -0.426 175.712 176.094 0.073 0.000 1.026 700 V CA -0.619 61.762 62.300 0.134 0.000 0.868 700 V CB 1.720 33.649 31.823 0.177 0.000 0.982 700 V HN 0.437 nan 8.190 nan 0.000 0.443 701 V N 4.734 124.640 119.914 -0.013 0.000 2.628 701 V HA 0.444 4.564 4.120 -0.000 0.000 0.306 701 V C -0.329 175.789 176.094 0.040 0.000 1.045 701 V CA -0.815 61.460 62.300 -0.042 0.000 0.905 701 V CB 1.983 33.672 31.823 -0.224 0.000 0.997 701 V HN 0.872 nan 8.190 nan 0.000 0.436 702 Q N 4.522 124.371 119.800 0.082 0.000 2.421 702 Q HA 0.272 4.612 4.340 -0.000 0.000 0.242 702 Q C -1.782 174.244 176.000 0.043 0.000 1.024 702 Q CA -1.785 54.073 55.803 0.091 0.000 0.891 702 Q CB 1.875 30.689 28.738 0.126 0.000 1.222 702 Q HN 0.488 nan 8.270 nan 0.000 0.483 703 P HA -0.197 nan 4.420 nan 0.000 0.215 703 P C -0.581 176.724 177.300 0.009 0.000 1.157 703 P CA 1.350 64.467 63.100 0.029 0.000 0.868 703 P CB 0.319 32.043 31.700 0.041 0.000 0.788 704 N N -0.873 117.825 118.700 -0.003 0.000 2.456 704 N HA 0.459 5.199 4.740 -0.000 0.000 0.296 704 N C -0.359 175.107 175.510 -0.074 0.000 1.102 704 N CA -0.708 52.325 53.050 -0.028 0.000 0.924 704 N CB 0.872 39.345 38.487 -0.023 0.000 1.186 704 N HN -0.020 nan 8.380 nan 0.000 0.492 705 A N 0.493 123.260 122.820 -0.088 0.000 2.346 705 A HA 0.544 4.864 4.320 -0.000 0.000 0.252 705 A C 0.547 178.009 177.584 -0.204 0.000 1.089 705 A CA -0.072 51.874 52.037 -0.152 0.000 0.797 705 A CB 0.016 18.950 19.000 -0.110 0.000 1.047 705 A HN 0.737 nan 8.150 nan 0.000 0.494 706 T N -3.511 110.837 114.554 -0.344 0.000 2.742 706 T HA 0.627 4.977 4.350 -0.000 0.000 0.282 706 T C 0.853 175.361 174.700 -0.320 0.000 1.025 706 T CA 0.071 61.937 62.100 -0.391 0.000 1.020 706 T CB 1.077 69.449 68.868 -0.827 0.000 1.317 706 T HN 1.352 nan 8.240 nan 0.000 0.538 707 A N -0.216 122.490 122.820 -0.189 0.000 2.119 707 A HA 0.161 4.481 4.320 -0.000 0.000 0.217 707 A C 1.573 179.262 177.584 0.175 0.000 1.153 707 A CA 0.788 52.858 52.037 0.054 0.000 0.692 707 A CB -0.805 18.318 19.000 0.205 0.000 0.799 707 A HN 0.897 nan 8.150 nan 0.000 0.458 708 W N -0.761 120.590 121.300 0.085 0.000 2.714 708 W HA 0.412 5.072 4.660 -0.000 0.000 0.353 708 W C -0.132 176.351 176.519 -0.060 0.000 0.999 708 W CA 0.459 57.818 57.345 0.023 0.000 1.629 708 W CB -1.003 28.465 29.460 0.013 0.000 1.106 708 W HN 0.395 nan 8.180 nan 0.000 0.545 709 S N 0.428 115.730 115.700 -0.664 0.000 2.556 709 S HA 0.443 4.913 4.470 -0.000 0.000 0.271 709 S C -0.514 173.855 174.600 -0.385 0.000 1.135 709 S CA -0.704 57.118 58.200 -0.631 0.000 0.858 709 S CB 2.767 65.214 63.200 -1.255 0.000 1.114 709 S HN 0.101 nan 8.310 nan 0.000 0.468 710 E N 0.874 120.957 120.200 -0.195 0.000 2.322 710 E HA 0.572 4.922 4.350 -0.000 0.000 0.257 710 E C 0.252 176.814 176.600 -0.065 0.000 1.155 710 E CA -0.886 55.459 56.400 -0.093 0.000 0.936 710 E CB 0.883 30.576 29.700 -0.012 0.000 1.130 710 E HN 0.874 nan 8.360 nan 0.000 0.465 711 A N -0.202 122.596 122.820 -0.037 0.000 2.407 711 A HA 0.450 4.770 4.320 -0.000 0.000 0.248 711 A C 1.035 178.629 177.584 0.017 0.000 1.082 711 A CA 0.537 52.565 52.037 -0.017 0.000 0.785 711 A CB -0.235 18.756 19.000 -0.015 0.000 1.020 711 A HN 0.779 nan 8.150 nan 0.000 0.489 712 G N 0.333 109.148 108.800 0.026 0.000 2.136 712 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.242 712 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.242 712 G C 0.141 175.069 174.900 0.047 0.000 0.989 712 G CA 0.684 45.796 45.100 0.019 0.000 0.682 712 G HN 1.612 nan 8.290 nan 0.000 0.522 713 H N 0.450 119.512 119.070 -0.014 0.000 2.764 713 H HA 0.495 5.051 4.556 -0.000 0.000 0.341 713 H C 0.504 175.876 175.328 0.072 0.000 1.072 713 H CA -0.432 55.634 56.048 0.030 0.000 1.444 713 H CB 0.314 30.084 29.762 0.014 0.000 1.458 713 H HN 0.050 nan 8.280 nan 0.000 0.572 714 I N 4.763 125.064 120.570 -0.449 0.000 2.325 714 I HA 0.012 4.182 4.170 -0.000 0.000 0.291 714 I C 1.060 177.060 176.117 -0.195 0.000 1.019 714 I CA 0.153 61.325 61.300 -0.212 0.000 1.302 714 I CB 0.850 38.764 38.000 -0.143 0.000 1.401 714 I HN 0.839 nan 8.210 nan 0.000 0.485 715 S N 4.052 119.849 115.700 0.163 0.000 2.526 715 S HA 0.624 5.094 4.470 -0.000 0.000 0.220 715 S C 0.499 175.366 174.600 0.446 0.000 1.017 715 S CA 0.060 58.483 58.200 0.372 0.000 0.930 715 S CB 0.721 64.248 63.200 0.546 0.000 0.856 715 S HN 0.720 nan 8.310 nan 0.000 0.497 716 A N 0.552 123.672 122.820 0.499 0.000 2.608 716 A HA 0.699 5.019 4.320 -0.000 0.000 0.292 716 A C -1.787 176.176 177.584 0.632 0.000 1.066 716 A CA -0.915 51.407 52.037 0.475 0.000 0.676 716 A CB 0.441 19.764 19.000 0.539 0.000 1.277 716 A HN 0.914 nan 8.150 nan 0.000 0.413 717 W N -0.455 121.008 121.300 0.271 0.000 2.959 717 W HA 0.812 5.472 4.660 -0.000 0.000 0.358 717 W C -1.155 175.391 176.519 0.046 0.000 1.228 717 W CA -0.635 56.752 57.345 0.069 0.000 1.183 717 W CB 1.167 30.610 29.460 -0.028 0.000 1.467 717 W HN 1.069 nan 8.180 nan 0.000 0.578 718 Q N 1.447 121.283 119.800 0.060 0.000 2.617 718 Q HA 0.334 4.674 4.340 -0.000 0.000 0.270 718 Q C -1.759 174.013 176.000 -0.379 0.000 0.967 718 Q CA -0.591 55.064 55.803 -0.247 0.000 0.887 718 Q CB 2.149 30.569 28.738 -0.531 0.000 1.516 718 Q HN 0.670 nan 8.270 nan 0.000 0.395 719 Q N 2.541 122.055 119.800 -0.477 0.000 2.416 719 Q HA 0.727 5.067 4.340 -0.000 0.000 0.281 719 Q C -1.460 174.396 176.000 -0.239 0.000 1.067 719 Q CA -0.591 55.100 55.803 -0.186 0.000 0.809 719 Q CB 1.743 30.564 28.738 0.138 0.000 1.418 719 Q HN 0.629 nan 8.270 nan 0.000 0.411 720 W N 2.003 123.496 121.300 0.320 0.000 3.032 720 W HA 0.463 5.123 4.660 -0.000 0.000 0.335 720 W C -0.535 175.987 176.519 0.004 0.000 1.154 720 W CA -0.854 56.597 57.345 0.177 0.000 1.204 720 W CB 2.082 31.584 29.460 0.069 0.000 1.416 720 W HN 0.683 nan 8.180 nan 0.000 0.521 721 R N 2.263 122.646 120.500 -0.195 0.000 2.216 721 R HA 0.284 4.624 4.340 -0.000 0.000 0.332 721 R C 0.744 176.831 176.300 -0.355 0.000 1.056 721 R CA -0.047 55.552 56.100 -0.836 0.000 0.901 721 R CB 0.556 30.160 30.300 -1.159 0.000 1.039 721 R HN 0.600 nan 8.270 nan 0.000 0.456 722 L N 2.964 124.016 121.223 -0.285 0.000 2.202 722 L HA 0.304 4.644 4.340 -0.000 0.000 0.205 722 L C 0.719 177.493 176.870 -0.159 0.000 1.083 722 L CA 0.591 55.339 54.840 -0.153 0.000 0.790 722 L CB 0.061 42.072 42.059 -0.080 0.000 0.942 722 L HN 0.704 nan 8.230 nan 0.000 0.452 723 A N -0.466 122.239 122.820 -0.192 0.000 2.564 723 A HA 0.619 4.939 4.320 -0.000 0.000 0.291 723 A C -1.537 175.959 177.584 -0.147 0.000 1.102 723 A CA -0.437 51.517 52.037 -0.138 0.000 0.660 723 A CB 1.712 20.664 19.000 -0.079 0.000 1.283 723 A HN 0.008 nan 8.150 nan 0.000 0.430 724 E N 0.540 120.685 120.200 -0.092 0.000 2.291 724 E HA 0.399 4.749 4.350 -0.000 0.000 0.276 724 E C -1.770 174.815 176.600 -0.026 0.000 0.896 724 E CA -0.606 55.756 56.400 -0.064 0.000 0.774 724 E CB 1.226 30.881 29.700 -0.075 0.000 1.227 724 E HN 0.595 nan 8.360 nan 0.000 0.413 725 N N 5.096 123.794 118.700 -0.003 0.000 2.476 725 N HA 0.292 5.032 4.740 -0.000 0.000 0.257 725 N C -0.447 175.074 175.510 0.019 0.000 0.970 725 N CA -0.360 52.695 53.050 0.008 0.000 0.938 725 N CB 1.330 39.826 38.487 0.015 0.000 1.144 725 N HN 0.496 nan 8.380 nan 0.000 0.500 726 L N 0.875 122.109 121.223 0.017 0.000 2.456 726 L HA 0.080 4.420 4.340 -0.000 0.000 0.272 726 L C 1.219 178.108 176.870 0.032 0.000 1.189 726 L CA 0.185 55.041 54.840 0.026 0.000 0.846 726 L CB 0.588 42.660 42.059 0.022 0.000 1.111 726 L HN 0.382 nan 8.230 nan 0.000 0.475 727 S N 1.723 117.447 115.700 0.041 0.000 2.439 727 S HA 0.255 4.725 4.470 -0.000 0.000 0.282 727 S C 0.342 174.965 174.600 0.037 0.000 1.170 727 S CA -0.900 57.325 58.200 0.041 0.000 1.054 727 S CB 0.607 63.837 63.200 0.050 0.000 0.956 727 S HN 0.421 nan 8.310 nan 0.000 0.490 728 V N 3.077 123.010 119.914 0.031 0.000 3.063 728 V HA 0.382 4.502 4.120 -0.000 0.000 0.379 728 V C 0.529 176.639 176.094 0.028 0.000 1.310 728 V CA -0.292 62.025 62.300 0.028 0.000 1.333 728 V CB -1.041 30.796 31.823 0.023 0.000 1.331 728 V HN 0.821 nan 8.190 nan 0.000 0.527 729 T N -0.430 114.143 114.554 0.032 0.000 2.918 729 T HA 0.804 5.154 4.350 -0.000 0.000 0.286 729 T C -0.621 174.098 174.700 0.031 0.000 1.026 729 T CA -0.736 61.383 62.100 0.030 0.000 1.031 729 T CB 2.083 70.968 68.868 0.029 0.000 1.046 729 T HN 0.271 nan 8.240 nan 0.000 0.479 730 L N 3.065 124.304 121.223 0.027 0.000 2.296 730 L HA 0.554 4.894 4.340 -0.000 0.000 0.286 730 L C -1.887 174.997 176.870 0.023 0.000 1.023 730 L CA -1.944 52.911 54.840 0.025 0.000 0.812 730 L CB 0.516 42.588 42.059 0.021 0.000 1.223 730 L HN 0.577 nan 8.230 nan 0.000 0.421 731 P HA 0.331 nan 4.420 nan 0.000 0.271 731 P C -0.501 176.805 177.300 0.010 0.000 1.216 731 P CA -0.405 62.705 63.100 0.017 0.000 0.776 731 P CB 1.092 32.803 31.700 0.018 0.000 0.881 732 A N 2.503 125.326 122.820 0.003 0.000 2.313 732 A HA 0.563 4.883 4.320 -0.000 0.000 0.261 732 A C 0.565 178.134 177.584 -0.025 0.000 1.090 732 A CA -0.173 51.863 52.037 -0.001 0.000 0.807 732 A CB -0.264 18.740 19.000 0.007 0.000 1.055 732 A HN 0.745 nan 8.150 nan 0.000 0.492 733 A N 0.825 123.636 122.820 -0.015 0.000 2.547 733 A HA 0.467 4.787 4.320 -0.000 0.000 0.233 733 A C 0.837 178.322 177.584 -0.165 0.000 1.067 733 A CA 0.578 52.596 52.037 -0.031 0.000 0.763 733 A CB -0.522 18.503 19.000 0.042 0.000 1.007 733 A HN 1.671 nan 8.150 nan 0.000 0.506 734 S N 0.380 115.989 115.700 -0.151 0.000 2.638 734 S HA 0.571 5.041 4.470 -0.000 0.000 0.298 734 S C 0.113 174.586 174.600 -0.212 0.000 1.111 734 S CA -0.718 57.336 58.200 -0.243 0.000 1.027 734 S CB 0.895 64.040 63.200 -0.092 0.000 1.064 734 S HN 0.662 nan 8.310 nan 0.000 0.525 735 H N -0.099 118.983 119.070 0.020 0.000 2.586 735 H HA 0.634 5.190 4.556 -0.000 0.000 0.273 735 H C 0.492 175.829 175.328 0.014 0.000 0.997 735 H CA 0.464 56.521 56.048 0.015 0.000 1.177 735 H CB 0.062 29.832 29.762 0.013 0.000 1.471 735 H HN 0.802 nan 8.280 nan 0.000 0.538 736 A N 0.789 123.662 122.820 0.087 0.000 2.599 736 A HA 0.622 4.942 4.320 -0.000 0.000 0.290 736 A C -0.910 176.700 177.584 0.043 0.000 1.101 736 A CA -0.754 51.322 52.037 0.066 0.000 0.674 736 A CB 1.329 20.370 19.000 0.069 0.000 1.277 736 A HN 0.192 nan 8.150 nan 0.000 0.419 737 I N -1.979 118.618 120.570 0.045 0.000 3.002 737 I HA 0.838 5.008 4.170 -0.000 0.000 0.310 737 I C -2.867 173.291 176.117 0.069 0.000 1.087 737 I CA -2.756 58.569 61.300 0.040 0.000 1.017 737 I CB 2.107 40.121 38.000 0.024 0.000 1.226 737 I HN 0.346 nan 8.210 nan 0.000 0.443 738 P HA 0.086 nan 4.420 nan 0.000 0.271 738 P C -1.404 175.990 177.300 0.157 0.000 1.233 738 P CA 0.202 63.366 63.100 0.106 0.000 0.789 738 P CB 0.207 31.934 31.700 0.045 0.000 0.951 739 H N 1.457 120.559 119.070 0.053 0.000 2.539 739 H HA 0.389 4.945 4.556 -0.000 0.000 0.332 739 H C -0.988 174.370 175.328 0.050 0.000 1.031 739 H CA -1.049 55.023 56.048 0.040 0.000 1.206 739 H CB 0.945 30.732 29.762 0.042 0.000 1.446 739 H HN 0.205 nan 8.280 nan 0.000 0.496 740 L N 4.241 125.340 121.223 -0.207 0.000 2.421 740 L HA 0.370 4.710 4.340 -0.000 0.000 0.263 740 L C -0.600 176.079 176.870 -0.318 0.000 1.122 740 L CA 0.277 54.980 54.840 -0.228 0.000 0.804 740 L CB 1.656 43.645 42.059 -0.117 0.000 1.150 740 L HN 0.704 nan 8.230 nan 0.000 0.457 741 T N 2.288 116.764 114.554 -0.130 0.000 3.483 741 T HA 0.292 4.642 4.350 -0.000 0.000 0.329 741 T C -0.943 173.814 174.700 0.094 0.000 1.014 741 T CA -0.434 61.634 62.100 -0.053 0.000 1.056 741 T CB 0.907 69.723 68.868 -0.087 0.000 1.090 741 T HN 0.714 nan 8.240 nan 0.000 0.460 742 T N 2.888 117.516 114.554 0.125 0.000 2.799 742 T HA 0.652 5.002 4.350 -0.000 0.000 0.286 742 T C 0.294 175.053 174.700 0.098 0.000 0.973 742 T CA -0.391 61.836 62.100 0.211 0.000 1.035 742 T CB 1.410 70.422 68.868 0.239 0.000 0.932 742 T HN 0.569 nan 8.240 nan 0.000 0.469 743 S N 1.781 117.514 115.700 0.056 0.000 2.837 743 S HA 0.431 4.901 4.470 -0.000 0.000 0.314 743 S C 0.915 175.493 174.600 -0.038 0.000 1.098 743 S CA -0.614 57.589 58.200 0.005 0.000 0.903 743 S CB 1.577 64.777 63.200 0.000 0.000 1.310 743 S HN 0.728 nan 8.310 nan 0.000 0.581 744 E N -0.614 119.558 120.200 -0.047 0.000 2.216 744 E HA 0.102 4.452 4.350 -0.000 0.000 0.192 744 E C 1.532 178.063 176.600 -0.116 0.000 0.973 744 E CA 0.370 56.729 56.400 -0.068 0.000 0.851 744 E CB 0.018 29.695 29.700 -0.039 0.000 0.804 744 E HN 0.529 nan 8.360 nan 0.000 0.477 745 M N 1.007 120.549 119.600 -0.097 0.000 2.476 745 M HA 0.107 4.587 4.480 -0.000 0.000 0.262 745 M C -0.173 176.046 176.300 -0.136 0.000 1.111 745 M CA 0.804 56.049 55.300 -0.092 0.000 1.127 745 M CB -0.521 32.056 32.600 -0.038 0.000 1.376 745 M HN 0.023 nan 8.290 nan 0.000 0.465 746 D N -1.715 118.582 120.400 -0.170 0.000 2.692 746 D HA 0.473 5.113 4.640 -0.000 0.000 0.290 746 D C -1.062 175.130 176.300 -0.181 0.000 1.281 746 D CA -0.681 53.208 54.000 -0.185 0.000 0.804 746 D CB 0.703 41.505 40.800 0.003 0.000 1.331 746 D HN -0.056 nan 8.370 nan 0.000 0.432 750 E N 4.461 124.793 120.200 0.222 0.000 2.317 750 E HA 0.811 5.160 4.350 -0.000 0.000 0.270 750 E C -1.877 174.891 176.600 0.280 0.000 0.885 750 E CA -0.728 55.815 56.400 0.238 0.000 0.760 750 E CB 3.259 33.028 29.700 0.114 0.000 1.227 750 E HN 0.531 nan 8.360 nan 0.000 0.434 751 L N 4.472 125.857 121.223 0.270 0.000 2.673 751 L HA 0.513 4.853 4.340 -0.000 0.000 0.255 751 L C -0.103 176.848 176.870 0.135 0.000 1.015 751 L CA 0.741 55.719 54.840 0.231 0.000 0.930 751 L CB 0.794 43.039 42.059 0.311 0.000 1.185 751 L HN 0.803 nan 8.230 nan 0.000 0.457 752 G N 3.519 112.367 108.800 0.080 0.000 2.509 752 G HA2 -0.367 3.593 3.960 -0.000 0.000 0.256 752 G HA3 -0.367 3.593 3.960 -0.000 0.000 0.256 752 G C 0.554 175.451 174.900 -0.004 0.000 1.152 752 G CA 0.402 45.523 45.100 0.035 0.000 0.951 752 G HN 0.874 nan 8.290 nan 0.000 0.559 753 N N 1.190 119.872 118.700 -0.030 0.000 2.331 753 N HA 0.007 4.747 4.740 -0.000 0.000 0.180 753 N C 0.839 176.284 175.510 -0.108 0.000 1.019 753 N CA 1.411 54.423 53.050 -0.062 0.000 0.881 753 N CB -0.206 38.246 38.487 -0.058 0.000 0.972 753 N HN 0.774 nan 8.380 nan 0.000 0.435 754 K N 0.598 120.907 120.400 -0.151 0.000 2.350 754 K HA 0.270 4.590 4.320 -0.000 0.000 0.279 754 K C -0.113 176.265 176.600 -0.371 0.000 1.027 754 K CA 0.000 56.065 56.287 -0.370 0.000 0.969 754 K CB 1.036 33.238 32.500 -0.498 0.000 0.954 754 K HN 0.066 nan 8.250 nan 0.000 0.474 755 R N 1.860 122.065 120.500 -0.491 0.000 2.698 755 R HA 0.400 4.740 4.340 -0.000 0.000 0.275 755 R C -1.557 174.649 176.300 -0.156 0.000 1.001 755 R CA -0.667 55.337 56.100 -0.159 0.000 0.896 755 R CB 1.484 31.747 30.300 -0.061 0.000 1.218 755 R HN 0.592 nan 8.270 nan 0.000 0.462 756 W N 2.840 124.250 121.300 0.184 0.000 2.883 756 W HA 0.329 4.989 4.660 -0.000 0.000 0.335 756 W C -0.753 175.853 176.519 0.146 0.000 1.083 756 W CA -0.530 56.880 57.345 0.108 0.000 1.233 756 W CB 2.236 31.728 29.460 0.053 0.000 1.412 756 W HN 0.420 nan 8.180 nan 0.000 0.490 757 Q N 2.598 122.544 119.800 0.242 0.000 2.340 757 Q HA 0.488 4.828 4.340 -0.000 0.000 0.268 757 Q C -1.995 173.949 176.000 -0.094 0.000 1.031 757 Q CA -0.516 55.415 55.803 0.212 0.000 0.804 757 Q CB 1.842 30.774 28.738 0.323 0.000 1.286 757 Q HN 0.368 nan 8.270 nan 0.000 0.448 758 F N 2.764 122.803 119.950 0.148 0.000 2.426 758 F HA 0.318 4.845 4.527 -0.000 0.000 0.348 758 F C 0.610 176.425 175.800 0.025 0.000 1.124 758 F CA -0.788 57.265 58.000 0.089 0.000 1.008 758 F CB 1.374 40.453 39.000 0.132 0.000 1.139 758 F HN 0.510 nan 8.300 nan 0.000 0.452 759 N N 3.473 122.262 118.700 0.147 0.000 2.497 759 N HA 0.077 4.817 4.740 -0.000 0.000 0.268 759 N C 0.925 176.427 175.510 -0.012 0.000 1.171 759 N CA 0.025 53.109 53.050 0.056 0.000 0.948 759 N CB 0.791 39.322 38.487 0.073 0.000 1.069 759 N HN 0.708 nan 8.380 nan 0.000 0.460 760 R N 2.000 122.414 120.500 -0.144 0.000 2.276 760 R HA -0.029 4.311 4.340 -0.000 0.000 0.203 760 R C 1.222 177.442 176.300 -0.133 0.000 1.017 760 R CA 0.980 56.934 56.100 -0.243 0.000 1.010 760 R CB 0.310 30.354 30.300 -0.427 0.000 0.900 760 R HN 0.701 nan 8.270 nan 0.000 0.469 761 Q N -0.825 118.933 119.800 -0.071 0.000 2.373 761 Q HA 0.034 4.374 4.340 -0.000 0.000 0.210 761 Q C 1.830 177.815 176.000 -0.026 0.000 0.913 761 Q CA 1.149 56.924 55.803 -0.046 0.000 0.911 761 Q CB 0.483 29.208 28.738 -0.022 0.000 1.040 761 Q HN 0.214 nan 8.270 nan 0.000 0.521 762 S N -0.298 115.407 115.700 0.007 0.000 2.470 762 S HA 0.214 4.684 4.470 -0.000 0.000 0.222 762 S C 1.594 176.100 174.600 -0.157 0.000 1.024 762 S CA 0.543 58.764 58.200 0.035 0.000 0.931 762 S CB 0.316 63.648 63.200 0.220 0.000 0.791 762 S HN 0.489 nan 8.310 nan 0.000 0.513 763 G N 0.562 109.296 108.800 -0.110 0.000 2.143 763 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.248 763 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.248 763 G C -0.129 174.685 174.900 -0.143 0.000 0.991 763 G CA 0.326 45.347 45.100 -0.131 0.000 0.689 763 G HN 0.539 nan 8.290 nan 0.000 0.522 764 F N -1.321 118.814 119.950 0.309 0.000 2.538 764 F HA 0.642 5.169 4.527 -0.000 0.000 0.325 764 F C 0.498 176.327 175.800 0.048 0.000 1.066 764 F CA -1.465 56.680 58.000 0.241 0.000 0.946 764 F CB 1.550 40.641 39.000 0.152 0.000 1.199 764 F HN 0.028 nan 8.300 nan 0.000 0.473 765 L N 1.804 123.086 121.223 0.099 0.000 2.530 765 L HA 0.183 4.523 4.340 -0.000 0.000 0.273 765 L C 0.602 177.369 176.870 -0.171 0.000 1.141 765 L CA 0.829 55.359 54.840 -0.518 0.000 0.905 765 L CB 0.410 42.167 42.059 -0.505 0.000 1.202 765 L HN 0.642 nan 8.230 nan 0.000 0.473 766 S N 2.473 118.068 115.700 -0.174 0.000 2.470 766 S HA 0.141 4.611 4.470 -0.000 0.000 0.222 766 S C 0.276 174.773 174.600 -0.172 0.000 1.024 766 S CA 0.325 58.474 58.200 -0.084 0.000 0.931 766 S CB 0.005 63.194 63.200 -0.019 0.000 0.791 766 S HN 0.757 nan 8.310 nan 0.000 0.513 767 Q N -0.129 119.516 119.800 -0.258 0.000 2.702 767 Q HA 0.602 4.942 4.340 -0.000 0.000 0.289 767 Q C -1.625 174.058 176.000 -0.528 0.000 0.923 767 Q CA -0.558 54.971 55.803 -0.456 0.000 0.787 767 Q CB 1.252 29.613 28.738 -0.627 0.000 1.476 767 Q HN 0.239 nan 8.270 nan 0.000 0.402 768 M N 0.870 120.016 119.600 -0.758 0.000 2.413 768 M HA 0.745 5.225 4.480 -0.000 0.000 0.287 768 M C -2.009 173.879 176.300 -0.686 0.000 1.186 768 M CA -0.274 54.671 55.300 -0.593 0.000 0.927 768 M CB 1.835 34.132 32.600 -0.504 0.000 1.715 768 M HN 0.541 nan 8.290 nan 0.000 0.478 769 W N 3.950 125.028 121.300 -0.371 0.000 2.761 769 W HA 0.674 5.334 4.660 -0.000 0.000 0.340 769 W C -1.398 174.916 176.519 -0.341 0.000 1.072 769 W CA -0.879 56.296 57.345 -0.282 0.000 1.215 769 W CB 2.006 31.331 29.460 -0.224 0.000 1.420 769 W HN 0.577 nan 8.180 nan 0.000 0.519 770 I N 2.767 123.342 120.570 0.007 0.000 2.448 770 I HA 0.401 4.571 4.170 -0.000 0.000 0.281 770 I C 0.728 176.838 176.117 -0.011 0.000 1.027 770 I CA 0.135 61.390 61.300 -0.074 0.000 1.111 770 I CB 1.082 39.010 38.000 -0.121 0.000 1.236 770 I HN 0.728 nan 8.210 nan 0.000 0.452 771 G N 5.840 114.628 108.800 -0.019 0.000 2.523 771 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.271 771 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.271 771 G C 0.248 175.169 174.900 0.034 0.000 1.146 771 G CA 0.456 45.549 45.100 -0.012 0.000 0.961 771 G HN 0.715 nan 8.290 nan 0.000 0.549 772 D N 0.777 121.215 120.400 0.062 0.000 2.431 772 D HA 0.233 4.873 4.640 -0.000 0.000 0.213 772 D C 0.622 177.062 176.300 0.232 0.000 1.130 772 D CA 0.132 54.203 54.000 0.119 0.000 0.834 772 D CB 0.315 41.136 40.800 0.036 0.000 0.985 772 D HN 0.504 nan 8.370 nan 0.000 0.504 773 K N 1.162 121.659 120.400 0.162 0.000 2.248 773 K HA 0.272 4.592 4.320 -0.000 0.000 0.281 773 K C -0.027 176.544 176.600 -0.048 0.000 1.054 773 K CA -0.444 55.878 56.287 0.057 0.000 0.903 773 K CB 1.621 34.116 32.500 -0.008 0.000 1.077 773 K HN -0.118 nan 8.250 nan 0.000 0.474 774 K N 2.200 122.489 120.400 -0.185 0.000 2.326 774 K HA 0.029 4.349 4.320 -0.000 0.000 0.275 774 K C 0.753 177.162 176.600 -0.318 0.000 1.018 774 K CA -0.192 55.791 56.287 -0.506 0.000 0.962 774 K CB 0.802 33.043 32.500 -0.432 0.000 0.953 774 K HN 0.443 nan 8.250 nan 0.000 0.475 775 Q N 1.366 120.949 119.800 -0.361 0.000 2.350 775 Q HA 0.193 4.533 4.340 -0.000 0.000 0.225 775 Q C 0.045 175.961 176.000 -0.140 0.000 0.878 775 Q CA 0.433 56.142 55.803 -0.158 0.000 0.935 775 Q CB 0.521 29.231 28.738 -0.046 0.000 1.099 775 Q HN 0.492 nan 8.270 nan 0.000 0.527 776 L N 0.545 121.625 121.223 -0.238 0.000 2.354 776 L HA 0.413 4.753 4.340 -0.000 0.000 0.269 776 L C 0.821 177.566 176.870 -0.209 0.000 1.005 776 L CA -0.469 54.258 54.840 -0.188 0.000 0.819 776 L CB 1.711 43.663 42.059 -0.178 0.000 1.311 776 L HN -0.115 nan 8.230 nan 0.000 0.423 777 L N -0.256 120.837 121.223 -0.215 0.000 2.513 777 L HA 0.275 4.615 4.340 -0.000 0.000 0.222 777 L C 0.324 177.082 176.870 -0.188 0.000 1.096 777 L CA 0.574 55.292 54.840 -0.204 0.000 0.857 777 L CB 0.263 42.188 42.059 -0.223 0.000 1.026 777 L HN 0.595 nan 8.230 nan 0.000 0.469 778 T N -0.000 114.427 114.554 -0.210 0.000 2.916 778 T HA 0.416 4.766 4.350 -0.000 0.000 0.305 778 T C -2.652 171.980 174.700 -0.114 0.000 1.119 778 T CA -1.055 60.958 62.100 -0.145 0.000 1.008 778 T CB 2.711 71.456 68.868 -0.206 0.000 1.129 778 T HN -0.263 nan 8.240 nan 0.000 0.480 779 P HA 0.291 nan 4.420 nan 0.000 0.272 779 P C -0.799 176.458 177.300 -0.071 0.000 1.230 779 P CA -0.751 62.319 63.100 -0.051 0.000 0.788 779 P CB 0.437 32.137 31.700 0.000 0.000 0.949 780 L N 3.333 124.550 121.223 -0.011 0.000 2.313 780 L HA 0.306 4.646 4.340 -0.000 0.000 0.282 780 L C 0.439 177.218 176.870 -0.152 0.000 1.092 780 L CA 0.497 55.347 54.840 0.016 0.000 0.831 780 L CB -0.522 41.659 42.059 0.203 0.000 1.159 780 L HN 0.415 nan 8.230 nan 0.000 0.442 781 R N 2.187 122.540 120.500 -0.245 0.000 2.764 781 R HA 0.520 4.860 4.340 -0.000 0.000 0.270 781 R C -1.193 174.957 176.300 -0.251 0.000 1.014 781 R CA -1.049 54.788 56.100 -0.439 0.000 0.904 781 R CB 0.528 30.269 30.300 -0.932 0.000 1.236 781 R HN 0.414 nan 8.270 nan 0.000 0.466 782 D N 1.054 121.340 120.400 -0.190 0.000 2.399 782 D HA 0.084 4.724 4.640 -0.000 0.000 0.241 782 D C -0.462 175.441 176.300 -0.662 0.000 1.133 782 D CA 0.463 54.215 54.000 -0.413 0.000 0.890 782 D CB 0.688 41.223 40.800 -0.442 0.000 1.201 782 D HN 0.313 nan 8.370 nan 0.000 0.432 783 Q N 1.241 120.460 119.800 -0.968 0.000 2.305 783 Q HA 0.369 4.709 4.340 -0.000 0.000 0.271 783 Q C -1.192 174.063 176.000 -1.241 0.000 1.046 783 Q CA -0.600 54.687 55.803 -0.861 0.000 0.798 783 Q CB 0.881 29.331 28.738 -0.480 0.000 1.286 783 Q HN 0.559 nan 8.270 nan 0.000 0.435 784 F N 0.635 120.223 119.950 -0.603 0.000 2.729 784 F HA 0.201 4.728 4.527 -0.000 0.000 0.315 784 F C 0.576 175.972 175.800 -0.673 0.000 1.102 784 F CA -0.216 57.334 58.000 -0.750 0.000 1.204 784 F CB 1.554 39.858 39.000 -1.160 0.000 1.052 784 F HN 0.455 nan 8.300 nan 0.000 0.551 785 T N -0.885 113.392 114.554 -0.461 0.000 2.907 785 T HA 0.760 5.110 4.350 -0.000 0.000 0.290 785 T C -0.599 173.862 174.700 -0.399 0.000 1.066 785 T CA -0.976 60.773 62.100 -0.585 0.000 1.012 785 T CB 2.726 71.197 68.868 -0.661 0.000 1.184 785 T HN 0.237 nan 8.240 nan 0.000 0.522 786 R N -0.189 120.114 120.500 -0.329 0.000 2.771 786 R HA 0.757 5.097 4.340 -0.000 0.000 0.274 786 R C -0.906 175.450 176.300 0.093 0.000 0.987 786 R CA -1.185 54.852 56.100 -0.106 0.000 0.908 786 R CB 1.589 31.836 30.300 -0.088 0.000 1.213 786 R HN 0.832 nan 8.270 nan 0.000 0.468 787 A N 3.836 126.695 122.820 0.065 0.000 2.476 787 A HA 0.292 4.612 4.320 -0.000 0.000 0.275 787 A C -1.982 175.665 177.584 0.105 0.000 1.133 787 A CA -1.371 50.707 52.037 0.067 0.000 0.797 787 A CB -0.485 18.499 19.000 -0.026 0.000 1.081 787 A HN 0.567 nan 8.150 nan 0.000 0.510 788 P HA 0.035 nan 4.420 nan 0.000 0.263 788 P C -0.270 177.128 177.300 0.164 0.000 1.175 788 P CA 0.558 63.807 63.100 0.249 0.000 0.761 788 P CB 0.314 32.194 31.700 0.299 0.000 0.794 789 L N 2.204 123.496 121.223 0.115 0.000 2.454 789 L HA 0.237 4.577 4.340 -0.000 0.000 0.256 789 L C 1.837 178.719 176.870 0.019 0.000 1.136 789 L CA -0.629 54.220 54.840 0.014 0.000 0.804 789 L CB 0.030 42.029 42.059 -0.099 0.000 1.181 789 L HN 0.275 nan 8.230 nan 0.000 0.469 790 D N 0.329 120.683 120.400 -0.076 0.000 2.123 790 D HA -0.162 4.478 4.640 -0.000 0.000 0.196 790 D C 1.595 177.824 176.300 -0.118 0.000 0.992 790 D CA 1.447 55.334 54.000 -0.188 0.000 0.833 790 D CB 0.033 40.639 40.800 -0.323 0.000 0.954 790 D HN 0.473 nan 8.370 nan 0.000 0.455 791 N N 1.006 119.653 118.700 -0.089 0.000 2.309 791 N HA -0.106 4.634 4.740 -0.000 0.000 0.182 791 N C 1.092 176.618 175.510 0.026 0.000 1.018 791 N CA 0.676 53.704 53.050 -0.038 0.000 0.876 791 N CB -0.150 38.301 38.487 -0.060 0.000 0.972 791 N HN 0.241 nan 8.380 nan 0.000 0.434 792 D N 0.138 120.564 120.400 0.044 0.000 2.277 792 D HA 0.062 4.702 4.640 -0.000 0.000 0.208 792 D C 1.875 178.229 176.300 0.089 0.000 0.962 792 D CA 0.349 54.411 54.000 0.102 0.000 0.865 792 D CB 0.276 41.193 40.800 0.196 0.000 0.939 792 D HN 0.340 nan 8.370 nan 0.000 0.510 793 I N -0.225 120.382 120.570 0.062 0.000 2.628 793 I HA 0.097 4.267 4.170 -0.000 0.000 0.255 793 I C 1.851 178.001 176.117 0.055 0.000 1.119 793 I CA 0.539 61.868 61.300 0.048 0.000 1.448 793 I CB -0.139 37.868 38.000 0.012 0.000 1.133 793 I HN 0.049 nan 8.210 nan 0.000 0.438 794 G N 1.630 110.477 108.800 0.079 0.000 2.596 794 G HA2 -0.360 3.600 3.960 -0.000 0.000 0.304 794 G HA3 -0.360 3.600 3.960 -0.000 0.000 0.304 794 G C 0.685 175.758 174.900 0.289 0.000 1.189 794 G CA 0.944 46.155 45.100 0.184 0.000 0.986 794 G HN 0.572 nan 8.290 nan 0.000 0.548 795 V N -2.175 117.850 119.914 0.185 0.000 3.271 795 V HA 0.688 4.808 4.120 -0.000 0.000 0.327 795 V C 0.980 177.097 176.094 0.037 0.000 1.389 795 V CA 1.039 63.398 62.300 0.098 0.000 1.156 795 V CB 0.339 32.120 31.823 -0.069 0.000 1.103 795 V HN 1.283 nan 8.190 nan 0.000 0.453 796 S N 1.348 117.074 115.700 0.043 0.000 2.498 796 S HA 0.332 4.802 4.470 -0.000 0.000 0.281 796 S C -0.086 174.529 174.600 0.024 0.000 1.265 796 S CA 0.063 58.273 58.200 0.016 0.000 1.071 796 S CB 0.358 63.564 63.200 0.011 0.000 0.894 796 S HN 0.799 nan 8.310 nan 0.000 0.491 797 E N 2.451 122.658 120.200 0.012 0.000 2.235 797 E HA 0.661 5.011 4.350 -0.000 0.000 0.265 797 E C 0.736 177.348 176.600 0.020 0.000 0.940 797 E CA -0.292 56.121 56.400 0.021 0.000 0.819 797 E CB 1.333 31.040 29.700 0.011 0.000 1.206 797 E HN 0.639 nan 8.360 nan 0.000 0.409 798 A N 0.984 123.823 122.820 0.030 0.000 1.972 798 A HA -0.185 4.135 4.320 -0.000 0.000 0.219 798 A C 2.055 179.652 177.584 0.020 0.000 1.169 798 A CA 2.329 54.383 52.037 0.029 0.000 0.635 798 A CB -0.922 18.100 19.000 0.038 0.000 0.810 798 A HN 0.700 nan 8.150 nan 0.000 0.446 799 T N -2.568 111.996 114.554 0.017 0.000 2.851 799 T HA -0.007 4.343 4.350 -0.000 0.000 0.262 799 T C 1.147 175.847 174.700 -0.001 0.000 1.043 799 T CA 0.919 63.024 62.100 0.009 0.000 1.140 799 T CB -0.103 68.771 68.868 0.009 0.000 0.872 799 T HN 0.311 nan 8.240 nan 0.000 0.446 800 R N 1.136 121.632 120.500 -0.006 0.000 2.402 800 R HA 0.442 4.782 4.340 -0.000 0.000 0.290 800 R C -0.754 175.536 176.300 -0.018 0.000 1.321 800 R CA -0.513 55.576 56.100 -0.018 0.000 1.283 800 R CB 0.173 30.454 30.300 -0.032 0.000 1.111 800 R HN 0.439 nan 8.270 nan 0.000 0.578 801 I N 2.234 122.796 120.570 -0.013 0.000 2.648 801 I HA -0.067 4.103 4.170 -0.000 0.000 0.284 801 I C 0.197 176.299 176.117 -0.026 0.000 1.153 801 I CA 0.551 61.843 61.300 -0.013 0.000 1.426 801 I CB 0.726 38.721 38.000 -0.008 0.000 1.381 801 I HN 0.431 nan 8.210 nan 0.000 0.571 802 D N 9.405 129.787 120.400 -0.029 0.000 2.472 802 D HA 0.262 4.902 4.640 -0.000 0.000 0.234 802 D C -1.677 174.584 176.300 -0.065 0.000 1.088 802 D CA -2.305 51.669 54.000 -0.044 0.000 0.882 802 D CB 1.351 42.130 40.800 -0.036 0.000 1.037 802 D HN 0.154 nan 8.370 nan 0.000 0.520 803 P HA -0.079 nan 4.420 nan 0.000 0.226 803 P C 0.489 177.695 177.300 -0.156 0.000 1.146 803 P CA 0.697 63.739 63.100 -0.097 0.000 0.773 803 P CB 0.376 32.028 31.700 -0.080 0.000 0.772 804 N N -0.456 118.146 118.700 -0.164 0.000 2.373 804 N HA 0.081 4.821 4.740 -0.000 0.000 0.181 804 N C 0.805 176.115 175.510 -0.333 0.000 1.082 804 N CA 0.074 52.975 53.050 -0.249 0.000 0.885 804 N CB 0.019 38.386 38.487 -0.201 0.000 0.977 804 N HN 0.083 nan 8.380 nan 0.000 0.462 805 A N 0.355 123.041 122.820 -0.223 0.000 2.498 805 A HA 0.028 4.348 4.320 -0.000 0.000 0.239 805 A C 0.776 178.164 177.584 -0.326 0.000 1.068 805 A CA -0.325 51.591 52.037 -0.202 0.000 0.766 805 A CB 0.003 18.956 19.000 -0.077 0.000 1.003 805 A HN 0.319 nan 8.150 nan 0.000 0.497 806 W N 1.870 122.921 121.300 -0.414 0.000 2.302 806 W HA -0.219 4.441 4.660 -0.000 0.000 0.320 806 W C 2.249 178.189 176.519 -0.965 0.000 1.241 806 W CA 1.943 58.776 57.345 -0.854 0.000 1.264 806 W CB -0.423 28.419 29.460 -1.031 0.000 1.154 806 W HN 0.558 nan 8.180 nan 0.000 0.483 807 V N 0.773 120.557 119.914 -0.216 0.000 2.392 807 V HA -0.285 3.835 4.120 -0.000 0.000 0.249 807 V C 2.211 178.380 176.094 0.126 0.000 1.059 807 V CA 2.176 64.568 62.300 0.152 0.000 1.051 807 V CB -0.410 31.547 31.823 0.223 0.000 0.658 807 V HN 0.085 nan 8.190 nan 0.000 0.455 808 E N 0.031 120.219 120.200 -0.020 0.000 2.106 808 E HA -0.160 4.190 4.350 -0.000 0.000 0.192 808 E C 2.362 178.933 176.600 -0.047 0.000 0.984 808 E CA 1.149 57.537 56.400 -0.019 0.000 0.806 808 E CB -0.348 29.317 29.700 -0.057 0.000 0.750 808 E HN 0.625 nan 8.360 nan 0.000 0.458 809 R N -0.389 120.004 120.500 -0.179 0.000 2.090 809 R HA -0.085 4.255 4.340 -0.000 0.000 0.228 809 R C 2.227 178.481 176.300 -0.077 0.000 1.110 809 R CA 0.843 56.822 56.100 -0.202 0.000 0.973 809 R CB -0.214 29.843 30.300 -0.406 0.000 0.869 809 R HN 0.264 nan 8.270 nan 0.000 0.440 810 W N 1.865 123.139 121.300 -0.044 0.000 2.381 810 W HA -0.004 4.656 4.660 -0.000 0.000 0.301 810 W C 2.007 178.493 176.519 -0.055 0.000 1.205 810 W CA 0.366 57.582 57.345 -0.216 0.000 1.285 810 W CB -0.603 28.840 29.460 -0.028 0.000 1.133 810 W HN 0.083 nan 8.180 nan 0.000 0.521 811 K N 0.153 120.801 120.400 0.412 0.000 2.009 811 K HA -0.140 4.180 4.320 -0.000 0.000 0.210 811 K C 2.190 178.881 176.600 0.151 0.000 1.049 811 K CA 1.904 58.391 56.287 0.334 0.000 0.929 811 K CB -0.586 32.045 32.500 0.217 0.000 0.714 811 K HN -0.020 nan 8.250 nan 0.000 0.440 812 A N 0.956 123.832 122.820 0.093 0.000 2.070 812 A HA -0.077 4.243 4.320 -0.000 0.000 0.220 812 A C 2.113 179.725 177.584 0.046 0.000 1.159 812 A CA 1.740 53.812 52.037 0.058 0.000 0.656 812 A CB -0.409 18.608 19.000 0.027 0.000 0.800 812 A HN 0.369 nan 8.150 nan 0.000 0.453 813 A N -1.934 120.893 122.820 0.011 0.000 2.218 813 A HA 0.417 4.737 4.320 -0.000 0.000 0.209 813 A C 1.753 179.318 177.584 -0.032 0.000 1.168 813 A CA 1.172 53.227 52.037 0.031 0.000 0.804 813 A CB -0.734 18.258 19.000 -0.012 0.000 0.834 813 A HN 1.840 nan 8.150 nan 0.000 0.482 814 G N -1.411 107.284 108.800 -0.176 0.000 2.132 814 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.234 814 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.234 814 G C 0.543 175.414 174.900 -0.047 0.000 0.989 814 G CA 0.617 45.394 45.100 -0.538 0.000 0.676 814 G HN 0.737 nan 8.290 nan 0.000 0.522 815 H N -1.508 117.534 119.070 -0.047 0.000 2.387 815 H HA -0.087 4.469 4.556 -0.000 0.000 0.299 815 H C 2.175 177.465 175.328 -0.064 0.000 1.099 815 H CA 1.574 57.594 56.048 -0.048 0.000 1.315 815 H CB 0.104 29.762 29.762 -0.174 0.000 1.380 815 H HN 0.621 nan 8.280 nan 0.000 0.513 816 Y N 0.793 121.203 120.300 0.184 0.000 2.516 816 Y HA -0.098 4.452 4.550 -0.000 0.000 0.291 816 Y C 1.938 177.907 175.900 0.115 0.000 1.131 816 Y CA 0.657 58.829 58.100 0.120 0.000 1.281 816 Y CB 0.387 38.906 38.460 0.099 0.000 1.013 816 Y HN 0.350 nan 8.280 nan 0.000 0.554 817 Q N -0.488 119.449 119.800 0.228 0.000 2.110 817 Q HA 0.466 4.806 4.340 -0.000 0.000 0.232 817 Q C -0.047 176.108 176.000 0.258 0.000 0.810 817 Q CA -0.343 55.590 55.803 0.217 0.000 1.083 817 Q CB 0.474 29.328 28.738 0.193 0.000 1.193 817 Q HN 0.130 nan 8.270 nan 0.000 0.471 818 A N 1.247 124.235 122.820 0.281 0.000 2.386 818 A HA 0.311 4.631 4.320 -0.000 0.000 0.248 818 A C -0.120 177.726 177.584 0.436 0.000 1.082 818 A CA -0.180 52.081 52.037 0.373 0.000 0.789 818 A CB 0.480 19.725 19.000 0.408 0.000 1.025 818 A HN 0.289 nan 8.150 nan 0.000 0.490 819 E N 0.777 121.179 120.200 0.336 0.000 2.134 819 E HA 0.470 4.820 4.350 -0.000 0.000 0.278 819 E C -0.137 176.439 176.600 -0.040 0.000 0.959 819 E CA -0.209 56.302 56.400 0.185 0.000 0.783 819 E CB 1.696 31.475 29.700 0.131 0.000 1.095 819 E HN 0.717 nan 8.360 nan 0.000 0.399 820 A N 2.461 125.143 122.820 -0.230 0.000 2.401 820 A HA 0.579 4.899 4.320 -0.000 0.000 0.259 820 A C -0.174 177.249 177.584 -0.268 0.000 1.103 820 A CA -0.128 51.498 52.037 -0.685 0.000 0.789 820 A CB 0.479 19.098 19.000 -0.635 0.000 1.035 820 A HN 0.546 nan 8.150 nan 0.000 0.491 821 A N 2.315 124.975 122.820 -0.266 0.000 2.343 821 A HA 0.579 4.899 4.320 -0.000 0.000 0.308 821 A C -0.643 176.869 177.584 -0.121 0.000 1.092 821 A CA -0.552 51.416 52.037 -0.116 0.000 0.751 821 A CB 0.733 19.687 19.000 -0.077 0.000 1.203 821 A HN 1.329 nan 8.150 nan 0.000 0.452 822 L N 3.190 124.330 121.223 -0.137 0.000 2.410 822 L HA 0.331 4.671 4.340 -0.000 0.000 0.273 822 L C 0.370 177.113 176.870 -0.212 0.000 1.144 822 L CA 0.320 54.980 54.840 -0.301 0.000 0.863 822 L CB 0.272 42.149 42.059 -0.303 0.000 1.140 822 L HN 0.782 nan 8.230 nan 0.000 0.463 823 L N 3.636 124.718 121.223 -0.235 0.000 2.470 823 L HA 0.289 4.629 4.340 -0.000 0.000 0.219 823 L C 0.291 177.093 176.870 -0.113 0.000 1.071 823 L CA 0.093 54.859 54.840 -0.122 0.000 0.850 823 L CB 0.072 42.091 42.059 -0.067 0.000 1.040 823 L HN 0.793 nan 8.230 nan 0.000 0.475 824 Q N -0.369 119.333 119.800 -0.163 0.000 2.468 824 Q HA 0.259 4.599 4.340 -0.000 0.000 0.263 824 Q C -1.890 174.052 176.000 -0.097 0.000 0.979 824 Q CA -0.646 55.098 55.803 -0.097 0.000 0.932 824 Q CB 2.403 31.113 28.738 -0.048 0.000 1.462 824 Q HN 0.024 nan 8.270 nan 0.000 0.403 825 C N 3.543 122.827 119.300 -0.027 0.000 2.919 825 C HA 0.727 5.187 4.460 -0.000 0.000 0.337 825 C C -0.670 174.408 174.990 0.147 0.000 1.039 825 C CA 0.604 59.651 59.018 0.048 0.000 1.373 825 C CB 0.358 28.126 27.740 0.046 0.000 1.843 825 C HN 0.807 nan 8.230 nan 0.000 0.493 826 T N 2.539 117.123 114.554 0.050 0.000 2.912 826 T HA 0.885 5.235 4.350 -0.000 0.000 0.288 826 T C -0.351 174.181 174.700 -0.279 0.000 1.030 826 T CA -0.142 61.932 62.100 -0.044 0.000 1.020 826 T CB 1.906 70.746 68.868 -0.047 0.000 1.056 826 T HN 1.702 nan 8.240 nan 0.000 0.480 827 A N 2.193 124.728 122.820 -0.475 0.000 2.393 827 A HA 0.758 5.078 4.320 -0.000 0.000 0.306 827 A C -1.187 176.173 177.584 -0.372 0.000 1.050 827 A CA -0.739 50.917 52.037 -0.634 0.000 0.724 827 A CB 1.415 19.644 19.000 -1.285 0.000 1.248 827 A HN 0.889 nan 8.150 nan 0.000 0.424 828 D N 0.692 120.926 120.400 -0.277 0.000 2.661 828 D HA 0.524 5.164 4.640 -0.000 0.000 0.228 828 D C -1.149 175.067 176.300 -0.140 0.000 1.183 828 D CA -0.009 53.888 54.000 -0.171 0.000 0.844 828 D CB 2.473 43.202 40.800 -0.119 0.000 1.555 828 D HN 0.436 nan 8.370 nan 0.000 0.453 829 T N 1.434 115.931 114.554 -0.096 0.000 2.772 829 T HA 0.467 4.817 4.350 -0.000 0.000 0.288 829 T C 0.172 174.844 174.700 -0.046 0.000 0.994 829 T CA -0.579 61.482 62.100 -0.065 0.000 0.951 829 T CB 0.993 69.837 68.868 -0.040 0.000 0.933 829 T HN 0.047 nan 8.240 nan 0.000 0.447 830 L N 1.674 122.871 121.223 -0.043 0.000 2.440 830 L HA 0.704 5.044 4.340 -0.000 0.000 0.262 830 L C 1.732 178.591 176.870 -0.019 0.000 1.072 830 L CA -0.411 54.410 54.840 -0.031 0.000 0.798 830 L CB 0.154 42.193 42.059 -0.033 0.000 1.307 830 L HN 0.708 nan 8.230 nan 0.000 0.475 831 A N -0.664 122.149 122.820 -0.013 0.000 2.016 831 A HA -0.052 4.268 4.320 -0.000 0.000 0.217 831 A C 0.997 178.579 177.584 -0.003 0.000 1.162 831 A CA 1.476 53.510 52.037 -0.005 0.000 0.662 831 A CB -0.635 18.363 19.000 -0.002 0.000 0.812 831 A HN 0.853 nan 8.150 nan 0.000 0.450 832 D N -1.741 118.654 120.400 -0.008 0.000 2.441 832 D HA 0.541 5.181 4.640 -0.000 0.000 0.210 832 D C 0.403 176.694 176.300 -0.016 0.000 1.102 832 D CA 0.755 54.750 54.000 -0.007 0.000 0.840 832 D CB 0.590 41.387 40.800 -0.005 0.000 0.990 832 D HN 0.465 nan 8.370 nan 0.000 0.505 833 A N -0.358 122.447 122.820 -0.026 0.000 2.467 833 A HA 0.598 4.918 4.320 -0.000 0.000 0.301 833 A C -1.760 175.788 177.584 -0.060 0.000 1.126 833 A CA -0.766 51.244 52.037 -0.044 0.000 0.632 833 A CB 0.676 19.646 19.000 -0.050 0.000 1.331 833 A HN -0.048 nan 8.150 nan 0.000 0.482 834 V N 0.329 120.188 119.914 -0.092 0.000 2.547 834 V HA 0.680 4.800 4.120 -0.000 0.000 0.299 834 V C -0.838 175.172 176.094 -0.140 0.000 1.040 834 V CA -0.430 61.798 62.300 -0.120 0.000 0.913 834 V CB 1.339 33.078 31.823 -0.139 0.000 0.992 834 V HN 0.844 nan 8.190 nan 0.000 0.449 835 L N 5.931 127.062 121.223 -0.152 0.000 2.376 835 L HA 0.661 5.001 4.340 -0.000 0.000 0.275 835 L C -0.912 175.835 176.870 -0.204 0.000 0.987 835 L CA -0.008 54.748 54.840 -0.139 0.000 0.828 835 L CB 1.398 43.400 42.059 -0.096 0.000 1.249 835 L HN 0.418 nan 8.230 nan 0.000 0.409 836 I N 3.618 124.071 120.570 -0.195 0.000 2.474 836 I HA 0.513 4.683 4.170 -0.000 0.000 0.294 836 I C -0.164 175.934 176.117 -0.031 0.000 1.005 836 I CA -0.373 60.771 61.300 -0.261 0.000 1.113 836 I CB 1.841 39.484 38.000 -0.594 0.000 1.289 836 I HN 0.526 nan 8.210 nan 0.000 0.436 837 T N 4.184 118.714 114.554 -0.039 0.000 2.881 837 T HA 0.634 4.984 4.350 -0.000 0.000 0.290 837 T C -0.079 174.660 174.700 0.066 0.000 1.000 837 T CA -0.488 61.637 62.100 0.041 0.000 0.978 837 T CB 1.874 70.738 68.868 -0.006 0.000 0.997 837 T HN 0.825 nan 8.240 nan 0.000 0.443 838 T N -0.226 114.407 114.554 0.133 0.000 2.906 838 T HA 0.900 5.250 4.350 -0.000 0.000 0.295 838 T C -1.158 173.591 174.700 0.082 0.000 1.075 838 T CA -1.059 61.095 62.100 0.089 0.000 1.005 838 T CB 2.052 71.045 68.868 0.209 0.000 1.136 838 T HN 0.770 nan 8.240 nan 0.000 0.498 839 A N 1.479 124.265 122.820 -0.056 0.000 2.459 839 A HA 0.757 5.077 4.320 -0.000 0.000 0.296 839 A C -1.455 176.041 177.584 -0.148 0.000 1.039 839 A CA -0.779 51.272 52.037 0.025 0.000 0.698 839 A CB 0.840 19.857 19.000 0.029 0.000 1.261 839 A HN 1.000 nan 8.150 nan 0.000 0.405 840 H N 0.108 119.234 119.070 0.095 0.000 2.821 840 H HA 0.816 5.372 4.556 -0.000 0.000 0.373 840 H C -0.068 175.294 175.328 0.056 0.000 1.165 840 H CA 0.203 56.228 56.048 -0.038 0.000 1.154 840 H CB 2.153 31.784 29.762 -0.219 0.000 1.765 840 H HN 1.004 nan 8.280 nan 0.000 0.549 841 A N 1.569 124.418 122.820 0.048 0.000 2.371 841 A HA 0.447 4.767 4.320 -0.000 0.000 0.311 841 A C -1.404 176.216 177.584 0.060 0.000 1.068 841 A CA -0.719 51.420 52.037 0.169 0.000 0.744 841 A CB 1.221 20.283 19.000 0.103 0.000 1.239 841 A HN 0.589 nan 8.150 nan 0.000 0.435 842 W N 2.047 123.456 121.300 0.181 0.000 2.349 842 W HA 0.430 5.090 4.660 -0.000 0.000 0.309 842 W C -0.349 176.188 176.519 0.029 0.000 1.083 842 W CA -0.170 57.272 57.345 0.163 0.000 1.224 842 W CB 1.653 31.273 29.460 0.266 0.000 1.256 842 W HN 0.776 nan 8.180 nan 0.000 0.461 843 Q N 1.659 121.595 119.800 0.226 0.000 2.458 843 Q HA 0.463 4.803 4.340 -0.000 0.000 0.282 843 Q C -0.945 175.191 176.000 0.228 0.000 1.106 843 Q CA -0.944 54.951 55.803 0.154 0.000 0.814 843 Q CB 3.549 32.338 28.738 0.086 0.000 1.425 843 Q HN 0.410 nan 8.270 nan 0.000 0.437 844 H N 1.069 120.170 119.070 0.053 0.000 3.224 844 H HA 0.071 4.627 4.556 -0.000 0.000 0.331 844 H C -1.009 174.348 175.328 0.049 0.000 1.002 844 H CA -0.063 56.026 56.048 0.068 0.000 1.473 844 H CB 1.028 30.841 29.762 0.085 0.000 1.830 844 H HN 0.887 nan 8.280 nan 0.000 0.485 845 Q N 3.269 122.821 119.800 -0.413 0.000 2.453 845 Q HA -0.259 4.081 4.340 -0.000 0.000 0.294 845 Q C 0.971 176.902 176.000 -0.116 0.000 1.295 845 Q CA 1.253 56.870 55.803 -0.311 0.000 0.853 845 Q CB -1.313 27.163 28.738 -0.436 0.000 1.193 845 Q HN 1.194 nan 8.270 nan 0.000 0.461 846 G N -0.394 108.373 108.800 -0.055 0.000 2.268 846 G HA2 -0.359 3.601 3.960 -0.000 0.000 0.240 846 G HA3 -0.359 3.601 3.960 -0.000 0.000 0.240 846 G C 0.073 174.975 174.900 0.003 0.000 1.010 846 G CA 0.365 45.453 45.100 -0.019 0.000 0.618 846 G HN 0.351 nan 8.290 nan 0.000 0.516 847 K N 1.460 121.869 120.400 0.014 0.000 2.156 847 K HA 0.601 4.921 4.320 -0.000 0.000 0.271 847 K C -0.285 176.326 176.600 0.019 0.000 0.995 847 K CA -0.057 56.243 56.287 0.022 0.000 0.890 847 K CB 0.793 33.312 32.500 0.032 0.000 1.073 847 K HN 0.016 nan 8.250 nan 0.000 0.454 848 T N 5.834 120.390 114.554 0.003 0.000 2.727 848 T HA 0.197 4.547 4.350 -0.000 0.000 0.298 848 T C 1.174 175.814 174.700 -0.100 0.000 0.942 848 T CA -0.412 61.685 62.100 -0.004 0.000 0.997 848 T CB 0.363 69.247 68.868 0.027 0.000 0.917 848 T HN 0.536 nan 8.240 nan 0.000 0.487 849 L N 2.345 123.404 121.223 -0.273 0.000 2.102 849 L HA 0.314 4.654 4.340 -0.000 0.000 0.202 849 L C -0.012 176.351 176.870 -0.845 0.000 1.076 849 L CA 0.967 55.369 54.840 -0.730 0.000 0.761 849 L CB -0.030 41.190 42.059 -1.399 0.000 0.921 849 L HN 0.514 nan 8.230 nan 0.000 0.444 850 F N -1.388 118.524 119.950 -0.064 0.000 2.626 850 F HA 0.595 5.122 4.527 -0.000 0.000 0.311 850 F C -0.508 175.399 175.800 0.179 0.000 1.088 850 F CA -0.885 57.044 58.000 -0.119 0.000 0.949 850 F CB 1.928 40.531 39.000 -0.661 0.000 1.322 850 F HN -0.343 nan 8.300 nan 0.000 0.461 851 I N 1.364 122.178 120.570 0.407 0.000 2.533 851 I HA 0.397 4.567 4.170 -0.000 0.000 0.290 851 I C -0.963 175.424 176.117 0.451 0.000 1.056 851 I CA -0.578 60.981 61.300 0.433 0.000 1.057 851 I CB 2.269 40.433 38.000 0.273 0.000 1.240 851 I HN 0.562 nan 8.210 nan 0.000 0.423 852 S N 6.716 122.776 115.700 0.599 0.000 2.552 852 S HA 0.579 5.049 4.470 -0.000 0.000 0.314 852 S C -0.779 174.073 174.600 0.420 0.000 1.099 852 S CA -0.677 57.843 58.200 0.533 0.000 1.070 852 S CB 0.779 64.416 63.200 0.729 0.000 0.998 852 S HN 0.572 nan 8.310 nan 0.000 0.474 853 R N 3.562 124.228 120.500 0.276 0.000 2.437 853 R HA 0.554 4.894 4.340 -0.000 0.000 0.310 853 R C -0.644 175.730 176.300 0.124 0.000 0.955 853 R CA -0.769 55.449 56.100 0.198 0.000 0.851 853 R CB 1.854 32.242 30.300 0.148 0.000 1.161 853 R HN 0.561 nan 8.270 nan 0.000 0.446 854 K N 0.675 121.139 120.400 0.106 0.000 2.378 854 K HA 0.537 4.857 4.320 -0.000 0.000 0.244 854 K C -0.662 175.907 176.600 -0.051 0.000 1.039 854 K CA -0.956 55.307 56.287 -0.040 0.000 0.863 854 K CB 2.393 34.807 32.500 -0.142 0.000 1.326 854 K HN 0.615 nan 8.250 nan 0.000 0.460 855 T N -1.394 113.051 114.554 -0.182 0.000 2.952 855 T HA 0.532 4.882 4.350 -0.000 0.000 0.305 855 T C -1.455 173.131 174.700 -0.189 0.000 1.064 855 T CA -0.772 61.276 62.100 -0.087 0.000 1.008 855 T CB 0.418 69.269 68.868 -0.029 0.000 1.078 855 T HN 0.412 nan 8.240 nan 0.000 0.459 856 Y N 1.123 121.406 120.300 -0.028 0.000 2.350 856 Y HA 0.717 5.267 4.550 -0.000 0.000 0.338 856 Y C 0.395 176.241 175.900 -0.090 0.000 0.961 856 Y CA -1.114 56.978 58.100 -0.014 0.000 1.100 856 Y CB 2.092 40.571 38.460 0.032 0.000 1.179 856 Y HN 0.817 nan 8.280 nan 0.000 0.454 857 R N 4.077 124.616 120.500 0.066 0.000 2.451 857 R HA 0.677 5.017 4.340 -0.000 0.000 0.307 857 R C -1.994 174.260 176.300 -0.076 0.000 0.965 857 R CA -0.406 55.681 56.100 -0.023 0.000 0.865 857 R CB 0.690 30.983 30.300 -0.012 0.000 1.174 857 R HN 0.810 nan 8.270 nan 0.000 0.455 858 I N 5.240 125.711 120.570 -0.165 0.000 2.330 858 I HA 0.242 4.412 4.170 -0.000 0.000 0.289 858 I C -0.256 175.757 176.117 -0.173 0.000 1.001 858 I CA -0.787 60.349 61.300 -0.274 0.000 1.193 858 I CB 1.374 39.039 38.000 -0.559 0.000 1.345 858 I HN 0.705 nan 8.210 nan 0.000 0.461 859 D N 4.439 124.771 120.400 -0.113 0.000 2.549 859 D HA 0.230 4.870 4.640 -0.000 0.000 0.270 859 D C 1.261 177.542 176.300 -0.031 0.000 1.181 859 D CA -0.791 53.175 54.000 -0.056 0.000 1.070 859 D CB 0.873 41.657 40.800 -0.028 0.000 1.154 859 D HN 0.474 nan 8.370 nan 0.000 0.602 860 G N -1.375 107.417 108.800 -0.013 0.000 2.625 860 G HA2 -0.139 3.821 3.960 -0.000 0.000 0.214 860 G HA3 -0.139 3.821 3.960 -0.000 0.000 0.214 860 G C 1.090 175.991 174.900 0.002 0.000 1.132 860 G CA 0.942 46.042 45.100 0.000 0.000 0.782 860 G HN 0.533 nan 8.290 nan 0.000 0.538 861 S N -1.214 114.488 115.700 0.003 0.000 2.575 861 S HA 0.384 4.854 4.470 -0.000 0.000 0.215 861 S C 1.747 176.385 174.600 0.063 0.000 0.966 861 S CA 0.881 59.090 58.200 0.014 0.000 0.911 861 S CB 0.138 63.341 63.200 0.005 0.000 0.780 861 S HN 1.380 nan 8.310 nan 0.000 0.514 862 G N 0.651 109.508 108.800 0.095 0.000 2.143 862 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.249 862 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.249 862 G C -0.251 174.767 174.900 0.197 0.000 0.981 862 G CA 0.047 45.277 45.100 0.218 0.000 0.665 862 G HN 0.602 nan 8.290 nan 0.000 0.528 863 Q N -0.495 119.356 119.800 0.085 0.000 2.241 863 Q HA 0.667 5.007 4.340 -0.000 0.000 0.254 863 Q C 0.148 176.158 176.000 0.017 0.000 0.917 863 Q CA -0.401 55.454 55.803 0.087 0.000 0.919 863 Q CB 1.597 30.382 28.738 0.077 0.000 1.237 863 Q HN 0.417 nan 8.270 nan 0.000 0.434 864 M N 2.131 121.773 119.600 0.069 0.000 2.114 864 M HA 0.556 5.036 4.480 -0.000 0.000 0.332 864 M C -1.500 174.888 176.300 0.146 0.000 1.014 864 M CA -0.513 54.808 55.300 0.034 0.000 0.956 864 M CB 1.088 33.704 32.600 0.027 0.000 1.551 864 M HN 0.710 nan 8.290 nan 0.000 0.427 865 A N 6.831 129.711 122.820 0.099 0.000 2.288 865 A HA 0.764 5.084 4.320 -0.000 0.000 0.320 865 A C -0.932 176.694 177.584 0.071 0.000 1.217 865 A CA -0.670 51.429 52.037 0.103 0.000 0.840 865 A CB 0.508 19.549 19.000 0.068 0.000 1.179 865 A HN 0.917 nan 8.150 nan 0.000 0.504 866 I N 1.538 122.136 120.570 0.048 0.000 2.474 866 I HA 0.434 4.604 4.170 -0.000 0.000 0.294 866 I C -0.132 175.890 176.117 -0.160 0.000 1.005 866 I CA -0.303 60.937 61.300 -0.099 0.000 1.113 866 I CB 2.458 40.424 38.000 -0.056 0.000 1.289 866 I HN 0.507 nan 8.210 nan 0.000 0.436 867 T N 5.222 119.629 114.554 -0.244 0.000 2.841 867 T HA 0.543 4.893 4.350 -0.000 0.000 0.285 867 T C -0.637 173.860 174.700 -0.338 0.000 0.991 867 T CA -0.400 61.549 62.100 -0.251 0.000 0.966 867 T CB 1.733 70.546 68.868 -0.090 0.000 0.962 867 T HN 0.216 nan 8.240 nan 0.000 0.438 868 V N 4.012 123.598 119.914 -0.547 0.000 2.540 868 V HA 0.545 4.665 4.120 -0.000 0.000 0.302 868 V C -0.692 175.229 176.094 -0.288 0.000 1.035 868 V CA -0.907 61.103 62.300 -0.482 0.000 0.873 868 V CB 2.043 33.325 31.823 -0.901 0.000 0.992 868 V HN 0.831 nan 8.190 nan 0.000 0.428 869 D N 3.302 123.704 120.400 0.003 0.000 2.549 869 D HA 0.520 5.160 4.640 -0.000 0.000 0.251 869 D C -1.052 175.375 176.300 0.213 0.000 1.153 869 D CA -0.105 53.996 54.000 0.168 0.000 0.861 869 D CB 2.781 43.706 40.800 0.207 0.000 1.207 869 D HN 0.269 nan 8.370 nan 0.000 0.543 870 V N 2.193 122.271 119.914 0.273 0.000 2.628 870 V HA 0.352 4.472 4.120 -0.000 0.000 0.306 870 V C 0.047 176.291 176.094 0.251 0.000 1.045 870 V CA -0.698 61.776 62.300 0.289 0.000 0.905 870 V CB 2.511 34.537 31.823 0.339 0.000 0.997 870 V HN 0.374 nan 8.190 nan 0.000 0.436 871 E N 2.174 122.510 120.200 0.226 0.000 2.222 871 E HA 0.635 4.985 4.350 -0.000 0.000 0.267 871 E C -1.611 175.114 176.600 0.209 0.000 0.884 871 E CA -0.621 55.890 56.400 0.185 0.000 0.764 871 E CB 2.658 32.448 29.700 0.151 0.000 1.169 871 E HN 0.412 nan 8.360 nan 0.000 0.413 872 V N 2.076 122.114 119.914 0.207 0.000 2.409 872 V HA 0.380 4.500 4.120 -0.000 0.000 0.291 872 V C 0.086 176.276 176.094 0.161 0.000 1.020 872 V CA -0.932 61.513 62.300 0.242 0.000 0.848 872 V CB 1.446 33.444 31.823 0.292 0.000 0.990 872 V HN 0.838 nan 8.190 nan 0.000 0.430 873 A N 3.524 126.399 122.820 0.092 0.000 2.548 873 A HA 0.249 4.569 4.320 -0.000 0.000 0.247 873 A C 1.647 179.300 177.584 0.114 0.000 1.067 873 A CA 0.653 52.729 52.037 0.066 0.000 0.757 873 A CB 0.220 19.225 19.000 0.007 0.000 0.996 873 A HN 1.376 nan 8.150 nan 0.000 0.504 874 S N 1.395 117.159 115.700 0.107 0.000 2.442 874 S HA -0.152 4.318 4.470 -0.000 0.000 0.236 874 S C 0.846 175.524 174.600 0.130 0.000 1.007 874 S CA 1.349 59.630 58.200 0.135 0.000 0.965 874 S CB -0.264 62.995 63.200 0.097 0.000 0.773 874 S HN 0.815 nan 8.310 nan 0.000 0.504 875 D N 0.166 120.619 120.400 0.089 0.000 2.368 875 D HA 0.151 4.791 4.640 -0.000 0.000 0.218 875 D C 0.365 176.704 176.300 0.065 0.000 1.112 875 D CA -0.074 53.965 54.000 0.064 0.000 0.834 875 D CB -0.261 40.563 40.800 0.040 0.000 0.953 875 D HN 0.282 nan 8.370 nan 0.000 0.505 876 T N 1.273 115.893 114.554 0.110 0.000 2.902 876 T HA 0.422 4.772 4.350 -0.000 0.000 0.283 876 T C -2.651 172.163 174.700 0.190 0.000 1.009 876 T CA -1.991 60.203 62.100 0.157 0.000 1.051 876 T CB 1.320 70.291 68.868 0.171 0.000 0.999 876 T HN -0.170 nan 8.240 nan 0.000 0.474 877 P HA 0.117 nan 4.420 nan 0.000 0.265 877 P C -0.477 177.111 177.300 0.481 0.000 1.193 877 P CA -0.131 63.060 63.100 0.152 0.000 0.765 877 P CB 0.142 31.922 31.700 0.134 0.000 0.823 878 H N 3.209 122.639 119.070 0.600 0.000 3.001 878 H HA 0.079 4.635 4.556 -0.000 0.000 0.334 878 H C -1.837 173.847 175.328 0.594 0.000 1.034 878 H CA -1.522 54.828 56.048 0.505 0.000 1.420 878 H CB -0.876 29.125 29.762 0.399 0.000 1.405 878 H HN 0.333 nan 8.280 nan 0.000 0.593 879 P HA 0.094 nan 4.420 nan 0.000 0.274 879 P C 0.334 177.552 177.300 -0.137 0.000 1.231 879 P CA -0.330 62.837 63.100 0.112 0.000 0.790 879 P CB 0.833 32.467 31.700 -0.111 0.000 0.951 880 A N 3.273 125.768 122.820 -0.541 0.000 1.969 880 A HA -0.088 4.232 4.320 -0.000 0.000 0.218 880 A C 1.059 178.275 177.584 -0.613 0.000 1.169 880 A CA 1.414 53.095 52.037 -0.593 0.000 0.635 880 A CB -0.541 17.928 19.000 -0.886 0.000 0.810 880 A HN 0.757 nan 8.150 nan 0.000 0.445 881 R N -2.873 117.300 120.500 -0.544 0.000 2.728 881 R HA 0.716 5.056 4.340 -0.000 0.000 0.274 881 R C -1.832 174.231 176.300 -0.394 0.000 1.030 881 R CA -0.804 54.991 56.100 -0.508 0.000 0.876 881 R CB 0.667 30.607 30.300 -0.600 0.000 1.259 881 R HN 0.005 nan 8.270 nan 0.000 0.468 882 I N 1.275 121.642 120.570 -0.339 0.000 2.517 882 I HA 0.632 4.802 4.170 -0.000 0.000 0.280 882 I C -0.442 175.435 176.117 -0.399 0.000 1.061 882 I CA -0.374 60.741 61.300 -0.309 0.000 1.091 882 I CB 1.837 39.723 38.000 -0.190 0.000 1.205 882 I HN 0.975 nan 8.210 nan 0.000 0.459 883 G N 5.820 114.327 108.800 -0.487 0.000 2.650 883 G HA2 0.763 4.723 3.960 -0.000 0.000 0.310 883 G HA3 0.763 4.723 3.960 -0.000 0.000 0.310 883 G C -1.722 172.979 174.900 -0.332 0.000 1.270 883 G CA -0.575 44.279 45.100 -0.410 0.000 0.810 883 G HN 0.273 nan 8.290 nan 0.000 0.493 884 L N 0.757 121.839 121.223 -0.236 0.000 2.333 884 L HA 0.661 5.001 4.340 -0.000 0.000 0.263 884 L C -0.751 176.001 176.870 -0.196 0.000 1.014 884 L CA -1.141 53.587 54.840 -0.188 0.000 0.820 884 L CB 2.535 44.552 42.059 -0.070 0.000 1.352 884 L HN 0.809 nan 8.230 nan 0.000 0.421 885 N N 0.535 119.147 118.700 -0.147 0.000 2.610 885 N HA 0.736 5.476 4.740 -0.000 0.000 0.264 885 N C -1.236 174.269 175.510 -0.009 0.000 1.348 885 N CA -0.600 52.405 53.050 -0.076 0.000 0.819 885 N CB 2.253 40.724 38.487 -0.026 0.000 1.521 885 N HN 0.864 nan 8.380 nan 0.000 0.497 886 C N -1.616 117.705 119.300 0.035 0.000 3.292 886 C HA 0.573 5.033 4.460 -0.000 0.000 0.338 886 C C -1.232 173.606 174.990 -0.254 0.000 1.323 886 C CA -0.879 58.112 59.018 -0.044 0.000 1.232 886 C CB 0.935 28.655 27.740 -0.034 0.000 1.517 886 C HN 0.867 nan 8.230 nan 0.000 0.470 887 Q N 1.451 120.891 119.800 -0.600 0.000 2.368 887 Q HA 0.655 4.995 4.340 -0.000 0.000 0.256 887 Q C -0.984 174.725 176.000 -0.486 0.000 0.980 887 Q CA -0.420 54.780 55.803 -1.006 0.000 0.887 887 Q CB 0.816 28.609 28.738 -1.575 0.000 1.221 887 Q HN 0.762 nan 8.270 nan 0.000 0.458 888 L N 2.571 123.604 121.223 -0.316 0.000 2.395 888 L HA 0.290 4.630 4.340 -0.000 0.000 0.269 888 L C 1.226 178.019 176.870 -0.128 0.000 1.133 888 L CA -0.250 54.521 54.840 -0.116 0.000 0.812 888 L CB 0.854 42.953 42.059 0.067 0.000 1.125 888 L HN 0.810 nan 8.230 nan 0.000 0.452 889 A N 1.973 124.743 122.820 -0.083 0.000 1.930 889 A HA -0.128 4.192 4.320 -0.000 0.000 0.217 889 A C 1.173 178.730 177.584 -0.044 0.000 1.175 889 A CA 0.762 52.746 52.037 -0.087 0.000 0.627 889 A CB -0.287 18.658 19.000 -0.091 0.000 0.815 889 A HN 0.795 nan 8.150 nan 0.000 0.443 890 Q N -0.495 119.308 119.800 0.006 0.000 2.417 890 Q HA 0.434 4.774 4.340 -0.000 0.000 0.241 890 Q C -1.127 174.896 176.000 0.040 0.000 1.008 890 Q CA 0.368 56.174 55.803 0.006 0.000 0.901 890 Q CB 0.843 29.606 28.738 0.042 0.000 1.259 890 Q HN 0.166 nan 8.270 nan 0.000 0.489 891 V N 2.557 122.458 119.914 -0.021 0.000 2.567 891 V HA 0.771 4.891 4.120 -0.000 0.000 0.298 891 V C -0.845 175.198 176.094 -0.084 0.000 1.047 891 V CA -0.171 62.144 62.300 0.024 0.000 0.880 891 V CB 1.160 32.996 31.823 0.021 0.000 1.009 891 V HN 0.928 nan 8.190 nan 0.000 0.429 892 A N 3.203 125.932 122.820 -0.151 0.000 2.347 892 A HA 0.911 5.231 4.320 -0.000 0.000 0.301 892 A C 0.535 178.140 177.584 0.035 0.000 1.163 892 A CA -0.311 51.600 52.037 -0.211 0.000 0.860 892 A CB 1.566 20.219 19.000 -0.579 0.000 1.367 892 A HN 0.680 nan 8.150 nan 0.000 0.461 893 E N -0.154 120.060 120.200 0.023 0.000 2.102 893 E HA 0.094 4.444 4.350 -0.000 0.000 0.190 893 E C 0.393 177.075 176.600 0.135 0.000 0.971 893 E CA 1.071 57.516 56.400 0.075 0.000 0.821 893 E CB 0.170 29.892 29.700 0.036 0.000 0.777 893 E HN 0.512 nan 8.360 nan 0.000 0.460 894 R N -0.574 120.021 120.500 0.158 0.000 2.854 894 R HA 0.591 4.931 4.340 -0.000 0.000 0.271 894 R C -1.099 175.395 176.300 0.324 0.000 0.996 894 R CA -0.928 55.294 56.100 0.204 0.000 0.961 894 R CB 2.331 32.716 30.300 0.141 0.000 1.182 894 R HN -0.179 nan 8.270 nan 0.000 0.479 895 V N 1.891 122.003 119.914 0.330 0.000 2.531 895 V HA 0.359 4.479 4.120 -0.000 0.000 0.301 895 V C -0.432 175.938 176.094 0.460 0.000 1.034 895 V CA -0.909 61.624 62.300 0.389 0.000 0.865 895 V CB 1.817 33.821 31.823 0.303 0.000 0.995 895 V HN 0.696 nan 8.190 nan 0.000 0.424 896 N N 4.135 123.092 118.700 0.428 0.000 2.295 896 N HA 0.555 5.295 4.740 -0.000 0.000 0.293 896 N C -1.501 174.281 175.510 0.454 0.000 1.040 896 N CA -0.422 52.846 53.050 0.364 0.000 0.840 896 N CB 2.947 41.541 38.487 0.178 0.000 1.468 896 N HN 0.826 nan 8.380 nan 0.000 0.478 897 W N 3.074 124.431 121.300 0.094 0.000 3.137 897 W HA 0.589 5.249 4.660 -0.000 0.000 0.324 897 W C -2.183 174.333 176.519 -0.006 0.000 1.253 897 W CA -1.080 56.305 57.345 0.067 0.000 1.183 897 W CB 0.703 30.241 29.460 0.131 0.000 1.424 897 W HN 0.261 nan 8.180 nan 0.000 0.566 898 L N 3.973 125.201 121.223 0.008 0.000 2.318 898 L HA 0.934 5.274 4.340 -0.000 0.000 0.277 898 L C -0.037 176.763 176.870 -0.117 0.000 1.008 898 L CA 0.367 55.038 54.840 -0.282 0.000 0.846 898 L CB 0.838 42.784 42.059 -0.189 0.000 1.220 898 L HN 1.047 nan 8.230 nan 0.000 0.423 899 G N 3.721 112.355 108.800 -0.277 0.000 2.356 899 G HA2 0.210 4.170 3.960 -0.000 0.000 0.281 899 G HA3 0.210 4.170 3.960 -0.000 0.000 0.281 899 G C -1.647 173.390 174.900 0.229 0.000 1.246 899 G CA -1.035 44.127 45.100 0.103 0.000 0.889 899 G HN 0.442 nan 8.290 nan 0.000 0.486 900 L N 1.037 122.478 121.223 0.364 0.000 2.380 900 L HA 0.622 4.962 4.340 -0.000 0.000 0.273 900 L C 1.054 178.027 176.870 0.171 0.000 1.138 900 L CA 0.674 55.665 54.840 0.252 0.000 0.832 900 L CB 0.728 42.863 42.059 0.127 0.000 1.124 900 L HN 1.151 nan 8.230 nan 0.000 0.454 901 G N 2.713 111.399 108.800 -0.189 0.000 2.427 901 G HA2 0.286 4.246 3.960 -0.000 0.000 0.306 901 G HA3 0.286 4.246 3.960 -0.000 0.000 0.306 901 G C -2.763 171.393 174.900 -1.239 0.000 1.280 901 G CA -0.280 44.356 45.100 -0.774 0.000 0.837 901 G HN 0.310 nan 8.290 nan 0.000 0.482 902 P HA 0.122 nan 4.420 nan 0.000 0.239 902 P C 0.513 177.596 177.300 -0.362 0.000 1.188 902 P CA 0.497 62.961 63.100 -1.060 0.000 0.794 902 P CB 0.571 31.793 31.700 -0.797 0.000 0.937 903 Q N 0.571 120.169 119.800 -0.338 0.000 2.318 903 Q HA 0.128 4.468 4.340 -0.000 0.000 0.222 903 Q C 0.378 176.258 176.000 -0.200 0.000 1.003 903 Q CA -0.530 55.151 55.803 -0.204 0.000 0.936 903 Q CB 0.663 29.310 28.738 -0.152 0.000 1.204 903 Q HN 0.121 nan 8.270 nan 0.000 0.524 904 E N 1.456 121.550 120.200 -0.176 0.000 2.558 904 E HA -0.123 4.227 4.350 -0.000 0.000 0.255 904 E C -1.176 175.344 176.600 -0.134 0.000 0.968 904 E CA 0.222 56.511 56.400 -0.185 0.000 0.939 904 E CB 0.186 29.845 29.700 -0.070 0.000 0.921 904 E HN 0.533 nan 8.360 nan 0.000 0.477 905 N N 3.048 121.592 118.700 -0.260 0.000 2.264 905 N HA 0.336 5.076 4.740 -0.000 0.000 0.288 905 N C -1.805 173.478 175.510 -0.379 0.000 1.094 905 N CA -0.680 52.267 53.050 -0.172 0.000 0.817 905 N CB 0.804 39.208 38.487 -0.138 0.000 1.604 905 N HN 0.240 nan 8.380 nan 0.000 0.473 906 Y N 0.046 120.245 120.300 -0.167 0.000 2.630 906 Y HA 0.497 5.047 4.550 -0.000 0.000 0.337 906 Y C -1.599 174.216 175.900 -0.142 0.000 1.051 906 Y CA -2.103 55.882 58.100 -0.192 0.000 1.121 906 Y CB 1.794 40.135 38.460 -0.199 0.000 1.299 906 Y HN 0.447 nan 8.280 nan 0.000 0.498 907 P HA -0.156 nan 4.420 nan 0.000 0.216 907 P C 0.269 177.460 177.300 -0.181 0.000 1.150 907 P CA 2.007 65.117 63.100 0.016 0.000 0.843 907 P CB 0.209 32.004 31.700 0.158 0.000 0.787 908 D N -2.270 117.846 120.400 -0.474 0.000 2.368 908 D HA 0.035 4.675 4.640 -0.000 0.000 0.218 908 D C 0.612 176.779 176.300 -0.222 0.000 1.112 908 D CA -0.027 53.534 54.000 -0.733 0.000 0.834 908 D CB -0.178 39.880 40.800 -1.237 0.000 0.953 908 D HN 0.112 nan 8.370 nan 0.000 0.505 909 R N 1.059 121.513 120.500 -0.076 0.000 2.684 909 R HA 0.201 4.541 4.340 -0.000 0.000 0.252 909 R C -0.643 175.684 176.300 0.046 0.000 1.628 909 R CA -0.160 55.953 56.100 0.021 0.000 1.622 909 R CB 0.090 30.405 30.300 0.025 0.000 1.418 909 R HN 0.101 nan 8.270 nan 0.000 0.697 910 L N -1.738 119.522 121.223 0.062 0.000 3.520 910 L HA 0.326 4.666 4.340 -0.000 0.000 0.323 910 L C 1.278 178.207 176.870 0.098 0.000 1.246 910 L CA 0.083 54.959 54.840 0.059 0.000 1.085 910 L CB 0.191 42.267 42.059 0.029 0.000 1.477 910 L HN 0.094 nan 8.230 nan 0.000 0.624 911 T N -2.595 112.044 114.554 0.141 0.000 2.915 911 T HA 0.023 4.373 4.350 -0.000 0.000 0.269 911 T C 1.737 176.528 174.700 0.151 0.000 1.071 911 T CA 1.295 63.504 62.100 0.182 0.000 1.132 911 T CB -0.276 68.737 68.868 0.241 0.000 0.878 911 T HN 0.399 nan 8.240 nan 0.000 0.479 912 A N 1.392 124.305 122.820 0.154 0.000 2.119 912 A HA 0.662 4.982 4.320 -0.000 0.000 0.216 912 A C 1.686 179.376 177.584 0.176 0.000 1.152 912 A CA 0.543 52.637 52.037 0.096 0.000 0.708 912 A CB -0.901 18.251 19.000 0.253 0.000 0.805 912 A HN 0.824 nan 8.150 nan 0.000 0.460 916 D N 2.939 122.736 120.400 -1.004 0.000 3.145 916 D HA 0.345 4.985 4.640 -0.000 0.000 0.345 916 D C -1.490 173.905 176.300 -1.509 0.000 1.391 916 D CA -0.669 52.583 54.000 -1.246 0.000 0.930 916 D CB 2.250 42.266 40.800 -1.307 0.000 1.451 916 D HN 0.634 nan 8.370 nan 0.000 0.555 917 R N 0.546 120.205 120.500 -1.402 0.000 2.229 917 R HA 0.474 4.814 4.340 -0.000 0.000 0.332 917 R C -1.262 174.230 176.300 -1.345 0.000 0.989 917 R CA -0.451 54.965 56.100 -1.139 0.000 0.842 917 R CB 0.485 30.390 30.300 -0.657 0.000 1.119 917 R HN 0.241 nan 8.270 nan 0.000 0.456 918 W N 2.582 123.333 121.300 -0.915 0.000 2.639 918 W HA 0.417 5.077 4.660 -0.000 0.000 0.347 918 W C -0.408 175.713 176.519 -0.664 0.000 1.067 918 W CA -0.663 56.098 57.345 -0.973 0.000 1.218 918 W CB 1.502 29.916 29.460 -1.743 0.000 1.393 918 W HN 0.314 nan 8.180 nan 0.000 0.557 919 D N 2.675 123.017 120.400 -0.096 0.000 2.602 919 D HA 0.468 5.108 4.640 -0.000 0.000 0.245 919 D C -1.286 175.109 176.300 0.159 0.000 1.325 919 D CA -0.108 53.935 54.000 0.072 0.000 0.952 919 D CB 1.093 41.905 40.800 0.019 0.000 1.317 919 D HN 0.366 nan 8.370 nan 0.000 0.577 920 L N 2.562 123.953 121.223 0.280 0.000 2.341 920 L HA 0.567 4.907 4.340 -0.000 0.000 0.254 920 L C -2.517 174.478 176.870 0.209 0.000 1.040 920 L CA -2.201 52.779 54.840 0.233 0.000 0.837 920 L CB 2.579 44.810 42.059 0.286 0.000 1.425 920 L HN 0.136 nan 8.230 nan 0.000 0.414 921 P HA 0.146 nan 4.420 nan 0.000 0.282 921 P C 0.456 177.839 177.300 0.139 0.000 1.249 921 P CA -0.465 62.714 63.100 0.132 0.000 0.806 921 P CB 1.098 32.855 31.700 0.094 0.000 0.984 922 L N 3.471 124.780 121.223 0.144 0.000 2.089 922 L HA -0.280 4.060 4.340 -0.000 0.000 0.213 922 L C 2.094 179.021 176.870 0.096 0.000 1.079 922 L CA 2.675 57.592 54.840 0.127 0.000 0.758 922 L CB -1.415 40.734 42.059 0.151 0.000 0.891 922 L HN 0.409 nan 8.230 nan 0.000 0.433 923 S N -1.709 114.048 115.700 0.095 0.000 2.400 923 S HA -0.188 4.282 4.470 -0.000 0.000 0.232 923 S C 1.598 176.269 174.600 0.118 0.000 1.025 923 S CA 1.222 59.486 58.200 0.107 0.000 0.993 923 S CB -0.784 62.468 63.200 0.087 0.000 0.808 923 S HN 0.523 nan 8.310 nan 0.000 0.478 924 D N 1.242 121.694 120.400 0.086 0.000 2.348 924 D HA 0.094 4.734 4.640 -0.000 0.000 0.216 924 D C 1.199 177.512 176.300 0.023 0.000 0.970 924 D CA 0.605 54.637 54.000 0.053 0.000 0.889 924 D CB -0.162 40.674 40.800 0.060 0.000 0.912 924 D HN 0.411 nan 8.370 nan 0.000 0.524 925 M N -0.292 119.331 119.600 0.039 0.000 2.505 925 M HA 0.086 4.566 4.480 -0.000 0.000 0.230 925 M C -0.163 176.157 176.300 0.033 0.000 1.153 925 M CA -0.054 55.227 55.300 -0.031 0.000 0.997 925 M CB -0.803 31.765 32.600 -0.052 0.000 1.606 925 M HN -0.045 nan 8.290 nan 0.000 0.481 926 Y N -0.039 120.224 120.300 -0.062 0.000 2.376 926 Y HA 0.485 5.035 4.550 -0.000 0.000 0.340 926 Y C -0.861 174.975 175.900 -0.108 0.000 0.965 926 Y CA -0.689 57.383 58.100 -0.046 0.000 1.078 926 Y CB 1.462 39.956 38.460 0.057 0.000 1.193 926 Y HN -0.097 nan 8.280 nan 0.000 0.452 927 T N 8.878 122.924 114.554 -0.848 0.000 2.788 927 T HA 0.279 4.629 4.350 -0.000 0.000 0.296 927 T C -2.706 171.198 174.700 -1.327 0.000 1.009 927 T CA -1.515 60.009 62.100 -0.961 0.000 0.949 927 T CB 1.056 69.460 68.868 -0.772 0.000 0.946 927 T HN 0.449 nan 8.240 nan 0.000 0.453 928 P HA 0.111 nan 4.420 nan 0.000 0.225 928 P C -0.662 176.455 177.300 -0.306 0.000 1.768 928 P CA -0.382 62.288 63.100 -0.717 0.000 0.943 928 P CB -0.770 30.659 31.700 -0.453 0.000 1.936 929 Y N -0.321 119.882 120.300 -0.162 0.000 2.526 929 Y HA -0.077 4.473 4.550 -0.000 0.000 0.330 929 Y C 2.262 178.193 175.900 0.050 0.000 1.156 929 Y CA -0.510 57.569 58.100 -0.035 0.000 1.419 929 Y CB 0.605 38.986 38.460 -0.131 0.000 1.250 929 Y HN -0.108 nan 8.280 nan 0.000 0.540 930 V N 3.753 123.869 119.914 0.337 0.000 2.317 930 V HA -0.329 3.791 4.120 -0.000 0.000 0.251 930 V C 0.562 176.815 176.094 0.265 0.000 1.065 930 V CA 1.598 64.079 62.300 0.301 0.000 1.049 930 V CB -0.574 31.468 31.823 0.366 0.000 0.651 930 V HN 0.603 nan 8.190 nan 0.000 0.450 931 F N 3.237 123.220 119.950 0.055 0.000 2.361 931 F HA 0.526 5.053 4.527 -0.000 0.000 0.364 931 F C -2.418 173.372 175.800 -0.015 0.000 1.120 931 F CA -3.284 54.694 58.000 -0.037 0.000 1.102 931 F CB 0.924 39.789 39.000 -0.224 0.000 1.183 931 F HN -0.013 nan 8.300 nan 0.000 0.476 932 P HA 0.312 nan 4.420 nan 0.000 0.275 932 P C -1.116 175.895 177.300 -0.481 0.000 1.228 932 P CA -0.089 62.768 63.100 -0.406 0.000 0.786 932 P CB 1.484 32.988 31.700 -0.328 0.000 0.927 933 S N -0.402 115.195 115.700 -0.172 0.000 2.703 933 S HA 0.419 4.889 4.470 -0.000 0.000 0.273 933 S C -0.828 173.761 174.600 -0.019 0.000 1.178 933 S CA -0.935 57.207 58.200 -0.097 0.000 0.838 933 S CB 0.300 63.471 63.200 -0.049 0.000 1.178 933 S HN 0.343 nan 8.310 nan 0.000 0.494 934 E N 1.285 121.485 120.200 -0.001 0.000 2.529 934 E HA 0.352 4.702 4.350 -0.000 0.000 0.259 934 E C -0.152 176.491 176.600 0.072 0.000 0.966 934 E CA 0.937 57.361 56.400 0.040 0.000 0.937 934 E CB -0.402 29.345 29.700 0.078 0.000 0.923 934 E HN 0.780 nan 8.360 nan 0.000 0.468 935 N N 1.601 120.376 118.700 0.124 0.000 3.116 935 N HA 0.534 5.274 4.740 -0.000 0.000 0.244 935 N C 0.297 175.859 175.510 0.086 0.000 1.485 935 N CA -0.618 52.541 53.050 0.181 0.000 0.884 935 N CB 0.795 39.371 38.487 0.148 0.000 1.415 935 N HN 0.645 nan 8.380 nan 0.000 0.524 936 G N -1.436 107.379 108.800 0.025 0.000 2.179 936 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.260 936 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.260 936 G C -0.168 174.492 174.900 -0.399 0.000 0.977 936 G CA 0.397 45.399 45.100 -0.163 0.000 0.641 936 G HN 0.683 nan 8.290 nan 0.000 0.533 937 L N 1.297 122.213 121.223 -0.512 0.000 2.499 937 L HA 0.488 4.828 4.340 -0.000 0.000 0.281 937 L C 0.888 177.197 176.870 -0.935 0.000 1.234 937 L CA 0.497 54.797 54.840 -0.900 0.000 0.839 937 L CB 0.367 41.576 42.059 -1.417 0.000 1.104 937 L HN 0.355 nan 8.230 nan 0.000 0.500 938 R N 3.601 123.465 120.500 -1.061 0.000 2.575 938 R HA 0.478 4.818 4.340 -0.000 0.000 0.293 938 R C -1.192 174.743 176.300 -0.608 0.000 0.983 938 R CA -0.726 54.866 56.100 -0.847 0.000 0.887 938 R CB 0.875 30.641 30.300 -0.891 0.000 1.184 938 R HN 0.549 nan 8.270 nan 0.000 0.445 939 C N -0.006 119.085 119.300 -0.349 0.000 2.354 939 C HA 0.643 5.103 4.460 -0.000 0.000 0.381 939 C C 1.354 176.316 174.990 -0.046 0.000 1.240 939 C CA 0.359 59.258 59.018 -0.199 0.000 2.089 939 C CB 1.144 28.790 27.740 -0.157 0.000 2.234 939 C HN 1.074 nan 8.230 nan 0.000 0.544 940 G N 2.172 110.955 108.800 -0.027 0.000 2.395 940 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.300 940 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.300 940 G C -0.085 174.869 174.900 0.090 0.000 0.998 940 G CA 0.545 45.675 45.100 0.051 0.000 1.046 940 G HN 0.798 nan 8.290 nan 0.000 0.513 941 T N -0.336 114.142 114.554 -0.127 0.000 2.799 941 T HA 0.493 4.843 4.350 -0.000 0.000 0.286 941 T C 1.541 175.963 174.700 -0.464 0.000 0.973 941 T CA -0.526 61.463 62.100 -0.184 0.000 1.035 941 T CB 1.351 70.104 68.868 -0.191 0.000 0.932 941 T HN 0.385 nan 8.240 nan 0.000 0.469 942 R N 1.335 121.776 120.500 -0.098 0.000 2.279 942 R HA 0.261 4.601 4.340 -0.000 0.000 0.195 942 R C 0.527 176.876 176.300 0.082 0.000 0.905 942 R CA 0.171 56.261 56.100 -0.016 0.000 1.044 942 R CB 0.842 31.247 30.300 0.175 0.000 1.056 942 R HN 0.610 nan 8.270 nan 0.000 0.535 943 E N 0.952 121.221 120.200 0.115 0.000 2.321 943 E HA 0.272 4.622 4.350 -0.000 0.000 0.281 943 E C -2.043 174.709 176.600 0.253 0.000 0.910 943 E CA -0.616 55.919 56.400 0.225 0.000 0.770 943 E CB 1.824 31.623 29.700 0.165 0.000 1.225 943 E HN -0.098 nan 8.360 nan 0.000 0.417 944 L N 4.128 125.550 121.223 0.332 0.000 2.410 944 L HA 0.601 4.941 4.340 -0.000 0.000 0.270 944 L C -1.866 175.227 176.870 0.373 0.000 0.983 944 L CA -0.376 54.613 54.840 0.250 0.000 0.822 944 L CB 1.796 43.841 42.059 -0.022 0.000 1.285 944 L HN 0.465 nan 8.230 nan 0.000 0.409 945 N N 4.485 123.371 118.700 0.310 0.000 2.346 945 N HA 0.406 5.146 4.740 -0.000 0.000 0.289 945 N C -2.034 173.721 175.510 0.407 0.000 1.027 945 N CA -0.282 52.956 53.050 0.314 0.000 0.864 945 N CB 2.292 40.898 38.487 0.198 0.000 1.370 945 N HN 0.615 nan 8.380 nan 0.000 0.481 946 Y N 1.292 121.752 120.300 0.267 0.000 2.323 946 Y HA 0.419 4.969 4.550 -0.000 0.000 0.322 946 Y C 0.471 176.485 175.900 0.190 0.000 1.133 946 Y CA 0.202 58.441 58.100 0.232 0.000 1.093 946 Y CB 0.565 39.203 38.460 0.297 0.000 1.203 946 Y HN 0.868 nan 8.280 nan 0.000 0.427 947 G N 6.398 115.080 108.800 -0.196 0.000 2.528 947 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.262 947 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.262 947 G C -1.907 172.904 174.900 -0.147 0.000 1.200 947 G CA -0.062 44.891 45.100 -0.245 0.000 0.951 947 G HN 0.552 nan 8.290 nan 0.000 0.566 948 P HA 0.130 nan 4.420 nan 0.000 0.236 948 P C 0.515 177.587 177.300 -0.380 0.000 1.177 948 P CA 0.966 63.875 63.100 -0.319 0.000 0.773 948 P CB -0.051 31.379 31.700 -0.449 0.000 0.878 949 H N -0.220 118.797 119.070 -0.089 0.000 2.505 949 H HA 0.469 5.025 4.556 -0.000 0.000 0.351 949 H C 0.420 175.515 175.328 -0.390 0.000 1.151 949 H CA -0.169 55.705 56.048 -0.291 0.000 1.339 949 H CB 0.824 30.247 29.762 -0.565 0.000 1.483 949 H HN -0.048 nan 8.280 nan 0.000 0.558 950 Q N 2.722 122.274 119.800 -0.413 0.000 2.284 950 Q HA 0.221 4.561 4.340 -0.000 0.000 0.269 950 Q C -1.901 173.883 176.000 -0.360 0.000 1.026 950 Q CA -0.770 54.893 55.803 -0.234 0.000 0.831 950 Q CB 1.779 30.511 28.738 -0.010 0.000 1.322 950 Q HN 0.633 nan 8.270 nan 0.000 0.419 951 W N 3.546 124.850 121.300 0.007 0.000 2.819 951 W HA 0.596 5.256 4.660 -0.000 0.000 0.337 951 W C -0.453 176.160 176.519 0.158 0.000 1.077 951 W CA -0.792 56.534 57.345 -0.031 0.000 1.226 951 W CB 2.236 31.511 29.460 -0.307 0.000 1.419 951 W HN 0.614 nan 8.180 nan 0.000 0.502 952 R N 0.742 121.497 120.500 0.424 0.000 2.744 952 R HA 0.862 5.202 4.340 -0.000 0.000 0.279 952 R C 0.131 176.707 176.300 0.460 0.000 0.977 952 R CA -0.586 55.770 56.100 0.427 0.000 0.906 952 R CB 2.363 32.829 30.300 0.276 0.000 1.197 952 R HN 0.705 nan 8.270 nan 0.000 0.463 953 G N 0.499 109.584 108.800 0.475 0.000 2.513 953 G HA2 0.105 4.065 3.960 -0.000 0.000 0.182 953 G HA3 0.105 4.065 3.960 -0.000 0.000 0.182 953 G C -1.773 173.278 174.900 0.251 0.000 1.190 953 G CA -0.531 44.815 45.100 0.410 0.000 0.987 953 G HN 0.513 nan 8.290 nan 0.000 0.479 954 D N 0.116 120.671 120.400 0.259 0.000 2.330 954 D HA 0.649 5.289 4.640 -0.000 0.000 0.249 954 D C -0.550 175.762 176.300 0.021 0.000 1.306 954 D CA -0.424 53.593 54.000 0.029 0.000 0.956 954 D CB 0.364 41.203 40.800 0.065 0.000 1.261 954 D HN 0.579 nan 8.370 nan 0.000 0.544 955 F N -0.052 119.894 119.950 -0.007 0.000 3.016 955 F HA 0.657 5.184 4.527 -0.000 0.000 0.324 955 F C -1.385 174.374 175.800 -0.067 0.000 1.196 955 F CA -1.097 56.834 58.000 -0.115 0.000 0.929 955 F CB 0.670 39.587 39.000 -0.138 0.000 1.440 955 F HN -0.096 nan 8.300 nan 0.000 0.505 956 Q N 1.434 121.322 119.800 0.147 0.000 2.387 956 Q HA 0.677 5.017 4.340 -0.000 0.000 0.273 956 Q C -1.315 174.781 176.000 0.160 0.000 1.089 956 Q CA -0.515 55.294 55.803 0.009 0.000 0.824 956 Q CB 2.805 31.422 28.738 -0.202 0.000 1.367 956 Q HN 0.880 nan 8.270 nan 0.000 0.443 957 F N -1.180 118.658 119.950 -0.186 0.000 2.711 957 F HA 0.777 5.304 4.527 -0.000 0.000 0.313 957 F C -1.607 173.985 175.800 -0.348 0.000 1.141 957 F CA -1.084 56.766 58.000 -0.251 0.000 0.941 957 F CB 1.618 40.483 39.000 -0.226 0.000 1.349 957 F HN 0.577 nan 8.300 nan 0.000 0.464 958 N N 1.085 119.658 118.700 -0.212 0.000 2.329 958 N HA 0.692 5.432 4.740 -0.000 0.000 0.282 958 N C -2.190 173.295 175.510 -0.043 0.000 1.198 958 N CA -0.684 52.211 53.050 -0.258 0.000 0.790 958 N CB 2.505 40.832 38.487 -0.267 0.000 1.579 958 N HN 1.131 nan 8.380 nan 0.000 0.475 959 I N 0.626 121.157 120.570 -0.065 0.000 2.610 959 I HA 0.678 4.848 4.170 -0.000 0.000 0.289 959 I C -1.254 174.818 176.117 -0.076 0.000 1.163 959 I CA 0.073 61.313 61.300 -0.100 0.000 1.044 959 I CB 1.333 39.215 38.000 -0.196 0.000 1.251 959 I HN 1.068 nan 8.210 nan 0.000 0.424 960 S N 6.369 122.037 115.700 -0.052 0.000 2.714 960 S HA 0.518 4.988 4.470 -0.000 0.000 0.280 960 S C -0.349 174.184 174.600 -0.111 0.000 1.200 960 S CA -0.952 57.211 58.200 -0.061 0.000 0.900 960 S CB 1.532 64.760 63.200 0.048 0.000 1.235 960 S HN 0.621 nan 8.310 nan 0.000 0.512 961 R N -0.114 120.144 120.500 -0.403 0.000 2.427 961 R HA 0.287 4.627 4.340 -0.000 0.000 0.262 961 R C -0.978 174.971 176.300 -0.585 0.000 0.943 961 R CA 0.195 56.008 56.100 -0.479 0.000 1.081 961 R CB -0.540 29.348 30.300 -0.687 0.000 1.166 961 R HN 0.634 nan 8.270 nan 0.000 0.534 962 Y N 0.347 120.614 120.300 -0.054 0.000 2.409 962 Y HA 0.250 4.800 4.550 -0.000 0.000 0.343 962 Y C 0.783 176.429 175.900 -0.423 0.000 0.973 962 Y CA -1.171 56.804 58.100 -0.209 0.000 1.064 962 Y CB 1.478 39.771 38.460 -0.279 0.000 1.207 962 Y HN -0.098 nan 8.280 nan 0.000 0.452 963 S N 1.557 116.907 115.700 -0.584 0.000 2.603 963 S HA 0.076 4.546 4.470 -0.000 0.000 0.268 963 S C 0.866 175.131 174.600 -0.558 0.000 1.317 963 S CA -0.690 56.821 58.200 -1.150 0.000 1.012 963 S CB 1.169 63.642 63.200 -1.211 0.000 0.926 963 S HN 0.751 nan 8.310 nan 0.000 0.539 964 Q N 0.608 120.087 119.800 -0.534 0.000 2.135 964 Q HA -0.193 4.147 4.340 -0.000 0.000 0.204 964 Q C 2.176 178.043 176.000 -0.222 0.000 0.981 964 Q CA 1.774 57.407 55.803 -0.283 0.000 0.856 964 Q CB -0.500 28.109 28.738 -0.215 0.000 0.902 964 Q HN 0.938 nan 8.270 nan 0.000 0.425 965 Q N 0.655 120.297 119.800 -0.264 0.000 2.079 965 Q HA -0.201 4.139 4.340 -0.000 0.000 0.200 965 Q C 2.044 177.947 176.000 -0.162 0.000 0.974 965 Q CA 1.327 57.027 55.803 -0.170 0.000 0.840 965 Q CB 0.026 28.684 28.738 -0.132 0.000 0.898 965 Q HN 0.429 nan 8.270 nan 0.000 0.430 966 Q N 0.126 119.806 119.800 -0.200 0.000 2.050 966 Q HA -0.154 4.186 4.340 -0.000 0.000 0.202 966 Q C 2.373 178.258 176.000 -0.192 0.000 0.980 966 Q CA 1.306 57.001 55.803 -0.179 0.000 0.840 966 Q CB -0.093 28.521 28.738 -0.207 0.000 0.898 966 Q HN 0.465 nan 8.270 nan 0.000 0.424 967 L N 0.177 121.280 121.223 -0.200 0.000 2.043 967 L HA -0.236 4.104 4.340 -0.000 0.000 0.212 967 L C 2.693 179.433 176.870 -0.217 0.000 1.075 967 L CA 1.398 56.111 54.840 -0.213 0.000 0.752 967 L CB -0.386 41.578 42.059 -0.159 0.000 0.891 967 L HN 0.417 nan 8.230 nan 0.000 0.432 968 M N -0.646 118.854 119.600 -0.167 0.000 2.394 968 M HA -0.147 4.333 4.480 -0.000 0.000 0.264 968 M C 1.582 177.802 176.300 -0.133 0.000 1.073 968 M CA 1.544 56.757 55.300 -0.144 0.000 1.111 968 M CB 0.133 32.665 32.600 -0.113 0.000 1.401 968 M HN 0.192 nan 8.290 nan 0.000 0.448 969 E N -0.727 119.397 120.200 -0.128 0.000 2.452 969 E HA 0.067 4.417 4.350 -0.000 0.000 0.197 969 E C -0.251 176.298 176.600 -0.085 0.000 1.022 969 E CA 0.153 56.501 56.400 -0.088 0.000 0.890 969 E CB 0.563 30.225 29.700 -0.065 0.000 0.918 969 E HN 0.317 nan 8.360 nan 0.000 0.496 970 T N 0.830 115.302 114.554 -0.137 0.000 2.744 970 T HA 0.071 4.421 4.350 -0.000 0.000 0.291 970 T C 1.129 175.729 174.700 -0.167 0.000 0.957 970 T CA -0.312 61.706 62.100 -0.136 0.000 1.002 970 T CB 1.530 70.287 68.868 -0.186 0.000 0.919 970 T HN 0.043 nan 8.240 nan 0.000 0.468 971 S N 2.183 117.871 115.700 -0.020 0.000 2.496 971 S HA 0.038 4.508 4.470 -0.000 0.000 0.224 971 S C 0.321 174.980 174.600 0.098 0.000 0.996 971 S CA 0.351 58.610 58.200 0.099 0.000 0.927 971 S CB -0.213 63.188 63.200 0.335 0.000 0.774 971 S HN 0.746 nan 8.310 nan 0.000 0.524 972 H N 0.241 119.295 119.070 -0.026 0.000 2.851 972 H HA 0.515 5.071 4.556 -0.000 0.000 0.372 972 H C 0.944 176.236 175.328 -0.060 0.000 1.158 972 H CA -0.762 55.334 56.048 0.080 0.000 1.159 972 H CB 1.520 31.349 29.762 0.111 0.000 1.757 972 H HN 0.104 nan 8.280 nan 0.000 0.546 973 R N 1.350 121.958 120.500 0.181 0.000 2.105 973 R HA -0.182 4.158 4.340 -0.000 0.000 0.239 973 R C 1.391 177.691 176.300 -0.001 0.000 1.135 973 R CA 1.937 58.070 56.100 0.056 0.000 0.967 973 R CB -0.570 29.789 30.300 0.099 0.000 0.861 973 R HN 0.772 nan 8.270 nan 0.000 0.442 974 H N 1.586 120.658 119.070 0.003 0.000 2.489 974 H HA -0.023 4.533 4.556 -0.000 0.000 0.293 974 H C 1.541 176.788 175.328 -0.135 0.000 1.066 974 H CA 1.044 57.047 56.048 -0.075 0.000 1.305 974 H CB -0.246 29.458 29.762 -0.097 0.000 1.386 974 H HN 0.322 nan 8.280 nan 0.000 0.551 975 L N 0.900 121.690 121.223 -0.721 0.000 2.591 975 L HA 0.196 4.536 4.340 -0.000 0.000 0.228 975 L C 0.583 177.319 176.870 -0.223 0.000 1.133 975 L CA -0.103 54.447 54.840 -0.483 0.000 0.880 975 L CB -0.034 41.740 42.059 -0.474 0.000 1.033 975 L HN 0.048 nan 8.230 nan 0.000 0.450 976 L N 0.742 121.835 121.223 -0.217 0.000 2.395 976 L HA 0.217 4.557 4.340 -0.000 0.000 0.269 976 L C 0.269 177.131 176.870 -0.013 0.000 1.133 976 L CA -0.298 54.414 54.840 -0.214 0.000 0.812 976 L CB 0.608 42.355 42.059 -0.519 0.000 1.125 976 L HN 0.170 nan 8.230 nan 0.000 0.452 977 H N 1.684 120.799 119.070 0.075 0.000 2.529 977 H HA 0.610 5.166 4.556 -0.000 0.000 0.348 977 H C -0.762 174.664 175.328 0.164 0.000 1.079 977 H CA -1.193 54.917 56.048 0.103 0.000 1.198 977 H CB 1.400 31.176 29.762 0.023 0.000 1.521 977 H HN 0.698 nan 8.280 nan 0.000 0.514 978 A N 4.049 126.951 122.820 0.137 0.000 2.540 978 A HA 0.084 4.404 4.320 -0.000 0.000 0.239 978 A C 0.356 177.960 177.584 0.033 0.000 1.061 978 A CA -0.187 51.767 52.037 -0.137 0.000 0.758 978 A CB 0.012 18.916 19.000 -0.160 0.000 0.991 978 A HN 0.871 nan 8.150 nan 0.000 0.502 979 E N 1.109 121.285 120.200 -0.040 0.000 2.359 979 E HA 0.118 4.468 4.350 -0.000 0.000 0.255 979 E C 0.639 177.259 176.600 0.033 0.000 1.191 979 E CA -0.697 55.768 56.400 0.108 0.000 0.952 979 E CB 0.672 30.523 29.700 0.252 0.000 1.152 979 E HN 0.822 nan 8.360 nan 0.000 0.496 980 E N 0.231 120.450 120.200 0.032 0.000 2.065 980 E HA -0.210 4.140 4.350 -0.000 0.000 0.201 980 E C 0.923 177.474 176.600 -0.081 0.000 1.016 980 E CA 1.729 58.110 56.400 -0.031 0.000 0.818 980 E CB 0.014 29.695 29.700 -0.031 0.000 0.749 980 E HN 0.564 nan 8.360 nan 0.000 0.453 981 G N -1.359 107.347 108.800 -0.156 0.000 3.392 981 G HA2 0.250 4.210 3.960 -0.000 0.000 0.185 981 G HA3 0.250 4.210 3.960 -0.000 0.000 0.185 981 G C -0.683 174.135 174.900 -0.136 0.000 1.206 981 G CA -0.158 44.861 45.100 -0.135 0.000 0.776 981 G HN 0.098 nan 8.290 nan 0.000 0.697 982 T N 0.453 114.924 114.554 -0.139 0.000 2.807 982 T HA 0.411 4.761 4.350 -0.000 0.000 0.279 982 T C -1.555 173.008 174.700 -0.227 0.000 0.993 982 T CA -0.073 61.967 62.100 -0.100 0.000 0.970 982 T CB 1.609 70.507 68.868 0.049 0.000 0.950 982 T HN 0.309 nan 8.240 nan 0.000 0.441 983 W N 3.069 124.283 121.300 -0.144 0.000 2.361 983 W HA 0.631 5.291 4.660 -0.000 0.000 0.309 983 W C -0.433 175.969 176.519 -0.196 0.000 1.122 983 W CA -0.704 56.553 57.345 -0.146 0.000 1.208 983 W CB 0.916 30.296 29.460 -0.132 0.000 1.246 983 W HN 0.366 nan 8.180 nan 0.000 0.490 984 L N 5.423 126.680 121.223 0.058 0.000 2.362 984 L HA 0.525 4.865 4.340 -0.000 0.000 0.275 984 L C -1.001 175.793 176.870 -0.127 0.000 0.998 984 L CA -0.449 54.304 54.840 -0.146 0.000 0.820 984 L CB 1.092 42.930 42.059 -0.368 0.000 1.270 984 L HN 0.323 nan 8.230 nan 0.000 0.415 985 N N 6.943 125.550 118.700 -0.156 0.000 2.442 985 N HA 0.452 5.191 4.740 -0.000 0.000 0.274 985 N C -1.273 174.108 175.510 -0.216 0.000 1.002 985 N CA -0.343 52.606 53.050 -0.169 0.000 0.910 985 N CB 2.244 40.655 38.487 -0.127 0.000 1.244 985 N HN 0.487 nan 8.380 nan 0.000 0.492 986 I N 1.837 122.223 120.570 -0.306 0.000 2.354 986 I HA 0.265 4.435 4.170 -0.000 0.000 0.286 986 I C -0.457 175.470 176.117 -0.316 0.000 1.007 986 I CA -0.451 60.625 61.300 -0.373 0.000 1.167 986 I CB 1.393 39.029 38.000 -0.606 0.000 1.320 986 I HN 0.170 nan 8.210 nan 0.000 0.458 987 D N 4.549 124.804 120.400 -0.241 0.000 2.217 987 D HA 0.316 4.956 4.640 -0.000 0.000 0.243 987 D C 1.070 177.087 176.300 -0.471 0.000 1.054 987 D CA -0.221 53.583 54.000 -0.327 0.000 0.838 987 D CB 2.592 43.294 40.800 -0.164 0.000 1.162 987 D HN 0.693 nan 8.370 nan 0.000 0.472 988 G N 1.216 109.463 108.800 -0.922 0.000 2.408 988 G HA2 0.018 3.978 3.960 -0.000 0.000 0.215 988 G HA3 0.018 3.978 3.960 -0.000 0.000 0.215 988 G C 0.063 174.156 174.900 -1.345 0.000 1.156 988 G CA 0.568 44.881 45.100 -1.311 0.000 0.793 988 G HN 0.385 nan 8.290 nan 0.000 0.535 989 F N -1.919 117.822 119.950 -0.348 0.000 2.654 989 F HA 0.545 5.072 4.527 -0.000 0.000 0.308 989 F C -0.666 175.026 175.800 -0.179 0.000 1.108 989 F CA -1.259 56.618 58.000 -0.205 0.000 0.957 989 F CB 1.904 40.725 39.000 -0.297 0.000 1.309 989 F HN -0.072 nan 8.300 nan 0.000 0.446 990 H N 2.404 121.480 119.070 0.012 0.000 2.865 990 H HA 0.420 4.976 4.556 -0.000 0.000 0.362 990 H C -1.143 174.203 175.328 0.029 0.000 1.114 990 H CA -0.719 55.309 56.048 -0.034 0.000 1.208 990 H CB 2.489 32.210 29.762 -0.068 0.000 1.727 990 H HN 0.837 nan 8.280 nan 0.000 0.534 991 M N 2.425 122.001 119.600 -0.040 0.000 2.245 991 M HA 0.265 4.745 4.480 -0.000 0.000 0.330 991 M C 0.584 177.001 176.300 0.195 0.000 1.098 991 M CA 0.278 55.611 55.300 0.054 0.000 1.172 991 M CB 0.383 32.916 32.600 -0.112 0.000 1.467 991 M HN 0.744 nan 8.290 nan 0.000 0.454 992 G N 2.368 111.248 108.800 0.134 0.000 2.683 992 G HA2 0.331 4.291 3.960 -0.000 0.000 0.260 992 G HA3 0.331 4.291 3.960 -0.000 0.000 0.260 992 G C 0.542 175.414 174.900 -0.047 0.000 1.238 992 G CA -0.331 44.771 45.100 0.004 0.000 0.934 992 G HN 0.962 nan 8.290 nan 0.000 0.534 993 I N -2.706 117.785 120.570 -0.132 0.000 3.939 993 I HA 0.453 4.623 4.170 -0.000 0.000 0.313 993 I C 1.150 177.191 176.117 -0.125 0.000 1.274 993 I CA 0.505 61.701 61.300 -0.174 0.000 1.301 993 I CB -0.326 37.483 38.000 -0.319 0.000 1.105 993 I HN 0.969 nan 8.210 nan 0.000 0.427 994 G N 1.623 110.369 108.800 -0.090 0.000 2.598 994 G HA2 0.055 4.015 3.960 -0.000 0.000 0.244 994 G HA3 0.055 4.015 3.960 -0.000 0.000 0.244 994 G C 0.576 175.466 174.900 -0.016 0.000 1.302 994 G CA 0.105 45.192 45.100 -0.022 0.000 0.903 994 G HN 1.414 nan 8.290 nan 0.000 0.575 995 G N -2.251 106.554 108.800 0.008 0.000 2.370 995 G HA2 0.023 3.983 3.960 -0.000 0.000 0.174 995 G HA3 0.023 3.983 3.960 -0.000 0.000 0.174 995 G C 0.605 175.548 174.900 0.072 0.000 1.002 995 G CA 0.934 46.047 45.100 0.021 0.000 0.730 995 G HN 0.990 nan 8.290 nan 0.000 0.497 996 D N 1.176 121.633 120.400 0.095 0.000 2.221 996 D HA 0.132 4.772 4.640 -0.000 0.000 0.204 996 D C 0.958 177.276 176.300 0.031 0.000 0.982 996 D CA 2.079 56.192 54.000 0.188 0.000 0.857 996 D CB 0.148 41.073 40.800 0.209 0.000 0.934 996 D HN 0.836 nan 8.370 nan 0.000 0.475 997 D N -3.526 116.694 120.400 -0.300 0.000 2.653 997 D HA 0.247 4.887 4.640 -0.000 0.000 0.258 997 D C -0.855 174.929 176.300 -0.860 0.000 1.252 997 D CA -0.735 52.668 54.000 -0.995 0.000 0.777 997 D CB 0.740 40.506 40.800 -1.722 0.000 1.339 997 D HN -0.292 nan 8.370 nan 0.000 0.422 998 S N -0.180 114.809 115.700 -1.185 0.000 2.588 998 S HA 0.258 4.728 4.470 -0.000 0.000 0.245 998 S C -0.504 174.162 174.600 0.109 0.000 1.021 998 S CA -0.642 57.403 58.200 -0.258 0.000 1.006 998 S CB -0.600 62.683 63.200 0.139 0.000 0.830 998 S HN 0.615 nan 8.310 nan 0.000 0.468 999 W N 0.922 122.168 121.300 -0.090 0.000 2.036 999 W HA 0.543 5.203 4.660 -0.000 0.000 0.298 999 W C -0.036 176.443 176.519 -0.066 0.000 0.885 999 W CA -0.563 56.739 57.345 -0.072 0.000 1.488 999 W CB -0.545 28.812 29.460 -0.172 0.000 1.079 999 W HN 0.171 nan 8.180 nan 0.000 0.506 1000 S N -1.005 114.611 115.700 -0.140 0.000 2.596 1000 S HA 0.659 5.129 4.470 -0.000 0.000 0.270 1000 S C -3.156 171.395 174.600 -0.082 0.000 1.155 1000 S CA -1.660 56.488 58.200 -0.087 0.000 0.827 1000 S CB 1.739 64.899 63.200 -0.066 0.000 1.130 1000 S HN -0.204 nan 8.310 nan 0.000 0.467 1001 P HA 0.248 nan 4.420 nan 0.000 0.266 1001 P C 0.228 177.577 177.300 0.082 0.000 1.215 1001 P CA -0.129 63.004 63.100 0.054 0.000 0.763 1001 P CB 0.687 32.333 31.700 -0.091 0.000 0.806 1002 S N 0.688 116.462 115.700 0.124 0.000 2.819 1002 S HA 0.163 4.633 4.470 -0.000 0.000 0.249 1002 S C 0.206 174.884 174.600 0.131 0.000 1.030 1002 S CA -0.363 57.885 58.200 0.080 0.000 1.052 1002 S CB -0.263 62.934 63.200 -0.005 0.000 1.017 1002 S HN 0.117 nan 8.310 nan 0.000 0.576 1003 V N 4.231 124.267 119.914 0.202 0.000 2.408 1003 V HA 0.414 4.534 4.120 -0.000 0.000 0.267 1003 V C 0.784 177.037 176.094 0.265 0.000 1.047 1003 V CA -0.475 61.942 62.300 0.195 0.000 0.937 1003 V CB 0.635 32.532 31.823 0.123 0.000 0.999 1003 V HN 0.650 nan 8.190 nan 0.000 0.472 1004 S N 4.439 120.324 115.700 0.308 0.000 2.579 1004 S HA 0.332 4.802 4.470 -0.000 0.000 0.275 1004 S C 1.495 176.241 174.600 0.243 0.000 1.345 1004 S CA -0.016 58.348 58.200 0.273 0.000 1.031 1004 S CB 1.302 64.630 63.200 0.212 0.000 0.892 1004 S HN 1.044 nan 8.310 nan 0.000 0.529 1005 A N 1.916 124.823 122.820 0.145 0.000 1.917 1005 A HA -0.189 4.131 4.320 -0.000 0.000 0.219 1005 A C 1.907 179.491 177.584 0.001 0.000 1.182 1005 A CA 1.978 54.078 52.037 0.105 0.000 0.633 1005 A CB -1.227 17.816 19.000 0.072 0.000 0.819 1005 A HN 0.962 nan 8.150 nan 0.000 0.448 1006 E N -1.050 119.055 120.200 -0.158 0.000 2.396 1006 E HA -0.117 4.233 4.350 -0.000 0.000 0.200 1006 E C 0.716 176.993 176.600 -0.537 0.000 1.023 1006 E CA 1.050 57.214 56.400 -0.393 0.000 0.857 1006 E CB -0.366 28.887 29.700 -0.745 0.000 0.775 1006 E HN 0.794 nan 8.360 nan 0.000 0.525 1007 F N 0.550 120.546 119.950 0.078 0.000 2.654 1007 F HA 0.218 4.745 4.527 -0.000 0.000 0.303 1007 F C 0.545 176.379 175.800 0.057 0.000 1.099 1007 F CA -0.521 57.524 58.000 0.075 0.000 1.270 1007 F CB 0.435 39.479 39.000 0.073 0.000 1.024 1007 F HN -0.168 nan 8.300 nan 0.000 0.548 1008 Q N 1.326 121.238 119.800 0.186 0.000 2.230 1008 Q HA 0.416 4.756 4.340 -0.000 0.000 0.248 1008 Q C -0.227 175.798 176.000 0.043 0.000 0.915 1008 Q CA -0.568 55.321 55.803 0.144 0.000 0.900 1008 Q CB 2.050 30.957 28.738 0.281 0.000 1.229 1008 Q HN 0.259 nan 8.270 nan 0.000 0.439 1009 L N 2.421 123.648 121.223 0.007 0.000 2.399 1009 L HA 0.113 4.453 4.340 -0.000 0.000 0.257 1009 L C 0.670 177.456 176.870 -0.140 0.000 1.236 1009 L CA -0.065 54.754 54.840 -0.036 0.000 1.144 1009 L CB -0.303 41.648 42.059 -0.180 0.000 1.379 1009 L HN 0.696 nan 8.230 nan 0.000 0.414 1010 S N -0.986 114.567 115.700 -0.245 0.000 2.568 1010 S HA 0.158 4.628 4.470 -0.000 0.000 0.232 1010 S C 1.568 176.084 174.600 -0.140 0.000 0.975 1010 S CA 0.161 58.061 58.200 -0.500 0.000 0.949 1010 S CB 0.741 63.632 63.200 -0.515 0.000 0.829 1010 S HN 0.524 nan 8.310 nan 0.000 0.479 1011 A N 1.363 124.144 122.820 -0.064 0.000 2.119 1011 A HA 0.490 4.810 4.320 -0.000 0.000 0.217 1011 A C 2.069 179.502 177.584 -0.251 0.000 1.153 1011 A CA 1.070 52.950 52.037 -0.262 0.000 0.692 1011 A CB -1.177 17.474 19.000 -0.581 0.000 0.799 1011 A HN 1.478 nan 8.150 nan 0.000 0.458 1012 G N -1.425 107.311 108.800 -0.106 0.000 2.417 1012 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.233 1012 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.233 1012 G C 0.434 175.297 174.900 -0.061 0.000 1.103 1012 G CA 0.387 45.475 45.100 -0.021 0.000 0.647 1012 G HN 0.660 nan 8.290 nan 0.000 0.512 1013 R N -0.598 119.705 120.500 -0.328 0.000 2.574 1013 R HA 0.645 4.985 4.340 -0.000 0.000 0.288 1013 R C -1.643 174.335 176.300 -0.538 0.000 1.004 1013 R CA -0.582 55.383 56.100 -0.226 0.000 0.895 1013 R CB 1.593 31.826 30.300 -0.112 0.000 1.191 1013 R HN 0.231 nan 8.270 nan 0.000 0.444 1014 Y N 0.314 120.617 120.300 0.005 0.000 2.477 1014 Y HA 0.345 4.895 4.550 -0.000 0.000 0.347 1014 Y C -0.378 175.686 175.900 0.273 0.000 0.981 1014 Y CA -0.853 57.235 58.100 -0.020 0.000 1.033 1014 Y CB 2.259 40.581 38.460 -0.231 0.000 1.245 1014 Y HN 0.581 nan 8.280 nan 0.000 0.455 1015 H N 2.718 122.070 119.070 0.471 0.000 2.679 1015 H HA 0.610 5.166 4.556 -0.000 0.000 0.360 1015 H C -1.716 173.978 175.328 0.610 0.000 1.105 1015 H CA -0.923 55.374 56.048 0.416 0.000 1.196 1015 H CB 1.212 31.115 29.762 0.235 0.000 1.636 1015 H HN 0.585 nan 8.280 nan 0.000 0.531 1016 Y N 1.192 121.278 120.300 -0.357 0.000 2.638 1016 Y HA 0.583 5.133 4.550 -0.000 0.000 0.335 1016 Y C -1.911 173.795 175.900 -0.324 0.000 1.155 1016 Y CA -1.082 56.889 58.100 -0.215 0.000 1.046 1016 Y CB 1.435 39.855 38.460 -0.068 0.000 1.303 1016 Y HN 0.661 nan 8.280 nan 0.000 0.460 1017 Q N 2.318 122.084 119.800 -0.056 0.000 2.418 1017 Q HA 0.811 5.151 4.340 -0.000 0.000 0.282 1017 Q C -1.810 174.255 176.000 0.108 0.000 1.044 1017 Q CA -0.992 54.774 55.803 -0.061 0.000 0.813 1017 Q CB 3.581 32.336 28.738 0.028 0.000 1.428 1017 Q HN 0.743 nan 8.270 nan 0.000 0.402 1018 L N 0.188 121.464 121.223 0.087 0.000 2.479 1018 L HA 0.762 5.102 4.340 -0.000 0.000 0.255 1018 L C -1.191 175.787 176.870 0.181 0.000 1.026 1018 L CA -1.216 53.720 54.840 0.160 0.000 0.842 1018 L CB 2.495 44.630 42.059 0.128 0.000 1.444 1018 L HN 0.345 nan 8.230 nan 0.000 0.409 1019 V N 0.288 120.342 119.914 0.233 0.000 2.531 1019 V HA 0.463 4.583 4.120 -0.000 0.000 0.301 1019 V C -1.106 175.173 176.094 0.309 0.000 1.034 1019 V CA -0.392 62.056 62.300 0.246 0.000 0.865 1019 V CB 2.038 33.979 31.823 0.197 0.000 0.995 1019 V HN 0.607 nan 8.190 nan 0.000 0.424 1023 K N 0.000 120.352 120.400 -0.081 0.000 2.780 1023 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 1023 K CA 0.000 56.253 56.287 -0.057 0.000 0.838 1023 K CB 0.000 32.473 32.500 -0.044 0.000 1.064 1023 K HN 0.000 nan 8.250 nan 0.000 0.543